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 2pan_1_F DATA FIRST_RESID 2 DATA SEQUENCE AKXRAVDAAX YVLEKEGITT AFGVPGAAIN PFYSAXRKHG GIRHILARHV DATA SEQUENCE EGASHXAEGY TRATAGNIGV CLGTSGPAGT DXITALYSAS ADSIPILCIT DATA SEQUENCE GQAPRARLHK EDFQAVDIEA IAKPVSKXAV TVREAALVPR VLQQAFHLXR DATA SEQUENCE SGRPGPVLVD LPFDVQVAEI EFDPDXYEPL PVYKPAASRX QIEKAVEXLI DATA SEQUENCE QAERPVIVAG GGVINADAAA LLQQFAELTS VPVIPTLXGW GCIPDDHELX DATA SEQUENCE AGXVGLQTAH RYGNATLLAS DXVFGIGNRF ANRHTGSVEK YTEGRKIVHI DATA SEQUENCE DIEPTQIGRV LCPDLGIVSD AKAALTLLVE VAQEXQKAGR LPCRKEWVAD DATA SEQUENCE CQQRKRTLLR KTHFDNVPVK PQRVYEEXNK AFGRDVCYVT TIGLSQIAAA DATA SEQUENCE QXLHVFKDRH WINCGQAGPL GWTIPAALGV CAADPKRNVV AISGDFDFQF DATA SEQUENCE LIEELAVGAQ FNIPYIHVLV NNAYLGLIRQ SQRAFDXDYC VQLAFENINS DATA SEQUENCE SEVNGYGVDH VKVAEGLGCK AIRVFKPEDI APAFEQAKAL XAQYRVPVVV DATA SEQUENCE EVILERVTNI SXGSELDNVX EFEDIADNAA DAPTETCFXH YE 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.614 177.584 0.050 0.000 1.274 2 A CA 0.000 52.044 52.037 0.012 0.000 0.836 2 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 6 A N 1.257 124.032 122.820 -0.074 0.000 1.908 6 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 6 A C 1.839 179.341 177.584 -0.137 0.000 1.181 6 A CA 2.308 54.283 52.037 -0.104 0.000 0.627 6 A CB -0.646 18.311 19.000 -0.071 0.000 0.818 6 A HN 0.537 nan 8.150 nan 0.000 0.445 7 V N -2.000 117.840 119.914 -0.124 0.000 2.515 7 V HA -0.197 3.923 4.120 -0.000 0.000 0.250 7 V C 1.720 177.649 176.094 -0.275 0.000 1.058 7 V CA 2.265 64.457 62.300 -0.180 0.000 1.064 7 V CB -0.894 30.828 31.823 -0.167 0.000 0.675 7 V HN 0.389 nan 8.190 nan 0.000 0.461 8 D N 1.459 121.747 120.400 -0.187 0.000 2.117 8 D HA -0.032 4.608 4.640 -0.000 0.000 0.198 8 D C 2.331 178.568 176.300 -0.106 0.000 0.982 8 D CA 1.888 55.801 54.000 -0.145 0.000 0.828 8 D CB -0.268 40.517 40.800 -0.025 0.000 0.967 8 D HN 0.574 nan 8.370 nan 0.000 0.464 9 A N 1.295 124.037 122.820 -0.129 0.000 1.933 9 A HA 0.110 4.430 4.320 -0.000 0.000 0.218 9 A C 1.582 178.935 177.584 -0.384 0.000 1.175 9 A CA 1.279 53.138 52.037 -0.296 0.000 0.628 9 A CB -0.606 17.966 19.000 -0.712 0.000 0.814 9 A HN 0.262 nan 8.150 nan 0.000 0.444 13 V N 1.604 121.396 119.914 -0.202 0.000 2.295 13 V HA -0.305 3.815 4.120 -0.000 0.000 0.246 13 V C 2.023 177.955 176.094 -0.270 0.000 1.049 13 V CA 2.392 64.430 62.300 -0.436 0.000 1.024 13 V CB -0.707 30.838 31.823 -0.464 0.000 0.648 13 V HN 0.327 nan 8.190 nan 0.000 0.447 14 L N -0.415 120.708 121.223 -0.166 0.000 2.079 14 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 14 L C 2.653 179.450 176.870 -0.121 0.000 1.081 14 L CA 1.669 56.461 54.840 -0.080 0.000 0.752 14 L CB -0.637 41.414 42.059 -0.013 0.000 0.896 14 L HN 0.417 nan 8.230 nan 0.000 0.433 15 E N 0.242 120.359 120.200 -0.137 0.000 2.047 15 E HA -0.193 4.157 4.350 -0.000 0.000 0.191 15 E C 2.122 178.705 176.600 -0.028 0.000 0.987 15 E CA 0.959 57.319 56.400 -0.067 0.000 0.799 15 E CB -0.010 29.669 29.700 -0.034 0.000 0.752 15 E HN 0.453 nan 8.360 nan 0.000 0.449 16 K N 0.597 120.990 120.400 -0.012 0.000 2.280 16 K HA -0.092 4.228 4.320 -0.000 0.000 0.202 16 K C 1.506 178.099 176.600 -0.013 0.000 1.047 16 K CA 0.667 56.982 56.287 0.047 0.000 0.942 16 K CB 0.126 32.724 32.500 0.163 0.000 0.739 16 K HN 0.037 nan 8.250 nan 0.000 0.457 17 E N -0.502 119.598 120.200 -0.166 0.000 2.474 17 E HA 0.035 4.385 4.350 -0.000 0.000 0.195 17 E C 0.944 177.385 176.600 -0.265 0.000 1.039 17 E CA 0.300 56.465 56.400 -0.392 0.000 0.881 17 E CB 1.049 30.042 29.700 -1.178 0.000 0.970 17 E HN 0.500 nan 8.360 nan 0.000 0.486 18 G N 1.359 110.099 108.800 -0.100 0.000 2.201 18 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.212 18 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.212 18 G C 0.304 175.232 174.900 0.047 0.000 0.994 18 G CA -0.207 44.893 45.100 -0.001 0.000 0.644 18 G HN 0.213 nan 8.290 nan 0.000 0.508 19 I N 2.209 122.801 120.570 0.036 0.000 2.471 19 I HA 0.420 4.590 4.170 -0.000 0.000 0.286 19 I C 1.697 177.818 176.117 0.005 0.000 1.079 19 I CA 1.258 62.590 61.300 0.052 0.000 1.398 19 I CB 1.602 39.648 38.000 0.075 0.000 1.403 19 I HN 0.289 nan 8.210 nan 0.000 0.530 20 T N -0.410 114.144 114.554 -0.000 0.000 3.016 20 T HA 0.260 4.610 4.350 -0.000 0.000 0.271 20 T C 0.445 175.083 174.700 -0.103 0.000 0.968 20 T CA -0.083 62.004 62.100 -0.021 0.000 0.891 20 T CB 0.180 69.068 68.868 0.034 0.000 1.149 20 T HN 0.492 nan 8.240 nan 0.000 0.524 21 T N 1.669 116.086 114.554 -0.227 0.000 2.909 21 T HA 0.807 5.157 4.350 -0.000 0.000 0.299 21 T C -1.390 172.956 174.700 -0.590 0.000 1.073 21 T CA -0.616 61.209 62.100 -0.459 0.000 0.999 21 T CB 1.883 70.375 68.868 -0.626 0.000 1.098 21 T HN 0.526 nan 8.240 nan 0.000 0.477 22 A N 1.998 124.389 122.820 -0.714 0.000 2.488 22 A HA 0.812 5.132 4.320 -0.000 0.000 0.298 22 A C -1.739 175.329 177.584 -0.859 0.000 1.044 22 A CA -0.782 50.904 52.037 -0.584 0.000 0.693 22 A CB 0.913 19.790 19.000 -0.205 0.000 1.272 22 A HN 0.661 nan 8.150 nan 0.000 0.402 23 F N 1.381 121.149 119.950 -0.302 0.000 2.458 23 F HA 0.794 5.321 4.527 -0.000 0.000 0.336 23 F C 0.923 176.606 175.800 -0.194 0.000 1.114 23 F CA 0.214 58.005 58.000 -0.349 0.000 0.987 23 F CB 2.585 41.427 39.000 -0.264 0.000 1.130 23 F HN 0.947 nan 8.300 nan 0.000 0.458 24 G N 0.727 109.529 108.800 0.003 0.000 2.488 24 G HA2 0.575 4.535 3.960 -0.000 0.000 0.301 24 G HA3 0.575 4.535 3.960 -0.000 0.000 0.301 24 G C -2.386 172.706 174.900 0.320 0.000 1.339 24 G CA -0.760 44.497 45.100 0.263 0.000 0.803 24 G HN 0.450 nan 8.290 nan 0.000 0.482 25 V N 2.276 122.353 119.914 0.272 0.000 2.488 25 V HA 0.514 4.634 4.120 -0.000 0.000 0.293 25 V C -2.139 173.980 176.094 0.041 0.000 1.027 25 V CA -1.112 61.278 62.300 0.150 0.000 0.862 25 V CB 1.894 33.762 31.823 0.076 0.000 1.008 25 V HN 0.694 nan 8.190 nan 0.000 0.428 26 P HA 0.595 nan 4.420 nan 0.000 0.274 26 P C -0.029 177.144 177.300 -0.210 0.000 1.256 26 P CA 0.086 62.894 63.100 -0.487 0.000 0.795 26 P CB 1.514 32.626 31.700 -0.980 0.000 1.038 27 G N -1.983 106.717 108.800 -0.167 0.000 2.576 27 G HA2 0.438 4.398 3.960 -0.000 0.000 0.290 27 G HA3 0.438 4.398 3.960 -0.000 0.000 0.290 27 G C 0.413 175.318 174.900 0.007 0.000 1.442 27 G CA -0.052 45.019 45.100 -0.048 0.000 0.792 27 G HN 0.378 nan 8.290 nan 0.000 0.491 28 A N 0.016 122.865 122.820 0.049 0.000 1.908 28 A HA 0.207 4.527 4.320 -0.000 0.000 0.218 28 A C 2.690 180.399 177.584 0.208 0.000 1.181 28 A CA 3.051 55.148 52.037 0.100 0.000 0.627 28 A CB -0.792 18.246 19.000 0.064 0.000 0.818 28 A HN 1.862 nan 8.150 nan 0.000 0.445 29 A N -1.445 121.485 122.820 0.183 0.000 2.067 29 A HA 0.086 4.406 4.320 -0.000 0.000 0.219 29 A C 1.736 179.469 177.584 0.249 0.000 1.158 29 A CA 1.580 53.780 52.037 0.272 0.000 0.661 29 A CB -0.286 18.808 19.000 0.157 0.000 0.801 29 A HN 0.591 nan 8.150 nan 0.000 0.452 30 I N -0.907 119.766 120.570 0.172 0.000 4.025 30 I HA 0.184 4.354 4.170 -0.000 0.000 0.336 30 I C 0.985 177.250 176.117 0.247 0.000 1.390 30 I CA -0.079 61.328 61.300 0.178 0.000 1.099 30 I CB -0.312 37.784 38.000 0.160 0.000 1.049 30 I HN 0.063 nan 8.210 nan 0.000 0.394 31 N N 1.850 120.656 118.700 0.176 0.000 2.104 31 N HA -0.101 4.639 4.740 -0.000 0.000 0.190 31 N C -0.911 174.682 175.510 0.139 0.000 1.024 31 N CA 1.683 54.822 53.050 0.148 0.000 0.853 31 N CB -1.332 37.229 38.487 0.124 0.000 1.008 31 N HN 0.280 nan 8.380 nan 0.000 0.424 32 P HA -0.100 nan 4.420 nan 0.000 0.216 32 P C 1.433 178.742 177.300 0.016 0.000 1.150 32 P CA 0.777 63.846 63.100 -0.052 0.000 0.837 32 P CB -0.113 31.439 31.700 -0.245 0.000 0.786 33 F N -1.163 118.763 119.950 -0.039 0.000 2.102 33 F HA -0.239 4.288 4.527 -0.000 0.000 0.298 33 F C 2.184 177.935 175.800 -0.082 0.000 1.105 33 F CA 1.575 59.535 58.000 -0.067 0.000 1.239 33 F CB -0.810 38.153 39.000 -0.062 0.000 0.991 33 F HN -0.169 nan 8.300 nan 0.000 0.474 34 Y N -0.483 119.899 120.300 0.137 0.000 2.207 34 Y HA -0.257 4.293 4.550 -0.000 0.000 0.287 34 Y C 2.987 178.842 175.900 -0.075 0.000 1.156 34 Y CA 1.768 59.876 58.100 0.013 0.000 1.182 34 Y CB -1.099 37.354 38.460 -0.012 0.000 0.979 34 Y HN 0.157 nan 8.280 nan 0.000 0.521 35 S N -0.045 115.698 115.700 0.071 0.000 2.368 35 S HA -0.067 4.403 4.470 -0.000 0.000 0.225 35 S C 1.442 175.992 174.600 -0.082 0.000 1.030 35 S CA 0.467 58.664 58.200 -0.004 0.000 0.999 35 S CB -0.690 62.507 63.200 -0.006 0.000 0.844 35 S HN 0.348 nan 8.310 nan 0.000 0.459 39 K N 0.092 120.460 120.400 -0.053 0.000 2.097 39 K HA -0.191 4.129 4.320 -0.000 0.000 0.206 39 K C 1.657 178.216 176.600 -0.068 0.000 1.049 39 K CA 2.142 58.397 56.287 -0.053 0.000 0.933 39 K CB -0.170 32.298 32.500 -0.052 0.000 0.717 39 K HN 0.261 nan 8.250 nan 0.000 0.442 40 H N -1.037 117.927 119.070 -0.175 0.000 2.415 40 H HA 0.126 4.682 4.556 -0.000 0.000 0.297 40 H C 0.587 175.813 175.328 -0.169 0.000 1.048 40 H CA 1.212 57.127 56.048 -0.221 0.000 1.365 40 H CB 0.213 29.779 29.762 -0.327 0.000 1.421 40 H HN 0.446 nan 8.280 nan 0.000 0.533 41 G N -1.787 107.003 108.800 -0.016 0.000 2.855 41 G HA2 0.073 4.033 3.960 -0.000 0.000 0.352 41 G HA3 0.073 4.033 3.960 -0.000 0.000 0.352 41 G C 0.910 175.825 174.900 0.025 0.000 1.415 41 G CA 0.131 45.216 45.100 -0.026 0.000 0.871 41 G HN 1.330 nan 8.290 nan 0.000 0.543 42 G N -1.818 106.982 108.800 0.000 0.000 2.195 42 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.246 42 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.246 42 G C 0.384 175.275 174.900 -0.014 0.000 0.984 42 G CA 0.823 45.928 45.100 0.007 0.000 0.633 42 G HN 1.621 nan 8.290 nan 0.000 0.525 43 I N 0.974 121.523 120.570 -0.035 0.000 2.406 43 I HA 0.404 4.574 4.170 -0.000 0.000 0.290 43 I C 0.582 176.662 176.117 -0.061 0.000 0.999 43 I CA -0.913 60.347 61.300 -0.067 0.000 1.124 43 I CB 1.768 39.712 38.000 -0.093 0.000 1.289 43 I HN 0.063 nan 8.210 nan 0.000 0.441 44 R N 5.697 126.142 120.500 -0.090 0.000 2.216 44 R HA 0.192 4.532 4.340 -0.000 0.000 0.332 44 R C -0.555 175.646 176.300 -0.165 0.000 1.056 44 R CA -0.373 55.674 56.100 -0.090 0.000 0.901 44 R CB 0.435 30.676 30.300 -0.099 0.000 1.039 44 R HN 0.619 nan 8.270 nan 0.000 0.456 45 H N 6.589 125.560 119.070 -0.165 0.000 2.517 45 H HA 0.188 4.744 4.556 -0.000 0.000 0.317 45 H C -0.562 174.609 175.328 -0.263 0.000 1.080 45 H CA -0.558 55.373 56.048 -0.196 0.000 1.301 45 H CB 0.840 30.574 29.762 -0.046 0.000 1.425 45 H HN 0.428 nan 8.280 nan 0.000 0.471 46 I N 6.808 126.834 120.570 -0.908 0.000 2.321 46 I HA 0.034 4.204 4.170 -0.000 0.000 0.291 46 I C 0.146 175.842 176.117 -0.701 0.000 0.998 46 I CA -0.901 59.817 61.300 -0.970 0.000 1.227 46 I CB 0.945 38.518 38.000 -0.712 0.000 1.368 46 I HN 0.409 nan 8.210 nan 0.000 0.466 47 L N 6.891 127.988 121.223 -0.210 0.000 2.369 47 L HA 0.529 4.869 4.340 -0.000 0.000 0.279 47 L C 0.505 177.457 176.870 0.138 0.000 1.108 47 L CA 0.201 55.152 54.840 0.185 0.000 0.852 47 L CB 0.511 42.830 42.059 0.434 0.000 1.169 47 L HN 0.741 nan 8.230 nan 0.000 0.452 48 A N 5.452 128.328 122.820 0.094 0.000 2.272 48 A HA 0.575 4.895 4.320 -0.000 0.000 0.275 48 A C 0.716 178.361 177.584 0.103 0.000 1.096 48 A CA -0.381 51.706 52.037 0.084 0.000 0.822 48 A CB 0.409 19.439 19.000 0.051 0.000 1.088 48 A HN 0.830 nan 8.150 nan 0.000 0.495 49 R N -0.925 119.629 120.500 0.091 0.000 2.577 49 R HA 0.255 4.595 4.340 -0.000 0.000 0.344 49 R C -0.633 175.724 176.300 0.094 0.000 1.037 49 R CA 0.178 56.324 56.100 0.076 0.000 1.102 49 R CB 0.113 30.455 30.300 0.070 0.000 1.313 49 R HN 0.855 nan 8.270 nan 0.000 0.561 50 H N -1.780 117.287 119.070 -0.005 0.000 3.140 50 H HA 0.066 4.622 4.556 -0.000 0.000 0.336 50 H C 0.533 175.839 175.328 -0.036 0.000 1.142 50 H CA -0.668 55.367 56.048 -0.021 0.000 1.308 50 H CB 1.323 31.068 29.762 -0.028 0.000 1.970 50 H HN -0.180 nan 8.280 nan 0.000 0.521 51 V N 3.362 123.430 119.914 0.256 0.000 2.392 51 V HA -0.227 3.893 4.120 -0.000 0.000 0.249 51 V C 2.207 178.324 176.094 0.037 0.000 1.059 51 V CA 2.437 64.814 62.300 0.129 0.000 1.051 51 V CB -0.373 31.501 31.823 0.085 0.000 0.658 51 V HN 0.812 nan 8.190 nan 0.000 0.455 52 E N 0.210 120.430 120.200 0.034 0.000 2.118 52 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 52 E C 2.277 178.642 176.600 -0.391 0.000 0.992 52 E CA 1.449 57.665 56.400 -0.305 0.000 0.804 52 E CB -0.430 29.000 29.700 -0.449 0.000 0.741 52 E HN 0.613 nan 8.360 nan 0.000 0.458 53 G N 0.713 109.395 108.800 -0.196 0.000 2.446 53 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.217 53 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.217 53 G C 1.658 176.445 174.900 -0.187 0.000 1.168 53 G CA 1.065 46.077 45.100 -0.148 0.000 0.771 53 G HN 0.422 nan 8.290 nan 0.000 0.551 54 A N 0.975 123.724 122.820 -0.119 0.000 1.933 54 A HA -0.019 4.301 4.320 -0.000 0.000 0.218 54 A C 2.718 180.197 177.584 -0.175 0.000 1.175 54 A CA 2.377 54.353 52.037 -0.101 0.000 0.628 54 A CB -0.591 18.416 19.000 0.012 0.000 0.814 54 A HN 0.396 nan 8.150 nan 0.000 0.444 55 S N -0.203 115.372 115.700 -0.207 0.000 2.356 55 S HA -0.083 4.387 4.470 -0.000 0.000 0.223 55 S C 1.090 175.577 174.600 -0.190 0.000 1.032 55 S CA 0.811 58.886 58.200 -0.208 0.000 1.005 55 S CB -0.562 62.462 63.200 -0.293 0.000 0.867 55 S HN 0.705 nan 8.310 nan 0.000 0.449 59 E N 0.507 120.663 120.200 -0.072 0.000 2.051 59 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 59 E C 2.039 178.626 176.600 -0.021 0.000 0.991 59 E CA 1.193 57.613 56.400 0.033 0.000 0.799 59 E CB -0.218 29.590 29.700 0.179 0.000 0.748 59 E HN 0.591 nan 8.360 nan 0.000 0.449 60 G N 0.410 109.075 108.800 -0.225 0.000 2.418 60 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.217 60 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.217 60 G C 1.402 176.233 174.900 -0.114 0.000 1.158 60 G CA 0.867 45.812 45.100 -0.258 0.000 0.771 60 G HN 0.290 nan 8.290 nan 0.000 0.545 61 Y N 1.648 121.842 120.300 -0.176 0.000 2.165 61 Y HA -0.178 4.372 4.550 -0.000 0.000 0.286 61 Y C 3.121 179.023 175.900 0.004 0.000 1.155 61 Y CA 2.308 60.390 58.100 -0.029 0.000 1.164 61 Y CB -0.267 38.275 38.460 0.137 0.000 0.978 61 Y HN 0.201 nan 8.280 nan 0.000 0.513 62 T N 0.311 114.983 114.554 0.197 0.000 2.737 62 T HA -0.154 4.196 4.350 -0.000 0.000 0.265 62 T C 1.754 176.469 174.700 0.026 0.000 1.038 62 T CA 1.797 63.975 62.100 0.130 0.000 1.144 62 T CB -0.191 68.756 68.868 0.132 0.000 0.866 62 T HN 0.317 nan 8.240 nan 0.000 0.434 63 R N 1.011 121.522 120.500 0.018 0.000 2.237 63 R HA 0.176 4.516 4.340 -0.000 0.000 0.219 63 R C 2.588 178.867 176.300 -0.034 0.000 1.080 63 R CA 0.782 56.888 56.100 0.011 0.000 0.995 63 R CB -0.274 30.056 30.300 0.050 0.000 0.875 63 R HN 0.315 nan 8.270 nan 0.000 0.462 64 A N 0.415 123.178 122.820 -0.095 0.000 1.898 64 A HA -0.032 4.288 4.320 -0.000 0.000 0.216 64 A C 0.780 178.303 177.584 -0.102 0.000 1.181 64 A CA 1.216 53.174 52.037 -0.132 0.000 0.620 64 A CB 0.202 19.075 19.000 -0.211 0.000 0.819 64 A HN 0.210 nan 8.150 nan 0.000 0.442 65 T N -2.542 111.946 114.554 -0.110 0.000 2.933 65 T HA 0.545 4.895 4.350 -0.000 0.000 0.305 65 T C 0.938 175.615 174.700 -0.038 0.000 1.092 65 T CA -0.148 61.907 62.100 -0.074 0.000 1.008 65 T CB 1.804 70.607 68.868 -0.109 0.000 1.102 65 T HN 0.411 nan 8.240 nan 0.000 0.469 66 A N 1.841 124.655 122.820 -0.011 0.000 1.892 66 A HA 0.036 4.356 4.320 -0.000 0.000 0.218 66 A C 2.176 179.773 177.584 0.023 0.000 1.188 66 A CA 2.236 54.279 52.037 0.009 0.000 0.631 66 A CB -1.164 17.843 19.000 0.012 0.000 0.822 66 A HN 0.989 nan 8.150 nan 0.000 0.447 67 G N -1.029 107.787 108.800 0.027 0.000 2.985 67 G HA2 0.108 4.068 3.960 -0.000 0.000 0.209 67 G HA3 0.108 4.068 3.960 -0.000 0.000 0.209 67 G C 0.220 175.173 174.900 0.089 0.000 1.165 67 G CA -0.196 44.938 45.100 0.056 0.000 0.776 67 G HN 0.437 nan 8.290 nan 0.000 0.541 68 N N 0.682 119.423 118.700 0.068 0.000 2.513 68 N HA 0.305 5.045 4.740 -0.000 0.000 0.268 68 N C -0.378 175.263 175.510 0.218 0.000 1.180 68 N CA 0.207 53.337 53.050 0.133 0.000 0.948 68 N CB 1.245 39.698 38.487 -0.057 0.000 1.083 68 N HN 0.013 nan 8.380 nan 0.000 0.455 69 I N 1.077 121.841 120.570 0.324 0.000 2.466 69 I HA 0.280 4.450 4.170 -0.000 0.000 0.279 69 I C 0.752 177.021 176.117 0.253 0.000 1.033 69 I CA -0.841 60.614 61.300 0.258 0.000 1.123 69 I CB 1.316 39.454 38.000 0.229 0.000 1.237 69 I HN 0.423 nan 8.210 nan 0.000 0.460 70 G N 5.461 114.424 108.800 0.271 0.000 2.441 70 G HA2 0.403 4.363 3.960 -0.000 0.000 0.243 70 G HA3 0.403 4.363 3.960 -0.000 0.000 0.243 70 G C -0.361 174.561 174.900 0.037 0.000 1.281 70 G CA -0.071 45.106 45.100 0.128 0.000 0.854 70 G HN 0.340 nan 8.290 nan 0.000 0.560 71 V N 1.695 121.599 119.914 -0.017 0.000 2.495 71 V HA 0.440 4.560 4.120 -0.000 0.000 0.298 71 V C -0.172 175.938 176.094 0.027 0.000 1.031 71 V CA -0.887 61.396 62.300 -0.028 0.000 0.871 71 V CB 1.587 33.366 31.823 -0.073 0.000 0.988 71 V HN 0.908 nan 8.190 nan 0.000 0.432 72 C N 7.115 126.411 119.300 -0.007 0.000 2.340 72 C HA 0.810 5.270 4.460 -0.000 0.000 0.323 72 C C -0.819 174.148 174.990 -0.038 0.000 1.260 72 C CA -0.477 58.546 59.018 0.008 0.000 1.464 72 C CB 0.032 27.765 27.740 -0.011 0.000 2.156 72 C HN 0.777 nan 8.230 nan 0.000 0.476 73 L N 5.639 126.867 121.223 0.008 0.000 2.341 73 L HA 0.917 5.256 4.340 -0.000 0.000 0.278 73 L C 0.604 177.526 176.870 0.087 0.000 1.005 73 L CA 0.536 55.374 54.840 -0.004 0.000 0.818 73 L CB 1.830 43.908 42.059 0.032 0.000 1.259 73 L HN 0.950 nan 8.230 nan 0.000 0.418 74 G N 0.317 109.140 108.800 0.038 0.000 2.682 74 G HA2 0.523 4.483 3.960 -0.000 0.000 0.290 74 G HA3 0.523 4.483 3.960 -0.000 0.000 0.290 74 G C -1.079 173.840 174.900 0.031 0.000 1.425 74 G CA -0.311 44.818 45.100 0.049 0.000 0.807 74 G HN 0.465 nan 8.290 nan 0.000 0.482 75 T N -0.830 113.736 114.554 0.021 0.000 2.865 75 T HA 0.572 4.922 4.350 -0.000 0.000 0.302 75 T C 1.531 176.229 174.700 -0.003 0.000 1.078 75 T CA 0.552 62.663 62.100 0.018 0.000 0.942 75 T CB 0.275 69.152 68.868 0.016 0.000 1.387 75 T HN 1.206 nan 8.240 nan 0.000 0.557 76 S N -0.838 114.859 115.700 -0.004 0.000 2.641 76 S HA 0.587 5.057 4.470 -0.000 0.000 0.261 76 S C 1.265 175.822 174.600 -0.071 0.000 1.257 76 S CA 0.027 58.208 58.200 -0.031 0.000 0.983 76 S CB -0.066 63.119 63.200 -0.024 0.000 0.990 76 S HN 1.613 nan 8.310 nan 0.000 0.572 77 G N 1.313 110.059 108.800 -0.091 0.000 2.602 77 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.310 77 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.310 77 G C -1.318 173.528 174.900 -0.090 0.000 1.183 77 G CA 0.244 45.270 45.100 -0.123 0.000 0.979 77 G HN 0.774 nan 8.290 nan 0.000 0.545 78 P HA 0.154 nan 4.420 nan 0.000 0.233 78 P C 1.774 179.052 177.300 -0.037 0.000 1.167 78 P CA 2.273 65.335 63.100 -0.064 0.000 0.770 78 P CB -0.264 31.392 31.700 -0.074 0.000 0.837 79 A N 0.933 123.730 122.820 -0.038 0.000 1.898 79 A HA -0.028 4.292 4.320 -0.000 0.000 0.216 79 A C 2.576 180.152 177.584 -0.014 0.000 1.181 79 A CA 1.935 53.961 52.037 -0.017 0.000 0.620 79 A CB -1.882 17.109 19.000 -0.014 0.000 0.819 79 A HN 0.286 nan 8.150 nan 0.000 0.442 80 G N -0.514 108.271 108.800 -0.025 0.000 2.408 80 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.217 80 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.217 80 G C 1.691 176.582 174.900 -0.015 0.000 1.150 80 G CA 1.929 47.015 45.100 -0.023 0.000 0.776 80 G HN 0.697 nan 8.290 nan 0.000 0.542 81 T N -1.578 112.967 114.554 -0.015 0.000 3.035 81 T HA 0.060 4.410 4.350 -0.000 0.000 0.268 81 T C 0.745 175.453 174.700 0.012 0.000 1.109 81 T CA 0.621 62.718 62.100 -0.005 0.000 1.119 81 T CB 0.005 68.866 68.868 -0.012 0.000 0.900 81 T HN 0.077 nan 8.240 nan 0.000 0.503 85 T N 2.187 116.825 114.554 0.141 0.000 2.720 85 T HA -0.080 4.270 4.350 -0.000 0.000 0.268 85 T C 1.919 176.797 174.700 0.296 0.000 1.037 85 T CA 2.195 64.442 62.100 0.245 0.000 1.144 85 T CB -0.068 68.945 68.868 0.242 0.000 0.864 85 T HN 0.433 nan 8.240 nan 0.000 0.444 86 A N 0.946 123.915 122.820 0.249 0.000 1.897 86 A HA 0.129 4.449 4.320 -0.000 0.000 0.215 86 A C 2.292 179.978 177.584 0.170 0.000 1.181 86 A CA 0.879 53.088 52.037 0.286 0.000 0.620 86 A CB -0.733 18.349 19.000 0.136 0.000 0.821 86 A HN 0.451 nan 8.150 nan 0.000 0.443 87 L N -1.620 119.679 121.223 0.127 0.000 2.042 87 L HA -0.221 4.119 4.340 -0.000 0.000 0.210 87 L C 2.619 179.574 176.870 0.143 0.000 1.076 87 L CA 1.835 56.737 54.840 0.103 0.000 0.749 87 L CB -0.663 41.443 42.059 0.077 0.000 0.893 87 L HN 0.615 nan 8.230 nan 0.000 0.432 88 Y N 0.262 120.583 120.300 0.036 0.000 2.114 88 Y HA -0.304 4.246 4.550 -0.000 0.000 0.284 88 Y C 2.934 178.838 175.900 0.007 0.000 1.143 88 Y CA 1.483 59.594 58.100 0.018 0.000 1.135 88 Y CB -0.781 37.690 38.460 0.017 0.000 0.980 88 Y HN 0.118 nan 8.280 nan 0.000 0.499 89 S N 0.112 115.677 115.700 -0.226 0.000 2.365 89 S HA -0.238 4.232 4.470 -0.000 0.000 0.225 89 S C 2.278 176.764 174.600 -0.189 0.000 1.039 89 S CA 1.810 59.801 58.200 -0.348 0.000 1.033 89 S CB -0.955 62.137 63.200 -0.180 0.000 0.887 89 S HN 0.668 nan 8.310 nan 0.000 0.447 90 A N 0.510 123.309 122.820 -0.036 0.000 1.873 90 A HA 0.028 4.348 4.320 -0.000 0.000 0.215 90 A C 2.456 180.028 177.584 -0.019 0.000 1.186 90 A CA 1.915 53.952 52.037 0.001 0.000 0.616 90 A CB -1.223 17.806 19.000 0.048 0.000 0.823 90 A HN 0.564 nan 8.150 nan 0.000 0.442 91 S N -0.016 115.683 115.700 -0.001 0.000 2.359 91 S HA -0.146 4.324 4.470 -0.000 0.000 0.223 91 S C 2.338 176.926 174.600 -0.019 0.000 1.039 91 S CA 1.451 59.659 58.200 0.014 0.000 1.042 91 S CB -0.573 62.670 63.200 0.072 0.000 0.915 91 S HN 0.824 nan 8.310 nan 0.000 0.439 92 A N 1.447 124.220 122.820 -0.078 0.000 1.940 92 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 92 A C 1.430 178.947 177.584 -0.111 0.000 1.176 92 A CA 1.728 53.693 52.037 -0.120 0.000 0.631 92 A CB -0.384 18.419 19.000 -0.328 0.000 0.814 92 A HN 0.388 nan 8.150 nan 0.000 0.446 93 D N -0.536 119.792 120.400 -0.119 0.000 2.388 93 D HA 0.232 4.872 4.640 -0.000 0.000 0.221 93 D C 0.082 176.353 176.300 -0.049 0.000 1.133 93 D CA 0.636 54.581 54.000 -0.093 0.000 0.831 93 D CB 0.125 40.855 40.800 -0.117 0.000 0.962 93 D HN 0.221 nan 8.370 nan 0.000 0.502 94 S N 0.320 115.999 115.700 -0.035 0.000 3.682 94 S HA -0.166 4.304 4.470 -0.000 0.000 0.354 94 S C 0.160 174.755 174.600 -0.008 0.000 1.034 94 S CA 0.322 58.511 58.200 -0.018 0.000 1.084 94 S CB -1.130 62.057 63.200 -0.021 0.000 0.903 94 S HN 0.368 nan 8.310 nan 0.000 0.470 95 I N 1.909 122.478 120.570 -0.001 0.000 2.608 95 I HA 0.477 4.647 4.170 -0.000 0.000 0.295 95 I C -2.371 173.758 176.117 0.021 0.000 1.049 95 I CA -2.087 59.222 61.300 0.015 0.000 1.063 95 I CB 2.371 40.386 38.000 0.025 0.000 1.248 95 I HN -0.104 nan 8.210 nan 0.000 0.424 96 P HA 0.511 nan 4.420 nan 0.000 0.292 96 P C -1.126 176.193 177.300 0.031 0.000 1.283 96 P CA -0.375 62.735 63.100 0.018 0.000 0.835 96 P CB 1.737 33.444 31.700 0.011 0.000 1.017 97 I N -0.091 120.486 120.570 0.013 0.000 2.934 97 I HA 0.627 4.797 4.170 -0.000 0.000 0.306 97 I C -1.304 174.786 176.117 -0.045 0.000 1.110 97 I CA -1.688 59.617 61.300 0.008 0.000 1.019 97 I CB 2.303 40.318 38.000 0.025 0.000 1.227 97 I HN 0.049 nan 8.210 nan 0.000 0.434 98 L N 4.673 125.855 121.223 -0.068 0.000 2.294 98 L HA 0.554 4.894 4.340 -0.000 0.000 0.283 98 L C -0.930 175.885 176.870 -0.092 0.000 1.015 98 L CA -0.066 54.701 54.840 -0.122 0.000 0.831 98 L CB 0.783 42.721 42.059 -0.203 0.000 1.217 98 L HN 0.806 nan 8.230 nan 0.000 0.420 99 C N 5.951 125.199 119.300 -0.086 0.000 2.330 99 C HA 0.592 5.052 4.460 -0.000 0.000 0.344 99 C C 0.277 175.196 174.990 -0.118 0.000 1.273 99 C CA -0.742 58.225 59.018 -0.084 0.000 1.879 99 C CB -0.102 27.604 27.740 -0.056 0.000 2.376 99 C HN 0.671 nan 8.230 nan 0.000 0.534 100 I N 3.757 124.230 120.570 -0.162 0.000 2.418 100 I HA 0.402 4.572 4.170 -0.000 0.000 0.287 100 I C 0.244 176.243 176.117 -0.197 0.000 1.008 100 I CA 0.136 61.297 61.300 -0.232 0.000 1.104 100 I CB 1.879 39.614 38.000 -0.441 0.000 1.264 100 I HN 0.720 nan 8.210 nan 0.000 0.438 101 T N 1.787 116.259 114.554 -0.137 0.000 2.885 101 T HA 0.690 5.040 4.350 -0.000 0.000 0.285 101 T C 0.233 174.896 174.700 -0.063 0.000 1.019 101 T CA -0.787 61.263 62.100 -0.084 0.000 1.010 101 T CB 1.874 70.711 68.868 -0.052 0.000 1.022 101 T HN 0.616 nan 8.240 nan 0.000 0.466 102 G N 0.455 109.243 108.800 -0.020 0.000 2.634 102 G HA2 0.511 4.471 3.960 -0.000 0.000 0.255 102 G HA3 0.511 4.471 3.960 -0.000 0.000 0.255 102 G C -0.708 174.209 174.900 0.028 0.000 1.205 102 G CA -0.330 44.787 45.100 0.028 0.000 0.884 102 G HN 0.908 nan 8.290 nan 0.000 0.549 103 Q N -1.496 118.342 119.800 0.064 0.000 2.527 103 Q HA 0.563 4.903 4.340 -0.000 0.000 0.280 103 Q C -0.346 175.706 176.000 0.086 0.000 0.977 103 Q CA -0.266 55.563 55.803 0.044 0.000 0.837 103 Q CB 1.323 30.071 28.738 0.016 0.000 1.454 103 Q HN 1.058 nan 8.270 nan 0.000 0.387 104 A N 3.127 125.974 122.820 0.045 0.000 2.448 104 A HA 0.580 4.900 4.320 -0.000 0.000 0.239 104 A C -2.226 175.396 177.584 0.063 0.000 1.080 104 A CA -0.729 51.335 52.037 0.046 0.000 0.779 104 A CB -0.586 18.418 19.000 0.007 0.000 1.026 104 A HN 0.621 nan 8.150 nan 0.000 0.499 105 P HA 0.113 nan 4.420 nan 0.000 0.268 105 P C 0.322 177.648 177.300 0.043 0.000 1.208 105 P CA -0.025 63.125 63.100 0.084 0.000 0.777 105 P CB 0.388 32.130 31.700 0.070 0.000 0.875 106 R N 2.276 122.804 120.500 0.047 0.000 2.105 106 R HA -0.145 4.195 4.340 -0.000 0.000 0.239 106 R C 2.150 178.470 176.300 0.033 0.000 1.135 106 R CA 2.024 58.142 56.100 0.031 0.000 0.967 106 R CB -1.240 29.084 30.300 0.041 0.000 0.861 106 R HN 0.510 nan 8.270 nan 0.000 0.442 107 A N 0.690 123.534 122.820 0.040 0.000 2.125 107 A HA -0.121 4.199 4.320 -0.000 0.000 0.219 107 A C 1.649 179.256 177.584 0.039 0.000 1.156 107 A CA 1.251 53.313 52.037 0.043 0.000 0.671 107 A CB -0.150 18.872 19.000 0.037 0.000 0.794 107 A HN 0.219 nan 8.150 nan 0.000 0.459 108 R N -1.152 119.361 120.500 0.021 0.000 2.543 108 R HA 0.383 4.723 4.340 -0.000 0.000 0.323 108 R C 0.936 177.222 176.300 -0.023 0.000 1.002 108 R CA -0.201 55.906 56.100 0.011 0.000 1.106 108 R CB 0.075 30.380 30.300 0.008 0.000 1.280 108 R HN 0.406 nan 8.270 nan 0.000 0.549 109 L N -0.351 120.829 121.223 -0.071 0.000 2.265 109 L HA -0.144 4.196 4.340 -0.000 0.000 0.215 109 L C 1.072 177.728 176.870 -0.357 0.000 1.117 109 L CA 1.529 56.238 54.840 -0.218 0.000 0.782 109 L CB -0.150 41.729 42.059 -0.301 0.000 0.914 109 L HN 0.349 nan 8.230 nan 0.000 0.441 110 H N -1.809 117.267 119.070 0.009 0.000 2.755 110 H HA 0.165 4.721 4.556 -0.000 0.000 0.273 110 H C 0.197 175.529 175.328 0.006 0.000 1.055 110 H CA -0.391 55.661 56.048 0.006 0.000 1.191 110 H CB 0.512 30.277 29.762 0.006 0.000 1.536 110 H HN 0.015 nan 8.280 nan 0.000 0.529 111 K N 1.194 121.643 120.400 0.082 0.000 2.126 111 K HA 0.108 4.428 4.320 -0.000 0.000 0.257 111 K C -0.023 176.594 176.600 0.029 0.000 1.007 111 K CA -0.159 56.158 56.287 0.051 0.000 0.928 111 K CB 1.031 33.553 32.500 0.037 0.000 1.013 111 K HN 0.340 nan 8.250 nan 0.000 0.473 112 E N 1.604 121.820 120.200 0.028 0.000 2.148 112 E HA 0.005 4.355 4.350 -0.000 0.000 0.308 112 E C -0.825 175.790 176.600 0.025 0.000 1.278 112 E CA -0.115 56.295 56.400 0.018 0.000 1.368 112 E CB -0.076 29.636 29.700 0.020 0.000 1.229 112 E HN 0.312 nan 8.360 nan 0.000 0.494 113 D N 0.731 121.141 120.400 0.017 0.000 2.414 113 D HA -0.042 4.598 4.640 -0.000 0.000 0.242 113 D C -0.437 175.902 176.300 0.065 0.000 1.129 113 D CA -0.180 53.846 54.000 0.043 0.000 0.885 113 D CB 0.413 41.225 40.800 0.020 0.000 1.198 113 D HN 0.133 nan 8.370 nan 0.000 0.437 114 F N 3.042 122.971 119.950 -0.035 0.000 2.604 114 F HA -0.089 4.438 4.527 -0.000 0.000 0.393 114 F C 1.019 176.800 175.800 -0.032 0.000 1.043 114 F CA 0.619 58.599 58.000 -0.033 0.000 1.227 114 F CB 0.026 39.002 39.000 -0.039 0.000 1.016 114 F HN 0.550 nan 8.300 nan 0.000 0.556 115 Q N 2.391 121.764 119.800 -0.711 0.000 2.481 115 Q HA -0.233 4.107 4.340 -0.000 0.000 0.272 115 Q C -0.557 175.298 176.000 -0.241 0.000 1.157 115 Q CA 0.598 56.063 55.803 -0.563 0.000 0.935 115 Q CB -1.616 26.695 28.738 -0.712 0.000 1.338 115 Q HN 0.780 nan 8.270 nan 0.000 0.494 116 A N 0.451 123.175 122.820 -0.160 0.000 2.258 116 A HA 0.709 5.029 4.320 -0.000 0.000 0.316 116 A C -0.499 177.029 177.584 -0.094 0.000 1.279 116 A CA -0.298 51.680 52.037 -0.099 0.000 0.876 116 A CB 1.591 20.548 19.000 -0.071 0.000 1.170 116 A HN 0.198 nan 8.150 nan 0.000 0.520 117 V N 2.047 121.911 119.914 -0.084 0.000 2.962 117 V HA 0.453 4.573 4.120 -0.000 0.000 0.313 117 V C -0.910 175.148 176.094 -0.060 0.000 1.099 117 V CA -0.636 61.623 62.300 -0.068 0.000 0.971 117 V CB 2.220 34.003 31.823 -0.066 0.000 1.028 117 V HN 0.886 nan 8.190 nan 0.000 0.430 118 D N 4.071 124.443 120.400 -0.046 0.000 2.608 118 D HA 0.076 4.716 4.640 -0.000 0.000 0.224 118 D C 0.972 177.257 176.300 -0.025 0.000 1.123 118 D CA 0.019 53.998 54.000 -0.035 0.000 1.030 118 D CB 0.174 40.966 40.800 -0.014 0.000 1.093 118 D HN 0.494 nan 8.370 nan 0.000 0.497 119 I N 1.645 122.197 120.570 -0.030 0.000 2.361 119 I HA -0.164 4.006 4.170 -0.000 0.000 0.251 119 I C 1.924 178.031 176.117 -0.016 0.000 1.133 119 I CA 1.294 62.580 61.300 -0.024 0.000 1.413 119 I CB -0.070 37.913 38.000 -0.029 0.000 1.073 119 I HN 0.383 nan 8.210 nan 0.000 0.424 120 E N 0.392 120.583 120.200 -0.014 0.000 2.049 120 E HA -0.291 4.059 4.350 -0.000 0.000 0.198 120 E C 2.209 178.808 176.600 -0.002 0.000 1.007 120 E CA 1.576 57.972 56.400 -0.006 0.000 0.809 120 E CB -0.252 29.446 29.700 -0.002 0.000 0.749 120 E HN 0.597 nan 8.360 nan 0.000 0.450 121 A N 0.552 123.372 122.820 -0.000 0.000 1.930 121 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 121 A C 2.136 179.718 177.584 -0.003 0.000 1.175 121 A CA 1.108 53.146 52.037 0.002 0.000 0.627 121 A CB -0.482 18.521 19.000 0.006 0.000 0.815 121 A HN 0.318 nan 8.150 nan 0.000 0.443 122 I N -0.458 120.108 120.570 -0.007 0.000 2.315 122 I HA -0.219 3.951 4.170 -0.000 0.000 0.248 122 I C 2.718 178.830 176.117 -0.008 0.000 1.117 122 I CA 1.140 62.434 61.300 -0.010 0.000 1.404 122 I CB -0.141 37.852 38.000 -0.013 0.000 1.071 122 I HN 0.341 nan 8.210 nan 0.000 0.419 123 A N -0.058 122.760 122.820 -0.004 0.000 2.132 123 A HA -0.077 4.243 4.320 -0.000 0.000 0.213 123 A C 2.152 179.739 177.584 0.005 0.000 1.154 123 A CA 0.585 52.623 52.037 0.002 0.000 0.753 123 A CB -0.202 18.798 19.000 -0.000 0.000 0.826 123 A HN 0.174 nan 8.150 nan 0.000 0.469 124 K N 0.641 121.043 120.400 0.003 0.000 2.034 124 K HA -0.153 4.167 4.320 -0.000 0.000 0.214 124 K C -1.092 175.513 176.600 0.008 0.000 1.051 124 K CA 2.274 58.565 56.287 0.006 0.000 0.931 124 K CB -0.866 31.636 32.500 0.004 0.000 0.715 124 K HN 0.384 nan 8.250 nan 0.000 0.446 125 P HA -0.072 nan 4.420 nan 0.000 0.230 125 P C -0.040 177.269 177.300 0.015 0.000 1.158 125 P CA 0.893 63.993 63.100 0.001 0.000 0.769 125 P CB 0.233 31.923 31.700 -0.017 0.000 0.807 126 V N -4.242 115.689 119.914 0.028 0.000 2.909 126 V HA 0.481 4.601 4.120 -0.000 0.000 0.362 126 V C -0.196 175.937 176.094 0.064 0.000 1.356 126 V CA -0.370 61.971 62.300 0.069 0.000 1.195 126 V CB -0.405 31.476 31.823 0.095 0.000 1.256 126 V HN 0.068 nan 8.190 nan 0.000 0.567 127 S N -1.454 114.270 115.700 0.039 0.000 2.550 127 S HA 0.620 5.090 4.470 -0.000 0.000 0.270 127 S C -0.662 173.950 174.600 0.020 0.000 1.145 127 S CA -1.027 57.189 58.200 0.027 0.000 0.852 127 S CB 2.097 65.306 63.200 0.016 0.000 1.119 127 S HN 0.328 nan 8.310 nan 0.000 0.465 131 V N 2.145 122.056 119.914 -0.005 0.000 2.808 131 V HA 0.789 4.908 4.120 -0.000 0.000 0.308 131 V C -0.414 175.677 176.094 -0.004 0.000 1.099 131 V CA -0.110 62.190 62.300 0.000 0.000 0.920 131 V CB 2.375 34.203 31.823 0.008 0.000 1.014 131 V HN 1.047 nan 8.190 nan 0.000 0.425 132 T N 5.806 120.360 114.554 -0.000 0.000 2.728 132 T HA 0.399 4.749 4.350 -0.000 0.000 0.296 132 T C -0.196 174.508 174.700 0.007 0.000 0.940 132 T CA -0.101 61.998 62.100 -0.001 0.000 1.013 132 T CB 0.980 69.846 68.868 -0.004 0.000 0.912 132 T HN 0.565 nan 8.240 nan 0.000 0.484 133 V N 6.194 126.111 119.914 0.006 0.000 2.439 133 V HA 0.145 4.265 4.120 -0.000 0.000 0.271 133 V C 1.477 177.581 176.094 0.016 0.000 1.040 133 V CA -0.180 62.127 62.300 0.012 0.000 1.002 133 V CB 0.563 32.391 31.823 0.009 0.000 1.000 133 V HN 0.764 nan 8.190 nan 0.000 0.477 134 R N 2.408 122.921 120.500 0.021 0.000 2.280 134 R HA 0.234 4.574 4.340 -0.000 0.000 0.195 134 R C 0.090 176.405 176.300 0.025 0.000 0.935 134 R CA 0.181 56.296 56.100 0.025 0.000 1.033 134 R CB 0.446 30.763 30.300 0.028 0.000 0.964 134 R HN 0.657 nan 8.270 nan 0.000 0.489 135 E N -0.826 119.388 120.200 0.023 0.000 2.314 135 E HA 0.378 4.728 4.350 -0.000 0.000 0.272 135 E C 0.017 176.626 176.600 0.015 0.000 0.884 135 E CA -0.421 55.992 56.400 0.022 0.000 0.753 135 E CB 1.809 31.524 29.700 0.025 0.000 1.213 135 E HN -0.130 nan 8.360 nan 0.000 0.432 136 A N 2.054 124.881 122.820 0.011 0.000 1.892 136 A HA -0.199 4.121 4.320 -0.000 0.000 0.218 136 A C 1.944 179.524 177.584 -0.006 0.000 1.188 136 A CA 2.527 54.563 52.037 -0.002 0.000 0.631 136 A CB -0.624 18.375 19.000 -0.002 0.000 0.822 136 A HN 0.634 nan 8.150 nan 0.000 0.447 137 A N -0.831 121.997 122.820 0.013 0.000 2.121 137 A HA 0.105 4.425 4.320 -0.000 0.000 0.218 137 A C 1.946 179.550 177.584 0.033 0.000 1.154 137 A CA 1.243 53.297 52.037 0.029 0.000 0.679 137 A CB -0.501 18.529 19.000 0.050 0.000 0.795 137 A HN 0.490 nan 8.150 nan 0.000 0.458 138 L N -0.905 120.333 121.223 0.025 0.000 2.492 138 L HA -0.031 4.309 4.340 -0.000 0.000 0.223 138 L C 2.163 179.044 176.870 0.018 0.000 1.132 138 L CA -0.017 54.843 54.840 0.032 0.000 0.850 138 L CB -0.239 41.840 42.059 0.032 0.000 0.966 138 L HN 0.189 nan 8.230 nan 0.000 0.454 139 V N 1.236 121.144 119.914 -0.011 0.000 2.231 139 V HA -0.196 3.924 4.120 -0.000 0.000 0.248 139 V C -0.020 176.050 176.094 -0.041 0.000 1.054 139 V CA 2.289 64.574 62.300 -0.025 0.000 1.015 139 V CB -1.657 30.138 31.823 -0.047 0.000 0.638 139 V HN 0.396 nan 8.190 nan 0.000 0.444 140 P HA -0.138 nan 4.420 nan 0.000 0.220 140 P C 1.390 178.729 177.300 0.065 0.000 1.148 140 P CA 1.249 64.265 63.100 -0.140 0.000 0.803 140 P CB -0.132 31.318 31.700 -0.418 0.000 0.782 141 R N -0.248 120.312 120.500 0.099 0.000 2.093 141 R HA 0.030 4.370 4.340 -0.000 0.000 0.224 141 R C 2.354 178.732 176.300 0.130 0.000 1.101 141 R CA 0.676 56.865 56.100 0.149 0.000 0.979 141 R CB -1.648 28.722 30.300 0.118 0.000 0.877 141 R HN 0.166 nan 8.270 nan 0.000 0.441 142 V N 1.836 121.804 119.914 0.089 0.000 2.358 142 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 142 V C 2.483 178.637 176.094 0.100 0.000 1.047 142 V CA 1.424 63.770 62.300 0.077 0.000 1.035 142 V CB -0.463 31.385 31.823 0.043 0.000 0.658 142 V HN 0.164 nan 8.190 nan 0.000 0.452 143 L N -0.479 120.817 121.223 0.121 0.000 2.046 143 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 143 L C 2.634 179.729 176.870 0.375 0.000 1.077 143 L CA 1.927 56.886 54.840 0.198 0.000 0.747 143 L CB -0.674 41.506 42.059 0.202 0.000 0.896 143 L HN 0.373 nan 8.230 nan 0.000 0.432 144 Q N -0.003 120.008 119.800 0.352 0.000 2.077 144 Q HA -0.329 4.011 4.340 -0.000 0.000 0.206 144 Q C 2.267 178.465 176.000 0.329 0.000 0.989 144 Q CA 2.225 58.283 55.803 0.425 0.000 0.853 144 Q CB -0.032 28.955 28.738 0.414 0.000 0.907 144 Q HN 0.351 nan 8.270 nan 0.000 0.418 145 Q N -0.289 119.648 119.800 0.227 0.000 2.167 145 Q HA -0.083 4.257 4.340 -0.000 0.000 0.202 145 Q C 1.718 177.838 176.000 0.199 0.000 0.970 145 Q CA 1.612 57.527 55.803 0.187 0.000 0.855 145 Q CB -0.324 28.487 28.738 0.121 0.000 0.911 145 Q HN 0.471 nan 8.270 nan 0.000 0.438 146 A N -0.591 122.313 122.820 0.140 0.000 1.902 146 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 146 A C 1.790 179.361 177.584 -0.021 0.000 1.181 146 A CA 1.350 53.392 52.037 0.008 0.000 0.623 146 A CB -0.878 18.052 19.000 -0.117 0.000 0.818 146 A HN 0.481 nan 8.150 nan 0.000 0.443 147 F N -0.825 119.200 119.950 0.126 0.000 2.234 147 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 147 F C 2.319 178.199 175.800 0.134 0.000 1.087 147 F CA 1.469 59.542 58.000 0.122 0.000 1.340 147 F CB -0.460 38.626 39.000 0.142 0.000 1.031 147 F HN 0.475 nan 8.300 nan 0.000 0.500 148 H N 0.778 119.992 119.070 0.241 0.000 2.293 148 H HA -0.077 4.479 4.556 -0.000 0.000 0.300 148 H C 1.204 176.605 175.328 0.122 0.000 1.082 148 H CA 0.986 57.131 56.048 0.161 0.000 1.308 148 H CB -0.437 29.401 29.762 0.127 0.000 1.375 148 H HN 0.103 nan 8.280 nan 0.000 0.495 152 S N 0.342 115.983 115.700 -0.098 0.000 2.632 152 S HA 0.571 5.041 4.470 -0.000 0.000 0.271 152 S C 0.792 175.370 174.600 -0.036 0.000 1.260 152 S CA 0.272 58.411 58.200 -0.101 0.000 1.010 152 S CB 1.512 64.550 63.200 -0.270 0.000 0.965 152 S HN 0.527 nan 8.310 nan 0.000 0.534 153 G N 2.164 110.958 108.800 -0.010 0.000 2.634 153 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.309 153 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.309 153 G C 0.014 174.901 174.900 -0.021 0.000 1.265 153 G CA 0.458 45.564 45.100 0.010 0.000 0.998 153 G HN 0.811 nan 8.290 nan 0.000 0.551 154 R N 1.995 122.496 120.500 0.002 0.000 2.288 154 R HA 0.427 4.767 4.340 -0.000 0.000 0.330 154 R C -2.207 174.089 176.300 -0.007 0.000 1.069 154 R CA -1.186 54.910 56.100 -0.008 0.000 0.941 154 R CB 0.441 30.741 30.300 0.001 0.000 0.998 154 R HN 0.267 nan 8.270 nan 0.000 0.452 155 P HA 0.206 nan 4.420 nan 0.000 0.271 155 P C -0.638 176.660 177.300 -0.003 0.000 1.218 155 P CA -0.167 62.929 63.100 -0.008 0.000 0.780 155 P CB 1.353 33.052 31.700 -0.003 0.000 0.901 156 G N 1.347 110.146 108.800 -0.003 0.000 2.608 156 G HA2 0.576 4.536 3.960 -0.000 0.000 0.291 156 G HA3 0.576 4.536 3.960 -0.000 0.000 0.291 156 G C -3.266 171.631 174.900 -0.005 0.000 1.425 156 G CA -1.152 43.949 45.100 0.001 0.000 0.787 156 G HN 0.252 nan 8.290 nan 0.000 0.484 157 P HA 0.595 nan 4.420 nan 0.000 0.278 157 P C -0.828 176.458 177.300 -0.023 0.000 1.258 157 P CA -0.518 62.576 63.100 -0.011 0.000 0.811 157 P CB 2.142 33.848 31.700 0.009 0.000 1.063 158 V N 2.014 121.899 119.914 -0.049 0.000 2.789 158 V HA 0.404 4.524 4.120 -0.000 0.000 0.311 158 V C -0.103 175.955 176.094 -0.059 0.000 1.073 158 V CA -0.824 61.443 62.300 -0.055 0.000 0.921 158 V CB 2.117 33.889 31.823 -0.085 0.000 1.009 158 V HN 0.451 nan 8.190 nan 0.000 0.426 159 L N 4.704 125.900 121.223 -0.044 0.000 2.333 159 L HA 0.774 5.114 4.340 -0.000 0.000 0.280 159 L C -1.169 175.671 176.870 -0.049 0.000 1.004 159 L CA -0.418 54.393 54.840 -0.048 0.000 0.820 159 L CB 1.745 43.785 42.059 -0.031 0.000 1.247 159 L HN 0.481 nan 8.230 nan 0.000 0.416 160 V N 3.645 123.519 119.914 -0.066 0.000 2.409 160 V HA 0.350 4.470 4.120 -0.000 0.000 0.291 160 V C -0.855 175.201 176.094 -0.064 0.000 1.020 160 V CA -0.521 61.744 62.300 -0.058 0.000 0.848 160 V CB 1.650 33.434 31.823 -0.064 0.000 0.990 160 V HN 0.683 nan 8.190 nan 0.000 0.430 161 D N 4.705 125.080 120.400 -0.041 0.000 2.349 161 D HA 0.504 5.144 4.640 -0.000 0.000 0.232 161 D C -0.754 175.532 176.300 -0.022 0.000 1.071 161 D CA -0.162 53.816 54.000 -0.036 0.000 0.832 161 D CB 1.225 42.009 40.800 -0.027 0.000 1.086 161 D HN 0.413 nan 8.370 nan 0.000 0.504 162 L N 5.867 127.077 121.223 -0.021 0.000 2.301 162 L HA 0.425 4.765 4.340 -0.000 0.000 0.278 162 L C -2.164 174.721 176.870 0.026 0.000 1.022 162 L CA -2.006 52.833 54.840 -0.001 0.000 0.854 162 L CB 1.641 43.696 42.059 -0.006 0.000 1.226 162 L HN 0.223 nan 8.230 nan 0.000 0.429 163 P HA -0.036 nan 4.420 nan 0.000 0.266 163 P C 0.599 177.966 177.300 0.112 0.000 1.195 163 P CA -0.023 63.122 63.100 0.075 0.000 0.768 163 P CB 0.560 32.295 31.700 0.057 0.000 0.838 164 F N 3.827 123.788 119.950 0.018 0.000 2.087 164 F HA -0.308 4.219 4.527 -0.000 0.000 0.299 164 F C 1.928 177.744 175.800 0.026 0.000 1.100 164 F CA 2.406 60.422 58.000 0.027 0.000 1.226 164 F CB -0.219 38.797 39.000 0.026 0.000 0.983 164 F HN 0.371 nan 8.300 nan 0.000 0.479 165 D N -0.412 120.144 120.400 0.260 0.000 2.219 165 D HA -0.138 4.502 4.640 -0.000 0.000 0.205 165 D C 2.145 178.467 176.300 0.037 0.000 0.970 165 D CA 1.402 55.493 54.000 0.151 0.000 0.851 165 D CB -1.077 39.814 40.800 0.153 0.000 0.943 165 D HN 0.325 nan 8.370 nan 0.000 0.488 166 V N 0.808 120.738 119.914 0.026 0.000 2.379 166 V HA -0.233 3.887 4.120 -0.000 0.000 0.245 166 V C 2.754 178.827 176.094 -0.035 0.000 1.044 166 V CA 1.607 63.908 62.300 0.002 0.000 1.036 166 V CB -0.642 31.189 31.823 0.013 0.000 0.664 166 V HN 0.162 nan 8.190 nan 0.000 0.453 167 Q N 0.023 119.780 119.800 -0.072 0.000 2.050 167 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 167 Q C 2.249 178.166 176.000 -0.138 0.000 0.980 167 Q CA 2.249 57.989 55.803 -0.106 0.000 0.840 167 Q CB -0.327 28.316 28.738 -0.158 0.000 0.898 167 Q HN 0.727 nan 8.270 nan 0.000 0.424 168 V N -2.417 117.384 119.914 -0.189 0.000 3.406 168 V HA 0.296 4.416 4.120 -0.000 0.000 0.263 168 V C 0.807 176.860 176.094 -0.068 0.000 1.172 168 V CA 0.201 62.408 62.300 -0.156 0.000 1.140 168 V CB -0.744 30.958 31.823 -0.202 0.000 0.784 168 V HN 0.163 nan 8.190 nan 0.000 0.467 169 A N 1.171 123.964 122.820 -0.044 0.000 2.407 169 A HA 0.371 4.691 4.320 -0.000 0.000 0.248 169 A C 0.438 178.014 177.584 -0.013 0.000 1.082 169 A CA -0.259 51.770 52.037 -0.013 0.000 0.785 169 A CB 0.012 19.013 19.000 0.001 0.000 1.020 169 A HN 0.530 nan 8.150 nan 0.000 0.489 170 E N 0.863 121.064 120.200 0.001 0.000 2.338 170 E HA 0.402 4.752 4.350 -0.000 0.000 0.272 170 E C -0.133 176.477 176.600 0.017 0.000 1.029 170 E CA 0.172 56.577 56.400 0.009 0.000 0.872 170 E CB 1.062 30.771 29.700 0.015 0.000 1.015 170 E HN 0.617 nan 8.360 nan 0.000 0.417 171 I N -1.681 118.905 120.570 0.026 0.000 3.042 171 I HA 0.485 4.655 4.170 -0.000 0.000 0.310 171 I C -0.441 175.722 176.117 0.076 0.000 1.117 171 I CA -1.182 60.146 61.300 0.046 0.000 1.003 171 I CB 2.288 40.313 38.000 0.041 0.000 1.228 171 I HN 0.246 nan 8.210 nan 0.000 0.443 172 E N 2.454 122.710 120.200 0.093 0.000 2.174 172 E HA 0.511 4.861 4.350 -0.000 0.000 0.282 172 E C -2.020 174.698 176.600 0.196 0.000 0.992 172 E CA -0.485 55.978 56.400 0.105 0.000 0.803 172 E CB 1.355 31.091 29.700 0.060 0.000 1.090 172 E HN 0.550 nan 8.360 nan 0.000 0.396 173 F N 3.842 123.780 119.950 -0.019 0.000 2.605 173 F HA 0.248 4.775 4.527 -0.000 0.000 0.320 173 F C -1.603 174.155 175.800 -0.071 0.000 1.159 173 F CA -0.968 57.013 58.000 -0.031 0.000 0.999 173 F CB 1.773 40.757 39.000 -0.026 0.000 1.258 173 F HN 0.376 nan 8.300 nan 0.000 0.464 174 D N 7.985 128.030 120.400 -0.592 0.000 2.412 174 D HA 0.359 4.999 4.640 -0.000 0.000 0.224 174 D C -1.705 174.155 176.300 -0.733 0.000 1.093 174 D CA -2.160 51.548 54.000 -0.487 0.000 0.850 174 D CB 2.008 42.628 40.800 -0.300 0.000 1.046 174 D HN 0.283 nan 8.370 nan 0.000 0.507 175 P HA -0.052 nan 4.420 nan 0.000 0.221 175 P C 0.204 177.384 177.300 -0.199 0.000 1.150 175 P CA 0.366 63.219 63.100 -0.412 0.000 0.800 175 P CB 0.597 31.910 31.700 -0.645 0.000 0.787 179 E N 7.496 127.238 120.200 -0.763 0.000 2.185 179 E HA 0.366 4.716 4.350 -0.000 0.000 0.261 179 E C -2.760 173.396 176.600 -0.740 0.000 0.879 179 E CA -1.997 54.076 56.400 -0.545 0.000 0.756 179 E CB 2.071 31.603 29.700 -0.280 0.000 1.152 179 E HN 0.380 nan 8.360 nan 0.000 0.416 180 P HA 0.034 nan 4.420 nan 0.000 0.266 180 P C -0.001 177.229 177.300 -0.116 0.000 1.195 180 P CA 0.085 63.061 63.100 -0.207 0.000 0.768 180 P CB 0.538 32.216 31.700 -0.036 0.000 0.838 181 L N 4.773 125.979 121.223 -0.028 0.000 2.452 181 L HA 0.278 4.618 4.340 -0.000 0.000 0.267 181 L C -1.492 175.426 176.870 0.080 0.000 1.188 181 L CA -1.798 53.041 54.840 -0.001 0.000 0.821 181 L CB -0.395 41.655 42.059 -0.015 0.000 1.102 181 L HN 0.316 nan 8.230 nan 0.000 0.470 182 P HA 0.103 nan 4.420 nan 0.000 0.271 182 P C -0.781 176.660 177.300 0.236 0.000 1.218 182 P CA -0.307 62.862 63.100 0.114 0.000 0.780 182 P CB 0.812 32.559 31.700 0.078 0.000 0.901 183 V N 3.832 123.855 119.914 0.181 0.000 2.461 183 V HA 0.037 4.157 4.120 -0.000 0.000 0.275 183 V C 0.116 176.315 176.094 0.175 0.000 1.047 183 V CA -0.395 62.007 62.300 0.171 0.000 0.955 183 V CB -0.155 31.718 31.823 0.084 0.000 0.988 183 V HN 0.466 nan 8.190 nan 0.000 0.471 184 Y N 6.229 126.570 120.300 0.069 0.000 2.336 184 Y HA 0.512 5.062 4.550 -0.000 0.000 0.335 184 Y C 0.108 176.010 175.900 0.005 0.000 1.046 184 Y CA -0.552 57.582 58.100 0.057 0.000 1.198 184 Y CB 0.516 39.035 38.460 0.097 0.000 1.182 184 Y HN 0.573 nan 8.280 nan 0.000 0.502 185 K N 8.357 128.355 120.400 -0.670 0.000 2.581 185 K HA 0.310 4.630 4.320 -0.000 0.000 0.249 185 K C -2.845 173.391 176.600 -0.606 0.000 0.966 185 K CA -1.900 54.001 56.287 -0.642 0.000 0.811 185 K CB 1.993 34.331 32.500 -0.271 0.000 1.223 185 K HN 0.493 nan 8.250 nan 0.000 0.438 186 P HA 0.234 nan 4.420 nan 0.000 0.274 186 P C -1.206 176.001 177.300 -0.156 0.000 1.231 186 P CA -0.481 62.462 63.100 -0.262 0.000 0.790 186 P CB 1.131 32.737 31.700 -0.157 0.000 0.951 187 A N 1.408 124.175 122.820 -0.089 0.000 2.393 187 A HA 0.679 4.999 4.320 -0.000 0.000 0.306 187 A C -0.162 177.396 177.584 -0.044 0.000 1.050 187 A CA -0.714 51.284 52.037 -0.065 0.000 0.724 187 A CB 1.421 20.390 19.000 -0.050 0.000 1.248 187 A HN 0.639 nan 8.150 nan 0.000 0.424 188 A N 1.396 124.189 122.820 -0.045 0.000 2.366 188 A HA 0.599 4.919 4.320 -0.000 0.000 0.249 188 A C 0.852 178.424 177.584 -0.021 0.000 1.084 188 A CA 0.429 52.445 52.037 -0.034 0.000 0.794 188 A CB -0.143 18.834 19.000 -0.038 0.000 1.034 188 A HN 1.951 nan 8.150 nan 0.000 0.491 189 S N 1.051 116.744 115.700 -0.012 0.000 2.654 189 S HA 0.558 5.028 4.470 -0.000 0.000 0.283 189 S C 0.342 174.941 174.600 -0.001 0.000 1.180 189 S CA -0.720 57.478 58.200 -0.004 0.000 1.021 189 S CB 0.970 64.171 63.200 0.000 0.000 1.018 189 S HN 0.960 nan 8.310 nan 0.000 0.532 193 I N 2.015 122.602 120.570 0.029 0.000 2.315 193 I HA -0.150 4.020 4.170 -0.000 0.000 0.248 193 I C 1.911 178.071 176.117 0.071 0.000 1.117 193 I CA 1.717 63.045 61.300 0.047 0.000 1.404 193 I CB -0.798 37.211 38.000 0.015 0.000 1.071 193 I HN 0.314 nan 8.210 nan 0.000 0.419 194 E N 0.802 121.034 120.200 0.053 0.000 2.085 194 E HA -0.290 4.060 4.350 -0.000 0.000 0.194 194 E C 2.125 178.766 176.600 0.069 0.000 0.994 194 E CA 1.526 57.960 56.400 0.056 0.000 0.801 194 E CB -0.061 29.663 29.700 0.040 0.000 0.743 194 E HN 0.228 nan 8.360 nan 0.000 0.453 195 K N 0.863 121.301 120.400 0.064 0.000 2.057 195 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 195 K C 1.843 178.507 176.600 0.107 0.000 1.049 195 K CA 1.346 57.673 56.287 0.068 0.000 0.931 195 K CB -0.285 32.245 32.500 0.050 0.000 0.714 195 K HN 0.117 nan 8.250 nan 0.000 0.440 196 A N -0.097 122.809 122.820 0.143 0.000 1.902 196 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 196 A C 2.288 180.060 177.584 0.314 0.000 1.181 196 A CA 1.841 54.038 52.037 0.268 0.000 0.623 196 A CB -0.704 18.493 19.000 0.329 0.000 0.818 196 A HN 0.130 nan 8.150 nan 0.000 0.443 197 V N 0.204 120.244 119.914 0.210 0.000 2.453 197 V HA -0.131 3.989 4.120 -0.000 0.000 0.247 197 V C 1.372 177.525 176.094 0.099 0.000 1.048 197 V CA 1.205 63.594 62.300 0.148 0.000 1.049 197 V CB -0.778 31.126 31.823 0.135 0.000 0.672 197 V HN 0.577 nan 8.190 nan 0.000 0.457 201 I N -0.135 120.435 120.570 0.001 0.000 2.493 201 I HA -0.139 4.031 4.170 -0.000 0.000 0.254 201 I C 1.797 177.903 176.117 -0.017 0.000 1.160 201 I CA 1.816 63.107 61.300 -0.015 0.000 1.445 201 I CB -0.571 37.426 38.000 -0.005 0.000 1.086 201 I HN 0.599 nan 8.210 nan 0.000 0.433 202 Q N 2.015 121.812 119.800 -0.006 0.000 2.403 202 Q HA 0.381 4.721 4.340 -0.000 0.000 0.203 202 Q C 0.867 176.847 176.000 -0.033 0.000 0.932 202 Q CA 0.175 55.969 55.803 -0.015 0.000 0.945 202 Q CB -0.063 28.672 28.738 -0.005 0.000 1.045 202 Q HN 0.534 nan 8.270 nan 0.000 0.511 203 A N 1.384 124.180 122.820 -0.040 0.000 2.409 203 A HA 0.114 4.434 4.320 -0.000 0.000 0.262 203 A C 0.500 178.008 177.584 -0.128 0.000 1.113 203 A CA -0.431 51.559 52.037 -0.078 0.000 0.790 203 A CB 0.549 19.511 19.000 -0.063 0.000 1.046 203 A HN 0.360 nan 8.150 nan 0.000 0.496 204 E N 1.313 121.408 120.200 -0.176 0.000 2.122 204 E HA -0.038 4.312 4.350 -0.000 0.000 0.190 204 E C 0.196 176.549 176.600 -0.411 0.000 0.977 204 E CA 0.763 57.033 56.400 -0.217 0.000 0.820 204 E CB 0.133 29.721 29.700 -0.186 0.000 0.770 204 E HN 0.660 nan 8.360 nan 0.000 0.462 205 R N 0.977 121.101 120.500 -0.626 0.000 2.674 205 R HA 0.212 4.552 4.340 -0.000 0.000 0.270 205 R C -2.629 173.127 176.300 -0.906 0.000 1.492 205 R CA -1.275 53.980 56.100 -1.409 0.000 1.624 205 R CB 1.356 30.620 30.300 -1.726 0.000 1.307 205 R HN 0.068 nan 8.270 nan 0.000 0.683 206 P HA 0.168 nan 4.420 nan 0.000 0.281 206 P C -0.315 177.102 177.300 0.194 0.000 1.249 206 P CA -0.342 62.724 63.100 -0.057 0.000 0.810 206 P CB 1.715 33.402 31.700 -0.022 0.000 1.008 207 V N 0.063 120.103 119.914 0.209 0.000 2.789 207 V HA 0.570 4.690 4.120 -0.000 0.000 0.311 207 V C -0.255 175.983 176.094 0.241 0.000 1.073 207 V CA -1.125 61.325 62.300 0.250 0.000 0.921 207 V CB 1.841 33.819 31.823 0.258 0.000 1.009 207 V HN 0.310 nan 8.190 nan 0.000 0.426 208 I N 3.365 124.064 120.570 0.215 0.000 2.331 208 I HA 0.415 4.585 4.170 -0.000 0.000 0.292 208 I C -0.390 175.855 176.117 0.213 0.000 0.998 208 I CA -0.680 60.779 61.300 0.264 0.000 1.267 208 I CB 1.826 39.961 38.000 0.225 0.000 1.386 208 I HN 0.453 nan 8.210 nan 0.000 0.476 209 V N 6.757 126.802 119.914 0.218 0.000 2.318 209 V HA 0.442 4.562 4.120 -0.000 0.000 0.271 209 V C 0.440 176.571 176.094 0.062 0.000 1.030 209 V CA -0.488 61.893 62.300 0.134 0.000 0.844 209 V CB 1.164 33.073 31.823 0.142 0.000 1.015 209 V HN 0.815 nan 8.190 nan 0.000 0.460 210 A N 4.512 127.360 122.820 0.047 0.000 2.252 210 A HA 0.803 5.122 4.320 -0.000 0.000 0.309 210 A C 0.560 178.129 177.584 -0.026 0.000 1.285 210 A CA 0.059 52.113 52.037 0.030 0.000 0.900 210 A CB 0.665 19.699 19.000 0.056 0.000 1.157 210 A HN 0.893 nan 8.150 nan 0.000 0.536 211 G N 0.730 109.495 108.800 -0.059 0.000 2.552 211 G HA2 0.451 4.411 3.960 -0.000 0.000 0.318 211 G HA3 0.451 4.411 3.960 -0.000 0.000 0.318 211 G C 0.973 175.849 174.900 -0.041 0.000 1.240 211 G CA -0.050 44.993 45.100 -0.095 0.000 1.002 211 G HN 1.048 nan 8.290 nan 0.000 0.493 212 G N -0.774 108.002 108.800 -0.041 0.000 2.498 212 G HA2 0.060 4.020 3.960 -0.000 0.000 0.219 212 G HA3 0.060 4.020 3.960 -0.000 0.000 0.219 212 G C 1.592 176.485 174.900 -0.013 0.000 1.119 212 G CA 1.370 46.465 45.100 -0.009 0.000 0.766 212 G HN 0.912 nan 8.290 nan 0.000 0.552 213 G N 0.498 109.280 108.800 -0.029 0.000 2.432 213 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.219 213 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.219 213 G C 1.715 176.606 174.900 -0.016 0.000 1.135 213 G CA 1.064 46.148 45.100 -0.027 0.000 0.767 213 G HN 0.316 nan 8.290 nan 0.000 0.550 214 V N 1.169 121.078 119.914 -0.008 0.000 2.295 214 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 214 V C 2.770 178.870 176.094 0.009 0.000 1.049 214 V CA 1.600 63.903 62.300 0.004 0.000 1.024 214 V CB -0.393 31.441 31.823 0.018 0.000 0.648 214 V HN 0.394 nan 8.190 nan 0.000 0.447 215 I N 0.217 120.797 120.570 0.017 0.000 2.226 215 I HA -0.225 3.945 4.170 -0.000 0.000 0.245 215 I C 2.481 178.607 176.117 0.015 0.000 1.100 215 I CA 1.443 62.757 61.300 0.023 0.000 1.374 215 I CB -0.516 37.508 38.000 0.039 0.000 1.057 215 I HN 0.345 nan 8.210 nan 0.000 0.413 216 N N 1.200 119.905 118.700 0.008 0.000 2.149 216 N HA -0.133 4.607 4.740 -0.000 0.000 0.188 216 N C 1.659 177.168 175.510 -0.001 0.000 1.019 216 N CA 1.684 54.736 53.050 0.003 0.000 0.857 216 N CB -0.098 38.385 38.487 -0.006 0.000 0.997 216 N HN 0.351 nan 8.380 nan 0.000 0.426 217 A N -0.336 122.480 122.820 -0.007 0.000 2.208 217 A HA 0.030 4.350 4.320 -0.000 0.000 0.209 217 A C 0.306 177.888 177.584 -0.003 0.000 1.161 217 A CA 0.512 52.542 52.037 -0.011 0.000 0.782 217 A CB -0.031 18.956 19.000 -0.021 0.000 0.816 217 A HN 0.303 nan 8.150 nan 0.000 0.477 218 D N -2.475 117.928 120.400 0.004 0.000 2.716 218 D HA -0.173 4.467 4.640 -0.000 0.000 0.239 218 D C 0.292 176.597 176.300 0.008 0.000 1.125 218 D CA 0.968 54.973 54.000 0.009 0.000 0.681 218 D CB -1.394 39.412 40.800 0.009 0.000 1.070 218 D HN 0.601 nan 8.370 nan 0.000 0.432 219 A N -0.483 122.343 122.820 0.009 0.000 2.676 219 A HA 0.702 5.022 4.320 -0.000 0.000 0.297 219 A C 1.782 179.378 177.584 0.020 0.000 1.132 219 A CA 0.762 52.806 52.037 0.011 0.000 0.972 219 A CB 0.286 19.288 19.000 0.003 0.000 1.197 219 A HN 0.451 nan 8.150 nan 0.000 0.524 220 A N 0.195 123.027 122.820 0.020 0.000 1.898 220 A HA 0.207 4.527 4.320 -0.000 0.000 0.216 220 A C 2.362 179.962 177.584 0.026 0.000 1.181 220 A CA 1.858 53.909 52.037 0.023 0.000 0.620 220 A CB -0.685 18.325 19.000 0.017 0.000 0.819 220 A HN 1.194 nan 8.150 nan 0.000 0.442 221 A N -0.287 122.548 122.820 0.026 0.000 1.902 221 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 221 A C 2.160 179.769 177.584 0.043 0.000 1.181 221 A CA 1.525 53.581 52.037 0.032 0.000 0.623 221 A CB -0.595 18.422 19.000 0.029 0.000 0.818 221 A HN 0.463 nan 8.150 nan 0.000 0.443 222 L N -1.192 120.056 121.223 0.042 0.000 2.141 222 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 222 L C 2.531 179.453 176.870 0.088 0.000 1.094 222 L CA 0.986 55.859 54.840 0.055 0.000 0.763 222 L CB -0.384 41.694 42.059 0.031 0.000 0.908 222 L HN 0.484 nan 8.230 nan 0.000 0.437 223 L N -0.346 120.923 121.223 0.077 0.000 2.027 223 L HA -0.256 4.084 4.340 -0.000 0.000 0.206 223 L C 2.657 179.588 176.870 0.102 0.000 1.074 223 L CA 1.686 56.594 54.840 0.113 0.000 0.745 223 L CB -0.422 41.684 42.059 0.079 0.000 0.898 223 L HN 0.260 nan 8.230 nan 0.000 0.433 224 Q N -0.825 118.996 119.800 0.036 0.000 2.077 224 Q HA -0.334 4.006 4.340 -0.000 0.000 0.206 224 Q C 2.331 178.344 176.000 0.021 0.000 0.989 224 Q CA 2.375 58.162 55.803 -0.026 0.000 0.853 224 Q CB -0.275 28.452 28.738 -0.018 0.000 0.907 224 Q HN 0.691 nan 8.270 nan 0.000 0.418 225 Q N -0.772 119.070 119.800 0.070 0.000 2.084 225 Q HA -0.206 4.134 4.340 -0.000 0.000 0.202 225 Q C 1.880 177.944 176.000 0.106 0.000 0.978 225 Q CA 1.615 57.468 55.803 0.084 0.000 0.844 225 Q CB -0.230 28.561 28.738 0.088 0.000 0.898 225 Q HN 0.477 nan 8.270 nan 0.000 0.426 226 F N 0.580 120.524 119.950 -0.009 0.000 2.134 226 F HA -0.089 4.438 4.527 -0.000 0.000 0.299 226 F C 1.968 177.745 175.800 -0.038 0.000 1.097 226 F CA 1.371 59.357 58.000 -0.022 0.000 1.264 226 F CB -0.617 38.371 39.000 -0.020 0.000 1.001 226 F HN 0.137 nan 8.300 nan 0.000 0.479 227 A N 0.042 122.780 122.820 -0.137 0.000 1.902 227 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 227 A C 2.152 179.629 177.584 -0.178 0.000 1.181 227 A CA 1.825 53.727 52.037 -0.226 0.000 0.623 227 A CB -0.912 18.018 19.000 -0.117 0.000 0.818 227 A HN 0.525 nan 8.150 nan 0.000 0.443 228 E N -0.272 119.882 120.200 -0.077 0.000 2.051 228 E HA -0.160 4.190 4.350 -0.000 0.000 0.192 228 E C 1.949 178.515 176.600 -0.057 0.000 0.991 228 E CA 1.255 57.650 56.400 -0.009 0.000 0.799 228 E CB -0.283 29.454 29.700 0.062 0.000 0.748 228 E HN 0.606 nan 8.360 nan 0.000 0.449 229 L N 0.497 121.668 121.223 -0.086 0.000 2.083 229 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 229 L C 2.593 179.371 176.870 -0.153 0.000 1.083 229 L CA 1.565 56.352 54.840 -0.088 0.000 0.752 229 L CB -0.415 41.618 42.059 -0.043 0.000 0.899 229 L HN 0.327 nan 8.230 nan 0.000 0.433 230 T N -5.655 108.722 114.554 -0.296 0.000 3.065 230 T HA 0.028 4.378 4.350 -0.000 0.000 0.252 230 T C 1.107 175.692 174.700 -0.192 0.000 1.099 230 T CA 0.493 62.406 62.100 -0.311 0.000 1.063 230 T CB 0.370 68.883 68.868 -0.592 0.000 0.948 230 T HN 0.193 nan 8.240 nan 0.000 0.506 231 S N 0.029 115.642 115.700 -0.146 0.000 3.682 231 S HA -0.133 4.337 4.470 -0.000 0.000 0.354 231 S C -0.089 174.487 174.600 -0.039 0.000 1.034 231 S CA 0.319 58.480 58.200 -0.065 0.000 1.084 231 S CB -2.089 61.093 63.200 -0.030 0.000 0.903 231 S HN 0.559 nan 8.310 nan 0.000 0.470 232 V N 2.887 122.748 119.914 -0.088 0.000 2.370 232 V HA 0.467 4.587 4.120 -0.000 0.000 0.283 232 V C -1.871 174.227 176.094 0.005 0.000 1.023 232 V CA -1.794 60.495 62.300 -0.019 0.000 0.857 232 V CB 1.588 33.349 31.823 -0.103 0.000 0.985 232 V HN 0.276 nan 8.190 nan 0.000 0.443 233 P HA 0.100 nan 4.420 nan 0.000 0.267 233 P C -0.667 176.663 177.300 0.051 0.000 1.200 233 P CA 0.125 63.237 63.100 0.019 0.000 0.772 233 P CB 0.524 32.206 31.700 -0.031 0.000 0.855 234 V N 4.706 124.633 119.914 0.023 0.000 2.459 234 V HA 0.326 4.446 4.120 -0.000 0.000 0.295 234 V C 0.221 176.347 176.094 0.055 0.000 1.029 234 V CA -0.466 61.860 62.300 0.043 0.000 0.874 234 V CB 1.501 33.325 31.823 0.001 0.000 0.985 234 V HN 0.367 nan 8.190 nan 0.000 0.438 235 I N 7.226 127.847 120.570 0.084 0.000 2.371 235 I HA 0.358 4.528 4.170 -0.000 0.000 0.282 235 I C -2.375 173.780 176.117 0.064 0.000 1.031 235 I CA -2.202 59.146 61.300 0.080 0.000 1.180 235 I CB 1.726 39.803 38.000 0.128 0.000 1.336 235 I HN 0.389 nan 8.210 nan 0.000 0.467 236 P HA 0.180 nan 4.420 nan 0.000 0.279 236 P C 0.017 177.298 177.300 -0.032 0.000 1.239 236 P CA -0.055 63.052 63.100 0.011 0.000 0.789 236 P CB 0.774 32.504 31.700 0.049 0.000 0.933 237 T N 2.489 117.011 114.554 -0.053 0.000 2.766 237 T HA 0.119 4.469 4.350 -0.000 0.000 0.295 237 T C 0.943 175.598 174.700 -0.075 0.000 1.024 237 T CA -0.289 61.753 62.100 -0.097 0.000 1.018 237 T CB 0.129 68.868 68.868 -0.216 0.000 1.002 237 T HN 0.266 nan 8.240 nan 0.000 0.532 241 W N 2.288 123.562 121.300 -0.044 0.000 2.443 241 W HA 0.408 5.068 4.660 0.000 0.000 0.335 241 W C 1.192 177.697 176.519 -0.024 0.000 1.382 241 W CA 1.519 58.810 57.345 -0.090 0.000 1.305 241 W CB -0.015 29.294 29.460 -0.251 0.000 1.283 241 W HN 0.997 nan 8.180 nan 0.000 0.567 242 G N 2.718 111.606 108.800 0.145 0.000 2.231 242 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.206 242 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.206 242 G C 1.126 176.030 174.900 0.006 0.000 0.996 242 G CA 0.227 45.300 45.100 -0.045 0.000 0.645 242 G HN 1.214 nan 8.290 nan 0.000 0.498 243 C N -0.050 119.280 119.300 0.051 0.000 2.456 243 C HA 0.697 5.157 4.460 -0.000 0.000 0.279 243 C C 1.185 176.184 174.990 0.016 0.000 1.427 243 C CA 0.195 59.232 59.018 0.033 0.000 1.778 243 C CB -0.803 26.962 27.740 0.043 0.000 1.842 243 C HN 0.629 nan 8.230 nan 0.000 0.531 244 I N 1.213 121.791 120.570 0.014 0.000 2.533 244 I HA 0.493 4.663 4.170 -0.000 0.000 0.290 244 I C -2.599 173.527 176.117 0.016 0.000 1.056 244 I CA -2.608 58.679 61.300 -0.023 0.000 1.057 244 I CB 2.273 40.210 38.000 -0.106 0.000 1.240 244 I HN -0.136 nan 8.210 nan 0.000 0.423 245 P HA 0.136 nan 4.420 nan 0.000 0.269 245 P C -0.382 176.955 177.300 0.061 0.000 1.209 245 P CA 0.011 63.163 63.100 0.086 0.000 0.776 245 P CB 0.619 32.444 31.700 0.208 0.000 0.876 246 D N 0.960 121.282 120.400 -0.130 0.000 2.218 246 D HA -0.156 4.484 4.640 -0.000 0.000 0.204 246 D C 1.049 177.319 176.300 -0.051 0.000 0.976 246 D CA 1.331 55.242 54.000 -0.148 0.000 0.853 246 D CB -0.281 40.268 40.800 -0.418 0.000 0.939 246 D HN 0.519 nan 8.370 nan 0.000 0.481 247 D N -1.208 119.264 120.400 0.120 0.000 2.340 247 D HA -0.120 4.520 4.640 -0.000 0.000 0.220 247 D C 0.709 177.052 176.300 0.070 0.000 1.039 247 D CA -0.102 53.958 54.000 0.099 0.000 0.866 247 D CB -0.700 40.194 40.800 0.157 0.000 0.913 247 D HN 0.210 nan 8.370 nan 0.000 0.523 248 H N 1.741 120.820 119.070 0.015 0.000 2.815 248 H HA -0.012 4.544 4.556 -0.000 0.000 0.350 248 H C 1.197 176.506 175.328 -0.032 0.000 1.080 248 H CA 0.794 56.842 56.048 -0.001 0.000 1.433 248 H CB 1.223 30.989 29.762 0.008 0.000 1.432 248 H HN 0.265 nan 8.280 nan 0.000 0.592 249 E N 3.978 124.172 120.200 -0.009 0.000 2.204 249 E HA -0.049 4.301 4.350 -0.000 0.000 0.195 249 E C 0.391 177.046 176.600 0.091 0.000 0.990 249 E CA 0.634 57.041 56.400 0.012 0.000 0.821 249 E CB 0.349 30.011 29.700 -0.064 0.000 0.750 249 E HN 0.362 nan 8.360 nan 0.000 0.477 256 G N 1.618 110.254 108.800 -0.274 0.000 2.350 256 G HA2 0.231 4.191 3.960 -0.000 0.000 0.282 256 G HA3 0.231 4.191 3.960 -0.000 0.000 0.282 256 G C -0.407 174.405 174.900 -0.147 0.000 1.314 256 G CA -0.206 44.767 45.100 -0.212 0.000 0.915 256 G HN 0.781 nan 8.290 nan 0.000 0.499 257 L N -0.277 120.882 121.223 -0.106 0.000 2.416 257 L HA 0.273 4.613 4.340 -0.000 0.000 0.216 257 L C 2.395 179.220 176.870 -0.074 0.000 1.098 257 L CA 1.065 55.860 54.840 -0.075 0.000 0.840 257 L CB 0.107 42.139 42.059 -0.045 0.000 0.981 257 L HN 0.644 nan 8.230 nan 0.000 0.462 258 Q N -1.059 118.684 119.800 -0.096 0.000 2.361 258 Q HA 0.048 4.388 4.340 -0.000 0.000 0.182 258 Q C 0.792 176.698 176.000 -0.157 0.000 0.650 258 Q CA 0.464 56.211 55.803 -0.092 0.000 0.842 258 Q CB 0.711 29.414 28.738 -0.057 0.000 1.211 258 Q HN 0.292 nan 8.270 nan 0.000 0.502 259 T N -0.120 114.322 114.554 -0.187 0.000 4.313 259 T HA 0.705 5.055 4.350 -0.000 0.000 0.272 259 T C -0.239 174.195 174.700 -0.444 0.000 1.298 259 T CA -0.050 61.873 62.100 -0.296 0.000 1.124 259 T CB 0.042 68.763 68.868 -0.245 0.000 1.352 259 T HN 0.309 nan 8.240 nan 0.000 1.013 260 A N 2.032 124.564 122.820 -0.480 0.000 2.593 260 A HA 0.728 5.048 4.320 -0.000 0.000 0.290 260 A C -0.956 176.223 177.584 -0.675 0.000 1.126 260 A CA -1.055 50.639 52.037 -0.572 0.000 0.695 260 A CB 1.148 19.938 19.000 -0.350 0.000 1.290 260 A HN 0.679 nan 8.150 nan 0.000 0.414 261 H N 0.045 118.838 119.070 -0.461 0.000 2.567 261 H HA 0.420 4.976 4.556 -0.000 0.000 0.345 261 H C 0.749 175.785 175.328 -0.487 0.000 1.169 261 H CA -0.498 55.178 56.048 -0.619 0.000 1.227 261 H CB 1.544 30.534 29.762 -1.286 0.000 1.607 261 H HN 0.749 nan 8.280 nan 0.000 0.534 262 R N 0.605 120.968 120.500 -0.228 0.000 2.081 262 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 262 R C 1.880 178.139 176.300 -0.068 0.000 1.131 262 R CA 1.875 57.914 56.100 -0.102 0.000 0.960 262 R CB -0.304 29.996 30.300 0.001 0.000 0.856 262 R HN 0.627 nan 8.270 nan 0.000 0.436 263 Y N -1.156 119.149 120.300 0.007 0.000 2.242 263 Y HA 0.139 4.689 4.550 -0.000 0.000 0.291 263 Y C 2.313 178.197 175.900 -0.027 0.000 1.137 263 Y CA 0.634 58.717 58.100 -0.029 0.000 1.181 263 Y CB -1.210 37.208 38.460 -0.069 0.000 0.989 263 Y HN -0.070 nan 8.280 nan 0.000 0.527 264 G N 1.145 109.834 108.800 -0.184 0.000 2.459 264 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.217 264 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.217 264 G C 1.407 176.270 174.900 -0.062 0.000 1.183 264 G CA 1.316 46.362 45.100 -0.089 0.000 0.776 264 G HN 0.388 nan 8.290 nan 0.000 0.552 265 N N 1.165 119.804 118.700 -0.102 0.000 2.166 265 N HA -0.042 4.698 4.740 -0.000 0.000 0.186 265 N C 2.383 177.876 175.510 -0.028 0.000 1.019 265 N CA 1.315 54.320 53.050 -0.075 0.000 0.856 265 N CB -0.490 37.943 38.487 -0.090 0.000 0.993 265 N HN 0.336 nan 8.380 nan 0.000 0.426 266 A N -0.097 122.720 122.820 -0.005 0.000 1.929 266 A HA -0.064 4.256 4.320 -0.000 0.000 0.216 266 A C 2.334 179.952 177.584 0.057 0.000 1.176 266 A CA 1.711 53.763 52.037 0.025 0.000 0.628 266 A CB -0.957 18.065 19.000 0.036 0.000 0.816 266 A HN 0.264 nan 8.150 nan 0.000 0.444 267 T N 0.146 114.735 114.554 0.058 0.000 2.708 267 T HA -0.134 4.216 4.350 -0.000 0.000 0.266 267 T C 1.870 176.676 174.700 0.177 0.000 1.037 267 T CA 1.540 63.697 62.100 0.094 0.000 1.146 267 T CB -0.367 68.513 68.868 0.019 0.000 0.865 267 T HN 0.376 nan 8.240 nan 0.000 0.435 268 L N 0.591 121.862 121.223 0.081 0.000 2.017 268 L HA 0.019 4.359 4.340 -0.000 0.000 0.208 268 L C 2.156 179.018 176.870 -0.012 0.000 1.073 268 L CA 1.413 56.269 54.840 0.027 0.000 0.745 268 L CB -0.320 41.707 42.059 -0.055 0.000 0.894 268 L HN 0.236 nan 8.230 nan 0.000 0.432 269 L N -0.537 120.680 121.223 -0.009 0.000 2.265 269 L HA -0.138 4.202 4.340 -0.000 0.000 0.215 269 L C 2.511 179.392 176.870 0.018 0.000 1.117 269 L CA 0.846 55.675 54.840 -0.019 0.000 0.782 269 L CB -0.701 41.350 42.059 -0.013 0.000 0.914 269 L HN 0.363 nan 8.230 nan 0.000 0.441 270 A N -0.566 122.313 122.820 0.097 0.000 2.081 270 A HA 0.023 4.343 4.320 -0.000 0.000 0.214 270 A C 1.473 179.095 177.584 0.062 0.000 1.158 270 A CA 0.507 52.630 52.037 0.144 0.000 0.724 270 A CB -0.231 18.952 19.000 0.305 0.000 0.826 270 A HN 0.419 nan 8.150 nan 0.000 0.463 271 S N 1.035 116.778 115.700 0.072 0.000 2.593 271 S HA 0.366 4.836 4.470 -0.000 0.000 0.269 271 S C -0.226 174.264 174.600 -0.183 0.000 1.334 271 S CA -0.076 58.048 58.200 -0.127 0.000 1.015 271 S CB 0.671 63.905 63.200 0.057 0.000 0.912 271 S HN 0.503 nan 8.310 nan 0.000 0.541 275 F N 4.050 124.102 119.950 0.169 0.000 2.351 275 F HA 0.686 5.213 4.527 -0.000 0.000 0.362 275 F C 1.036 176.945 175.800 0.182 0.000 1.131 275 F CA -0.175 57.932 58.000 0.177 0.000 1.187 275 F CB 0.888 39.996 39.000 0.181 0.000 1.434 275 F HN 0.599 nan 8.300 nan 0.000 0.553 276 G N 7.079 115.930 108.800 0.084 0.000 2.351 276 G HA2 0.469 4.429 3.960 -0.000 0.000 0.287 276 G HA3 0.469 4.429 3.960 -0.000 0.000 0.287 276 G C -0.636 174.275 174.900 0.017 0.000 1.159 276 G CA -0.422 44.718 45.100 0.066 0.000 0.929 276 G HN 0.608 nan 8.290 nan 0.000 0.435 277 I N 2.243 122.836 120.570 0.040 0.000 2.411 277 I HA 0.405 4.575 4.170 -0.000 0.000 0.284 277 I C 1.028 177.142 176.117 -0.006 0.000 1.012 277 I CA -0.482 60.840 61.300 0.035 0.000 1.119 277 I CB 1.791 39.855 38.000 0.108 0.000 1.261 277 I HN 0.761 nan 8.210 nan 0.000 0.448 278 G N 4.121 112.909 108.800 -0.020 0.000 2.153 278 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.252 278 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.252 278 G C -0.098 174.755 174.900 -0.079 0.000 0.994 278 G CA 0.265 45.341 45.100 -0.040 0.000 0.698 278 G HN 0.776 nan 8.290 nan 0.000 0.521 279 N N -0.349 118.269 118.700 -0.137 0.000 2.443 279 N HA 0.675 5.415 4.740 -0.000 0.000 0.293 279 N C 0.393 175.727 175.510 -0.293 0.000 1.159 279 N CA -0.641 52.228 53.050 -0.302 0.000 0.904 279 N CB 1.148 39.309 38.487 -0.544 0.000 1.214 279 N HN 0.679 nan 8.380 nan 0.000 0.513 280 R N -0.913 119.385 120.500 -0.337 0.000 2.810 280 R HA 0.521 4.861 4.340 -0.000 0.000 0.245 280 R C -0.878 175.086 176.300 -0.560 0.000 1.168 280 R CA -0.723 55.208 56.100 -0.283 0.000 1.096 280 R CB 0.440 30.690 30.300 -0.084 0.000 1.259 280 R HN 0.397 nan 8.270 nan 0.000 0.518 281 F N 0.812 120.627 119.950 -0.226 0.000 2.334 281 F HA 0.386 4.913 4.527 -0.000 0.000 0.343 281 F C 0.393 176.065 175.800 -0.213 0.000 1.136 281 F CA -0.610 57.219 58.000 -0.284 0.000 1.237 281 F CB 1.131 39.942 39.000 -0.316 0.000 1.525 281 F HN 0.704 nan 8.300 nan 0.000 0.528 282 A N 1.792 124.551 122.820 -0.101 0.000 2.540 282 A HA -0.015 4.305 4.320 -0.000 0.000 0.239 282 A C 1.827 179.401 177.584 -0.016 0.000 1.061 282 A CA 0.153 52.158 52.037 -0.053 0.000 0.758 282 A CB 0.052 19.007 19.000 -0.075 0.000 0.991 282 A HN 0.838 nan 8.150 nan 0.000 0.502 283 N N 1.835 120.524 118.700 -0.018 0.000 2.112 283 N HA -0.260 4.480 4.740 -0.000 0.000 0.200 283 N C 1.375 176.875 175.510 -0.017 0.000 1.011 283 N CA 2.117 55.157 53.050 -0.017 0.000 0.891 283 N CB -0.086 38.396 38.487 -0.009 0.000 1.060 283 N HN 0.764 nan 8.380 nan 0.000 0.478 284 R N -1.459 119.035 120.500 -0.010 0.000 2.310 284 R HA -0.024 4.316 4.340 -0.000 0.000 0.202 284 R C 1.566 177.860 176.300 -0.010 0.000 0.933 284 R CA 0.214 56.304 56.100 -0.017 0.000 1.054 284 R CB -0.122 30.164 30.300 -0.024 0.000 0.985 284 R HN 0.490 nan 8.270 nan 0.000 0.489 285 H N 0.407 119.418 119.070 -0.098 0.000 2.384 285 H HA -0.015 4.541 4.556 -0.000 0.000 0.300 285 H C 2.069 177.341 175.328 -0.093 0.000 1.057 285 H CA 2.041 58.029 56.048 -0.100 0.000 1.370 285 H CB 0.421 30.107 29.762 -0.127 0.000 1.417 285 H HN 0.098 nan 8.280 nan 0.000 0.527 286 T N -3.168 111.313 114.554 -0.121 0.000 3.010 286 T HA 0.350 4.700 4.350 -0.000 0.000 0.252 286 T C 1.516 176.196 174.700 -0.033 0.000 1.047 286 T CA 0.557 62.507 62.100 -0.250 0.000 1.140 286 T CB -0.306 68.287 68.868 -0.459 0.000 0.885 286 T HN 0.643 nan 8.240 nan 0.000 0.464 287 G N 1.447 110.225 108.800 -0.037 0.000 2.528 287 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.262 287 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.262 287 G C -0.073 174.824 174.900 -0.006 0.000 1.200 287 G CA -0.176 44.918 45.100 -0.011 0.000 0.951 287 G HN 0.846 nan 8.290 nan 0.000 0.566 288 S N 0.241 115.947 115.700 0.009 0.000 2.515 288 S HA 0.275 4.745 4.470 -0.000 0.000 0.285 288 S C 1.707 176.324 174.600 0.028 0.000 1.265 288 S CA 0.057 58.263 58.200 0.010 0.000 1.079 288 S CB 1.504 64.710 63.200 0.010 0.000 0.877 288 S HN 1.070 nan 8.310 nan 0.000 0.493 289 V N 3.913 123.830 119.914 0.006 0.000 2.380 289 V HA -0.242 3.878 4.120 -0.000 0.000 0.251 289 V C 2.061 178.179 176.094 0.040 0.000 1.063 289 V CA 2.022 64.327 62.300 0.008 0.000 1.055 289 V CB -0.771 31.032 31.823 -0.035 0.000 0.657 289 V HN 0.764 nan 8.190 nan 0.000 0.455 290 E N 0.002 120.213 120.200 0.019 0.000 2.085 290 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 290 E C 2.231 178.843 176.600 0.021 0.000 0.994 290 E CA 1.230 57.637 56.400 0.011 0.000 0.801 290 E CB -0.256 29.445 29.700 0.002 0.000 0.743 290 E HN 0.536 nan 8.360 nan 0.000 0.453 291 K N -0.339 120.083 120.400 0.036 0.000 2.103 291 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 291 K C 2.127 178.758 176.600 0.052 0.000 1.052 291 K CA 0.960 57.266 56.287 0.032 0.000 0.945 291 K CB -0.225 32.293 32.500 0.029 0.000 0.722 291 K HN 0.184 nan 8.250 nan 0.000 0.443 292 Y N 2.196 122.472 120.300 -0.040 0.000 2.274 292 Y HA -0.195 4.355 4.550 -0.000 0.000 0.290 292 Y C 1.847 177.718 175.900 -0.049 0.000 1.145 292 Y CA 1.634 59.711 58.100 -0.038 0.000 1.203 292 Y CB 0.051 38.494 38.460 -0.030 0.000 0.984 292 Y HN -0.006 nan 8.280 nan 0.000 0.533 293 T N -0.971 113.607 114.554 0.040 0.000 3.044 293 T HA 0.008 4.358 4.350 -0.000 0.000 0.250 293 T C 0.453 175.117 174.700 -0.060 0.000 1.081 293 T CA -0.204 61.875 62.100 -0.034 0.000 1.040 293 T CB -0.156 68.702 68.868 -0.016 0.000 0.962 293 T HN 0.252 nan 8.240 nan 0.000 0.506 294 E N 1.724 121.895 120.200 -0.048 0.000 2.694 294 E HA 0.205 4.555 4.350 -0.000 0.000 0.250 294 E C 1.007 177.572 176.600 -0.058 0.000 0.963 294 E CA 0.505 56.878 56.400 -0.045 0.000 0.949 294 E CB -0.288 29.391 29.700 -0.035 0.000 0.911 294 E HN 0.512 nan 8.360 nan 0.000 0.500 295 G N 4.385 113.156 108.800 -0.050 0.000 2.273 295 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.280 295 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.280 295 G C 0.081 174.942 174.900 -0.065 0.000 1.047 295 G CA 0.782 45.850 45.100 -0.053 0.000 0.869 295 G HN 0.578 nan 8.290 nan 0.000 0.502 296 R N -0.651 119.810 120.500 -0.065 0.000 2.548 296 R HA 0.434 4.774 4.340 -0.000 0.000 0.280 296 R C -0.139 176.129 176.300 -0.053 0.000 1.061 296 R CA -0.881 55.175 56.100 -0.074 0.000 0.915 296 R CB 1.112 31.347 30.300 -0.108 0.000 1.210 296 R HN 0.175 nan 8.270 nan 0.000 0.442 297 K N 3.606 123.985 120.400 -0.034 0.000 2.118 297 K HA 0.424 4.744 4.320 -0.000 0.000 0.264 297 K C -0.289 176.314 176.600 0.005 0.000 1.000 297 K CA -0.541 55.739 56.287 -0.011 0.000 0.929 297 K CB 0.929 33.434 32.500 0.009 0.000 1.021 297 K HN 0.328 nan 8.250 nan 0.000 0.463 298 I N 2.833 123.404 120.570 0.001 0.000 2.447 298 I HA 0.254 4.424 4.170 -0.000 0.000 0.287 298 I C -0.365 175.764 176.117 0.020 0.000 1.023 298 I CA -0.827 60.478 61.300 0.007 0.000 1.083 298 I CB 1.486 39.436 38.000 -0.084 0.000 1.245 298 I HN 0.246 nan 8.210 nan 0.000 0.434 299 V N 5.708 125.630 119.914 0.013 0.000 2.581 299 V HA 0.441 4.561 4.120 -0.000 0.000 0.303 299 V C -0.750 175.336 176.094 -0.013 0.000 1.041 299 V CA -0.539 61.699 62.300 -0.104 0.000 0.907 299 V CB 2.132 33.695 31.823 -0.432 0.000 0.994 299 V HN 0.698 nan 8.190 nan 0.000 0.442 300 H N 4.414 123.417 119.070 -0.111 0.000 3.013 300 H HA 0.568 5.124 4.556 -0.000 0.000 0.326 300 H C -1.218 174.058 175.328 -0.088 0.000 0.973 300 H CA -0.898 55.142 56.048 -0.013 0.000 1.369 300 H CB 1.015 30.867 29.762 0.149 0.000 1.598 300 H HN 0.545 nan 8.280 nan 0.000 0.518 301 I N 4.797 125.344 120.570 -0.038 0.000 2.355 301 I HA 0.283 4.453 4.170 -0.000 0.000 0.288 301 I C -0.335 175.677 176.117 -0.175 0.000 0.999 301 I CA -0.360 60.846 61.300 -0.156 0.000 1.163 301 I CB 1.315 39.241 38.000 -0.122 0.000 1.316 301 I HN 0.471 nan 8.210 nan 0.000 0.454 302 D N 5.000 125.242 120.400 -0.263 0.000 2.661 302 D HA 0.283 4.923 4.640 -0.000 0.000 0.228 302 D C 0.336 176.548 176.300 -0.146 0.000 1.183 302 D CA -0.536 53.341 54.000 -0.205 0.000 0.844 302 D CB 2.986 43.601 40.800 -0.308 0.000 1.555 302 D HN 0.486 nan 8.370 nan 0.000 0.453 303 I N 1.189 121.697 120.570 -0.103 0.000 2.676 303 I HA -0.101 4.069 4.170 -0.000 0.000 0.259 303 I C 0.291 176.366 176.117 -0.069 0.000 1.194 303 I CA 0.867 62.111 61.300 -0.093 0.000 1.473 303 I CB 0.363 38.310 38.000 -0.087 0.000 1.096 303 I HN 0.229 nan 8.210 nan 0.000 0.443 304 E N 0.670 120.834 120.200 -0.061 0.000 2.113 304 E HA 0.239 4.589 4.350 -0.000 0.000 0.273 304 E C -1.877 174.699 176.600 -0.039 0.000 0.924 304 E CA -2.556 53.827 56.400 -0.028 0.000 0.764 304 E CB 1.343 31.036 29.700 -0.012 0.000 1.104 304 E HN -0.026 nan 8.360 nan 0.000 0.406 305 P HA -0.184 nan 4.420 nan 0.000 0.215 305 P C 0.827 178.119 177.300 -0.013 0.000 1.157 305 P CA 1.863 64.950 63.100 -0.021 0.000 0.874 305 P CB 0.040 31.742 31.700 0.005 0.000 0.790 306 T N -4.119 110.438 114.554 0.004 0.000 3.160 306 T HA -0.001 4.349 4.350 -0.000 0.000 0.257 306 T C 1.492 176.209 174.700 0.028 0.000 1.147 306 T CA 0.466 62.575 62.100 0.016 0.000 1.064 306 T CB -0.543 68.337 68.868 0.019 0.000 0.949 306 T HN 0.041 nan 8.240 nan 0.000 0.526 307 Q N 0.377 120.191 119.800 0.024 0.000 2.408 307 Q HA 0.346 4.686 4.340 -0.000 0.000 0.205 307 Q C 0.509 176.595 176.000 0.143 0.000 0.919 307 Q CA 0.220 56.065 55.803 0.070 0.000 0.932 307 Q CB 0.323 29.094 28.738 0.054 0.000 1.058 307 Q HN 0.638 nan 8.270 nan 0.000 0.517 308 I N 0.572 121.170 120.570 0.047 0.000 2.301 308 I HA 0.243 4.413 4.170 -0.000 0.000 0.292 308 I C 0.850 177.035 176.117 0.113 0.000 1.046 308 I CA 0.039 61.387 61.300 0.080 0.000 1.282 308 I CB 0.874 38.812 38.000 -0.103 0.000 1.409 308 I HN 0.229 nan 8.210 nan 0.000 0.484 309 G N 4.963 113.864 108.800 0.168 0.000 2.176 309 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.232 309 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.232 309 G C 1.131 176.068 174.900 0.063 0.000 0.986 309 G CA 0.260 45.411 45.100 0.084 0.000 0.643 309 G HN 0.650 nan 8.290 nan 0.000 0.522 310 R N -0.309 120.243 120.500 0.086 0.000 2.090 310 R HA 0.268 4.608 4.340 -0.000 0.000 0.228 310 R C 2.230 178.555 176.300 0.042 0.000 1.110 310 R CA 2.094 58.230 56.100 0.060 0.000 0.973 310 R CB -0.059 30.284 30.300 0.070 0.000 0.869 310 R HN 0.410 nan 8.270 nan 0.000 0.440 311 V N 0.764 120.705 119.914 0.045 0.000 3.013 311 V HA 0.183 4.303 4.120 -0.000 0.000 0.238 311 V C 0.150 176.225 176.094 -0.031 0.000 1.161 311 V CA 0.404 62.711 62.300 0.012 0.000 1.170 311 V CB 0.809 32.649 31.823 0.029 0.000 0.917 311 V HN 0.252 nan 8.190 nan 0.000 0.478 312 L N -1.993 119.194 121.223 -0.060 0.000 2.415 312 L HA 0.607 4.947 4.340 -0.000 0.000 0.256 312 L C -1.023 175.805 176.870 -0.070 0.000 1.010 312 L CA -0.532 54.246 54.840 -0.102 0.000 0.826 312 L CB 0.769 42.702 42.059 -0.209 0.000 1.405 312 L HN 0.041 nan 8.230 nan 0.000 0.410 313 C N 4.355 123.621 119.300 -0.056 0.000 2.281 313 C HA 0.700 5.160 4.460 -0.000 0.000 0.336 313 C C -1.708 173.259 174.990 -0.037 0.000 1.217 313 C CA -0.742 58.261 59.018 -0.025 0.000 1.730 313 C CB -0.061 27.669 27.740 -0.016 0.000 2.338 313 C HN 0.758 nan 8.230 nan 0.000 0.521 314 P HA 0.296 nan 4.420 nan 0.000 0.277 314 P C -0.009 177.291 177.300 0.001 0.000 1.240 314 P CA 0.056 63.154 63.100 -0.003 0.000 0.798 314 P CB 0.995 32.746 31.700 0.084 0.000 0.979 315 D N 0.027 120.425 120.400 -0.004 0.000 2.178 315 D HA -0.119 4.521 4.640 -0.000 0.000 0.202 315 D C 1.290 177.595 176.300 0.009 0.000 0.974 315 D CA 1.200 55.202 54.000 0.002 0.000 0.841 315 D CB 0.025 40.828 40.800 0.005 0.000 0.953 315 D HN 0.151 nan 8.370 nan 0.000 0.478 316 L N -1.018 120.212 121.223 0.010 0.000 3.087 316 L HA 0.419 4.759 4.340 -0.000 0.000 0.169 316 L C 0.114 176.984 176.870 0.000 0.000 1.276 316 L CA 1.445 56.287 54.840 0.004 0.000 0.865 316 L CB -0.436 41.622 42.059 -0.003 0.000 1.368 316 L HN 0.135 nan 8.230 nan 0.000 0.548 317 G N 1.575 110.373 108.800 -0.003 0.000 3.445 317 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.634 317 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.634 317 G C -0.751 174.112 174.900 -0.061 0.000 0.909 317 G CA 0.202 45.290 45.100 -0.020 0.000 0.740 317 G HN 0.402 nan 8.290 nan 0.000 0.441 318 I N 1.814 122.321 120.570 -0.105 0.000 2.533 318 I HA 0.391 4.561 4.170 -0.000 0.000 0.290 318 I C 0.407 176.452 176.117 -0.121 0.000 1.056 318 I CA -1.334 59.910 61.300 -0.092 0.000 1.057 318 I CB 2.361 40.313 38.000 -0.079 0.000 1.240 318 I HN 0.284 nan 8.210 nan 0.000 0.423 319 V N 4.695 124.555 119.914 -0.089 0.000 2.389 319 V HA 0.481 4.601 4.120 -0.000 0.000 0.264 319 V C 0.109 176.154 176.094 -0.082 0.000 1.049 319 V CA 0.170 62.416 62.300 -0.089 0.000 0.932 319 V CB 0.773 32.564 31.823 -0.055 0.000 1.011 319 V HN 0.789 nan 8.190 nan 0.000 0.475 320 S N 2.996 118.637 115.700 -0.098 0.000 2.558 320 S HA 0.274 4.744 4.470 -0.000 0.000 0.277 320 S C -1.151 173.389 174.600 -0.100 0.000 1.143 320 S CA -0.862 57.282 58.200 -0.094 0.000 0.865 320 S CB 1.630 64.782 63.200 -0.080 0.000 1.102 320 S HN 0.923 nan 8.310 nan 0.000 0.454 321 D N 2.391 122.727 120.400 -0.107 0.000 2.472 321 D HA 0.453 5.093 4.640 -0.000 0.000 0.237 321 D C 1.225 177.482 176.300 -0.072 0.000 1.141 321 D CA 0.702 54.646 54.000 -0.094 0.000 0.875 321 D CB 1.100 41.839 40.800 -0.103 0.000 1.192 321 D HN 0.600 nan 8.370 nan 0.000 0.450 322 A N 3.911 126.697 122.820 -0.058 0.000 1.968 322 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 322 A C 1.972 179.531 177.584 -0.040 0.000 1.169 322 A CA 1.310 53.320 52.037 -0.045 0.000 0.638 322 A CB -0.413 18.569 19.000 -0.030 0.000 0.812 322 A HN 0.687 nan 8.150 nan 0.000 0.446 323 K N -0.224 120.154 120.400 -0.037 0.000 2.031 323 K HA 0.009 4.329 4.320 -0.000 0.000 0.205 323 K C 2.168 178.747 176.600 -0.036 0.000 1.049 323 K CA 1.073 57.343 56.287 -0.029 0.000 0.939 323 K CB -0.303 32.183 32.500 -0.022 0.000 0.717 323 K HN 0.332 nan 8.250 nan 0.000 0.438 324 A N 1.020 123.814 122.820 -0.044 0.000 1.902 324 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 324 A C 2.314 179.868 177.584 -0.051 0.000 1.181 324 A CA 1.938 53.949 52.037 -0.044 0.000 0.623 324 A CB -0.862 18.107 19.000 -0.051 0.000 0.818 324 A HN 0.468 nan 8.150 nan 0.000 0.443 325 A N -0.529 122.255 122.820 -0.061 0.000 1.898 325 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 325 A C 2.158 179.678 177.584 -0.106 0.000 1.181 325 A CA 1.442 53.435 52.037 -0.073 0.000 0.620 325 A CB -0.539 18.418 19.000 -0.072 0.000 0.819 325 A HN 0.458 nan 8.150 nan 0.000 0.442 326 L N -0.790 120.372 121.223 -0.102 0.000 2.156 326 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 326 L C 2.717 179.531 176.870 -0.094 0.000 1.095 326 L CA 1.464 56.222 54.840 -0.137 0.000 0.770 326 L CB -0.588 41.428 42.059 -0.073 0.000 0.914 326 L HN 0.343 nan 8.230 nan 0.000 0.439 327 T N 0.078 114.600 114.554 -0.053 0.000 2.684 327 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 327 T C 1.936 176.619 174.700 -0.029 0.000 1.036 327 T CA 1.021 63.105 62.100 -0.027 0.000 1.148 327 T CB -0.075 68.782 68.868 -0.018 0.000 0.863 327 T HN 0.079 nan 8.240 nan 0.000 0.436 328 L N 0.518 121.714 121.223 -0.044 0.000 2.017 328 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 328 L C 2.485 179.325 176.870 -0.050 0.000 1.073 328 L CA 1.535 56.353 54.840 -0.036 0.000 0.745 328 L CB -1.260 40.778 42.059 -0.035 0.000 0.894 328 L HN 0.329 nan 8.230 nan 0.000 0.432 329 L N -1.200 119.939 121.223 -0.140 0.000 2.042 329 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 329 L C 2.572 179.427 176.870 -0.024 0.000 1.076 329 L CA 0.755 55.437 54.840 -0.265 0.000 0.749 329 L CB -0.511 41.025 42.059 -0.872 0.000 0.893 329 L HN 0.039 nan 8.230 nan 0.000 0.432 330 V N -0.290 119.639 119.914 0.026 0.000 2.295 330 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 330 V C 2.520 178.675 176.094 0.101 0.000 1.049 330 V CA 1.987 64.376 62.300 0.148 0.000 1.024 330 V CB -0.415 31.467 31.823 0.099 0.000 0.648 330 V HN 0.457 nan 8.190 nan 0.000 0.447 331 E N 0.435 120.667 120.200 0.053 0.000 2.058 331 E HA -0.187 4.163 4.350 -0.000 0.000 0.194 331 E C 2.007 178.637 176.600 0.050 0.000 0.997 331 E CA 1.900 58.325 56.400 0.042 0.000 0.801 331 E CB -0.423 29.291 29.700 0.023 0.000 0.746 331 E HN 0.347 nan 8.360 nan 0.000 0.450 332 V N 0.788 120.735 119.914 0.055 0.000 2.427 332 V HA -0.188 3.932 4.120 -0.000 0.000 0.248 332 V C 2.384 178.529 176.094 0.085 0.000 1.051 332 V CA 1.634 63.972 62.300 0.063 0.000 1.048 332 V CB -0.939 30.920 31.823 0.060 0.000 0.666 332 V HN 0.458 nan 8.190 nan 0.000 0.456 333 A N -0.624 122.277 122.820 0.135 0.000 1.908 333 A HA -0.311 4.009 4.320 -0.000 0.000 0.218 333 A C 2.178 179.802 177.584 0.067 0.000 1.181 333 A CA 2.062 54.175 52.037 0.125 0.000 0.627 333 A CB -0.516 18.602 19.000 0.196 0.000 0.818 333 A HN 0.610 nan 8.150 nan 0.000 0.445 334 Q N -0.008 119.832 119.800 0.066 0.000 2.124 334 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 334 Q C 0.634 176.654 176.000 0.032 0.000 0.977 334 Q CA 0.968 56.797 55.803 0.043 0.000 0.850 334 Q CB -0.074 28.689 28.738 0.042 0.000 0.901 334 Q HN 0.769 nan 8.270 nan 0.000 0.429 338 K N 0.902 121.308 120.400 0.011 0.000 2.097 338 K HA 0.133 4.453 4.320 -0.000 0.000 0.205 338 K C 0.969 177.574 176.600 0.008 0.000 1.050 338 K CA 0.945 57.238 56.287 0.010 0.000 0.938 338 K CB 0.107 32.614 32.500 0.012 0.000 0.718 338 K HN 0.239 nan 8.250 nan 0.000 0.442 339 A N 0.467 123.293 122.820 0.009 0.000 2.251 339 A HA 0.384 4.703 4.320 -0.000 0.000 0.278 339 A C 0.872 178.459 177.584 0.005 0.000 1.206 339 A CA 0.142 52.184 52.037 0.008 0.000 0.822 339 A CB 0.145 19.151 19.000 0.009 0.000 1.187 339 A HN 0.316 nan 8.150 nan 0.000 0.504 340 G N -1.045 107.758 108.800 0.004 0.000 3.782 340 G HA2 0.363 4.323 3.960 -0.000 0.000 0.288 340 G HA3 0.363 4.323 3.960 -0.000 0.000 0.288 340 G C 0.656 175.556 174.900 0.001 0.000 1.300 340 G CA -0.299 44.802 45.100 0.002 0.000 1.261 340 G HN 0.625 nan 8.290 nan 0.000 0.591 341 R N -0.624 119.878 120.500 0.002 0.000 2.335 341 R HA 0.249 4.589 4.340 -0.000 0.000 0.210 341 R C 0.247 176.546 176.300 -0.003 0.000 0.892 341 R CA -0.213 55.888 56.100 0.002 0.000 1.048 341 R CB 0.452 30.756 30.300 0.007 0.000 1.067 341 R HN 0.273 nan 8.270 nan 0.000 0.524 342 L N 4.008 125.227 121.223 -0.008 0.000 2.278 342 L HA 0.278 4.618 4.340 -0.000 0.000 0.287 342 L C -1.918 174.940 176.870 -0.019 0.000 1.072 342 L CA -1.942 52.886 54.840 -0.019 0.000 0.819 342 L CB 0.640 42.682 42.059 -0.028 0.000 1.176 342 L HN -0.161 nan 8.230 nan 0.000 0.435 343 P HA 0.035 nan 4.420 nan 0.000 0.272 343 P C -0.504 176.789 177.300 -0.012 0.000 1.223 343 P CA -0.612 62.479 63.100 -0.015 0.000 0.784 343 P CB 0.744 32.434 31.700 -0.018 0.000 0.923 344 C N 2.812 122.110 119.300 -0.003 0.000 2.585 344 C HA 0.258 4.718 4.460 -0.000 0.000 0.406 344 C C 1.203 176.205 174.990 0.021 0.000 1.312 344 C CA -0.373 58.648 59.018 0.005 0.000 1.924 344 C CB -1.114 26.630 27.740 0.006 0.000 2.578 344 C HN 0.510 nan 8.230 nan 0.000 0.580 345 R N 3.415 123.936 120.500 0.035 0.000 2.662 345 R HA 0.088 4.428 4.340 -0.000 0.000 0.396 345 R C 1.303 177.659 176.300 0.092 0.000 1.096 345 R CA -0.373 55.777 56.100 0.084 0.000 1.081 345 R CB 0.164 30.528 30.300 0.107 0.000 1.382 345 R HN 0.621 nan 8.270 nan 0.000 0.580 346 K N 1.792 122.224 120.400 0.053 0.000 2.032 346 K HA -0.153 4.167 4.320 -0.000 0.000 0.209 346 K C 1.761 178.386 176.600 0.042 0.000 1.048 346 K CA 1.565 57.871 56.287 0.033 0.000 0.927 346 K CB 0.191 32.703 32.500 0.019 0.000 0.712 346 K HN 0.105 nan 8.250 nan 0.000 0.441 347 E N -0.618 119.625 120.200 0.072 0.000 2.051 347 E HA -0.218 4.132 4.350 -0.000 0.000 0.192 347 E C 1.824 178.502 176.600 0.130 0.000 0.991 347 E CA 1.214 57.665 56.400 0.085 0.000 0.799 347 E CB -0.390 29.368 29.700 0.096 0.000 0.748 347 E HN 0.548 nan 8.360 nan 0.000 0.449 348 W N 1.396 122.687 121.300 -0.015 0.000 2.358 348 W HA -0.181 4.479 4.660 -0.000 0.000 0.303 348 W C 1.823 178.334 176.519 -0.014 0.000 1.208 348 W CA 1.016 58.352 57.345 -0.015 0.000 1.274 348 W CB -0.076 29.373 29.460 -0.017 0.000 1.138 348 W HN -0.143 nan 8.180 nan 0.000 0.515 349 V N 1.948 121.777 119.914 -0.141 0.000 2.332 349 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 349 V C 2.730 178.688 176.094 -0.227 0.000 1.055 349 V CA 2.264 64.419 62.300 -0.242 0.000 1.038 349 V CB -1.610 30.162 31.823 -0.085 0.000 0.651 349 V HN 0.312 nan 8.190 nan 0.000 0.450 350 A N 1.493 124.235 122.820 -0.130 0.000 1.858 350 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 350 A C 1.929 179.430 177.584 -0.138 0.000 1.190 350 A CA 2.169 54.144 52.037 -0.103 0.000 0.617 350 A CB -0.815 18.157 19.000 -0.047 0.000 0.827 350 A HN 0.751 nan 8.150 nan 0.000 0.443 351 D N -1.270 119.042 120.400 -0.146 0.000 2.312 351 D HA -0.079 4.561 4.640 -0.000 0.000 0.211 351 D C 1.541 177.691 176.300 -0.249 0.000 0.964 351 D CA 0.987 54.902 54.000 -0.141 0.000 0.877 351 D CB -0.785 39.986 40.800 -0.048 0.000 0.924 351 D HN 0.320 nan 8.370 nan 0.000 0.515 352 C N 0.336 119.375 119.300 -0.435 0.000 2.429 352 C HA -0.093 4.367 4.460 -0.000 0.000 0.277 352 C C 2.621 177.446 174.990 -0.275 0.000 1.262 352 C CA 0.793 59.545 59.018 -0.443 0.000 1.733 352 C CB -0.954 26.417 27.740 -0.615 0.000 2.010 352 C HN 0.415 nan 8.230 nan 0.000 0.483 353 Q N -0.139 119.515 119.800 -0.244 0.000 2.167 353 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 353 Q C 2.437 178.329 176.000 -0.180 0.000 0.970 353 Q CA 1.134 56.812 55.803 -0.207 0.000 0.855 353 Q CB -0.152 28.490 28.738 -0.160 0.000 0.911 353 Q HN 0.680 nan 8.270 nan 0.000 0.438 354 Q N 0.456 120.172 119.800 -0.139 0.000 2.084 354 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 354 Q C 2.007 177.953 176.000 -0.089 0.000 0.978 354 Q CA 1.244 56.992 55.803 -0.092 0.000 0.844 354 Q CB -0.188 28.512 28.738 -0.063 0.000 0.898 354 Q HN 0.377 nan 8.270 nan 0.000 0.426 355 R N 0.797 121.238 120.500 -0.098 0.000 2.081 355 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 355 R C 2.308 178.538 176.300 -0.116 0.000 1.131 355 R CA 1.285 57.354 56.100 -0.050 0.000 0.960 355 R CB -0.192 30.102 30.300 -0.010 0.000 0.856 355 R HN 0.126 nan 8.270 nan 0.000 0.436 356 K N 1.217 121.427 120.400 -0.316 0.000 2.280 356 K HA -0.150 4.170 4.320 -0.000 0.000 0.202 356 K C 1.667 177.897 176.600 -0.617 0.000 1.047 356 K CA 1.266 57.061 56.287 -0.820 0.000 0.942 356 K CB 0.139 32.179 32.500 -0.766 0.000 0.739 356 K HN 0.147 nan 8.250 nan 0.000 0.457 357 R N -0.756 119.576 120.500 -0.280 0.000 2.509 357 R HA 0.090 4.430 4.340 -0.000 0.000 0.300 357 R C 0.394 176.740 176.300 0.076 0.000 0.985 357 R CA 0.595 56.638 56.100 -0.095 0.000 1.092 357 R CB 0.495 30.800 30.300 0.008 0.000 1.237 357 R HN 0.069 nan 8.270 nan 0.000 0.546 358 T N -2.379 112.191 114.554 0.026 0.000 2.980 358 T HA 0.276 4.626 4.350 -0.000 0.000 0.252 358 T C 0.733 175.484 174.700 0.086 0.000 0.962 358 T CA -0.351 61.789 62.100 0.067 0.000 0.932 358 T CB 0.157 69.048 68.868 0.040 0.000 1.188 358 T HN 0.071 nan 8.240 nan 0.000 0.500 359 L N 2.913 124.199 121.223 0.106 0.000 2.512 359 L HA 0.529 4.869 4.340 -0.000 0.000 0.247 359 L C -0.578 176.422 176.870 0.216 0.000 1.204 359 L CA -0.406 54.522 54.840 0.147 0.000 1.153 359 L CB -0.170 41.982 42.059 0.156 0.000 1.415 359 L HN 0.152 nan 8.230 nan 0.000 0.406 360 L N 0.739 122.066 121.223 0.174 0.000 2.298 360 L HA 0.660 5.000 4.340 -0.000 0.000 0.268 360 L C 0.067 177.033 176.870 0.158 0.000 1.010 360 L CA -0.983 53.975 54.840 0.196 0.000 0.812 360 L CB 1.599 43.779 42.059 0.202 0.000 1.331 360 L HN 0.346 nan 8.230 nan 0.000 0.450 361 R N 0.470 121.073 120.500 0.172 0.000 2.599 361 R HA 0.358 4.698 4.340 -0.000 0.000 0.295 361 R C -0.929 175.478 176.300 0.179 0.000 0.963 361 R CA -0.979 55.220 56.100 0.165 0.000 0.883 361 R CB 2.370 32.768 30.300 0.164 0.000 1.171 361 R HN 0.408 nan 8.270 nan 0.000 0.450 362 K N 1.124 121.624 120.400 0.166 0.000 2.412 362 K HA 0.003 4.323 4.320 -0.000 0.000 0.281 362 K C 0.512 177.220 176.600 0.180 0.000 1.027 362 K CA 0.479 56.816 56.287 0.083 0.000 0.989 362 K CB 0.681 33.137 32.500 -0.074 0.000 0.935 362 K HN 0.774 nan 8.250 nan 0.000 0.475 363 T N -0.128 114.497 114.554 0.119 0.000 2.954 363 T HA -0.002 4.348 4.350 -0.000 0.000 0.252 363 T C 0.493 175.292 174.700 0.166 0.000 0.983 363 T CA -0.038 62.209 62.100 0.245 0.000 0.941 363 T CB -0.237 68.797 68.868 0.276 0.000 1.141 363 T HN 0.697 nan 8.240 nan 0.000 0.500 364 H N 0.989 119.991 119.070 -0.113 0.000 2.923 364 H HA 0.501 5.057 4.556 -0.000 0.000 0.251 364 H C -1.312 173.886 175.328 -0.218 0.000 1.741 364 H CA -1.095 54.900 56.048 -0.090 0.000 1.387 364 H CB -1.118 28.605 29.762 -0.066 0.000 1.740 364 H HN 0.251 nan 8.280 nan 0.000 0.544 365 F N 1.691 121.587 119.950 -0.089 0.000 2.420 365 F HA 0.165 4.692 4.527 -0.000 0.000 0.342 365 F C 0.926 176.639 175.800 -0.145 0.000 1.113 365 F CA -0.694 57.266 58.000 -0.068 0.000 1.059 365 F CB 1.464 40.460 39.000 -0.006 0.000 1.128 365 F HN 0.408 nan 8.300 nan 0.000 0.475 366 D N 1.485 121.927 120.400 0.070 0.000 2.340 366 D HA 0.032 4.672 4.640 -0.000 0.000 0.217 366 D C -0.065 176.269 176.300 0.057 0.000 1.081 366 D CA 0.182 54.190 54.000 0.014 0.000 0.842 366 D CB -0.222 40.583 40.800 0.008 0.000 0.934 366 D HN 0.437 nan 8.370 nan 0.000 0.511 367 N N -0.214 118.548 118.700 0.103 0.000 2.395 367 N HA 0.106 4.846 4.740 -0.000 0.000 0.246 367 N C -0.464 175.070 175.510 0.040 0.000 1.246 367 N CA 0.293 53.383 53.050 0.068 0.000 0.879 367 N CB 1.064 39.579 38.487 0.047 0.000 1.098 367 N HN -0.237 nan 8.380 nan 0.000 0.444 368 V N 2.241 122.177 119.914 0.037 0.000 2.525 368 V HA 0.391 4.511 4.120 -0.000 0.000 0.299 368 V C -1.852 174.269 176.094 0.044 0.000 1.034 368 V CA -1.312 61.012 62.300 0.040 0.000 0.863 368 V CB 1.465 33.312 31.823 0.039 0.000 0.999 368 V HN 0.726 nan 8.190 nan 0.000 0.423 369 P HA 0.290 nan 4.420 nan 0.000 0.272 369 P C -0.368 176.948 177.300 0.028 0.000 1.230 369 P CA -0.189 62.948 63.100 0.062 0.000 0.788 369 P CB 0.810 32.572 31.700 0.103 0.000 0.949 370 V N 2.232 122.153 119.914 0.012 0.000 2.655 370 V HA 0.023 4.143 4.120 -0.000 0.000 0.300 370 V C 1.099 177.169 176.094 -0.039 0.000 1.044 370 V CA 0.046 62.337 62.300 -0.014 0.000 1.095 370 V CB -0.125 31.676 31.823 -0.036 0.000 0.952 370 V HN 0.473 nan 8.190 nan 0.000 0.485 371 K N 7.104 127.463 120.400 -0.067 0.000 2.205 371 K HA 0.258 4.578 4.320 -0.000 0.000 0.279 371 K C -1.468 175.090 176.600 -0.071 0.000 1.027 371 K CA -1.513 54.693 56.287 -0.135 0.000 0.932 371 K CB 1.281 33.552 32.500 -0.382 0.000 1.032 371 K HN 0.411 nan 8.250 nan 0.000 0.466 372 P HA -0.237 nan 4.420 nan 0.000 0.218 372 P C 0.877 178.097 177.300 -0.134 0.000 1.149 372 P CA 1.329 64.373 63.100 -0.093 0.000 0.817 372 P CB 0.230 31.947 31.700 0.028 0.000 0.785 373 Q N 0.127 119.998 119.800 0.118 0.000 2.291 373 Q HA -0.149 4.191 4.340 -0.000 0.000 0.205 373 Q C 2.058 178.210 176.000 0.253 0.000 0.970 373 Q CA 1.181 57.176 55.803 0.320 0.000 0.876 373 Q CB -0.858 28.115 28.738 0.393 0.000 0.935 373 Q HN 0.122 nan 8.270 nan 0.000 0.455 374 R N 1.480 122.085 120.500 0.175 0.000 2.148 374 R HA -0.010 4.330 4.340 -0.000 0.000 0.227 374 R C 2.074 178.404 176.300 0.050 0.000 1.103 374 R CA 1.005 57.188 56.100 0.137 0.000 0.983 374 R CB -0.677 29.691 30.300 0.113 0.000 0.874 374 R HN 0.156 nan 8.270 nan 0.000 0.451 375 V N 0.160 120.007 119.914 -0.112 0.000 2.343 375 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 375 V C 1.738 177.811 176.094 -0.035 0.000 1.051 375 V CA 1.924 64.137 62.300 -0.145 0.000 1.036 375 V CB -0.678 30.933 31.823 -0.354 0.000 0.654 375 V HN 0.324 nan 8.190 nan 0.000 0.451 376 Y N 0.455 120.871 120.300 0.192 0.000 2.314 376 Y HA -0.169 4.381 4.550 -0.000 0.000 0.293 376 Y C 2.630 178.658 175.900 0.214 0.000 1.129 376 Y CA 1.361 59.566 58.100 0.175 0.000 1.201 376 Y CB -0.276 38.259 38.460 0.124 0.000 0.999 376 Y HN 0.303 nan 8.280 nan 0.000 0.541 377 E N 0.929 121.328 120.200 0.333 0.000 2.058 377 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 377 E C 0.663 177.429 176.600 0.276 0.000 0.997 377 E CA 0.873 57.454 56.400 0.302 0.000 0.801 377 E CB 0.059 29.923 29.700 0.273 0.000 0.746 377 E HN 0.315 nan 8.360 nan 0.000 0.450 381 K N 1.492 121.984 120.400 0.154 0.000 2.057 381 K HA 0.185 4.505 4.320 -0.000 0.000 0.206 381 K C 1.888 178.479 176.600 -0.015 0.000 1.050 381 K CA 1.541 57.853 56.287 0.041 0.000 0.935 381 K CB 0.026 32.567 32.500 0.068 0.000 0.715 381 K HN 0.184 nan 8.250 nan 0.000 0.439 382 A N 0.728 123.487 122.820 -0.102 0.000 1.970 382 A HA 0.064 4.384 4.320 -0.000 0.000 0.216 382 A C 0.608 177.920 177.584 -0.453 0.000 1.170 382 A CA 0.661 52.493 52.037 -0.342 0.000 0.645 382 A CB -0.097 18.550 19.000 -0.588 0.000 0.816 382 A HN 0.104 nan 8.150 nan 0.000 0.447 383 F N -0.951 119.027 119.950 0.047 0.000 2.470 383 F HA 0.573 5.100 4.527 -0.000 0.000 0.329 383 F C 1.236 177.090 175.800 0.090 0.000 1.072 383 F CA -0.644 57.383 58.000 0.046 0.000 0.989 383 F CB 1.181 40.200 39.000 0.031 0.000 1.193 383 F HN 0.141 nan 8.300 nan 0.000 0.481 384 G N 0.654 109.612 108.800 0.264 0.000 2.653 384 G HA2 0.181 4.141 3.960 -0.000 0.000 0.265 384 G HA3 0.181 4.141 3.960 -0.000 0.000 0.265 384 G C 0.830 175.842 174.900 0.188 0.000 1.237 384 G CA -0.654 44.545 45.100 0.164 0.000 0.946 384 G HN 0.857 nan 8.290 nan 0.000 0.522 385 R N -1.019 119.532 120.500 0.085 0.000 2.189 385 R HA -0.059 4.281 4.340 -0.000 0.000 0.218 385 R C 1.089 177.465 176.300 0.126 0.000 1.074 385 R CA 1.759 57.861 56.100 0.004 0.000 0.991 385 R CB -0.166 29.935 30.300 -0.331 0.000 0.883 385 R HN 0.508 nan 8.270 nan 0.000 0.457 386 D N 1.083 121.550 120.400 0.112 0.000 2.336 386 D HA -0.042 4.598 4.640 -0.000 0.000 0.229 386 D C 0.568 176.989 176.300 0.201 0.000 1.061 386 D CA -0.220 53.890 54.000 0.184 0.000 0.875 386 D CB -0.109 40.770 40.800 0.133 0.000 0.904 386 D HN 0.072 nan 8.370 nan 0.000 0.525 387 V N 0.321 120.283 119.914 0.081 0.000 2.901 387 V HA -0.010 4.110 4.120 -0.000 0.000 0.307 387 V C -0.162 175.733 176.094 -0.333 0.000 1.084 387 V CA -0.277 61.897 62.300 -0.209 0.000 1.184 387 V CB 0.990 32.589 31.823 -0.373 0.000 0.941 387 V HN 0.541 nan 8.190 nan 0.000 0.493 388 C N 7.734 126.687 119.300 -0.578 0.000 2.356 388 C HA 0.582 5.042 4.460 -0.000 0.000 0.324 388 C C -0.553 174.132 174.990 -0.509 0.000 1.167 388 C CA -0.994 57.678 59.018 -0.578 0.000 1.420 388 C CB -0.534 26.816 27.740 -0.651 0.000 2.036 388 C HN 0.857 nan 8.230 nan 0.000 0.435 389 Y N 4.176 124.361 120.300 -0.191 0.000 2.308 389 Y HA 0.574 5.124 4.550 -0.000 0.000 0.329 389 Y C 0.456 176.088 175.900 -0.448 0.000 1.111 389 Y CA -0.615 57.326 58.100 -0.264 0.000 1.179 389 Y CB 1.270 39.659 38.460 -0.119 0.000 1.201 389 Y HN 0.394 nan 8.280 nan 0.000 0.483 390 V N 2.863 122.631 119.914 -0.243 0.000 2.487 390 V HA 0.605 4.725 4.120 -0.000 0.000 0.298 390 V C -0.180 175.750 176.094 -0.273 0.000 1.028 390 V CA -0.467 61.650 62.300 -0.305 0.000 0.860 390 V CB 1.725 33.378 31.823 -0.284 0.000 0.991 390 V HN 0.912 nan 8.190 nan 0.000 0.427 391 T N 2.382 116.776 114.554 -0.266 0.000 2.739 391 T HA 0.559 4.909 4.350 -0.000 0.000 0.303 391 T C 0.127 174.799 174.700 -0.047 0.000 1.389 391 T CA 0.504 62.516 62.100 -0.147 0.000 1.001 391 T CB 2.272 71.009 68.868 -0.219 0.000 1.436 391 T HN 0.682 nan 8.240 nan 0.000 0.500 392 T N 0.725 115.266 114.554 -0.020 0.000 3.426 392 T HA 0.588 4.938 4.350 -0.000 0.000 0.195 392 T C -0.479 174.160 174.700 -0.101 0.000 0.963 392 T CA -0.135 61.910 62.100 -0.091 0.000 1.154 392 T CB 0.099 68.962 68.868 -0.008 0.000 1.377 392 T HN 0.615 nan 8.240 nan 0.000 0.342 393 I N -0.150 120.393 120.570 -0.045 0.000 2.908 393 I HA 0.563 4.733 4.170 -0.000 0.000 0.300 393 I C -1.382 174.749 176.117 0.023 0.000 1.385 393 I CA 0.110 61.392 61.300 -0.029 0.000 1.004 393 I CB 1.957 39.916 38.000 -0.069 0.000 1.309 393 I HN 0.758 nan 8.210 nan 0.000 0.449 394 G N 4.330 113.151 108.800 0.035 0.000 2.353 394 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.424 394 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.424 394 G C -0.159 174.777 174.900 0.060 0.000 1.320 394 G CA -0.423 44.714 45.100 0.062 0.000 0.995 394 G HN 0.679 nan 8.290 nan 0.000 0.580 395 L N 0.942 122.204 121.223 0.065 0.000 2.131 395 L HA -0.088 4.252 4.340 -0.000 0.000 0.210 395 L C 3.291 180.230 176.870 0.115 0.000 1.092 395 L CA 2.221 57.101 54.840 0.067 0.000 0.759 395 L CB -0.668 41.422 42.059 0.050 0.000 0.903 395 L HN 0.822 nan 8.230 nan 0.000 0.435 396 S N 1.098 116.885 115.700 0.146 0.000 2.359 396 S HA -0.327 4.143 4.470 -0.000 0.000 0.223 396 S C 1.872 176.572 174.600 0.168 0.000 1.039 396 S CA 1.708 60.037 58.200 0.214 0.000 1.042 396 S CB -0.607 62.706 63.200 0.188 0.000 0.915 396 S HN 0.629 nan 8.310 nan 0.000 0.439 397 Q N 1.095 120.959 119.800 0.106 0.000 2.269 397 Q HA 0.286 4.626 4.340 -0.000 0.000 0.201 397 Q C 1.954 177.988 176.000 0.058 0.000 0.946 397 Q CA 0.900 56.763 55.803 0.099 0.000 0.877 397 Q CB -0.755 28.043 28.738 0.101 0.000 0.963 397 Q HN 0.627 nan 8.270 nan 0.000 0.472 398 I N 1.211 121.790 120.570 0.014 0.000 2.142 398 I HA -0.237 3.933 4.170 -0.000 0.000 0.240 398 I C 2.431 178.478 176.117 -0.116 0.000 1.078 398 I CA 1.247 62.523 61.300 -0.040 0.000 1.343 398 I CB -0.531 37.454 38.000 -0.024 0.000 1.046 398 I HN 0.420 nan 8.210 nan 0.000 0.405 399 A N 0.605 123.358 122.820 -0.113 0.000 1.933 399 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 399 A C 2.514 179.716 177.584 -0.636 0.000 1.175 399 A CA 1.733 53.644 52.037 -0.210 0.000 0.628 399 A CB -0.788 18.240 19.000 0.046 0.000 0.814 399 A HN 0.447 nan 8.150 nan 0.000 0.444 400 A N -0.015 122.334 122.820 -0.786 0.000 1.902 400 A HA 0.138 4.458 4.320 -0.000 0.000 0.217 400 A C 2.493 179.908 177.584 -0.282 0.000 1.181 400 A CA 2.092 53.668 52.037 -0.767 0.000 0.623 400 A CB -1.009 17.855 19.000 -0.227 0.000 0.818 400 A HN 1.076 nan 8.150 nan 0.000 0.443 401 A N -0.177 122.549 122.820 -0.157 0.000 1.969 401 A HA -0.017 4.303 4.320 -0.000 0.000 0.218 401 A C 1.595 178.858 177.584 -0.534 0.000 1.169 401 A CA 1.296 53.130 52.037 -0.338 0.000 0.635 401 A CB -0.492 18.343 19.000 -0.275 0.000 0.810 401 A HN 0.832 nan 8.150 nan 0.000 0.445 405 H N 0.397 119.572 119.070 0.175 0.000 2.717 405 H HA 0.754 5.310 4.556 -0.000 0.000 0.366 405 H C -1.295 173.810 175.328 -0.373 0.000 1.132 405 H CA -0.546 55.435 56.048 -0.113 0.000 1.180 405 H CB 2.868 32.443 29.762 -0.311 0.000 1.678 405 H HN 0.185 nan 8.280 nan 0.000 0.537 406 V N 2.887 122.374 119.914 -0.713 0.000 2.876 406 V HA 0.254 4.374 4.120 -0.000 0.000 0.312 406 V C -0.514 175.004 176.094 -0.960 0.000 1.085 406 V CA -0.416 61.458 62.300 -0.709 0.000 0.945 406 V CB 2.016 33.275 31.823 -0.940 0.000 1.017 406 V HN 0.701 nan 8.190 nan 0.000 0.428 407 F N 2.044 121.888 119.950 -0.178 0.000 2.825 407 F HA 0.519 5.046 4.527 -0.000 0.000 0.322 407 F C 0.378 176.051 175.800 -0.212 0.000 1.127 407 F CA -0.217 57.685 58.000 -0.164 0.000 1.164 407 F CB 0.678 39.593 39.000 -0.142 0.000 1.101 407 F HN 0.324 nan 8.300 nan 0.000 0.529 408 K N 0.957 121.241 120.400 -0.194 0.000 2.579 408 K HA 0.161 4.481 4.320 -0.000 0.000 0.284 408 K C -1.657 174.838 176.600 -0.175 0.000 0.990 408 K CA -0.845 55.285 56.287 -0.261 0.000 0.880 408 K CB 1.619 33.778 32.500 -0.569 0.000 1.488 408 K HN 0.036 nan 8.250 nan 0.000 0.425 409 D N 2.320 122.675 120.400 -0.076 0.000 2.345 409 D HA 0.124 4.764 4.640 -0.000 0.000 0.247 409 D C -0.518 175.837 176.300 0.092 0.000 1.108 409 D CA 0.036 54.044 54.000 0.014 0.000 0.894 409 D CB 0.956 41.769 40.800 0.022 0.000 1.203 409 D HN 0.701 nan 8.370 nan 0.000 0.430 410 R N 0.473 121.040 120.500 0.112 0.000 3.776 410 R HA -0.178 4.162 4.340 -0.000 0.000 0.312 410 R C 0.255 176.656 176.300 0.167 0.000 1.181 410 R CA 0.723 56.893 56.100 0.118 0.000 0.836 410 R CB -2.527 27.818 30.300 0.074 0.000 1.324 410 R HN 0.701 nan 8.270 nan 0.000 0.501 411 H N -1.753 117.295 119.070 -0.037 0.000 2.542 411 H HA 0.072 4.628 4.556 -0.000 0.000 0.283 411 H C -0.146 175.177 175.328 -0.009 0.000 1.059 411 H CA -0.110 55.893 56.048 -0.075 0.000 1.162 411 H CB 0.554 30.255 29.762 -0.102 0.000 1.539 411 H HN 0.278 nan 8.280 nan 0.000 0.543 412 W N 2.555 123.796 121.300 -0.098 0.000 2.517 412 W HA 0.272 4.932 4.660 -0.000 0.000 0.301 412 W C -1.801 174.720 176.519 0.003 0.000 1.002 412 W CA -0.668 56.621 57.345 -0.093 0.000 1.415 412 W CB 0.761 30.108 29.460 -0.189 0.000 1.275 412 W HN -0.087 nan 8.180 nan 0.000 0.413 413 I N 5.781 126.157 120.570 -0.324 0.000 2.306 413 I HA 0.199 4.369 4.170 -0.000 0.000 0.288 413 I C -0.321 175.659 176.117 -0.230 0.000 1.036 413 I CA -0.352 60.845 61.300 -0.171 0.000 1.221 413 I CB 0.509 38.440 38.000 -0.114 0.000 1.385 413 I HN 0.390 nan 8.210 nan 0.000 0.472 414 N N 5.674 124.261 118.700 -0.189 0.000 2.425 414 N HA 0.242 4.982 4.740 -0.000 0.000 0.289 414 N C -0.586 174.661 175.510 -0.437 0.000 1.074 414 N CA -0.566 52.292 53.050 -0.320 0.000 0.905 414 N CB 1.628 39.962 38.487 -0.254 0.000 1.586 414 N HN 0.575 nan 8.380 nan 0.000 0.490 415 C N 2.323 121.031 119.300 -0.986 0.000 2.485 415 C HA 0.542 5.002 4.460 -0.000 0.000 0.408 415 C C 1.856 176.521 174.990 -0.541 0.000 1.034 415 C CA -0.479 57.958 59.018 -0.970 0.000 1.267 415 C CB -1.237 25.474 27.740 -1.715 0.000 1.703 415 C HN 0.721 nan 8.230 nan 0.000 0.530 416 G N 1.711 110.324 108.800 -0.311 0.000 2.443 416 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.219 416 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.219 416 G C 1.609 176.402 174.900 -0.180 0.000 1.131 416 G CA 1.075 46.068 45.100 -0.179 0.000 0.775 416 G HN 0.664 nan 8.290 nan 0.000 0.547 417 Q N -0.194 119.470 119.800 -0.226 0.000 2.349 417 Q HA 0.448 4.788 4.340 -0.000 0.000 0.209 417 Q C 2.276 178.136 176.000 -0.233 0.000 0.920 417 Q CA 1.359 57.047 55.803 -0.191 0.000 0.901 417 Q CB -0.061 28.572 28.738 -0.175 0.000 1.021 417 Q HN 0.262 nan 8.270 nan 0.000 0.519 418 A N -0.545 122.047 122.820 -0.380 0.000 1.993 418 A HA 0.460 4.780 4.320 -0.000 0.000 0.207 418 A C 1.413 178.826 177.584 -0.286 0.000 1.224 418 A CA 0.492 52.277 52.037 -0.421 0.000 0.749 418 A CB -0.619 17.885 19.000 -0.827 0.000 0.884 418 A HN 0.553 nan 8.150 nan 0.000 0.467 419 G N 1.384 109.951 108.800 -0.389 0.000 2.395 419 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.292 419 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.292 419 G C -2.010 172.725 174.900 -0.275 0.000 0.953 419 G CA 0.156 45.043 45.100 -0.355 0.000 1.207 419 G HN 0.511 nan 8.290 nan 0.000 0.503 420 P HA 0.369 nan 4.420 nan 0.000 0.282 420 P C 0.775 177.939 177.300 -0.226 0.000 1.262 420 P CA -0.436 62.555 63.100 -0.183 0.000 0.773 420 P CB 1.082 32.732 31.700 -0.084 0.000 0.879 421 L N 2.656 123.648 121.223 -0.385 0.000 2.514 421 L HA 0.218 4.558 4.340 -0.000 0.000 0.280 421 L C 1.812 178.351 176.870 -0.552 0.000 1.223 421 L CA 1.277 55.713 54.840 -0.673 0.000 0.864 421 L CB -0.532 40.681 42.059 -1.410 0.000 1.118 421 L HN 0.825 nan 8.230 nan 0.000 0.494 422 G N 1.724 110.375 108.800 -0.247 0.000 2.194 422 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.236 422 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.236 422 G C 0.413 175.362 174.900 0.082 0.000 0.987 422 G CA 0.352 45.471 45.100 0.031 0.000 0.635 422 G HN 0.823 nan 8.290 nan 0.000 0.520 423 W N 1.914 123.100 121.300 -0.189 0.000 2.363 423 W HA 0.022 4.682 4.660 -0.000 0.000 0.296 423 W C 2.480 178.897 176.519 -0.170 0.000 1.212 423 W CA 2.806 59.970 57.345 -0.301 0.000 1.260 423 W CB -0.211 28.979 29.460 -0.450 0.000 1.131 423 W HN 0.192 nan 8.180 nan 0.000 0.530 424 T N 1.003 115.618 114.554 0.101 0.000 2.674 424 T HA -0.262 4.088 4.350 -0.000 0.000 0.265 424 T C 1.803 176.465 174.700 -0.063 0.000 1.039 424 T CA 2.080 64.207 62.100 0.046 0.000 1.150 424 T CB -0.597 68.382 68.868 0.186 0.000 0.864 424 T HN 0.117 nan 8.240 nan 0.000 0.427 425 I N 1.917 122.522 120.570 0.058 0.000 2.099 425 I HA -0.137 4.033 4.170 -0.000 0.000 0.239 425 I C -0.397 175.616 176.117 -0.172 0.000 1.066 425 I CA 1.333 62.664 61.300 0.051 0.000 1.324 425 I CB -1.362 36.642 38.000 0.006 0.000 1.037 425 I HN 0.209 nan 8.210 nan 0.000 0.401 426 P HA -0.180 nan 4.420 nan 0.000 0.216 426 P C 1.444 178.444 177.300 -0.499 0.000 1.153 426 P CA 2.117 65.029 63.100 -0.313 0.000 0.848 426 P CB -0.085 31.461 31.700 -0.256 0.000 0.787 427 A N 0.759 123.156 122.820 -0.706 0.000 1.883 427 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 427 A C 2.528 179.724 177.584 -0.646 0.000 1.186 427 A CA 2.583 54.059 52.037 -0.935 0.000 0.624 427 A CB -1.634 16.321 19.000 -1.741 0.000 0.822 427 A HN 0.236 nan 8.150 nan 0.000 0.444 428 A N -0.305 122.163 122.820 -0.588 0.000 1.883 428 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 428 A C 2.179 179.408 177.584 -0.591 0.000 1.186 428 A CA 1.615 53.270 52.037 -0.638 0.000 0.624 428 A CB -0.677 17.773 19.000 -0.918 0.000 0.822 428 A HN 0.492 nan 8.150 nan 0.000 0.444 429 L N -0.713 120.208 121.223 -0.504 0.000 2.083 429 L HA -0.127 4.213 4.340 -0.000 0.000 0.209 429 L C 2.802 179.543 176.870 -0.215 0.000 1.083 429 L CA 1.021 55.685 54.840 -0.293 0.000 0.752 429 L CB -0.754 41.199 42.059 -0.177 0.000 0.899 429 L HN 0.499 nan 8.230 nan 0.000 0.433 430 G N -0.483 108.110 108.800 -0.345 0.000 2.422 430 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 430 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 430 G C 1.587 176.436 174.900 -0.084 0.000 1.146 430 G CA 0.833 45.763 45.100 -0.283 0.000 0.769 430 G HN 0.189 nan 8.290 nan 0.000 0.547 431 V N 0.599 120.388 119.914 -0.209 0.000 2.343 431 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 431 V C 3.035 179.045 176.094 -0.140 0.000 1.051 431 V CA 1.771 63.953 62.300 -0.196 0.000 1.036 431 V CB -0.714 30.956 31.823 -0.255 0.000 0.654 431 V HN 0.496 nan 8.190 nan 0.000 0.451 432 C N 0.367 119.590 119.300 -0.130 0.000 2.425 432 C HA -0.053 4.407 4.460 -0.000 0.000 0.277 432 C C 3.079 178.078 174.990 0.015 0.000 1.280 432 C CA 0.696 59.679 59.018 -0.058 0.000 1.744 432 C CB -1.375 26.342 27.740 -0.039 0.000 1.989 432 C HN 0.627 nan 8.230 nan 0.000 0.491 433 A N 0.414 123.284 122.820 0.083 0.000 1.969 433 A HA 0.153 4.473 4.320 -0.000 0.000 0.218 433 A C 2.328 180.026 177.584 0.190 0.000 1.169 433 A CA 1.797 53.941 52.037 0.178 0.000 0.635 433 A CB -0.674 18.532 19.000 0.344 0.000 0.810 433 A HN 0.558 nan 8.150 nan 0.000 0.445 434 A N -1.316 121.552 122.820 0.080 0.000 1.968 434 A HA 0.084 4.404 4.320 -0.000 0.000 0.217 434 A C 0.778 178.277 177.584 -0.141 0.000 1.169 434 A CA 1.572 53.466 52.037 -0.238 0.000 0.638 434 A CB -0.035 18.621 19.000 -0.574 0.000 0.812 434 A HN 0.388 nan 8.150 nan 0.000 0.446 435 D N -2.605 117.745 120.400 -0.084 0.000 2.319 435 D HA 0.334 4.974 4.640 -0.000 0.000 0.237 435 D C -2.538 173.742 176.300 -0.033 0.000 1.353 435 D CA -1.500 52.463 54.000 -0.061 0.000 0.992 435 D CB 1.294 42.041 40.800 -0.088 0.000 1.368 435 D HN -0.121 nan 8.370 nan 0.000 0.564 436 P HA -0.076 nan 4.420 nan 0.000 0.228 436 P C 0.962 178.267 177.300 0.009 0.000 1.151 436 P CA 0.676 63.785 63.100 0.014 0.000 0.770 436 P CB 0.375 32.092 31.700 0.029 0.000 0.786 437 K N -0.963 119.435 120.400 -0.003 0.000 2.400 437 K HA 0.052 4.372 4.320 -0.000 0.000 0.194 437 K C 0.958 177.547 176.600 -0.018 0.000 1.033 437 K CA 0.033 56.319 56.287 -0.001 0.000 1.021 437 K CB -0.103 32.400 32.500 0.004 0.000 0.808 437 K HN 0.056 nan 8.250 nan 0.000 0.505 438 R N 2.587 123.058 120.500 -0.049 0.000 2.449 438 R HA -0.004 4.336 4.340 -0.000 0.000 0.296 438 R C 0.005 176.244 176.300 -0.102 0.000 1.047 438 R CA 0.045 56.083 56.100 -0.104 0.000 1.018 438 R CB -0.024 30.180 30.300 -0.159 0.000 0.962 438 R HN -0.128 nan 8.270 nan 0.000 0.428 439 N N 4.179 122.806 118.700 -0.122 0.000 2.895 439 N HA 0.050 4.790 4.740 -0.000 0.000 0.277 439 N C -1.289 174.091 175.510 -0.217 0.000 1.185 439 N CA -0.116 52.864 53.050 -0.116 0.000 1.106 439 N CB 0.155 38.597 38.487 -0.076 0.000 1.422 439 N HN 0.280 nan 8.380 nan 0.000 0.521 440 V N 2.381 122.195 119.914 -0.166 0.000 2.488 440 V HA 0.259 4.379 4.120 -0.000 0.000 0.277 440 V C 0.213 176.219 176.094 -0.147 0.000 1.046 440 V CA -0.469 61.713 62.300 -0.196 0.000 0.986 440 V CB 1.268 32.995 31.823 -0.161 0.000 0.989 440 V HN 0.155 nan 8.190 nan 0.000 0.475 441 V N 4.378 124.149 119.914 -0.238 0.000 2.525 441 V HA 0.746 4.866 4.120 -0.000 0.000 0.299 441 V C 0.181 176.246 176.094 -0.049 0.000 1.034 441 V CA -0.534 61.656 62.300 -0.184 0.000 0.863 441 V CB 1.730 33.243 31.823 -0.516 0.000 0.999 441 V HN 0.990 nan 8.190 nan 0.000 0.423 442 A N 5.591 128.384 122.820 -0.045 0.000 2.312 442 A HA 0.965 5.285 4.320 -0.000 0.000 0.328 442 A C -0.864 176.603 177.584 -0.196 0.000 1.158 442 A CA -0.458 51.443 52.037 -0.227 0.000 0.821 442 A CB 0.818 19.498 19.000 -0.534 0.000 1.170 442 A HN 0.726 nan 8.150 nan 0.000 0.490 443 I N 0.974 121.477 120.570 -0.111 0.000 2.436 443 I HA 0.497 4.667 4.170 -0.000 0.000 0.289 443 I C 0.110 176.299 176.117 0.120 0.000 1.010 443 I CA 0.275 61.605 61.300 0.049 0.000 1.098 443 I CB 2.101 40.169 38.000 0.112 0.000 1.266 443 I HN 0.437 nan 8.210 nan 0.000 0.434 444 S N 2.444 118.291 115.700 0.245 0.000 2.569 444 S HA 0.795 5.265 4.470 -0.000 0.000 0.280 444 S C -0.004 174.714 174.600 0.197 0.000 1.111 444 S CA -0.817 57.558 58.200 0.291 0.000 0.887 444 S CB 2.014 65.541 63.200 0.545 0.000 1.095 444 S HN 0.835 nan 8.310 nan 0.000 0.476 445 G N 0.524 109.436 108.800 0.187 0.000 2.580 445 G HA2 0.317 4.277 3.960 -0.000 0.000 0.278 445 G HA3 0.317 4.277 3.960 -0.000 0.000 0.278 445 G C 0.577 175.584 174.900 0.179 0.000 1.212 445 G CA -0.466 44.732 45.100 0.164 0.000 0.939 445 G HN 0.758 nan 8.290 nan 0.000 0.513 446 D N -0.539 119.964 120.400 0.173 0.000 2.144 446 D HA -0.176 4.464 4.640 -0.000 0.000 0.199 446 D C 1.821 178.364 176.300 0.406 0.000 0.984 446 D CA 0.840 54.961 54.000 0.202 0.000 0.834 446 D CB -0.230 40.739 40.800 0.282 0.000 0.955 446 D HN 0.242 nan 8.370 nan 0.000 0.465 447 F N 1.851 121.937 119.950 0.227 0.000 2.128 447 F HA -0.067 4.460 4.527 -0.000 0.000 0.295 447 F C 2.001 177.978 175.800 0.295 0.000 1.100 447 F CA 1.301 59.463 58.000 0.269 0.000 1.260 447 F CB -0.548 38.584 39.000 0.219 0.000 1.009 447 F HN -0.117 nan 8.300 nan 0.000 0.476 448 D N -0.557 119.983 120.400 0.234 0.000 2.123 448 D HA -0.302 4.338 4.640 -0.000 0.000 0.196 448 D C 2.225 178.624 176.300 0.164 0.000 0.992 448 D CA 1.453 55.496 54.000 0.072 0.000 0.833 448 D CB -0.641 40.222 40.800 0.106 0.000 0.954 448 D HN 0.259 nan 8.370 nan 0.000 0.455 449 F N 0.774 120.767 119.950 0.072 0.000 2.161 449 F HA -0.121 4.406 4.527 -0.000 0.000 0.300 449 F C 2.344 178.176 175.800 0.054 0.000 1.089 449 F CA 1.525 59.531 58.000 0.009 0.000 1.282 449 F CB -0.183 38.750 39.000 -0.112 0.000 1.010 449 F HN 0.058 nan 8.300 nan 0.000 0.485 450 Q N -1.359 118.562 119.800 0.202 0.000 2.187 450 Q HA -0.113 4.226 4.340 -0.000 0.000 0.199 450 Q C 2.134 178.161 176.000 0.045 0.000 0.957 450 Q CA 1.100 56.983 55.803 0.135 0.000 0.857 450 Q CB -0.343 28.539 28.738 0.241 0.000 0.929 450 Q HN 0.339 nan 8.270 nan 0.000 0.453 451 F N 0.806 120.653 119.950 -0.172 0.000 2.063 451 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 451 F C 1.271 176.996 175.800 -0.124 0.000 1.105 451 F CA 1.384 59.275 58.000 -0.182 0.000 1.215 451 F CB 0.070 38.956 39.000 -0.190 0.000 0.972 451 F HN 0.022 nan 8.300 nan 0.000 0.483 452 L N -0.407 120.854 121.223 0.064 0.000 3.096 452 L HA 0.220 4.560 4.340 -0.000 0.000 0.272 452 L C 1.240 178.048 176.870 -0.104 0.000 1.311 452 L CA -0.187 54.642 54.840 -0.018 0.000 0.943 452 L CB 0.380 42.431 42.059 -0.013 0.000 1.348 452 L HN 0.144 nan 8.230 nan 0.000 0.562 453 I N 1.064 121.543 120.570 -0.152 0.000 2.454 453 I HA -0.255 3.915 4.170 -0.000 0.000 0.254 453 I C 2.532 178.547 176.117 -0.169 0.000 1.156 453 I CA 1.324 62.451 61.300 -0.288 0.000 1.433 453 I CB 0.296 38.164 38.000 -0.219 0.000 1.082 453 I HN 0.535 nan 8.210 nan 0.000 0.432 454 E N 0.524 120.683 120.200 -0.068 0.000 2.268 454 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 454 E C 1.355 177.953 176.600 -0.003 0.000 0.995 454 E CA 0.970 57.359 56.400 -0.018 0.000 0.836 454 E CB -0.544 29.164 29.700 0.014 0.000 0.763 454 E HN 0.527 nan 8.360 nan 0.000 0.491 455 E N 1.079 121.268 120.200 -0.019 0.000 2.338 455 E HA -0.030 4.320 4.350 -0.000 0.000 0.197 455 E C 2.288 178.905 176.600 0.028 0.000 1.007 455 E CA 0.250 56.653 56.400 0.006 0.000 0.849 455 E CB -0.375 29.310 29.700 -0.024 0.000 0.774 455 E HN 0.396 nan 8.360 nan 0.000 0.506 456 L N 0.440 121.663 121.223 0.000 0.000 2.081 456 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 456 L C 2.374 179.289 176.870 0.075 0.000 1.080 456 L CA 1.293 56.161 54.840 0.046 0.000 0.754 456 L CB -0.535 41.524 42.059 0.001 0.000 0.893 456 L HN 0.075 nan 8.230 nan 0.000 0.433 457 A N -0.628 122.228 122.820 0.060 0.000 2.067 457 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 457 A C 2.292 179.949 177.584 0.121 0.000 1.158 457 A CA 1.248 53.328 52.037 0.072 0.000 0.661 457 A CB -0.551 18.480 19.000 0.052 0.000 0.801 457 A HN 0.221 nan 8.150 nan 0.000 0.452 458 V N -0.131 119.876 119.914 0.154 0.000 2.307 458 V HA -0.175 3.945 4.120 -0.000 0.000 0.245 458 V C 2.815 179.088 176.094 0.298 0.000 1.045 458 V CA 1.926 64.382 62.300 0.260 0.000 1.024 458 V CB -1.446 30.483 31.823 0.176 0.000 0.651 458 V HN 0.577 nan 8.190 nan 0.000 0.449 459 G N -0.620 108.305 108.800 0.208 0.000 2.448 459 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.219 459 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.219 459 G C 1.657 176.669 174.900 0.186 0.000 1.127 459 G CA 1.121 46.351 45.100 0.216 0.000 0.766 459 G HN 0.614 nan 8.290 nan 0.000 0.552 460 A N 0.153 123.059 122.820 0.143 0.000 1.878 460 A HA 0.076 4.396 4.320 -0.000 0.000 0.213 460 A C 2.236 179.861 177.584 0.069 0.000 1.192 460 A CA 1.743 53.837 52.037 0.095 0.000 0.619 460 A CB -0.499 18.536 19.000 0.060 0.000 0.837 460 A HN 0.420 nan 8.150 nan 0.000 0.446 461 Q N -1.046 118.782 119.800 0.047 0.000 2.002 461 Q HA -0.107 4.233 4.340 -0.000 0.000 0.204 461 Q C -0.331 175.529 176.000 -0.233 0.000 0.988 461 Q CA 1.084 56.813 55.803 -0.124 0.000 0.843 461 Q CB -0.207 28.404 28.738 -0.212 0.000 0.908 461 Q HN 0.487 nan 8.270 nan 0.000 0.420 462 F N 0.982 120.969 119.950 0.061 0.000 2.375 462 F HA 0.243 4.770 4.527 -0.000 0.000 0.333 462 F C -0.036 175.807 175.800 0.071 0.000 1.104 462 F CA -0.776 57.261 58.000 0.062 0.000 1.149 462 F CB 0.682 39.719 39.000 0.062 0.000 1.190 462 F HN -0.006 nan 8.300 nan 0.000 0.533 463 N N 2.579 121.412 118.700 0.222 0.000 3.083 463 N HA 0.338 5.078 4.740 -0.000 0.000 0.260 463 N C -1.109 174.502 175.510 0.168 0.000 1.163 463 N CA 0.003 53.151 53.050 0.163 0.000 1.060 463 N CB -0.006 38.552 38.487 0.118 0.000 1.345 463 N HN 0.398 nan 8.380 nan 0.000 0.515 464 I N 2.802 123.486 120.570 0.190 0.000 2.347 464 I HA 0.312 4.482 4.170 -0.000 0.000 0.283 464 I C -2.166 174.079 176.117 0.213 0.000 1.058 464 I CA -1.981 59.428 61.300 0.181 0.000 1.202 464 I CB 1.011 39.117 38.000 0.176 0.000 1.386 464 I HN 0.121 nan 8.210 nan 0.000 0.475 465 P HA 0.345 nan 4.420 nan 0.000 0.288 465 P C -1.431 176.027 177.300 0.262 0.000 1.267 465 P CA -0.140 63.070 63.100 0.184 0.000 0.815 465 P CB 1.126 32.904 31.700 0.131 0.000 0.989 466 Y N 0.143 120.479 120.300 0.061 0.000 2.750 466 Y HA 0.655 5.205 4.550 -0.000 0.000 0.335 466 Y C -1.726 174.218 175.900 0.072 0.000 1.252 466 Y CA -1.421 56.697 58.100 0.031 0.000 1.064 466 Y CB 0.648 39.102 38.460 -0.011 0.000 1.321 466 Y HN 0.110 nan 8.280 nan 0.000 0.451 467 I N 1.986 122.527 120.570 -0.048 0.000 2.354 467 I HA 0.291 4.461 4.170 -0.000 0.000 0.292 467 I C -1.114 174.988 176.117 -0.025 0.000 0.989 467 I CA -0.544 60.711 61.300 -0.075 0.000 1.188 467 I CB 1.405 39.462 38.000 0.096 0.000 1.342 467 I HN 0.722 nan 8.210 nan 0.000 0.457 468 H N 5.350 124.347 119.070 -0.123 0.000 2.595 468 H HA 0.448 5.004 4.556 -0.000 0.000 0.313 468 H C -1.054 174.333 175.328 0.098 0.000 1.023 468 H CA -0.608 55.493 56.048 0.088 0.000 1.218 468 H CB 1.183 31.031 29.762 0.142 0.000 1.403 468 H HN 0.288 nan 8.280 nan 0.000 0.477 469 V N 6.616 126.685 119.914 0.258 0.000 2.408 469 V HA 0.051 4.171 4.120 -0.000 0.000 0.267 469 V C -0.304 175.913 176.094 0.204 0.000 1.047 469 V CA -0.502 61.951 62.300 0.254 0.000 0.937 469 V CB 0.711 32.708 31.823 0.289 0.000 0.999 469 V HN 0.491 nan 8.190 nan 0.000 0.472 470 L N 8.253 129.490 121.223 0.023 0.000 2.294 470 L HA 0.606 4.946 4.340 -0.000 0.000 0.283 470 L C -0.142 176.658 176.870 -0.115 0.000 1.015 470 L CA -0.274 54.468 54.840 -0.164 0.000 0.831 470 L CB 1.645 43.329 42.059 -0.625 0.000 1.217 470 L HN 0.532 nan 8.230 nan 0.000 0.420 471 V N 2.615 122.510 119.914 -0.031 0.000 2.348 471 V HA 0.589 4.709 4.120 -0.000 0.000 0.270 471 V C -0.273 175.829 176.094 0.014 0.000 1.037 471 V CA -0.487 61.806 62.300 -0.011 0.000 0.872 471 V CB 0.897 32.737 31.823 0.028 0.000 1.002 471 V HN 0.860 nan 8.190 nan 0.000 0.464 472 N N 4.838 123.548 118.700 0.016 0.000 2.469 472 N HA 0.388 5.128 4.740 -0.000 0.000 0.253 472 N C 0.213 175.853 175.510 0.216 0.000 0.970 472 N CA -0.404 52.712 53.050 0.110 0.000 0.940 472 N CB 1.467 40.026 38.487 0.119 0.000 1.128 472 N HN 0.902 nan 8.380 nan 0.000 0.503 473 N N 2.861 121.685 118.700 0.206 0.000 2.200 473 N HA 0.145 4.885 4.740 -0.000 0.000 0.224 473 N C 0.111 175.678 175.510 0.095 0.000 1.179 473 N CA 0.144 53.312 53.050 0.198 0.000 0.877 473 N CB 0.068 38.649 38.487 0.157 0.000 1.072 473 N HN 0.454 nan 8.380 nan 0.000 0.519 474 A N -0.711 122.154 122.820 0.075 0.000 2.745 474 A HA -0.246 4.074 4.320 -0.000 0.000 0.296 474 A C -0.894 176.601 177.584 -0.148 0.000 1.500 474 A CA 0.911 52.904 52.037 -0.074 0.000 0.766 474 A CB -2.600 16.184 19.000 -0.360 0.000 1.030 474 A HN 0.609 nan 8.150 nan 0.000 0.489 475 Y N -2.436 117.840 120.300 -0.039 0.000 2.571 475 Y HA 0.500 5.050 4.550 -0.000 0.000 0.341 475 Y C 0.344 176.189 175.900 -0.093 0.000 1.076 475 Y CA -1.027 57.026 58.100 -0.079 0.000 1.029 475 Y CB 1.377 39.794 38.460 -0.071 0.000 1.308 475 Y HN 0.189 nan 8.280 nan 0.000 0.461 476 L N 3.773 125.030 121.223 0.057 0.000 2.395 476 L HA 0.178 4.518 4.340 -0.000 0.000 0.268 476 L C 1.233 178.143 176.870 0.068 0.000 1.223 476 L CA 0.244 55.061 54.840 -0.037 0.000 1.093 476 L CB -0.332 41.603 42.059 -0.206 0.000 1.349 476 L HN 1.057 nan 8.230 nan 0.000 0.427 477 G N 2.158 111.000 108.800 0.070 0.000 2.459 477 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 477 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 477 G C 1.348 176.220 174.900 -0.046 0.000 1.183 477 G CA 0.453 45.540 45.100 -0.021 0.000 0.776 477 G HN 0.512 nan 8.290 nan 0.000 0.552 478 L N 0.774 121.998 121.223 0.001 0.000 2.042 478 L HA -0.053 4.287 4.340 -0.000 0.000 0.210 478 L C 2.556 179.425 176.870 -0.002 0.000 1.076 478 L CA 1.388 56.228 54.840 0.000 0.000 0.749 478 L CB -0.333 41.741 42.059 0.024 0.000 0.893 478 L HN 0.148 nan 8.230 nan 0.000 0.432 479 I N -0.584 119.991 120.570 0.009 0.000 2.286 479 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 479 I C 2.631 178.755 176.117 0.010 0.000 1.104 479 I CA 1.200 62.511 61.300 0.017 0.000 1.397 479 I CB -1.563 36.447 38.000 0.016 0.000 1.072 479 I HN 0.406 nan 8.210 nan 0.000 0.417 480 R N 1.091 121.583 120.500 -0.012 0.000 2.096 480 R HA -0.263 4.077 4.340 -0.000 0.000 0.240 480 R C 2.303 178.555 176.300 -0.080 0.000 1.139 480 R CA 2.184 58.254 56.100 -0.049 0.000 0.952 480 R CB -0.300 29.881 30.300 -0.198 0.000 0.854 480 R HN 0.465 nan 8.270 nan 0.000 0.436 481 Q N 0.195 119.929 119.800 -0.109 0.000 2.084 481 Q HA -0.147 4.193 4.340 -0.000 0.000 0.202 481 Q C 1.959 177.931 176.000 -0.046 0.000 0.978 481 Q CA 2.377 58.105 55.803 -0.125 0.000 0.844 481 Q CB -0.050 28.602 28.738 -0.144 0.000 0.898 481 Q HN 0.509 nan 8.270 nan 0.000 0.426 482 S N -0.451 115.255 115.700 0.010 0.000 2.447 482 S HA -0.154 4.316 4.470 -0.000 0.000 0.233 482 S C 1.625 176.318 174.600 0.155 0.000 1.006 482 S CA 1.007 59.252 58.200 0.075 0.000 0.957 482 S CB -0.163 63.089 63.200 0.086 0.000 0.773 482 S HN 0.448 nan 8.310 nan 0.000 0.507 483 Q N 0.469 120.346 119.800 0.129 0.000 2.472 483 Q HA 0.160 4.500 4.340 -0.000 0.000 0.208 483 Q C 2.150 178.258 176.000 0.179 0.000 0.958 483 Q CA 0.212 56.137 55.803 0.203 0.000 0.932 483 Q CB -0.068 28.742 28.738 0.121 0.000 1.007 483 Q HN 0.603 nan 8.270 nan 0.000 0.508 484 R N 0.355 120.903 120.500 0.079 0.000 2.091 484 R HA -0.143 4.197 4.340 -0.000 0.000 0.238 484 R C 2.224 178.543 176.300 0.032 0.000 1.136 484 R CA 1.334 57.452 56.100 0.031 0.000 0.959 484 R CB -0.352 29.930 30.300 -0.030 0.000 0.856 484 R HN 0.179 nan 8.270 nan 0.000 0.437 485 A N 0.244 123.072 122.820 0.013 0.000 2.019 485 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 485 A C 1.487 178.920 177.584 -0.251 0.000 1.164 485 A CA 1.161 53.119 52.037 -0.131 0.000 0.644 485 A CB -0.400 18.469 19.000 -0.219 0.000 0.805 485 A HN 0.269 nan 8.150 nan 0.000 0.449 486 F N -0.606 119.347 119.950 0.004 0.000 2.732 486 F HA 0.253 4.780 4.527 -0.000 0.000 0.303 486 F C 0.648 176.444 175.800 -0.007 0.000 1.110 486 F CA 0.087 58.087 58.000 -0.000 0.000 1.355 486 F CB -0.303 38.699 39.000 0.004 0.000 1.081 486 F HN 0.260 nan 8.300 nan 0.000 0.565 490 Y N 2.900 123.219 120.300 0.032 0.000 2.332 490 Y HA 0.335 4.885 4.550 -0.000 0.000 0.325 490 Y C 0.379 176.272 175.900 -0.011 0.000 1.054 490 Y CA -0.705 57.397 58.100 0.003 0.000 1.119 490 Y CB 0.792 39.247 38.460 -0.009 0.000 1.168 490 Y HN 0.529 nan 8.280 nan 0.000 0.439 491 C N 3.552 122.601 119.300 -0.418 0.000 4.397 491 C HA -0.180 4.280 4.460 -0.000 0.000 0.291 491 C C 1.371 176.235 174.990 -0.210 0.000 1.408 491 C CA 1.075 59.857 59.018 -0.393 0.000 1.971 491 C CB -2.971 24.448 27.740 -0.535 0.000 1.258 491 C HN 0.948 nan 8.230 nan 0.000 0.795 492 V N -3.935 115.903 119.914 -0.126 0.000 3.477 492 V HA 0.246 4.366 4.120 -0.000 0.000 0.297 492 V C 0.660 176.659 176.094 -0.157 0.000 1.433 492 V CA 0.441 62.693 62.300 -0.079 0.000 1.052 492 V CB -0.087 31.787 31.823 0.085 0.000 0.895 492 V HN 0.648 nan 8.190 nan 0.000 0.438 493 Q N 0.586 120.211 119.800 -0.291 0.000 2.235 493 Q HA 0.622 4.962 4.340 -0.000 0.000 0.250 493 Q C 0.004 175.830 176.000 -0.289 0.000 0.909 493 Q CA -0.327 55.167 55.803 -0.515 0.000 0.910 493 Q CB 2.413 30.843 28.738 -0.512 0.000 1.223 493 Q HN 0.413 nan 8.270 nan 0.000 0.432 494 L N 0.968 122.041 121.223 -0.250 0.000 2.766 494 L HA 0.342 4.682 4.340 -0.000 0.000 0.242 494 L C 0.429 177.325 176.870 0.044 0.000 1.136 494 L CA -0.299 54.520 54.840 -0.035 0.000 0.933 494 L CB 0.597 42.686 42.059 0.049 0.000 1.241 494 L HN 0.552 nan 8.230 nan 0.000 0.522 495 A N 1.304 124.063 122.820 -0.102 0.000 2.440 495 A HA 0.526 4.846 4.320 -0.000 0.000 0.251 495 A C -0.495 177.153 177.584 0.107 0.000 1.089 495 A CA 0.134 52.105 52.037 -0.110 0.000 0.779 495 A CB -0.146 18.712 19.000 -0.237 0.000 1.022 495 A HN 0.303 nan 8.150 nan 0.000 0.492 496 F N -0.847 119.072 119.950 -0.051 0.000 2.713 496 F HA 0.541 5.068 4.527 -0.000 0.000 0.311 496 F C -0.571 175.229 175.800 0.001 0.000 1.141 496 F CA -1.183 56.799 58.000 -0.029 0.000 0.939 496 F CB 1.133 40.116 39.000 -0.028 0.000 1.325 496 F HN 0.369 nan 8.300 nan 0.000 0.453 497 E N 2.468 122.757 120.200 0.148 0.000 2.104 497 E HA 0.045 4.395 4.350 -0.000 0.000 0.278 497 E C -0.722 175.951 176.600 0.122 0.000 1.127 497 E CA -0.086 56.353 56.400 0.065 0.000 0.897 497 E CB 0.423 30.172 29.700 0.083 0.000 1.043 497 E HN 0.517 nan 8.360 nan 0.000 0.410 498 N N 3.757 122.428 118.700 -0.049 0.000 2.431 498 N HA -0.015 4.725 4.740 -0.000 0.000 0.265 498 N C 1.236 176.786 175.510 0.068 0.000 1.184 498 N CA -0.062 53.005 53.050 0.028 0.000 0.943 498 N CB 0.475 38.899 38.487 -0.105 0.000 1.080 498 N HN 0.494 nan 8.380 nan 0.000 0.477 499 I N 0.855 121.492 120.570 0.112 0.000 2.916 499 I HA -0.105 4.065 4.170 -0.000 0.000 0.267 499 I C 0.177 176.321 176.117 0.046 0.000 1.263 499 I CA 1.079 62.421 61.300 0.070 0.000 1.471 499 I CB -0.174 37.867 38.000 0.069 0.000 1.089 499 I HN 0.345 nan 8.210 nan 0.000 0.468 500 N N 0.131 118.858 118.700 0.045 0.000 2.205 500 N HA 0.142 4.882 4.740 -0.000 0.000 0.201 500 N C -0.464 175.056 175.510 0.016 0.000 1.128 500 N CA -0.078 52.989 53.050 0.029 0.000 0.867 500 N CB 0.789 39.295 38.487 0.032 0.000 0.996 500 N HN 0.109 nan 8.380 nan 0.000 0.503 501 S N -0.435 115.270 115.700 0.009 0.000 2.461 501 S HA 0.181 4.651 4.470 -0.000 0.000 0.216 501 S C 0.281 174.878 174.600 -0.006 0.000 1.201 501 S CA -0.640 57.559 58.200 -0.002 0.000 1.171 501 S CB 1.259 64.450 63.200 -0.015 0.000 1.169 501 S HN 0.054 nan 8.310 nan 0.000 0.456 502 S N 2.319 118.018 115.700 -0.002 0.000 2.402 502 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 502 S C 2.207 176.804 174.600 -0.005 0.000 1.021 502 S CA 0.927 59.124 58.200 -0.004 0.000 0.974 502 S CB -0.114 63.080 63.200 -0.009 0.000 0.800 502 S HN 0.868 nan 8.310 nan 0.000 0.484 503 E N 2.171 122.373 120.200 0.002 0.000 2.171 503 E HA -0.152 4.198 4.350 -0.000 0.000 0.197 503 E C 1.982 178.639 176.600 0.096 0.000 0.997 503 E CA 1.639 58.053 56.400 0.024 0.000 0.810 503 E CB -0.916 28.815 29.700 0.051 0.000 0.738 503 E HN 0.614 nan 8.360 nan 0.000 0.467 504 V N -1.294 118.652 119.914 0.053 0.000 3.573 504 V HA 0.015 4.135 4.120 -0.000 0.000 0.270 504 V C 0.107 176.223 176.094 0.037 0.000 1.221 504 V CA 0.404 62.718 62.300 0.025 0.000 1.163 504 V CB -0.999 30.803 31.823 -0.035 0.000 0.847 504 V HN 0.033 nan 8.190 nan 0.000 0.468 505 N N 1.204 119.935 118.700 0.053 0.000 2.725 505 N HA -0.195 4.545 4.740 -0.000 0.000 0.251 505 N C 1.106 176.727 175.510 0.185 0.000 1.031 505 N CA 1.440 54.547 53.050 0.095 0.000 0.720 505 N CB -1.598 36.946 38.487 0.095 0.000 0.930 505 N HN 1.412 nan 8.380 nan 0.000 0.543 506 G N -1.584 107.270 108.800 0.090 0.000 2.168 506 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.257 506 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.257 506 G C 0.590 175.502 174.900 0.020 0.000 0.997 506 G CA 0.576 45.695 45.100 0.031 0.000 0.708 506 G HN 0.500 nan 8.290 nan 0.000 0.520 507 Y N 0.314 120.522 120.300 -0.153 0.000 2.544 507 Y HA 0.340 4.890 4.550 -0.000 0.000 0.286 507 Y C 2.334 178.054 175.900 -0.299 0.000 1.141 507 Y CA 1.261 59.269 58.100 -0.153 0.000 1.299 507 Y CB 0.131 38.545 38.460 -0.077 0.000 1.030 507 Y HN 1.036 nan 8.280 nan 0.000 0.543 508 G N -0.446 108.086 108.800 -0.446 0.000 3.138 508 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.247 508 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.247 508 G C -0.437 173.997 174.900 -0.776 0.000 1.642 508 G CA -0.358 44.032 45.100 -1.182 0.000 1.087 508 G HN -0.052 nan 8.290 nan 0.000 0.558 509 V N 2.980 122.651 119.914 -0.406 0.000 2.673 509 V HA 0.367 4.487 4.120 -0.000 0.000 0.303 509 V C 0.353 176.197 176.094 -0.418 0.000 1.046 509 V CA 0.770 62.894 62.300 -0.294 0.000 1.126 509 V CB 1.541 33.204 31.823 -0.268 0.000 0.934 509 V HN 0.624 nan 8.190 nan 0.000 0.487 510 D N 3.227 123.476 120.400 -0.252 0.000 2.468 510 D HA 0.175 4.815 4.640 -0.000 0.000 0.218 510 D C 0.996 177.225 176.300 -0.118 0.000 1.155 510 D CA -0.174 53.725 54.000 -0.167 0.000 0.924 510 D CB 0.322 41.081 40.800 -0.068 0.000 1.029 510 D HN 0.648 nan 8.370 nan 0.000 0.515 511 H N 1.169 120.257 119.070 0.031 0.000 2.457 511 H HA -0.074 4.482 4.556 -0.000 0.000 0.294 511 H C 2.038 177.394 175.328 0.047 0.000 1.064 511 H CA 0.800 56.889 56.048 0.068 0.000 1.330 511 H CB 0.615 30.370 29.762 -0.010 0.000 1.395 511 H HN 0.223 nan 8.280 nan 0.000 0.541 512 V N 0.954 120.926 119.914 0.096 0.000 2.307 512 V HA -0.242 3.878 4.120 -0.000 0.000 0.245 512 V C 2.116 178.238 176.094 0.047 0.000 1.045 512 V CA 1.785 64.115 62.300 0.050 0.000 1.024 512 V CB -0.288 31.542 31.823 0.013 0.000 0.651 512 V HN 0.380 nan 8.190 nan 0.000 0.449 513 K N -0.344 120.077 120.400 0.036 0.000 2.057 513 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 513 K C 2.067 178.695 176.600 0.045 0.000 1.049 513 K CA 1.320 57.625 56.287 0.030 0.000 0.931 513 K CB -0.344 32.167 32.500 0.019 0.000 0.714 513 K HN 0.327 nan 8.250 nan 0.000 0.440 514 V N 1.313 121.269 119.914 0.071 0.000 2.295 514 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 514 V C 2.344 178.495 176.094 0.094 0.000 1.049 514 V CA 2.085 64.439 62.300 0.090 0.000 1.024 514 V CB -0.661 31.243 31.823 0.135 0.000 0.648 514 V HN 0.355 nan 8.190 nan 0.000 0.447 515 A N -0.455 122.440 122.820 0.126 0.000 1.902 515 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 515 A C 2.180 179.794 177.584 0.050 0.000 1.181 515 A CA 1.859 53.962 52.037 0.110 0.000 0.623 515 A CB -0.445 18.639 19.000 0.140 0.000 0.818 515 A HN 0.627 nan 8.150 nan 0.000 0.443 516 E N -0.743 119.476 120.200 0.032 0.000 2.072 516 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 516 E C 2.141 178.743 176.600 0.003 0.000 0.985 516 E CA 0.686 57.086 56.400 0.000 0.000 0.801 516 E CB -0.358 29.336 29.700 -0.009 0.000 0.750 516 E HN 0.607 nan 8.360 nan 0.000 0.452 517 G N 1.222 110.032 108.800 0.016 0.000 2.432 517 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 517 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 517 G C 1.455 176.365 174.900 0.016 0.000 1.135 517 G CA 0.422 45.532 45.100 0.015 0.000 0.767 517 G HN 0.114 nan 8.290 nan 0.000 0.550 518 L N 0.324 121.561 121.223 0.023 0.000 2.610 518 L HA 0.260 4.600 4.340 -0.000 0.000 0.232 518 L C 1.989 178.872 176.870 0.021 0.000 1.149 518 L CA 0.517 55.371 54.840 0.023 0.000 0.872 518 L CB 0.071 42.146 42.059 0.027 0.000 0.992 518 L HN 0.387 nan 8.230 nan 0.000 0.447 519 G N -1.583 107.223 108.800 0.010 0.000 2.159 519 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.227 519 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.227 519 G C 0.160 175.054 174.900 -0.011 0.000 0.986 519 G CA -0.159 44.941 45.100 0.000 0.000 0.651 519 G HN 0.298 nan 8.290 nan 0.000 0.523 520 C N 0.366 119.660 119.300 -0.010 0.000 2.380 520 C HA 0.871 5.331 4.460 -0.000 0.000 0.393 520 C C 0.510 175.462 174.990 -0.063 0.000 1.284 520 C CA -0.898 58.109 59.018 -0.019 0.000 2.033 520 C CB 1.686 29.435 27.740 0.015 0.000 2.165 520 C HN 0.371 nan 8.230 nan 0.000 0.540 521 K N 0.689 121.047 120.400 -0.070 0.000 2.156 521 K HA 0.807 5.127 4.320 -0.000 0.000 0.250 521 K C -0.677 175.906 176.600 -0.028 0.000 0.955 521 K CA -0.028 56.209 56.287 -0.084 0.000 0.855 521 K CB 1.773 34.205 32.500 -0.114 0.000 1.101 521 K HN 0.861 nan 8.250 nan 0.000 0.434 522 A N 2.539 125.345 122.820 -0.024 0.000 2.547 522 A HA 0.707 5.027 4.320 -0.000 0.000 0.297 522 A C -1.200 176.373 177.584 -0.018 0.000 1.056 522 A CA -0.700 51.331 52.037 -0.010 0.000 0.688 522 A CB 0.935 19.939 19.000 0.006 0.000 1.282 522 A HN 0.597 nan 8.150 nan 0.000 0.400 523 I N 1.088 121.641 120.570 -0.028 0.000 2.545 523 I HA 0.560 4.730 4.170 -0.000 0.000 0.292 523 I C 0.004 176.070 176.117 -0.086 0.000 1.040 523 I CA -0.571 60.703 61.300 -0.043 0.000 1.068 523 I CB 2.292 40.269 38.000 -0.040 0.000 1.251 523 I HN 0.786 nan 8.210 nan 0.000 0.424 524 R N 4.911 125.352 120.500 -0.098 0.000 2.460 524 R HA 0.781 5.121 4.340 -0.000 0.000 0.303 524 R C -1.804 174.365 176.300 -0.218 0.000 0.968 524 R CA -0.449 55.533 56.100 -0.196 0.000 0.889 524 R CB 1.717 31.889 30.300 -0.214 0.000 1.123 524 R HN 0.464 nan 8.270 nan 0.000 0.455 525 V N 5.978 125.693 119.914 -0.332 0.000 2.487 525 V HA 0.348 4.468 4.120 -0.000 0.000 0.298 525 V C -0.374 175.493 176.094 -0.378 0.000 1.028 525 V CA -0.404 61.745 62.300 -0.251 0.000 0.860 525 V CB 1.565 33.256 31.823 -0.219 0.000 0.991 525 V HN 0.844 nan 8.190 nan 0.000 0.427 526 F N 1.920 121.809 119.950 -0.102 0.000 2.622 526 F HA 0.349 4.876 4.527 -0.000 0.000 0.288 526 F C 1.163 176.916 175.800 -0.078 0.000 1.120 526 F CA 0.127 58.068 58.000 -0.100 0.000 1.423 526 F CB 0.558 39.501 39.000 -0.096 0.000 1.127 526 F HN 0.268 nan 8.300 nan 0.000 0.588 527 K N 0.376 120.831 120.400 0.092 0.000 2.259 527 K HA 0.286 4.606 4.320 -0.000 0.000 0.252 527 K C -2.089 174.504 176.600 -0.012 0.000 0.936 527 K CA -1.808 54.503 56.287 0.039 0.000 0.810 527 K CB 1.802 34.325 32.500 0.039 0.000 1.143 527 K HN -0.317 nan 8.250 nan 0.000 0.427 528 P HA -0.223 nan 4.420 nan 0.000 0.218 528 P C 0.891 178.168 177.300 -0.037 0.000 1.149 528 P CA 1.190 64.269 63.100 -0.034 0.000 0.817 528 P CB 0.218 31.900 31.700 -0.030 0.000 0.785 529 E N -0.275 119.911 120.200 -0.023 0.000 2.347 529 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 529 E C 0.561 177.142 176.600 -0.031 0.000 1.008 529 E CA 1.025 57.416 56.400 -0.016 0.000 0.852 529 E CB -0.878 28.821 29.700 -0.002 0.000 0.783 529 E HN 0.250 nan 8.360 nan 0.000 0.505 530 D N 0.779 121.150 120.400 -0.047 0.000 2.340 530 D HA 0.133 4.773 4.640 -0.000 0.000 0.220 530 D C 1.894 178.105 176.300 -0.147 0.000 1.039 530 D CA 0.091 54.049 54.000 -0.070 0.000 0.866 530 D CB 0.099 40.872 40.800 -0.046 0.000 0.913 530 D HN 0.312 nan 8.370 nan 0.000 0.523 531 I N 1.056 121.518 120.570 -0.180 0.000 2.233 531 I HA -0.193 3.977 4.170 -0.000 0.000 0.243 531 I C 2.529 178.390 176.117 -0.427 0.000 1.093 531 I CA 0.794 61.876 61.300 -0.363 0.000 1.380 531 I CB -0.184 37.663 38.000 -0.254 0.000 1.067 531 I HN -0.081 nan 8.210 nan 0.000 0.413 532 A N 1.548 124.282 122.820 -0.144 0.000 1.865 532 A HA -0.127 4.193 4.320 -0.000 0.000 0.217 532 A C 0.077 177.641 177.584 -0.034 0.000 1.191 532 A CA 1.862 53.891 52.037 -0.013 0.000 0.623 532 A CB -2.047 16.973 19.000 0.033 0.000 0.826 532 A HN 0.274 nan 8.150 nan 0.000 0.444 533 P HA -0.097 nan 4.420 nan 0.000 0.218 533 P C 1.644 178.914 177.300 -0.049 0.000 1.148 533 P CA 1.811 64.891 63.100 -0.033 0.000 0.822 533 P CB -0.143 31.538 31.700 -0.032 0.000 0.784 534 A N -1.035 121.699 122.820 -0.144 0.000 1.902 534 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 534 A C 1.911 179.458 177.584 -0.061 0.000 1.181 534 A CA 1.441 53.381 52.037 -0.161 0.000 0.623 534 A CB -1.743 17.073 19.000 -0.306 0.000 0.818 534 A HN 0.045 nan 8.150 nan 0.000 0.443 535 F N 0.589 120.533 119.950 -0.010 0.000 2.171 535 F HA -0.096 4.431 4.527 -0.000 0.000 0.300 535 F C 2.485 178.277 175.800 -0.012 0.000 1.090 535 F CA 1.164 59.152 58.000 -0.021 0.000 1.293 535 F CB -0.577 38.313 39.000 -0.183 0.000 1.013 535 F HN 0.239 nan 8.300 nan 0.000 0.486 536 E N 0.210 120.498 120.200 0.147 0.000 2.072 536 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 536 E C 2.171 178.827 176.600 0.093 0.000 0.985 536 E CA 1.001 57.457 56.400 0.093 0.000 0.801 536 E CB -0.569 29.163 29.700 0.055 0.000 0.750 536 E HN 0.539 nan 8.360 nan 0.000 0.452 537 Q N 0.410 120.256 119.800 0.077 0.000 2.096 537 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 537 Q C 2.195 178.258 176.000 0.105 0.000 0.982 537 Q CA 1.685 57.533 55.803 0.075 0.000 0.850 537 Q CB -0.249 28.517 28.738 0.047 0.000 0.901 537 Q HN 0.244 nan 8.270 nan 0.000 0.422 538 A N 1.345 124.246 122.820 0.135 0.000 1.883 538 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 538 A C 1.921 179.603 177.584 0.163 0.000 1.186 538 A CA 1.779 53.913 52.037 0.162 0.000 0.624 538 A CB -0.358 18.788 19.000 0.244 0.000 0.822 538 A HN 0.200 nan 8.150 nan 0.000 0.444 539 K N -0.186 120.317 120.400 0.173 0.000 2.097 539 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 539 K C 2.227 178.897 176.600 0.116 0.000 1.049 539 K CA 1.198 57.575 56.287 0.150 0.000 0.933 539 K CB -0.324 32.263 32.500 0.145 0.000 0.717 539 K HN 0.460 nan 8.250 nan 0.000 0.442 540 A N 1.297 124.180 122.820 0.105 0.000 1.873 540 A HA -0.029 4.291 4.320 -0.000 0.000 0.215 540 A C 1.180 178.830 177.584 0.109 0.000 1.186 540 A CA 0.752 52.841 52.037 0.087 0.000 0.616 540 A CB -0.545 18.500 19.000 0.075 0.000 0.823 540 A HN 0.106 nan 8.150 nan 0.000 0.442 544 Q N -1.069 118.715 119.800 -0.027 0.000 2.165 544 Q HA 0.071 4.411 4.340 -0.000 0.000 0.197 544 Q C 1.597 177.479 176.000 -0.197 0.000 0.952 544 Q CA 1.576 57.281 55.803 -0.163 0.000 0.848 544 Q CB -0.336 28.221 28.738 -0.301 0.000 0.931 544 Q HN 0.669 nan 8.270 nan 0.000 0.470 545 Y N 0.198 120.520 120.300 0.036 0.000 2.476 545 Y HA 0.265 4.815 4.550 -0.000 0.000 0.283 545 Y C 0.227 176.153 175.900 0.042 0.000 1.109 545 Y CA -0.176 57.945 58.100 0.036 0.000 1.246 545 Y CB 0.763 39.244 38.460 0.034 0.000 1.068 545 Y HN -0.030 nan 8.280 nan 0.000 0.552 546 R N 0.191 120.800 120.500 0.182 0.000 3.423 546 R HA -0.122 4.218 4.340 -0.000 0.000 0.271 546 R C -0.975 175.410 176.300 0.142 0.000 1.093 546 R CA 0.784 56.966 56.100 0.136 0.000 0.730 546 R CB -2.639 27.725 30.300 0.106 0.000 1.190 546 R HN 0.284 nan 8.270 nan 0.000 0.437 547 V N -4.345 115.654 119.914 0.143 0.000 3.130 547 V HA 0.770 4.890 4.120 -0.000 0.000 0.310 547 V C -2.455 173.681 176.094 0.069 0.000 1.158 547 V CA -2.770 59.597 62.300 0.112 0.000 1.029 547 V CB 2.597 34.471 31.823 0.085 0.000 1.057 547 V HN -0.155 nan 8.190 nan 0.000 0.436 548 P HA 0.272 nan 4.420 nan 0.000 0.265 548 P C -0.813 176.422 177.300 -0.108 0.000 1.193 548 P CA 0.189 63.211 63.100 -0.129 0.000 0.765 548 P CB 0.629 32.273 31.700 -0.094 0.000 0.823 549 V N 4.614 124.435 119.914 -0.155 0.000 2.407 549 V HA 0.219 4.339 4.120 -0.000 0.000 0.291 549 V C 0.071 176.146 176.094 -0.031 0.000 1.018 549 V CA -0.697 61.574 62.300 -0.047 0.000 0.842 549 V CB 2.025 33.861 31.823 0.022 0.000 0.996 549 V HN 0.203 nan 8.190 nan 0.000 0.426 550 V N 5.664 125.581 119.914 0.005 0.000 2.407 550 V HA 0.377 4.497 4.120 -0.000 0.000 0.278 550 V C 0.019 176.119 176.094 0.009 0.000 1.037 550 V CA -0.471 61.842 62.300 0.022 0.000 0.900 550 V CB 1.745 33.574 31.823 0.009 0.000 0.983 550 V HN 0.614 nan 8.190 nan 0.000 0.459 551 V N 4.871 124.812 119.914 0.044 0.000 2.293 551 V HA 0.319 4.439 4.120 -0.000 0.000 0.275 551 V C 0.215 176.272 176.094 -0.062 0.000 1.021 551 V CA -0.481 61.829 62.300 0.016 0.000 0.815 551 V CB 1.192 33.090 31.823 0.126 0.000 1.025 551 V HN 0.934 nan 8.190 nan 0.000 0.448 552 E N 3.977 124.094 120.200 -0.139 0.000 2.200 552 E HA 0.480 4.830 4.350 -0.000 0.000 0.283 552 E C -1.248 175.223 176.600 -0.215 0.000 1.015 552 E CA -0.397 55.885 56.400 -0.196 0.000 0.819 552 E CB 1.651 31.230 29.700 -0.202 0.000 1.081 552 E HN 0.483 nan 8.360 nan 0.000 0.397 553 V N 6.190 125.991 119.914 -0.189 0.000 2.384 553 V HA 0.223 4.343 4.120 -0.000 0.000 0.287 553 V C 0.107 176.077 176.094 -0.206 0.000 1.020 553 V CA -0.880 61.296 62.300 -0.207 0.000 0.850 553 V CB 1.324 33.061 31.823 -0.143 0.000 0.987 553 V HN 0.659 nan 8.190 nan 0.000 0.436 554 I N 6.286 126.667 120.570 -0.314 0.000 2.347 554 I HA 0.234 4.404 4.170 -0.000 0.000 0.294 554 I C 0.257 176.316 176.117 -0.097 0.000 1.090 554 I CA 0.327 61.453 61.300 -0.291 0.000 1.314 554 I CB 0.257 37.909 38.000 -0.581 0.000 1.423 554 I HN 0.432 nan 8.210 nan 0.000 0.503 555 L N 5.702 126.948 121.223 0.039 0.000 2.439 555 L HA 0.295 4.635 4.340 -0.000 0.000 0.259 555 L C 1.043 178.006 176.870 0.155 0.000 1.129 555 L CA -0.834 54.047 54.840 0.069 0.000 0.803 555 L CB 0.635 42.734 42.059 0.066 0.000 1.161 555 L HN 0.601 nan 8.230 nan 0.000 0.462 556 E N 1.398 121.650 120.200 0.086 0.000 2.418 556 E HA 0.017 4.367 4.350 -0.000 0.000 0.261 556 E C 0.297 176.952 176.600 0.091 0.000 1.070 556 E CA -0.571 55.885 56.400 0.092 0.000 0.931 556 E CB 0.772 30.482 29.700 0.016 0.000 0.954 556 E HN 0.413 nan 8.360 nan 0.000 0.439 557 R N 1.763 122.316 120.500 0.089 0.000 2.075 557 R HA 0.008 4.348 4.340 -0.000 0.000 0.232 557 R C 0.259 176.552 176.300 -0.011 0.000 1.126 557 R CA 0.795 56.947 56.100 0.087 0.000 0.963 557 R CB -0.182 30.178 30.300 0.101 0.000 0.858 557 R HN 0.460 nan 8.270 nan 0.000 0.435 558 V N 1.769 121.635 119.914 -0.080 0.000 2.407 558 V HA 0.279 4.399 4.120 -0.000 0.000 0.291 558 V C -0.551 175.457 176.094 -0.144 0.000 1.018 558 V CA -0.484 61.699 62.300 -0.195 0.000 0.842 558 V CB 2.001 33.700 31.823 -0.206 0.000 0.996 558 V HN 0.112 nan 8.190 nan 0.000 0.426 559 T N 3.765 118.228 114.554 -0.153 0.000 2.928 559 T HA 0.392 4.742 4.350 -0.000 0.000 0.296 559 T C -0.438 174.177 174.700 -0.141 0.000 1.000 559 T CA -0.611 61.415 62.100 -0.122 0.000 0.989 559 T CB 1.060 69.879 68.868 -0.081 0.000 1.005 559 T HN 0.618 nan 8.240 nan 0.000 0.442 560 N N 2.890 121.490 118.700 -0.167 0.000 2.420 560 N HA 0.343 5.083 4.740 -0.000 0.000 0.249 560 N C -0.290 175.211 175.510 -0.014 0.000 1.033 560 N CA -0.683 52.209 53.050 -0.263 0.000 0.944 560 N CB 0.658 38.701 38.487 -0.740 0.000 1.113 560 N HN 0.421 nan 8.380 nan 0.000 0.502 561 I N 1.519 122.105 120.570 0.027 0.000 2.581 561 I HA 0.131 4.301 4.170 -0.000 0.000 0.288 561 I C 1.180 177.434 176.117 0.229 0.000 1.047 561 I CA -0.060 61.312 61.300 0.119 0.000 1.374 561 I CB 1.151 39.190 38.000 0.065 0.000 1.423 561 I HN 0.459 nan 8.210 nan 0.000 0.549 565 S N -1.255 114.440 115.700 -0.007 0.000 2.535 565 S HA 0.374 4.844 4.470 -0.000 0.000 0.214 565 S C 0.250 174.843 174.600 -0.012 0.000 0.980 565 S CA 0.449 58.645 58.200 -0.007 0.000 0.907 565 S CB 0.199 63.397 63.200 -0.003 0.000 0.790 565 S HN 0.511 nan 8.310 nan 0.000 0.510 566 E N 0.295 120.485 120.200 -0.017 0.000 2.408 566 E HA 0.392 4.742 4.350 -0.000 0.000 0.275 566 E C 0.445 177.030 176.600 -0.024 0.000 0.935 566 E CA -0.659 55.732 56.400 -0.014 0.000 0.775 566 E CB 1.341 31.035 29.700 -0.010 0.000 1.277 566 E HN 0.067 nan 8.360 nan 0.000 0.455 567 L N 0.551 121.764 121.223 -0.017 0.000 2.079 567 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 567 L C 1.342 178.191 176.870 -0.036 0.000 1.081 567 L CA 1.740 56.561 54.840 -0.032 0.000 0.752 567 L CB -0.426 41.623 42.059 -0.016 0.000 0.896 567 L HN 0.515 nan 8.230 nan 0.000 0.433 568 D N -2.499 117.885 120.400 -0.026 0.000 2.325 568 D HA -0.089 4.551 4.640 -0.000 0.000 0.225 568 D C 0.956 177.236 176.300 -0.033 0.000 1.096 568 D CA 0.187 54.170 54.000 -0.027 0.000 0.844 568 D CB -0.223 40.565 40.800 -0.020 0.000 0.925 568 D HN 0.144 nan 8.370 nan 0.000 0.513 569 N N -0.484 118.193 118.700 -0.039 0.000 2.167 569 N HA 0.084 4.824 4.740 -0.000 0.000 0.234 569 N C -0.550 174.925 175.510 -0.059 0.000 1.312 569 N CA -0.150 52.873 53.050 -0.044 0.000 0.861 569 N CB 0.890 39.358 38.487 -0.032 0.000 1.217 569 N HN -0.091 nan 8.380 nan 0.000 0.504 573 F N 0.436 120.400 119.950 0.023 0.000 2.220 573 F HA 0.077 4.604 4.527 -0.000 0.000 0.290 573 F C 1.462 177.283 175.800 0.035 0.000 1.080 573 F CA 0.484 58.495 58.000 0.019 0.000 1.318 573 F CB 0.454 39.456 39.000 0.003 0.000 1.063 573 F HN 0.095 nan 8.300 nan 0.000 0.498 574 E N 0.962 121.309 120.200 0.245 0.000 2.342 574 E HA 0.061 4.411 4.350 -0.000 0.000 0.257 574 E C -0.754 175.966 176.600 0.200 0.000 1.150 574 E CA -0.330 56.186 56.400 0.192 0.000 0.926 574 E CB 0.288 30.092 29.700 0.173 0.000 1.074 574 E HN 0.020 nan 8.360 nan 0.000 0.449 575 D N 1.333 121.896 120.400 0.271 0.000 2.493 575 D HA 0.053 4.693 4.640 -0.000 0.000 0.240 575 D C 0.605 177.013 176.300 0.181 0.000 1.142 575 D CA 0.255 54.390 54.000 0.225 0.000 0.872 575 D CB 0.118 41.076 40.800 0.264 0.000 1.173 575 D HN 0.288 nan 8.370 nan 0.000 0.467 576 I N -1.191 119.450 120.570 0.117 0.000 3.322 576 I HA 0.631 4.801 4.170 -0.000 0.000 0.296 576 I C 0.028 176.196 176.117 0.086 0.000 1.101 576 I CA -0.860 60.499 61.300 0.098 0.000 1.166 576 I CB 0.870 38.911 38.000 0.068 0.000 1.475 576 I HN 0.286 nan 8.210 nan 0.000 0.665 577 A N 1.619 124.492 122.820 0.089 0.000 2.574 577 A HA 0.509 4.829 4.320 -0.000 0.000 0.297 577 A C -0.801 176.837 177.584 0.090 0.000 1.062 577 A CA -0.307 51.777 52.037 0.078 0.000 0.686 577 A CB 1.380 20.433 19.000 0.089 0.000 1.285 577 A HN 0.875 nan 8.150 nan 0.000 0.403 578 D N 0.533 120.973 120.400 0.067 0.000 2.540 578 D HA 0.103 4.743 4.640 -0.000 0.000 0.229 578 D C -0.251 176.083 176.300 0.056 0.000 1.250 578 D CA 0.110 54.151 54.000 0.069 0.000 0.817 578 D CB 0.091 40.916 40.800 0.042 0.000 1.060 578 D HN 0.553 nan 8.370 nan 0.000 0.508 579 N N -0.760 117.960 118.700 0.033 0.000 2.732 579 N HA 0.345 5.085 4.740 -0.000 0.000 0.259 579 N C 0.317 175.730 175.510 -0.162 0.000 1.402 579 N CA -0.322 52.675 53.050 -0.089 0.000 0.829 579 N CB 1.357 39.772 38.487 -0.120 0.000 1.495 579 N HN -0.130 nan 8.380 nan 0.000 0.511 580 A N 0.171 122.665 122.820 -0.543 0.000 2.014 580 A HA 0.224 4.544 4.320 -0.000 0.000 0.218 580 A C 2.091 179.544 177.584 -0.219 0.000 1.163 580 A CA 1.681 53.352 52.037 -0.609 0.000 0.652 580 A CB -0.979 17.322 19.000 -1.165 0.000 0.808 580 A HN 0.869 nan 8.150 nan 0.000 0.449 581 A N 0.247 122.943 122.820 -0.207 0.000 1.940 581 A HA -0.211 4.109 4.320 -0.000 0.000 0.219 581 A C 1.718 179.217 177.584 -0.141 0.000 1.176 581 A CA 1.920 53.852 52.037 -0.175 0.000 0.631 581 A CB -0.409 18.502 19.000 -0.148 0.000 0.814 581 A HN 0.463 nan 8.150 nan 0.000 0.446 582 D N -0.922 119.436 120.400 -0.069 0.000 2.271 582 D HA 0.228 4.868 4.640 -0.000 0.000 0.206 582 D C 0.785 177.117 176.300 0.054 0.000 0.967 582 D CA 1.220 55.203 54.000 -0.028 0.000 0.867 582 D CB 0.110 40.887 40.800 -0.037 0.000 0.960 582 D HN 0.365 nan 8.370 nan 0.000 0.509 583 A N 1.369 124.260 122.820 0.118 0.000 3.258 583 A HA 0.325 4.645 4.320 -0.000 0.000 0.318 583 A C -1.926 175.854 177.584 0.327 0.000 0.990 583 A CA -0.871 51.306 52.037 0.232 0.000 0.885 583 A CB 0.834 19.999 19.000 0.274 0.000 1.090 583 A HN -0.133 nan 8.150 nan 0.000 0.479 584 P HA -0.072 nan 4.420 nan 0.000 0.230 584 P C 1.019 178.505 177.300 0.311 0.000 1.158 584 P CA 1.495 64.732 63.100 0.227 0.000 0.769 584 P CB -0.073 31.672 31.700 0.075 0.000 0.807 585 T N -4.492 110.260 114.554 0.331 0.000 3.134 585 T HA 0.157 4.507 4.350 -0.000 0.000 0.260 585 T C 0.561 175.516 174.700 0.425 0.000 1.027 585 T CA -0.366 61.952 62.100 0.363 0.000 0.913 585 T CB -0.288 68.814 68.868 0.391 0.000 1.046 585 T HN -0.112 nan 8.240 nan 0.000 0.553 586 E N 2.580 122.933 120.200 0.256 0.000 2.413 586 E HA 0.057 4.407 4.350 -0.000 0.000 0.263 586 E C 1.489 177.995 176.600 -0.156 0.000 1.015 586 E CA 0.404 56.768 56.400 -0.060 0.000 0.916 586 E CB 1.378 30.779 29.700 -0.497 0.000 0.947 586 E HN 0.551 nan 8.360 nan 0.000 0.440 587 T N -1.240 113.126 114.554 -0.313 0.000 2.929 587 T HA -0.181 4.169 4.350 -0.000 0.000 0.271 587 T C 1.897 176.545 174.700 -0.087 0.000 1.085 587 T CA 0.909 62.944 62.100 -0.107 0.000 1.125 587 T CB -0.300 68.427 68.868 -0.235 0.000 0.874 587 T HN 0.548 nan 8.240 nan 0.000 0.494 588 C N 0.184 119.308 119.300 -0.293 0.000 2.448 588 C HA 0.353 4.813 4.460 -0.000 0.000 0.280 588 C C 0.952 175.971 174.990 0.047 0.000 1.398 588 C CA -0.728 58.164 59.018 -0.209 0.000 1.774 588 C CB -1.595 25.924 27.740 -0.369 0.000 1.888 588 C HN 0.569 nan 8.230 nan 0.000 0.519 592 Y N 4.520 124.495 120.300 -0.542 0.000 2.404 592 Y HA 0.345 4.895 4.550 -0.000 0.000 0.344 592 Y C 0.733 176.331 175.900 -0.503 0.000 0.970 592 Y CA 0.346 58.164 58.100 -0.469 0.000 1.180 592 Y CB 0.501 38.517 38.460 -0.741 0.000 1.138 592 Y HN 0.737 nan 8.280 nan 0.000 0.510 593 E N 0.000 120.117 120.200 -0.138 0.000 2.725 593 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 593 E CA 0.000 56.378 56.400 -0.037 0.000 0.976 593 E CB 0.000 29.669 29.700 -0.052 0.000 0.812 593 E HN 0.000 nan 8.360 nan 0.000 0.440