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 1gn9_1_A DATA FIRST_RESID 1 DATA SEQUENCE SNAMFCYQCQ ETVGNKGCTQ VGVCGKKPET AALQDALIYV TKGLGQIATR DATA SEQUENCE LRAEGKAVDH RIDRLVTGNL FATITNANFD DDILAERVRM TCAAKKELAA DATA SEQUENCE SLTDKSGLSD AALWEASEKS AMLAKAGTVG VMATTDDDVR SLRWLITFGL DATA SEQUENCE KGMAAYAKHA DVLGKHENSL DAFMQEALAK TLDDSLSVAD LVALTLETGK DATA SEQUENCE FGVSAMALLD AANTGTYGHP EITKVNIGVG SNPGILISGH DLRDLEMLLK DATA SEQUENCE QTEGTGVDVY THSEMLPAHY YPAFKKYAHF KGNYGNAWWK QKEEFESFNG DATA SEQUENCE PVLLTTNCLV PPKDSYKDRV YTTGIVGFTG CKHIPGEIGE HKDFSAIIAH DATA SEQUENCE AKTCPAPTEI ESGEIIGGFA HNQVLALADK VIDAVKSGAI KKFVVMAGXD DATA SEQUENCE GRAKSRSYYT DFAEGLPKDT VILTAGCAKY RYNKLNLGDI GGIPRVLDAG DATA SEQUENCE QCNDSYSLAV IALKLKEVFG LEDVNDLPIV YNIAWYEQKA VIVLLALLSL DATA SEQUENCE GVKNIHLGPT LPAFLSPNVA KVLVEQFNIG GITSPQDDLK AFF 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.598 174.600 -0.003 0.000 1.055 1 S CA 0.000 58.192 58.200 -0.014 0.000 1.107 1 S CB 0.000 63.190 63.200 -0.017 0.000 0.593 2 N N 1.095 119.794 118.700 -0.002 0.000 2.498 2 N HA 0.491 5.135 4.740 -0.160 0.000 0.287 2 N C 0.768 176.285 175.510 0.013 0.000 1.097 2 N CA -0.269 52.793 53.050 0.021 0.000 0.973 2 N CB 1.475 39.995 38.487 0.056 0.000 1.153 2 N HN 0.735 nan 8.380 nan 0.000 0.472 3 A N 1.734 124.563 122.820 0.016 0.000 2.123 3 A HA 0.089 4.313 4.320 -0.160 0.000 0.214 3 A C 0.753 178.342 177.584 0.008 0.000 1.152 3 A CA 0.991 53.032 52.037 0.007 0.000 0.728 3 A CB -0.305 18.700 19.000 0.008 0.000 0.814 3 A HN 0.806 nan 8.150 nan 0.000 0.464 4 M N -5.160 114.453 119.600 0.022 0.000 2.949 4 M HA 0.721 5.105 4.480 -0.160 0.000 0.270 4 M C -1.939 174.408 176.300 0.077 0.000 1.221 4 M CA -0.764 54.548 55.300 0.020 0.000 0.818 4 M CB 1.571 34.164 32.600 -0.011 0.000 1.635 4 M HN 0.035 nan 8.290 nan 0.000 0.492 5 F N 1.541 121.414 119.950 -0.128 0.000 2.839 5 F HA 0.699 5.132 4.527 -0.157 0.000 0.344 5 F C -1.992 173.674 175.800 -0.223 0.000 1.242 5 F CA -0.581 57.308 58.000 -0.185 0.000 1.091 5 F CB 1.604 40.456 39.000 -0.248 0.000 1.374 5 F HN 1.052 nan 8.300 nan 0.000 0.553 6 C N 7.569 126.393 119.300 -0.792 0.000 2.701 6 C HA 0.605 4.969 4.460 -0.160 0.000 0.336 6 C C -0.767 173.970 174.990 -0.422 0.000 1.123 6 C CA -0.323 58.411 59.018 -0.474 0.000 1.326 6 C CB 0.688 28.290 27.740 -0.231 0.000 1.833 6 C HN 0.903 nan 8.230 nan 0.000 0.473 7 Y N 3.861 123.963 120.300 -0.330 0.000 2.750 7 Y HA 0.249 4.704 4.550 -0.159 0.000 0.247 7 Y C 1.274 177.237 175.900 0.105 0.000 1.098 7 Y CA -0.377 57.649 58.100 -0.123 0.000 1.120 7 Y CB -0.466 37.965 38.460 -0.048 0.000 1.210 7 Y HN 0.760 nan 8.280 nan 0.000 0.601 8 Q N 1.098 120.901 119.800 0.005 0.000 2.369 8 Q HA 0.064 4.308 4.340 -0.160 0.000 0.206 8 Q C 0.907 176.797 176.000 -0.183 0.000 0.963 8 Q CA 0.823 56.298 55.803 -0.547 0.000 0.894 8 Q CB 0.150 28.192 28.738 -1.160 0.000 0.965 8 Q HN 0.524 nan 8.270 nan 0.000 0.475 9 C N -1.221 117.986 119.300 -0.155 0.000 2.486 9 C HA 0.360 4.724 4.460 -0.160 0.000 0.348 9 C C 1.520 176.305 174.990 -0.343 0.000 1.203 9 C CA -0.749 58.058 59.018 -0.353 0.000 1.911 9 C CB 2.162 29.523 27.740 -0.632 0.000 2.340 9 C HN 0.435 nan 8.230 nan 0.000 0.511 10 Q N 0.719 120.000 119.800 -0.864 0.000 2.226 10 Q HA -0.120 4.124 4.340 -0.160 0.000 0.204 10 Q C 1.473 177.335 176.000 -0.230 0.000 0.975 10 Q CA 1.977 57.312 55.803 -0.781 0.000 0.866 10 Q CB -0.105 27.824 28.738 -1.348 0.000 0.915 10 Q HN 0.937 nan 8.270 nan 0.000 0.440 11 E N 0.456 120.591 120.200 -0.107 0.000 2.476 11 E HA 0.026 4.280 4.350 -0.160 0.000 0.191 11 E C 0.118 176.722 176.600 0.007 0.000 1.064 11 E CA -0.182 56.225 56.400 0.011 0.000 0.866 11 E CB 0.044 29.825 29.700 0.135 0.000 0.952 11 E HN 0.117 nan 8.360 nan 0.000 0.492 12 T N 1.268 115.815 114.554 -0.012 0.000 2.923 12 T HA -0.064 4.190 4.350 -0.160 0.000 0.304 12 T C 0.467 175.176 174.700 0.015 0.000 1.044 12 T CA -0.206 61.895 62.100 0.003 0.000 1.141 12 T CB 0.391 69.286 68.868 0.044 0.000 1.023 12 T HN -0.138 nan 8.240 nan 0.000 0.533 13 V N 5.990 125.905 119.914 0.001 0.000 2.539 13 V HA 0.184 4.208 4.120 -0.160 0.000 0.294 13 V C 1.787 177.899 176.094 0.031 0.000 0.994 13 V CA 1.088 63.395 62.300 0.012 0.000 1.169 13 V CB -0.394 31.431 31.823 0.003 0.000 0.898 13 V HN 1.306 nan 8.190 nan 0.000 0.471 14 G N 5.127 113.947 108.800 0.033 0.000 2.168 14 G HA2 -0.372 3.492 3.960 -0.160 0.000 0.257 14 G HA3 -0.372 3.492 3.960 -0.160 0.000 0.257 14 G C 0.581 175.515 174.900 0.056 0.000 0.997 14 G CA 0.705 45.830 45.100 0.042 0.000 0.708 14 G HN 1.490 nan 8.290 nan 0.000 0.520 15 N N -2.825 115.910 118.700 0.058 0.000 2.708 15 N HA -0.181 4.463 4.740 -0.160 0.000 0.249 15 N C 1.208 176.784 175.510 0.110 0.000 1.097 15 N CA 3.176 56.272 53.050 0.076 0.000 0.710 15 N CB -1.240 37.287 38.487 0.065 0.000 1.032 15 N HN 1.761 nan 8.380 nan 0.000 0.551 16 K N -1.091 119.386 120.400 0.129 0.000 2.550 16 K HA 0.655 4.879 4.320 -0.160 0.000 0.205 16 K C 0.985 177.722 176.600 0.229 0.000 1.429 16 K CA 1.118 57.523 56.287 0.197 0.000 0.997 16 K CB 0.464 33.058 32.500 0.156 0.000 1.328 16 K HN 1.154 nan 8.250 nan 0.000 0.546 17 G N -1.034 107.803 108.800 0.062 0.000 2.329 17 G HA2 0.335 4.199 3.960 -0.160 0.000 0.308 17 G HA3 0.335 4.199 3.960 -0.160 0.000 0.308 17 G C -1.209 173.553 174.900 -0.230 0.000 1.587 17 G CA -0.242 44.715 45.100 -0.239 0.000 0.978 17 G HN 0.552 nan 8.290 nan 0.000 0.685 18 C N 1.728 120.818 119.300 -0.351 0.000 2.265 18 C HA 0.654 5.018 4.460 -0.160 0.000 0.332 18 C C 1.807 176.694 174.990 -0.172 0.000 1.248 18 C CA 0.328 59.235 59.018 -0.184 0.000 1.727 18 C CB 0.015 27.674 27.740 -0.136 0.000 2.348 18 C HN 1.015 nan 8.230 nan 0.000 0.519 19 T N -0.275 114.253 114.554 -0.043 0.000 2.990 19 T HA 0.058 4.312 4.350 -0.160 0.000 0.249 19 T C 1.166 175.877 174.700 0.018 0.000 1.039 19 T CA 0.459 62.575 62.100 0.027 0.000 1.036 19 T CB 0.143 69.062 68.868 0.085 0.000 0.994 19 T HN 0.688 nan 8.240 nan 0.000 0.489 20 Q N 0.116 119.922 119.800 0.009 0.000 2.499 20 Q HA 0.411 4.655 4.340 -0.160 0.000 0.213 20 Q C -0.389 175.619 176.000 0.013 0.000 0.929 20 Q CA 0.369 56.179 55.803 0.013 0.000 0.904 20 Q CB 1.216 29.963 28.738 0.016 0.000 1.052 20 Q HN 0.277 nan 8.270 nan 0.000 0.589 21 V N 0.154 120.076 119.914 0.013 0.000 2.817 21 V HA 0.394 4.418 4.120 -0.160 0.000 0.303 21 V C -0.325 175.786 176.094 0.027 0.000 1.151 21 V CA -1.003 61.313 62.300 0.027 0.000 0.929 21 V CB 1.649 33.495 31.823 0.038 0.000 1.030 21 V HN 0.342 nan 8.190 nan 0.000 0.427 22 G N 1.871 110.694 108.800 0.039 0.000 2.491 22 G HA2 0.347 4.211 3.960 -0.160 0.000 0.238 22 G HA3 0.347 4.211 3.960 -0.160 0.000 0.238 22 G C 1.060 176.005 174.900 0.076 0.000 1.277 22 G CA 0.030 45.156 45.100 0.043 0.000 0.851 22 G HN 0.683 nan 8.290 nan 0.000 0.573 23 V N 1.868 121.823 119.914 0.068 0.000 2.490 23 V HA -0.264 3.760 4.120 -0.160 0.000 0.250 23 V C 3.124 179.303 176.094 0.143 0.000 1.061 23 V CA 2.082 64.435 62.300 0.088 0.000 1.064 23 V CB -0.972 30.898 31.823 0.079 0.000 0.670 23 V HN 1.046 nan 8.190 nan 0.000 0.461 24 C N 0.223 119.632 119.300 0.181 0.000 2.419 24 C HA 0.308 4.672 4.460 -0.160 0.000 0.283 24 C C 2.157 177.327 174.990 0.301 0.000 1.373 24 C CA 0.291 59.474 59.018 0.275 0.000 1.781 24 C CB -0.977 26.931 27.740 0.280 0.000 1.886 24 C HN 0.882 nan 8.230 nan 0.000 0.520 25 G N 0.050 109.000 108.800 0.250 0.000 2.229 25 G HA2 -0.173 3.691 3.960 -0.160 0.000 0.189 25 G HA3 -0.173 3.691 3.960 -0.160 0.000 0.189 25 G C 0.079 175.166 174.900 0.313 0.000 1.000 25 G CA 0.124 45.359 45.100 0.225 0.000 0.663 25 G HN 0.778 nan 8.290 nan 0.000 0.493 26 K N 1.794 122.421 120.400 0.378 0.000 2.436 26 K HA 0.329 4.553 4.320 -0.160 0.000 0.282 26 K C 0.491 177.180 176.600 0.148 0.000 1.044 26 K CA 0.115 56.577 56.287 0.291 0.000 1.028 26 K CB 0.184 32.750 32.500 0.109 0.000 0.919 26 K HN 0.291 nan 8.250 nan 0.000 0.474 27 K N 5.090 125.567 120.400 0.130 0.000 2.154 27 K HA 0.095 4.319 4.320 -0.160 0.000 0.264 27 K C -1.882 174.738 176.600 0.034 0.000 1.008 27 K CA -1.903 54.425 56.287 0.068 0.000 0.937 27 K CB 0.749 33.282 32.500 0.056 0.000 1.002 27 K HN 0.373 nan 8.250 nan 0.000 0.469 28 P HA -0.267 nan 4.420 nan 0.000 0.217 28 P C 0.606 177.907 177.300 0.002 0.000 1.162 28 P CA 1.577 64.681 63.100 0.007 0.000 0.901 28 P CB 0.225 31.930 31.700 0.008 0.000 0.793 29 E N -1.510 118.692 120.200 0.004 0.000 2.106 29 E HA -0.118 4.136 4.350 -0.160 0.000 0.192 29 E C 1.882 178.481 176.600 -0.002 0.000 0.984 29 E CA 1.401 57.802 56.400 0.001 0.000 0.806 29 E CB -0.452 29.248 29.700 0.000 0.000 0.750 29 E HN 0.266 nan 8.360 nan 0.000 0.458 30 T N 0.576 115.130 114.554 -0.001 0.000 2.746 30 T HA -0.134 4.120 4.350 -0.160 0.000 0.267 30 T C 1.926 176.612 174.700 -0.023 0.000 1.039 30 T CA 1.171 63.264 62.100 -0.012 0.000 1.142 30 T CB -0.149 68.720 68.868 0.001 0.000 0.866 30 T HN 0.218 nan 8.240 nan 0.000 0.444 31 A N 1.095 123.903 122.820 -0.020 0.000 2.015 31 A HA 0.291 4.515 4.320 -0.160 0.000 0.219 31 A C 2.539 180.112 177.584 -0.019 0.000 1.163 31 A CA 1.538 53.557 52.037 -0.030 0.000 0.646 31 A CB -0.793 18.186 19.000 -0.036 0.000 0.806 31 A HN 0.495 nan 8.150 nan 0.000 0.448 32 A N -0.129 122.683 122.820 -0.013 0.000 1.872 32 A HA 0.053 4.277 4.320 -0.160 0.000 0.214 32 A C 2.089 179.675 177.584 0.003 0.000 1.187 32 A CA 1.253 53.283 52.037 -0.012 0.000 0.614 32 A CB -0.556 18.437 19.000 -0.011 0.000 0.826 32 A HN 0.436 nan 8.150 nan 0.000 0.442 33 L N -0.729 120.500 121.223 0.010 0.000 2.131 33 L HA -0.251 3.993 4.340 -0.160 0.000 0.210 33 L C 2.837 179.727 176.870 0.033 0.000 1.092 33 L CA 1.458 56.315 54.840 0.027 0.000 0.759 33 L CB -0.451 41.617 42.059 0.016 0.000 0.903 33 L HN 0.499 nan 8.230 nan 0.000 0.435 34 Q N -0.558 119.251 119.800 0.016 0.000 2.172 34 Q HA -0.181 4.063 4.340 -0.160 0.000 0.200 34 Q C 1.593 177.633 176.000 0.067 0.000 0.964 34 Q CA 1.106 56.925 55.803 0.026 0.000 0.855 34 Q CB 0.084 28.818 28.738 -0.007 0.000 0.918 34 Q HN 0.455 nan 8.270 nan 0.000 0.444 35 D N -0.080 120.351 120.400 0.053 0.000 2.224 35 D HA -0.062 4.482 4.640 -0.160 0.000 0.205 35 D C 1.500 177.852 176.300 0.087 0.000 0.965 35 D CA 0.942 54.989 54.000 0.078 0.000 0.852 35 D CB 0.137 40.946 40.800 0.015 0.000 0.947 35 D HN 0.235 nan 8.370 nan 0.000 0.494 36 A N 0.502 123.363 122.820 0.069 0.000 1.903 36 A HA -0.037 4.187 4.320 -0.160 0.000 0.213 36 A C 2.074 179.772 177.584 0.189 0.000 1.185 36 A CA 0.424 52.524 52.037 0.105 0.000 0.628 36 A CB -0.537 18.532 19.000 0.114 0.000 0.830 36 A HN 0.201 nan 8.150 nan 0.000 0.446 37 L N -0.041 121.267 121.223 0.143 0.000 2.042 37 L HA -0.150 4.094 4.340 -0.160 0.000 0.210 37 L C 2.028 178.974 176.870 0.126 0.000 1.076 37 L CA 1.661 56.576 54.840 0.124 0.000 0.749 37 L CB -0.333 41.773 42.059 0.080 0.000 0.893 37 L HN 0.317 nan 8.230 nan 0.000 0.432 38 I N -1.559 119.099 120.570 0.146 0.000 2.252 38 I HA -0.273 3.801 4.170 -0.160 0.000 0.245 38 I C 2.401 178.609 176.117 0.151 0.000 1.102 38 I CA 1.255 62.641 61.300 0.144 0.000 1.385 38 I CB -1.294 36.831 38.000 0.208 0.000 1.064 38 I HN 0.337 nan 8.210 nan 0.000 0.414 39 Y N 2.399 122.727 120.300 0.046 0.000 2.070 39 Y HA -0.256 4.197 4.550 -0.162 0.000 0.280 39 Y C 2.632 178.552 175.900 0.032 0.000 1.148 39 Y CA 2.525 60.633 58.100 0.013 0.000 1.125 39 Y CB -0.683 37.759 38.460 -0.030 0.000 0.975 39 Y HN 0.062 nan 8.280 nan 0.000 0.492 40 V N -3.108 116.883 119.914 0.128 0.000 2.594 40 V HA -0.214 3.810 4.120 -0.160 0.000 0.253 40 V C 1.942 178.030 176.094 -0.010 0.000 1.069 40 V CA 2.335 64.671 62.300 0.062 0.000 1.082 40 V CB -1.544 30.412 31.823 0.222 0.000 0.680 40 V HN 0.454 nan 8.190 nan 0.000 0.469 41 T N 0.178 114.736 114.554 0.007 0.000 2.812 41 T HA -0.095 4.159 4.350 -0.160 0.000 0.264 41 T C 1.900 176.556 174.700 -0.074 0.000 1.042 41 T CA 1.940 64.026 62.100 -0.022 0.000 1.140 41 T CB -0.257 68.609 68.868 -0.002 0.000 0.870 41 T HN 0.553 nan 8.240 nan 0.000 0.445 42 K N 0.589 120.930 120.400 -0.098 0.000 2.097 42 K HA -0.028 4.196 4.320 -0.160 0.000 0.206 42 K C 2.593 179.090 176.600 -0.171 0.000 1.049 42 K CA 1.154 57.352 56.287 -0.147 0.000 0.933 42 K CB -0.457 31.944 32.500 -0.164 0.000 0.717 42 K HN 0.359 nan 8.250 nan 0.000 0.442 43 G N 1.629 110.303 108.800 -0.209 0.000 2.440 43 G HA2 -0.251 3.613 3.960 -0.160 0.000 0.218 43 G HA3 -0.251 3.613 3.960 -0.160 0.000 0.218 43 G C 1.408 176.235 174.900 -0.122 0.000 1.154 43 G CA 0.578 45.557 45.100 -0.202 0.000 0.767 43 G HN 0.190 nan 8.290 nan 0.000 0.552 44 L N 1.620 122.786 121.223 -0.094 0.000 2.201 44 L HA 0.233 4.476 4.340 -0.160 0.000 0.212 44 L C 2.643 179.464 176.870 -0.081 0.000 1.105 44 L CA 1.941 56.738 54.840 -0.071 0.000 0.775 44 L CB -0.828 41.199 42.059 -0.053 0.000 0.913 44 L HN 0.132 nan 8.230 nan 0.000 0.440 45 G N -1.077 107.662 108.800 -0.102 0.000 2.402 45 G HA2 -0.318 3.546 3.960 -0.160 0.000 0.216 45 G HA3 -0.318 3.546 3.960 -0.160 0.000 0.216 45 G C 1.467 176.299 174.900 -0.113 0.000 1.162 45 G CA 0.705 45.735 45.100 -0.116 0.000 0.777 45 G HN 0.553 nan 8.290 nan 0.000 0.539 46 Q N -0.111 119.621 119.800 -0.113 0.000 2.124 46 Q HA -0.048 4.196 4.340 -0.160 0.000 0.202 46 Q C 2.513 178.467 176.000 -0.076 0.000 0.977 46 Q CA 1.012 56.755 55.803 -0.099 0.000 0.850 46 Q CB -0.200 28.477 28.738 -0.101 0.000 0.901 46 Q HN 0.561 nan 8.270 nan 0.000 0.429 47 I N 0.795 121.323 120.570 -0.069 0.000 2.163 47 I HA -0.246 3.828 4.170 -0.160 0.000 0.240 47 I C 2.523 178.612 176.117 -0.047 0.000 1.081 47 I CA 1.020 62.288 61.300 -0.053 0.000 1.353 47 I CB -0.499 37.472 38.000 -0.048 0.000 1.054 47 I HN 0.267 nan 8.210 nan 0.000 0.407 48 A N 0.262 123.052 122.820 -0.051 0.000 1.940 48 A HA -0.220 4.004 4.320 -0.160 0.000 0.219 48 A C 2.362 179.921 177.584 -0.042 0.000 1.176 48 A CA 2.528 54.540 52.037 -0.042 0.000 0.631 48 A CB -1.085 17.888 19.000 -0.046 0.000 0.814 48 A HN 0.421 nan 8.150 nan 0.000 0.446 49 T N -0.635 113.885 114.554 -0.057 0.000 2.812 49 T HA -0.079 4.175 4.350 -0.160 0.000 0.264 49 T C 2.098 176.774 174.700 -0.041 0.000 1.042 49 T CA 1.086 63.152 62.100 -0.056 0.000 1.140 49 T CB -0.188 68.633 68.868 -0.079 0.000 0.870 49 T HN 0.376 nan 8.240 nan 0.000 0.445 50 R N 0.809 121.284 120.500 -0.041 0.000 2.096 50 R HA 0.089 4.333 4.340 -0.160 0.000 0.235 50 R C 2.437 178.723 176.300 -0.023 0.000 1.127 50 R CA 0.799 56.881 56.100 -0.031 0.000 0.968 50 R CB -0.900 29.380 30.300 -0.033 0.000 0.861 50 R HN 0.405 nan 8.270 nan 0.000 0.440 51 L N 0.267 121.477 121.223 -0.023 0.000 2.017 51 L HA -0.165 4.079 4.340 -0.160 0.000 0.208 51 L C 2.658 179.522 176.870 -0.010 0.000 1.073 51 L CA 1.436 56.266 54.840 -0.015 0.000 0.745 51 L CB -0.331 41.719 42.059 -0.015 0.000 0.894 51 L HN 0.148 nan 8.230 nan 0.000 0.432 52 R N -0.264 120.230 120.500 -0.010 0.000 2.120 52 R HA -0.120 4.124 4.340 -0.160 0.000 0.234 52 R C 2.324 178.623 176.300 -0.002 0.000 1.123 52 R CA 1.214 57.312 56.100 -0.003 0.000 0.975 52 R CB -0.443 29.856 30.300 -0.002 0.000 0.866 52 R HN 0.343 nan 8.270 nan 0.000 0.446 53 A N 1.397 124.213 122.820 -0.008 0.000 2.015 53 A HA -0.137 4.087 4.320 -0.160 0.000 0.219 53 A C 1.530 179.111 177.584 -0.005 0.000 1.163 53 A CA 1.085 53.118 52.037 -0.006 0.000 0.646 53 A CB -0.115 18.878 19.000 -0.012 0.000 0.806 53 A HN 0.303 nan 8.150 nan 0.000 0.448 54 E N -1.270 118.926 120.200 -0.006 0.000 2.489 54 E HA 0.262 4.515 4.350 -0.160 0.000 0.193 54 E C 1.013 177.612 176.600 -0.001 0.000 1.057 54 E CA 0.231 56.628 56.400 -0.005 0.000 0.866 54 E CB -0.089 29.607 29.700 -0.007 0.000 0.916 54 E HN 0.716 nan 8.360 nan 0.000 0.500 55 G N 2.107 110.908 108.800 0.001 0.000 2.143 55 G HA2 -0.298 3.566 3.960 -0.160 0.000 0.249 55 G HA3 -0.298 3.566 3.960 -0.160 0.000 0.249 55 G C 0.091 174.994 174.900 0.004 0.000 0.981 55 G CA 0.159 45.262 45.100 0.004 0.000 0.665 55 G HN 0.169 nan 8.290 nan 0.000 0.528 56 K N 0.328 120.729 120.400 0.002 0.000 2.098 56 K HA 0.737 4.960 4.320 -0.160 0.000 0.261 56 K C 0.704 177.308 176.600 0.006 0.000 0.987 56 K CA -0.062 56.227 56.287 0.003 0.000 0.916 56 K CB 1.488 33.988 32.500 -0.001 0.000 1.039 56 K HN 0.447 nan 8.250 nan 0.000 0.455 57 A N 1.259 124.084 122.820 0.008 0.000 2.322 57 A HA 0.428 4.652 4.320 -0.160 0.000 0.269 57 A C -0.573 177.018 177.584 0.011 0.000 1.094 57 A CA -0.497 51.549 52.037 0.014 0.000 0.807 57 A CB 0.575 19.586 19.000 0.017 0.000 1.047 57 A HN 0.397 nan 8.150 nan 0.000 0.487 58 V N 3.224 123.149 119.914 0.018 0.000 2.398 58 V HA 0.153 4.177 4.120 -0.160 0.000 0.282 58 V C -0.141 175.971 176.094 0.029 0.000 1.014 58 V CA -0.812 61.496 62.300 0.014 0.000 0.838 58 V CB 1.226 33.054 31.823 0.009 0.000 1.018 58 V HN 1.048 nan 8.190 nan 0.000 0.432 59 D N 2.462 122.876 120.400 0.024 0.000 2.506 59 D HA -0.136 4.408 4.640 -0.160 0.000 0.234 59 D C 1.159 177.489 176.300 0.050 0.000 1.143 59 D CA 0.321 54.344 54.000 0.039 0.000 0.871 59 D CB 0.864 41.676 40.800 0.021 0.000 1.190 59 D HN 0.712 nan 8.370 nan 0.000 0.459 60 H N 4.180 123.220 119.070 -0.051 0.000 2.489 60 H HA -0.130 4.329 4.556 -0.162 0.000 0.295 60 H C 2.027 177.298 175.328 -0.096 0.000 1.082 60 H CA 1.939 57.920 56.048 -0.113 0.000 1.295 60 H CB 0.041 29.673 29.762 -0.217 0.000 1.380 60 H HN 0.486 nan 8.280 nan 0.000 0.548 61 R N -0.030 120.396 120.500 -0.124 0.000 2.127 61 R HA -0.108 4.136 4.340 -0.160 0.000 0.238 61 R C 1.526 177.732 176.300 -0.157 0.000 1.134 61 R CA 1.486 57.492 56.100 -0.158 0.000 0.975 61 R CB -0.110 30.150 30.300 -0.067 0.000 0.865 61 R HN 0.320 nan 8.270 nan 0.000 0.447 62 I N 1.723 122.228 120.570 -0.109 0.000 2.286 62 I HA -0.214 3.860 4.170 -0.160 0.000 0.245 62 I C 1.404 177.457 176.117 -0.107 0.000 1.104 62 I CA 1.332 62.582 61.300 -0.083 0.000 1.397 62 I CB -1.150 36.823 38.000 -0.046 0.000 1.072 62 I HN 0.190 nan 8.210 nan 0.000 0.417 63 D N 0.754 121.073 120.400 -0.135 0.000 2.178 63 D HA -0.170 4.374 4.640 -0.160 0.000 0.201 63 D C 2.286 178.476 176.300 -0.182 0.000 0.980 63 D CA 0.969 54.898 54.000 -0.117 0.000 0.842 63 D CB -0.238 40.557 40.800 -0.007 0.000 0.948 63 D HN 0.358 nan 8.370 nan 0.000 0.472 64 R N -0.219 120.097 120.500 -0.307 0.000 2.119 64 R HA -0.007 4.237 4.340 -0.160 0.000 0.222 64 R C 2.141 178.377 176.300 -0.106 0.000 1.088 64 R CA 0.179 56.146 56.100 -0.221 0.000 0.984 64 R CB -0.187 29.951 30.300 -0.270 0.000 0.884 64 R HN 0.100 nan 8.270 nan 0.000 0.447 65 L N 0.591 121.756 121.223 -0.096 0.000 2.056 65 L HA -0.098 4.146 4.340 -0.160 0.000 0.207 65 L C 1.932 178.781 176.870 -0.035 0.000 1.078 65 L CA 1.563 56.371 54.840 -0.054 0.000 0.749 65 L CB -0.393 41.636 42.059 -0.050 0.000 0.901 65 L HN -0.111 nan 8.230 nan 0.000 0.433 66 V N 0.019 119.906 119.914 -0.044 0.000 2.261 66 V HA -0.329 3.695 4.120 -0.160 0.000 0.246 66 V C 2.761 178.848 176.094 -0.012 0.000 1.047 66 V CA 2.337 64.618 62.300 -0.032 0.000 1.015 66 V CB -1.339 30.457 31.823 -0.045 0.000 0.642 66 V HN 0.750 nan 8.190 nan 0.000 0.446 67 T N -1.225 113.322 114.554 -0.010 0.000 2.720 67 T HA -0.132 4.122 4.350 -0.160 0.000 0.268 67 T C 1.987 176.729 174.700 0.070 0.000 1.037 67 T CA 1.645 63.757 62.100 0.020 0.000 1.144 67 T CB -1.044 67.837 68.868 0.021 0.000 0.864 67 T HN 0.488 nan 8.240 nan 0.000 0.444 68 G N 1.925 110.753 108.800 0.047 0.000 2.440 68 G HA2 -0.248 3.616 3.960 -0.160 0.000 0.218 68 G HA3 -0.248 3.616 3.960 -0.160 0.000 0.218 68 G C 1.710 176.643 174.900 0.056 0.000 1.154 68 G CA 0.838 45.972 45.100 0.057 0.000 0.767 68 G HN 0.485 nan 8.290 nan 0.000 0.552 69 N N 0.574 119.295 118.700 0.035 0.000 2.058 69 N HA -0.047 4.597 4.740 -0.160 0.000 0.191 69 N C 2.320 177.865 175.510 0.059 0.000 1.037 69 N CA 0.829 53.900 53.050 0.035 0.000 0.848 69 N CB -0.582 37.920 38.487 0.024 0.000 1.021 69 N HN 0.303 nan 8.380 nan 0.000 0.422 70 L N -0.143 121.118 121.223 0.063 0.000 1.970 70 L HA -0.174 4.070 4.340 -0.160 0.000 0.212 70 L C 2.255 179.206 176.870 0.135 0.000 1.071 70 L CA 1.312 56.196 54.840 0.072 0.000 0.751 70 L CB -0.659 41.418 42.059 0.030 0.000 0.889 70 L HN 0.156 nan 8.230 nan 0.000 0.432 71 F N 0.532 120.455 119.950 -0.044 0.000 2.154 71 F HA -0.332 4.139 4.527 -0.093 0.000 0.301 71 F C 2.452 178.223 175.800 -0.048 0.000 1.087 71 F CA 0.722 58.688 58.000 -0.056 0.000 1.274 71 F CB 0.056 39.016 39.000 -0.067 0.000 1.009 71 F HN 0.127 nan 8.300 nan 0.000 0.485 72 A N -0.540 122.346 122.820 0.111 0.000 2.121 72 A HA -0.191 4.033 4.320 -0.160 0.000 0.218 72 A C 1.818 179.385 177.584 -0.027 0.000 1.154 72 A CA 1.814 53.836 52.037 -0.024 0.000 0.679 72 A CB -1.046 17.933 19.000 -0.034 0.000 0.795 72 A HN 0.494 nan 8.150 nan 0.000 0.458 73 T N -3.070 111.497 114.554 0.022 0.000 3.069 73 T HA 0.411 4.665 4.350 -0.160 0.000 0.252 73 T C 0.552 175.232 174.700 -0.033 0.000 1.053 73 T CA -0.329 61.761 62.100 -0.016 0.000 0.964 73 T CB -0.424 68.463 68.868 0.031 0.000 1.005 73 T HN 0.240 nan 8.240 nan 0.000 0.532 74 I N 2.873 123.455 120.570 0.019 0.000 2.779 74 I HA 0.095 4.169 4.170 -0.160 0.000 0.285 74 I C 0.585 176.650 176.117 -0.087 0.000 1.134 74 I CA -0.402 60.892 61.300 -0.011 0.000 1.398 74 I CB 0.739 38.801 38.000 0.102 0.000 1.404 74 I HN 0.132 nan 8.210 nan 0.000 0.587 75 T N 5.723 120.188 114.554 -0.148 0.000 2.905 75 T HA -0.059 4.195 4.350 -0.160 0.000 0.299 75 T C 0.634 175.284 174.700 -0.084 0.000 1.024 75 T CA 0.238 62.235 62.100 -0.171 0.000 1.151 75 T CB -0.141 68.545 68.868 -0.303 0.000 0.987 75 T HN 0.703 nan 8.240 nan 0.000 0.535 76 N N -0.108 118.568 118.700 -0.041 0.000 2.741 76 N HA -0.222 4.422 4.740 -0.160 0.000 0.250 76 N C 0.695 176.291 175.510 0.143 0.000 1.115 76 N CA 0.972 54.126 53.050 0.173 0.000 0.724 76 N CB -1.391 37.159 38.487 0.105 0.000 1.090 76 N HN 0.759 nan 8.380 nan 0.000 0.558 77 A N -0.459 122.323 122.820 -0.064 0.000 1.941 77 A HA 0.181 4.405 4.320 -0.160 0.000 0.214 77 A C 0.850 178.411 177.584 -0.038 0.000 1.368 77 A CA 0.798 52.816 52.037 -0.031 0.000 0.651 77 A CB 0.375 19.337 19.000 -0.064 0.000 1.064 77 A HN 0.234 nan 8.150 nan 0.000 0.492 78 N N -1.111 117.455 118.700 -0.222 0.000 2.352 78 N HA 0.492 5.135 4.740 -0.160 0.000 0.291 78 N C -1.551 173.770 175.510 -0.315 0.000 1.040 78 N CA -0.349 52.623 53.050 -0.130 0.000 0.864 78 N CB 1.412 39.838 38.487 -0.102 0.000 1.440 78 N HN 0.107 nan 8.380 nan 0.000 0.483 79 F N -0.280 119.681 119.950 0.019 0.000 2.706 79 F HA 0.225 4.657 4.527 -0.159 0.000 0.313 79 F C 0.873 176.548 175.800 -0.209 0.000 1.096 79 F CA -0.560 57.399 58.000 -0.069 0.000 1.219 79 F CB 0.493 39.472 39.000 -0.035 0.000 1.051 79 F HN 0.304 nan 8.300 nan 0.000 0.568 80 D N 1.233 121.622 120.400 -0.018 0.000 2.365 80 D HA 0.008 4.552 4.640 -0.160 0.000 0.237 80 D C 0.511 176.768 176.300 -0.072 0.000 1.190 80 D CA 0.254 54.201 54.000 -0.088 0.000 0.867 80 D CB 0.879 41.632 40.800 -0.078 0.000 1.050 80 D HN 0.102 nan 8.370 nan 0.000 0.491 81 D N 2.475 122.832 120.400 -0.072 0.000 2.178 81 D HA -0.145 4.399 4.640 -0.160 0.000 0.201 81 D C 1.124 177.400 176.300 -0.040 0.000 0.980 81 D CA 0.864 54.836 54.000 -0.047 0.000 0.842 81 D CB 0.322 41.097 40.800 -0.042 0.000 0.948 81 D HN 0.466 nan 8.370 nan 0.000 0.472 82 D N -0.281 120.090 120.400 -0.048 0.000 2.144 82 D HA -0.069 4.475 4.640 -0.160 0.000 0.200 82 D C 1.991 178.266 176.300 -0.042 0.000 0.978 82 D CA 0.385 54.361 54.000 -0.040 0.000 0.833 82 D CB 0.064 40.839 40.800 -0.041 0.000 0.961 82 D HN 0.177 nan 8.370 nan 0.000 0.470 83 I N 0.581 121.115 120.570 -0.059 0.000 2.500 83 I HA -0.107 3.967 4.170 -0.160 0.000 0.252 83 I C 2.332 178.421 176.117 -0.047 0.000 1.142 83 I CA 0.552 61.812 61.300 -0.068 0.000 1.451 83 I CB -0.673 37.259 38.000 -0.112 0.000 1.093 83 I HN 0.045 nan 8.210 nan 0.000 0.430 84 L N 0.530 121.730 121.223 -0.038 0.000 2.044 84 L HA -0.078 4.166 4.340 -0.160 0.000 0.205 84 L C 2.860 179.731 176.870 0.001 0.000 1.075 84 L CA 1.148 55.977 54.840 -0.019 0.000 0.747 84 L CB -0.764 41.282 42.059 -0.021 0.000 0.903 84 L HN 0.124 nan 8.230 nan 0.000 0.435 85 A N 0.282 123.102 122.820 0.000 0.000 1.865 85 A HA -0.284 3.940 4.320 -0.160 0.000 0.217 85 A C 2.204 179.793 177.584 0.008 0.000 1.191 85 A CA 2.131 54.176 52.037 0.014 0.000 0.623 85 A CB -0.594 18.411 19.000 0.007 0.000 0.826 85 A HN 0.386 nan 8.150 nan 0.000 0.444 86 E N 0.119 120.315 120.200 -0.006 0.000 2.118 86 E HA -0.163 4.091 4.350 -0.160 0.000 0.195 86 E C 2.131 178.727 176.600 -0.007 0.000 0.992 86 E CA 1.473 57.867 56.400 -0.010 0.000 0.804 86 E CB -0.286 29.403 29.700 -0.018 0.000 0.741 86 E HN 0.595 nan 8.360 nan 0.000 0.458 87 R N -0.537 119.960 120.500 -0.005 0.000 2.115 87 R HA -0.031 4.213 4.340 -0.160 0.000 0.230 87 R C 2.320 178.630 176.300 0.016 0.000 1.111 87 R CA 1.130 57.230 56.100 -0.000 0.000 0.976 87 R CB -0.187 30.111 30.300 -0.003 0.000 0.870 87 R HN 0.128 nan 8.270 nan 0.000 0.445 88 V N 0.985 120.919 119.914 0.032 0.000 2.427 88 V HA -0.213 3.811 4.120 -0.160 0.000 0.248 88 V C 2.263 178.376 176.094 0.032 0.000 1.051 88 V CA 1.624 63.962 62.300 0.064 0.000 1.048 88 V CB -0.400 31.486 31.823 0.105 0.000 0.666 88 V HN 0.304 nan 8.190 nan 0.000 0.456 89 R N -0.546 119.957 120.500 0.004 0.000 2.073 89 R HA -0.050 4.194 4.340 -0.160 0.000 0.229 89 R C 2.337 178.620 176.300 -0.027 0.000 1.120 89 R CA 1.450 57.535 56.100 -0.025 0.000 0.967 89 R CB -0.371 29.912 30.300 -0.027 0.000 0.862 89 R HN 0.430 nan 8.270 nan 0.000 0.436 90 M N 0.045 119.635 119.600 -0.016 0.000 2.108 90 M HA -0.141 4.243 4.480 -0.160 0.000 0.261 90 M C 2.046 178.334 176.300 -0.019 0.000 1.066 90 M CA 1.752 57.041 55.300 -0.019 0.000 1.107 90 M CB -0.516 32.075 32.600 -0.015 0.000 1.356 90 M HN 0.116 nan 8.290 nan 0.000 0.406 91 T N -0.058 114.491 114.554 -0.008 0.000 2.821 91 T HA -0.110 4.143 4.350 -0.160 0.000 0.267 91 T C 1.906 176.598 174.700 -0.013 0.000 1.046 91 T CA 1.124 63.221 62.100 -0.004 0.000 1.139 91 T CB -0.416 68.463 68.868 0.019 0.000 0.871 91 T HN 0.455 nan 8.240 nan 0.000 0.454 92 C N 1.559 120.846 119.300 -0.023 0.000 2.440 92 C HA 0.146 4.510 4.460 -0.160 0.000 0.278 92 C C 3.188 178.140 174.990 -0.063 0.000 1.295 92 C CA 0.325 59.309 59.018 -0.057 0.000 1.738 92 C CB -1.350 26.319 27.740 -0.120 0.000 1.987 92 C HN 0.654 nan 8.230 nan 0.000 0.492 93 A N 0.765 123.552 122.820 -0.054 0.000 1.855 93 A HA 0.099 4.323 4.320 -0.160 0.000 0.215 93 A C 2.396 179.956 177.584 -0.040 0.000 1.191 93 A CA 2.095 54.102 52.037 -0.049 0.000 0.613 93 A CB -1.198 17.777 19.000 -0.042 0.000 0.829 93 A HN 0.540 nan 8.150 nan 0.000 0.442 94 A N 1.175 123.974 122.820 -0.034 0.000 1.869 94 A HA -0.285 3.939 4.320 -0.160 0.000 0.218 94 A C 2.125 179.689 177.584 -0.033 0.000 1.203 94 A CA 2.674 54.692 52.037 -0.032 0.000 0.638 94 A CB -0.765 18.216 19.000 -0.031 0.000 0.831 94 A HN 0.730 nan 8.150 nan 0.000 0.450 95 K N -0.359 120.021 120.400 -0.034 0.000 2.280 95 K HA -0.121 4.103 4.320 -0.160 0.000 0.202 95 K C 1.911 178.489 176.600 -0.036 0.000 1.047 95 K CA 1.692 57.958 56.287 -0.035 0.000 0.942 95 K CB -0.209 32.270 32.500 -0.035 0.000 0.739 95 K HN 0.447 nan 8.250 nan 0.000 0.457 96 K N 1.072 121.448 120.400 -0.041 0.000 2.217 96 K HA -0.101 4.123 4.320 -0.160 0.000 0.202 96 K C 1.894 178.474 176.600 -0.035 0.000 1.051 96 K CA 1.145 57.407 56.287 -0.042 0.000 0.952 96 K CB 0.174 32.643 32.500 -0.053 0.000 0.736 96 K HN 0.289 nan 8.250 nan 0.000 0.453 97 E N 0.271 120.451 120.200 -0.032 0.000 2.102 97 E HA -0.040 4.213 4.350 -0.160 0.000 0.190 97 E C 2.006 178.592 176.600 -0.024 0.000 0.971 97 E CA 0.232 56.616 56.400 -0.027 0.000 0.821 97 E CB 0.165 29.851 29.700 -0.025 0.000 0.777 97 E HN 0.262 nan 8.360 nan 0.000 0.460 98 L N 0.587 121.794 121.223 -0.025 0.000 2.079 98 L HA -0.187 4.057 4.340 -0.160 0.000 0.210 98 L C 2.519 179.375 176.870 -0.023 0.000 1.081 98 L CA 1.155 55.981 54.840 -0.023 0.000 0.752 98 L CB -0.382 41.661 42.059 -0.026 0.000 0.896 98 L HN 0.156 nan 8.230 nan 0.000 0.433 99 A N -0.357 122.448 122.820 -0.026 0.000 2.067 99 A HA -0.069 4.155 4.320 -0.160 0.000 0.219 99 A C 2.458 180.030 177.584 -0.021 0.000 1.158 99 A CA 1.369 53.391 52.037 -0.025 0.000 0.661 99 A CB -0.456 18.528 19.000 -0.027 0.000 0.801 99 A HN 0.415 nan 8.150 nan 0.000 0.452 100 A N -0.768 122.040 122.820 -0.021 0.000 1.969 100 A HA -0.041 4.183 4.320 -0.160 0.000 0.218 100 A C 2.380 179.955 177.584 -0.015 0.000 1.169 100 A CA 1.822 53.848 52.037 -0.018 0.000 0.635 100 A CB -0.700 18.289 19.000 -0.019 0.000 0.810 100 A HN 0.546 nan 8.150 nan 0.000 0.445 101 S N -0.842 114.849 115.700 -0.015 0.000 2.453 101 S HA 0.085 4.459 4.470 -0.160 0.000 0.231 101 S C 0.886 175.479 174.600 -0.012 0.000 1.005 101 S CA -0.087 58.105 58.200 -0.012 0.000 0.949 101 S CB -0.671 62.522 63.200 -0.012 0.000 0.774 101 S HN 0.437 nan 8.310 nan 0.000 0.510 102 L N 0.956 122.171 121.223 -0.014 0.000 2.472 102 L HA 0.071 4.315 4.340 -0.160 0.000 0.273 102 L C 1.695 178.559 176.870 -0.011 0.000 1.254 102 L CA 0.213 55.045 54.840 -0.014 0.000 0.823 102 L CB 0.358 42.407 42.059 -0.016 0.000 1.096 102 L HN 0.161 nan 8.230 nan 0.000 0.521 103 T N -1.806 112.742 114.554 -0.010 0.000 3.071 103 T HA -0.010 4.244 4.350 -0.160 0.000 0.239 103 T C -0.038 174.657 174.700 -0.009 0.000 0.997 103 T CA 0.247 62.342 62.100 -0.009 0.000 1.134 103 T CB 0.065 68.928 68.868 -0.007 0.000 0.928 103 T HN 0.574 nan 8.240 nan 0.000 0.453 104 D N 1.887 122.281 120.400 -0.010 0.000 2.479 104 D HA 0.201 4.745 4.640 -0.160 0.000 0.247 104 D C -0.351 175.942 176.300 -0.012 0.000 1.119 104 D CA -0.393 53.601 54.000 -0.010 0.000 0.922 104 D CB 0.376 41.171 40.800 -0.010 0.000 1.014 104 D HN 0.039 nan 8.370 nan 0.000 0.510 105 K N 1.916 122.309 120.400 -0.012 0.000 3.216 105 K HA 0.218 4.442 4.320 -0.160 0.000 0.277 105 K C -0.186 176.407 176.600 -0.012 0.000 1.246 105 K CA -0.177 56.102 56.287 -0.013 0.000 1.227 105 K CB 0.228 32.721 32.500 -0.013 0.000 1.487 105 K HN 0.162 nan 8.250 nan 0.000 0.341 106 S N -0.518 115.174 115.700 -0.012 0.000 2.638 106 S HA 0.492 4.866 4.470 -0.160 0.000 0.298 106 S C 1.079 175.671 174.600 -0.014 0.000 1.111 106 S CA -0.184 58.010 58.200 -0.011 0.000 1.027 106 S CB 1.633 64.828 63.200 -0.009 0.000 1.064 106 S HN 0.676 nan 8.310 nan 0.000 0.525 107 G N 0.858 109.651 108.800 -0.012 0.000 2.200 107 G HA2 -0.245 3.619 3.960 -0.160 0.000 0.267 107 G HA3 -0.245 3.619 3.960 -0.160 0.000 0.267 107 G C 0.021 174.908 174.900 -0.020 0.000 0.993 107 G CA 0.226 45.318 45.100 -0.015 0.000 0.701 107 G HN 0.564 nan 8.290 nan 0.000 0.524 108 L N 1.837 123.049 121.223 -0.019 0.000 2.462 108 L HA 0.311 4.555 4.340 -0.160 0.000 0.272 108 L C 1.629 178.485 176.870 -0.024 0.000 1.166 108 L CA 0.219 55.043 54.840 -0.027 0.000 0.880 108 L CB 0.642 42.687 42.059 -0.023 0.000 1.142 108 L HN 0.480 nan 8.230 nan 0.000 0.473 109 S N 0.820 116.496 115.700 -0.041 0.000 2.606 109 S HA -0.043 4.331 4.470 -0.160 0.000 0.257 109 S C 0.755 175.341 174.600 -0.023 0.000 1.327 109 S CA -0.201 57.977 58.200 -0.037 0.000 0.984 109 S CB 1.029 64.186 63.200 -0.071 0.000 0.941 109 S HN 0.748 nan 8.310 nan 0.000 0.576 110 D N 1.074 121.482 120.400 0.012 0.000 2.084 110 D HA -0.108 4.436 4.640 -0.160 0.000 0.194 110 D C 2.123 178.436 176.300 0.023 0.000 0.990 110 D CA 1.852 55.901 54.000 0.082 0.000 0.826 110 D CB -0.705 40.197 40.800 0.170 0.000 0.971 110 D HN 0.690 nan 8.370 nan 0.000 0.453 111 A N 0.471 123.118 122.820 -0.289 0.000 1.958 111 A HA -0.137 4.087 4.320 -0.160 0.000 0.221 111 A C 2.387 179.823 177.584 -0.246 0.000 1.178 111 A CA 2.635 54.225 52.037 -0.744 0.000 0.642 111 A CB -1.216 17.028 19.000 -1.260 0.000 0.816 111 A HN 0.398 nan 8.150 nan 0.000 0.453 112 A N -0.975 121.754 122.820 -0.151 0.000 1.929 112 A HA 0.125 4.349 4.320 -0.160 0.000 0.216 112 A C 2.149 179.725 177.584 -0.013 0.000 1.176 112 A CA 1.402 53.394 52.037 -0.076 0.000 0.628 112 A CB -0.350 18.608 19.000 -0.072 0.000 0.816 112 A HN 0.476 nan 8.150 nan 0.000 0.444 113 L N -2.973 118.267 121.223 0.029 0.000 2.221 113 L HA 0.067 4.311 4.340 -0.160 0.000 0.202 113 L C 1.362 178.291 176.870 0.098 0.000 1.074 113 L CA -0.311 54.559 54.840 0.051 0.000 0.795 113 L CB -0.430 41.662 42.059 0.055 0.000 0.960 113 L HN 0.640 nan 8.230 nan 0.000 0.458 114 W N 3.321 124.622 121.300 0.003 0.000 2.274 114 W HA 0.056 4.619 4.660 -0.162 0.000 0.345 114 W C 0.382 176.919 176.519 0.030 0.000 1.265 114 W CA 0.277 57.647 57.345 0.041 0.000 1.293 114 W CB 0.322 29.852 29.460 0.118 0.000 1.175 114 W HN 0.155 nan 8.180 nan 0.000 0.577 115 E N 3.727 123.213 120.200 -1.191 0.000 2.388 115 E HA 0.776 5.030 4.350 -0.160 0.000 0.280 115 E C -1.845 173.935 176.600 -1.368 0.000 1.019 115 E CA -1.230 54.464 56.400 -1.177 0.000 0.806 115 E CB 1.266 30.675 29.700 -0.486 0.000 1.246 115 E HN 0.674 nan 8.360 nan 0.000 0.443 116 A N 0.630 122.875 122.820 -0.958 0.000 2.604 116 A HA 0.641 4.865 4.320 -0.160 0.000 0.295 116 A C -0.173 177.264 177.584 -0.246 0.000 1.067 116 A CA -0.128 51.609 52.037 -0.500 0.000 0.683 116 A CB 1.700 20.506 19.000 -0.323 0.000 1.281 116 A HN 0.967 nan 8.150 nan 0.000 0.407 117 S N -0.872 114.746 115.700 -0.136 0.000 2.589 117 S HA 0.487 4.860 4.470 -0.160 0.000 0.235 117 S C 0.577 175.157 174.600 -0.035 0.000 1.051 117 S CA 1.171 59.324 58.200 -0.078 0.000 0.978 117 S CB -0.006 63.149 63.200 -0.074 0.000 0.929 117 S HN 1.714 nan 8.310 nan 0.000 0.523 118 E N 1.997 122.184 120.200 -0.022 0.000 2.200 118 E HA 0.477 4.731 4.350 -0.160 0.000 0.283 118 E C 0.518 177.137 176.600 0.032 0.000 1.015 118 E CA -0.565 55.838 56.400 0.004 0.000 0.819 118 E CB 0.707 30.411 29.700 0.007 0.000 1.081 118 E HN 0.462 nan 8.360 nan 0.000 0.397 119 K N 1.131 121.548 120.400 0.028 0.000 2.089 119 K HA -0.230 3.994 4.320 -0.160 0.000 0.210 119 K C 2.265 178.897 176.600 0.053 0.000 1.048 119 K CA 2.309 58.620 56.287 0.041 0.000 0.926 119 K CB -0.174 32.340 32.500 0.022 0.000 0.714 119 K HN 0.630 nan 8.250 nan 0.000 0.448 120 S N -0.041 115.684 115.700 0.042 0.000 2.383 120 S HA -0.139 4.235 4.470 -0.160 0.000 0.229 120 S C 2.126 176.768 174.600 0.069 0.000 1.030 120 S CA 1.027 59.253 58.200 0.044 0.000 1.002 120 S CB -0.350 62.868 63.200 0.031 0.000 0.829 120 S HN 0.403 nan 8.310 nan 0.000 0.467 121 A N 1.771 124.648 122.820 0.095 0.000 1.968 121 A HA 0.234 4.458 4.320 -0.160 0.000 0.217 121 A C 2.314 180.049 177.584 0.253 0.000 1.169 121 A CA 1.271 53.404 52.037 0.160 0.000 0.638 121 A CB -0.673 18.420 19.000 0.155 0.000 0.812 121 A HN 0.598 nan 8.150 nan 0.000 0.446 122 M N -0.506 119.235 119.600 0.235 0.000 2.229 122 M HA -0.027 4.357 4.480 -0.160 0.000 0.264 122 M C 1.856 178.227 176.300 0.118 0.000 1.063 122 M CA 1.133 56.600 55.300 0.278 0.000 1.114 122 M CB -0.445 32.287 32.600 0.220 0.000 1.387 122 M HN 0.326 nan 8.290 nan 0.000 0.420 123 L N -0.323 120.945 121.223 0.075 0.000 2.156 123 L HA -0.076 4.168 4.340 -0.160 0.000 0.208 123 L C 2.802 179.670 176.870 -0.003 0.000 1.095 123 L CA 0.768 55.623 54.840 0.025 0.000 0.770 123 L CB -0.816 41.256 42.059 0.022 0.000 0.914 123 L HN 0.276 nan 8.230 nan 0.000 0.439 124 A N 0.156 122.985 122.820 0.015 0.000 1.898 124 A HA -0.182 4.042 4.320 -0.160 0.000 0.214 124 A C 2.300 179.834 177.584 -0.083 0.000 1.183 124 A CA 1.455 53.483 52.037 -0.014 0.000 0.622 124 A CB -0.287 18.727 19.000 0.023 0.000 0.824 124 A HN 0.166 nan 8.150 nan 0.000 0.444 125 K N 0.567 120.899 120.400 -0.113 0.000 2.032 125 K HA -0.052 4.172 4.320 -0.160 0.000 0.209 125 K C 1.988 178.356 176.600 -0.386 0.000 1.048 125 K CA 1.775 57.835 56.287 -0.377 0.000 0.927 125 K CB -0.698 31.339 32.500 -0.773 0.000 0.712 125 K HN 0.324 nan 8.250 nan 0.000 0.441 126 A N 0.178 122.850 122.820 -0.246 0.000 1.892 126 A HA -0.109 4.115 4.320 -0.160 0.000 0.218 126 A C 2.388 179.866 177.584 -0.177 0.000 1.188 126 A CA 2.069 53.989 52.037 -0.195 0.000 0.631 126 A CB -1.566 17.381 19.000 -0.090 0.000 0.822 126 A HN 0.492 nan 8.150 nan 0.000 0.447 127 G N -1.214 107.504 108.800 -0.136 0.000 2.564 127 G HA2 -0.094 3.770 3.960 -0.160 0.000 0.217 127 G HA3 -0.094 3.770 3.960 -0.160 0.000 0.217 127 G C 1.085 175.901 174.900 -0.141 0.000 1.120 127 G CA 1.850 46.882 45.100 -0.113 0.000 0.752 127 G HN 0.911 nan 8.290 nan 0.000 0.558 128 T N -3.244 111.189 114.554 -0.203 0.000 3.209 128 T HA 0.281 4.535 4.350 -0.160 0.000 0.295 128 T C 0.995 175.526 174.700 -0.283 0.000 0.977 128 T CA 0.494 62.468 62.100 -0.210 0.000 0.922 128 T CB 0.509 69.260 68.868 -0.195 0.000 1.152 128 T HN 0.508 nan 8.240 nan 0.000 0.527 129 V N -2.075 117.632 119.914 -0.344 0.000 3.330 129 V HA 0.701 4.725 4.120 -0.160 0.000 0.309 129 V C 0.992 177.004 176.094 -0.138 0.000 1.481 129 V CA -0.171 61.867 62.300 -0.436 0.000 1.068 129 V CB -0.206 31.002 31.823 -1.025 0.000 0.935 129 V HN 0.396 nan 8.190 nan 0.000 0.453 130 G N 0.423 109.168 108.800 -0.092 0.000 2.553 130 G HA2 0.387 4.251 3.960 -0.160 0.000 0.278 130 G HA3 0.387 4.251 3.960 -0.160 0.000 0.278 130 G C 0.890 175.791 174.900 0.002 0.000 1.349 130 G CA 0.394 45.475 45.100 -0.031 0.000 1.037 130 G HN 0.036 nan 8.290 nan 0.000 0.508 131 V N -0.068 119.695 119.914 -0.251 0.000 2.217 131 V HA -0.295 3.729 4.120 -0.160 0.000 0.248 131 V C 3.029 179.034 176.094 -0.147 0.000 1.050 131 V CA 2.719 64.761 62.300 -0.431 0.000 1.007 131 V CB -0.710 30.720 31.823 -0.655 0.000 0.639 131 V HN 0.575 nan 8.190 nan 0.000 0.452 132 M N 0.062 119.470 119.600 -0.321 0.000 2.164 132 M HA -0.305 4.079 4.480 -0.160 0.000 0.251 132 M C 2.104 178.334 176.300 -0.116 0.000 1.087 132 M CA 2.188 57.317 55.300 -0.286 0.000 1.071 132 M CB -1.387 31.001 32.600 -0.353 0.000 1.347 132 M HN 0.439 nan 8.290 nan 0.000 0.399 133 A N -1.329 121.452 122.820 -0.065 0.000 2.023 133 A HA -0.175 4.049 4.320 -0.160 0.000 0.223 133 A C 1.309 178.901 177.584 0.013 0.000 1.180 133 A CA 2.074 54.095 52.037 -0.028 0.000 0.659 133 A CB -1.315 17.676 19.000 -0.015 0.000 0.817 133 A HN 0.504 nan 8.150 nan 0.000 0.466 134 T N 0.285 114.881 114.554 0.070 0.000 2.728 134 T HA 0.362 4.616 4.350 -0.160 0.000 0.296 134 T C 1.473 176.194 174.700 0.035 0.000 0.940 134 T CA 0.235 62.378 62.100 0.072 0.000 1.013 134 T CB 1.324 70.275 68.868 0.138 0.000 0.912 134 T HN 0.596 nan 8.240 nan 0.000 0.484 135 T N 0.346 114.906 114.554 0.010 0.000 2.612 135 T HA -0.114 4.140 4.350 -0.160 0.000 0.259 135 T C 0.934 175.641 174.700 0.012 0.000 1.065 135 T CA 0.454 62.552 62.100 -0.004 0.000 1.167 135 T CB -0.493 68.369 68.868 -0.010 0.000 0.863 135 T HN 0.582 nan 8.240 nan 0.000 0.407 136 D N 2.631 123.043 120.400 0.018 0.000 2.661 136 D HA -0.089 4.455 4.640 -0.160 0.000 0.244 136 D C 0.440 176.766 176.300 0.044 0.000 1.196 136 D CA 0.246 54.261 54.000 0.025 0.000 0.881 136 D CB 0.319 41.132 40.800 0.021 0.000 1.141 136 D HN 0.304 nan 8.370 nan 0.000 0.530 137 D N 3.836 124.263 120.400 0.045 0.000 2.127 137 D HA -0.214 4.329 4.640 -0.160 0.000 0.190 137 D C 1.137 177.485 176.300 0.081 0.000 1.000 137 D CA 1.249 55.289 54.000 0.067 0.000 0.839 137 D CB 0.103 40.937 40.800 0.056 0.000 0.955 137 D HN 0.587 nan 8.370 nan 0.000 0.446 138 D N 0.117 120.552 120.400 0.059 0.000 2.144 138 D HA -0.094 4.450 4.640 -0.160 0.000 0.199 138 D C 2.228 178.561 176.300 0.055 0.000 0.984 138 D CA 0.356 54.390 54.000 0.057 0.000 0.834 138 D CB -0.174 40.650 40.800 0.039 0.000 0.955 138 D HN 0.085 nan 8.370 nan 0.000 0.465 139 V N 0.690 120.631 119.914 0.046 0.000 2.871 139 V HA -0.115 3.909 4.120 -0.160 0.000 0.256 139 V C 2.446 178.570 176.094 0.049 0.000 1.082 139 V CA 0.958 63.275 62.300 0.029 0.000 1.105 139 V CB -0.261 31.569 31.823 0.012 0.000 0.713 139 V HN 0.117 nan 8.190 nan 0.000 0.473 140 R N -0.095 120.473 120.500 0.113 0.000 2.062 140 R HA -0.131 4.113 4.340 -0.160 0.000 0.229 140 R C 2.637 179.112 176.300 0.291 0.000 1.128 140 R CA 1.663 57.903 56.100 0.233 0.000 0.960 140 R CB -0.470 29.985 30.300 0.258 0.000 0.855 140 R HN 0.435 nan 8.270 nan 0.000 0.432 141 S N 0.701 116.540 115.700 0.232 0.000 2.368 141 S HA -0.156 4.218 4.470 -0.160 0.000 0.226 141 S C 2.011 176.694 174.600 0.137 0.000 1.044 141 S CA 1.576 59.914 58.200 0.230 0.000 1.062 141 S CB -0.284 63.015 63.200 0.165 0.000 0.931 141 S HN 0.368 nan 8.310 nan 0.000 0.440 142 L N 0.454 121.712 121.223 0.059 0.000 2.056 142 L HA -0.051 4.193 4.340 -0.160 0.000 0.207 142 L C 2.937 179.736 176.870 -0.119 0.000 1.078 142 L CA 1.333 56.163 54.840 -0.016 0.000 0.749 142 L CB -0.472 41.579 42.059 -0.013 0.000 0.901 142 L HN 0.270 nan 8.230 nan 0.000 0.433 143 R N -0.857 119.543 120.500 -0.167 0.000 2.081 143 R HA -0.184 4.060 4.340 -0.160 0.000 0.235 143 R C 2.071 177.976 176.300 -0.659 0.000 1.131 143 R CA 1.895 57.762 56.100 -0.389 0.000 0.960 143 R CB -0.312 29.724 30.300 -0.440 0.000 0.856 143 R HN 0.367 nan 8.270 nan 0.000 0.436 144 W N -0.018 121.078 121.300 -0.340 0.000 2.658 144 W HA 0.004 4.562 4.660 -0.170 0.000 0.263 144 W C 1.794 177.557 176.519 -1.261 0.000 1.274 144 W CA -0.170 56.705 57.345 -0.785 0.000 1.343 144 W CB -0.063 29.065 29.460 -0.554 0.000 1.106 144 W HN 0.097 nan 8.180 nan 0.000 0.615 145 L N 0.275 121.197 121.223 -0.501 0.000 2.109 145 L HA -0.035 4.209 4.340 -0.160 0.000 0.207 145 L C 1.863 178.559 176.870 -0.290 0.000 1.086 145 L CA 1.895 56.513 54.840 -0.369 0.000 0.760 145 L CB -0.642 41.400 42.059 -0.029 0.000 0.910 145 L HN -0.012 nan 8.230 nan 0.000 0.437 146 I N -1.075 119.330 120.570 -0.274 0.000 2.286 146 I HA -0.230 3.844 4.170 -0.160 0.000 0.245 146 I C 2.200 178.185 176.117 -0.220 0.000 1.104 146 I CA 1.404 62.590 61.300 -0.190 0.000 1.397 146 I CB -0.761 37.132 38.000 -0.178 0.000 1.072 146 I HN 0.207 nan 8.210 nan 0.000 0.417 147 T N 1.137 115.465 114.554 -0.377 0.000 2.720 147 T HA -0.179 4.075 4.350 -0.160 0.000 0.268 147 T C 1.703 176.377 174.700 -0.043 0.000 1.037 147 T CA 1.721 63.639 62.100 -0.302 0.000 1.144 147 T CB -0.440 68.119 68.868 -0.515 0.000 0.864 147 T HN 0.254 nan 8.240 nan 0.000 0.444 148 F N 0.936 120.813 119.950 -0.121 0.000 2.186 148 F HA 0.037 4.470 4.527 -0.157 0.000 0.299 148 F C 2.884 178.620 175.800 -0.108 0.000 1.090 148 F CA 0.276 58.198 58.000 -0.130 0.000 1.307 148 F CB -0.604 38.223 39.000 -0.289 0.000 1.019 148 F HN 0.249 nan 8.300 nan 0.000 0.489 149 G N 0.777 109.620 108.800 0.071 0.000 2.422 149 G HA2 -0.206 3.658 3.960 -0.160 0.000 0.218 149 G HA3 -0.206 3.658 3.960 -0.160 0.000 0.218 149 G C 1.594 176.506 174.900 0.021 0.000 1.146 149 G CA 0.558 45.682 45.100 0.041 0.000 0.769 149 G HN 0.273 nan 8.290 nan 0.000 0.547 150 L N -0.366 120.858 121.223 0.002 0.000 2.291 150 L HA 0.040 4.284 4.340 -0.160 0.000 0.214 150 L C 2.828 179.675 176.870 -0.037 0.000 1.120 150 L CA 0.722 55.553 54.840 -0.016 0.000 0.799 150 L CB -0.160 41.857 42.059 -0.070 0.000 0.925 150 L HN 0.188 nan 8.230 nan 0.000 0.446 151 K N 0.000 120.389 120.400 -0.019 0.000 2.076 151 K HA -0.037 4.187 4.320 -0.160 0.000 0.204 151 K C 2.183 178.667 176.600 -0.194 0.000 1.051 151 K CA 1.094 57.347 56.287 -0.056 0.000 0.949 151 K CB -0.286 32.222 32.500 0.014 0.000 0.726 151 K HN 0.330 nan 8.250 nan 0.000 0.443 152 G N 1.502 110.180 108.800 -0.204 0.000 2.404 152 G HA2 -0.276 3.588 3.960 -0.160 0.000 0.215 152 G HA3 -0.276 3.588 3.960 -0.160 0.000 0.215 152 G C 1.448 176.017 174.900 -0.551 0.000 1.174 152 G CA 0.634 45.483 45.100 -0.418 0.000 0.780 152 G HN 0.158 nan 8.290 nan 0.000 0.537 153 M N 0.867 120.326 119.600 -0.234 0.000 2.065 153 M HA -0.079 4.305 4.480 -0.160 0.000 0.259 153 M C 2.862 179.109 176.300 -0.089 0.000 1.069 153 M CA 2.004 57.261 55.300 -0.072 0.000 1.110 153 M CB -0.226 32.417 32.600 0.070 0.000 1.328 153 M HN 0.289 nan 8.290 nan 0.000 0.405 154 A N 0.213 122.966 122.820 -0.113 0.000 1.917 154 A HA -0.174 4.050 4.320 -0.160 0.000 0.219 154 A C 2.285 179.749 177.584 -0.200 0.000 1.182 154 A CA 2.304 54.282 52.037 -0.099 0.000 0.633 154 A CB -1.276 17.675 19.000 -0.083 0.000 0.819 154 A HN 0.714 nan 8.150 nan 0.000 0.448 155 A N -1.394 121.138 122.820 -0.478 0.000 1.902 155 A HA -0.118 4.106 4.320 -0.160 0.000 0.217 155 A C 2.131 179.560 177.584 -0.259 0.000 1.181 155 A CA 1.461 52.990 52.037 -0.846 0.000 0.623 155 A CB -0.853 17.292 19.000 -1.425 0.000 0.818 155 A HN 0.700 nan 8.150 nan 0.000 0.443 156 Y N -0.591 119.633 120.300 -0.128 0.000 2.293 156 Y HA -0.115 4.371 4.550 -0.107 0.000 0.291 156 Y C 2.917 178.857 175.900 0.068 0.000 1.137 156 Y CA 0.243 58.364 58.100 0.035 0.000 1.202 156 Y CB -0.140 38.342 38.460 0.035 0.000 0.990 156 Y HN 0.400 nan 8.280 nan 0.000 0.537 157 A N 0.390 123.322 122.820 0.187 0.000 1.930 157 A HA -0.187 4.037 4.320 -0.160 0.000 0.217 157 A C 2.114 179.787 177.584 0.148 0.000 1.175 157 A CA 1.580 53.713 52.037 0.161 0.000 0.627 157 A CB -0.462 18.617 19.000 0.131 0.000 0.815 157 A HN 0.353 nan 8.150 nan 0.000 0.443 158 K N -1.256 119.194 120.400 0.083 0.000 2.057 158 K HA -0.167 4.057 4.320 -0.160 0.000 0.206 158 K C 1.934 178.598 176.600 0.106 0.000 1.050 158 K CA 1.280 57.609 56.287 0.069 0.000 0.935 158 K CB -0.245 32.278 32.500 0.037 0.000 0.715 158 K HN 0.575 nan 8.250 nan 0.000 0.439 159 H N -0.355 118.836 119.070 0.201 0.000 2.423 159 H HA -0.029 4.406 4.556 -0.200 0.000 0.297 159 H C 1.877 177.308 175.328 0.172 0.000 1.075 159 H CA 1.327 57.498 56.048 0.205 0.000 1.342 159 H CB 0.020 29.914 29.762 0.220 0.000 1.395 159 H HN 0.342 nan 8.280 nan 0.000 0.530 160 A N 0.651 123.634 122.820 0.271 0.000 1.929 160 A HA -0.148 4.076 4.320 -0.160 0.000 0.216 160 A C 2.202 179.903 177.584 0.194 0.000 1.176 160 A CA 1.636 53.790 52.037 0.196 0.000 0.628 160 A CB -0.255 18.840 19.000 0.158 0.000 0.816 160 A HN 0.341 nan 8.150 nan 0.000 0.444 161 D N -0.614 119.915 120.400 0.216 0.000 2.183 161 D HA -0.082 4.462 4.640 -0.160 0.000 0.203 161 D C 1.640 178.065 176.300 0.208 0.000 0.969 161 D CA 1.151 55.298 54.000 0.246 0.000 0.842 161 D CB -0.034 40.920 40.800 0.257 0.000 0.957 161 D HN 0.110 nan 8.370 nan 0.000 0.484 162 V N 0.297 120.326 119.914 0.192 0.000 2.626 162 V HA -0.114 3.910 4.120 -0.160 0.000 0.252 162 V C 2.048 178.244 176.094 0.170 0.000 1.067 162 V CA 1.047 63.454 62.300 0.179 0.000 1.081 162 V CB -0.271 31.679 31.823 0.212 0.000 0.686 162 V HN 0.332 nan 8.190 nan 0.000 0.468 163 L N 0.081 121.406 121.223 0.169 0.000 2.629 163 L HA 0.333 4.577 4.340 -0.160 0.000 0.230 163 L C 1.585 178.508 176.870 0.089 0.000 1.151 163 L CA 0.752 55.665 54.840 0.122 0.000 0.924 163 L CB -0.252 41.874 42.059 0.112 0.000 1.137 163 L HN 0.489 nan 8.230 nan 0.000 0.457 164 G N 0.124 108.998 108.800 0.123 0.000 2.143 164 G HA2 -0.267 3.597 3.960 -0.160 0.000 0.249 164 G HA3 -0.267 3.597 3.960 -0.160 0.000 0.249 164 G C 0.018 174.970 174.900 0.088 0.000 0.981 164 G CA -0.113 45.056 45.100 0.115 0.000 0.665 164 G HN 0.233 nan 8.290 nan 0.000 0.528 165 K N 0.614 121.077 120.400 0.103 0.000 2.358 165 K HA 0.714 4.938 4.320 -0.160 0.000 0.260 165 K C -0.316 176.354 176.600 0.116 0.000 0.956 165 K CA -0.741 55.568 56.287 0.038 0.000 0.834 165 K CB 1.093 33.613 32.500 0.032 0.000 1.102 165 K HN 0.784 nan 8.250 nan 0.000 0.431 166 H N -1.075 117.990 119.070 -0.008 0.000 3.123 166 H HA 0.629 5.087 4.556 -0.162 0.000 0.346 166 H C -1.168 174.134 175.328 -0.043 0.000 1.138 166 H CA -0.917 55.120 56.048 -0.017 0.000 1.273 166 H CB 0.634 30.344 29.762 -0.086 0.000 1.926 166 H HN 0.425 nan 8.280 nan 0.000 0.524 167 E N 1.941 122.207 120.200 0.111 0.000 2.183 167 E HA 0.240 4.494 4.350 -0.160 0.000 0.271 167 E C -0.022 176.670 176.600 0.152 0.000 0.919 167 E CA -0.578 55.868 56.400 0.075 0.000 0.781 167 E CB 1.388 31.130 29.700 0.070 0.000 1.140 167 E HN 0.807 nan 8.360 nan 0.000 0.402 168 N N 0.757 119.530 118.700 0.122 0.000 2.223 168 N HA -0.175 4.469 4.740 -0.160 0.000 0.185 168 N C 1.870 177.456 175.510 0.128 0.000 1.016 168 N CA 1.985 55.110 53.050 0.125 0.000 0.863 168 N CB -0.014 38.527 38.487 0.090 0.000 0.983 168 N HN 0.617 nan 8.380 nan 0.000 0.429 169 S N -0.196 115.590 115.700 0.143 0.000 2.453 169 S HA -0.079 4.295 4.470 -0.160 0.000 0.231 169 S C 1.968 176.729 174.600 0.269 0.000 1.005 169 S CA 0.333 58.651 58.200 0.198 0.000 0.949 169 S CB -0.227 63.105 63.200 0.219 0.000 0.774 169 S HN 0.234 nan 8.310 nan 0.000 0.510 170 L N 2.312 123.686 121.223 0.252 0.000 2.068 170 L HA 0.114 4.358 4.340 -0.160 0.000 0.204 170 L C 1.784 178.765 176.870 0.184 0.000 1.076 170 L CA 1.868 56.880 54.840 0.288 0.000 0.753 170 L CB -0.772 41.440 42.059 0.255 0.000 0.910 170 L HN 0.124 nan 8.230 nan 0.000 0.439 171 D N -0.069 120.420 120.400 0.148 0.000 2.144 171 D HA -0.143 4.401 4.640 -0.160 0.000 0.200 171 D C 2.066 178.383 176.300 0.029 0.000 0.978 171 D CA 1.394 55.450 54.000 0.093 0.000 0.833 171 D CB 0.076 40.950 40.800 0.125 0.000 0.961 171 D HN 0.491 nan 8.370 nan 0.000 0.470 172 A N 0.965 123.812 122.820 0.044 0.000 1.873 172 A HA -0.164 4.060 4.320 -0.160 0.000 0.215 172 A C 2.051 179.585 177.584 -0.083 0.000 1.186 172 A CA 0.931 52.966 52.037 -0.003 0.000 0.616 172 A CB -0.941 18.081 19.000 0.036 0.000 0.823 172 A HN 0.232 nan 8.150 nan 0.000 0.442 173 F N 0.279 120.085 119.950 -0.241 0.000 2.075 173 F HA -0.188 4.238 4.527 -0.168 0.000 0.297 173 F C 2.307 177.901 175.800 -0.344 0.000 1.113 173 F CA 2.096 59.812 58.000 -0.473 0.000 1.218 173 F CB -0.443 37.824 39.000 -1.223 0.000 0.984 173 F HN 0.164 nan 8.300 nan 0.000 0.472 174 M N 0.173 119.532 119.600 -0.401 0.000 2.110 174 M HA -0.365 4.019 4.480 -0.160 0.000 0.257 174 M C 2.286 178.344 176.300 -0.403 0.000 1.071 174 M CA 2.429 57.500 55.300 -0.382 0.000 1.096 174 M CB -0.769 31.769 32.600 -0.104 0.000 1.300 174 M HN 0.290 nan 8.290 nan 0.000 0.411 175 Q N -0.683 118.958 119.800 -0.265 0.000 2.181 175 Q HA -0.220 4.024 4.340 -0.160 0.000 0.205 175 Q C 1.951 177.794 176.000 -0.261 0.000 0.980 175 Q CA 1.530 57.205 55.803 -0.214 0.000 0.862 175 Q CB -0.221 28.437 28.738 -0.132 0.000 0.905 175 Q HN 0.560 nan 8.270 nan 0.000 0.429 176 E N 0.299 120.297 120.200 -0.337 0.000 2.112 176 E HA -0.113 4.141 4.350 -0.160 0.000 0.190 176 E C 1.860 178.220 176.600 -0.401 0.000 0.979 176 E CA 0.733 56.945 56.400 -0.312 0.000 0.814 176 E CB 0.028 29.568 29.700 -0.267 0.000 0.762 176 E HN 0.307 nan 8.360 nan 0.000 0.460 177 A N 1.524 123.947 122.820 -0.662 0.000 1.902 177 A HA -0.128 4.096 4.320 -0.160 0.000 0.217 177 A C 2.251 179.603 177.584 -0.388 0.000 1.181 177 A CA 1.023 52.682 52.037 -0.630 0.000 0.623 177 A CB -0.660 17.745 19.000 -0.991 0.000 0.818 177 A HN 0.297 nan 8.150 nan 0.000 0.443 178 L N -0.770 120.244 121.223 -0.349 0.000 2.046 178 L HA -0.209 4.034 4.340 -0.160 0.000 0.208 178 L C 3.081 179.811 176.870 -0.234 0.000 1.077 178 L CA 1.107 55.788 54.840 -0.265 0.000 0.747 178 L CB -0.531 41.399 42.059 -0.215 0.000 0.896 178 L HN 0.439 nan 8.230 nan 0.000 0.432 179 A N -0.126 122.562 122.820 -0.218 0.000 1.972 179 A HA -0.205 4.019 4.320 -0.160 0.000 0.219 179 A C 2.290 179.773 177.584 -0.168 0.000 1.169 179 A CA 1.532 53.462 52.037 -0.179 0.000 0.635 179 A CB -0.316 18.589 19.000 -0.157 0.000 0.810 179 A HN 0.327 nan 8.150 nan 0.000 0.446 180 K N -0.396 119.893 120.400 -0.185 0.000 2.288 180 K HA -0.072 4.152 4.320 -0.160 0.000 0.201 180 K C 1.763 178.266 176.600 -0.162 0.000 1.048 180 K CA 1.430 57.624 56.287 -0.155 0.000 0.956 180 K CB -0.243 32.167 32.500 -0.150 0.000 0.746 180 K HN 0.703 nan 8.250 nan 0.000 0.461 181 T N -1.251 113.177 114.554 -0.209 0.000 3.163 181 T HA 0.041 4.295 4.350 -0.160 0.000 0.260 181 T C 1.311 175.886 174.700 -0.208 0.000 1.156 181 T CA 0.533 62.483 62.100 -0.250 0.000 1.072 181 T CB -0.063 68.585 68.868 -0.368 0.000 0.937 181 T HN 0.087 nan 8.240 nan 0.000 0.528 182 L N -0.271 120.861 121.223 -0.152 0.000 2.858 182 L HA 0.377 4.621 4.340 -0.160 0.000 0.251 182 L C 0.386 177.213 176.870 -0.073 0.000 1.149 182 L CA -0.306 54.474 54.840 -0.099 0.000 0.955 182 L CB 0.441 42.438 42.059 -0.105 0.000 1.289 182 L HN 0.138 nan 8.230 nan 0.000 0.542 183 D N 0.888 121.238 120.400 -0.082 0.000 2.325 183 D HA 0.021 4.564 4.640 -0.160 0.000 0.251 183 D C 0.356 176.628 176.300 -0.047 0.000 1.196 183 D CA 0.145 54.108 54.000 -0.061 0.000 0.866 183 D CB 1.342 42.103 40.800 -0.065 0.000 1.101 183 D HN 0.058 nan 8.370 nan 0.000 0.476 184 D N 1.071 121.451 120.400 -0.032 0.000 2.317 184 D HA -0.115 4.429 4.640 -0.160 0.000 0.211 184 D C 1.575 177.863 176.300 -0.020 0.000 0.966 184 D CA 0.527 54.514 54.000 -0.023 0.000 0.876 184 D CB 0.226 41.018 40.800 -0.013 0.000 0.927 184 D HN 0.373 nan 8.370 nan 0.000 0.519 185 S N -0.200 115.487 115.700 -0.022 0.000 2.631 185 S HA 0.087 4.461 4.470 -0.160 0.000 0.217 185 S C 0.841 175.430 174.600 -0.018 0.000 0.958 185 S CA -0.327 57.862 58.200 -0.018 0.000 0.920 185 S CB -0.278 62.912 63.200 -0.017 0.000 0.776 185 S HN 0.086 nan 8.310 nan 0.000 0.517 186 L N 3.283 124.491 121.223 -0.024 0.000 2.290 186 L HA 0.380 4.624 4.340 -0.160 0.000 0.284 186 L C 0.971 177.832 176.870 -0.016 0.000 1.078 186 L CA -0.659 54.167 54.840 -0.023 0.000 0.815 186 L CB 1.154 43.192 42.059 -0.034 0.000 1.162 186 L HN 0.336 nan 8.230 nan 0.000 0.435 187 S N 2.431 118.126 115.700 -0.009 0.000 2.634 187 S HA 0.136 4.510 4.470 -0.160 0.000 0.254 187 S C 1.095 175.694 174.600 -0.002 0.000 1.299 187 S CA -0.765 57.432 58.200 -0.003 0.000 0.974 187 S CB 1.107 64.308 63.200 0.001 0.000 1.001 187 S HN 0.328 nan 8.310 nan 0.000 0.584 188 V N 1.019 120.935 119.914 0.004 0.000 2.591 188 V HA -0.012 4.012 4.120 -0.160 0.000 0.249 188 V C 2.886 178.987 176.094 0.011 0.000 1.053 188 V CA 1.830 64.135 62.300 0.008 0.000 1.068 188 V CB -1.626 30.206 31.823 0.014 0.000 0.689 188 V HN 0.965 nan 8.190 nan 0.000 0.462 189 A N -0.187 122.641 122.820 0.012 0.000 1.933 189 A HA -0.227 3.997 4.320 -0.160 0.000 0.218 189 A C 1.996 179.590 177.584 0.017 0.000 1.175 189 A CA 1.864 53.911 52.037 0.017 0.000 0.628 189 A CB -0.493 18.516 19.000 0.014 0.000 0.814 189 A HN 0.528 nan 8.150 nan 0.000 0.444 190 D N 0.211 120.617 120.400 0.010 0.000 2.097 190 D HA -0.122 4.422 4.640 -0.160 0.000 0.195 190 D C 1.964 178.269 176.300 0.008 0.000 0.989 190 D CA 1.189 55.194 54.000 0.008 0.000 0.827 190 D CB -0.341 40.458 40.800 -0.002 0.000 0.966 190 D HN 0.453 nan 8.370 nan 0.000 0.456 191 L N 0.558 121.779 121.223 -0.003 0.000 2.131 191 L HA -0.132 4.112 4.340 -0.160 0.000 0.210 191 L C 2.579 179.452 176.870 0.004 0.000 1.092 191 L CA 0.456 55.289 54.840 -0.012 0.000 0.759 191 L CB -0.263 41.781 42.059 -0.025 0.000 0.903 191 L HN -0.071 nan 8.230 nan 0.000 0.435 192 V N 0.026 119.951 119.914 0.018 0.000 2.307 192 V HA -0.256 3.768 4.120 -0.160 0.000 0.245 192 V C 2.752 178.873 176.094 0.045 0.000 1.045 192 V CA 1.763 64.083 62.300 0.034 0.000 1.024 192 V CB -0.782 31.068 31.823 0.046 0.000 0.651 192 V HN 0.471 nan 8.190 nan 0.000 0.449 193 A N -0.244 122.603 122.820 0.045 0.000 1.933 193 A HA -0.193 4.031 4.320 -0.160 0.000 0.218 193 A C 2.131 179.757 177.584 0.070 0.000 1.175 193 A CA 1.993 54.063 52.037 0.056 0.000 0.628 193 A CB -0.534 18.494 19.000 0.047 0.000 0.814 193 A HN 0.447 nan 8.150 nan 0.000 0.444 194 L N -0.434 120.826 121.223 0.062 0.000 2.217 194 L HA -0.029 4.215 4.340 -0.160 0.000 0.211 194 L C 2.305 179.235 176.870 0.100 0.000 1.107 194 L CA 2.455 57.350 54.840 0.093 0.000 0.783 194 L CB -0.987 41.097 42.059 0.041 0.000 0.919 194 L HN 0.341 nan 8.230 nan 0.000 0.442 195 T N -0.393 114.191 114.554 0.051 0.000 2.777 195 T HA -0.120 4.133 4.350 -0.160 0.000 0.266 195 T C 1.941 176.665 174.700 0.040 0.000 1.040 195 T CA 1.666 63.785 62.100 0.031 0.000 1.141 195 T CB -0.205 68.662 68.868 -0.001 0.000 0.868 195 T HN 0.277 nan 8.240 nan 0.000 0.444 196 L N 0.604 121.855 121.223 0.046 0.000 2.093 196 L HA -0.039 4.205 4.340 -0.160 0.000 0.208 196 L C 2.759 179.660 176.870 0.052 0.000 1.085 196 L CA 1.308 56.173 54.840 0.041 0.000 0.755 196 L CB -0.422 41.680 42.059 0.071 0.000 0.904 196 L HN 0.339 nan 8.230 nan 0.000 0.435 197 E N -0.346 119.907 120.200 0.088 0.000 2.106 197 E HA -0.194 4.060 4.350 -0.160 0.000 0.192 197 E C 1.935 178.592 176.600 0.095 0.000 0.984 197 E CA 1.592 58.046 56.400 0.090 0.000 0.806 197 E CB 0.155 29.954 29.700 0.164 0.000 0.750 197 E HN 0.359 nan 8.360 nan 0.000 0.458 198 T N -0.201 114.477 114.554 0.207 0.000 2.708 198 T HA -0.135 4.119 4.350 -0.160 0.000 0.266 198 T C 1.713 176.505 174.700 0.153 0.000 1.037 198 T CA 1.273 63.542 62.100 0.282 0.000 1.146 198 T CB -0.711 68.304 68.868 0.245 0.000 0.865 198 T HN 0.433 nan 8.240 nan 0.000 0.435 199 G N 1.459 110.305 108.800 0.078 0.000 2.469 199 G HA2 -0.291 3.573 3.960 -0.160 0.000 0.219 199 G HA3 -0.291 3.573 3.960 -0.160 0.000 0.219 199 G C 1.501 176.409 174.900 0.013 0.000 1.150 199 G CA 1.203 46.325 45.100 0.036 0.000 0.763 199 G HN 0.448 nan 8.290 nan 0.000 0.561 200 K N -0.433 119.945 120.400 -0.037 0.000 2.009 200 K HA -0.081 4.142 4.320 -0.160 0.000 0.210 200 K C 2.191 178.647 176.600 -0.239 0.000 1.049 200 K CA 1.304 57.496 56.287 -0.157 0.000 0.929 200 K CB -0.334 32.014 32.500 -0.253 0.000 0.714 200 K HN 0.321 nan 8.250 nan 0.000 0.440 201 F N 0.479 120.289 119.950 -0.233 0.000 2.408 201 F HA -0.043 4.384 4.527 -0.167 0.000 0.300 201 F C 2.212 177.995 175.800 -0.028 0.000 1.090 201 F CA 1.073 58.950 58.000 -0.204 0.000 1.427 201 F CB -0.440 38.295 39.000 -0.442 0.000 1.070 201 F HN 0.234 nan 8.300 nan 0.000 0.549 202 G N -0.220 108.661 108.800 0.134 0.000 2.404 202 G HA2 -0.184 3.680 3.960 -0.160 0.000 0.215 202 G HA3 -0.184 3.680 3.960 -0.160 0.000 0.215 202 G C 1.798 176.784 174.900 0.143 0.000 1.174 202 G CA 1.035 46.231 45.100 0.160 0.000 0.780 202 G HN 0.230 nan 8.290 nan 0.000 0.537 203 V N 1.224 121.186 119.914 0.081 0.000 2.407 203 V HA -0.182 3.842 4.120 -0.160 0.000 0.248 203 V C 3.088 179.214 176.094 0.053 0.000 1.055 203 V CA 2.156 64.517 62.300 0.103 0.000 1.049 203 V CB -0.449 31.409 31.823 0.058 0.000 0.662 203 V HN 0.344 nan 8.190 nan 0.000 0.455 204 S N 0.230 115.922 115.700 -0.014 0.000 2.368 204 S HA -0.111 4.263 4.470 -0.160 0.000 0.224 204 S C 2.256 176.861 174.600 0.008 0.000 1.029 204 S CA 1.316 59.495 58.200 -0.035 0.000 0.988 204 S CB -0.445 62.708 63.200 -0.078 0.000 0.838 204 S HN 0.651 nan 8.310 nan 0.000 0.462 205 A N 1.772 124.646 122.820 0.091 0.000 1.877 205 A HA -0.066 4.157 4.320 -0.160 0.000 0.216 205 A C 2.163 179.776 177.584 0.048 0.000 1.186 205 A CA 1.515 53.631 52.037 0.132 0.000 0.620 205 A CB -0.652 18.489 19.000 0.235 0.000 0.822 205 A HN 0.464 nan 8.150 nan 0.000 0.443 206 M N -0.609 118.991 119.600 -0.000 0.000 2.159 206 M HA -0.137 4.247 4.480 -0.160 0.000 0.263 206 M C 2.471 178.455 176.300 -0.526 0.000 1.063 206 M CA 1.374 56.549 55.300 -0.208 0.000 1.110 206 M CB -0.398 32.161 32.600 -0.068 0.000 1.374 206 M HN 0.493 nan 8.290 nan 0.000 0.411 207 A N 0.095 122.548 122.820 -0.613 0.000 1.969 207 A HA -0.110 4.113 4.320 -0.160 0.000 0.218 207 A C 2.063 179.438 177.584 -0.348 0.000 1.169 207 A CA 1.102 52.647 52.037 -0.821 0.000 0.635 207 A CB -0.600 18.168 19.000 -0.387 0.000 0.810 207 A HN 0.427 nan 8.150 nan 0.000 0.445 208 L N -0.945 120.174 121.223 -0.173 0.000 2.109 208 L HA -0.018 4.226 4.340 -0.160 0.000 0.207 208 L C 2.138 178.989 176.870 -0.032 0.000 1.086 208 L CA 1.590 56.395 54.840 -0.059 0.000 0.760 208 L CB -0.389 41.677 42.059 0.012 0.000 0.910 208 L HN 0.349 nan 8.230 nan 0.000 0.437 209 L N -0.634 120.562 121.223 -0.045 0.000 2.131 209 L HA -0.102 4.142 4.340 -0.160 0.000 0.206 209 L C 2.020 178.891 176.870 0.002 0.000 1.087 209 L CA 1.999 56.845 54.840 0.010 0.000 0.767 209 L CB -0.818 41.245 42.059 0.007 0.000 0.917 209 L HN 0.451 nan 8.230 nan 0.000 0.441 210 D N -0.507 119.841 120.400 -0.088 0.000 2.117 210 D HA -0.198 4.346 4.640 -0.160 0.000 0.197 210 D C 2.117 178.471 176.300 0.091 0.000 0.987 210 D CA 1.458 55.471 54.000 0.021 0.000 0.829 210 D CB 0.057 40.806 40.800 -0.086 0.000 0.961 210 D HN 0.437 nan 8.370 nan 0.000 0.460 211 A N 0.451 123.286 122.820 0.025 0.000 1.873 211 A HA 0.079 4.303 4.320 -0.160 0.000 0.215 211 A C 2.395 179.997 177.584 0.029 0.000 1.186 211 A CA 2.026 54.088 52.037 0.042 0.000 0.616 211 A CB -1.158 17.849 19.000 0.011 0.000 0.823 211 A HN 0.336 nan 8.150 nan 0.000 0.442 212 A N 0.318 123.157 122.820 0.032 0.000 1.883 212 A HA -0.219 4.005 4.320 -0.160 0.000 0.217 212 A C 1.999 179.608 177.584 0.043 0.000 1.186 212 A CA 1.870 53.927 52.037 0.034 0.000 0.624 212 A CB -0.664 18.377 19.000 0.069 0.000 0.822 212 A HN 0.553 nan 8.150 nan 0.000 0.444 213 N N -0.779 117.990 118.700 0.115 0.000 2.058 213 N HA -0.124 4.520 4.740 -0.160 0.000 0.191 213 N C 1.954 177.615 175.510 0.252 0.000 1.037 213 N CA 1.988 55.161 53.050 0.204 0.000 0.848 213 N CB -0.866 37.792 38.487 0.285 0.000 1.021 213 N HN 0.519 nan 8.380 nan 0.000 0.422 214 T N -0.047 114.631 114.554 0.205 0.000 2.821 214 T HA -0.034 4.220 4.350 -0.160 0.000 0.267 214 T C 1.807 176.434 174.700 -0.121 0.000 1.046 214 T CA 1.542 63.671 62.100 0.048 0.000 1.139 214 T CB -0.525 68.281 68.868 -0.102 0.000 0.871 214 T HN 0.349 nan 8.240 nan 0.000 0.454 215 G N -0.177 108.562 108.800 -0.101 0.000 2.422 215 G HA2 -0.106 3.758 3.960 -0.160 0.000 0.218 215 G HA3 -0.106 3.758 3.960 -0.160 0.000 0.218 215 G C 1.658 176.448 174.900 -0.184 0.000 1.140 215 G CA 1.384 46.404 45.100 -0.132 0.000 0.775 215 G HN 0.535 nan 8.290 nan 0.000 0.545 216 T N -0.628 113.761 114.554 -0.275 0.000 2.983 216 T HA 0.069 4.323 4.350 -0.160 0.000 0.250 216 T C 1.554 175.828 174.700 -0.711 0.000 1.037 216 T CA 0.615 62.385 62.100 -0.550 0.000 1.142 216 T CB -0.121 68.246 68.868 -0.834 0.000 0.876 216 T HN 0.402 nan 8.240 nan 0.000 0.455 217 Y N 1.040 121.279 120.300 -0.103 0.000 2.531 217 Y HA 0.489 4.941 4.550 -0.163 0.000 0.249 217 Y C 1.361 177.285 175.900 0.041 0.000 1.168 217 Y CA -0.315 57.686 58.100 -0.165 0.000 1.226 217 Y CB 0.461 38.631 38.460 -0.484 0.000 1.177 217 Y HN 0.356 nan 8.280 nan 0.000 0.527 218 G N 0.291 109.135 108.800 0.073 0.000 2.730 218 G HA2 -0.203 3.661 3.960 -0.160 0.000 0.686 218 G HA3 -0.203 3.661 3.960 -0.160 0.000 0.686 218 G C -1.080 173.783 174.900 -0.061 0.000 1.343 218 G CA -1.065 44.026 45.100 -0.015 0.000 0.826 218 G HN 0.292 nan 8.290 nan 0.000 0.582 219 H N 0.988 120.028 119.070 -0.051 0.000 2.722 219 H HA 0.339 4.798 4.556 -0.162 0.000 0.328 219 H C -1.674 173.497 175.328 -0.262 0.000 1.067 219 H CA -0.683 55.269 56.048 -0.160 0.000 1.447 219 H CB 0.743 30.420 29.762 -0.141 0.000 1.469 219 H HN 0.264 nan 8.280 nan 0.000 0.544 220 P HA -0.036 nan 4.420 nan 0.000 0.266 220 P C -0.173 177.010 177.300 -0.195 0.000 1.193 220 P CA 0.391 63.291 63.100 -0.333 0.000 0.770 220 P CB 0.689 32.207 31.700 -0.304 0.000 0.836 221 E N 1.307 121.403 120.200 -0.174 0.000 2.393 221 E HA 0.464 4.718 4.350 -0.160 0.000 0.273 221 E C -0.717 175.693 176.600 -0.317 0.000 0.918 221 E CA -1.068 55.201 56.400 -0.217 0.000 0.773 221 E CB 0.967 30.595 29.700 -0.120 0.000 1.275 221 E HN 0.162 nan 8.360 nan 0.000 0.451 222 I N 1.942 122.255 120.570 -0.428 0.000 2.943 222 I HA -0.034 4.040 4.170 -0.160 0.000 0.296 222 I C -0.378 175.593 176.117 -0.244 0.000 1.220 222 I CA 1.175 62.180 61.300 -0.491 0.000 1.409 222 I CB -0.170 37.571 38.000 -0.431 0.000 1.374 222 I HN 0.510 nan 8.210 nan 0.000 0.545 223 T N 6.294 120.712 114.554 -0.226 0.000 2.903 223 T HA 0.387 4.641 4.350 -0.160 0.000 0.299 223 T C -0.527 174.172 174.700 -0.001 0.000 1.093 223 T CA -1.036 61.039 62.100 -0.042 0.000 1.002 223 T CB 1.882 70.828 68.868 0.129 0.000 1.127 223 T HN 0.380 nan 8.240 nan 0.000 0.488 224 K N 2.060 122.482 120.400 0.037 0.000 2.389 224 K HA 0.568 4.792 4.320 -0.160 0.000 0.261 224 K C -0.924 175.683 176.600 0.013 0.000 1.014 224 K CA -0.593 55.712 56.287 0.030 0.000 0.920 224 K CB 1.394 33.906 32.500 0.019 0.000 1.149 224 K HN 0.288 nan 8.250 nan 0.000 0.444 225 V N 2.871 122.781 119.914 -0.006 0.000 2.432 225 V HA 0.100 4.124 4.120 -0.160 0.000 0.275 225 V C 0.178 176.194 176.094 -0.130 0.000 1.043 225 V CA -0.952 61.250 62.300 -0.162 0.000 0.925 225 V CB 1.005 32.686 31.823 -0.237 0.000 0.985 225 V HN 0.669 nan 8.190 nan 0.000 0.466 226 N N 3.983 122.593 118.700 -0.150 0.000 2.488 226 N HA 0.285 4.929 4.740 -0.160 0.000 0.274 226 N C 0.551 176.036 175.510 -0.043 0.000 1.111 226 N CA -0.425 52.586 53.050 -0.065 0.000 0.974 226 N CB 0.839 39.303 38.487 -0.039 0.000 1.089 226 N HN 0.704 nan 8.380 nan 0.000 0.465 227 I N -0.100 120.473 120.570 0.005 0.000 3.941 227 I HA 0.506 4.580 4.170 -0.160 0.000 0.335 227 I C 0.795 176.961 176.117 0.083 0.000 1.402 227 I CA -0.741 60.583 61.300 0.040 0.000 1.112 227 I CB -0.012 37.994 38.000 0.011 0.000 1.043 227 I HN 0.347 nan 8.210 nan 0.000 0.395 228 G N 1.487 110.345 108.800 0.097 0.000 2.557 228 G HA2 0.615 4.479 3.960 -0.160 0.000 0.302 228 G HA3 0.615 4.479 3.960 -0.160 0.000 0.302 228 G C -0.353 174.685 174.900 0.230 0.000 1.311 228 G CA -0.082 45.091 45.100 0.121 0.000 1.030 228 G HN 0.205 nan 8.290 nan 0.000 0.509 229 V N -2.929 117.111 119.914 0.211 0.000 3.126 229 V HA 0.996 5.019 4.120 -0.160 0.000 0.314 229 V C 0.598 176.814 176.094 0.202 0.000 1.138 229 V CA -0.114 62.359 62.300 0.287 0.000 1.034 229 V CB 1.314 33.195 31.823 0.096 0.000 1.075 229 V HN 1.147 nan 8.190 nan 0.000 0.442 230 G N 0.273 109.234 108.800 0.268 0.000 2.702 230 G HA2 0.531 4.395 3.960 -0.160 0.000 0.254 230 G HA3 0.531 4.395 3.960 -0.160 0.000 0.254 230 G C 0.555 175.499 174.900 0.073 0.000 1.380 230 G CA 0.087 45.277 45.100 0.151 0.000 1.042 230 G HN 1.559 nan 8.290 nan 0.000 0.557 231 S N -1.212 114.518 115.700 0.049 0.000 2.540 231 S HA 0.204 4.578 4.470 -0.160 0.000 0.222 231 S C 0.358 174.959 174.600 0.001 0.000 1.008 231 S CA -0.453 57.753 58.200 0.009 0.000 0.939 231 S CB 0.076 63.282 63.200 0.010 0.000 0.865 231 S HN 0.324 nan 8.310 nan 0.000 0.499 232 N N 3.691 122.409 118.700 0.030 0.000 2.515 232 N HA 0.467 5.111 4.740 -0.160 0.000 0.279 232 N C -2.634 172.879 175.510 0.005 0.000 1.164 232 N CA -1.699 51.365 53.050 0.024 0.000 0.982 232 N CB 0.298 38.816 38.487 0.050 0.000 1.170 232 N HN 0.195 nan 8.380 nan 0.000 0.474 233 P HA 0.188 nan 4.420 nan 0.000 0.270 233 P C -0.269 177.034 177.300 0.006 0.000 1.227 233 P CA -0.156 62.911 63.100 -0.055 0.000 0.788 233 P CB 0.613 32.293 31.700 -0.033 0.000 0.926 234 G N -0.118 108.670 108.800 -0.021 0.000 2.682 234 G HA2 0.639 4.503 3.960 -0.160 0.000 0.290 234 G HA3 0.639 4.503 3.960 -0.160 0.000 0.290 234 G C -1.669 173.394 174.900 0.272 0.000 1.425 234 G CA -0.775 44.438 45.100 0.188 0.000 0.807 234 G HN 0.421 nan 8.290 nan 0.000 0.482 235 I N 0.323 121.078 120.570 0.309 0.000 2.465 235 I HA 0.372 4.446 4.170 -0.160 0.000 0.291 235 I C -1.065 175.031 176.117 -0.034 0.000 1.014 235 I CA -0.808 60.557 61.300 0.109 0.000 1.093 235 I CB 2.176 40.139 38.000 -0.061 0.000 1.267 235 I HN 0.297 nan 8.210 nan 0.000 0.431 236 L N 7.778 128.710 121.223 -0.485 0.000 2.272 236 L HA 0.558 4.802 4.340 -0.160 0.000 0.289 236 L C -0.735 175.876 176.870 -0.432 0.000 1.032 236 L CA -0.054 54.361 54.840 -0.707 0.000 0.810 236 L CB 1.163 42.300 42.059 -1.538 0.000 1.205 236 L HN 0.516 nan 8.230 nan 0.000 0.422 237 I N 4.045 124.466 120.570 -0.250 0.000 2.359 237 I HA 0.497 4.571 4.170 -0.160 0.000 0.294 237 I C -0.210 175.858 176.117 -0.083 0.000 0.987 237 I CA 0.153 61.332 61.300 -0.201 0.000 1.225 237 I CB 1.482 39.345 38.000 -0.228 0.000 1.366 237 I HN 0.728 nan 8.210 nan 0.000 0.466 238 S N 4.118 119.804 115.700 -0.024 0.000 2.715 238 S HA 0.984 5.358 4.470 -0.160 0.000 0.307 238 S C -0.076 174.588 174.600 0.107 0.000 1.119 238 S CA 0.346 58.621 58.200 0.126 0.000 0.937 238 S CB 1.477 64.863 63.200 0.310 0.000 1.150 238 S HN 1.265 nan 8.310 nan 0.000 0.521 239 G N 1.439 110.313 108.800 0.123 0.000 2.445 239 G HA2 -0.098 3.766 3.960 -0.160 0.000 0.212 239 G HA3 -0.098 3.766 3.960 -0.160 0.000 0.212 239 G C -0.358 174.516 174.900 -0.043 0.000 1.217 239 G CA 0.477 45.688 45.100 0.185 0.000 1.002 239 G HN 0.862 nan 8.290 nan 0.000 0.574 240 H N 0.059 119.202 119.070 0.122 0.000 3.643 240 H HA 0.311 4.880 4.556 0.021 0.000 0.256 240 H C 0.456 175.672 175.328 -0.187 0.000 1.107 240 H CA 0.172 56.218 56.048 -0.003 0.000 1.175 240 H CB 0.571 30.348 29.762 0.026 0.000 1.519 240 H HN 0.449 nan 8.280 nan 0.000 0.565 241 D N 1.926 122.353 120.400 0.045 0.000 2.382 241 D HA -0.010 4.534 4.640 -0.160 0.000 0.259 241 D C 0.980 177.255 176.300 -0.041 0.000 1.224 241 D CA 0.131 54.148 54.000 0.029 0.000 0.894 241 D CB 0.906 41.891 40.800 0.308 0.000 1.127 241 D HN 0.313 nan 8.370 nan 0.000 0.487 242 L N 3.747 124.929 121.223 -0.068 0.000 2.270 242 L HA -0.068 4.176 4.340 -0.160 0.000 0.210 242 L C 2.421 179.233 176.870 -0.097 0.000 1.104 242 L CA 0.111 54.841 54.840 -0.184 0.000 0.804 242 L CB -0.213 41.711 42.059 -0.224 0.000 0.937 242 L HN 0.296 nan 8.230 nan 0.000 0.450 243 R N 1.066 121.637 120.500 0.118 0.000 2.083 243 R HA -0.186 4.058 4.340 -0.160 0.000 0.237 243 R C 1.745 178.107 176.300 0.104 0.000 1.137 243 R CA 1.871 58.093 56.100 0.204 0.000 0.951 243 R CB -0.676 29.760 30.300 0.227 0.000 0.851 243 R HN 0.254 nan 8.270 nan 0.000 0.434 244 D N 0.106 120.549 120.400 0.072 0.000 2.149 244 D HA -0.169 4.374 4.640 -0.160 0.000 0.198 244 D C 1.818 178.056 176.300 -0.103 0.000 0.990 244 D CA 1.254 55.300 54.000 0.076 0.000 0.839 244 D CB -0.217 40.627 40.800 0.073 0.000 0.948 244 D HN 0.210 nan 8.370 nan 0.000 0.460 245 L N 1.289 122.344 121.223 -0.280 0.000 2.093 245 L HA -0.125 4.119 4.340 -0.160 0.000 0.208 245 L C 2.116 178.644 176.870 -0.570 0.000 1.085 245 L CA 1.696 56.199 54.840 -0.561 0.000 0.755 245 L CB -0.437 41.081 42.059 -0.901 0.000 0.904 245 L HN -0.039 nan 8.230 nan 0.000 0.435 246 E N -0.765 119.262 120.200 -0.288 0.000 2.072 246 E HA -0.240 4.014 4.350 -0.160 0.000 0.191 246 E C 2.088 178.675 176.600 -0.021 0.000 0.985 246 E CA 1.526 57.916 56.400 -0.018 0.000 0.801 246 E CB -0.139 29.769 29.700 0.348 0.000 0.750 246 E HN 0.588 nan 8.360 nan 0.000 0.452 247 M N 0.187 119.820 119.600 0.055 0.000 2.132 247 M HA -0.109 4.275 4.480 -0.160 0.000 0.263 247 M C 2.471 178.860 176.300 0.148 0.000 1.065 247 M CA 0.741 56.121 55.300 0.135 0.000 1.122 247 M CB -0.259 32.448 32.600 0.178 0.000 1.365 247 M HN 0.208 nan 8.290 nan 0.000 0.411 248 L N 0.976 122.214 121.223 0.026 0.000 2.046 248 L HA -0.136 4.108 4.340 -0.160 0.000 0.208 248 L C 2.065 178.851 176.870 -0.141 0.000 1.077 248 L CA 1.815 56.555 54.840 -0.167 0.000 0.747 248 L CB -0.553 41.179 42.059 -0.545 0.000 0.896 248 L HN 0.240 nan 8.230 nan 0.000 0.432 249 L N -1.001 120.050 121.223 -0.288 0.000 2.109 249 L HA -0.172 4.072 4.340 -0.160 0.000 0.207 249 L C 2.573 179.396 176.870 -0.079 0.000 1.086 249 L CA 1.153 55.788 54.840 -0.342 0.000 0.760 249 L CB -0.469 40.957 42.059 -1.055 0.000 0.910 249 L HN 0.235 nan 8.230 nan 0.000 0.437 250 K N -0.215 120.161 120.400 -0.040 0.000 2.057 250 K HA -0.194 4.030 4.320 -0.160 0.000 0.207 250 K C 2.094 178.779 176.600 0.143 0.000 1.049 250 K CA 1.313 57.703 56.287 0.173 0.000 0.931 250 K CB -0.060 32.552 32.500 0.188 0.000 0.714 250 K HN 0.385 nan 8.250 nan 0.000 0.440 251 Q N -0.270 119.595 119.800 0.109 0.000 2.311 251 Q HA -0.063 4.181 4.340 -0.160 0.000 0.203 251 Q C 1.581 177.609 176.000 0.047 0.000 0.954 251 Q CA 1.475 57.335 55.803 0.096 0.000 0.885 251 Q CB 0.232 29.050 28.738 0.133 0.000 0.963 251 Q HN 0.409 nan 8.270 nan 0.000 0.471 252 T N -2.394 112.179 114.554 0.032 0.000 3.129 252 T HA 0.035 4.289 4.350 -0.160 0.000 0.251 252 T C 0.441 174.961 174.700 -0.300 0.000 1.117 252 T CA -0.157 61.910 62.100 -0.056 0.000 1.034 252 T CB 0.114 69.002 68.868 0.033 0.000 0.968 252 T HN -0.021 nan 8.240 nan 0.000 0.526 253 E N 1.592 121.673 120.200 -0.199 0.000 2.328 253 E HA 0.406 4.659 4.350 -0.160 0.000 0.265 253 E C 1.357 177.870 176.600 -0.145 0.000 1.057 253 E CA 0.905 57.169 56.400 -0.226 0.000 0.916 253 E CB -0.533 29.209 29.700 0.069 0.000 0.993 253 E HN 0.416 nan 8.360 nan 0.000 0.446 254 G N 3.187 111.881 108.800 -0.176 0.000 2.179 254 G HA2 -0.347 3.517 3.960 -0.160 0.000 0.260 254 G HA3 -0.347 3.517 3.960 -0.160 0.000 0.260 254 G C 0.938 175.797 174.900 -0.068 0.000 0.977 254 G CA 0.823 45.874 45.100 -0.082 0.000 0.641 254 G HN 0.769 nan 8.290 nan 0.000 0.533 255 T N -2.242 112.255 114.554 -0.094 0.000 3.081 255 T HA 0.439 4.693 4.350 -0.160 0.000 0.250 255 T C 2.415 177.093 174.700 -0.038 0.000 1.100 255 T CA 1.594 63.663 62.100 -0.051 0.000 1.038 255 T CB 0.382 69.225 68.868 -0.042 0.000 0.962 255 T HN 2.173 nan 8.240 nan 0.000 0.516 256 G N 0.786 109.556 108.800 -0.050 0.000 2.179 256 G HA2 -0.237 3.627 3.960 -0.160 0.000 0.260 256 G HA3 -0.237 3.627 3.960 -0.160 0.000 0.260 256 G C 0.051 174.952 174.900 0.003 0.000 0.977 256 G CA -0.011 45.079 45.100 -0.017 0.000 0.641 256 G HN 0.721 nan 8.290 nan 0.000 0.533 257 V N 2.281 122.192 119.914 -0.006 0.000 2.385 257 V HA 0.417 4.441 4.120 -0.160 0.000 0.269 257 V C 0.259 176.409 176.094 0.093 0.000 1.043 257 V CA -0.947 61.374 62.300 0.035 0.000 0.906 257 V CB 1.379 33.215 31.823 0.022 0.000 0.995 257 V HN 0.246 nan 8.190 nan 0.000 0.467 258 D N 3.044 123.527 120.400 0.138 0.000 2.377 258 D HA 0.462 5.006 4.640 -0.160 0.000 0.245 258 D C -0.289 176.119 176.300 0.180 0.000 1.196 258 D CA -0.048 54.049 54.000 0.163 0.000 0.962 258 D CB 1.889 42.748 40.800 0.098 0.000 1.127 258 D HN 0.284 nan 8.370 nan 0.000 0.471 259 V N 1.223 121.179 119.914 0.070 0.000 2.588 259 V HA 0.334 4.358 4.120 -0.160 0.000 0.304 259 V C -1.053 175.010 176.094 -0.052 0.000 1.042 259 V CA -0.713 61.642 62.300 0.093 0.000 0.877 259 V CB 1.145 33.009 31.823 0.069 0.000 0.996 259 V HN 0.382 nan 8.190 nan 0.000 0.425 260 Y N 1.406 121.733 120.300 0.046 0.000 2.562 260 Y HA 0.726 5.179 4.550 -0.163 0.000 0.343 260 Y C 0.702 176.581 175.900 -0.036 0.000 1.025 260 Y CA -0.788 57.319 58.100 0.012 0.000 1.082 260 Y CB 2.334 40.860 38.460 0.110 0.000 1.264 260 Y HN 0.715 nan 8.280 nan 0.000 0.478 261 T N -1.759 112.904 114.554 0.180 0.000 2.950 261 T HA 0.474 4.728 4.350 -0.160 0.000 0.288 261 T C -1.276 173.539 174.700 0.192 0.000 1.035 261 T CA -0.658 61.515 62.100 0.123 0.000 1.028 261 T CB 1.868 70.797 68.868 0.102 0.000 1.109 261 T HN 0.795 nan 8.240 nan 0.000 0.514 262 H N 0.288 119.376 119.070 0.031 0.000 2.947 262 H HA 0.421 4.881 4.556 -0.160 0.000 0.354 262 H C 0.368 175.714 175.328 0.030 0.000 1.085 262 H CA 0.452 56.526 56.048 0.044 0.000 1.253 262 H CB 1.943 31.748 29.762 0.071 0.000 1.757 262 H HN 0.959 nan 8.280 nan 0.000 0.523 263 S N 2.992 118.322 115.700 -0.618 0.000 4.155 263 S HA -0.249 4.125 4.470 -0.160 0.000 0.576 263 S C 1.168 175.758 174.600 -0.016 0.000 1.870 263 S CA 1.608 59.539 58.200 -0.449 0.000 4.248 263 S CB -1.204 61.728 63.200 -0.445 0.000 0.215 263 S HN 0.851 nan 8.310 nan 0.000 0.460 264 E N 0.703 120.853 120.200 -0.084 0.000 2.502 264 E HA 0.133 4.387 4.350 -0.160 0.000 0.194 264 E C 1.193 177.697 176.600 -0.160 0.000 1.062 264 E CA 0.210 56.510 56.400 -0.166 0.000 0.867 264 E CB -0.056 29.264 29.700 -0.632 0.000 0.888 264 E HN 0.463 nan 8.360 nan 0.000 0.510 265 M N 0.083 119.633 119.600 -0.083 0.000 2.428 265 M HA 0.042 4.426 4.480 -0.160 0.000 0.239 265 M C 1.764 178.047 176.300 -0.027 0.000 1.121 265 M CA 0.023 55.281 55.300 -0.071 0.000 1.019 265 M CB -0.369 32.195 32.600 -0.060 0.000 1.485 265 M HN 0.104 nan 8.290 nan 0.000 0.484 266 L N 2.265 123.496 121.223 0.014 0.000 2.012 266 L HA -0.048 4.196 4.340 -0.160 0.000 0.210 266 L C -0.964 175.792 176.870 -0.190 0.000 1.073 266 L CA 2.393 57.261 54.840 0.048 0.000 0.748 266 L CB -1.892 40.193 42.059 0.044 0.000 0.891 266 L HN 0.074 nan 8.230 nan 0.000 0.431 267 P HA -0.149 nan 4.420 nan 0.000 0.221 267 P C 1.542 178.771 177.300 -0.118 0.000 1.145 267 P CA 1.768 64.534 63.100 -0.556 0.000 0.795 267 P CB -0.272 31.396 31.700 -0.054 0.000 0.775 268 A N -0.802 122.027 122.820 0.015 0.000 2.024 268 A HA -0.252 3.972 4.320 -0.160 0.000 0.220 268 A C 1.989 179.796 177.584 0.370 0.000 1.164 268 A CA 1.400 53.525 52.037 0.146 0.000 0.643 268 A CB -1.572 17.306 19.000 -0.203 0.000 0.806 268 A HN 0.267 nan 8.150 nan 0.000 0.451 269 H N -1.808 117.415 119.070 0.255 0.000 2.489 269 H HA -0.106 4.353 4.556 -0.162 0.000 0.293 269 H C 1.176 176.786 175.328 0.470 0.000 1.066 269 H CA 1.442 57.713 56.048 0.371 0.000 1.305 269 H CB -0.151 29.684 29.762 0.121 0.000 1.386 269 H HN 0.821 nan 8.280 nan 0.000 0.551 270 Y N -0.977 119.566 120.300 0.406 0.000 2.546 270 Y HA -0.048 4.407 4.550 -0.159 0.000 0.287 270 Y C 0.144 176.095 175.900 0.086 0.000 1.158 270 Y CA -0.532 57.679 58.100 0.186 0.000 1.307 270 Y CB 0.162 38.667 38.460 0.077 0.000 1.036 270 Y HN 0.016 nan 8.280 nan 0.000 0.532 271 Y N 0.893 121.377 120.300 0.307 0.000 2.313 271 Y HA 0.186 4.637 4.550 -0.165 0.000 0.332 271 Y C -1.607 174.361 175.900 0.113 0.000 1.071 271 Y CA -3.085 55.113 58.100 0.164 0.000 1.169 271 Y CB 0.687 39.190 38.460 0.072 0.000 1.192 271 Y HN -0.141 nan 8.280 nan 0.000 0.487 272 P HA -0.254 nan 4.420 nan 0.000 0.215 272 P C 1.201 178.552 177.300 0.086 0.000 1.153 272 P CA 2.440 65.605 63.100 0.109 0.000 0.853 272 P CB 0.252 31.987 31.700 0.057 0.000 0.788 273 A N -0.872 121.962 122.820 0.022 0.000 1.865 273 A HA -0.207 4.017 4.320 -0.160 0.000 0.217 273 A C 2.012 179.624 177.584 0.046 0.000 1.191 273 A CA 1.657 53.665 52.037 -0.048 0.000 0.623 273 A CB -1.932 16.982 19.000 -0.143 0.000 0.826 273 A HN 0.178 nan 8.150 nan 0.000 0.444 274 F N -0.116 119.934 119.950 0.167 0.000 2.546 274 F HA -0.053 4.375 4.527 -0.164 0.000 0.298 274 F C 2.020 177.936 175.800 0.194 0.000 1.120 274 F CA 0.747 58.791 58.000 0.073 0.000 1.456 274 F CB 0.008 38.829 39.000 -0.298 0.000 1.088 274 F HN 0.165 nan 8.300 nan 0.000 0.572 275 K N 0.550 121.154 120.400 0.341 0.000 2.486 275 K HA -0.051 4.172 4.320 -0.160 0.000 0.194 275 K C 1.159 177.872 176.600 0.188 0.000 1.033 275 K CA 0.532 56.994 56.287 0.293 0.000 1.004 275 K CB -0.050 32.581 32.500 0.219 0.000 0.798 275 K HN 0.288 nan 8.250 nan 0.000 0.495 276 K N 0.304 120.763 120.400 0.099 0.000 2.417 276 K HA 0.046 4.270 4.320 -0.160 0.000 0.196 276 K C -0.609 175.870 176.600 -0.203 0.000 1.023 276 K CA 0.185 56.415 56.287 -0.095 0.000 1.122 276 K CB 0.310 32.672 32.500 -0.229 0.000 0.850 276 K HN 0.050 nan 8.250 nan 0.000 0.521 277 Y N -0.123 120.213 120.300 0.061 0.000 2.334 277 Y HA 0.260 4.715 4.550 -0.159 0.000 0.336 277 Y C 1.127 177.048 175.900 0.035 0.000 0.960 277 Y CA -0.841 57.271 58.100 0.020 0.000 1.164 277 Y CB 1.420 39.765 38.460 -0.191 0.000 1.155 277 Y HN -0.068 nan 8.280 nan 0.000 0.478 278 A N 2.106 125.074 122.820 0.247 0.000 1.978 278 A HA -0.220 4.004 4.320 -0.160 0.000 0.220 278 A C 1.745 179.449 177.584 0.201 0.000 1.170 278 A CA 1.950 54.107 52.037 0.201 0.000 0.636 278 A CB -0.814 18.293 19.000 0.178 0.000 0.810 278 A HN 0.917 nan 8.150 nan 0.000 0.448 279 H N -3.153 116.007 119.070 0.151 0.000 2.543 279 H HA 0.107 4.567 4.556 -0.159 0.000 0.269 279 H C -0.081 175.310 175.328 0.105 0.000 1.005 279 H CA -0.470 55.634 56.048 0.093 0.000 1.146 279 H CB -0.661 29.145 29.762 0.073 0.000 1.353 279 H HN 0.316 nan 8.280 nan 0.000 0.595 280 F N 3.443 123.207 119.950 -0.310 0.000 2.566 280 F HA 0.380 4.808 4.527 -0.164 0.000 0.349 280 F C 0.872 176.570 175.800 -0.171 0.000 1.245 280 F CA -0.753 57.070 58.000 -0.294 0.000 1.169 280 F CB -0.475 38.382 39.000 -0.237 0.000 1.470 280 F HN 0.324 nan 8.300 nan 0.000 0.634 281 K N 3.396 123.533 120.400 -0.438 0.000 3.017 281 K HA 0.546 4.770 4.320 -0.160 0.000 0.359 281 K C 1.032 177.346 176.600 -0.477 0.000 1.033 281 K CA 0.409 56.352 56.287 -0.573 0.000 1.190 281 K CB -1.064 30.664 32.500 -1.287 0.000 1.083 281 K HN 0.709 nan 8.250 nan 0.000 0.470 282 G N -0.821 107.772 108.800 -0.344 0.000 2.890 282 G HA2 0.418 4.282 3.960 -0.160 0.000 0.189 282 G HA3 0.418 4.282 3.960 -0.160 0.000 0.189 282 G C -0.688 174.246 174.900 0.056 0.000 1.342 282 G CA 0.016 45.013 45.100 -0.171 0.000 1.026 282 G HN 0.766 nan 8.290 nan 0.000 0.579 283 N N -1.427 117.297 118.700 0.040 0.000 2.424 283 N HA 0.374 5.018 4.740 -0.160 0.000 0.271 283 N C -1.753 173.911 175.510 0.258 0.000 0.985 283 N CA -0.593 52.563 53.050 0.177 0.000 0.921 283 N CB 1.150 39.679 38.487 0.069 0.000 1.149 283 N HN 0.379 nan 8.380 nan 0.000 0.492 284 Y N 4.614 125.022 120.300 0.180 0.000 2.353 284 Y HA 0.548 5.000 4.550 -0.163 0.000 0.340 284 Y C 0.869 176.835 175.900 0.111 0.000 0.972 284 Y CA 0.908 59.093 58.100 0.143 0.000 1.157 284 Y CB 0.342 38.890 38.460 0.147 0.000 1.157 284 Y HN 0.867 nan 8.280 nan 0.000 0.495 285 G N 4.898 113.504 108.800 -0.323 0.000 2.484 285 G HA2 -0.234 3.630 3.960 -0.160 0.000 0.225 285 G HA3 -0.234 3.630 3.960 -0.160 0.000 0.225 285 G C -0.704 174.016 174.900 -0.300 0.000 1.250 285 G CA -0.067 44.837 45.100 -0.326 0.000 0.926 285 G HN 0.694 nan 8.290 nan 0.000 0.581 286 N N -0.503 117.874 118.700 -0.538 0.000 3.614 286 N HA 0.638 5.282 4.740 -0.160 0.000 0.341 286 N C 0.635 175.214 175.510 -1.552 0.000 1.567 286 N CA 0.054 52.502 53.050 -1.004 0.000 0.641 286 N CB 0.175 38.281 38.487 -0.635 0.000 2.734 286 N HN 1.450 nan 8.380 nan 0.000 0.604 287 A N 1.029 122.994 122.820 -1.426 0.000 2.448 287 A HA 0.045 4.269 4.320 -0.160 0.000 0.239 287 A C 1.448 178.509 177.584 -0.872 0.000 1.080 287 A CA -0.176 51.267 52.037 -0.990 0.000 0.779 287 A CB -0.474 18.208 19.000 -0.529 0.000 1.026 287 A HN 0.799 nan 8.150 nan 0.000 0.499 288 W N 1.409 122.470 121.300 -0.398 0.000 2.305 288 W HA -0.243 4.348 4.660 -0.115 0.000 0.308 288 W C 1.672 178.066 176.519 -0.209 0.000 1.226 288 W CA 1.648 58.882 57.345 -0.185 0.000 1.253 288 W CB -1.298 28.160 29.460 -0.004 0.000 1.146 288 W HN 0.896 nan 8.180 nan 0.000 0.507 289 W N 1.784 122.292 121.300 -1.321 0.000 2.632 289 W HA 0.034 4.590 4.660 -0.173 0.000 0.248 289 W C 0.828 177.013 176.519 -0.557 0.000 1.259 289 W CA 0.741 57.410 57.345 -1.126 0.000 1.288 289 W CB -1.342 27.152 29.460 -1.611 0.000 1.136 289 W HN 0.020 nan 8.180 nan 0.000 0.640 290 K N 1.305 121.169 120.400 -0.894 0.000 2.437 290 K HA -0.009 4.215 4.320 -0.160 0.000 0.205 290 K C 2.054 178.349 176.600 -0.508 0.000 1.026 290 K CA 0.169 56.030 56.287 -0.710 0.000 1.153 290 K CB 0.173 32.114 32.500 -0.931 0.000 0.863 290 K HN 0.339 nan 8.250 nan 0.000 0.502 291 Q N 0.613 120.076 119.800 -0.562 0.000 2.224 291 Q HA -0.094 4.150 4.340 -0.160 0.000 0.203 291 Q C 1.286 176.886 176.000 -0.666 0.000 0.970 291 Q CA 1.033 56.250 55.803 -0.977 0.000 0.865 291 Q CB -0.146 27.569 28.738 -1.706 0.000 0.922 291 Q HN 0.081 nan 8.270 nan 0.000 0.445 292 K N 0.364 120.584 120.400 -0.299 0.000 2.209 292 K HA -0.147 4.077 4.320 -0.160 0.000 0.204 292 K C 1.534 178.109 176.600 -0.042 0.000 1.048 292 K CA 1.571 57.842 56.287 -0.027 0.000 0.940 292 K CB 0.167 32.690 32.500 0.038 0.000 0.729 292 K HN 0.269 nan 8.250 nan 0.000 0.451 293 E N 0.561 120.677 120.200 -0.140 0.000 2.079 293 E HA -0.051 4.203 4.350 -0.160 0.000 0.191 293 E C 1.715 178.257 176.600 -0.097 0.000 0.961 293 E CA 0.864 57.205 56.400 -0.099 0.000 0.823 293 E CB 0.080 29.705 29.700 -0.126 0.000 0.789 293 E HN 0.216 nan 8.360 nan 0.000 0.459 294 E N -0.277 119.828 120.200 -0.159 0.000 2.152 294 E HA -0.086 4.168 4.350 -0.160 0.000 0.192 294 E C 1.421 178.106 176.600 0.142 0.000 0.983 294 E CA 0.539 56.934 56.400 -0.009 0.000 0.818 294 E CB -0.052 29.597 29.700 -0.085 0.000 0.758 294 E HN 0.125 nan 8.360 nan 0.000 0.467 295 F N 1.208 120.944 119.950 -0.357 0.000 2.234 295 F HA -0.089 4.338 4.527 -0.166 0.000 0.299 295 F C 2.255 177.776 175.800 -0.465 0.000 1.087 295 F CA 1.039 58.704 58.000 -0.559 0.000 1.340 295 F CB -0.547 37.840 39.000 -1.022 0.000 1.031 295 F HN 0.099 nan 8.300 nan 0.000 0.500 296 E N 0.243 120.333 120.200 -0.183 0.000 2.046 296 E HA -0.149 4.105 4.350 -0.160 0.000 0.190 296 E C 2.129 178.749 176.600 0.033 0.000 0.982 296 E CA 1.401 57.790 56.400 -0.018 0.000 0.800 296 E CB -0.021 29.735 29.700 0.094 0.000 0.756 296 E HN 0.276 nan 8.360 nan 0.000 0.449 297 S N -0.363 115.379 115.700 0.070 0.000 2.555 297 S HA -0.084 4.290 4.470 -0.160 0.000 0.230 297 S C 1.579 176.206 174.600 0.046 0.000 0.978 297 S CA 0.080 58.329 58.200 0.081 0.000 0.934 297 S CB -0.293 62.980 63.200 0.121 0.000 0.766 297 S HN 0.366 nan 8.310 nan 0.000 0.533 298 F N 2.941 122.808 119.950 -0.138 0.000 2.456 298 F HA 0.082 4.516 4.527 -0.154 0.000 0.298 298 F C 1.172 176.757 175.800 -0.359 0.000 1.104 298 F CA 0.904 58.612 58.000 -0.488 0.000 1.435 298 F CB -0.210 38.446 39.000 -0.573 0.000 1.078 298 F HN 0.142 nan 8.300 nan 0.000 0.546 299 N N -0.848 117.735 118.700 -0.196 0.000 2.624 299 N HA -0.212 4.432 4.740 -0.160 0.000 0.222 299 N C 0.877 176.291 175.510 -0.160 0.000 0.908 299 N CA 1.400 54.338 53.050 -0.187 0.000 1.919 299 N CB -1.803 36.530 38.487 -0.257 0.000 0.893 299 N HN 0.470 nan 8.380 nan 0.000 0.549 300 G N 1.426 110.097 108.800 -0.215 0.000 2.557 300 G HA2 0.560 4.424 3.960 -0.160 0.000 0.292 300 G HA3 0.560 4.424 3.960 -0.160 0.000 0.292 300 G C -2.612 172.330 174.900 0.069 0.000 1.237 300 G CA -0.686 44.380 45.100 -0.056 0.000 0.978 300 G HN 0.020 nan 8.290 nan 0.000 0.498 301 P HA 0.214 nan 4.420 nan 0.000 0.267 301 P C -0.588 176.619 177.300 -0.155 0.000 1.200 301 P CA -0.151 62.895 63.100 -0.091 0.000 0.772 301 P CB 0.979 32.625 31.700 -0.090 0.000 0.855 302 V N 3.945 123.736 119.914 -0.204 0.000 2.407 302 V HA 0.280 4.304 4.120 -0.160 0.000 0.291 302 V C -0.245 175.691 176.094 -0.264 0.000 1.018 302 V CA -0.623 61.393 62.300 -0.473 0.000 0.842 302 V CB 1.401 32.666 31.823 -0.930 0.000 0.996 302 V HN 0.342 nan 8.190 nan 0.000 0.426 303 L N 6.468 127.530 121.223 -0.268 0.000 2.272 303 L HA 0.548 4.792 4.340 -0.160 0.000 0.289 303 L C -0.768 176.037 176.870 -0.109 0.000 1.032 303 L CA 0.033 54.783 54.840 -0.150 0.000 0.810 303 L CB 1.009 42.914 42.059 -0.255 0.000 1.205 303 L HN 0.418 nan 8.230 nan 0.000 0.422 304 L N 5.852 127.075 121.223 -0.000 0.000 2.264 304 L HA 0.303 4.547 4.340 -0.160 0.000 0.287 304 L C 1.362 178.290 176.870 0.097 0.000 1.039 304 L CA 0.039 54.926 54.840 0.078 0.000 0.829 304 L CB 0.968 43.115 42.059 0.146 0.000 1.211 304 L HN 0.897 nan 8.230 nan 0.000 0.427 305 T N -1.351 113.263 114.554 0.100 0.000 3.014 305 T HA 0.036 4.290 4.350 -0.160 0.000 0.263 305 T C 0.892 175.682 174.700 0.151 0.000 1.078 305 T CA 0.886 63.059 62.100 0.122 0.000 1.135 305 T CB 0.286 69.231 68.868 0.128 0.000 0.895 305 T HN 0.616 nan 8.240 nan 0.000 0.480 306 T N 0.032 114.704 114.554 0.196 0.000 2.612 306 T HA 0.413 4.667 4.350 -0.160 0.000 0.296 306 T C -1.117 173.708 174.700 0.208 0.000 1.148 306 T CA -0.975 61.224 62.100 0.165 0.000 1.077 306 T CB 0.773 69.922 68.868 0.468 0.000 1.591 306 T HN 0.396 nan 8.240 nan 0.000 0.479 307 N N -0.427 118.414 118.700 0.234 0.000 2.467 307 N HA 0.272 4.916 4.740 -0.160 0.000 0.262 307 N C -0.880 174.804 175.510 0.290 0.000 1.234 307 N CA -0.432 52.749 53.050 0.219 0.000 0.952 307 N CB 0.532 39.121 38.487 0.170 0.000 1.158 307 N HN 0.714 nan 8.380 nan 0.000 0.463 308 C N 1.536 120.954 119.300 0.196 0.000 2.264 308 C HA 0.429 4.793 4.460 -0.160 0.000 0.324 308 C C -0.060 175.057 174.990 0.212 0.000 1.267 308 C CA -0.780 58.267 59.018 0.049 0.000 1.618 308 C CB -0.584 26.878 27.740 -0.464 0.000 2.278 308 C HN 0.664 nan 8.230 nan 0.000 0.499 309 L N 6.384 127.767 121.223 0.266 0.000 2.298 309 L HA 0.689 4.933 4.340 -0.160 0.000 0.284 309 L C -0.411 176.626 176.870 0.278 0.000 1.013 309 L CA 0.173 55.200 54.840 0.310 0.000 0.824 309 L CB 1.103 43.358 42.059 0.326 0.000 1.221 309 L HN 0.469 nan 8.230 nan 0.000 0.418 310 V N 6.956 126.983 119.914 0.189 0.000 2.607 310 V HA 0.386 4.410 4.120 -0.160 0.000 0.289 310 V C -1.932 174.046 176.094 -0.193 0.000 1.053 310 V CA -1.610 60.743 62.300 0.089 0.000 0.996 310 V CB 1.056 32.972 31.823 0.156 0.000 0.995 310 V HN 0.741 nan 8.190 nan 0.000 0.476 311 P HA 0.070 nan 4.420 nan 0.000 0.256 311 P C -2.468 174.525 177.300 -0.512 0.000 1.173 311 P CA -0.356 62.307 63.100 -0.729 0.000 0.768 311 P CB -0.232 31.242 31.700 -0.376 0.000 0.758 312 P HA 0.097 nan 4.420 nan 0.000 0.270 312 P C -0.348 176.638 177.300 -0.522 0.000 1.223 312 P CA 0.105 62.903 63.100 -0.503 0.000 0.785 312 P CB 0.641 32.021 31.700 -0.534 0.000 0.923 313 K N 1.428 121.363 120.400 -0.775 0.000 2.110 313 K HA 0.153 4.377 4.320 -0.160 0.000 0.263 313 K C 0.644 176.925 176.600 -0.532 0.000 0.975 313 K CA -0.523 55.473 56.287 -0.485 0.000 0.895 313 K CB 0.657 32.986 32.500 -0.284 0.000 1.060 313 K HN 0.330 nan 8.250 nan 0.000 0.448 314 D N 0.719 120.958 120.400 -0.269 0.000 2.190 314 D HA -0.179 4.365 4.640 -0.160 0.000 0.200 314 D C 1.711 177.913 176.300 -0.164 0.000 0.992 314 D CA 1.633 55.520 54.000 -0.188 0.000 0.854 314 D CB -0.145 40.597 40.800 -0.096 0.000 0.936 314 D HN 0.584 nan 8.370 nan 0.000 0.462 315 S N 0.064 115.682 115.700 -0.137 0.000 2.419 315 S HA -0.221 4.153 4.470 -0.160 0.000 0.235 315 S C 1.637 176.264 174.600 0.046 0.000 1.019 315 S CA 1.209 59.396 58.200 -0.021 0.000 0.982 315 S CB -0.597 62.635 63.200 0.054 0.000 0.789 315 S HN 0.591 nan 8.310 nan 0.000 0.490 316 Y N -1.091 119.209 120.300 0.000 0.000 2.672 316 Y HA 0.555 5.008 4.550 -0.162 0.000 0.252 316 Y C 1.303 177.190 175.900 -0.021 0.000 1.132 316 Y CA -1.091 57.008 58.100 -0.001 0.000 1.228 316 Y CB -0.101 38.369 38.460 0.018 0.000 1.310 316 Y HN 0.065 nan 8.280 nan 0.000 0.549 317 K N 1.268 121.500 120.400 -0.279 0.000 2.152 317 K HA -0.233 3.991 4.320 -0.160 0.000 0.206 317 K C 1.180 177.744 176.600 -0.061 0.000 1.048 317 K CA 2.112 58.281 56.287 -0.197 0.000 0.933 317 K CB -0.186 32.191 32.500 -0.206 0.000 0.721 317 K HN 0.371 nan 8.250 nan 0.000 0.447 318 D N 0.523 120.913 120.400 -0.018 0.000 2.312 318 D HA -0.111 4.433 4.640 -0.160 0.000 0.211 318 D C 0.842 177.194 176.300 0.087 0.000 0.964 318 D CA 0.769 54.779 54.000 0.017 0.000 0.877 318 D CB 0.214 41.043 40.800 0.048 0.000 0.924 318 D HN 0.365 nan 8.370 nan 0.000 0.515 319 R N -0.532 120.022 120.500 0.090 0.000 2.700 319 R HA 0.309 4.553 4.340 -0.160 0.000 0.377 319 R C -0.884 175.409 176.300 -0.011 0.000 1.130 319 R CA -0.362 55.773 56.100 0.059 0.000 1.055 319 R CB 0.353 30.604 30.300 -0.081 0.000 1.387 319 R HN -0.103 nan 8.270 nan 0.000 0.580 320 V N 2.183 122.047 119.914 -0.084 0.000 2.357 320 V HA 0.350 4.374 4.120 -0.160 0.000 0.284 320 V C -1.095 174.914 176.094 -0.142 0.000 1.018 320 V CA -0.674 61.597 62.300 -0.048 0.000 0.841 320 V CB 0.710 32.556 31.823 0.039 0.000 0.991 320 V HN 0.199 nan 8.190 nan 0.000 0.437 321 Y N 2.667 122.972 120.300 0.007 0.000 2.352 321 Y HA 0.612 5.064 4.550 -0.163 0.000 0.339 321 Y C 0.837 176.770 175.900 0.056 0.000 0.992 321 Y CA -0.659 57.470 58.100 0.048 0.000 1.100 321 Y CB 2.093 40.573 38.460 0.033 0.000 1.192 321 Y HN 0.699 nan 8.280 nan 0.000 0.458 322 T N -1.017 113.686 114.554 0.248 0.000 2.950 322 T HA 0.813 5.067 4.350 -0.160 0.000 0.288 322 T C -0.344 174.454 174.700 0.164 0.000 1.035 322 T CA -0.647 61.604 62.100 0.251 0.000 1.028 322 T CB 2.129 71.207 68.868 0.349 0.000 1.109 322 T HN 0.636 nan 8.240 nan 0.000 0.514 323 T N -0.975 113.655 114.554 0.126 0.000 2.769 323 T HA 0.626 4.880 4.350 -0.160 0.000 0.306 323 T C 0.521 175.294 174.700 0.122 0.000 1.400 323 T CA 0.969 63.016 62.100 -0.088 0.000 1.007 323 T CB 0.801 69.668 68.868 -0.002 0.000 1.392 323 T HN 2.013 nan 8.240 nan 0.000 0.500 324 G N 1.638 110.491 108.800 0.088 0.000 2.566 324 G HA2 -0.246 3.618 3.960 -0.160 0.000 0.280 324 G HA3 -0.246 3.618 3.960 -0.160 0.000 0.280 324 G C 0.715 175.689 174.900 0.123 0.000 1.225 324 G CA 0.921 46.074 45.100 0.088 0.000 0.966 324 G HN 1.675 nan 8.290 nan 0.000 0.560 325 I N -0.498 120.026 120.570 -0.077 0.000 3.564 325 I HA 0.403 4.477 4.170 -0.160 0.000 0.294 325 I C 1.312 177.365 176.117 -0.107 0.000 1.289 325 I CA -0.108 61.114 61.300 -0.131 0.000 1.325 325 I CB -0.769 37.064 38.000 -0.279 0.000 1.039 325 I HN 0.378 nan 8.210 nan 0.000 0.474 326 V N 2.136 122.034 119.914 -0.027 0.000 2.963 326 V HA 0.630 4.654 4.120 -0.160 0.000 0.306 326 V C 0.863 177.031 176.094 0.123 0.000 1.077 326 V CA 0.403 62.738 62.300 0.057 0.000 1.124 326 V CB 0.447 32.343 31.823 0.122 0.000 0.987 326 V HN 0.614 nan 8.190 nan 0.000 0.487 327 G N 2.758 111.661 108.800 0.172 0.000 2.691 327 G HA2 0.549 4.413 3.960 -0.160 0.000 0.298 327 G HA3 0.549 4.413 3.960 -0.160 0.000 0.298 327 G C -1.914 173.185 174.900 0.331 0.000 1.471 327 G CA -0.485 44.716 45.100 0.167 0.000 0.912 327 G HN 0.518 nan 8.290 nan 0.000 0.553 328 F N 1.651 121.676 119.950 0.125 0.000 2.689 328 F HA 0.491 4.919 4.527 -0.165 0.000 0.332 328 F C 0.459 176.290 175.800 0.051 0.000 1.209 328 F CA -0.389 57.681 58.000 0.117 0.000 1.028 328 F CB 2.034 41.077 39.000 0.072 0.000 1.291 328 F HN 0.506 nan 8.300 nan 0.000 0.500 329 T N 4.443 118.820 114.554 -0.294 0.000 2.800 329 T HA 0.370 4.624 4.350 -0.160 0.000 0.283 329 T C 0.964 175.669 174.700 0.009 0.000 0.999 329 T CA 1.833 63.840 62.100 -0.154 0.000 1.176 329 T CB 0.079 68.805 68.868 -0.236 0.000 0.973 329 T HN 1.238 nan 8.240 nan 0.000 0.519 330 G N 2.045 110.875 108.800 0.049 0.000 2.194 330 G HA2 -0.231 3.633 3.960 -0.160 0.000 0.236 330 G HA3 -0.231 3.633 3.960 -0.160 0.000 0.236 330 G C 0.338 175.288 174.900 0.083 0.000 0.987 330 G CA -0.218 44.924 45.100 0.071 0.000 0.635 330 G HN 0.823 nan 8.290 nan 0.000 0.520 331 C N 2.284 121.661 119.300 0.128 0.000 2.303 331 C HA 0.572 4.936 4.460 -0.160 0.000 0.326 331 C C 0.887 175.914 174.990 0.062 0.000 1.285 331 C CA -1.067 58.000 59.018 0.081 0.000 1.675 331 C CB 0.744 28.578 27.740 0.155 0.000 2.289 331 C HN 0.441 nan 8.230 nan 0.000 0.512 332 K N 2.185 122.557 120.400 -0.045 0.000 2.511 332 K HA 0.020 4.244 4.320 -0.160 0.000 0.280 332 K C -0.230 176.471 176.600 0.169 0.000 1.008 332 K CA 0.719 57.015 56.287 0.015 0.000 1.050 332 K CB 0.135 32.556 32.500 -0.132 0.000 0.889 332 K HN 0.706 nan 8.250 nan 0.000 0.484 333 H N 3.171 122.307 119.070 0.110 0.000 2.481 333 H HA 0.240 4.698 4.556 -0.164 0.000 0.333 333 H C -0.724 174.688 175.328 0.139 0.000 1.066 333 H CA -0.784 55.341 56.048 0.128 0.000 1.209 333 H CB 0.572 30.384 29.762 0.084 0.000 1.445 333 H HN 0.333 nan 8.280 nan 0.000 0.488 334 I N 8.155 128.544 120.570 -0.302 0.000 2.312 334 I HA 0.196 4.270 4.170 -0.160 0.000 0.291 334 I C -2.263 173.595 176.117 -0.432 0.000 1.031 334 I CA -2.578 58.596 61.300 -0.210 0.000 1.293 334 I CB 0.843 38.824 38.000 -0.032 0.000 1.403 334 I HN 0.547 nan 8.210 nan 0.000 0.484 335 P HA 0.271 nan 4.420 nan 0.000 0.268 335 P C 0.022 177.271 177.300 -0.084 0.000 1.204 335 P CA 0.231 63.276 63.100 -0.091 0.000 0.768 335 P CB 1.147 32.852 31.700 0.008 0.000 0.842 336 G N 2.583 111.373 108.800 -0.017 0.000 2.414 336 G HA2 0.112 3.976 3.960 -0.160 0.000 0.213 336 G HA3 0.112 3.976 3.960 -0.160 0.000 0.213 336 G C -0.216 174.701 174.900 0.028 0.000 1.444 336 G CA -0.381 44.715 45.100 -0.008 0.000 1.076 336 G HN 0.627 nan 8.290 nan 0.000 0.638 337 E N 1.455 121.679 120.200 0.040 0.000 2.660 337 E HA 0.306 4.560 4.350 -0.160 0.000 0.216 337 E C 1.051 177.682 176.600 0.051 0.000 0.986 337 E CA 0.051 56.478 56.400 0.045 0.000 1.037 337 E CB 0.143 29.864 29.700 0.034 0.000 1.041 337 E HN 0.977 nan 8.360 nan 0.000 0.480 338 I N -3.343 117.260 120.570 0.055 0.000 3.171 338 I HA 0.589 4.663 4.170 -0.160 0.000 0.329 338 I C 0.810 176.980 176.117 0.088 0.000 1.522 338 I CA -0.260 61.082 61.300 0.070 0.000 0.948 338 I CB 0.818 38.848 38.000 0.050 0.000 1.527 338 I HN 0.095 nan 8.210 nan 0.000 0.547 339 G N 1.673 110.531 108.800 0.098 0.000 2.186 339 G HA2 -0.322 3.542 3.960 -0.160 0.000 0.266 339 G HA3 -0.322 3.542 3.960 -0.160 0.000 0.266 339 G C 0.280 175.229 174.900 0.081 0.000 0.982 339 G CA 0.904 46.068 45.100 0.106 0.000 0.670 339 G HN 0.866 nan 8.290 nan 0.000 0.533 340 E N 0.086 120.321 120.200 0.059 0.000 2.428 340 E HA 0.204 4.458 4.350 -0.160 0.000 0.257 340 E C 0.316 176.938 176.600 0.036 0.000 1.197 340 E CA -0.443 55.991 56.400 0.057 0.000 0.974 340 E CB 0.511 30.236 29.700 0.041 0.000 0.976 340 E HN 0.501 nan 8.360 nan 0.000 0.463 341 H N 0.610 119.665 119.070 -0.026 0.000 3.034 341 H HA 0.102 4.563 4.556 -0.159 0.000 0.324 341 H C -0.756 174.485 175.328 -0.146 0.000 1.015 341 H CA 0.639 56.648 56.048 -0.065 0.000 1.429 341 H CB 0.424 30.154 29.762 -0.053 0.000 1.429 341 H HN 0.264 nan 8.280 nan 0.000 0.585 342 K N 3.916 123.797 120.400 -0.865 0.000 2.270 342 K HA 0.146 4.370 4.320 -0.160 0.000 0.255 342 K C -0.997 174.904 176.600 -1.166 0.000 0.936 342 K CA -0.988 54.760 56.287 -0.898 0.000 0.809 342 K CB 1.494 33.410 32.500 -0.974 0.000 1.131 342 K HN 0.643 nan 8.250 nan 0.000 0.427 343 D N 2.666 122.619 120.400 -0.745 0.000 2.456 343 D HA 0.124 4.668 4.640 -0.160 0.000 0.219 343 D C -0.612 175.424 176.300 -0.439 0.000 1.126 343 D CA -0.312 53.415 54.000 -0.455 0.000 0.890 343 D CB 0.069 40.772 40.800 -0.163 0.000 1.025 343 D HN 0.385 nan 8.370 nan 0.000 0.511 344 F N 1.697 121.566 119.950 -0.134 0.000 2.660 344 F HA 0.078 4.508 4.527 -0.162 0.000 0.297 344 F C 2.189 177.914 175.800 -0.125 0.000 1.132 344 F CA -0.441 57.465 58.000 -0.156 0.000 1.372 344 F CB 0.218 39.115 39.000 -0.171 0.000 1.003 344 F HN 0.343 nan 8.300 nan 0.000 0.524 345 S N -0.233 115.492 115.700 0.042 0.000 2.453 345 S HA -0.091 4.283 4.470 -0.160 0.000 0.231 345 S C 2.137 176.750 174.600 0.022 0.000 1.005 345 S CA 0.691 58.911 58.200 0.033 0.000 0.949 345 S CB -0.199 63.017 63.200 0.027 0.000 0.774 345 S HN 0.316 nan 8.310 nan 0.000 0.510 346 A N 1.858 124.685 122.820 0.012 0.000 1.898 346 A HA 0.277 4.501 4.320 -0.160 0.000 0.214 346 A C 2.112 179.694 177.584 -0.003 0.000 1.183 346 A CA 0.987 53.044 52.037 0.033 0.000 0.622 346 A CB -0.674 18.374 19.000 0.079 0.000 0.824 346 A HN 0.564 nan 8.150 nan 0.000 0.444 347 I N -0.625 119.818 120.570 -0.211 0.000 2.546 347 I HA -0.124 3.950 4.170 -0.160 0.000 0.255 347 I C 1.832 177.871 176.117 -0.130 0.000 1.163 347 I CA 1.015 62.057 61.300 -0.430 0.000 1.457 347 I CB -0.017 37.490 38.000 -0.822 0.000 1.092 347 I HN 0.316 nan 8.210 nan 0.000 0.434 348 I N 0.560 121.096 120.570 -0.056 0.000 2.500 348 I HA -0.134 3.939 4.170 -0.160 0.000 0.252 348 I C 2.625 178.759 176.117 0.028 0.000 1.142 348 I CA 0.921 62.213 61.300 -0.013 0.000 1.451 348 I CB -0.402 37.600 38.000 0.003 0.000 1.093 348 I HN 0.222 nan 8.210 nan 0.000 0.430 349 A N -0.055 122.796 122.820 0.051 0.000 1.897 349 A HA -0.246 3.978 4.320 -0.160 0.000 0.215 349 A C 2.213 179.875 177.584 0.130 0.000 1.181 349 A CA 1.406 53.485 52.037 0.069 0.000 0.620 349 A CB -1.036 17.999 19.000 0.058 0.000 0.821 349 A HN 0.477 nan 8.150 nan 0.000 0.443 350 H N -0.513 118.580 119.070 0.038 0.000 2.387 350 H HA -0.090 4.370 4.556 -0.160 0.000 0.299 350 H C 2.216 177.575 175.328 0.052 0.000 1.099 350 H CA 0.960 57.053 56.048 0.075 0.000 1.315 350 H CB 0.060 29.922 29.762 0.166 0.000 1.380 350 H HN 0.483 nan 8.280 nan 0.000 0.513 351 A N 0.961 123.838 122.820 0.095 0.000 1.969 351 A HA -0.129 4.094 4.320 -0.160 0.000 0.218 351 A C 2.201 179.797 177.584 0.020 0.000 1.169 351 A CA 1.287 53.326 52.037 0.003 0.000 0.635 351 A CB -0.239 18.757 19.000 -0.007 0.000 0.810 351 A HN 0.403 nan 8.150 nan 0.000 0.445 352 K N -0.305 120.121 120.400 0.043 0.000 2.280 352 K HA -0.096 4.128 4.320 -0.160 0.000 0.202 352 K C 1.550 178.169 176.600 0.032 0.000 1.047 352 K CA 1.551 57.855 56.287 0.029 0.000 0.942 352 K CB -0.245 32.273 32.500 0.030 0.000 0.739 352 K HN 0.696 nan 8.250 nan 0.000 0.457 353 T N -2.255 112.337 114.554 0.063 0.000 3.163 353 T HA 0.160 4.414 4.350 -0.160 0.000 0.252 353 T C 0.459 175.188 174.700 0.048 0.000 1.056 353 T CA -0.561 61.578 62.100 0.065 0.000 0.947 353 T CB -0.459 68.472 68.868 0.105 0.000 1.016 353 T HN -0.026 nan 8.240 nan 0.000 0.554 354 C N 2.131 121.436 119.300 0.009 0.000 2.454 354 C HA 0.696 5.060 4.460 -0.160 0.000 0.336 354 C C -2.250 172.696 174.990 -0.075 0.000 1.189 354 C CA -1.630 57.366 59.018 -0.037 0.000 1.877 354 C CB 1.484 29.174 27.740 -0.083 0.000 2.348 354 C HN 0.358 nan 8.230 nan 0.000 0.508 355 P HA 0.314 nan 4.420 nan 0.000 0.272 355 P C -0.386 176.802 177.300 -0.188 0.000 1.223 355 P CA 0.067 63.100 63.100 -0.112 0.000 0.784 355 P CB 0.398 32.038 31.700 -0.100 0.000 0.923 356 A N 3.930 126.646 122.820 -0.174 0.000 2.409 356 A HA 0.313 4.537 4.320 -0.160 0.000 0.246 356 A C -2.086 175.268 177.584 -0.383 0.000 1.099 356 A CA -0.802 51.091 52.037 -0.240 0.000 0.789 356 A CB -1.539 17.375 19.000 -0.143 0.000 1.053 356 A HN 0.421 nan 8.150 nan 0.000 0.503 357 P HA 0.188 nan 4.420 nan 0.000 0.271 357 P C -0.538 176.551 177.300 -0.352 0.000 1.216 357 P CA 0.271 62.916 63.100 -0.758 0.000 0.776 357 P CB 0.456 31.459 31.700 -1.161 0.000 0.881 358 T N 2.600 117.013 114.554 -0.235 0.000 2.747 358 T HA 0.119 4.373 4.350 -0.160 0.000 0.301 358 T C 0.193 174.941 174.700 0.080 0.000 0.952 358 T CA -0.315 61.751 62.100 -0.058 0.000 0.983 358 T CB -0.279 68.572 68.868 -0.028 0.000 0.930 358 T HN 0.410 nan 8.240 nan 0.000 0.494 359 E N 2.931 123.167 120.200 0.061 0.000 2.481 359 E HA 0.038 4.292 4.350 -0.160 0.000 0.263 359 E C 0.837 177.465 176.600 0.047 0.000 0.992 359 E CA 0.181 56.641 56.400 0.100 0.000 0.938 359 E CB 0.327 30.058 29.700 0.051 0.000 0.933 359 E HN 0.747 nan 8.360 nan 0.000 0.453 360 I N -0.599 119.962 120.570 -0.015 0.000 4.655 360 I HA 0.370 4.444 4.170 -0.160 0.000 0.333 360 I C -0.374 175.687 176.117 -0.093 0.000 1.312 360 I CA -0.450 60.798 61.300 -0.087 0.000 1.270 360 I CB 0.367 38.253 38.000 -0.191 0.000 1.318 360 I HN 0.291 nan 8.210 nan 0.000 0.456 361 E N 1.377 121.534 120.200 -0.072 0.000 2.407 361 E HA 0.545 4.798 4.350 -0.160 0.000 0.279 361 E C -1.178 175.414 176.600 -0.014 0.000 1.012 361 E CA -0.676 55.694 56.400 -0.051 0.000 0.800 361 E CB 2.264 31.920 29.700 -0.072 0.000 1.276 361 E HN 0.276 nan 8.360 nan 0.000 0.452 362 S N -0.061 115.636 115.700 -0.005 0.000 2.704 362 S HA 0.976 5.349 4.470 -0.160 0.000 0.296 362 S C 0.402 175.006 174.600 0.007 0.000 1.138 362 S CA -0.072 58.135 58.200 0.010 0.000 0.875 362 S CB 1.974 65.181 63.200 0.012 0.000 1.151 362 S HN 1.206 nan 8.310 nan 0.000 0.500 363 G N 0.196 109.002 108.800 0.011 0.000 2.472 363 G HA2 0.263 4.126 3.960 -0.160 0.000 0.205 363 G HA3 0.263 4.126 3.960 -0.160 0.000 0.205 363 G C -0.940 173.964 174.900 0.006 0.000 1.270 363 G CA -0.024 45.081 45.100 0.008 0.000 0.974 363 G HN 1.630 nan 8.290 nan 0.000 0.542 364 E N -1.408 118.795 120.200 0.005 0.000 2.423 364 E HA 0.662 4.916 4.350 -0.160 0.000 0.280 364 E C -0.565 176.041 176.600 0.011 0.000 1.030 364 E CA -0.863 55.537 56.400 0.001 0.000 0.812 364 E CB 2.019 31.719 29.700 -0.001 0.000 1.313 364 E HN 1.621 nan 8.360 nan 0.000 0.456 365 I N -1.185 119.395 120.570 0.016 0.000 2.785 365 I HA 0.611 4.685 4.170 -0.160 0.000 0.302 365 I C -0.690 175.464 176.117 0.061 0.000 1.069 365 I CA -1.467 59.855 61.300 0.037 0.000 1.045 365 I CB 1.732 39.753 38.000 0.035 0.000 1.236 365 I HN 0.502 nan 8.210 nan 0.000 0.429 366 I N 3.016 123.628 120.570 0.071 0.000 2.488 366 I HA 0.813 4.887 4.170 -0.160 0.000 0.299 366 I C 0.605 176.764 176.117 0.070 0.000 0.984 366 I CA -0.259 61.086 61.300 0.075 0.000 1.250 366 I CB 1.700 39.772 38.000 0.120 0.000 1.389 366 I HN 0.941 nan 8.210 nan 0.000 0.488 367 G N 1.578 110.298 108.800 -0.133 0.000 2.548 367 G HA2 0.516 4.380 3.960 -0.160 0.000 0.301 367 G HA3 0.516 4.380 3.960 -0.160 0.000 0.301 367 G C -0.199 174.034 174.900 -1.111 0.000 1.349 367 G CA -0.077 44.708 45.100 -0.524 0.000 0.792 367 G HN 1.017 nan 8.290 nan 0.000 0.481 368 G N -1.683 106.306 108.800 -1.351 0.000 2.167 368 G HA2 -0.096 3.768 3.960 -0.160 0.000 0.194 368 G HA3 -0.096 3.768 3.960 -0.160 0.000 0.194 368 G C -0.045 174.554 174.900 -0.502 0.000 1.027 368 G CA 0.210 44.821 45.100 -0.814 0.000 0.717 368 G HN 0.949 nan 8.290 nan 0.000 0.501 369 F N 1.670 121.509 119.950 -0.185 0.000 2.753 369 F HA 0.655 5.084 4.527 -0.164 0.000 0.314 369 F C 1.295 177.077 175.800 -0.029 0.000 1.215 369 F CA -0.032 57.918 58.000 -0.084 0.000 1.243 369 F CB 0.275 39.248 39.000 -0.045 0.000 1.400 369 F HN 0.438 nan 8.300 nan 0.000 0.548 370 A N -0.273 122.567 122.820 0.033 0.000 2.251 370 A HA 0.224 4.447 4.320 -0.160 0.000 0.278 370 A C 1.524 179.109 177.584 0.002 0.000 1.206 370 A CA 0.121 52.182 52.037 0.040 0.000 0.822 370 A CB 0.031 19.010 19.000 -0.034 0.000 1.187 370 A HN 0.736 nan 8.150 nan 0.000 0.504 371 H N -0.498 118.598 119.070 0.043 0.000 2.353 371 H HA -0.175 4.282 4.556 -0.164 0.000 0.298 371 H C 1.601 176.890 175.328 -0.065 0.000 1.103 371 H CA 1.991 58.033 56.048 -0.010 0.000 1.293 371 H CB -0.192 29.560 29.762 -0.017 0.000 1.372 371 H HN 0.644 nan 8.280 nan 0.000 0.501 372 N N 0.184 118.606 118.700 -0.463 0.000 2.166 372 N HA -0.210 4.434 4.740 -0.160 0.000 0.186 372 N C 2.006 177.376 175.510 -0.233 0.000 1.019 372 N CA 1.604 54.410 53.050 -0.406 0.000 0.856 372 N CB -0.060 37.867 38.487 -0.932 0.000 0.993 372 N HN 0.568 nan 8.380 nan 0.000 0.426 373 Q N 0.504 120.184 119.800 -0.200 0.000 2.083 373 Q HA 0.041 4.285 4.340 -0.160 0.000 0.198 373 Q C 1.974 177.943 176.000 -0.053 0.000 0.969 373 Q CA 1.241 56.952 55.803 -0.152 0.000 0.838 373 Q CB -0.277 28.320 28.738 -0.235 0.000 0.900 373 Q HN 0.135 nan 8.270 nan 0.000 0.436 374 V N 0.330 120.258 119.914 0.024 0.000 2.453 374 V HA -0.166 3.858 4.120 -0.160 0.000 0.247 374 V C 1.992 178.111 176.094 0.042 0.000 1.048 374 V CA 1.026 63.386 62.300 0.099 0.000 1.049 374 V CB -0.479 31.423 31.823 0.132 0.000 0.672 374 V HN 0.297 nan 8.190 nan 0.000 0.457 375 L N 0.638 121.868 121.223 0.012 0.000 2.187 375 L HA -0.097 4.147 4.340 -0.160 0.000 0.213 375 L C 2.497 179.358 176.870 -0.016 0.000 1.100 375 L CA 2.093 56.929 54.840 -0.005 0.000 0.765 375 L CB -1.290 40.767 42.059 -0.004 0.000 0.904 375 L HN 0.322 nan 8.230 nan 0.000 0.437 376 A N -1.472 121.334 122.820 -0.024 0.000 2.119 376 A HA 0.006 4.230 4.320 -0.160 0.000 0.217 376 A C 1.976 179.557 177.584 -0.004 0.000 1.153 376 A CA 0.882 52.904 52.037 -0.025 0.000 0.692 376 A CB -0.385 18.588 19.000 -0.045 0.000 0.799 376 A HN 0.404 nan 8.150 nan 0.000 0.458 377 L N -1.299 119.935 121.223 0.019 0.000 2.728 377 L HA 0.232 4.476 4.340 -0.160 0.000 0.238 377 L C 2.393 179.287 176.870 0.040 0.000 1.143 377 L CA 0.276 55.142 54.840 0.043 0.000 0.937 377 L CB -0.122 41.992 42.059 0.092 0.000 1.225 377 L HN 0.335 nan 8.230 nan 0.000 0.507 378 A N 1.075 123.904 122.820 0.016 0.000 1.870 378 A HA -0.302 3.922 4.320 -0.160 0.000 0.219 378 A C 1.852 179.431 177.584 -0.008 0.000 1.224 378 A CA 2.518 54.553 52.037 -0.003 0.000 0.650 378 A CB -0.590 18.389 19.000 -0.034 0.000 0.836 378 A HN 0.383 nan 8.150 nan 0.000 0.454 379 D N -0.452 119.937 120.400 -0.019 0.000 2.172 379 D HA -0.165 4.379 4.640 -0.160 0.000 0.196 379 D C 1.898 178.204 176.300 0.010 0.000 0.999 379 D CA 1.746 55.734 54.000 -0.020 0.000 0.856 379 D CB -0.308 40.481 40.800 -0.018 0.000 0.934 379 D HN 0.603 nan 8.370 nan 0.000 0.453 380 K N 0.048 120.463 120.400 0.027 0.000 2.057 380 K HA -0.023 4.201 4.320 -0.160 0.000 0.206 380 K C 2.129 178.770 176.600 0.069 0.000 1.050 380 K CA 0.455 56.768 56.287 0.043 0.000 0.935 380 K CB 0.038 32.566 32.500 0.045 0.000 0.715 380 K HN -0.003 nan 8.250 nan 0.000 0.439 381 V N 1.502 121.470 119.914 0.090 0.000 2.548 381 V HA -0.180 3.844 4.120 -0.160 0.000 0.249 381 V C 2.000 178.207 176.094 0.189 0.000 1.055 381 V CA 1.407 63.800 62.300 0.155 0.000 1.065 381 V CB -0.349 31.587 31.823 0.188 0.000 0.681 381 V HN 0.266 nan 8.190 nan 0.000 0.462 382 I N -0.022 120.619 120.570 0.117 0.000 2.353 382 I HA -0.149 3.925 4.170 -0.160 0.000 0.248 382 I C 2.113 178.323 176.117 0.156 0.000 1.119 382 I CA 1.219 62.593 61.300 0.123 0.000 1.417 382 I CB -0.405 37.538 38.000 -0.096 0.000 1.078 382 I HN 0.277 nan 8.210 nan 0.000 0.421 383 D N 1.260 121.714 120.400 0.091 0.000 2.219 383 D HA -0.103 4.441 4.640 -0.160 0.000 0.205 383 D C 2.215 178.567 176.300 0.086 0.000 0.970 383 D CA 1.304 55.352 54.000 0.080 0.000 0.851 383 D CB -0.028 40.800 40.800 0.048 0.000 0.943 383 D HN 0.342 nan 8.370 nan 0.000 0.488 384 A N 0.524 123.399 122.820 0.091 0.000 1.929 384 A HA -0.074 4.150 4.320 -0.160 0.000 0.216 384 A C 2.488 180.114 177.584 0.070 0.000 1.176 384 A CA 0.792 52.866 52.037 0.061 0.000 0.628 384 A CB -0.525 18.502 19.000 0.045 0.000 0.816 384 A HN 0.123 nan 8.150 nan 0.000 0.444 385 V N 0.350 120.356 119.914 0.152 0.000 2.270 385 V HA -0.264 3.760 4.120 -0.160 0.000 0.245 385 V C 2.429 178.591 176.094 0.114 0.000 1.043 385 V CA 2.289 64.683 62.300 0.157 0.000 1.014 385 V CB -0.725 31.305 31.823 0.345 0.000 0.645 385 V HN 0.520 nan 8.190 nan 0.000 0.447 386 K N 0.946 121.453 120.400 0.179 0.000 2.074 386 K HA -0.201 4.023 4.320 -0.160 0.000 0.209 386 K C 2.341 178.981 176.600 0.066 0.000 1.048 386 K CA 1.970 58.336 56.287 0.132 0.000 0.926 386 K CB -0.429 32.169 32.500 0.164 0.000 0.713 386 K HN 0.637 nan 8.250 nan 0.000 0.444 387 S N -0.841 114.892 115.700 0.055 0.000 2.481 387 S HA 0.014 4.388 4.470 -0.160 0.000 0.231 387 S C 1.484 176.090 174.600 0.010 0.000 0.996 387 S CA 0.871 59.088 58.200 0.028 0.000 0.942 387 S CB 0.194 63.407 63.200 0.023 0.000 0.768 387 S HN 0.495 nan 8.310 nan 0.000 0.520 388 G N 0.310 109.113 108.800 0.005 0.000 2.176 388 G HA2 -0.158 3.706 3.960 -0.160 0.000 0.232 388 G HA3 -0.158 3.706 3.960 -0.160 0.000 0.232 388 G C 0.962 175.842 174.900 -0.033 0.000 0.986 388 G CA 0.281 45.371 45.100 -0.016 0.000 0.643 388 G HN 1.106 nan 8.290 nan 0.000 0.522 389 A N -0.298 122.505 122.820 -0.028 0.000 1.883 389 A HA 0.362 4.586 4.320 -0.160 0.000 0.217 389 A C 1.279 178.814 177.584 -0.083 0.000 1.186 389 A CA 1.526 53.536 52.037 -0.044 0.000 0.624 389 A CB -0.100 18.883 19.000 -0.028 0.000 0.822 389 A HN 0.874 nan 8.150 nan 0.000 0.444 390 I N 0.093 120.600 120.570 -0.106 0.000 2.330 390 I HA 0.171 4.245 4.170 -0.160 0.000 0.286 390 I C 0.414 176.418 176.117 -0.187 0.000 1.025 390 I CA -0.522 60.650 61.300 -0.213 0.000 1.197 390 I CB 1.603 39.388 38.000 -0.358 0.000 1.358 390 I HN 0.072 nan 8.210 nan 0.000 0.467 391 K N 3.778 124.087 120.400 -0.150 0.000 2.418 391 K HA 0.123 4.347 4.320 -0.160 0.000 0.195 391 K C 0.235 176.801 176.600 -0.058 0.000 1.035 391 K CA 0.466 56.703 56.287 -0.083 0.000 1.003 391 K CB 0.046 32.513 32.500 -0.054 0.000 0.793 391 K HN 0.373 nan 8.250 nan 0.000 0.494 392 K N -0.578 119.740 120.400 -0.137 0.000 2.610 392 K HA 0.253 4.477 4.320 -0.160 0.000 0.267 392 K C -1.919 174.585 176.600 -0.159 0.000 0.943 392 K CA -0.292 55.977 56.287 -0.029 0.000 0.862 392 K CB 0.606 33.216 32.500 0.183 0.000 1.376 392 K HN -0.208 nan 8.250 nan 0.000 0.412 393 F N 2.504 122.465 119.950 0.018 0.000 2.421 393 F HA 0.562 4.993 4.527 -0.160 0.000 0.337 393 F C -0.233 175.547 175.800 -0.034 0.000 1.105 393 F CA -0.732 57.258 58.000 -0.017 0.000 1.049 393 F CB 1.885 40.853 39.000 -0.054 0.000 1.139 393 F HN 0.054 nan 8.300 nan 0.000 0.479 394 V N 4.559 124.572 119.914 0.164 0.000 2.350 394 V HA 0.298 4.322 4.120 -0.160 0.000 0.285 394 V C -0.453 175.679 176.094 0.064 0.000 1.014 394 V CA -0.866 61.507 62.300 0.122 0.000 0.831 394 V CB 1.439 33.415 31.823 0.255 0.000 1.000 394 V HN 0.469 nan 8.190 nan 0.000 0.433 395 V N 7.112 127.001 119.914 -0.042 0.000 2.408 395 V HA 0.308 4.332 4.120 -0.160 0.000 0.267 395 V C 0.619 176.780 176.094 0.111 0.000 1.047 395 V CA 0.197 62.505 62.300 0.013 0.000 0.937 395 V CB 1.106 32.897 31.823 -0.055 0.000 0.999 395 V HN 0.910 nan 8.190 nan 0.000 0.472 396 M N 4.027 123.712 119.600 0.142 0.000 2.705 396 M HA 0.373 4.757 4.480 -0.160 0.000 0.387 396 M C 0.696 177.151 176.300 0.258 0.000 1.204 396 M CA -0.212 55.200 55.300 0.188 0.000 0.905 396 M CB 0.905 33.561 32.600 0.094 0.000 1.394 396 M HN 0.667 nan 8.290 nan 0.000 0.515 397 A N 0.884 123.846 122.820 0.236 0.000 2.364 397 A HA 0.736 4.960 4.320 -0.160 0.000 0.258 397 A C 0.839 178.555 177.584 0.222 0.000 1.131 397 A CA 0.816 52.996 52.037 0.239 0.000 0.800 397 A CB -0.189 18.945 19.000 0.223 0.000 1.086 397 A HN 0.634 nan 8.150 nan 0.000 0.508 401 G N -0.148 108.466 108.800 -0.310 0.000 2.663 401 G HA2 0.383 4.247 3.960 -0.160 0.000 0.299 401 G HA3 0.383 4.247 3.960 -0.160 0.000 0.299 401 G C 0.094 174.144 174.900 -1.416 0.000 1.372 401 G CA -0.526 44.167 45.100 -0.678 0.000 0.781 401 G HN 0.349 nan 8.290 nan 0.000 0.491 402 R N -0.125 119.718 120.500 -1.095 0.000 2.115 402 R HA 0.193 4.437 4.340 -0.160 0.000 0.226 402 R C 1.617 177.473 176.300 -0.741 0.000 1.100 402 R CA 0.792 56.236 56.100 -1.093 0.000 0.980 402 R CB -0.338 29.677 30.300 -0.475 0.000 0.875 402 R HN 0.619 nan 8.270 nan 0.000 0.445 403 A N 2.789 125.350 122.820 -0.432 0.000 2.592 403 A HA -0.150 4.074 4.320 -0.160 0.000 0.250 403 A C 1.122 178.553 177.584 -0.254 0.000 1.017 403 A CA 0.588 52.476 52.037 -0.248 0.000 0.794 403 A CB 0.008 18.925 19.000 -0.139 0.000 0.917 403 A HN 0.472 nan 8.150 nan 0.000 0.515 404 K N 1.957 122.255 120.400 -0.171 0.000 2.486 404 K HA -0.055 4.169 4.320 -0.160 0.000 0.194 404 K C 1.269 177.846 176.600 -0.040 0.000 1.033 404 K CA 1.333 57.551 56.287 -0.115 0.000 1.004 404 K CB -0.037 32.421 32.500 -0.071 0.000 0.798 404 K HN 0.680 nan 8.250 nan 0.000 0.495 405 S N 0.582 116.264 115.700 -0.030 0.000 2.522 405 S HA 0.026 4.400 4.470 -0.160 0.000 0.227 405 S C 1.559 176.198 174.600 0.066 0.000 0.986 405 S CA -0.134 58.073 58.200 0.012 0.000 0.929 405 S CB -0.112 63.084 63.200 -0.007 0.000 0.769 405 S HN 0.369 nan 8.310 nan 0.000 0.529 406 R N 1.812 122.359 120.500 0.080 0.000 2.339 406 R HA 0.083 4.327 4.340 -0.160 0.000 0.199 406 R C 2.046 178.514 176.300 0.279 0.000 1.018 406 R CA 0.768 57.017 56.100 0.248 0.000 1.036 406 R CB -0.338 30.064 30.300 0.170 0.000 0.899 406 R HN 0.708 nan 8.270 nan 0.000 0.473 407 S N -0.443 115.357 115.700 0.167 0.000 2.474 407 S HA -0.202 4.172 4.470 -0.160 0.000 0.235 407 S C 1.728 176.428 174.600 0.167 0.000 0.997 407 S CA 0.440 58.733 58.200 0.156 0.000 0.949 407 S CB -0.388 62.869 63.200 0.095 0.000 0.766 407 S HN 0.526 nan 8.310 nan 0.000 0.517 408 Y N 1.956 122.256 120.300 0.001 0.000 2.114 408 Y HA -0.288 4.165 4.550 -0.162 0.000 0.282 408 Y C 1.938 177.808 175.900 -0.050 0.000 1.165 408 Y CA 1.810 59.850 58.100 -0.101 0.000 1.148 408 Y CB -0.738 37.541 38.460 -0.302 0.000 0.972 408 Y HN 0.248 nan 8.280 nan 0.000 0.504 409 Y N -0.216 120.308 120.300 0.374 0.000 2.333 409 Y HA -0.209 4.252 4.550 -0.149 0.000 0.290 409 Y C 2.574 178.641 175.900 0.279 0.000 1.144 409 Y CA 1.665 59.962 58.100 0.329 0.000 1.228 409 Y CB -0.678 38.042 38.460 0.433 0.000 0.985 409 Y HN 0.113 nan 8.280 nan 0.000 0.542 410 T N -0.777 113.990 114.554 0.355 0.000 2.896 410 T HA -0.121 4.133 4.350 -0.160 0.000 0.263 410 T C 1.179 175.960 174.700 0.136 0.000 1.050 410 T CA 1.425 63.691 62.100 0.277 0.000 1.140 410 T CB -0.195 68.802 68.868 0.216 0.000 0.877 410 T HN 0.323 nan 8.240 nan 0.000 0.457 411 D N 0.497 120.924 120.400 0.045 0.000 2.162 411 D HA 0.035 4.579 4.640 -0.160 0.000 0.203 411 D C 1.705 177.935 176.300 -0.117 0.000 0.967 411 D CA 0.475 54.446 54.000 -0.049 0.000 0.840 411 D CB -0.395 40.354 40.800 -0.084 0.000 0.972 411 D HN 0.279 nan 8.370 nan 0.000 0.482 412 F N 2.250 122.010 119.950 -0.316 0.000 2.026 412 F HA -0.221 4.212 4.527 -0.157 0.000 0.296 412 F C 2.371 178.078 175.800 -0.155 0.000 1.133 412 F CA 1.897 59.700 58.000 -0.328 0.000 1.188 412 F CB -0.375 38.367 39.000 -0.430 0.000 0.968 412 F HN -0.052 nan 8.300 nan 0.000 0.476 413 A N -0.351 122.531 122.820 0.103 0.000 1.917 413 A HA -0.295 3.929 4.320 -0.160 0.000 0.219 413 A C 2.035 179.575 177.584 -0.074 0.000 1.182 413 A CA 2.057 54.090 52.037 -0.008 0.000 0.633 413 A CB -1.051 17.935 19.000 -0.024 0.000 0.819 413 A HN 0.523 nan 8.150 nan 0.000 0.448 414 E N -0.133 120.040 120.200 -0.045 0.000 2.153 414 E HA -0.046 4.208 4.350 -0.160 0.000 0.194 414 E C 1.800 178.319 176.600 -0.134 0.000 0.988 414 E CA 1.491 57.854 56.400 -0.062 0.000 0.811 414 E CB -0.618 29.064 29.700 -0.030 0.000 0.746 414 E HN 0.421 nan 8.360 nan 0.000 0.466 415 G N -0.212 108.458 108.800 -0.216 0.000 2.777 415 G HA2 0.076 3.940 3.960 -0.160 0.000 0.211 415 G HA3 0.076 3.940 3.960 -0.160 0.000 0.211 415 G C 0.347 175.039 174.900 -0.346 0.000 1.149 415 G CA -0.316 44.620 45.100 -0.272 0.000 0.785 415 G HN 0.157 nan 8.290 nan 0.000 0.536 416 L N 1.461 122.451 121.223 -0.389 0.000 2.514 416 L HA 0.151 4.395 4.340 -0.160 0.000 0.280 416 L C -1.744 174.949 176.870 -0.294 0.000 1.223 416 L CA -1.387 53.212 54.840 -0.401 0.000 0.864 416 L CB 0.368 42.250 42.059 -0.295 0.000 1.118 416 L HN -0.012 nan 8.230 nan 0.000 0.494 417 P HA 0.010 nan 4.420 nan 0.000 0.268 417 P C -0.127 177.068 177.300 -0.177 0.000 1.208 417 P CA -0.130 62.830 63.100 -0.232 0.000 0.777 417 P CB 0.464 32.014 31.700 -0.249 0.000 0.875 418 K N 0.957 121.274 120.400 -0.138 0.000 2.555 418 K HA -0.074 4.150 4.320 -0.160 0.000 0.193 418 K C 0.173 176.707 176.600 -0.110 0.000 1.032 418 K CA 0.829 57.049 56.287 -0.112 0.000 1.004 418 K CB -0.264 32.183 32.500 -0.090 0.000 0.804 418 K HN 0.553 nan 8.250 nan 0.000 0.496 419 D N -0.297 120.030 120.400 -0.122 0.000 2.427 419 D HA -0.034 4.510 4.640 -0.160 0.000 0.224 419 D C 0.077 176.290 176.300 -0.145 0.000 1.157 419 D CA -0.263 53.665 54.000 -0.120 0.000 0.828 419 D CB 0.154 40.892 40.800 -0.103 0.000 0.974 419 D HN -0.073 nan 8.370 nan 0.000 0.498 420 T N -3.049 111.417 114.554 -0.147 0.000 2.930 420 T HA 0.713 4.967 4.350 -0.160 0.000 0.290 420 T C -0.358 174.243 174.700 -0.166 0.000 1.052 420 T CA -0.921 61.086 62.100 -0.154 0.000 1.017 420 T CB 2.076 70.897 68.868 -0.078 0.000 1.137 420 T HN -0.121 nan 8.240 nan 0.000 0.511 421 V N 1.722 121.518 119.914 -0.197 0.000 2.531 421 V HA 0.453 4.477 4.120 -0.160 0.000 0.301 421 V C -0.331 175.754 176.094 -0.015 0.000 1.034 421 V CA -0.945 61.271 62.300 -0.139 0.000 0.865 421 V CB 1.558 33.249 31.823 -0.220 0.000 0.995 421 V HN 0.855 nan 8.190 nan 0.000 0.424 422 I N 5.513 126.075 120.570 -0.013 0.000 2.365 422 I HA 0.391 4.465 4.170 -0.160 0.000 0.291 422 I C -0.487 175.659 176.117 0.048 0.000 1.004 422 I CA -0.251 61.053 61.300 0.007 0.000 1.311 422 I CB 1.068 39.015 38.000 -0.088 0.000 1.401 422 I HN 0.326 nan 8.210 nan 0.000 0.491 423 L N 5.949 127.223 121.223 0.086 0.000 2.296 423 L HA 0.557 4.801 4.340 -0.160 0.000 0.286 423 L C -0.033 176.921 176.870 0.140 0.000 1.023 423 L CA -0.204 54.697 54.840 0.102 0.000 0.812 423 L CB 1.803 43.918 42.059 0.093 0.000 1.223 423 L HN 0.567 nan 8.230 nan 0.000 0.421 424 T N 2.079 116.740 114.554 0.178 0.000 2.896 424 T HA 0.896 5.150 4.350 -0.160 0.000 0.297 424 T C -1.555 173.275 174.700 0.217 0.000 1.108 424 T CA -0.372 61.872 62.100 0.241 0.000 1.004 424 T CB 2.006 71.090 68.868 0.361 0.000 1.159 424 T HN 0.768 nan 8.240 nan 0.000 0.499 425 A N 1.017 123.970 122.820 0.221 0.000 2.582 425 A HA 0.797 5.021 4.320 -0.160 0.000 0.297 425 A C 0.026 177.743 177.584 0.222 0.000 1.059 425 A CA 0.112 52.280 52.037 0.218 0.000 0.705 425 A CB 0.775 19.906 19.000 0.218 0.000 1.279 425 A HN 2.165 nan 8.150 nan 0.000 0.404 426 G N -0.911 108.024 108.800 0.225 0.000 2.690 426 G HA2 0.187 4.051 3.960 -0.160 0.000 0.686 426 G HA3 0.187 4.051 3.960 -0.160 0.000 0.686 426 G C 0.872 175.912 174.900 0.232 0.000 1.277 426 G CA -0.057 45.198 45.100 0.257 0.000 0.799 426 G HN 2.566 nan 8.290 nan 0.000 0.613 427 C N 0.417 119.899 119.300 0.305 0.000 2.460 427 C HA 0.445 4.809 4.460 -0.160 0.000 0.291 427 C C 2.741 177.938 174.990 0.345 0.000 1.493 427 C CA 0.993 60.252 59.018 0.402 0.000 1.748 427 C CB -1.645 26.362 27.740 0.445 0.000 1.656 427 C HN 2.102 nan 8.230 nan 0.000 0.576 428 A N 1.834 124.783 122.820 0.214 0.000 2.168 428 A HA -0.042 4.182 4.320 -0.160 0.000 0.215 428 A C 2.369 179.903 177.584 -0.083 0.000 1.152 428 A CA 1.225 53.334 52.037 0.121 0.000 0.716 428 A CB -0.522 18.550 19.000 0.119 0.000 0.794 428 A HN 0.899 nan 8.150 nan 0.000 0.465 429 K N -1.312 118.981 120.400 -0.179 0.000 2.211 429 K HA -0.167 4.057 4.320 -0.160 0.000 0.203 429 K C 1.317 177.421 176.600 -0.827 0.000 1.050 429 K CA 1.518 57.448 56.287 -0.596 0.000 0.945 429 K CB -0.617 31.679 32.500 -0.339 0.000 0.732 429 K HN 0.442 nan 8.250 nan 0.000 0.451 430 Y N 1.505 121.611 120.300 -0.323 0.000 2.403 430 Y HA -0.032 4.416 4.550 -0.171 0.000 0.291 430 Y C 2.199 177.963 175.900 -0.227 0.000 1.143 430 Y CA 0.675 58.631 58.100 -0.240 0.000 1.257 430 Y CB -0.041 38.317 38.460 -0.170 0.000 0.984 430 Y HN 0.004 nan 8.280 nan 0.000 0.550 431 R N -0.257 120.145 120.500 -0.163 0.000 2.285 431 R HA -0.113 4.131 4.340 -0.160 0.000 0.213 431 R C 0.183 176.527 176.300 0.073 0.000 1.068 431 R CA 1.138 57.257 56.100 0.032 0.000 1.004 431 R CB -0.460 29.973 30.300 0.222 0.000 0.873 431 R HN 0.695 nan 8.270 nan 0.000 0.467 432 Y N -2.997 117.372 120.300 0.115 0.000 2.922 432 Y HA 0.221 4.674 4.550 -0.161 0.000 0.294 432 Y C 0.674 176.597 175.900 0.038 0.000 0.979 432 Y CA -0.897 57.253 58.100 0.083 0.000 1.228 432 Y CB -0.836 37.689 38.460 0.109 0.000 1.425 432 Y HN -0.123 nan 8.280 nan 0.000 0.588 433 N N 0.777 119.401 118.700 -0.126 0.000 2.461 433 N HA -0.029 4.615 4.740 -0.160 0.000 0.188 433 N C 0.678 176.179 175.510 -0.014 0.000 1.134 433 N CA 0.475 53.494 53.050 -0.053 0.000 0.878 433 N CB 0.029 38.382 38.487 -0.222 0.000 0.972 433 N HN 0.225 nan 8.380 nan 0.000 0.456 434 K N 0.266 120.669 120.400 0.004 0.000 2.373 434 K HA 0.313 4.537 4.320 -0.160 0.000 0.202 434 K C 0.622 177.241 176.600 0.032 0.000 1.025 434 K CA -0.176 56.121 56.287 0.017 0.000 1.115 434 K CB 0.737 33.246 32.500 0.014 0.000 0.858 434 K HN 0.242 nan 8.250 nan 0.000 0.525 435 L N 0.716 121.973 121.223 0.057 0.000 2.744 435 L HA 0.244 4.488 4.340 -0.160 0.000 0.218 435 L C 0.270 177.163 176.870 0.037 0.000 1.190 435 L CA -0.687 54.184 54.840 0.052 0.000 0.869 435 L CB 0.229 42.335 42.059 0.078 0.000 1.652 435 L HN -0.022 nan 8.230 nan 0.000 0.519 436 N N 0.939 119.655 118.700 0.025 0.000 2.790 436 N HA 0.276 4.920 4.740 -0.160 0.000 0.256 436 N C 0.061 175.573 175.510 0.005 0.000 1.409 436 N CA -0.082 52.976 53.050 0.014 0.000 0.799 436 N CB 1.234 39.724 38.487 0.005 0.000 1.170 436 N HN 0.454 nan 8.380 nan 0.000 0.507 437 L N -0.003 121.225 121.223 0.008 0.000 2.591 437 L HA 0.199 4.443 4.340 -0.160 0.000 0.228 437 L C 1.497 178.353 176.870 -0.023 0.000 1.133 437 L CA 0.084 54.917 54.840 -0.010 0.000 0.880 437 L CB -0.574 41.482 42.059 -0.005 0.000 1.033 437 L HN 0.531 nan 8.230 nan 0.000 0.450 438 G N 1.844 110.635 108.800 -0.015 0.000 2.552 438 G HA2 -0.323 3.541 3.960 -0.160 0.000 0.265 438 G HA3 -0.323 3.541 3.960 -0.160 0.000 0.265 438 G C -0.567 174.317 174.900 -0.026 0.000 1.234 438 G CA 0.261 45.349 45.100 -0.020 0.000 0.944 438 G HN 0.604 nan 8.290 nan 0.000 0.568 439 D N -2.045 118.336 120.400 -0.031 0.000 2.615 439 D HA 0.641 5.185 4.640 -0.160 0.000 0.267 439 D C -0.639 175.635 176.300 -0.044 0.000 1.236 439 D CA -0.964 53.014 54.000 -0.038 0.000 0.839 439 D CB 1.283 42.071 40.800 -0.021 0.000 1.380 439 D HN 0.699 nan 8.370 nan 0.000 0.433 440 I N 0.854 121.394 120.570 -0.050 0.000 2.420 440 I HA 0.500 4.574 4.170 -0.160 0.000 0.282 440 I C 0.881 176.978 176.117 -0.032 0.000 1.019 440 I CA -0.634 60.635 61.300 -0.051 0.000 1.130 440 I CB 1.513 39.466 38.000 -0.078 0.000 1.262 440 I HN 0.906 nan 8.210 nan 0.000 0.454 441 G N 4.325 113.112 108.800 -0.022 0.000 2.283 441 G HA2 -0.173 3.691 3.960 -0.160 0.000 0.280 441 G HA3 -0.173 3.691 3.960 -0.160 0.000 0.280 441 G C 0.983 175.884 174.900 0.002 0.000 1.029 441 G CA 0.611 45.706 45.100 -0.009 0.000 0.840 441 G HN 1.412 nan 8.290 nan 0.000 0.505 442 G N -1.665 107.136 108.800 0.001 0.000 2.176 442 G HA2 -0.252 3.612 3.960 -0.160 0.000 0.253 442 G HA3 -0.252 3.612 3.960 -0.160 0.000 0.253 442 G C 0.360 175.275 174.900 0.025 0.000 0.979 442 G CA 0.328 45.437 45.100 0.015 0.000 0.641 442 G HN 1.291 nan 8.290 nan 0.000 0.530 443 I N 2.404 122.978 120.570 0.005 0.000 2.312 443 I HA 0.284 4.358 4.170 -0.160 0.000 0.290 443 I C -1.999 174.081 176.117 -0.062 0.000 1.008 443 I CA -2.361 58.933 61.300 -0.010 0.000 1.226 443 I CB 1.634 39.625 38.000 -0.014 0.000 1.371 443 I HN -0.151 nan 8.210 nan 0.000 0.468 444 P HA 0.004 nan 4.420 nan 0.000 0.264 444 P C 0.048 177.265 177.300 -0.139 0.000 1.179 444 P CA 0.088 63.125 63.100 -0.104 0.000 0.763 444 P CB 0.428 32.055 31.700 -0.123 0.000 0.806 445 R N 1.057 121.504 120.500 -0.089 0.000 2.325 445 R HA 0.153 4.397 4.340 -0.160 0.000 0.214 445 R C -0.413 175.847 176.300 -0.067 0.000 0.961 445 R CA 0.247 56.296 56.100 -0.085 0.000 1.086 445 R CB 0.026 30.285 30.300 -0.068 0.000 1.037 445 R HN 0.278 nan 8.270 nan 0.000 0.493 446 V N 1.946 121.814 119.914 -0.077 0.000 2.532 446 V HA 0.250 4.273 4.120 -0.160 0.000 0.294 446 V C -0.699 175.321 176.094 -0.124 0.000 1.036 446 V CA -0.601 61.685 62.300 -0.024 0.000 0.876 446 V CB 2.076 33.945 31.823 0.077 0.000 1.012 446 V HN 0.121 nan 8.190 nan 0.000 0.432 447 L N 3.871 125.002 121.223 -0.153 0.000 2.277 447 L HA 0.530 4.774 4.340 -0.160 0.000 0.284 447 L C -0.304 176.578 176.870 0.019 0.000 1.028 447 L CA -0.384 54.265 54.840 -0.318 0.000 0.835 447 L CB 1.390 43.189 42.059 -0.433 0.000 1.215 447 L HN 0.518 nan 8.230 nan 0.000 0.425 448 D N 2.290 122.780 120.400 0.150 0.000 2.325 448 D HA 0.260 4.804 4.640 -0.160 0.000 0.251 448 D C 0.713 177.180 176.300 0.279 0.000 1.196 448 D CA 0.019 54.157 54.000 0.230 0.000 0.866 448 D CB 2.081 43.044 40.800 0.272 0.000 1.101 448 D HN 0.595 nan 8.370 nan 0.000 0.476 449 A N 2.989 125.964 122.820 0.258 0.000 1.930 449 A HA 0.450 4.674 4.320 -0.160 0.000 0.215 449 A C 1.283 179.045 177.584 0.298 0.000 1.176 449 A CA 1.459 53.645 52.037 0.249 0.000 0.632 449 A CB -0.179 18.948 19.000 0.213 0.000 0.819 449 A HN 0.771 nan 8.150 nan 0.000 0.445 450 G N -1.838 107.161 108.800 0.332 0.000 2.470 450 G HA2 0.182 4.046 3.960 -0.160 0.000 0.145 450 G HA3 0.182 4.046 3.960 -0.160 0.000 0.145 450 G C -0.821 174.230 174.900 0.251 0.000 1.223 450 G CA -0.202 45.105 45.100 0.345 0.000 1.058 450 G HN 0.370 nan 8.290 nan 0.000 0.469 451 Q N -0.576 119.362 119.800 0.231 0.000 2.397 451 Q HA 0.338 4.582 4.340 -0.160 0.000 0.193 451 Q C 2.136 178.289 176.000 0.255 0.000 1.083 451 Q CA 0.069 56.011 55.803 0.232 0.000 1.108 451 Q CB 0.743 29.636 28.738 0.257 0.000 1.172 451 Q HN 0.989 nan 8.270 nan 0.000 0.617 452 C N -0.872 118.618 119.300 0.318 0.000 2.432 452 C HA -0.064 4.300 4.460 -0.160 0.000 0.280 452 C C 1.600 176.724 174.990 0.223 0.000 1.353 452 C CA 0.490 59.694 59.018 0.309 0.000 1.766 452 C CB -1.291 26.683 27.740 0.389 0.000 1.924 452 C HN 0.809 nan 8.230 nan 0.000 0.509 453 N N 0.983 119.736 118.700 0.088 0.000 2.550 453 N HA -0.094 4.550 4.740 -0.160 0.000 0.186 453 N C 0.423 175.920 175.510 -0.022 0.000 1.110 453 N CA 0.846 53.714 53.050 -0.305 0.000 0.912 453 N CB -0.603 37.467 38.487 -0.696 0.000 0.968 453 N HN 0.578 nan 8.380 nan 0.000 0.448 454 D N 0.465 120.946 120.400 0.136 0.000 2.325 454 D HA 0.128 4.672 4.640 -0.160 0.000 0.225 454 D C 0.601 177.035 176.300 0.223 0.000 1.096 454 D CA 0.046 54.176 54.000 0.216 0.000 0.844 454 D CB 0.398 41.340 40.800 0.237 0.000 0.925 454 D HN 0.152 nan 8.370 nan 0.000 0.513 455 S N 0.003 115.826 115.700 0.203 0.000 2.453 455 S HA -0.145 4.229 4.470 -0.160 0.000 0.231 455 S C 1.658 176.360 174.600 0.170 0.000 1.005 455 S CA 0.052 58.366 58.200 0.190 0.000 0.949 455 S CB -0.120 63.197 63.200 0.196 0.000 0.774 455 S HN 0.424 nan 8.310 nan 0.000 0.510 456 Y N 2.830 123.179 120.300 0.082 0.000 2.165 456 Y HA -0.214 4.237 4.550 -0.165 0.000 0.286 456 Y C 2.365 178.314 175.900 0.081 0.000 1.155 456 Y CA 1.521 59.658 58.100 0.061 0.000 1.164 456 Y CB -0.585 37.900 38.460 0.041 0.000 0.978 456 Y HN 0.185 nan 8.280 nan 0.000 0.513 457 S N 0.449 116.222 115.700 0.121 0.000 2.383 457 S HA -0.143 4.231 4.470 -0.160 0.000 0.227 457 S C 2.035 176.641 174.600 0.009 0.000 1.026 457 S CA 1.422 59.684 58.200 0.104 0.000 0.981 457 S CB -0.521 62.840 63.200 0.268 0.000 0.818 457 S HN 0.468 nan 8.310 nan 0.000 0.472 458 L N 1.213 122.464 121.223 0.047 0.000 2.083 458 L HA -0.146 4.097 4.340 -0.160 0.000 0.209 458 L C 2.825 179.683 176.870 -0.019 0.000 1.083 458 L CA 1.220 56.081 54.840 0.035 0.000 0.752 458 L CB -0.834 41.280 42.059 0.093 0.000 0.899 458 L HN 0.324 nan 8.230 nan 0.000 0.433 459 A N -0.047 122.736 122.820 -0.061 0.000 1.858 459 A HA -0.148 4.076 4.320 -0.160 0.000 0.216 459 A C 2.369 179.844 177.584 -0.181 0.000 1.190 459 A CA 1.789 53.764 52.037 -0.104 0.000 0.617 459 A CB -0.895 18.021 19.000 -0.141 0.000 0.827 459 A HN 0.159 nan 8.150 nan 0.000 0.443 460 V N 0.417 120.135 119.914 -0.326 0.000 2.287 460 V HA -0.319 3.704 4.120 -0.160 0.000 0.248 460 V C 2.454 178.453 176.094 -0.159 0.000 1.053 460 V CA 2.224 64.337 62.300 -0.312 0.000 1.027 460 V CB -0.761 30.785 31.823 -0.460 0.000 0.646 460 V HN 0.583 nan 8.190 nan 0.000 0.447 461 I N 0.303 120.808 120.570 -0.107 0.000 2.151 461 I HA -0.307 3.767 4.170 -0.160 0.000 0.243 461 I C 2.662 178.718 176.117 -0.102 0.000 1.080 461 I CA 1.687 62.938 61.300 -0.082 0.000 1.339 461 I CB -0.652 37.307 38.000 -0.069 0.000 1.039 461 I HN 0.318 nan 8.210 nan 0.000 0.409 462 A N 0.996 123.759 122.820 -0.094 0.000 1.877 462 A HA -0.167 4.057 4.320 -0.160 0.000 0.216 462 A C 2.288 179.849 177.584 -0.039 0.000 1.186 462 A CA 1.474 53.471 52.037 -0.066 0.000 0.620 462 A CB -0.957 18.042 19.000 -0.002 0.000 0.822 462 A HN 0.393 nan 8.150 nan 0.000 0.443 463 L N -0.746 120.445 121.223 -0.052 0.000 2.127 463 L HA -0.218 4.026 4.340 -0.160 0.000 0.211 463 L C 2.573 179.418 176.870 -0.043 0.000 1.089 463 L CA 1.791 56.604 54.840 -0.045 0.000 0.757 463 L CB -0.408 41.609 42.059 -0.070 0.000 0.899 463 L HN 0.387 nan 8.230 nan 0.000 0.434 464 K N 0.984 121.347 120.400 -0.060 0.000 2.025 464 K HA -0.131 4.093 4.320 -0.160 0.000 0.207 464 K C 1.941 178.506 176.600 -0.058 0.000 1.049 464 K CA 1.554 57.804 56.287 -0.062 0.000 0.933 464 K CB -0.392 32.066 32.500 -0.069 0.000 0.714 464 K HN 0.174 nan 8.250 nan 0.000 0.438 465 L N 0.731 121.930 121.223 -0.039 0.000 2.131 465 L HA -0.117 4.126 4.340 -0.160 0.000 0.210 465 L C 2.613 179.562 176.870 0.131 0.000 1.092 465 L CA 1.485 56.334 54.840 0.014 0.000 0.759 465 L CB -0.474 41.641 42.059 0.094 0.000 0.903 465 L HN 0.290 nan 8.230 nan 0.000 0.435 466 K N 0.112 120.569 120.400 0.095 0.000 2.148 466 K HA -0.206 4.018 4.320 -0.160 0.000 0.204 466 K C 2.088 178.731 176.600 0.072 0.000 1.050 466 K CA 1.139 57.492 56.287 0.110 0.000 0.942 466 K CB 0.075 32.608 32.500 0.056 0.000 0.724 466 K HN 0.198 nan 8.250 nan 0.000 0.446 467 E N 0.597 120.806 120.200 0.015 0.000 2.028 467 E HA -0.124 4.130 4.350 -0.160 0.000 0.190 467 E C 2.049 178.632 176.600 -0.028 0.000 0.984 467 E CA 1.147 57.542 56.400 -0.008 0.000 0.800 467 E CB -0.050 29.632 29.700 -0.030 0.000 0.758 467 E HN 0.140 nan 8.360 nan 0.000 0.448 468 V N 0.794 120.652 119.914 -0.094 0.000 2.231 468 V HA -0.270 3.754 4.120 -0.160 0.000 0.248 468 V C 2.180 178.166 176.094 -0.180 0.000 1.054 468 V CA 1.983 64.163 62.300 -0.201 0.000 1.015 468 V CB -0.702 30.891 31.823 -0.383 0.000 0.638 468 V HN 0.244 nan 8.190 nan 0.000 0.444 469 F N 0.880 120.831 119.950 0.002 0.000 2.805 469 F HA 0.278 4.708 4.527 -0.161 0.000 0.301 469 F C 1.742 177.545 175.800 0.005 0.000 1.196 469 F CA 0.495 58.500 58.000 0.008 0.000 1.439 469 F CB -0.827 38.182 39.000 0.015 0.000 1.117 469 F HN 0.331 nan 8.300 nan 0.000 0.581 470 G N 2.027 110.904 108.800 0.128 0.000 2.412 470 G HA2 -0.306 3.558 3.960 -0.160 0.000 0.297 470 G HA3 -0.306 3.558 3.960 -0.160 0.000 0.297 470 G C -0.083 174.870 174.900 0.087 0.000 0.965 470 G CA -0.103 45.046 45.100 0.082 0.000 1.134 470 G HN 0.354 nan 8.290 nan 0.000 0.511 471 L N -1.083 120.198 121.223 0.096 0.000 2.325 471 L HA 0.671 4.915 4.340 -0.160 0.000 0.279 471 L C 1.570 178.463 176.870 0.039 0.000 1.054 471 L CA -0.116 54.764 54.840 0.066 0.000 0.804 471 L CB 1.006 43.108 42.059 0.072 0.000 1.200 471 L HN 0.411 nan 8.230 nan 0.000 0.436 472 E N 1.116 121.330 120.200 0.024 0.000 2.230 472 E HA -0.092 4.161 4.350 -0.160 0.000 0.192 472 E C 0.327 176.932 176.600 0.007 0.000 0.987 472 E CA 0.797 57.205 56.400 0.012 0.000 0.841 472 E CB 0.121 29.824 29.700 0.006 0.000 0.783 472 E HN 0.674 nan 8.360 nan 0.000 0.481 473 D N -0.569 119.837 120.400 0.010 0.000 2.408 473 D HA 0.214 4.758 4.640 -0.160 0.000 0.243 473 D C 0.894 177.204 176.300 0.017 0.000 1.075 473 D CA -0.256 53.747 54.000 0.005 0.000 0.832 473 D CB 1.902 42.701 40.800 -0.003 0.000 1.162 473 D HN -0.023 nan 8.370 nan 0.000 0.515 474 V N 4.914 124.838 119.914 0.017 0.000 2.453 474 V HA -0.227 3.797 4.120 -0.160 0.000 0.252 474 V C 1.363 177.488 176.094 0.051 0.000 1.068 474 V CA 1.758 64.078 62.300 0.033 0.000 1.070 474 V CB -0.335 31.503 31.823 0.024 0.000 0.664 474 V HN 0.543 nan 8.190 nan 0.000 0.461 475 N N 0.426 119.148 118.700 0.036 0.000 2.609 475 N HA -0.083 4.561 4.740 -0.160 0.000 0.190 475 N C 0.877 176.411 175.510 0.039 0.000 1.157 475 N CA 1.086 54.165 53.050 0.049 0.000 0.918 475 N CB -0.238 38.259 38.487 0.015 0.000 0.978 475 N HN 0.602 nan 8.380 nan 0.000 0.448 476 D N 0.380 120.796 120.400 0.026 0.000 2.339 476 D HA 0.113 4.657 4.640 -0.160 0.000 0.217 476 D C 0.646 176.944 176.300 -0.002 0.000 1.050 476 D CA 0.055 54.060 54.000 0.009 0.000 0.856 476 D CB 0.668 41.469 40.800 0.001 0.000 0.922 476 D HN 0.222 nan 8.370 nan 0.000 0.518 477 L N 2.015 123.251 121.223 0.022 0.000 2.418 477 L HA 0.194 4.438 4.340 -0.160 0.000 0.265 477 L C -1.594 175.294 176.870 0.030 0.000 1.143 477 L CA -1.555 53.292 54.840 0.012 0.000 0.809 477 L CB 0.583 42.668 42.059 0.043 0.000 1.124 477 L HN -0.214 nan 8.230 nan 0.000 0.456 478 P HA 0.140 nan 4.420 nan 0.000 0.231 478 P C -0.643 176.749 177.300 0.152 0.000 1.756 478 P CA 0.518 63.670 63.100 0.088 0.000 0.990 478 P CB -0.383 31.371 31.700 0.090 0.000 1.973 479 I N 0.736 121.341 120.570 0.058 0.000 2.466 479 I HA 0.277 4.351 4.170 -0.160 0.000 0.289 479 I C -0.079 175.926 176.117 -0.187 0.000 1.026 479 I CA -1.173 60.090 61.300 -0.063 0.000 1.078 479 I CB 2.759 40.633 38.000 -0.211 0.000 1.249 479 I HN -0.205 nan 8.210 nan 0.000 0.429 480 V N 6.708 126.493 119.914 -0.214 0.000 2.435 480 V HA 0.310 4.334 4.120 -0.160 0.000 0.290 480 V C -0.964 174.977 176.094 -0.256 0.000 1.030 480 V CA -0.549 61.638 62.300 -0.188 0.000 0.881 480 V CB 1.441 33.131 31.823 -0.222 0.000 0.983 480 V HN 0.405 nan 8.190 nan 0.000 0.445 481 Y N 3.410 123.696 120.300 -0.024 0.000 2.491 481 Y HA 0.418 4.870 4.550 -0.164 0.000 0.334 481 Y C 0.634 176.560 175.900 0.042 0.000 0.969 481 Y CA -0.485 57.617 58.100 0.003 0.000 1.241 481 Y CB 0.784 39.211 38.460 -0.055 0.000 1.105 481 Y HN 0.526 nan 8.280 nan 0.000 0.503 482 N N 4.859 123.678 118.700 0.197 0.000 2.976 482 N HA 0.329 4.973 4.740 -0.160 0.000 0.255 482 N C -1.096 174.586 175.510 0.287 0.000 1.312 482 N CA -0.096 53.094 53.050 0.233 0.000 0.897 482 N CB 0.128 38.677 38.487 0.103 0.000 1.184 482 N HN 0.595 nan 8.380 nan 0.000 0.497 483 I N 0.949 121.683 120.570 0.273 0.000 2.440 483 I HA 0.473 4.547 4.170 -0.160 0.000 0.294 483 I C 0.442 176.699 176.117 0.233 0.000 0.995 483 I CA -0.862 60.578 61.300 0.233 0.000 1.306 483 I CB 1.622 39.750 38.000 0.212 0.000 1.407 483 I HN 0.257 nan 8.210 nan 0.000 0.501 484 A N 7.077 129.962 122.820 0.109 0.000 2.330 484 A HA 0.707 4.931 4.320 -0.160 0.000 0.327 484 A C -1.073 176.677 177.584 0.277 0.000 1.155 484 A CA -0.515 51.565 52.037 0.072 0.000 0.803 484 A CB 1.000 19.731 19.000 -0.447 0.000 1.208 484 A HN 0.805 nan 8.150 nan 0.000 0.477 485 W N 1.830 123.199 121.300 0.115 0.000 2.820 485 W HA 0.677 5.222 4.660 -0.192 0.000 0.350 485 W C -1.124 175.546 176.519 0.252 0.000 1.116 485 W CA -0.929 56.515 57.345 0.164 0.000 1.146 485 W CB 1.080 30.615 29.460 0.125 0.000 1.433 485 W HN 0.722 nan 8.180 nan 0.000 0.561 486 Y N 0.976 121.208 120.300 -0.115 0.000 3.280 486 Y HA 0.172 4.611 4.550 -0.185 0.000 0.195 486 Y C 0.208 175.944 175.900 -0.274 0.000 0.916 486 Y CA 1.310 59.191 58.100 -0.366 0.000 1.655 486 Y CB 0.095 38.532 38.460 -0.037 0.000 1.472 486 Y HN 0.455 nan 8.280 nan 0.000 0.384 487 E N -0.093 119.959 120.200 -0.246 0.000 2.568 487 E HA 0.328 4.582 4.350 -0.160 0.000 0.242 487 E C 0.476 177.114 176.600 0.064 0.000 0.945 487 E CA -0.438 55.802 56.400 -0.267 0.000 0.918 487 E CB 0.320 29.790 29.700 -0.383 0.000 1.386 487 E HN 0.055 nan 8.360 nan 0.000 0.426 488 Q N -0.178 119.597 119.800 -0.041 0.000 2.364 488 Q HA -0.047 4.196 4.340 -0.160 0.000 0.209 488 Q C 1.462 177.466 176.000 0.005 0.000 0.977 488 Q CA 1.384 57.190 55.803 0.005 0.000 0.885 488 Q CB -0.242 28.455 28.738 -0.068 0.000 0.941 488 Q HN 0.430 nan 8.270 nan 0.000 0.464 489 K N -0.249 120.140 120.400 -0.018 0.000 2.116 489 K HA 0.078 4.302 4.320 -0.160 0.000 0.203 489 K C 1.895 178.562 176.600 0.111 0.000 1.052 489 K CA 0.803 57.045 56.287 -0.075 0.000 0.952 489 K CB -0.038 32.401 32.500 -0.102 0.000 0.729 489 K HN 0.222 nan 8.250 nan 0.000 0.446 490 A N 0.570 123.518 122.820 0.214 0.000 1.969 490 A HA -0.085 4.139 4.320 -0.160 0.000 0.218 490 A C 2.065 179.792 177.584 0.237 0.000 1.169 490 A CA 1.151 53.363 52.037 0.292 0.000 0.635 490 A CB -0.348 18.904 19.000 0.419 0.000 0.810 490 A HN 0.107 nan 8.150 nan 0.000 0.445 491 V N -0.554 119.490 119.914 0.216 0.000 2.626 491 V HA -0.171 3.853 4.120 -0.160 0.000 0.252 491 V C 2.214 178.361 176.094 0.088 0.000 1.067 491 V CA 1.697 64.080 62.300 0.137 0.000 1.081 491 V CB -0.556 31.379 31.823 0.187 0.000 0.686 491 V HN 0.585 nan 8.190 nan 0.000 0.468 492 I N -0.672 119.950 120.570 0.088 0.000 3.030 492 I HA 0.006 4.080 4.170 -0.160 0.000 0.270 492 I C 2.020 178.216 176.117 0.132 0.000 1.211 492 I CA 1.094 62.445 61.300 0.084 0.000 1.479 492 I CB 0.140 38.167 38.000 0.045 0.000 1.105 492 I HN 0.024 nan 8.210 nan 0.000 0.447 493 V N 0.253 120.269 119.914 0.170 0.000 2.379 493 V HA -0.196 3.828 4.120 -0.160 0.000 0.245 493 V C 2.364 178.516 176.094 0.097 0.000 1.044 493 V CA 1.673 64.084 62.300 0.184 0.000 1.036 493 V CB -0.523 31.436 31.823 0.228 0.000 0.664 493 V HN 0.473 nan 8.190 nan 0.000 0.453 494 L N -0.145 121.114 121.223 0.059 0.000 2.017 494 L HA -0.127 4.117 4.340 -0.160 0.000 0.208 494 L C 2.158 178.983 176.870 -0.076 0.000 1.073 494 L CA 1.981 56.807 54.840 -0.024 0.000 0.745 494 L CB -0.535 41.485 42.059 -0.065 0.000 0.894 494 L HN 0.206 nan 8.230 nan 0.000 0.432 495 L N -0.556 120.635 121.223 -0.052 0.000 2.265 495 L HA -0.146 4.098 4.340 -0.160 0.000 0.215 495 L C 2.594 179.433 176.870 -0.051 0.000 1.117 495 L CA 0.879 55.671 54.840 -0.080 0.000 0.782 495 L CB -0.935 41.106 42.059 -0.031 0.000 0.914 495 L HN 0.417 nan 8.230 nan 0.000 0.441 496 A N 0.215 123.036 122.820 0.002 0.000 1.897 496 A HA -0.086 4.138 4.320 -0.160 0.000 0.215 496 A C 2.237 179.811 177.584 -0.016 0.000 1.181 496 A CA 0.995 53.044 52.037 0.021 0.000 0.620 496 A CB -0.452 18.599 19.000 0.084 0.000 0.821 496 A HN 0.328 nan 8.150 nan 0.000 0.443 497 L N -0.517 120.682 121.223 -0.041 0.000 2.093 497 L HA -0.152 4.092 4.340 -0.160 0.000 0.208 497 L C 2.495 179.297 176.870 -0.114 0.000 1.085 497 L CA 0.934 55.720 54.840 -0.091 0.000 0.755 497 L CB -0.537 41.441 42.059 -0.135 0.000 0.904 497 L HN 0.369 nan 8.230 nan 0.000 0.435 498 L N -0.453 120.672 121.223 -0.163 0.000 2.093 498 L HA -0.166 4.078 4.340 -0.160 0.000 0.208 498 L C 2.874 179.731 176.870 -0.022 0.000 1.085 498 L CA 1.452 56.157 54.840 -0.225 0.000 0.755 498 L CB -0.619 41.065 42.059 -0.625 0.000 0.904 498 L HN 0.385 nan 8.230 nan 0.000 0.435 499 S N 0.021 115.698 115.700 -0.038 0.000 2.402 499 S HA -0.123 4.251 4.470 -0.160 0.000 0.229 499 S C 1.788 176.400 174.600 0.019 0.000 1.021 499 S CA 0.800 59.008 58.200 0.012 0.000 0.974 499 S CB -0.565 62.625 63.200 -0.018 0.000 0.800 499 S HN 0.398 nan 8.310 nan 0.000 0.484 500 L N 1.165 122.387 121.223 -0.003 0.000 2.599 500 L HA 0.267 4.511 4.340 -0.160 0.000 0.230 500 L C 1.899 178.769 176.870 0.000 0.000 1.141 500 L CA 0.413 55.246 54.840 -0.012 0.000 0.877 500 L CB -0.645 41.396 42.059 -0.030 0.000 1.009 500 L HN 0.638 nan 8.230 nan 0.000 0.447 501 G N -0.309 108.517 108.800 0.044 0.000 2.176 501 G HA2 -0.255 3.609 3.960 -0.160 0.000 0.253 501 G HA3 -0.255 3.609 3.960 -0.160 0.000 0.253 501 G C 0.309 175.220 174.900 0.017 0.000 0.979 501 G CA 0.054 45.185 45.100 0.052 0.000 0.641 501 G HN 0.099 nan 8.290 nan 0.000 0.530 502 V N 1.130 121.016 119.914 -0.046 0.000 2.529 502 V HA 0.406 4.430 4.120 -0.160 0.000 0.292 502 V C 0.753 176.768 176.094 -0.132 0.000 1.028 502 V CA 0.691 62.883 62.300 -0.179 0.000 1.074 502 V CB 1.024 32.600 31.823 -0.411 0.000 0.958 502 V HN 0.446 nan 8.190 nan 0.000 0.481 503 K N 3.296 123.616 120.400 -0.133 0.000 2.346 503 K HA 0.559 4.783 4.320 -0.160 0.000 0.238 503 K C 0.226 176.740 176.600 -0.142 0.000 1.039 503 K CA -0.999 55.242 56.287 -0.077 0.000 0.861 503 K CB 1.061 33.538 32.500 -0.038 0.000 1.278 503 K HN 0.569 nan 8.250 nan 0.000 0.460 504 N N 0.116 118.726 118.700 -0.149 0.000 2.776 504 N HA -0.185 4.459 4.740 -0.160 0.000 0.250 504 N C -0.708 174.509 175.510 -0.488 0.000 1.112 504 N CA 0.648 53.539 53.050 -0.264 0.000 0.733 504 N CB -1.557 36.833 38.487 -0.163 0.000 1.097 504 N HN 0.519 nan 8.380 nan 0.000 0.558 505 I N 1.985 122.336 120.570 -0.366 0.000 2.556 505 I HA -0.032 4.042 4.170 -0.160 0.000 0.284 505 I C 0.792 176.657 176.117 -0.420 0.000 1.114 505 I CA 0.344 61.447 61.300 -0.328 0.000 1.418 505 I CB 0.348 38.216 38.000 -0.220 0.000 1.394 505 I HN -0.004 nan 8.210 nan 0.000 0.552 506 H N 6.891 125.904 119.070 -0.095 0.000 2.556 506 H HA 0.376 4.835 4.556 -0.161 0.000 0.310 506 H C -0.704 174.656 175.328 0.053 0.000 1.057 506 H CA -0.733 55.266 56.048 -0.082 0.000 1.264 506 H CB 1.717 31.313 29.762 -0.276 0.000 1.404 506 H HN 0.309 nan 8.280 nan 0.000 0.462 507 L N 2.674 123.988 121.223 0.151 0.000 2.317 507 L HA 0.659 4.903 4.340 -0.160 0.000 0.281 507 L C 0.297 177.314 176.870 0.245 0.000 1.024 507 L CA 0.028 54.968 54.840 0.167 0.000 0.810 507 L CB 1.729 43.794 42.059 0.010 0.000 1.240 507 L HN 0.824 nan 8.230 nan 0.000 0.427 508 G N 3.175 112.212 108.800 0.394 0.000 2.663 508 G HA2 0.408 4.272 3.960 -0.160 0.000 0.299 508 G HA3 0.408 4.272 3.960 -0.160 0.000 0.299 508 G C -2.689 172.492 174.900 0.468 0.000 1.372 508 G CA -0.351 44.983 45.100 0.391 0.000 0.781 508 G HN 0.370 nan 8.290 nan 0.000 0.491 509 P HA 0.080 nan 4.420 nan 0.000 0.234 509 P C 0.503 177.868 177.300 0.109 0.000 1.167 509 P CA 1.243 64.441 63.100 0.165 0.000 0.763 509 P CB 0.164 31.939 31.700 0.124 0.000 0.835 510 T N -3.534 111.150 114.554 0.216 0.000 2.792 510 T HA 0.564 4.818 4.350 -0.160 0.000 0.303 510 T C -0.720 174.177 174.700 0.327 0.000 1.310 510 T CA -0.944 61.273 62.100 0.194 0.000 1.007 510 T CB 1.090 70.041 68.868 0.139 0.000 1.335 510 T HN -0.171 nan 8.240 nan 0.000 0.504 511 L N 1.499 122.818 121.223 0.160 0.000 2.325 511 L HA 0.518 4.762 4.340 -0.160 0.000 0.279 511 L C -2.281 174.568 176.870 -0.034 0.000 1.054 511 L CA -2.461 52.392 54.840 0.022 0.000 0.804 511 L CB 1.019 43.040 42.059 -0.063 0.000 1.200 511 L HN 0.493 nan 8.230 nan 0.000 0.436 512 P HA -0.116 nan 4.420 nan 0.000 0.263 512 P C -0.054 176.917 177.300 -0.549 0.000 1.168 512 P CA 0.289 62.981 63.100 -0.679 0.000 0.759 512 P CB 0.693 31.345 31.700 -1.747 0.000 0.782 513 A N 3.681 126.273 122.820 -0.380 0.000 2.066 513 A HA -0.108 4.116 4.320 -0.160 0.000 0.218 513 A C 1.360 178.824 177.584 -0.200 0.000 1.157 513 A CA 0.896 52.850 52.037 -0.138 0.000 0.670 513 A CB -1.251 17.815 19.000 0.110 0.000 0.804 513 A HN 0.666 nan 8.150 nan 0.000 0.453 514 F N -1.291 118.435 119.950 -0.374 0.000 2.795 514 F HA 0.423 4.849 4.527 -0.168 0.000 0.303 514 F C 0.164 175.910 175.800 -0.089 0.000 1.186 514 F CA -0.399 57.336 58.000 -0.443 0.000 1.415 514 F CB -0.665 37.942 39.000 -0.655 0.000 1.106 514 F HN -0.077 nan 8.300 nan 0.000 0.558 515 L N 2.451 123.590 121.223 -0.141 0.000 2.264 515 L HA 0.309 4.553 4.340 -0.160 0.000 0.287 515 L C 0.497 177.374 176.870 0.013 0.000 1.039 515 L CA -0.875 53.936 54.840 -0.048 0.000 0.829 515 L CB 0.854 42.810 42.059 -0.172 0.000 1.211 515 L HN 0.307 nan 8.230 nan 0.000 0.427 516 S N 2.948 118.690 115.700 0.071 0.000 2.585 516 S HA 0.264 4.638 4.470 -0.160 0.000 0.273 516 S C -1.817 172.809 174.600 0.044 0.000 1.339 516 S CA -1.091 57.153 58.200 0.073 0.000 1.028 516 S CB 1.106 64.360 63.200 0.090 0.000 0.906 516 S HN 0.346 nan 8.310 nan 0.000 0.528 517 P HA -0.195 nan 4.420 nan 0.000 0.214 517 P C 1.164 178.481 177.300 0.029 0.000 1.172 517 P CA 1.576 64.695 63.100 0.031 0.000 0.925 517 P CB -0.116 31.604 31.700 0.033 0.000 0.793 518 N N -0.942 117.777 118.700 0.033 0.000 2.104 518 N HA -0.110 4.534 4.740 -0.160 0.000 0.190 518 N C 1.738 177.267 175.510 0.032 0.000 1.024 518 N CA 1.077 54.146 53.050 0.031 0.000 0.853 518 N CB -1.273 37.233 38.487 0.031 0.000 1.008 518 N HN 0.043 nan 8.380 nan 0.000 0.424 519 V N 1.458 121.393 119.914 0.036 0.000 2.427 519 V HA -0.129 3.895 4.120 -0.160 0.000 0.248 519 V C 2.417 178.525 176.094 0.023 0.000 1.051 519 V CA 1.646 63.966 62.300 0.035 0.000 1.048 519 V CB -0.944 30.904 31.823 0.041 0.000 0.666 519 V HN 0.299 nan 8.190 nan 0.000 0.456 520 A N 0.282 123.110 122.820 0.013 0.000 1.969 520 A HA -0.166 4.058 4.320 -0.160 0.000 0.218 520 A C 2.460 180.053 177.584 0.016 0.000 1.169 520 A CA 2.268 54.304 52.037 -0.002 0.000 0.635 520 A CB -0.618 18.376 19.000 -0.010 0.000 0.810 520 A HN 0.534 nan 8.150 nan 0.000 0.445 521 K N -0.567 119.847 120.400 0.024 0.000 2.026 521 K HA -0.017 4.207 4.320 -0.160 0.000 0.208 521 K C 2.026 178.649 176.600 0.039 0.000 1.048 521 K CA 1.762 58.065 56.287 0.028 0.000 0.929 521 K CB -1.516 31.000 32.500 0.025 0.000 0.713 521 K HN 0.307 nan 8.250 nan 0.000 0.439 522 V N 1.494 121.438 119.914 0.049 0.000 2.407 522 V HA -0.207 3.817 4.120 -0.160 0.000 0.248 522 V C 2.551 178.726 176.094 0.136 0.000 1.055 522 V CA 1.709 64.055 62.300 0.076 0.000 1.049 522 V CB -0.437 31.436 31.823 0.083 0.000 0.662 522 V HN 0.513 nan 8.190 nan 0.000 0.455 523 L N -0.588 120.705 121.223 0.116 0.000 2.083 523 L HA -0.136 4.108 4.340 -0.160 0.000 0.209 523 L C 2.442 179.400 176.870 0.147 0.000 1.083 523 L CA 1.076 56.010 54.840 0.156 0.000 0.752 523 L CB -0.700 41.364 42.059 0.009 0.000 0.899 523 L HN 0.230 nan 8.230 nan 0.000 0.433 524 V N -0.045 119.912 119.914 0.072 0.000 2.307 524 V HA -0.229 3.795 4.120 -0.160 0.000 0.245 524 V C 2.351 178.466 176.094 0.035 0.000 1.045 524 V CA 1.738 64.065 62.300 0.045 0.000 1.024 524 V CB -0.488 31.352 31.823 0.029 0.000 0.651 524 V HN 0.459 nan 8.190 nan 0.000 0.449 525 E N -0.249 119.968 120.200 0.028 0.000 2.072 525 E HA -0.204 4.050 4.350 -0.160 0.000 0.191 525 E C 2.316 178.885 176.600 -0.052 0.000 0.985 525 E CA 1.098 57.495 56.400 -0.006 0.000 0.801 525 E CB -0.117 29.580 29.700 -0.005 0.000 0.750 525 E HN 0.541 nan 8.360 nan 0.000 0.452 526 Q N -0.677 119.087 119.800 -0.060 0.000 2.204 526 Q HA 0.035 4.279 4.340 -0.160 0.000 0.198 526 Q C 1.350 177.036 176.000 -0.522 0.000 0.946 526 Q CA 0.935 56.555 55.803 -0.305 0.000 0.859 526 Q CB 0.235 28.742 28.738 -0.385 0.000 0.946 526 Q HN 0.317 nan 8.270 nan 0.000 0.474 527 F N -0.193 119.720 119.950 -0.062 0.000 2.706 527 F HA 0.244 4.679 4.527 -0.153 0.000 0.313 527 F C 0.289 176.027 175.800 -0.103 0.000 1.096 527 F CA -0.602 57.346 58.000 -0.086 0.000 1.219 527 F CB 0.013 38.955 39.000 -0.097 0.000 1.051 527 F HN -0.004 nan 8.300 nan 0.000 0.568 528 N N 1.997 120.735 118.700 0.063 0.000 2.714 528 N HA -0.233 4.411 4.740 -0.160 0.000 0.253 528 N C -0.411 175.077 175.510 -0.037 0.000 1.024 528 N CA 0.163 53.213 53.050 0.001 0.000 0.726 528 N CB -1.141 37.326 38.487 -0.032 0.000 0.908 528 N HN 0.350 nan 8.380 nan 0.000 0.542 529 I N -0.241 120.321 120.570 -0.014 0.000 2.720 529 I HA 0.458 4.532 4.170 -0.160 0.000 0.287 529 I C 1.596 177.690 176.117 -0.039 0.000 1.090 529 I CA 0.431 61.690 61.300 -0.069 0.000 1.384 529 I CB 1.167 39.127 38.000 -0.067 0.000 1.420 529 I HN 0.418 nan 8.210 nan 0.000 0.575 530 G N 2.606 111.388 108.800 -0.030 0.000 2.708 530 G HA2 0.647 4.511 3.960 -0.160 0.000 0.289 530 G HA3 0.647 4.511 3.960 -0.160 0.000 0.289 530 G C -0.767 174.214 174.900 0.134 0.000 1.416 530 G CA -0.407 44.744 45.100 0.085 0.000 0.829 530 G HN 0.787 nan 8.290 nan 0.000 0.480 531 G N -1.326 107.571 108.800 0.161 0.000 2.828 531 G HA2 0.736 4.600 3.960 -0.160 0.000 0.244 531 G HA3 0.736 4.600 3.960 -0.160 0.000 0.244 531 G C -0.300 174.708 174.900 0.179 0.000 1.365 531 G CA -0.425 44.758 45.100 0.138 0.000 1.041 531 G HN 1.250 nan 8.290 nan 0.000 0.560 532 I N -2.666 117.925 120.570 0.034 0.000 2.957 532 I HA 0.845 4.919 4.170 -0.160 0.000 0.310 532 I C 0.463 176.500 176.117 -0.135 0.000 1.063 532 I CA -0.702 60.538 61.300 -0.099 0.000 1.033 532 I CB 2.412 40.073 38.000 -0.565 0.000 1.230 532 I HN 0.711 nan 8.210 nan 0.000 0.447 533 T N -0.092 114.392 114.554 -0.115 0.000 1.559 533 T HA 0.406 4.660 4.350 -0.160 0.000 0.177 533 T C 0.453 175.184 174.700 0.051 0.000 0.688 533 T CA 0.276 62.354 62.100 -0.036 0.000 1.094 533 T CB -0.179 68.689 68.868 -0.000 0.000 3.358 533 T HN 0.861 nan 8.240 nan 0.000 0.413 534 S N 2.081 117.840 115.700 0.099 0.000 2.646 534 S HA 0.490 4.864 4.470 -0.160 0.000 0.276 534 S C -1.789 172.930 174.600 0.198 0.000 1.222 534 S CA -1.340 56.953 58.200 0.154 0.000 1.014 534 S CB 1.349 64.581 63.200 0.054 0.000 0.991 534 S HN 0.556 nan 8.310 nan 0.000 0.533 535 P HA -0.169 nan 4.420 nan 0.000 0.219 535 P C 1.439 178.665 177.300 -0.123 0.000 1.150 535 P CA 1.169 64.155 63.100 -0.190 0.000 0.814 535 P CB -0.019 31.470 31.700 -0.352 0.000 0.787 536 Q N 0.124 119.866 119.800 -0.098 0.000 2.123 536 Q HA -0.140 4.104 4.340 -0.160 0.000 0.199 536 Q C 1.287 177.237 176.000 -0.083 0.000 0.966 536 Q CA 1.497 57.234 55.803 -0.110 0.000 0.845 536 Q CB -1.253 27.435 28.738 -0.082 0.000 0.907 536 Q HN 0.158 nan 8.270 nan 0.000 0.439 537 D N 1.650 122.020 120.400 -0.049 0.000 2.123 537 D HA -0.098 4.446 4.640 -0.160 0.000 0.200 537 D C 1.374 177.626 176.300 -0.080 0.000 0.976 537 D CA 1.234 55.209 54.000 -0.042 0.000 0.831 537 D CB -0.089 40.699 40.800 -0.020 0.000 0.974 537 D HN 0.250 nan 8.370 nan 0.000 0.469 538 D N -0.114 120.194 120.400 -0.153 0.000 2.224 538 D HA -0.043 4.500 4.640 -0.160 0.000 0.205 538 D C 2.129 178.353 176.300 -0.127 0.000 0.965 538 D CA 0.204 53.925 54.000 -0.467 0.000 0.852 538 D CB -0.115 40.138 40.800 -0.912 0.000 0.947 538 D HN 0.235 nan 8.370 nan 0.000 0.494 539 L N 0.473 121.681 121.223 -0.025 0.000 2.265 539 L HA -0.150 4.094 4.340 -0.160 0.000 0.215 539 L C 2.332 179.216 176.870 0.023 0.000 1.117 539 L CA 0.999 55.785 54.840 -0.091 0.000 0.782 539 L CB -0.071 41.751 42.059 -0.395 0.000 0.914 539 L HN -0.005 nan 8.230 nan 0.000 0.441 540 K N -0.212 120.216 120.400 0.047 0.000 2.121 540 K HA 0.026 4.250 4.320 -0.160 0.000 0.203 540 K C 2.154 178.874 176.600 0.199 0.000 1.041 540 K CA 0.881 57.217 56.287 0.081 0.000 0.969 540 K CB -0.013 32.497 32.500 0.017 0.000 0.799 540 K HN 0.097 nan 8.250 nan 0.000 0.456 541 A N 1.210 124.127 122.820 0.162 0.000 1.841 541 A HA -0.053 4.171 4.320 -0.160 0.000 0.214 541 A C 2.001 179.803 177.584 0.363 0.000 1.195 541 A CA 1.314 53.478 52.037 0.212 0.000 0.611 541 A CB -1.214 17.881 19.000 0.157 0.000 0.835 541 A HN 0.440 nan 8.150 nan 0.000 0.443 542 F N -1.413 118.612 119.950 0.125 0.000 2.271 542 F HA -0.183 4.248 4.527 -0.161 0.000 0.302 542 F C 0.413 176.046 175.800 -0.278 0.000 1.063 542 F CA 0.060 58.008 58.000 -0.086 0.000 1.362 542 F CB -0.212 38.693 39.000 -0.158 0.000 1.060 542 F HN 0.126 nan 8.300 nan 0.000 0.521 543 F N 0.000 120.110 119.950 0.267 0.000 2.286 543 F HA 0.000 4.431 4.527 -0.160 0.000 0.279 543 F CA 0.000 58.095 58.000 0.158 0.000 1.383 543 F CB 0.000 39.062 39.000 0.104 0.000 1.145 543 F HN 0.000 nan 8.300 nan 0.000 0.574