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 2ff4_1_A DATA FIRST_RESID 8 DATA SEQUENCE EKRLDFGLLG PLQMTIDGTP VPSGTPKQRA VLAMLVINRN RPVGVDALIT DATA SEQUENCE ALWEEWPPSG ARASIHSYVS NLRKLLGGAG IDPRVVLAAA PPGYRLSIPD DATA SEQUENCE NTCDLGRFVA EKTAGVHAAA AGRFEQASRH LSAALREWRG PVLDDLRDFQ DATA SEQUENCE FVEPFATALV EDKVLAHTAK AEAEIACGRA SAVIAELEAL TFEHPYREPL DATA SEQUENCE WTQLITAYYL SDRQSDALGA YRRVKTTLAD DLGIDPGPTL RALNERILRQ DATA SEQUENCE QPLDAKKSAK TTAAGTVTVL DQRTMASGQQ AVAYLHDIAS GRGYPLQAAA DATA SEQUENCE TRIGRLHDND IVLDSANVSR HHAVIVDTGT NYVINDLRSS NGVHVQHERI DATA SEQUENCE RSAVTLNDGD HIRICDHEFT FQISAGTHG 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 8 E HA 0.000 nan 4.350 nan 0.000 0.291 8 E C 0.000 176.597 176.600 -0.005 0.000 1.382 8 E CA 0.000 56.400 56.400 -0.001 0.000 0.976 8 E CB 0.000 29.700 29.700 -0.000 0.000 0.812 9 K N 1.013 121.408 120.400 -0.009 0.000 2.375 9 K HA 0.435 4.756 4.320 0.002 0.000 0.249 9 K C -0.804 175.782 176.600 -0.024 0.000 0.942 9 K CA -0.875 55.401 56.287 -0.017 0.000 0.806 9 K CB 2.248 34.734 32.500 -0.023 0.000 1.227 9 K HN -0.120 nan 8.250 nan 0.000 0.430 10 R N 2.762 123.243 120.500 -0.031 0.000 2.449 10 R HA 0.122 4.463 4.340 0.002 0.000 0.296 10 R C -0.834 175.424 176.300 -0.071 0.000 1.047 10 R CA 0.096 56.173 56.100 -0.038 0.000 1.018 10 R CB 0.215 30.493 30.300 -0.037 0.000 0.962 10 R HN 0.556 nan 8.270 nan 0.000 0.428 11 L N 4.321 125.501 121.223 -0.072 0.000 2.296 11 L HA 0.344 4.685 4.340 0.002 0.000 0.286 11 L C -0.901 175.853 176.870 -0.193 0.000 1.023 11 L CA -0.347 54.401 54.840 -0.154 0.000 0.812 11 L CB 1.684 43.705 42.059 -0.063 0.000 1.223 11 L HN 0.737 nan 8.230 nan 0.000 0.421 12 D N 2.491 122.649 120.400 -0.403 0.000 2.756 12 D HA 0.586 5.227 4.640 0.002 0.000 0.226 12 D C -1.595 174.346 176.300 -0.598 0.000 1.186 12 D CA -0.176 53.642 54.000 -0.303 0.000 0.845 12 D CB 1.965 42.675 40.800 -0.151 0.000 1.610 12 D HN 0.158 nan 8.370 nan 0.000 0.465 13 F N 0.559 120.494 119.950 -0.025 0.000 2.576 13 F HA 0.728 5.256 4.527 0.002 0.000 0.313 13 F C 0.634 176.408 175.800 -0.043 0.000 1.078 13 F CA -0.720 57.259 58.000 -0.034 0.000 0.921 13 F CB 2.752 41.731 39.000 -0.036 0.000 1.232 13 F HN 0.328 nan 8.300 nan 0.000 0.459 14 G N 1.773 110.653 108.800 0.134 0.000 2.666 14 G HA2 0.592 4.553 3.960 0.002 0.000 0.303 14 G HA3 0.592 4.553 3.960 0.002 0.000 0.303 14 G C -0.578 174.327 174.900 0.008 0.000 1.412 14 G CA -0.495 44.624 45.100 0.031 0.000 0.979 14 G HN 0.696 nan 8.290 nan 0.000 0.507 15 L N 1.815 123.013 121.223 -0.043 0.000 2.642 15 L HA 0.295 4.636 4.340 0.002 0.000 0.233 15 L C 0.911 177.694 176.870 -0.145 0.000 1.077 15 L CA 0.133 54.948 54.840 -0.041 0.000 0.879 15 L CB 0.258 42.337 42.059 0.034 0.000 1.151 15 L HN 0.351 nan 8.230 nan 0.000 0.495 16 L N 1.650 122.695 121.223 -0.297 0.000 2.480 16 L HA 0.479 4.820 4.340 0.002 0.000 0.243 16 L C 0.508 177.237 176.870 -0.235 0.000 1.315 16 L CA -0.220 54.297 54.840 -0.537 0.000 1.231 16 L CB -0.784 40.646 42.059 -1.049 0.000 1.444 16 L HN 0.239 nan 8.230 nan 0.000 0.409 17 G N 1.118 109.853 108.800 -0.108 0.000 2.340 17 G HA2 0.002 3.964 3.960 0.002 0.000 0.282 17 G HA3 0.002 3.964 3.960 0.002 0.000 0.282 17 G C -3.251 171.635 174.900 -0.022 0.000 1.312 17 G CA -1.076 44.010 45.100 -0.023 0.000 0.942 17 G HN 0.014 nan 8.290 nan 0.000 0.495 18 P HA 0.354 nan 4.420 nan 0.000 0.266 18 P C 0.309 177.598 177.300 -0.018 0.000 1.195 18 P CA -0.339 62.753 63.100 -0.013 0.000 0.768 18 P CB 0.535 32.230 31.700 -0.007 0.000 0.838 19 L N 3.509 124.720 121.223 -0.021 0.000 2.578 19 L HA -0.038 4.303 4.340 0.002 0.000 0.279 19 L C 0.035 176.905 176.870 -0.001 0.000 1.227 19 L CA 1.343 56.176 54.840 -0.012 0.000 0.900 19 L CB -0.508 41.535 42.059 -0.027 0.000 1.144 19 L HN 0.338 nan 8.230 nan 0.000 0.496 20 Q N 5.781 125.592 119.800 0.019 0.000 2.323 20 Q HA 0.471 4.812 4.340 0.002 0.000 0.271 20 Q C -1.164 174.842 176.000 0.010 0.000 1.048 20 Q CA -0.564 55.239 55.803 -0.000 0.000 0.792 20 Q CB 2.478 31.203 28.738 -0.023 0.000 1.280 20 Q HN 0.733 nan 8.270 nan 0.000 0.441 21 M N 2.634 122.200 119.600 -0.056 0.000 2.190 21 M HA 0.439 4.920 4.480 0.002 0.000 0.312 21 M C -1.180 174.980 176.300 -0.234 0.000 0.990 21 M CA -0.322 54.845 55.300 -0.222 0.000 0.927 21 M CB 1.538 34.078 32.600 -0.099 0.000 1.571 21 M HN 0.667 nan 8.290 nan 0.000 0.427 22 T N 3.290 117.649 114.554 -0.324 0.000 2.863 22 T HA 0.715 5.066 4.350 0.002 0.000 0.285 22 T C -0.674 173.894 174.700 -0.221 0.000 1.009 22 T CA -0.704 61.270 62.100 -0.209 0.000 0.989 22 T CB 1.319 70.099 68.868 -0.147 0.000 1.004 22 T HN 0.648 nan 8.240 nan 0.000 0.455 23 I N 2.555 123.039 120.570 -0.143 0.000 2.410 23 I HA 0.320 4.491 4.170 0.002 0.000 0.286 23 I C -0.423 175.648 176.117 -0.076 0.000 1.009 23 I CA -0.661 60.572 61.300 -0.112 0.000 1.111 23 I CB 1.579 39.526 38.000 -0.088 0.000 1.262 23 I HN 0.714 nan 8.210 nan 0.000 0.443 24 D N 5.265 125.626 120.400 -0.066 0.000 2.751 24 D HA -0.202 4.439 4.640 0.002 0.000 0.233 24 D C 1.174 177.447 176.300 -0.045 0.000 1.149 24 D CA 1.832 55.804 54.000 -0.047 0.000 0.682 24 D CB -0.804 39.975 40.800 -0.034 0.000 1.068 24 D HN 1.147 nan 8.370 nan 0.000 0.429 25 G N -1.840 106.926 108.800 -0.057 0.000 2.205 25 G HA2 -0.312 3.649 3.960 0.002 0.000 0.261 25 G HA3 -0.312 3.649 3.960 0.002 0.000 0.261 25 G C 0.480 175.351 174.900 -0.048 0.000 0.980 25 G CA 0.551 45.621 45.100 -0.049 0.000 0.632 25 G HN 0.529 nan 8.290 nan 0.000 0.533 26 T N 3.353 117.876 114.554 -0.052 0.000 2.744 26 T HA 0.536 4.887 4.350 0.002 0.000 0.291 26 T C -2.325 172.340 174.700 -0.058 0.000 0.957 26 T CA -0.895 61.177 62.100 -0.046 0.000 1.002 26 T CB 2.063 70.909 68.868 -0.037 0.000 0.919 26 T HN 0.063 nan 8.240 nan 0.000 0.468 27 P HA 0.149 nan 4.420 nan 0.000 0.265 27 P C -0.894 176.377 177.300 -0.050 0.000 1.193 27 P CA -0.236 62.831 63.100 -0.055 0.000 0.765 27 P CB 0.421 32.097 31.700 -0.039 0.000 0.823 28 V N 6.526 126.405 119.914 -0.058 0.000 2.357 28 V HA 0.285 4.406 4.120 0.002 0.000 0.284 28 V C -2.061 174.014 176.094 -0.031 0.000 1.018 28 V CA -1.978 60.295 62.300 -0.043 0.000 0.841 28 V CB 1.253 33.045 31.823 -0.051 0.000 0.991 28 V HN 0.495 nan 8.190 nan 0.000 0.437 29 P HA 0.081 nan 4.420 nan 0.000 0.263 29 P C 0.605 177.897 177.300 -0.013 0.000 1.195 29 P CA 0.206 63.296 63.100 -0.016 0.000 0.762 29 P CB 0.560 32.254 31.700 -0.011 0.000 0.799 30 S N 1.791 117.481 115.700 -0.016 0.000 2.557 30 S HA 0.502 4.973 4.470 0.002 0.000 0.223 30 S C 0.864 175.444 174.600 -0.034 0.000 0.969 30 S CA 0.137 58.328 58.200 -0.016 0.000 0.927 30 S CB -0.571 62.624 63.200 -0.008 0.000 0.806 30 S HN 0.779 nan 8.310 nan 0.000 0.489 31 G N 1.389 110.171 108.800 -0.030 0.000 2.362 31 G HA2 0.109 4.070 3.960 0.002 0.000 0.517 31 G HA3 0.109 4.070 3.960 0.002 0.000 0.517 31 G C -0.274 174.599 174.900 -0.045 0.000 1.256 31 G CA -0.491 44.590 45.100 -0.032 0.000 1.027 31 G HN 0.983 nan 8.290 nan 0.000 0.491 32 T N -0.761 113.765 114.554 -0.047 0.000 2.802 32 T HA 0.511 4.862 4.350 0.002 0.000 0.305 32 T C -0.946 173.698 174.700 -0.092 0.000 1.053 32 T CA -0.031 62.046 62.100 -0.038 0.000 1.058 32 T CB 1.300 70.171 68.868 0.005 0.000 0.988 32 T HN 0.312 nan 8.240 nan 0.000 0.539 33 P HA -0.113 nan 4.420 nan 0.000 0.216 33 P C 1.577 178.808 177.300 -0.115 0.000 1.150 33 P CA 1.116 64.230 63.100 0.022 0.000 0.843 33 P CB 0.065 31.903 31.700 0.229 0.000 0.787 34 K N -0.256 120.051 120.400 -0.154 0.000 2.057 34 K HA -0.177 4.144 4.320 0.002 0.000 0.207 34 K C 2.180 178.297 176.600 -0.804 0.000 1.049 34 K CA 1.358 57.385 56.287 -0.432 0.000 0.931 34 K CB -0.896 31.358 32.500 -0.410 0.000 0.714 34 K HN 0.299 nan 8.250 nan 0.000 0.440 35 Q N 1.092 120.340 119.800 -0.920 0.000 2.084 35 Q HA -0.108 4.233 4.340 0.002 0.000 0.202 35 Q C 2.092 177.841 176.000 -0.418 0.000 0.978 35 Q CA 1.289 56.613 55.803 -0.798 0.000 0.844 35 Q CB 0.127 28.579 28.738 -0.477 0.000 0.898 35 Q HN 0.210 nan 8.270 nan 0.000 0.426 36 R N -0.205 120.098 120.500 -0.328 0.000 2.096 36 R HA -0.104 4.237 4.340 0.002 0.000 0.235 36 R C 2.311 178.426 176.300 -0.308 0.000 1.127 36 R CA 1.044 56.996 56.100 -0.246 0.000 0.968 36 R CB -0.406 29.784 30.300 -0.184 0.000 0.861 36 R HN 0.296 nan 8.270 nan 0.000 0.440 37 A N 0.924 123.460 122.820 -0.473 0.000 1.933 37 A HA -0.116 4.206 4.320 0.002 0.000 0.218 37 A C 2.392 179.727 177.584 -0.414 0.000 1.175 37 A CA 1.342 53.075 52.037 -0.506 0.000 0.628 37 A CB -0.501 17.965 19.000 -0.890 0.000 0.814 37 A HN 0.105 nan 8.150 nan 0.000 0.444 38 V N -0.293 119.386 119.914 -0.392 0.000 2.255 38 V HA -0.253 3.868 4.120 0.002 0.000 0.247 38 V C 2.485 178.428 176.094 -0.253 0.000 1.051 38 V CA 2.044 64.165 62.300 -0.299 0.000 1.018 38 V CB -0.823 30.870 31.823 -0.217 0.000 0.641 38 V HN 0.602 nan 8.190 nan 0.000 0.445 39 L N 0.832 121.925 121.223 -0.217 0.000 2.012 39 L HA -0.133 4.208 4.340 0.002 0.000 0.210 39 L C 2.475 179.227 176.870 -0.196 0.000 1.073 39 L CA 2.457 57.193 54.840 -0.175 0.000 0.748 39 L CB -1.090 40.910 42.059 -0.099 0.000 0.891 39 L HN 0.241 nan 8.230 nan 0.000 0.431 40 A N -0.816 121.896 122.820 -0.179 0.000 1.883 40 A HA -0.257 4.064 4.320 0.002 0.000 0.217 40 A C 2.250 179.697 177.584 -0.229 0.000 1.186 40 A CA 2.296 54.245 52.037 -0.146 0.000 0.624 40 A CB -0.593 18.386 19.000 -0.034 0.000 0.822 40 A HN 0.503 nan 8.150 nan 0.000 0.444 41 M N -0.595 118.805 119.600 -0.332 0.000 2.108 41 M HA -0.102 4.380 4.480 0.002 0.000 0.261 41 M C 2.178 178.304 176.300 -0.291 0.000 1.066 41 M CA 1.343 56.397 55.300 -0.411 0.000 1.107 41 M CB -1.231 31.064 32.600 -0.509 0.000 1.356 41 M HN 0.426 nan 8.290 nan 0.000 0.406 42 L N -1.002 120.071 121.223 -0.249 0.000 2.093 42 L HA -0.149 4.192 4.340 0.002 0.000 0.208 42 L C 2.437 179.161 176.870 -0.243 0.000 1.085 42 L CA 0.618 55.331 54.840 -0.212 0.000 0.755 42 L CB -0.679 41.263 42.059 -0.195 0.000 0.904 42 L HN 0.061 nan 8.230 nan 0.000 0.435 43 V N 0.014 119.757 119.914 -0.286 0.000 2.379 43 V HA -0.240 3.881 4.120 0.002 0.000 0.245 43 V C 2.321 178.297 176.094 -0.196 0.000 1.044 43 V CA 1.507 63.632 62.300 -0.292 0.000 1.036 43 V CB -0.253 31.393 31.823 -0.295 0.000 0.664 43 V HN 0.300 nan 8.190 nan 0.000 0.453 44 I N 0.592 121.026 120.570 -0.227 0.000 2.264 44 I HA -0.223 3.948 4.170 0.002 0.000 0.248 44 I C 1.484 177.507 176.117 -0.156 0.000 1.111 44 I CA 1.507 62.656 61.300 -0.252 0.000 1.382 44 I CB -0.269 37.424 38.000 -0.511 0.000 1.060 44 I HN 0.374 nan 8.210 nan 0.000 0.418 45 N N 1.663 120.266 118.700 -0.161 0.000 2.376 45 N HA 0.066 4.807 4.740 0.002 0.000 0.249 45 N C -0.323 175.131 175.510 -0.093 0.000 1.140 45 N CA -0.181 52.803 53.050 -0.109 0.000 0.870 45 N CB 0.212 38.629 38.487 -0.116 0.000 1.124 45 N HN 0.413 nan 8.380 nan 0.000 0.505 46 R N 1.172 121.611 120.500 -0.102 0.000 2.566 46 R HA -0.018 4.324 4.340 0.002 0.000 0.273 46 R C 0.015 176.281 176.300 -0.057 0.000 0.981 46 R CA 0.300 56.340 56.100 -0.099 0.000 1.091 46 R CB -0.037 30.201 30.300 -0.104 0.000 0.924 46 R HN 0.083 nan 8.270 nan 0.000 0.411 47 N N 0.122 118.791 118.700 -0.051 0.000 2.828 47 N HA -0.157 4.584 4.740 0.002 0.000 0.248 47 N C -0.985 174.511 175.510 -0.023 0.000 1.044 47 N CA 1.358 54.391 53.050 -0.028 0.000 0.851 47 N CB -0.486 37.992 38.487 -0.016 0.000 1.136 47 N HN 0.674 nan 8.380 nan 0.000 0.572 48 R N -0.117 120.364 120.500 -0.032 0.000 2.750 48 R HA 0.516 4.857 4.340 0.002 0.000 0.281 48 R C -2.561 173.721 176.300 -0.031 0.000 0.972 48 R CA -1.682 54.402 56.100 -0.027 0.000 0.912 48 R CB 1.207 31.491 30.300 -0.026 0.000 1.187 48 R HN -0.119 nan 8.270 nan 0.000 0.464 49 P HA 0.140 nan 4.420 nan 0.000 0.271 49 P C -0.576 176.708 177.300 -0.028 0.000 1.216 49 P CA -0.296 62.789 63.100 -0.025 0.000 0.771 49 P CB 0.653 32.332 31.700 -0.035 0.000 0.864 50 V N 3.551 123.457 119.914 -0.013 0.000 2.384 50 V HA 0.499 4.620 4.120 0.002 0.000 0.287 50 V C 0.969 177.070 176.094 0.012 0.000 1.020 50 V CA -0.591 61.697 62.300 -0.022 0.000 0.850 50 V CB 1.229 33.022 31.823 -0.049 0.000 0.987 50 V HN 0.726 nan 8.190 nan 0.000 0.436 51 G N 2.887 111.684 108.800 -0.005 0.000 2.544 51 G HA2 0.324 4.285 3.960 0.002 0.000 0.242 51 G HA3 0.324 4.285 3.960 0.002 0.000 0.242 51 G C 1.079 176.007 174.900 0.046 0.000 1.247 51 G CA -0.269 44.836 45.100 0.009 0.000 0.840 51 G HN 0.544 nan 8.290 nan 0.000 0.578 52 V N 1.532 121.490 119.914 0.075 0.000 2.392 52 V HA -0.168 3.953 4.120 0.002 0.000 0.249 52 V C 2.502 178.643 176.094 0.078 0.000 1.059 52 V CA 2.243 64.608 62.300 0.109 0.000 1.051 52 V CB -0.422 31.472 31.823 0.118 0.000 0.658 52 V HN 0.655 nan 8.190 nan 0.000 0.455 53 D N 0.396 120.829 120.400 0.055 0.000 2.117 53 D HA -0.126 4.515 4.640 0.002 0.000 0.197 53 D C 2.232 178.554 176.300 0.038 0.000 0.987 53 D CA 1.652 55.683 54.000 0.053 0.000 0.829 53 D CB -0.337 40.488 40.800 0.042 0.000 0.961 53 D HN 0.454 nan 8.370 nan 0.000 0.460 54 A N 0.497 123.321 122.820 0.007 0.000 1.933 54 A HA -0.107 4.214 4.320 0.002 0.000 0.218 54 A C 2.385 179.930 177.584 -0.064 0.000 1.175 54 A CA 0.837 52.852 52.037 -0.035 0.000 0.628 54 A CB -0.689 18.275 19.000 -0.059 0.000 0.814 54 A HN 0.204 nan 8.150 nan 0.000 0.444 55 L N -0.687 120.514 121.223 -0.037 0.000 2.056 55 L HA -0.166 4.175 4.340 0.002 0.000 0.207 55 L C 2.489 179.365 176.870 0.009 0.000 1.078 55 L CA 1.236 56.036 54.840 -0.066 0.000 0.749 55 L CB -0.522 41.530 42.059 -0.012 0.000 0.901 55 L HN 0.368 nan 8.230 nan 0.000 0.433 56 I N -0.529 120.130 120.570 0.149 0.000 2.163 56 I HA -0.307 3.864 4.170 0.002 0.000 0.243 56 I C 2.533 178.826 176.117 0.293 0.000 1.085 56 I CA 1.641 63.157 61.300 0.359 0.000 1.347 56 I CB -0.515 37.664 38.000 0.299 0.000 1.044 56 I HN 0.259 nan 8.210 nan 0.000 0.408 57 T N 0.694 115.329 114.554 0.135 0.000 2.684 57 T HA -0.188 4.163 4.350 0.002 0.000 0.267 57 T C 2.037 176.774 174.700 0.062 0.000 1.036 57 T CA 1.540 63.691 62.100 0.085 0.000 1.148 57 T CB -0.353 68.525 68.868 0.015 0.000 0.863 57 T HN 0.494 nan 8.240 nan 0.000 0.436 58 A N 1.162 123.963 122.820 -0.030 0.000 1.902 58 A HA 0.012 4.333 4.320 0.002 0.000 0.217 58 A C 2.301 179.943 177.584 0.096 0.000 1.181 58 A CA 1.180 53.170 52.037 -0.078 0.000 0.623 58 A CB -0.687 17.995 19.000 -0.529 0.000 0.818 58 A HN 0.475 nan 8.150 nan 0.000 0.443 59 L N -2.788 118.400 121.223 -0.058 0.000 2.095 59 L HA -0.052 4.289 4.340 0.002 0.000 0.204 59 L C 1.895 178.645 176.870 -0.199 0.000 1.080 59 L CA 0.796 55.510 54.840 -0.211 0.000 0.759 59 L CB -0.378 41.101 42.059 -0.967 0.000 0.914 59 L HN 0.610 nan 8.230 nan 0.000 0.439 60 W N 0.721 122.130 121.300 0.183 0.000 2.702 60 W HA 0.142 4.804 4.660 0.004 0.000 0.369 60 W C 1.196 177.788 176.519 0.122 0.000 0.987 60 W CA -0.209 57.226 57.345 0.149 0.000 1.702 60 W CB 0.035 29.582 29.460 0.146 0.000 1.138 60 W HN 0.327 nan 8.180 nan 0.000 0.552 61 E N 1.006 121.352 120.200 0.244 0.000 3.549 61 E HA -0.453 3.898 4.350 0.002 0.000 0.447 61 E C 1.176 177.832 176.600 0.093 0.000 1.471 61 E CA 2.519 58.992 56.400 0.121 0.000 1.397 61 E CB -1.161 28.569 29.700 0.050 0.000 1.307 61 E HN 0.274 nan 8.360 nan 0.000 0.346 62 E N -0.523 119.712 120.200 0.058 0.000 2.385 62 E HA -0.028 4.324 4.350 0.002 0.000 0.194 62 E C 0.005 176.419 176.600 -0.310 0.000 1.013 62 E CA 0.256 56.534 56.400 -0.204 0.000 0.866 62 E CB 0.303 29.738 29.700 -0.442 0.000 0.832 62 E HN 0.384 nan 8.360 nan 0.000 0.500 63 W N 2.283 123.656 121.300 0.121 0.000 1.809 63 W HA 0.280 4.940 4.660 0.001 0.000 0.298 63 W C -2.636 173.906 176.519 0.038 0.000 0.905 63 W CA -1.671 55.719 57.345 0.076 0.000 1.872 63 W CB 0.856 30.355 29.460 0.065 0.000 2.092 63 W HN -0.024 nan 8.180 nan 0.000 0.403 64 P HA 0.155 nan 4.420 nan 0.000 0.275 64 P C -1.872 175.225 177.300 -0.339 0.000 1.227 64 P CA -0.750 62.200 63.100 -0.250 0.000 0.781 64 P CB 0.698 32.301 31.700 -0.162 0.000 0.906 65 P HA 0.042 nan 4.420 nan 0.000 0.274 65 P C 1.023 178.147 177.300 -0.294 0.000 1.246 65 P CA -0.228 62.660 63.100 -0.353 0.000 0.795 65 P CB 0.371 31.855 31.700 -0.360 0.000 1.006 66 S N -0.021 115.580 115.700 -0.165 0.000 2.419 66 S HA -0.058 4.413 4.470 0.002 0.000 0.233 66 S C 1.638 176.157 174.600 -0.136 0.000 1.016 66 S CA 0.979 59.106 58.200 -0.122 0.000 0.974 66 S CB -1.250 61.908 63.200 -0.069 0.000 0.786 66 S HN 0.674 nan 8.310 nan 0.000 0.492 67 G N 0.019 108.723 108.800 -0.161 0.000 3.518 67 G HA2 0.579 4.540 3.960 0.002 0.000 0.273 67 G HA3 0.579 4.540 3.960 0.002 0.000 0.273 67 G C 1.043 175.814 174.900 -0.215 0.000 1.199 67 G CA 0.143 45.155 45.100 -0.146 0.000 0.899 67 G HN 0.580 nan 8.290 nan 0.000 0.533 68 A N 1.226 123.843 122.820 -0.338 0.000 1.917 68 A HA -0.106 4.216 4.320 0.002 0.000 0.219 68 A C 2.409 179.886 177.584 -0.177 0.000 1.182 68 A CA 1.344 53.089 52.037 -0.488 0.000 0.633 68 A CB -0.267 18.338 19.000 -0.660 0.000 0.819 68 A HN 0.406 nan 8.150 nan 0.000 0.448 69 R N -0.814 119.590 120.500 -0.160 0.000 2.075 69 R HA -0.036 4.305 4.340 0.002 0.000 0.232 69 R C 2.521 178.615 176.300 -0.343 0.000 1.126 69 R CA 1.100 57.071 56.100 -0.214 0.000 0.963 69 R CB -0.457 29.751 30.300 -0.154 0.000 0.858 69 R HN 0.522 nan 8.270 nan 0.000 0.435 70 A N 0.665 123.384 122.820 -0.169 0.000 1.908 70 A HA -0.171 4.151 4.320 0.002 0.000 0.218 70 A C 2.212 179.702 177.584 -0.156 0.000 1.181 70 A CA 1.807 53.796 52.037 -0.080 0.000 0.627 70 A CB -0.461 18.519 19.000 -0.032 0.000 0.818 70 A HN 0.227 nan 8.150 nan 0.000 0.445 71 S N -0.075 115.497 115.700 -0.214 0.000 2.368 71 S HA -0.127 4.344 4.470 0.002 0.000 0.225 71 S C 1.829 176.008 174.600 -0.701 0.000 1.030 71 S CA 1.403 59.344 58.200 -0.432 0.000 0.999 71 S CB -0.374 62.721 63.200 -0.174 0.000 0.844 71 S HN 0.481 nan 8.310 nan 0.000 0.459 72 I N 1.745 122.156 120.570 -0.266 0.000 2.163 72 I HA -0.175 3.996 4.170 0.002 0.000 0.243 72 I C 2.262 178.292 176.117 -0.144 0.000 1.085 72 I CA 1.613 62.848 61.300 -0.110 0.000 1.347 72 I CB -1.725 36.259 38.000 -0.026 0.000 1.044 72 I HN 0.341 nan 8.210 nan 0.000 0.408 73 H N 0.660 119.683 119.070 -0.079 0.000 2.352 73 H HA -0.089 4.468 4.556 0.002 0.000 0.299 73 H C 2.539 177.807 175.328 -0.101 0.000 1.097 73 H CA 1.619 57.630 56.048 -0.061 0.000 1.311 73 H CB -0.580 29.178 29.762 -0.006 0.000 1.377 73 H HN 0.249 nan 8.280 nan 0.000 0.504 74 S N 0.151 115.819 115.700 -0.053 0.000 2.368 74 S HA -0.129 4.342 4.470 0.002 0.000 0.225 74 S C 2.114 176.704 174.600 -0.017 0.000 1.030 74 S CA 0.955 59.107 58.200 -0.081 0.000 0.999 74 S CB -0.460 62.641 63.200 -0.166 0.000 0.844 74 S HN 0.516 nan 8.310 nan 0.000 0.459 75 Y N 0.932 121.233 120.300 0.000 0.000 2.181 75 Y HA -0.144 4.408 4.550 0.004 0.000 0.288 75 Y C 2.557 178.404 175.900 -0.088 0.000 1.146 75 Y CA 0.499 58.574 58.100 -0.042 0.000 1.164 75 Y CB -0.510 37.912 38.460 -0.063 0.000 0.982 75 Y HN 0.067 nan 8.280 nan 0.000 0.515 76 V N -0.769 119.143 119.914 -0.003 0.000 2.295 76 V HA -0.315 3.806 4.120 0.002 0.000 0.246 76 V C 2.498 178.565 176.094 -0.045 0.000 1.049 76 V CA 2.045 64.263 62.300 -0.135 0.000 1.024 76 V CB -0.790 30.789 31.823 -0.407 0.000 0.648 76 V HN 0.414 nan 8.190 nan 0.000 0.447 77 S N 0.360 116.057 115.700 -0.005 0.000 2.359 77 S HA -0.236 4.235 4.470 0.002 0.000 0.224 77 S C 1.945 176.561 174.600 0.027 0.000 1.035 77 S CA 1.978 60.188 58.200 0.016 0.000 1.018 77 S CB -0.463 62.750 63.200 0.022 0.000 0.876 77 S HN 0.653 nan 8.310 nan 0.000 0.448 78 N N 1.502 120.229 118.700 0.046 0.000 2.069 78 N HA -0.020 4.722 4.740 0.002 0.000 0.191 78 N C 1.788 177.322 175.510 0.040 0.000 1.031 78 N CA 1.384 54.466 53.050 0.054 0.000 0.852 78 N CB -0.754 37.789 38.487 0.092 0.000 1.018 78 N HN 0.408 nan 8.380 nan 0.000 0.423 79 L N 0.690 121.933 121.223 0.033 0.000 2.083 79 L HA -0.074 4.267 4.340 0.002 0.000 0.209 79 L C 2.449 179.337 176.870 0.030 0.000 1.083 79 L CA 0.937 55.792 54.840 0.025 0.000 0.752 79 L CB -0.205 41.855 42.059 0.001 0.000 0.899 79 L HN 0.122 nan 8.230 nan 0.000 0.433 80 R N 0.052 120.566 120.500 0.022 0.000 2.096 80 R HA -0.162 4.179 4.340 0.002 0.000 0.235 80 R C 2.315 178.633 176.300 0.029 0.000 1.127 80 R CA 1.277 57.394 56.100 0.028 0.000 0.968 80 R CB -0.160 30.155 30.300 0.025 0.000 0.861 80 R HN 0.314 nan 8.270 nan 0.000 0.440 81 K N 0.515 120.931 120.400 0.026 0.000 2.057 81 K HA -0.120 4.201 4.320 0.002 0.000 0.207 81 K C 2.096 178.709 176.600 0.021 0.000 1.049 81 K CA 1.203 57.503 56.287 0.022 0.000 0.931 81 K CB -0.123 32.390 32.500 0.022 0.000 0.714 81 K HN 0.138 nan 8.250 nan 0.000 0.440 82 L N 0.736 121.973 121.223 0.024 0.000 2.017 82 L HA -0.197 4.144 4.340 0.002 0.000 0.208 82 L C 2.301 179.184 176.870 0.020 0.000 1.073 82 L CA 1.140 55.991 54.840 0.019 0.000 0.745 82 L CB -0.482 41.591 42.059 0.022 0.000 0.894 82 L HN 0.172 nan 8.230 nan 0.000 0.432 83 L N -0.320 120.928 121.223 0.041 0.000 2.131 83 L HA -0.124 4.217 4.340 0.002 0.000 0.210 83 L C 2.616 179.505 176.870 0.032 0.000 1.092 83 L CA 1.172 56.044 54.840 0.053 0.000 0.759 83 L CB -1.103 41.009 42.059 0.087 0.000 0.903 83 L HN 0.326 nan 8.230 nan 0.000 0.435 84 G N -0.227 108.589 108.800 0.026 0.000 2.479 84 G HA2 -0.188 3.773 3.960 0.002 0.000 0.220 84 G HA3 -0.188 3.773 3.960 0.002 0.000 0.220 84 G C 1.556 176.461 174.900 0.010 0.000 1.115 84 G CA 0.665 45.776 45.100 0.019 0.000 0.757 84 G HN 0.503 nan 8.290 nan 0.000 0.560 85 G N 0.579 109.382 108.800 0.004 0.000 2.509 85 G HA2 0.139 4.100 3.960 0.002 0.000 0.218 85 G HA3 0.139 4.100 3.960 0.002 0.000 0.218 85 G C 1.615 176.509 174.900 -0.011 0.000 1.124 85 G CA 1.055 46.153 45.100 -0.005 0.000 0.776 85 G HN 0.598 nan 8.290 nan 0.000 0.547 86 A N -0.258 122.556 122.820 -0.010 0.000 2.251 86 A HA 0.484 4.805 4.320 0.002 0.000 0.209 86 A C 1.964 179.546 177.584 -0.003 0.000 1.187 86 A CA 1.133 53.162 52.037 -0.013 0.000 0.823 86 A CB -0.450 18.539 19.000 -0.019 0.000 0.846 86 A HN 1.473 nan 8.150 nan 0.000 0.486 87 G N -0.605 108.197 108.800 0.002 0.000 2.143 87 G HA2 -0.241 3.720 3.960 0.002 0.000 0.248 87 G HA3 -0.241 3.720 3.960 0.002 0.000 0.248 87 G C 0.086 174.992 174.900 0.010 0.000 0.991 87 G CA 0.626 45.729 45.100 0.005 0.000 0.689 87 G HN 1.120 nan 8.290 nan 0.000 0.522 88 I N -2.849 117.730 120.570 0.015 0.000 3.204 88 I HA 0.784 4.955 4.170 0.002 0.000 0.313 88 I C 0.074 176.204 176.117 0.022 0.000 1.082 88 I CA -2.604 58.708 61.300 0.020 0.000 1.033 88 I CB 0.767 38.784 38.000 0.028 0.000 1.304 88 I HN -0.084 nan 8.210 nan 0.000 0.536 89 D N 2.012 122.426 120.400 0.024 0.000 2.365 89 D HA 0.310 4.951 4.640 0.002 0.000 0.237 89 D C -1.907 174.411 176.300 0.031 0.000 1.190 89 D CA -2.122 51.893 54.000 0.024 0.000 0.867 89 D CB 1.360 42.172 40.800 0.021 0.000 1.050 89 D HN 0.259 nan 8.370 nan 0.000 0.491 90 P HA -0.054 nan 4.420 nan 0.000 0.220 90 P C 1.060 178.386 177.300 0.044 0.000 1.148 90 P CA 0.874 63.998 63.100 0.040 0.000 0.803 90 P CB 0.300 32.022 31.700 0.036 0.000 0.782 91 R N -0.871 119.653 120.500 0.040 0.000 2.189 91 R HA 0.005 4.346 4.340 0.002 0.000 0.218 91 R C 1.870 178.195 176.300 0.042 0.000 1.074 91 R CA 0.765 56.892 56.100 0.046 0.000 0.991 91 R CB -0.711 29.611 30.300 0.037 0.000 0.883 91 R HN 0.155 nan 8.270 nan 0.000 0.457 92 V N -0.008 119.927 119.914 0.034 0.000 2.379 92 V HA -0.131 3.990 4.120 0.002 0.000 0.243 92 V C 2.218 178.332 176.094 0.033 0.000 1.035 92 V CA 1.179 63.496 62.300 0.030 0.000 1.035 92 V CB -0.073 31.765 31.823 0.024 0.000 0.673 92 V HN 0.047 nan 8.190 nan 0.000 0.457 93 V N -0.126 119.811 119.914 0.039 0.000 2.358 93 V HA -0.029 4.092 4.120 0.002 0.000 0.246 93 V C 1.067 177.181 176.094 0.035 0.000 1.047 93 V CA 1.218 63.544 62.300 0.042 0.000 1.035 93 V CB -0.260 31.600 31.823 0.062 0.000 0.658 93 V HN 0.414 nan 8.190 nan 0.000 0.452 94 L N 1.163 122.413 121.223 0.046 0.000 2.387 94 L HA 0.728 5.069 4.340 0.002 0.000 0.259 94 L C 0.023 176.955 176.870 0.103 0.000 1.050 94 L CA -0.856 54.017 54.840 0.055 0.000 0.922 94 L CB -0.041 42.038 42.059 0.033 0.000 1.280 94 L HN 0.082 nan 8.230 nan 0.000 0.449 95 A N 3.587 126.466 122.820 0.098 0.000 2.304 95 A HA 0.834 5.155 4.320 0.002 0.000 0.301 95 A C 0.072 177.730 177.584 0.123 0.000 1.132 95 A CA -0.105 51.987 52.037 0.092 0.000 0.819 95 A CB 0.753 19.776 19.000 0.038 0.000 1.094 95 A HN 0.952 nan 8.150 nan 0.000 0.492 96 A N 1.661 124.522 122.820 0.067 0.000 2.279 96 A HA 0.600 4.921 4.320 0.002 0.000 0.306 96 A C 0.577 178.049 177.584 -0.186 0.000 1.300 96 A CA 0.218 52.173 52.037 -0.137 0.000 0.925 96 A CB -0.463 18.498 19.000 -0.066 0.000 1.152 96 A HN 1.855 nan 8.150 nan 0.000 0.544 97 A N 4.665 127.332 122.820 -0.255 0.000 2.354 97 A HA 0.626 4.947 4.320 0.002 0.000 0.269 97 A C -1.274 176.181 177.584 -0.214 0.000 1.109 97 A CA -1.469 50.460 52.037 -0.179 0.000 0.800 97 A CB 0.099 19.019 19.000 -0.132 0.000 1.045 97 A HN 0.567 nan 8.150 nan 0.000 0.489 98 P HA -0.158 nan 4.420 nan 0.000 0.216 98 P C -1.219 176.021 177.300 -0.100 0.000 1.154 98 P CA 1.596 64.633 63.100 -0.105 0.000 0.865 98 P CB -0.870 30.791 31.700 -0.064 0.000 0.789 99 P HA -0.083 nan 4.420 nan 0.000 0.213 99 P C 1.122 178.363 177.300 -0.097 0.000 1.170 99 P CA 2.158 65.213 63.100 -0.074 0.000 0.902 99 P CB -0.476 31.187 31.700 -0.060 0.000 0.789 100 G N -3.854 104.848 108.800 -0.164 0.000 2.947 100 G HA2 0.343 4.304 3.960 0.002 0.000 0.115 100 G HA3 0.343 4.304 3.960 0.002 0.000 0.115 100 G C -1.619 173.015 174.900 -0.443 0.000 1.214 100 G CA -0.478 44.496 45.100 -0.210 0.000 1.324 100 G HN 0.051 nan 8.290 nan 0.000 0.645 101 Y N 0.155 120.448 120.300 -0.012 0.000 2.499 101 Y HA 0.807 5.359 4.550 0.003 0.000 0.347 101 Y C 0.225 176.101 175.900 -0.040 0.000 0.987 101 Y CA -0.789 57.300 58.100 -0.017 0.000 1.044 101 Y CB 2.467 40.922 38.460 -0.009 0.000 1.245 101 Y HN 0.489 nan 8.280 nan 0.000 0.461 102 R N 2.943 123.510 120.500 0.112 0.000 2.502 102 R HA 0.517 4.858 4.340 0.002 0.000 0.300 102 R C -2.153 174.155 176.300 0.012 0.000 0.984 102 R CA -0.958 55.159 56.100 0.029 0.000 0.882 102 R CB 1.245 31.546 30.300 0.002 0.000 1.180 102 R HN 0.730 nan 8.270 nan 0.000 0.444 103 L N 3.541 124.740 121.223 -0.041 0.000 2.261 103 L HA 0.334 4.675 4.340 0.002 0.000 0.289 103 L C -0.869 175.959 176.870 -0.069 0.000 1.059 103 L CA 0.430 55.221 54.840 -0.082 0.000 0.816 103 L CB 1.575 43.519 42.059 -0.192 0.000 1.191 103 L HN 0.532 nan 8.230 nan 0.000 0.431 104 S N 7.329 123.011 115.700 -0.031 0.000 2.415 104 S HA 0.603 5.074 4.470 0.002 0.000 0.313 104 S C -0.310 174.290 174.600 0.001 0.000 1.067 104 S CA -0.442 57.750 58.200 -0.014 0.000 1.099 104 S CB -0.315 62.887 63.200 0.003 0.000 0.991 104 S HN 0.567 nan 8.310 nan 0.000 0.491 105 I N 0.232 120.799 120.570 -0.006 0.000 2.686 105 I HA 0.645 4.816 4.170 0.002 0.000 0.295 105 I C -3.107 173.029 176.117 0.031 0.000 1.114 105 I CA -3.163 58.157 61.300 0.034 0.000 1.038 105 I CB 1.892 39.924 38.000 0.054 0.000 1.238 105 I HN 0.166 nan 8.210 nan 0.000 0.420 106 P HA 0.114 nan 4.420 nan 0.000 0.266 106 P C -0.265 177.061 177.300 0.042 0.000 1.195 106 P CA 0.111 63.234 63.100 0.038 0.000 0.768 106 P CB 0.633 32.357 31.700 0.040 0.000 0.838 107 D N 1.703 122.122 120.400 0.032 0.000 2.133 107 D HA -0.181 4.461 4.640 0.002 0.000 0.195 107 D C 1.381 177.708 176.300 0.045 0.000 0.997 107 D CA 1.467 55.487 54.000 0.034 0.000 0.840 107 D CB -0.446 40.370 40.800 0.027 0.000 0.947 107 D HN 0.483 nan 8.370 nan 0.000 0.452 108 N N -0.279 118.446 118.700 0.042 0.000 2.571 108 N HA -0.091 4.650 4.740 0.002 0.000 0.189 108 N C 0.892 176.433 175.510 0.052 0.000 1.154 108 N CA 1.074 54.150 53.050 0.044 0.000 0.907 108 N CB -0.772 37.736 38.487 0.034 0.000 0.977 108 N HN 0.188 nan 8.380 nan 0.000 0.449 109 T N -4.148 110.447 114.554 0.069 0.000 3.163 109 T HA 0.220 4.571 4.350 0.002 0.000 0.252 109 T C 0.313 175.096 174.700 0.138 0.000 1.056 109 T CA -0.704 61.450 62.100 0.091 0.000 0.947 109 T CB -1.111 67.823 68.868 0.111 0.000 1.016 109 T HN 0.256 nan 8.240 nan 0.000 0.554 110 C N 2.686 122.051 119.300 0.108 0.000 2.455 110 C HA 0.544 5.005 4.460 0.002 0.000 0.320 110 C C 1.490 176.514 174.990 0.057 0.000 1.226 110 C CA -0.529 58.553 59.018 0.107 0.000 1.569 110 C CB 1.263 29.051 27.740 0.079 0.000 2.200 110 C HN 0.611 nan 8.230 nan 0.000 0.491 111 D N 3.343 123.759 120.400 0.027 0.000 2.123 111 D HA -0.200 4.441 4.640 0.002 0.000 0.196 111 D C 1.592 177.879 176.300 -0.022 0.000 0.992 111 D CA 1.307 55.298 54.000 -0.016 0.000 0.833 111 D CB -0.422 40.333 40.800 -0.076 0.000 0.954 111 D HN 0.488 nan 8.370 nan 0.000 0.455 112 L N 1.062 122.256 121.223 -0.048 0.000 2.046 112 L HA 0.110 4.451 4.340 0.002 0.000 0.208 112 L C 2.395 179.331 176.870 0.110 0.000 1.077 112 L CA 2.254 57.088 54.840 -0.011 0.000 0.747 112 L CB -1.128 40.916 42.059 -0.025 0.000 0.896 112 L HN 0.176 nan 8.230 nan 0.000 0.432 113 G N -0.706 108.139 108.800 0.075 0.000 2.440 113 G HA2 -0.283 3.678 3.960 0.002 0.000 0.218 113 G HA3 -0.283 3.678 3.960 0.002 0.000 0.218 113 G C 1.762 176.705 174.900 0.073 0.000 1.154 113 G CA 0.868 46.010 45.100 0.071 0.000 0.767 113 G HN 0.417 nan 8.290 nan 0.000 0.552 114 R N -0.868 119.680 120.500 0.079 0.000 2.075 114 R HA 0.013 4.354 4.340 0.002 0.000 0.232 114 R C 2.312 178.673 176.300 0.102 0.000 1.126 114 R CA 1.109 57.255 56.100 0.076 0.000 0.963 114 R CB -0.555 29.789 30.300 0.073 0.000 0.858 114 R HN 0.432 nan 8.270 nan 0.000 0.435 115 F N 1.512 121.463 119.950 0.001 0.000 2.095 115 F HA -0.245 4.283 4.527 0.002 0.000 0.298 115 F C 2.045 177.863 175.800 0.031 0.000 1.104 115 F CA 1.438 59.456 58.000 0.030 0.000 1.232 115 F CB -0.371 38.638 39.000 0.015 0.000 0.987 115 F HN -0.286 nan 8.300 nan 0.000 0.475 116 V N 0.753 120.686 119.914 0.032 0.000 2.287 116 V HA -0.338 3.783 4.120 0.002 0.000 0.248 116 V C 2.783 178.799 176.094 -0.130 0.000 1.053 116 V CA 1.972 64.226 62.300 -0.076 0.000 1.027 116 V CB -1.666 30.185 31.823 0.048 0.000 0.646 116 V HN 0.529 nan 8.190 nan 0.000 0.447 117 A N -0.668 122.114 122.820 -0.064 0.000 1.902 117 A HA -0.188 4.133 4.320 0.002 0.000 0.217 117 A C 2.224 179.745 177.584 -0.106 0.000 1.181 117 A CA 1.633 53.634 52.037 -0.060 0.000 0.623 117 A CB -0.390 18.600 19.000 -0.017 0.000 0.818 117 A HN 0.530 nan 8.150 nan 0.000 0.443 118 E N -0.170 119.966 120.200 -0.106 0.000 2.072 118 E HA -0.167 4.184 4.350 0.002 0.000 0.190 118 E C 1.998 178.493 176.600 -0.176 0.000 0.982 118 E CA 1.272 57.617 56.400 -0.092 0.000 0.803 118 E CB -0.346 29.355 29.700 0.000 0.000 0.755 118 E HN 0.714 nan 8.360 nan 0.000 0.453 119 K N 0.548 120.764 120.400 -0.307 0.000 2.044 119 K HA -0.149 4.172 4.320 0.002 0.000 0.210 119 K C 2.143 178.605 176.600 -0.231 0.000 1.049 119 K CA 1.945 58.034 56.287 -0.331 0.000 0.927 119 K CB -0.089 32.075 32.500 -0.560 0.000 0.713 119 K HN 0.002 nan 8.250 nan 0.000 0.443 120 T N 0.723 115.152 114.554 -0.209 0.000 2.684 120 T HA -0.171 4.180 4.350 0.002 0.000 0.267 120 T C 1.874 176.487 174.700 -0.145 0.000 1.036 120 T CA 1.476 63.479 62.100 -0.163 0.000 1.148 120 T CB -0.407 68.416 68.868 -0.075 0.000 0.863 120 T HN 0.448 nan 8.240 nan 0.000 0.436 121 A N 1.377 124.077 122.820 -0.199 0.000 1.940 121 A HA 0.061 4.382 4.320 0.002 0.000 0.219 121 A C 2.639 180.014 177.584 -0.349 0.000 1.176 121 A CA 1.949 53.764 52.037 -0.370 0.000 0.631 121 A CB -1.386 17.098 19.000 -0.860 0.000 0.814 121 A HN 0.529 nan 8.150 nan 0.000 0.446 122 G N -0.666 107.994 108.800 -0.233 0.000 2.422 122 G HA2 -0.087 3.874 3.960 0.002 0.000 0.218 122 G HA3 -0.087 3.874 3.960 0.002 0.000 0.218 122 G C 1.498 176.377 174.900 -0.035 0.000 1.146 122 G CA 1.180 46.272 45.100 -0.013 0.000 0.769 122 G HN 0.320 nan 8.290 nan 0.000 0.547 123 V N 0.750 120.585 119.914 -0.132 0.000 2.261 123 V HA -0.211 3.910 4.120 0.002 0.000 0.246 123 V C 2.582 178.569 176.094 -0.178 0.000 1.047 123 V CA 1.956 64.147 62.300 -0.182 0.000 1.015 123 V CB -0.683 30.959 31.823 -0.301 0.000 0.642 123 V HN 0.449 nan 8.190 nan 0.000 0.446 124 H N 0.096 119.136 119.070 -0.050 0.000 2.387 124 H HA -0.055 4.502 4.556 0.002 0.000 0.299 124 H C 2.364 177.669 175.328 -0.038 0.000 1.090 124 H CA 1.671 57.693 56.048 -0.045 0.000 1.332 124 H CB -0.456 29.269 29.762 -0.061 0.000 1.386 124 H HN 0.474 nan 8.280 nan 0.000 0.516 125 A N 1.292 124.159 122.820 0.078 0.000 1.877 125 A HA -0.085 4.237 4.320 0.002 0.000 0.216 125 A C 2.731 180.294 177.584 -0.035 0.000 1.186 125 A CA 1.823 53.885 52.037 0.042 0.000 0.620 125 A CB -0.856 18.216 19.000 0.120 0.000 0.822 125 A HN 0.427 nan 8.150 nan 0.000 0.443 126 A N -0.188 122.640 122.820 0.014 0.000 1.902 126 A HA 0.175 4.496 4.320 0.002 0.000 0.217 126 A C 2.474 180.060 177.584 0.003 0.000 1.181 126 A CA 2.009 54.077 52.037 0.052 0.000 0.623 126 A CB -1.008 18.107 19.000 0.193 0.000 0.818 126 A HN 1.124 nan 8.150 nan 0.000 0.443 127 A N -0.461 122.366 122.820 0.013 0.000 2.024 127 A HA 0.191 4.512 4.320 0.002 0.000 0.220 127 A C 2.163 179.734 177.584 -0.021 0.000 1.164 127 A CA 1.841 53.889 52.037 0.018 0.000 0.643 127 A CB -0.620 18.398 19.000 0.030 0.000 0.806 127 A HN 1.110 nan 8.150 nan 0.000 0.451 128 A N -2.066 120.713 122.820 -0.068 0.000 2.275 128 A HA 0.445 4.766 4.320 0.002 0.000 0.212 128 A C 1.680 179.135 177.584 -0.215 0.000 1.201 128 A CA 1.046 53.025 52.037 -0.097 0.000 0.843 128 A CB -0.776 18.187 19.000 -0.062 0.000 0.873 128 A HN 1.834 nan 8.150 nan 0.000 0.492 129 G N -0.361 108.188 108.800 -0.419 0.000 2.148 129 G HA2 -0.270 3.692 3.960 0.002 0.000 0.254 129 G HA3 -0.270 3.692 3.960 0.002 0.000 0.254 129 G C 0.353 174.659 174.900 -0.990 0.000 0.981 129 G CA 0.269 44.848 45.100 -0.868 0.000 0.670 129 G HN 0.535 nan 8.290 nan 0.000 0.528 130 R N 0.024 120.155 120.500 -0.615 0.000 3.657 130 R HA 0.450 4.791 4.340 0.002 0.000 0.220 130 R C 1.082 177.242 176.300 -0.234 0.000 1.548 130 R CA -0.521 55.382 56.100 -0.328 0.000 1.465 130 R CB -0.415 29.804 30.300 -0.136 0.000 1.330 130 R HN 0.404 nan 8.270 nan 0.000 0.707 131 F N 0.308 120.272 119.950 0.024 0.000 2.206 131 F HA -0.125 4.403 4.527 0.001 0.000 0.298 131 F C 2.175 177.983 175.800 0.013 0.000 1.090 131 F CA 0.499 58.511 58.000 0.020 0.000 1.323 131 F CB 0.224 39.233 39.000 0.014 0.000 1.028 131 F HN 0.272 nan 8.300 nan 0.000 0.492 132 E N 0.367 120.661 120.200 0.157 0.000 2.077 132 E HA -0.251 4.101 4.350 0.002 0.000 0.193 132 E C 2.076 178.697 176.600 0.036 0.000 0.989 132 E CA 1.192 57.640 56.400 0.081 0.000 0.800 132 E CB -0.445 29.283 29.700 0.047 0.000 0.746 132 E HN 0.348 nan 8.360 nan 0.000 0.452 133 Q N 0.659 120.470 119.800 0.019 0.000 2.079 133 Q HA -0.006 4.335 4.340 0.002 0.000 0.200 133 Q C 1.972 177.997 176.000 0.041 0.000 0.974 133 Q CA 1.703 57.493 55.803 -0.022 0.000 0.840 133 Q CB -0.466 28.274 28.738 0.003 0.000 0.898 133 Q HN 0.220 nan 8.270 nan 0.000 0.430 134 A N -0.450 122.446 122.820 0.125 0.000 1.892 134 A HA -0.233 4.088 4.320 0.002 0.000 0.218 134 A C 2.325 179.984 177.584 0.125 0.000 1.188 134 A CA 2.141 54.279 52.037 0.169 0.000 0.631 134 A CB -1.243 17.861 19.000 0.174 0.000 0.822 134 A HN 0.447 nan 8.150 nan 0.000 0.447 135 S N -0.906 114.850 115.700 0.094 0.000 2.368 135 S HA -0.179 4.292 4.470 0.002 0.000 0.225 135 S C 2.184 176.799 174.600 0.025 0.000 1.030 135 S CA 1.445 59.680 58.200 0.059 0.000 0.999 135 S CB -0.340 62.892 63.200 0.053 0.000 0.844 135 S HN 0.614 nan 8.310 nan 0.000 0.459 136 R N -0.319 120.169 120.500 -0.020 0.000 2.081 136 R HA -0.058 4.283 4.340 0.002 0.000 0.235 136 R C 2.376 178.628 176.300 -0.080 0.000 1.131 136 R CA 1.617 57.669 56.100 -0.081 0.000 0.960 136 R CB -0.554 29.649 30.300 -0.162 0.000 0.856 136 R HN 0.544 nan 8.270 nan 0.000 0.436 137 H N 0.598 119.672 119.070 0.006 0.000 2.387 137 H HA -0.076 4.481 4.556 0.001 0.000 0.299 137 H C 2.225 177.541 175.328 -0.021 0.000 1.090 137 H CA 1.274 57.317 56.048 -0.008 0.000 1.332 137 H CB -0.099 29.654 29.762 -0.015 0.000 1.386 137 H HN 0.159 nan 8.280 nan 0.000 0.516 138 L N -0.111 121.172 121.223 0.100 0.000 2.093 138 L HA -0.122 4.219 4.340 0.002 0.000 0.208 138 L C 2.655 179.546 176.870 0.035 0.000 1.085 138 L CA 0.700 55.560 54.840 0.033 0.000 0.755 138 L CB -0.267 41.804 42.059 0.020 0.000 0.904 138 L HN 0.084 nan 8.230 nan 0.000 0.435 139 S N -0.100 115.623 115.700 0.038 0.000 2.370 139 S HA -0.219 4.252 4.470 0.002 0.000 0.226 139 S C 2.194 176.831 174.600 0.063 0.000 1.033 139 S CA 1.325 59.550 58.200 0.042 0.000 1.011 139 S CB -0.303 62.913 63.200 0.027 0.000 0.852 139 S HN 0.514 nan 8.310 nan 0.000 0.457 140 A N 1.513 124.371 122.820 0.063 0.000 1.902 140 A HA 0.104 4.425 4.320 0.002 0.000 0.217 140 A C 2.364 180.020 177.584 0.121 0.000 1.181 140 A CA 1.741 53.827 52.037 0.081 0.000 0.623 140 A CB -1.151 17.896 19.000 0.079 0.000 0.818 140 A HN 0.517 nan 8.150 nan 0.000 0.443 141 A N -0.147 122.741 122.820 0.114 0.000 1.865 141 A HA -0.107 4.215 4.320 0.002 0.000 0.217 141 A C 2.154 179.996 177.584 0.430 0.000 1.191 141 A CA 1.654 53.804 52.037 0.189 0.000 0.623 141 A CB -0.725 18.235 19.000 -0.066 0.000 0.826 141 A HN 0.476 nan 8.150 nan 0.000 0.444 142 L N -1.254 120.135 121.223 0.276 0.000 2.201 142 L HA -0.126 4.215 4.340 0.002 0.000 0.212 142 L C 2.711 179.741 176.870 0.268 0.000 1.105 142 L CA 0.996 55.980 54.840 0.241 0.000 0.775 142 L CB -0.381 41.682 42.059 0.006 0.000 0.913 142 L HN 0.337 nan 8.230 nan 0.000 0.440 143 R N -0.173 120.448 120.500 0.201 0.000 2.193 143 R HA -0.119 4.222 4.340 0.002 0.000 0.229 143 R C 1.822 178.225 176.300 0.173 0.000 1.110 143 R CA 0.672 56.868 56.100 0.159 0.000 0.988 143 R CB -0.037 30.327 30.300 0.106 0.000 0.871 143 R HN 0.349 nan 8.270 nan 0.000 0.458 144 E N -0.682 119.650 120.200 0.220 0.000 2.347 144 E HA -0.122 4.229 4.350 0.002 0.000 0.196 144 E C -0.327 176.286 176.600 0.021 0.000 1.008 144 E CA 0.501 56.970 56.400 0.114 0.000 0.852 144 E CB 0.037 29.805 29.700 0.114 0.000 0.783 144 E HN 0.220 nan 8.360 nan 0.000 0.505 145 W N 1.146 122.445 121.300 -0.003 0.000 2.345 145 W HA 0.202 4.858 4.660 -0.006 0.000 0.308 145 W C 1.586 178.097 176.519 -0.013 0.000 1.273 145 W CA -0.322 56.998 57.345 -0.041 0.000 1.243 145 W CB 0.625 30.044 29.460 -0.068 0.000 1.260 145 W HN -0.118 nan 8.180 nan 0.000 0.509 146 R N 1.830 122.417 120.500 0.145 0.000 2.195 146 R HA 0.405 4.746 4.340 0.002 0.000 0.197 146 R C 0.942 177.308 176.300 0.110 0.000 0.990 146 R CA 0.481 56.639 56.100 0.096 0.000 1.048 146 R CB 0.563 30.881 30.300 0.031 0.000 0.997 146 R HN 0.648 nan 8.270 nan 0.000 0.502 147 G N 0.209 109.094 108.800 0.142 0.000 2.428 147 G HA2 0.206 4.167 3.960 0.002 0.000 0.305 147 G HA3 0.206 4.167 3.960 0.002 0.000 0.305 147 G C -2.981 172.017 174.900 0.164 0.000 1.260 147 G CA -1.020 44.156 45.100 0.126 0.000 0.853 147 G HN -0.246 nan 8.290 nan 0.000 0.480 148 P HA 0.323 nan 4.420 nan 0.000 0.268 148 P C 0.301 177.649 177.300 0.080 0.000 1.204 148 P CA -0.299 62.869 63.100 0.114 0.000 0.768 148 P CB 0.899 32.636 31.700 0.062 0.000 0.842 149 V N 6.005 125.974 119.914 0.091 0.000 2.584 149 V HA -0.135 3.987 4.120 0.002 0.000 0.303 149 V C 1.354 177.459 176.094 0.018 0.000 1.035 149 V CA 0.531 62.840 62.300 0.014 0.000 1.172 149 V CB -1.152 30.671 31.823 0.001 0.000 0.896 149 V HN 0.551 nan 8.190 nan 0.000 0.486 150 L N 3.354 124.577 121.223 0.001 0.000 3.833 150 L HA -0.265 4.076 4.340 0.002 0.000 0.447 150 L C 1.422 178.276 176.870 -0.028 0.000 1.213 150 L CA 0.632 55.458 54.840 -0.023 0.000 0.801 150 L CB -1.215 40.814 42.059 -0.050 0.000 1.676 150 L HN 0.827 nan 8.230 nan 0.000 0.883 151 D N 1.483 121.878 120.400 -0.008 0.000 2.158 151 D HA -0.219 4.422 4.640 0.002 0.000 0.197 151 D C 1.706 178.005 176.300 -0.000 0.000 0.995 151 D CA 1.950 55.951 54.000 0.002 0.000 0.846 151 D CB 0.154 40.961 40.800 0.011 0.000 0.941 151 D HN 0.732 nan 8.370 nan 0.000 0.456 152 D N -0.453 119.944 120.400 -0.005 0.000 2.363 152 D HA -0.116 4.525 4.640 0.002 0.000 0.220 152 D C 1.309 177.625 176.300 0.026 0.000 0.994 152 D CA 0.340 54.342 54.000 0.005 0.000 0.890 152 D CB -0.205 40.592 40.800 -0.005 0.000 0.906 152 D HN 0.372 nan 8.370 nan 0.000 0.530 153 L N -0.282 120.947 121.223 0.010 0.000 3.168 153 L HA 0.342 4.683 4.340 0.002 0.000 0.277 153 L C 1.885 178.811 176.870 0.093 0.000 1.245 153 L CA -0.433 54.452 54.840 0.076 0.000 1.035 153 L CB 0.367 42.330 42.059 -0.160 0.000 1.399 153 L HN -0.241 nan 8.230 nan 0.000 0.580 154 R N 1.021 121.540 120.500 0.031 0.000 2.249 154 R HA -0.147 4.194 4.340 0.002 0.000 0.230 154 R C 1.352 177.646 176.300 -0.010 0.000 1.121 154 R CA 1.525 57.621 56.100 -0.007 0.000 0.997 154 R CB -0.041 30.254 30.300 -0.008 0.000 0.867 154 R HN 0.490 nan 8.270 nan 0.000 0.465 155 D N -0.685 119.718 120.400 0.005 0.000 2.349 155 D HA -0.095 4.546 4.640 0.002 0.000 0.224 155 D C -0.163 176.006 176.300 -0.220 0.000 1.029 155 D CA 0.224 54.161 54.000 -0.104 0.000 0.879 155 D CB -0.128 40.581 40.800 -0.151 0.000 0.906 155 D HN -0.000 nan 8.370 nan 0.000 0.528 156 F N 1.482 121.341 119.950 -0.151 0.000 2.410 156 F HA 0.208 4.736 4.527 0.000 0.000 0.349 156 F C 1.787 177.460 175.800 -0.212 0.000 1.117 156 F CA -0.849 57.054 58.000 -0.162 0.000 1.104 156 F CB 1.782 40.643 39.000 -0.232 0.000 1.122 156 F HN -0.251 nan 8.300 nan 0.000 0.483 157 Q N 3.746 123.581 119.800 0.058 0.000 2.124 157 Q HA -0.219 4.122 4.340 0.002 0.000 0.202 157 Q C 2.169 178.186 176.000 0.029 0.000 0.977 157 Q CA 1.986 57.804 55.803 0.025 0.000 0.850 157 Q CB -0.371 28.386 28.738 0.030 0.000 0.901 157 Q HN 0.787 nan 8.270 nan 0.000 0.429 158 F N -0.844 119.136 119.950 0.051 0.000 2.250 158 F HA -0.110 4.419 4.527 0.003 0.000 0.301 158 F C 1.862 177.688 175.800 0.042 0.000 1.077 158 F CA 0.856 58.864 58.000 0.014 0.000 1.348 158 F CB -0.890 38.086 39.000 -0.039 0.000 1.040 158 F HN -0.142 nan 8.300 nan 0.000 0.509 159 V N 1.268 120.772 119.914 -0.682 0.000 2.407 159 V HA -0.249 3.872 4.120 0.002 0.000 0.248 159 V C 2.342 178.399 176.094 -0.062 0.000 1.055 159 V CA 2.185 64.229 62.300 -0.427 0.000 1.049 159 V CB -0.784 30.758 31.823 -0.469 0.000 0.662 159 V HN 0.427 nan 8.190 nan 0.000 0.455 160 E N 0.636 120.808 120.200 -0.048 0.000 2.023 160 E HA -0.192 4.160 4.350 0.002 0.000 0.196 160 E C -0.245 176.384 176.600 0.048 0.000 1.003 160 E CA 1.793 58.197 56.400 0.005 0.000 0.809 160 E CB -1.281 28.419 29.700 -0.001 0.000 0.755 160 E HN 0.549 nan 8.360 nan 0.000 0.449 161 P HA -0.161 nan 4.420 nan 0.000 0.219 161 P C 1.259 178.636 177.300 0.129 0.000 1.150 161 P CA 1.036 64.189 63.100 0.089 0.000 0.814 161 P CB -0.071 31.686 31.700 0.094 0.000 0.787 162 F N 1.632 121.593 119.950 0.018 0.000 2.113 162 F HA -0.053 4.474 4.527 0.000 0.000 0.297 162 F C 2.389 178.197 175.800 0.014 0.000 1.103 162 F CA 1.576 59.589 58.000 0.022 0.000 1.248 162 F CB -0.968 38.055 39.000 0.038 0.000 0.999 162 F HN -0.093 nan 8.300 nan 0.000 0.475 163 A N -0.638 122.196 122.820 0.023 0.000 1.902 163 A HA -0.174 4.147 4.320 0.002 0.000 0.217 163 A C 2.202 179.762 177.584 -0.040 0.000 1.181 163 A CA 2.301 54.312 52.037 -0.043 0.000 0.623 163 A CB -1.448 17.570 19.000 0.029 0.000 0.818 163 A HN 0.435 nan 8.150 nan 0.000 0.443 164 T N 0.245 114.792 114.554 -0.011 0.000 2.746 164 T HA -0.027 4.324 4.350 0.002 0.000 0.267 164 T C 2.225 176.909 174.700 -0.025 0.000 1.039 164 T CA 1.593 63.691 62.100 -0.003 0.000 1.142 164 T CB -0.453 68.423 68.868 0.014 0.000 0.866 164 T HN 0.605 nan 8.240 nan 0.000 0.444 165 A N 1.276 124.065 122.820 -0.052 0.000 1.902 165 A HA 0.001 4.322 4.320 0.002 0.000 0.217 165 A C 2.254 179.782 177.584 -0.094 0.000 1.181 165 A CA 1.231 53.229 52.037 -0.066 0.000 0.623 165 A CB -0.858 18.101 19.000 -0.067 0.000 0.818 165 A HN 0.495 nan 8.150 nan 0.000 0.443 166 L N -0.021 121.100 121.223 -0.170 0.000 2.275 166 L HA -0.131 4.210 4.340 0.002 0.000 0.215 166 L C 2.305 179.194 176.870 0.031 0.000 1.119 166 L CA 0.667 55.451 54.840 -0.093 0.000 0.790 166 L CB -0.435 41.505 42.059 -0.197 0.000 0.919 166 L HN 0.291 nan 8.230 nan 0.000 0.443 167 V N -1.192 118.713 119.914 -0.015 0.000 2.515 167 V HA -0.191 3.930 4.120 0.002 0.000 0.250 167 V C 2.436 178.475 176.094 -0.091 0.000 1.058 167 V CA 1.259 63.511 62.300 -0.080 0.000 1.064 167 V CB -0.547 31.257 31.823 -0.032 0.000 0.675 167 V HN 0.388 nan 8.190 nan 0.000 0.461 168 E N 0.723 120.897 120.200 -0.043 0.000 2.070 168 E HA -0.240 4.111 4.350 0.002 0.000 0.197 168 E C 2.006 178.604 176.600 -0.003 0.000 1.004 168 E CA 1.774 58.159 56.400 -0.025 0.000 0.805 168 E CB -0.473 29.226 29.700 -0.003 0.000 0.744 168 E HN 0.616 nan 8.360 nan 0.000 0.451 169 D N 0.354 120.781 120.400 0.044 0.000 2.117 169 D HA -0.113 4.528 4.640 0.002 0.000 0.198 169 D C 1.912 178.331 176.300 0.198 0.000 0.982 169 D CA 0.890 54.993 54.000 0.172 0.000 0.828 169 D CB -0.185 40.802 40.800 0.311 0.000 0.967 169 D HN 0.133 nan 8.370 nan 0.000 0.464 170 K N 0.701 121.089 120.400 -0.021 0.000 2.026 170 K HA -0.099 4.222 4.320 0.002 0.000 0.208 170 K C 2.051 178.549 176.600 -0.170 0.000 1.048 170 K CA 0.709 56.838 56.287 -0.264 0.000 0.929 170 K CB -0.032 31.961 32.500 -0.844 0.000 0.713 170 K HN -0.088 nan 8.250 nan 0.000 0.439 171 V N 1.814 121.637 119.914 -0.152 0.000 2.287 171 V HA -0.277 3.844 4.120 0.002 0.000 0.248 171 V C 2.315 178.384 176.094 -0.040 0.000 1.053 171 V CA 1.670 63.888 62.300 -0.136 0.000 1.027 171 V CB -0.354 31.312 31.823 -0.261 0.000 0.646 171 V HN 0.331 nan 8.190 nan 0.000 0.447 172 L N -0.144 121.067 121.223 -0.019 0.000 2.079 172 L HA -0.203 4.138 4.340 0.002 0.000 0.210 172 L C 2.648 179.519 176.870 0.002 0.000 1.081 172 L CA 1.674 56.517 54.840 0.005 0.000 0.752 172 L CB -0.691 41.380 42.059 0.021 0.000 0.896 172 L HN 0.376 nan 8.230 nan 0.000 0.433 173 A N -1.248 121.572 122.820 -0.000 0.000 1.897 173 A HA -0.207 4.114 4.320 0.002 0.000 0.215 173 A C 2.138 179.680 177.584 -0.069 0.000 1.181 173 A CA 1.189 53.201 52.037 -0.043 0.000 0.620 173 A CB -0.702 18.301 19.000 0.005 0.000 0.821 173 A HN 0.391 nan 8.150 nan 0.000 0.443 174 H N 0.107 119.152 119.070 -0.041 0.000 2.352 174 H HA -0.105 4.451 4.556 -0.001 0.000 0.299 174 H C 2.326 177.620 175.328 -0.058 0.000 1.097 174 H CA 2.052 58.061 56.048 -0.065 0.000 1.311 174 H CB -0.702 28.993 29.762 -0.112 0.000 1.377 174 H HN 0.475 nan 8.280 nan 0.000 0.504 175 T N 0.739 115.334 114.554 0.069 0.000 2.737 175 T HA -0.063 4.288 4.350 0.002 0.000 0.265 175 T C 2.327 177.035 174.700 0.013 0.000 1.038 175 T CA 1.244 63.357 62.100 0.022 0.000 1.144 175 T CB -0.444 68.430 68.868 0.010 0.000 0.866 175 T HN 0.435 nan 8.240 nan 0.000 0.434 176 A N 1.586 124.412 122.820 0.011 0.000 1.972 176 A HA -0.106 4.215 4.320 0.002 0.000 0.219 176 A C 2.186 179.780 177.584 0.016 0.000 1.169 176 A CA 2.040 54.083 52.037 0.010 0.000 0.635 176 A CB -0.498 18.503 19.000 0.001 0.000 0.810 176 A HN 0.428 nan 8.150 nan 0.000 0.446 177 K N 0.231 120.641 120.400 0.017 0.000 2.025 177 K HA 0.044 4.365 4.320 0.002 0.000 0.207 177 K C 2.010 178.618 176.600 0.012 0.000 1.049 177 K CA 1.626 57.927 56.287 0.023 0.000 0.933 177 K CB -0.552 31.966 32.500 0.030 0.000 0.714 177 K HN 0.277 nan 8.250 nan 0.000 0.438 178 A N 0.997 123.821 122.820 0.007 0.000 1.883 178 A HA -0.211 4.110 4.320 0.002 0.000 0.217 178 A C 2.056 179.617 177.584 -0.038 0.000 1.186 178 A CA 1.940 53.965 52.037 -0.020 0.000 0.624 178 A CB -0.671 18.311 19.000 -0.030 0.000 0.822 178 A HN 0.533 nan 8.150 nan 0.000 0.444 179 E N -0.478 119.702 120.200 -0.035 0.000 2.058 179 E HA -0.188 4.163 4.350 0.002 0.000 0.194 179 E C 2.364 178.892 176.600 -0.121 0.000 0.997 179 E CA 1.082 57.442 56.400 -0.068 0.000 0.801 179 E CB -0.285 29.390 29.700 -0.042 0.000 0.746 179 E HN 0.630 nan 8.360 nan 0.000 0.450 180 A N 1.490 124.277 122.820 -0.055 0.000 1.877 180 A HA -0.205 4.116 4.320 0.002 0.000 0.216 180 A C 2.009 179.562 177.584 -0.052 0.000 1.186 180 A CA 1.237 53.258 52.037 -0.027 0.000 0.620 180 A CB -0.335 18.720 19.000 0.093 0.000 0.822 180 A HN 0.091 nan 8.150 nan 0.000 0.443 181 E N 0.030 120.212 120.200 -0.030 0.000 2.058 181 E HA -0.183 4.168 4.350 0.002 0.000 0.194 181 E C 2.005 178.569 176.600 -0.059 0.000 0.997 181 E CA 1.304 57.686 56.400 -0.029 0.000 0.801 181 E CB -0.455 29.232 29.700 -0.022 0.000 0.746 181 E HN 0.731 nan 8.360 nan 0.000 0.450 182 I N 1.078 121.598 120.570 -0.083 0.000 2.226 182 I HA -0.254 3.917 4.170 0.002 0.000 0.245 182 I C 2.480 178.513 176.117 -0.139 0.000 1.100 182 I CA 1.096 62.340 61.300 -0.093 0.000 1.374 182 I CB -0.349 37.602 38.000 -0.081 0.000 1.057 182 I HN -0.004 nan 8.210 nan 0.000 0.413 183 A N -0.427 122.242 122.820 -0.253 0.000 2.019 183 A HA -0.216 4.105 4.320 0.002 0.000 0.219 183 A C 2.211 179.669 177.584 -0.210 0.000 1.164 183 A CA 1.582 53.367 52.037 -0.420 0.000 0.644 183 A CB -1.022 17.303 19.000 -1.125 0.000 0.805 183 A HN 0.583 nan 8.150 nan 0.000 0.449 184 C N -1.444 117.801 119.300 -0.092 0.000 2.626 184 C HA 0.448 4.909 4.460 0.002 0.000 0.266 184 C C 1.951 176.940 174.990 -0.003 0.000 1.317 184 C CA 0.286 59.311 59.018 0.011 0.000 1.716 184 C CB -1.058 26.708 27.740 0.043 0.000 1.819 184 C HN 1.061 nan 8.230 nan 0.000 0.578 185 G N 0.874 109.656 108.800 -0.030 0.000 2.141 185 G HA2 -0.228 3.733 3.960 0.002 0.000 0.231 185 G HA3 -0.228 3.733 3.960 0.002 0.000 0.231 185 G C 0.341 175.228 174.900 -0.022 0.000 0.984 185 G CA -0.244 44.842 45.100 -0.023 0.000 0.660 185 G HN 0.584 nan 8.290 nan 0.000 0.525 186 R N 0.159 120.643 120.500 -0.026 0.000 3.039 186 R HA 0.580 4.921 4.340 0.002 0.000 0.336 186 R C 2.134 178.413 176.300 -0.035 0.000 1.258 186 R CA 0.399 56.484 56.100 -0.025 0.000 1.125 186 R CB 0.189 30.478 30.300 -0.018 0.000 1.427 186 R HN 0.365 nan 8.270 nan 0.000 0.588 187 A N 0.918 123.715 122.820 -0.039 0.000 1.908 187 A HA -0.241 4.080 4.320 0.002 0.000 0.218 187 A C 2.184 179.735 177.584 -0.056 0.000 1.181 187 A CA 2.253 54.261 52.037 -0.047 0.000 0.627 187 A CB -0.369 18.611 19.000 -0.034 0.000 0.818 187 A HN 0.485 nan 8.150 nan 0.000 0.445 188 S N -0.133 115.545 115.700 -0.037 0.000 2.402 188 S HA 0.112 4.583 4.470 0.002 0.000 0.229 188 S C 1.905 176.480 174.600 -0.041 0.000 1.021 188 S CA 1.195 59.376 58.200 -0.032 0.000 0.974 188 S CB -0.514 62.679 63.200 -0.012 0.000 0.800 188 S HN 0.939 nan 8.310 nan 0.000 0.484 189 A N 1.180 123.978 122.820 -0.038 0.000 2.169 189 A HA 0.321 4.642 4.320 0.002 0.000 0.212 189 A C 2.131 179.686 177.584 -0.049 0.000 1.153 189 A CA 0.865 52.881 52.037 -0.036 0.000 0.756 189 A CB -0.560 18.426 19.000 -0.025 0.000 0.813 189 A HN 1.021 nan 8.150 nan 0.000 0.471 190 V N -3.584 116.290 119.914 -0.067 0.000 3.660 190 V HA 0.178 4.300 4.120 0.002 0.000 0.276 190 V C 1.822 177.840 176.094 -0.127 0.000 1.317 190 V CA 0.415 62.666 62.300 -0.082 0.000 1.097 190 V CB -0.731 31.047 31.823 -0.074 0.000 0.863 190 V HN 0.378 nan 8.190 nan 0.000 0.438 191 I N 1.877 122.354 120.570 -0.155 0.000 2.151 191 I HA -0.240 3.931 4.170 0.002 0.000 0.243 191 I C 2.949 178.956 176.117 -0.183 0.000 1.080 191 I CA 2.066 63.220 61.300 -0.244 0.000 1.339 191 I CB -0.513 37.328 38.000 -0.266 0.000 1.039 191 I HN 0.398 nan 8.210 nan 0.000 0.409 192 A N 0.282 123.034 122.820 -0.113 0.000 1.877 192 A HA -0.294 4.027 4.320 0.002 0.000 0.216 192 A C 2.284 179.805 177.584 -0.105 0.000 1.186 192 A CA 2.161 54.146 52.037 -0.087 0.000 0.620 192 A CB -0.709 18.255 19.000 -0.060 0.000 0.822 192 A HN 0.527 nan 8.150 nan 0.000 0.443 193 E N -0.839 119.297 120.200 -0.106 0.000 2.106 193 E HA -0.164 4.187 4.350 0.002 0.000 0.192 193 E C 1.763 178.266 176.600 -0.162 0.000 0.984 193 E CA 0.986 57.316 56.400 -0.117 0.000 0.806 193 E CB -0.154 29.493 29.700 -0.089 0.000 0.750 193 E HN 0.334 nan 8.360 nan 0.000 0.458 194 L N 1.504 122.621 121.223 -0.177 0.000 2.046 194 L HA -0.135 4.206 4.340 0.002 0.000 0.208 194 L C 2.066 178.782 176.870 -0.257 0.000 1.077 194 L CA 1.765 56.470 54.840 -0.225 0.000 0.747 194 L CB -0.872 41.047 42.059 -0.233 0.000 0.896 194 L HN 0.222 nan 8.230 nan 0.000 0.432 195 E N -0.804 119.273 120.200 -0.205 0.000 2.058 195 E HA -0.237 4.114 4.350 0.002 0.000 0.194 195 E C 2.228 178.747 176.600 -0.135 0.000 0.997 195 E CA 1.271 57.577 56.400 -0.157 0.000 0.801 195 E CB -0.196 29.459 29.700 -0.074 0.000 0.746 195 E HN 0.508 nan 8.360 nan 0.000 0.450 196 A N 1.079 123.821 122.820 -0.131 0.000 1.902 196 A HA -0.168 4.153 4.320 0.002 0.000 0.217 196 A C 2.195 179.712 177.584 -0.111 0.000 1.181 196 A CA 1.138 53.106 52.037 -0.115 0.000 0.623 196 A CB -0.631 18.295 19.000 -0.123 0.000 0.818 196 A HN 0.137 nan 8.150 nan 0.000 0.443 197 L N -0.102 121.017 121.223 -0.175 0.000 2.093 197 L HA -0.143 4.198 4.340 0.002 0.000 0.208 197 L C 2.929 179.694 176.870 -0.176 0.000 1.085 197 L CA 1.731 56.468 54.840 -0.172 0.000 0.755 197 L CB -0.681 41.230 42.059 -0.247 0.000 0.904 197 L HN 0.655 nan 8.230 nan 0.000 0.435 198 T N -3.364 110.995 114.554 -0.325 0.000 2.995 198 T HA -0.195 4.157 4.350 0.002 0.000 0.269 198 T C 1.636 176.181 174.700 -0.257 0.000 1.091 198 T CA 0.656 62.431 62.100 -0.542 0.000 1.128 198 T CB -0.510 67.573 68.868 -1.307 0.000 0.891 198 T HN 0.239 nan 8.240 nan 0.000 0.492 199 F N 2.029 121.824 119.950 -0.257 0.000 2.163 199 F HA 0.144 4.672 4.527 0.002 0.000 0.297 199 F C 2.491 178.161 175.800 -0.216 0.000 1.094 199 F CA 1.409 59.307 58.000 -0.170 0.000 1.290 199 F CB -0.090 38.829 39.000 -0.135 0.000 1.017 199 F HN 0.169 nan 8.300 nan 0.000 0.483 200 E N -1.099 119.033 120.200 -0.113 0.000 2.152 200 E HA -0.179 4.172 4.350 0.002 0.000 0.192 200 E C 0.122 176.340 176.600 -0.637 0.000 0.983 200 E CA 0.882 57.057 56.400 -0.375 0.000 0.818 200 E CB -0.099 29.338 29.700 -0.438 0.000 0.758 200 E HN 0.439 nan 8.360 nan 0.000 0.467 201 H N -0.176 118.772 119.070 -0.203 0.000 2.386 201 H HA 0.172 4.729 4.556 0.001 0.000 0.232 201 H C -1.963 173.256 175.328 -0.181 0.000 1.416 201 H CA -1.619 54.317 56.048 -0.187 0.000 1.285 201 H CB 1.155 30.834 29.762 -0.140 0.000 1.625 201 H HN 0.260 nan 8.280 nan 0.000 0.521 202 P HA -0.129 nan 4.420 nan 0.000 0.226 202 P C 0.560 177.943 177.300 0.138 0.000 1.153 202 P CA 1.107 64.153 63.100 -0.090 0.000 0.777 202 P CB 0.036 31.458 31.700 -0.463 0.000 0.794 203 Y N -0.846 119.581 120.300 0.212 0.000 2.485 203 Y HA 0.217 4.769 4.550 0.003 0.000 0.260 203 Y C 1.159 177.161 175.900 0.169 0.000 1.173 203 Y CA -0.798 57.390 58.100 0.147 0.000 1.252 203 Y CB 0.216 38.712 38.460 0.060 0.000 1.123 203 Y HN -0.305 nan 8.280 nan 0.000 0.524 204 R N 2.015 122.707 120.500 0.320 0.000 2.408 204 R HA 0.079 4.420 4.340 0.002 0.000 0.308 204 R C 0.422 176.910 176.300 0.313 0.000 1.210 204 R CA 0.002 56.236 56.100 0.223 0.000 1.115 204 R CB 0.169 30.523 30.300 0.089 0.000 1.127 204 R HN 0.595 nan 8.270 nan 0.000 0.523 205 E N 2.040 122.402 120.200 0.270 0.000 2.097 205 E HA -0.185 4.166 4.350 0.002 0.000 0.196 205 E C -0.893 175.846 176.600 0.232 0.000 1.000 205 E CA 1.245 57.806 56.400 0.269 0.000 0.804 205 E CB -0.375 29.414 29.700 0.149 0.000 0.740 205 E HN 0.343 nan 8.360 nan 0.000 0.454 206 P HA -0.158 nan 4.420 nan 0.000 0.218 206 P C 1.275 178.619 177.300 0.074 0.000 1.148 206 P CA 1.061 64.219 63.100 0.096 0.000 0.822 206 P CB 0.023 31.757 31.700 0.058 0.000 0.784 207 L N -2.918 118.333 121.223 0.047 0.000 2.056 207 L HA -0.110 4.231 4.340 0.002 0.000 0.207 207 L C 2.356 179.188 176.870 -0.064 0.000 1.078 207 L CA 1.441 56.246 54.840 -0.059 0.000 0.749 207 L CB -0.830 41.133 42.059 -0.161 0.000 0.901 207 L HN 0.026 nan 8.230 nan 0.000 0.433 208 W N 0.043 121.358 121.300 0.025 0.000 2.358 208 W HA -0.189 4.474 4.660 0.005 0.000 0.303 208 W C 2.691 179.246 176.519 0.060 0.000 1.208 208 W CA 1.482 58.854 57.345 0.045 0.000 1.274 208 W CB -0.821 28.668 29.460 0.049 0.000 1.138 208 W HN 0.024 nan 8.180 nan 0.000 0.515 209 T N 0.112 114.831 114.554 0.275 0.000 2.699 209 T HA -0.257 4.094 4.350 0.002 0.000 0.268 209 T C 1.723 176.492 174.700 0.115 0.000 1.036 209 T CA 1.560 63.767 62.100 0.178 0.000 1.147 209 T CB -0.330 68.615 68.868 0.129 0.000 0.862 209 T HN 0.081 nan 8.240 nan 0.000 0.446 210 Q N 0.295 120.134 119.800 0.065 0.000 2.123 210 Q HA 0.088 4.429 4.340 0.002 0.000 0.199 210 Q C 2.390 178.379 176.000 -0.018 0.000 0.966 210 Q CA 0.726 56.536 55.803 0.011 0.000 0.845 210 Q CB -0.752 27.974 28.738 -0.021 0.000 0.907 210 Q HN 0.394 nan 8.270 nan 0.000 0.439 211 L N 0.592 121.796 121.223 -0.032 0.000 2.027 211 L HA -0.091 4.250 4.340 0.002 0.000 0.206 211 L C 2.085 178.961 176.870 0.010 0.000 1.074 211 L CA 1.419 56.193 54.840 -0.110 0.000 0.745 211 L CB -0.623 41.350 42.059 -0.143 0.000 0.898 211 L HN 0.094 nan 8.230 nan 0.000 0.433 212 I N -0.872 119.826 120.570 0.213 0.000 2.208 212 I HA -0.330 3.841 4.170 0.002 0.000 0.245 212 I C 2.232 178.490 176.117 0.235 0.000 1.097 212 I CA 1.775 63.263 61.300 0.313 0.000 1.363 212 I CB -0.771 37.404 38.000 0.292 0.000 1.051 212 I HN 0.288 nan 8.210 nan 0.000 0.413 213 T N 0.749 115.392 114.554 0.148 0.000 2.684 213 T HA -0.212 4.139 4.350 0.002 0.000 0.267 213 T C 2.063 176.841 174.700 0.131 0.000 1.036 213 T CA 1.588 63.771 62.100 0.138 0.000 1.148 213 T CB -0.397 68.518 68.868 0.077 0.000 0.863 213 T HN 0.501 nan 8.240 nan 0.000 0.436 214 A N 0.225 123.065 122.820 0.032 0.000 1.902 214 A HA -0.083 4.238 4.320 0.002 0.000 0.217 214 A C 2.056 179.645 177.584 0.009 0.000 1.181 214 A CA 1.378 53.392 52.037 -0.039 0.000 0.623 214 A CB -1.083 17.823 19.000 -0.157 0.000 0.818 214 A HN 0.641 nan 8.150 nan 0.000 0.443 215 Y N -2.321 118.033 120.300 0.089 0.000 2.145 215 Y HA -0.296 4.255 4.550 0.002 0.000 0.286 215 Y C 2.417 178.392 175.900 0.126 0.000 1.145 215 Y CA 1.864 60.023 58.100 0.097 0.000 1.148 215 Y CB -0.488 38.042 38.460 0.117 0.000 0.981 215 Y HN 0.484 nan 8.280 nan 0.000 0.507 216 Y N 0.317 120.733 120.300 0.195 0.000 2.224 216 Y HA -0.234 4.317 4.550 0.001 0.000 0.289 216 Y C 1.808 177.748 175.900 0.067 0.000 1.146 216 Y CA 1.312 59.477 58.100 0.108 0.000 1.182 216 Y CB -0.203 38.307 38.460 0.083 0.000 0.983 216 Y HN 0.034 nan 8.280 nan 0.000 0.524 217 L N -0.687 120.558 121.223 0.037 0.000 2.591 217 L HA 0.004 4.346 4.340 0.002 0.000 0.228 217 L C 1.099 177.941 176.870 -0.046 0.000 1.133 217 L CA 0.333 55.133 54.840 -0.066 0.000 0.880 217 L CB -0.082 41.971 42.059 -0.010 0.000 1.033 217 L HN 0.044 nan 8.230 nan 0.000 0.450 218 S N -0.732 114.969 115.700 0.003 0.000 2.561 218 S HA 0.056 4.527 4.470 0.002 0.000 0.245 218 S C 0.148 174.757 174.600 0.014 0.000 1.001 218 S CA -0.338 57.870 58.200 0.014 0.000 1.002 218 S CB -0.159 63.069 63.200 0.047 0.000 0.805 218 S HN 0.351 nan 8.310 nan 0.000 0.458 219 D N 2.262 122.641 120.400 -0.035 0.000 2.708 219 D HA -0.183 4.458 4.640 0.002 0.000 0.236 219 D C -0.080 176.230 176.300 0.015 0.000 1.146 219 D CA 0.715 54.690 54.000 -0.041 0.000 0.662 219 D CB -0.796 39.983 40.800 -0.035 0.000 1.059 219 D HN 0.433 nan 8.370 nan 0.000 0.428 220 R N 0.336 120.876 120.500 0.066 0.000 2.835 220 R HA 0.161 4.502 4.340 0.002 0.000 0.290 220 R C 1.408 177.776 176.300 0.113 0.000 1.410 220 R CA -0.302 55.851 56.100 0.089 0.000 1.590 220 R CB 0.591 30.981 30.300 0.150 0.000 1.288 220 R HN 0.252 nan 8.270 nan 0.000 0.637 221 Q N 0.469 120.344 119.800 0.124 0.000 2.096 221 Q HA -0.189 4.152 4.340 0.002 0.000 0.204 221 Q C 1.659 177.722 176.000 0.104 0.000 0.982 221 Q CA 2.102 58.033 55.803 0.213 0.000 0.850 221 Q CB 0.122 28.990 28.738 0.216 0.000 0.901 221 Q HN 0.366 nan 8.270 nan 0.000 0.422 222 S N 0.130 115.853 115.700 0.038 0.000 2.382 222 S HA -0.152 4.319 4.470 0.002 0.000 0.228 222 S C 1.311 175.872 174.600 -0.064 0.000 1.027 222 S CA 1.520 59.717 58.200 -0.005 0.000 0.991 222 S CB -0.265 62.928 63.200 -0.011 0.000 0.823 222 S HN 0.446 nan 8.310 nan 0.000 0.469 223 D N 1.283 121.592 120.400 -0.152 0.000 2.144 223 D HA 0.042 4.683 4.640 0.002 0.000 0.200 223 D C 2.203 178.264 176.300 -0.398 0.000 0.978 223 D CA 1.190 54.940 54.000 -0.417 0.000 0.833 223 D CB -0.599 39.730 40.800 -0.786 0.000 0.961 223 D HN 0.474 nan 8.370 nan 0.000 0.470 224 A N 0.766 123.524 122.820 -0.104 0.000 1.877 224 A HA -0.134 4.188 4.320 0.002 0.000 0.216 224 A C 2.387 180.037 177.584 0.110 0.000 1.186 224 A CA 0.980 53.104 52.037 0.144 0.000 0.620 224 A CB -0.850 18.294 19.000 0.240 0.000 0.822 224 A HN 0.210 nan 8.150 nan 0.000 0.443 225 L N -0.701 120.553 121.223 0.053 0.000 2.083 225 L HA -0.134 4.207 4.340 0.002 0.000 0.209 225 L C 2.805 179.726 176.870 0.085 0.000 1.083 225 L CA 1.076 55.951 54.840 0.058 0.000 0.752 225 L CB -0.793 41.279 42.059 0.020 0.000 0.899 225 L HN 0.509 nan 8.230 nan 0.000 0.433 226 G N -0.538 108.278 108.800 0.028 0.000 2.408 226 G HA2 -0.198 3.764 3.960 0.002 0.000 0.217 226 G HA3 -0.198 3.764 3.960 0.002 0.000 0.217 226 G C 1.768 176.704 174.900 0.060 0.000 1.150 226 G CA 0.745 45.856 45.100 0.019 0.000 0.776 226 G HN 0.460 nan 8.290 nan 0.000 0.542 227 A N -0.044 122.846 122.820 0.116 0.000 1.930 227 A HA 0.005 4.326 4.320 0.002 0.000 0.217 227 A C 2.170 179.850 177.584 0.160 0.000 1.175 227 A CA 1.581 53.781 52.037 0.273 0.000 0.627 227 A CB -0.632 18.661 19.000 0.489 0.000 0.815 227 A HN 0.463 nan 8.150 nan 0.000 0.443 228 Y N 0.585 120.912 120.300 0.044 0.000 2.181 228 Y HA -0.198 4.353 4.550 0.002 0.000 0.288 228 Y C 2.499 178.329 175.900 -0.116 0.000 1.146 228 Y CA 2.027 60.100 58.100 -0.046 0.000 1.164 228 Y CB -0.222 38.223 38.460 -0.024 0.000 0.982 228 Y HN 0.232 nan 8.280 nan 0.000 0.515 229 R N -0.141 120.346 120.500 -0.021 0.000 2.096 229 R HA -0.156 4.185 4.340 0.002 0.000 0.235 229 R C 2.403 178.580 176.300 -0.205 0.000 1.127 229 R CA 1.622 57.662 56.100 -0.100 0.000 0.968 229 R CB -0.267 30.036 30.300 0.004 0.000 0.861 229 R HN 0.382 nan 8.270 nan 0.000 0.440 230 R N 0.012 120.400 120.500 -0.185 0.000 2.070 230 R HA -0.099 4.242 4.340 0.002 0.000 0.233 230 R C 2.382 178.403 176.300 -0.465 0.000 1.137 230 R CA 1.427 57.399 56.100 -0.213 0.000 0.945 230 R CB -0.649 29.625 30.300 -0.044 0.000 0.845 230 R HN 0.108 nan 8.270 nan 0.000 0.430 231 V N 1.597 120.992 119.914 -0.865 0.000 2.427 231 V HA -0.247 3.875 4.120 0.002 0.000 0.248 231 V C 2.302 177.996 176.094 -0.665 0.000 1.051 231 V CA 1.796 63.416 62.300 -1.133 0.000 1.048 231 V CB -0.307 30.433 31.823 -1.804 0.000 0.666 231 V HN 0.269 nan 8.190 nan 0.000 0.456 232 K N -0.634 119.376 120.400 -0.651 0.000 2.009 232 K HA -0.201 4.120 4.320 0.002 0.000 0.210 232 K C 2.100 178.527 176.600 -0.288 0.000 1.049 232 K CA 2.331 58.323 56.287 -0.492 0.000 0.929 232 K CB -0.479 31.701 32.500 -0.533 0.000 0.714 232 K HN 0.561 nan 8.250 nan 0.000 0.440 233 T N 0.349 114.758 114.554 -0.241 0.000 2.708 233 T HA -0.128 4.223 4.350 0.002 0.000 0.266 233 T C 1.789 176.417 174.700 -0.120 0.000 1.037 233 T CA 1.906 63.919 62.100 -0.146 0.000 1.146 233 T CB -0.474 68.330 68.868 -0.108 0.000 0.865 233 T HN 0.386 nan 8.240 nan 0.000 0.435 234 T N 2.538 117.004 114.554 -0.147 0.000 2.652 234 T HA -0.012 4.340 4.350 0.002 0.000 0.267 234 T C 1.998 176.686 174.700 -0.020 0.000 1.039 234 T CA 1.050 63.115 62.100 -0.058 0.000 1.153 234 T CB -0.533 68.292 68.868 -0.072 0.000 0.863 234 T HN 0.252 nan 8.240 nan 0.000 0.428 235 L N 0.590 121.756 121.223 -0.096 0.000 2.046 235 L HA -0.078 4.263 4.340 0.002 0.000 0.208 235 L C 3.047 179.857 176.870 -0.101 0.000 1.077 235 L CA 1.158 55.941 54.840 -0.093 0.000 0.747 235 L CB -0.726 41.254 42.059 -0.131 0.000 0.896 235 L HN 0.253 nan 8.230 nan 0.000 0.432 236 A N 0.187 122.946 122.820 -0.102 0.000 1.845 236 A HA -0.224 4.098 4.320 0.002 0.000 0.215 236 A C 1.947 179.492 177.584 -0.065 0.000 1.195 236 A CA 2.052 54.041 52.037 -0.081 0.000 0.616 236 A CB -0.583 18.369 19.000 -0.079 0.000 0.832 236 A HN 0.331 nan 8.150 nan 0.000 0.443 237 D N -0.031 120.337 120.400 -0.054 0.000 2.097 237 D HA -0.088 4.553 4.640 0.002 0.000 0.197 237 D C 1.337 177.615 176.300 -0.037 0.000 0.984 237 D CA 1.564 55.542 54.000 -0.037 0.000 0.826 237 D CB -0.446 40.340 40.800 -0.023 0.000 0.973 237 D HN 0.402 nan 8.370 nan 0.000 0.460 238 D N -0.721 119.658 120.400 -0.035 0.000 2.213 238 D HA 0.061 4.702 4.640 0.002 0.000 0.205 238 D C 1.762 177.968 176.300 -0.156 0.000 0.961 238 D CA 0.540 54.509 54.000 -0.052 0.000 0.853 238 D CB 0.274 41.105 40.800 0.052 0.000 0.967 238 D HN 0.208 nan 8.370 nan 0.000 0.496 239 L N -1.941 119.175 121.223 -0.179 0.000 2.993 239 L HA 0.326 4.667 4.340 0.002 0.000 0.264 239 L C 1.151 177.947 176.870 -0.124 0.000 1.154 239 L CA 0.209 54.926 54.840 -0.205 0.000 0.972 239 L CB 0.715 42.593 42.059 -0.301 0.000 1.373 239 L HN 0.062 nan 8.230 nan 0.000 0.564 240 G N 2.513 111.256 108.800 -0.095 0.000 2.176 240 G HA2 -0.284 3.677 3.960 0.002 0.000 0.252 240 G HA3 -0.284 3.677 3.960 0.002 0.000 0.252 240 G C 0.135 174.998 174.900 -0.061 0.000 1.024 240 G CA 0.766 45.826 45.100 -0.067 0.000 0.755 240 G HN 0.496 nan 8.290 nan 0.000 0.507 241 I N -3.614 116.913 120.570 -0.072 0.000 2.797 241 I HA 0.779 4.950 4.170 0.002 0.000 0.307 241 I C -0.457 175.623 176.117 -0.062 0.000 1.033 241 I CA -1.489 59.776 61.300 -0.058 0.000 1.071 241 I CB 1.713 39.678 38.000 -0.058 0.000 1.255 241 I HN -0.152 nan 8.210 nan 0.000 0.445 242 D N 3.182 123.555 120.400 -0.044 0.000 2.312 242 D HA 0.386 5.027 4.640 0.002 0.000 0.248 242 D C -2.372 173.901 176.300 -0.044 0.000 1.086 242 D CA -0.813 53.161 54.000 -0.043 0.000 0.948 242 D CB 1.061 41.853 40.800 -0.014 0.000 1.162 242 D HN 0.404 nan 8.370 nan 0.000 0.446 243 P HA 0.147 nan 4.420 nan 0.000 0.269 243 P C 0.187 177.506 177.300 0.031 0.000 1.209 243 P CA -0.259 62.822 63.100 -0.032 0.000 0.776 243 P CB 0.484 32.160 31.700 -0.041 0.000 0.876 244 G N 2.823 111.648 108.800 0.041 0.000 2.653 244 G HA2 0.167 4.128 3.960 0.002 0.000 0.265 244 G HA3 0.167 4.128 3.960 0.002 0.000 0.265 244 G C -1.464 173.473 174.900 0.063 0.000 1.237 244 G CA -0.917 44.213 45.100 0.049 0.000 0.946 244 G HN 0.325 nan 8.290 nan 0.000 0.522 245 P HA -0.079 nan 4.420 nan 0.000 0.218 245 P C 1.733 179.059 177.300 0.043 0.000 1.149 245 P CA 1.390 64.515 63.100 0.042 0.000 0.817 245 P CB 0.017 31.737 31.700 0.034 0.000 0.785 246 T N 0.820 115.406 114.554 0.053 0.000 2.674 246 T HA -0.091 4.261 4.350 0.002 0.000 0.265 246 T C 1.994 176.733 174.700 0.065 0.000 1.039 246 T CA 1.088 63.220 62.100 0.053 0.000 1.150 246 T CB -0.854 68.050 68.868 0.061 0.000 0.864 246 T HN 0.054 nan 8.240 nan 0.000 0.427 247 L N 0.307 121.594 121.223 0.108 0.000 2.017 247 L HA -0.094 4.247 4.340 0.002 0.000 0.208 247 L C 2.960 179.909 176.870 0.132 0.000 1.073 247 L CA 1.428 56.377 54.840 0.181 0.000 0.745 247 L CB -0.404 41.811 42.059 0.260 0.000 0.894 247 L HN 0.177 nan 8.230 nan 0.000 0.432 248 R N -0.376 120.192 120.500 0.113 0.000 2.096 248 R HA -0.146 4.195 4.340 0.002 0.000 0.235 248 R C 2.344 178.585 176.300 -0.099 0.000 1.127 248 R CA 1.328 57.428 56.100 -0.001 0.000 0.968 248 R CB -0.446 29.884 30.300 0.050 0.000 0.861 248 R HN 0.361 nan 8.270 nan 0.000 0.440 249 A N 1.147 123.938 122.820 -0.048 0.000 1.930 249 A HA -0.091 4.230 4.320 0.002 0.000 0.217 249 A C 2.119 179.646 177.584 -0.095 0.000 1.175 249 A CA 0.772 52.773 52.037 -0.059 0.000 0.627 249 A CB -0.411 18.576 19.000 -0.023 0.000 0.815 249 A HN 0.240 nan 8.150 nan 0.000 0.443 250 L N -0.287 120.880 121.223 -0.092 0.000 2.017 250 L HA -0.224 4.117 4.340 0.002 0.000 0.208 250 L C 2.472 179.203 176.870 -0.232 0.000 1.073 250 L CA 2.166 56.933 54.840 -0.121 0.000 0.745 250 L CB -0.468 41.561 42.059 -0.050 0.000 0.894 250 L HN 0.579 nan 8.230 nan 0.000 0.432 251 N N -0.156 118.339 118.700 -0.342 0.000 2.061 251 N HA -0.261 4.480 4.740 0.002 0.000 0.193 251 N C 1.733 177.035 175.510 -0.347 0.000 1.030 251 N CA 1.663 54.402 53.050 -0.520 0.000 0.856 251 N CB 0.038 37.836 38.487 -1.148 0.000 1.023 251 N HN 0.234 nan 8.380 nan 0.000 0.424 252 E N 0.277 120.320 120.200 -0.261 0.000 2.110 252 E HA -0.124 4.227 4.350 0.002 0.000 0.193 252 E C 2.092 178.606 176.600 -0.144 0.000 0.988 252 E CA 0.716 57.014 56.400 -0.171 0.000 0.804 252 E CB -0.172 29.457 29.700 -0.118 0.000 0.745 252 E HN 0.501 nan 8.360 nan 0.000 0.458 253 R N 0.208 120.614 120.500 -0.157 0.000 2.075 253 R HA -0.019 4.322 4.340 0.002 0.000 0.232 253 R C 2.575 178.751 176.300 -0.207 0.000 1.126 253 R CA 0.988 57.004 56.100 -0.141 0.000 0.963 253 R CB -0.349 29.875 30.300 -0.127 0.000 0.858 253 R HN 0.180 nan 8.270 nan 0.000 0.435 254 I N 0.992 121.340 120.570 -0.369 0.000 2.252 254 I HA -0.272 3.899 4.170 0.002 0.000 0.245 254 I C 2.224 178.232 176.117 -0.182 0.000 1.102 254 I CA 1.177 62.177 61.300 -0.500 0.000 1.385 254 I CB -0.240 37.382 38.000 -0.629 0.000 1.064 254 I HN 0.127 nan 8.210 nan 0.000 0.414 255 L N 0.206 121.337 121.223 -0.152 0.000 2.127 255 L HA -0.195 4.146 4.340 0.002 0.000 0.211 255 L C 2.277 179.125 176.870 -0.038 0.000 1.089 255 L CA 1.427 56.219 54.840 -0.081 0.000 0.757 255 L CB -0.459 41.544 42.059 -0.093 0.000 0.899 255 L HN 0.197 nan 8.230 nan 0.000 0.434 256 R N -0.473 120.004 120.500 -0.039 0.000 2.317 256 R HA 0.065 4.406 4.340 0.002 0.000 0.208 256 R C 0.232 176.552 176.300 0.033 0.000 0.914 256 R CA -0.074 56.022 56.100 -0.007 0.000 1.060 256 R CB 0.178 30.469 30.300 -0.015 0.000 1.015 256 R HN 0.284 nan 8.270 nan 0.000 0.498 257 Q N 0.608 120.450 119.800 0.070 0.000 2.461 257 Q HA -0.250 4.092 4.340 0.002 0.000 0.273 257 Q C -0.810 175.293 176.000 0.171 0.000 1.163 257 Q CA 0.719 56.624 55.803 0.171 0.000 0.929 257 Q CB -1.178 27.631 28.738 0.119 0.000 1.334 257 Q HN 0.507 nan 8.270 nan 0.000 0.499 258 Q N 1.046 120.925 119.800 0.132 0.000 2.354 258 Q HA 0.283 4.624 4.340 0.002 0.000 0.244 258 Q C -1.911 174.203 176.000 0.189 0.000 0.969 258 Q CA -1.506 54.362 55.803 0.108 0.000 0.885 258 Q CB 0.582 29.346 28.738 0.045 0.000 1.241 258 Q HN 0.113 nan 8.270 nan 0.000 0.461 259 P HA 0.117 nan 4.420 nan 0.000 0.274 259 P C -1.116 176.270 177.300 0.142 0.000 1.231 259 P CA -0.281 62.900 63.100 0.135 0.000 0.790 259 P CB 0.703 32.443 31.700 0.066 0.000 0.951 260 L N 1.950 123.270 121.223 0.160 0.000 2.334 260 L HA 0.420 4.761 4.340 0.002 0.000 0.272 260 L C 0.485 177.393 176.870 0.062 0.000 1.020 260 L CA 0.175 55.084 54.840 0.116 0.000 0.812 260 L CB 0.676 42.834 42.059 0.165 0.000 1.264 260 L HN 0.325 nan 8.230 nan 0.000 0.439 261 D N 1.005 121.430 120.400 0.041 0.000 2.432 261 D HA 0.402 5.043 4.640 0.002 0.000 0.265 261 D C 0.560 176.859 176.300 -0.001 0.000 1.160 261 D CA -0.153 53.860 54.000 0.022 0.000 0.911 261 D CB 1.539 42.356 40.800 0.028 0.000 1.052 261 D HN 0.593 nan 8.370 nan 0.000 0.508 262 A N 3.648 126.452 122.820 -0.026 0.000 1.969 262 A HA -0.139 4.182 4.320 0.002 0.000 0.218 262 A C 1.990 179.472 177.584 -0.171 0.000 1.169 262 A CA 1.093 53.081 52.037 -0.081 0.000 0.635 262 A CB -0.008 18.937 19.000 -0.091 0.000 0.810 262 A HN 0.427 nan 8.150 nan 0.000 0.445 263 K N -0.351 119.960 120.400 -0.149 0.000 2.031 263 K HA -0.107 4.214 4.320 0.002 0.000 0.205 263 K C 2.183 178.797 176.600 0.024 0.000 1.049 263 K CA 1.416 57.596 56.287 -0.179 0.000 0.939 263 K CB -0.153 32.377 32.500 0.050 0.000 0.717 263 K HN 0.453 nan 8.250 nan 0.000 0.438 264 K N 0.981 121.411 120.400 0.049 0.000 2.057 264 K HA -0.122 4.199 4.320 0.002 0.000 0.207 264 K C 2.194 178.829 176.600 0.057 0.000 1.049 264 K CA 1.563 57.895 56.287 0.075 0.000 0.931 264 K CB 0.041 32.573 32.500 0.054 0.000 0.714 264 K HN -0.036 nan 8.250 nan 0.000 0.440 265 S N 0.506 116.215 115.700 0.015 0.000 2.359 265 S HA -0.187 4.284 4.470 0.002 0.000 0.224 265 S C 2.026 176.634 174.600 0.014 0.000 1.035 265 S CA 1.385 59.591 58.200 0.009 0.000 1.018 265 S CB -0.336 62.858 63.200 -0.009 0.000 0.876 265 S HN 0.539 nan 8.310 nan 0.000 0.448 266 A N 1.378 124.178 122.820 -0.033 0.000 1.933 266 A HA -0.093 4.228 4.320 0.002 0.000 0.218 266 A C 2.069 179.761 177.584 0.180 0.000 1.175 266 A CA 1.352 53.388 52.037 -0.001 0.000 0.628 266 A CB -0.385 18.466 19.000 -0.248 0.000 0.814 266 A HN 0.391 nan 8.150 nan 0.000 0.444 267 K N -0.909 119.648 120.400 0.261 0.000 2.057 267 K HA -0.102 4.219 4.320 0.002 0.000 0.207 267 K C 2.119 178.792 176.600 0.122 0.000 1.049 267 K CA 1.777 58.205 56.287 0.236 0.000 0.931 267 K CB -0.355 32.283 32.500 0.231 0.000 0.714 267 K HN 0.508 nan 8.250 nan 0.000 0.440 268 T N 0.566 115.176 114.554 0.094 0.000 2.746 268 T HA -0.113 4.238 4.350 0.002 0.000 0.267 268 T C 1.884 176.616 174.700 0.053 0.000 1.039 268 T CA 1.746 63.885 62.100 0.064 0.000 1.142 268 T CB -0.351 68.549 68.868 0.052 0.000 0.866 268 T HN 0.273 nan 8.240 nan 0.000 0.444 269 T N 2.079 116.665 114.554 0.053 0.000 2.708 269 T HA -0.037 4.314 4.350 0.002 0.000 0.266 269 T C 2.429 177.149 174.700 0.034 0.000 1.037 269 T CA 1.211 63.335 62.100 0.041 0.000 1.146 269 T CB -0.568 68.321 68.868 0.036 0.000 0.865 269 T HN 0.441 nan 8.240 nan 0.000 0.435 270 A N 1.445 124.292 122.820 0.046 0.000 1.902 270 A HA 0.183 4.504 4.320 0.002 0.000 0.217 270 A C 2.660 180.246 177.584 0.004 0.000 1.181 270 A CA 1.786 53.836 52.037 0.020 0.000 0.623 270 A CB -1.115 17.912 19.000 0.045 0.000 0.818 270 A HN 0.504 nan 8.150 nan 0.000 0.443 271 A N -0.391 122.447 122.820 0.029 0.000 1.908 271 A HA 0.081 4.402 4.320 0.002 0.000 0.218 271 A C 2.409 180.008 177.584 0.024 0.000 1.181 271 A CA 2.002 54.056 52.037 0.028 0.000 0.627 271 A CB -1.401 17.623 19.000 0.040 0.000 0.818 271 A HN 0.738 nan 8.150 nan 0.000 0.445 272 G N -1.089 107.728 108.800 0.027 0.000 2.418 272 G HA2 -0.159 3.802 3.960 0.002 0.000 0.217 272 G HA3 -0.159 3.802 3.960 0.002 0.000 0.217 272 G C 1.552 176.465 174.900 0.020 0.000 1.158 272 G CA 1.653 46.771 45.100 0.029 0.000 0.771 272 G HN 0.453 nan 8.290 nan 0.000 0.545 273 T N 0.853 115.408 114.554 0.002 0.000 2.867 273 T HA -0.063 4.288 4.350 0.002 0.000 0.268 273 T C 2.500 177.177 174.700 -0.039 0.000 1.057 273 T CA 0.972 63.061 62.100 -0.018 0.000 1.136 273 T CB -0.148 68.694 68.868 -0.043 0.000 0.874 273 T HN 0.065 nan 8.240 nan 0.000 0.466 274 V N 1.905 121.790 119.914 -0.048 0.000 2.407 274 V HA -0.199 3.922 4.120 0.002 0.000 0.248 274 V C 2.774 178.882 176.094 0.023 0.000 1.055 274 V CA 1.956 64.234 62.300 -0.035 0.000 1.049 274 V CB -1.182 30.642 31.823 0.002 0.000 0.662 274 V HN 0.534 nan 8.190 nan 0.000 0.455 275 T N 0.025 114.597 114.554 0.029 0.000 2.746 275 T HA -0.171 4.180 4.350 0.002 0.000 0.267 275 T C 1.944 176.674 174.700 0.051 0.000 1.039 275 T CA 1.692 63.818 62.100 0.043 0.000 1.142 275 T CB -0.245 68.649 68.868 0.043 0.000 0.866 275 T HN 0.318 nan 8.240 nan 0.000 0.444 276 V N 1.458 121.401 119.914 0.048 0.000 2.343 276 V HA -0.119 4.002 4.120 0.002 0.000 0.247 276 V C 2.492 178.623 176.094 0.063 0.000 1.051 276 V CA 1.445 63.784 62.300 0.066 0.000 1.036 276 V CB -0.731 31.130 31.823 0.063 0.000 0.654 276 V HN 0.421 nan 8.190 nan 0.000 0.451 277 L N -0.207 121.038 121.223 0.037 0.000 2.079 277 L HA -0.204 4.137 4.340 0.002 0.000 0.210 277 L C 2.388 179.296 176.870 0.064 0.000 1.081 277 L CA 1.590 56.454 54.840 0.041 0.000 0.752 277 L CB -0.707 41.364 42.059 0.019 0.000 0.896 277 L HN 0.335 nan 8.230 nan 0.000 0.433 278 D N -0.267 120.172 120.400 0.066 0.000 2.097 278 D HA -0.210 4.431 4.640 0.002 0.000 0.195 278 D C 2.276 178.611 176.300 0.059 0.000 0.989 278 D CA 1.401 55.439 54.000 0.063 0.000 0.827 278 D CB -0.175 40.660 40.800 0.058 0.000 0.966 278 D HN 0.530 nan 8.370 nan 0.000 0.456 279 Q N 0.299 120.138 119.800 0.064 0.000 2.369 279 Q HA -0.023 4.318 4.340 0.002 0.000 0.206 279 Q C 1.692 177.740 176.000 0.079 0.000 0.963 279 Q CA 0.714 56.556 55.803 0.064 0.000 0.894 279 Q CB -0.126 28.651 28.738 0.065 0.000 0.965 279 Q HN 0.193 nan 8.270 nan 0.000 0.475 280 R N 0.664 121.222 120.500 0.096 0.000 2.240 280 R HA 0.093 4.434 4.340 0.002 0.000 0.203 280 R C 0.097 176.447 176.300 0.084 0.000 1.011 280 R CA 0.804 56.973 56.100 0.116 0.000 1.007 280 R CB 0.395 30.762 30.300 0.112 0.000 0.911 280 R HN 0.150 nan 8.270 nan 0.000 0.468 281 T N 1.009 115.602 114.554 0.065 0.000 2.797 281 T HA 0.397 4.748 4.350 0.002 0.000 0.279 281 T C 0.116 174.841 174.700 0.041 0.000 0.991 281 T CA -0.520 61.610 62.100 0.051 0.000 0.979 281 T CB 2.130 71.025 68.868 0.046 0.000 0.943 281 T HN -0.063 nan 8.240 nan 0.000 0.444 282 M N 1.484 121.105 119.600 0.036 0.000 2.245 282 M HA 0.427 4.908 4.480 0.002 0.000 0.292 282 M C 1.841 178.153 176.300 0.021 0.000 1.176 282 M CA -0.795 54.521 55.300 0.027 0.000 1.035 282 M CB 0.569 33.185 32.600 0.026 0.000 1.440 282 M HN 0.784 nan 8.290 nan 0.000 0.494 283 A N 0.250 123.079 122.820 0.016 0.000 1.978 283 A HA -0.138 4.183 4.320 0.002 0.000 0.220 283 A C 2.142 179.732 177.584 0.010 0.000 1.170 283 A CA 2.203 54.247 52.037 0.011 0.000 0.636 283 A CB -1.005 18.000 19.000 0.009 0.000 0.810 283 A HN 0.930 nan 8.150 nan 0.000 0.448 284 S N -2.082 113.625 115.700 0.011 0.000 2.453 284 S HA 0.293 4.764 4.470 0.002 0.000 0.231 284 S C 1.633 176.239 174.600 0.010 0.000 1.005 284 S CA 1.327 59.533 58.200 0.010 0.000 0.949 284 S CB -0.324 62.883 63.200 0.012 0.000 0.774 284 S HN 1.910 nan 8.310 nan 0.000 0.510 285 G N -0.657 108.152 108.800 0.014 0.000 2.234 285 G HA2 -0.116 3.846 3.960 0.002 0.000 0.235 285 G HA3 -0.116 3.846 3.960 0.002 0.000 0.235 285 G C 0.253 175.165 174.900 0.019 0.000 0.997 285 G CA 0.441 45.549 45.100 0.014 0.000 0.623 285 G HN 1.217 nan 8.290 nan 0.000 0.514 286 Q N 0.762 120.574 119.800 0.021 0.000 2.373 286 Q HA 0.676 5.017 4.340 0.002 0.000 0.255 286 Q C 0.485 176.506 176.000 0.036 0.000 0.980 286 Q CA 0.814 56.633 55.803 0.026 0.000 0.882 286 Q CB 0.169 28.922 28.738 0.025 0.000 1.249 286 Q HN 0.949 nan 8.270 nan 0.000 0.438 287 Q N 0.587 120.412 119.800 0.043 0.000 2.300 287 Q HA 0.421 4.762 4.340 0.002 0.000 0.280 287 Q C -0.122 175.920 176.000 0.070 0.000 1.033 287 Q CA 0.223 56.062 55.803 0.061 0.000 0.903 287 Q CB 0.581 29.359 28.738 0.066 0.000 1.195 287 Q HN 0.941 nan 8.270 nan 0.000 0.386 288 A N 3.539 126.407 122.820 0.081 0.000 2.445 288 A HA 0.260 4.582 4.320 0.002 0.000 0.242 288 A C -0.405 177.242 177.584 0.105 0.000 1.075 288 A CA -0.481 51.604 52.037 0.081 0.000 0.777 288 A CB 0.608 19.649 19.000 0.069 0.000 1.013 288 A HN 0.610 nan 8.150 nan 0.000 0.493 289 V N 2.347 122.325 119.914 0.106 0.000 2.408 289 V HA 0.428 4.549 4.120 0.002 0.000 0.267 289 V C 0.958 177.113 176.094 0.102 0.000 1.047 289 V CA -0.026 62.336 62.300 0.103 0.000 0.937 289 V CB 0.313 32.203 31.823 0.111 0.000 0.999 289 V HN 1.070 nan 8.190 nan 0.000 0.472 290 A N 5.343 128.144 122.820 -0.032 0.000 2.407 290 A HA 0.635 4.956 4.320 0.002 0.000 0.248 290 A C -0.916 176.514 177.584 -0.257 0.000 1.082 290 A CA 0.046 51.919 52.037 -0.273 0.000 0.785 290 A CB 0.145 18.712 19.000 -0.722 0.000 1.020 290 A HN 0.715 nan 8.150 nan 0.000 0.489 291 Y N 0.163 120.186 120.300 -0.462 0.000 2.499 291 Y HA 0.480 5.031 4.550 0.002 0.000 0.347 291 Y C -0.145 175.509 175.900 -0.411 0.000 0.987 291 Y CA -0.496 57.350 58.100 -0.423 0.000 1.044 291 Y CB 2.121 40.218 38.460 -0.606 0.000 1.245 291 Y HN 0.549 nan 8.280 nan 0.000 0.461 292 L N 4.859 126.017 121.223 -0.108 0.000 2.257 292 L HA 0.349 4.690 4.340 0.002 0.000 0.290 292 L C -0.730 176.213 176.870 0.121 0.000 1.044 292 L CA -0.501 54.347 54.840 0.014 0.000 0.810 292 L CB 0.366 42.328 42.059 -0.162 0.000 1.193 292 L HN 0.591 nan 8.230 nan 0.000 0.425 293 H N 2.801 122.090 119.070 0.366 0.000 2.519 293 H HA 0.136 4.693 4.556 0.002 0.000 0.316 293 H C -0.687 174.890 175.328 0.415 0.000 1.065 293 H CA -0.625 55.626 56.048 0.339 0.000 1.264 293 H CB 1.820 31.688 29.762 0.178 0.000 1.413 293 H HN 0.497 nan 8.280 nan 0.000 0.465 294 D N 3.621 124.338 120.400 0.528 0.000 2.371 294 D HA -0.005 4.636 4.640 0.002 0.000 0.256 294 D C 1.276 177.640 176.300 0.106 0.000 1.193 294 D CA -0.086 54.052 54.000 0.230 0.000 0.881 294 D CB 0.803 41.759 40.800 0.259 0.000 1.143 294 D HN 0.519 nan 8.370 nan 0.000 0.473 295 I N 3.419 123.990 120.570 0.001 0.000 2.315 295 I HA -0.239 3.933 4.170 0.002 0.000 0.248 295 I C 2.411 178.534 176.117 0.009 0.000 1.117 295 I CA 0.922 62.238 61.300 0.027 0.000 1.404 295 I CB -0.057 37.961 38.000 0.030 0.000 1.071 295 I HN 0.443 nan 8.210 nan 0.000 0.419 296 A N 0.411 123.214 122.820 -0.030 0.000 1.929 296 A HA -0.159 4.162 4.320 0.002 0.000 0.216 296 A C 2.447 180.034 177.584 0.005 0.000 1.176 296 A CA 2.019 54.042 52.037 -0.022 0.000 0.628 296 A CB -0.522 18.444 19.000 -0.057 0.000 0.816 296 A HN 0.498 nan 8.150 nan 0.000 0.444 297 S N -3.158 112.558 115.700 0.028 0.000 2.497 297 S HA 0.410 4.881 4.470 0.002 0.000 0.221 297 S C 1.513 176.143 174.600 0.051 0.000 1.037 297 S CA 1.181 59.407 58.200 0.044 0.000 0.920 297 S CB 0.129 63.370 63.200 0.068 0.000 0.800 297 S HN 1.880 nan 8.310 nan 0.000 0.505 298 G N 1.710 110.554 108.800 0.073 0.000 2.176 298 G HA2 -0.307 3.654 3.960 0.002 0.000 0.253 298 G HA3 -0.307 3.654 3.960 0.002 0.000 0.253 298 G C 0.111 175.074 174.900 0.105 0.000 0.979 298 G CA 0.155 45.304 45.100 0.081 0.000 0.641 298 G HN 0.761 nan 8.290 nan 0.000 0.530 299 R N 0.887 121.442 120.500 0.093 0.000 2.489 299 R HA 0.473 4.814 4.340 0.002 0.000 0.287 299 R C 0.783 177.100 176.300 0.028 0.000 1.053 299 R CA 0.573 56.673 56.100 0.000 0.000 1.036 299 R CB 0.130 30.372 30.300 -0.097 0.000 0.966 299 R HN 0.352 nan 8.270 nan 0.000 0.432 300 G N 3.792 112.594 108.800 0.004 0.000 2.335 300 G HA2 0.333 4.294 3.960 0.002 0.000 0.316 300 G HA3 0.333 4.294 3.960 0.002 0.000 0.316 300 G C -1.461 173.399 174.900 -0.066 0.000 1.129 300 G CA -0.455 44.728 45.100 0.139 0.000 0.899 300 G HN 0.572 nan 8.290 nan 0.000 0.448 301 Y N 3.574 123.902 120.300 0.047 0.000 2.402 301 Y HA 0.327 4.878 4.550 0.002 0.000 0.332 301 Y C -1.793 173.813 175.900 -0.490 0.000 0.960 301 Y CA -2.433 55.579 58.100 -0.147 0.000 1.228 301 Y CB 2.150 40.530 38.460 -0.133 0.000 1.120 301 Y HN 0.375 nan 8.280 nan 0.000 0.491 302 P HA 0.086 nan 4.420 nan 0.000 0.275 302 P C -0.585 176.466 177.300 -0.415 0.000 1.227 302 P CA -0.088 62.397 63.100 -1.026 0.000 0.781 302 P CB 1.430 32.623 31.700 -0.845 0.000 0.906 303 L N 3.700 124.729 121.223 -0.323 0.000 2.325 303 L HA 0.179 4.521 4.340 0.002 0.000 0.284 303 L C 1.608 178.437 176.870 -0.068 0.000 1.089 303 L CA 0.174 54.945 54.840 -0.116 0.000 0.836 303 L CB 0.196 42.247 42.059 -0.012 0.000 1.184 303 L HN 0.408 nan 8.230 nan 0.000 0.444 304 Q N 2.229 121.999 119.800 -0.050 0.000 2.353 304 Q HA 0.291 4.632 4.340 0.002 0.000 0.240 304 Q C 0.316 176.311 176.000 -0.007 0.000 0.868 304 Q CA 0.007 55.789 55.803 -0.035 0.000 0.944 304 Q CB 1.415 30.122 28.738 -0.051 0.000 1.104 304 Q HN 0.801 nan 8.270 nan 0.000 0.531 305 A N -0.204 122.617 122.820 0.001 0.000 2.387 305 A HA 0.730 5.051 4.320 0.002 0.000 0.298 305 A C 0.653 178.258 177.584 0.034 0.000 1.165 305 A CA 0.076 52.112 52.037 -0.001 0.000 0.814 305 A CB 0.571 19.554 19.000 -0.029 0.000 1.357 305 A HN 0.128 nan 8.150 nan 0.000 0.443 306 A N -0.252 122.581 122.820 0.022 0.000 1.948 306 A HA 0.296 4.617 4.320 0.002 0.000 0.220 306 A C 1.258 178.902 177.584 0.100 0.000 1.177 306 A CA 2.164 54.242 52.037 0.068 0.000 0.636 306 A CB -0.620 18.398 19.000 0.031 0.000 0.815 306 A HN 2.132 nan 8.150 nan 0.000 0.449 307 A N -0.856 121.994 122.820 0.050 0.000 2.318 307 A HA 0.597 4.918 4.320 0.002 0.000 0.317 307 A C -0.332 177.267 177.584 0.024 0.000 1.159 307 A CA -0.273 51.800 52.037 0.060 0.000 0.799 307 A CB 0.828 19.863 19.000 0.058 0.000 1.194 307 A HN 0.127 nan 8.150 nan 0.000 0.479 308 T N 3.212 117.779 114.554 0.023 0.000 2.788 308 T HA 0.372 4.723 4.350 0.002 0.000 0.296 308 T C -0.007 174.673 174.700 -0.033 0.000 1.009 308 T CA -0.282 61.807 62.100 -0.018 0.000 0.949 308 T CB 0.348 69.195 68.868 -0.036 0.000 0.946 308 T HN 0.645 nan 8.240 nan 0.000 0.453 309 R N 2.878 123.361 120.500 -0.029 0.000 2.308 309 R HA 0.600 4.941 4.340 0.002 0.000 0.305 309 R C -0.435 175.839 176.300 -0.045 0.000 1.053 309 R CA -0.412 55.681 56.100 -0.012 0.000 0.957 309 R CB 0.838 31.147 30.300 0.015 0.000 1.022 309 R HN 0.554 nan 8.270 nan 0.000 0.461 310 I N 1.632 122.176 120.570 -0.043 0.000 2.465 310 I HA 0.656 4.828 4.170 0.002 0.000 0.291 310 I C 0.472 176.571 176.117 -0.030 0.000 1.014 310 I CA -0.423 60.817 61.300 -0.101 0.000 1.093 310 I CB 2.280 40.169 38.000 -0.184 0.000 1.267 310 I HN 0.792 nan 8.210 nan 0.000 0.431 311 G N 4.128 112.887 108.800 -0.068 0.000 2.340 311 G HA2 0.204 4.165 3.960 0.002 0.000 0.299 311 G HA3 0.204 4.165 3.960 0.002 0.000 0.299 311 G C -0.295 174.551 174.900 -0.091 0.000 1.291 311 G CA -0.694 44.379 45.100 -0.044 0.000 0.841 311 G HN 0.564 nan 8.290 nan 0.000 0.500 312 R N -0.871 119.577 120.500 -0.085 0.000 2.119 312 R HA 0.260 4.601 4.340 0.002 0.000 0.222 312 R C 0.982 177.232 176.300 -0.083 0.000 1.088 312 R CA 0.117 56.176 56.100 -0.068 0.000 0.984 312 R CB -0.301 29.981 30.300 -0.030 0.000 0.884 312 R HN 0.408 nan 8.270 nan 0.000 0.447 313 L N 2.719 123.836 121.223 -0.178 0.000 2.485 313 L HA -0.054 4.287 4.340 0.002 0.000 0.275 313 L C 1.717 178.518 176.870 -0.115 0.000 1.207 313 L CA 0.027 54.769 54.840 -0.164 0.000 0.855 313 L CB 0.929 42.770 42.059 -0.364 0.000 1.114 313 L HN 0.518 nan 8.230 nan 0.000 0.485 314 H N 2.326 121.371 119.070 -0.043 0.000 2.489 314 H HA -0.174 4.383 4.556 0.002 0.000 0.295 314 H C 0.990 176.322 175.328 0.008 0.000 1.082 314 H CA 1.497 57.537 56.048 -0.013 0.000 1.295 314 H CB -0.291 29.466 29.762 -0.008 0.000 1.380 314 H HN 0.756 nan 8.280 nan 0.000 0.548 315 D N 0.582 120.604 120.400 -0.630 0.000 2.363 315 D HA -0.084 4.557 4.640 0.002 0.000 0.220 315 D C 0.092 176.331 176.300 -0.102 0.000 0.994 315 D CA -0.261 53.534 54.000 -0.342 0.000 0.890 315 D CB -0.358 40.236 40.800 -0.343 0.000 0.906 315 D HN 0.219 nan 8.370 nan 0.000 0.530 316 N N 1.679 120.337 118.700 -0.070 0.000 2.453 316 N HA -0.031 4.710 4.740 0.002 0.000 0.253 316 N C 0.663 176.154 175.510 -0.031 0.000 1.252 316 N CA -0.080 52.957 53.050 -0.022 0.000 0.917 316 N CB 1.231 39.697 38.487 -0.035 0.000 1.117 316 N HN 0.087 nan 8.380 nan 0.000 0.442 317 D N 0.962 121.341 120.400 -0.035 0.000 2.117 317 D HA 0.001 4.642 4.640 0.002 0.000 0.198 317 D C 0.464 176.733 176.300 -0.052 0.000 0.982 317 D CA 1.261 55.240 54.000 -0.036 0.000 0.828 317 D CB 0.477 41.251 40.800 -0.044 0.000 0.967 317 D HN 0.458 nan 8.370 nan 0.000 0.464 318 I N 1.717 122.210 120.570 -0.128 0.000 2.382 318 I HA 0.131 4.303 4.170 0.002 0.000 0.285 318 I C -0.622 175.374 176.117 -0.201 0.000 1.007 318 I CA -0.584 60.567 61.300 -0.248 0.000 1.142 318 I CB 2.355 40.042 38.000 -0.522 0.000 1.289 318 I HN -0.367 nan 8.210 nan 0.000 0.453 319 V N 7.705 127.550 119.914 -0.115 0.000 2.383 319 V HA 0.375 4.496 4.120 0.002 0.000 0.275 319 V C 0.054 176.084 176.094 -0.107 0.000 1.036 319 V CA -0.417 61.835 62.300 -0.080 0.000 0.889 319 V CB 1.372 33.191 31.823 -0.006 0.000 0.985 319 V HN 0.474 nan 8.190 nan 0.000 0.459 320 L N 4.281 125.405 121.223 -0.164 0.000 2.316 320 L HA 0.490 4.832 4.340 0.002 0.000 0.280 320 L C 0.487 177.306 176.870 -0.086 0.000 1.006 320 L CA -0.567 54.115 54.840 -0.262 0.000 0.836 320 L CB 1.500 43.219 42.059 -0.566 0.000 1.221 320 L HN 0.471 nan 8.230 nan 0.000 0.418 321 D N 0.401 120.816 120.400 0.024 0.000 2.310 321 D HA -0.058 4.583 4.640 0.002 0.000 0.212 321 D C 0.755 177.110 176.300 0.092 0.000 0.965 321 D CA 0.610 54.650 54.000 0.065 0.000 0.879 321 D CB 0.237 41.086 40.800 0.081 0.000 0.921 321 D HN 0.388 nan 8.370 nan 0.000 0.510 322 S N 0.231 116.031 115.700 0.166 0.000 2.558 322 S HA 0.172 4.643 4.470 0.002 0.000 0.288 322 S C 1.483 176.140 174.600 0.094 0.000 1.318 322 S CA 0.051 58.340 58.200 0.148 0.000 1.056 322 S CB 1.462 64.794 63.200 0.220 0.000 0.853 322 S HN 0.263 nan 8.310 nan 0.000 0.505 323 A N 3.230 126.091 122.820 0.068 0.000 1.972 323 A HA -0.172 4.149 4.320 0.002 0.000 0.219 323 A C 1.837 179.458 177.584 0.063 0.000 1.169 323 A CA 1.666 53.735 52.037 0.053 0.000 0.635 323 A CB -0.614 18.409 19.000 0.039 0.000 0.810 323 A HN 0.885 nan 8.150 nan 0.000 0.446 324 N N -0.286 118.461 118.700 0.077 0.000 2.467 324 N HA 0.037 4.778 4.740 0.002 0.000 0.184 324 N C 0.066 175.662 175.510 0.143 0.000 1.106 324 N CA 0.474 53.580 53.050 0.093 0.000 0.892 324 N CB -0.689 37.849 38.487 0.084 0.000 0.969 324 N HN 0.188 nan 8.380 nan 0.000 0.454 325 V N 1.327 121.329 119.914 0.147 0.000 2.530 325 V HA 0.148 4.269 4.120 0.002 0.000 0.282 325 V C 0.493 176.708 176.094 0.202 0.000 1.048 325 V CA -0.635 61.792 62.300 0.211 0.000 0.997 325 V CB 1.046 32.922 31.823 0.087 0.000 0.987 325 V HN 0.154 nan 8.190 nan 0.000 0.477 326 S N 4.300 120.192 115.700 0.320 0.000 2.572 326 S HA 0.169 4.640 4.470 0.002 0.000 0.279 326 S C 1.372 175.987 174.600 0.024 0.000 1.341 326 S CA -0.469 57.782 58.200 0.086 0.000 1.043 326 S CB 0.608 63.764 63.200 -0.073 0.000 0.887 326 S HN 0.714 nan 8.310 nan 0.000 0.516 327 R N 0.876 121.335 120.500 -0.070 0.000 2.113 327 R HA -0.149 4.193 4.340 0.002 0.000 0.244 327 R C -0.094 175.910 176.300 -0.494 0.000 1.142 327 R CA 1.570 57.518 56.100 -0.254 0.000 0.953 327 R CB -0.214 29.934 30.300 -0.253 0.000 0.860 327 R HN 0.650 nan 8.270 nan 0.000 0.438 328 H N -1.986 117.089 119.070 0.009 0.000 2.887 328 H HA 0.149 4.707 4.556 0.003 0.000 0.300 328 H C -0.265 175.084 175.328 0.034 0.000 1.038 328 H CA -0.358 55.699 56.048 0.013 0.000 1.352 328 H CB 1.454 31.213 29.762 -0.006 0.000 1.473 328 H HN 0.163 nan 8.280 nan 0.000 0.503 329 H N 2.532 121.629 119.070 0.045 0.000 2.406 329 H HA 0.573 5.130 4.556 0.002 0.000 0.304 329 H C 0.243 175.582 175.328 0.018 0.000 1.042 329 H CA 0.732 56.794 56.048 0.023 0.000 1.360 329 H CB 0.676 30.439 29.762 0.001 0.000 1.448 329 H HN 0.651 nan 8.280 nan 0.000 0.553 330 A N -0.028 122.910 122.820 0.198 0.000 2.594 330 A HA 0.609 4.930 4.320 0.002 0.000 0.291 330 A C -1.711 175.897 177.584 0.040 0.000 1.105 330 A CA -0.536 51.565 52.037 0.106 0.000 0.694 330 A CB 1.668 20.725 19.000 0.095 0.000 1.291 330 A HN 0.078 nan 8.150 nan 0.000 0.410 331 V N 0.978 120.904 119.914 0.019 0.000 2.686 331 V HA 0.434 4.556 4.120 0.002 0.000 0.306 331 V C -0.807 175.283 176.094 -0.007 0.000 1.065 331 V CA -0.162 62.144 62.300 0.010 0.000 0.894 331 V CB 1.624 33.472 31.823 0.042 0.000 1.004 331 V HN 0.717 nan 8.190 nan 0.000 0.424 332 I N 4.272 124.829 120.570 -0.023 0.000 2.321 332 I HA 0.469 4.640 4.170 0.002 0.000 0.291 332 I C -0.470 175.690 176.117 0.072 0.000 0.998 332 I CA -0.690 60.601 61.300 -0.015 0.000 1.227 332 I CB 1.746 39.697 38.000 -0.081 0.000 1.368 332 I HN 0.289 nan 8.210 nan 0.000 0.466 333 V N 5.071 125.045 119.914 0.099 0.000 2.398 333 V HA 0.215 4.336 4.120 0.002 0.000 0.286 333 V C -0.281 175.902 176.094 0.149 0.000 1.026 333 V CA -0.545 61.843 62.300 0.147 0.000 0.868 333 V CB 1.824 33.739 31.823 0.154 0.000 0.982 333 V HN 0.617 nan 8.190 nan 0.000 0.443 334 D N 3.284 123.774 120.400 0.151 0.000 2.347 334 D HA 0.178 4.819 4.640 0.002 0.000 0.235 334 D C 1.244 177.550 176.300 0.009 0.000 1.149 334 D CA -0.023 53.963 54.000 -0.024 0.000 0.850 334 D CB 1.758 42.572 40.800 0.023 0.000 1.061 334 D HN 0.698 nan 8.370 nan 0.000 0.487 335 T N 0.631 115.149 114.554 -0.060 0.000 3.100 335 T HA 0.253 4.604 4.350 0.002 0.000 0.253 335 T C 1.489 176.196 174.700 0.012 0.000 1.118 335 T CA 0.497 62.587 62.100 -0.015 0.000 1.058 335 T CB 0.083 68.921 68.868 -0.049 0.000 0.953 335 T HN 0.562 nan 8.240 nan 0.000 0.515 336 G N -0.029 108.743 108.800 -0.047 0.000 2.217 336 G HA2 -0.281 3.680 3.960 0.002 0.000 0.246 336 G HA3 -0.281 3.680 3.960 0.002 0.000 0.246 336 G C 0.833 175.709 174.900 -0.041 0.000 0.990 336 G CA 0.601 45.685 45.100 -0.027 0.000 0.627 336 G HN 0.577 nan 8.290 nan 0.000 0.522 337 T N -0.554 113.968 114.554 -0.052 0.000 3.176 337 T HA 0.267 4.619 4.350 0.002 0.000 0.259 337 T C 0.617 175.275 174.700 -0.070 0.000 0.978 337 T CA 0.646 62.725 62.100 -0.034 0.000 1.050 337 T CB 0.383 69.273 68.868 0.036 0.000 1.136 337 T HN 0.329 nan 8.240 nan 0.000 0.465 338 N N 0.160 118.802 118.700 -0.097 0.000 2.405 338 N HA 0.437 5.178 4.740 0.002 0.000 0.285 338 N C -1.877 173.516 175.510 -0.195 0.000 1.262 338 N CA -0.464 52.539 53.050 -0.079 0.000 0.773 338 N CB 1.894 40.391 38.487 0.016 0.000 1.490 338 N HN 0.153 nan 8.380 nan 0.000 0.486 339 Y N 0.153 120.507 120.300 0.090 0.000 2.328 339 Y HA 0.409 4.960 4.550 0.003 0.000 0.337 339 Y C 0.395 176.259 175.900 -0.060 0.000 1.008 339 Y CA -0.786 57.338 58.100 0.041 0.000 1.129 339 Y CB 1.467 39.991 38.460 0.107 0.000 1.185 339 Y HN 0.106 nan 8.280 nan 0.000 0.476 340 V N 5.977 125.931 119.914 0.067 0.000 2.588 340 V HA 0.582 4.703 4.120 0.002 0.000 0.304 340 V C -0.968 175.106 176.094 -0.034 0.000 1.042 340 V CA -0.952 61.347 62.300 -0.002 0.000 0.877 340 V CB 1.449 33.274 31.823 0.003 0.000 0.996 340 V HN 0.791 nan 8.190 nan 0.000 0.425 341 I N 6.257 126.780 120.570 -0.077 0.000 2.396 341 I HA 0.528 4.699 4.170 0.002 0.000 0.292 341 I C -0.445 175.652 176.117 -0.033 0.000 0.999 341 I CA -0.207 61.046 61.300 -0.079 0.000 1.310 341 I CB 0.895 38.818 38.000 -0.128 0.000 1.404 341 I HN 0.754 nan 8.210 nan 0.000 0.496 342 N N 5.732 124.424 118.700 -0.013 0.000 2.354 342 N HA 0.201 4.942 4.740 0.002 0.000 0.287 342 N C -1.465 174.055 175.510 0.015 0.000 1.016 342 N CA -0.532 52.521 53.050 0.005 0.000 0.871 342 N CB 1.708 40.206 38.487 0.019 0.000 1.299 342 N HN 0.530 nan 8.380 nan 0.000 0.482 343 D N 2.155 122.561 120.400 0.009 0.000 2.295 343 D HA 0.146 4.787 4.640 0.002 0.000 0.248 343 D C 0.046 176.342 176.300 -0.006 0.000 1.154 343 D CA -0.237 53.770 54.000 0.011 0.000 0.857 343 D CB 0.759 41.553 40.800 -0.010 0.000 1.117 343 D HN 0.382 nan 8.370 nan 0.000 0.468 344 L N 5.455 126.672 121.223 -0.010 0.000 2.727 344 L HA 0.268 4.609 4.340 0.002 0.000 0.237 344 L C 0.740 177.584 176.870 -0.044 0.000 1.370 344 L CA -0.319 54.514 54.840 -0.012 0.000 1.248 344 L CB -0.499 41.572 42.059 0.020 0.000 1.556 344 L HN 0.432 nan 8.230 nan 0.000 0.420 345 R N -0.013 120.457 120.500 -0.050 0.000 3.301 345 R HA -0.162 4.179 4.340 0.002 0.000 0.249 345 R C 0.530 176.771 176.300 -0.099 0.000 0.964 345 R CA 0.569 56.634 56.100 -0.058 0.000 0.653 345 R CB -1.633 28.649 30.300 -0.031 0.000 1.043 345 R HN 0.644 nan 8.270 nan 0.000 0.454 346 S N -1.697 113.892 115.700 -0.185 0.000 2.593 346 S HA 0.230 4.701 4.470 0.002 0.000 0.269 346 S C 1.423 175.915 174.600 -0.181 0.000 1.334 346 S CA -0.363 57.644 58.200 -0.321 0.000 1.015 346 S CB 1.943 64.604 63.200 -0.899 0.000 0.912 346 S HN 0.215 nan 8.310 nan 0.000 0.541 347 S N 1.872 117.492 115.700 -0.133 0.000 2.370 347 S HA -0.102 4.370 4.470 0.002 0.000 0.226 347 S C 1.465 176.068 174.600 0.005 0.000 1.033 347 S CA 1.336 59.514 58.200 -0.038 0.000 1.011 347 S CB -0.514 62.684 63.200 -0.004 0.000 0.852 347 S HN 0.800 nan 8.310 nan 0.000 0.457 348 N N 0.184 118.910 118.700 0.043 0.000 2.282 348 N HA 0.263 5.004 4.740 0.002 0.000 0.185 348 N C 0.862 176.490 175.510 0.197 0.000 1.099 348 N CA 0.784 53.921 53.050 0.145 0.000 0.878 348 N CB 0.785 39.395 38.487 0.205 0.000 0.993 348 N HN 0.446 nan 8.380 nan 0.000 0.481 349 G N 0.287 109.162 108.800 0.125 0.000 2.710 349 G HA2 -0.171 3.790 3.960 0.002 0.000 0.668 349 G HA3 -0.171 3.790 3.960 0.002 0.000 0.668 349 G C -1.129 173.913 174.900 0.237 0.000 1.320 349 G CA -0.654 44.493 45.100 0.078 0.000 0.860 349 G HN 0.018 nan 8.290 nan 0.000 0.538 350 V N 1.750 121.680 119.914 0.026 0.000 2.540 350 V HA 0.618 4.739 4.120 0.002 0.000 0.302 350 V C -0.294 175.719 176.094 -0.135 0.000 1.035 350 V CA -0.824 61.523 62.300 0.079 0.000 0.873 350 V CB 1.903 33.776 31.823 0.085 0.000 0.992 350 V HN 0.808 nan 8.190 nan 0.000 0.428 351 H N 3.327 122.443 119.070 0.076 0.000 2.587 351 H HA 0.557 5.114 4.556 0.002 0.000 0.325 351 H C -1.084 174.273 175.328 0.048 0.000 1.012 351 H CA -0.449 55.639 56.048 0.067 0.000 1.213 351 H CB 2.195 32.011 29.762 0.089 0.000 1.431 351 H HN 0.376 nan 8.280 nan 0.000 0.492 352 V N 4.237 124.211 119.914 0.100 0.000 2.459 352 V HA 0.035 4.156 4.120 0.002 0.000 0.295 352 V C 0.441 176.561 176.094 0.044 0.000 1.029 352 V CA -0.791 61.543 62.300 0.057 0.000 0.874 352 V CB 1.628 33.462 31.823 0.019 0.000 0.985 352 V HN 0.826 nan 8.190 nan 0.000 0.438 353 Q N 4.937 124.732 119.800 -0.008 0.000 2.457 353 Q HA -0.237 4.104 4.340 0.002 0.000 0.283 353 Q C 0.485 176.494 176.000 0.015 0.000 1.234 353 Q CA 1.159 56.938 55.803 -0.039 0.000 0.877 353 Q CB -1.468 27.320 28.738 0.082 0.000 1.250 353 Q HN 1.157 nan 8.270 nan 0.000 0.481 354 H N -2.722 116.434 119.070 0.142 0.000 2.992 354 H HA -0.184 4.373 4.556 0.002 0.000 0.266 354 H C 0.324 175.732 175.328 0.133 0.000 1.200 354 H CA 1.552 57.659 56.048 0.098 0.000 1.135 354 H CB -1.724 28.033 29.762 -0.010 0.000 1.282 354 H HN 0.776 nan 8.280 nan 0.000 0.351 355 E N -0.212 120.114 120.200 0.210 0.000 2.356 355 E HA 0.554 4.905 4.350 0.002 0.000 0.275 355 E C -0.340 176.324 176.600 0.105 0.000 0.904 355 E CA -1.158 55.351 56.400 0.182 0.000 0.757 355 E CB 2.436 32.201 29.700 0.108 0.000 1.232 355 E HN 0.162 nan 8.360 nan 0.000 0.442 356 R N 3.011 123.522 120.500 0.019 0.000 2.449 356 R HA 0.156 4.497 4.340 0.002 0.000 0.296 356 R C 0.268 176.481 176.300 -0.144 0.000 1.047 356 R CA -0.139 55.793 56.100 -0.280 0.000 1.018 356 R CB 0.122 30.287 30.300 -0.225 0.000 0.962 356 R HN 0.671 nan 8.270 nan 0.000 0.428 357 I N 1.581 122.057 120.570 -0.156 0.000 2.581 357 I HA 0.206 4.378 4.170 0.002 0.000 0.288 357 I C 0.903 176.973 176.117 -0.077 0.000 1.047 357 I CA -0.501 60.750 61.300 -0.081 0.000 1.374 357 I CB 1.384 39.350 38.000 -0.056 0.000 1.423 357 I HN 0.627 nan 8.210 nan 0.000 0.549 358 R N 2.144 122.610 120.500 -0.056 0.000 2.100 358 R HA -0.015 4.327 4.340 0.002 0.000 0.220 358 R C 1.368 177.644 176.300 -0.040 0.000 1.091 358 R CA 1.640 57.706 56.100 -0.056 0.000 0.986 358 R CB 0.082 30.343 30.300 -0.067 0.000 0.888 358 R HN 0.998 nan 8.270 nan 0.000 0.444 359 S N -2.569 113.117 115.700 -0.024 0.000 4.074 359 S HA 0.379 4.850 4.470 0.002 0.000 0.220 359 S C -0.143 174.453 174.600 -0.008 0.000 1.164 359 S CA -0.100 58.093 58.200 -0.011 0.000 1.020 359 S CB 0.850 64.053 63.200 0.005 0.000 1.299 359 S HN 0.162 nan 8.310 nan 0.000 0.509 360 A N 1.193 124.011 122.820 -0.004 0.000 2.547 360 A HA 0.787 5.108 4.320 0.002 0.000 0.297 360 A C -1.033 176.548 177.584 -0.004 0.000 1.056 360 A CA -0.267 51.767 52.037 -0.004 0.000 0.688 360 A CB 1.796 20.798 19.000 0.003 0.000 1.282 360 A HN 1.523 nan 8.150 nan 0.000 0.400 361 V N -0.735 119.172 119.914 -0.012 0.000 2.925 361 V HA 0.835 4.956 4.120 0.002 0.000 0.311 361 V C -0.231 175.856 176.094 -0.011 0.000 1.104 361 V CA -0.498 61.798 62.300 -0.006 0.000 0.954 361 V CB 1.426 33.246 31.823 -0.004 0.000 1.022 361 V HN 0.903 nan 8.190 nan 0.000 0.427 362 T N 5.639 120.198 114.554 0.008 0.000 2.870 362 T HA 0.464 4.815 4.350 0.002 0.000 0.300 362 T C 0.027 174.740 174.700 0.021 0.000 0.989 362 T CA 0.180 62.293 62.100 0.021 0.000 1.139 362 T CB 0.168 69.060 68.868 0.040 0.000 0.920 362 T HN 0.602 nan 8.240 nan 0.000 0.537 363 L N 4.567 125.794 121.223 0.006 0.000 2.312 363 L HA 0.386 4.727 4.340 0.002 0.000 0.281 363 L C 0.674 177.643 176.870 0.165 0.000 1.070 363 L CA -0.856 53.974 54.840 -0.017 0.000 0.805 363 L CB 0.578 42.402 42.059 -0.393 0.000 1.174 363 L HN 0.564 nan 8.230 nan 0.000 0.434 364 N N 1.115 119.926 118.700 0.186 0.000 2.466 364 N HA 0.134 4.875 4.740 0.002 0.000 0.294 364 N C -0.826 174.859 175.510 0.291 0.000 1.129 364 N CA -0.699 52.483 53.050 0.220 0.000 0.931 364 N CB 1.320 39.896 38.487 0.149 0.000 1.193 364 N HN 0.493 nan 8.380 nan 0.000 0.500 365 D N -0.194 120.342 120.400 0.227 0.000 2.520 365 D HA 0.213 4.854 4.640 0.002 0.000 0.243 365 D C 1.165 177.552 176.300 0.146 0.000 1.160 365 D CA 1.553 55.645 54.000 0.153 0.000 0.877 365 D CB -0.006 40.850 40.800 0.093 0.000 1.150 365 D HN 0.739 nan 8.370 nan 0.000 0.494 366 G N 3.215 112.101 108.800 0.143 0.000 2.175 366 G HA2 -0.252 3.709 3.960 0.002 0.000 0.244 366 G HA3 -0.252 3.709 3.960 0.002 0.000 0.244 366 G C 0.102 175.118 174.900 0.194 0.000 0.982 366 G CA 0.007 45.196 45.100 0.148 0.000 0.641 366 G HN 0.625 nan 8.290 nan 0.000 0.527 367 D N 0.584 121.126 120.400 0.236 0.000 2.488 367 D HA 0.229 4.870 4.640 0.002 0.000 0.238 367 D C 0.691 177.119 176.300 0.213 0.000 1.138 367 D CA 0.148 54.275 54.000 0.210 0.000 0.873 367 D CB 0.246 41.154 40.800 0.181 0.000 1.183 367 D HN 0.352 nan 8.370 nan 0.000 0.458 368 H N 3.263 122.371 119.070 0.062 0.000 2.690 368 H HA 0.292 4.849 4.556 0.002 0.000 0.314 368 H C -0.459 174.869 175.328 0.000 0.000 1.069 368 H CA -0.066 55.989 56.048 0.013 0.000 1.436 368 H CB 0.363 30.026 29.762 -0.165 0.000 1.462 368 H HN 0.302 nan 8.280 nan 0.000 0.511 369 I N 5.883 126.340 120.570 -0.187 0.000 2.436 369 I HA 0.311 4.482 4.170 0.002 0.000 0.289 369 I C 0.007 176.117 176.117 -0.013 0.000 1.010 369 I CA -0.659 60.632 61.300 -0.014 0.000 1.098 369 I CB 2.051 40.084 38.000 0.055 0.000 1.266 369 I HN 0.384 nan 8.210 nan 0.000 0.434 370 R N 7.079 127.639 120.500 0.101 0.000 2.480 370 R HA 0.667 5.008 4.340 0.002 0.000 0.306 370 R C -1.567 174.840 176.300 0.179 0.000 0.958 370 R CA -0.559 55.619 56.100 0.130 0.000 0.861 370 R CB 1.493 31.887 30.300 0.155 0.000 1.171 370 R HN 0.636 nan 8.270 nan 0.000 0.445 371 I N 6.141 126.805 120.570 0.155 0.000 2.437 371 I HA 0.177 4.348 4.170 0.002 0.000 0.279 371 I C 0.562 176.721 176.117 0.070 0.000 1.028 371 I CA -0.559 60.762 61.300 0.035 0.000 1.142 371 I CB 1.048 38.962 38.000 -0.142 0.000 1.266 371 I HN 0.937 nan 8.210 nan 0.000 0.461 372 C N 3.539 122.895 119.300 0.093 0.000 1.976 372 C HA -0.307 4.154 4.460 0.002 0.000 0.111 372 C C 1.765 176.767 174.990 0.021 0.000 0.830 372 C CA 0.991 60.058 59.018 0.082 0.000 0.873 372 C CB -1.136 26.672 27.740 0.112 0.000 3.215 372 C HN 0.763 nan 8.230 nan 0.000 1.057 373 D N 0.507 120.895 120.400 -0.020 0.000 2.350 373 D HA 0.100 4.742 4.640 0.002 0.000 0.213 373 D C 0.412 176.567 176.300 -0.242 0.000 1.031 373 D CA 0.536 54.456 54.000 -0.132 0.000 0.861 373 D CB -0.270 40.425 40.800 -0.175 0.000 0.926 373 D HN 0.654 nan 8.370 nan 0.000 0.520 374 H N 1.509 120.515 119.070 -0.107 0.000 2.742 374 H HA 0.298 4.855 4.556 0.002 0.000 0.302 374 H C 0.180 175.273 175.328 -0.390 0.000 1.069 374 H CA 0.434 56.325 56.048 -0.262 0.000 1.446 374 H CB 0.969 30.636 29.762 -0.159 0.000 1.462 374 H HN 0.031 nan 8.280 nan 0.000 0.499 375 E N 3.365 123.267 120.200 -0.496 0.000 2.210 375 E HA 0.374 4.725 4.350 0.002 0.000 0.266 375 E C -0.946 175.254 176.600 -0.667 0.000 0.883 375 E CA -0.543 55.590 56.400 -0.447 0.000 0.761 375 E CB 1.850 31.453 29.700 -0.161 0.000 1.156 375 E HN 0.328 nan 8.360 nan 0.000 0.412 376 F N -0.032 119.812 119.950 -0.177 0.000 2.603 376 F HA 0.391 4.920 4.527 0.002 0.000 0.317 376 F C 0.209 175.970 175.800 -0.065 0.000 1.066 376 F CA -0.883 57.091 58.000 -0.043 0.000 0.941 376 F CB 2.104 41.110 39.000 0.010 0.000 1.291 376 F HN 0.119 nan 8.300 nan 0.000 0.472 377 T N 1.986 116.716 114.554 0.294 0.000 2.767 377 T HA 0.315 4.666 4.350 0.002 0.000 0.284 377 T C -1.074 173.809 174.700 0.306 0.000 0.973 377 T CA -0.293 61.964 62.100 0.262 0.000 0.996 377 T CB 0.534 69.546 68.868 0.240 0.000 0.927 377 T HN 0.355 nan 8.240 nan 0.000 0.456 378 F N 3.719 123.728 119.950 0.099 0.000 2.421 378 F HA 0.383 4.911 4.527 0.002 0.000 0.358 378 F C 0.327 176.160 175.800 0.055 0.000 1.115 378 F CA -0.754 57.263 58.000 0.029 0.000 1.160 378 F CB 0.687 39.671 39.000 -0.027 0.000 1.123 378 F HN 0.457 nan 8.300 nan 0.000 0.508 379 Q N 6.488 125.978 119.800 -0.516 0.000 2.333 379 Q HA 0.396 4.737 4.340 0.002 0.000 0.268 379 Q C 0.028 175.641 176.000 -0.644 0.000 1.007 379 Q CA -0.467 55.116 55.803 -0.367 0.000 0.810 379 Q CB 1.460 30.185 28.738 -0.022 0.000 1.264 379 Q HN 0.915 nan 8.270 nan 0.000 0.452 380 I N 1.238 121.539 120.570 -0.449 0.000 2.429 380 I HA -0.049 4.122 4.170 0.002 0.000 0.247 380 I C 0.865 176.925 176.117 -0.094 0.000 1.099 380 I CA 0.197 61.319 61.300 -0.297 0.000 1.422 380 I CB 0.106 38.092 38.000 -0.023 0.000 1.112 380 I HN 0.581 nan 8.210 nan 0.000 0.430 381 S N 2.288 117.959 115.700 -0.048 0.000 2.560 381 S HA 0.400 4.871 4.470 0.002 0.000 0.284 381 S C 0.325 174.912 174.600 -0.022 0.000 1.327 381 S CA -0.803 57.391 58.200 -0.009 0.000 1.055 381 S CB 0.902 64.103 63.200 0.002 0.000 0.868 381 S HN 0.256 nan 8.310 nan 0.000 0.506 382 A N 3.214 126.031 122.820 -0.005 0.000 2.565 382 A HA 0.489 4.811 4.320 0.002 0.000 0.237 382 A C 1.066 178.610 177.584 -0.066 0.000 1.053 382 A CA 0.031 52.058 52.037 -0.016 0.000 0.755 382 A CB -0.811 18.189 19.000 -0.000 0.000 0.980 382 A HN 1.398 nan 8.150 nan 0.000 0.506 383 G N 0.690 109.411 108.800 -0.131 0.000 2.491 383 G HA2 0.384 4.345 3.960 0.002 0.000 0.238 383 G HA3 0.384 4.345 3.960 0.002 0.000 0.238 383 G C 0.864 175.652 174.900 -0.186 0.000 1.277 383 G CA 0.455 45.412 45.100 -0.240 0.000 0.851 383 G HN 1.386 nan 8.290 nan 0.000 0.573 384 T N -2.131 112.304 114.554 -0.199 0.000 3.040 384 T HA 0.254 4.605 4.350 0.002 0.000 0.266 384 T C 0.417 175.112 174.700 -0.009 0.000 1.005 384 T CA 0.160 62.219 62.100 -0.067 0.000 0.906 384 T CB -0.290 68.585 68.868 0.010 0.000 1.082 384 T HN 0.890 nan 8.240 nan 0.000 0.531 385 H N -1.440 117.584 119.070 -0.078 0.000 2.996 385 H HA 0.731 5.289 4.556 0.002 0.000 0.368 385 H C -0.541 174.737 175.328 -0.083 0.000 1.185 385 H CA -0.975 55.030 56.048 -0.071 0.000 1.160 385 H CB 1.692 31.412 29.762 -0.071 0.000 1.820 385 H HN 0.324 nan 8.280 nan 0.000 0.547 386 G N 0.000 108.831 108.800 0.051 0.000 5.446 386 G HA2 0.000 3.961 3.960 0.002 0.000 0.244 386 G HA3 0.000 3.961 3.960 0.002 0.000 0.244 386 G CA 0.000 45.104 45.100 0.006 0.000 0.502 386 G HN 0.000 nan 8.290 nan 0.000 0.925