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 3c2w_1_B DATA FIRST_RESID 5 DATA SEQUENCE TPVTLANCED EPIHVPGAIQ PHGALVTLRA DGMVLAASEN IQALLGFVAS DATA SEQUENCE PGSYLTQEQV GPEVLRMLEE GLTGNGPWSN SVETRIGEHL FDVIGHSYKE DATA SEQUENCE VFYLEFEIRT ADTLSITSFT LNAQRIIAQV QLHNDTASLL SNVTDELRRM DATA SEQUENCE TGYDRVMAYR FRHDDSGEVV AESRREDLES YLGQRYPASD IPAQARRLYI DATA SEQUENCE QNPIRLIADV AYTPMRVFPA LNPETNESFD LSYSVLRSVS PIHCEYLTNM DATA SEQUENCE GVRASMSISI VVGGKLWGLF SCHHMSPKLI PYPVRMSFQI FSQVCSAIVE DATA SEQUENCE RLEQGRIAEL LRVSTERRLA LARRARDADD LFGALAHPDD GIAALIPCDG DATA SEQUENCE ALVMLGGRTL SIRGDFERQA GNVLQRLQRD PERDIYHTDN WXXXXXXXXX DATA SEQUENCE XXXCCGVLAI RFHRQESGWI FWFRHEEVXX XXXXXXXXXX XTIGPSGPRL DATA SEQUENCE TPRGSFEAWE EVVRGHSTPW SETDLAIAEK LRLDLMELCL NHA 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 5 T HA 0.000 nan 4.350 nan 0.000 0.228 5 T C 0.000 174.710 174.700 0.017 0.000 1.109 5 T CA 0.000 62.109 62.100 0.016 0.000 1.349 5 T CB 0.000 68.876 68.868 0.014 0.000 0.612 6 P HA 0.342 nan 4.420 nan 0.000 0.274 6 P C 0.215 177.528 177.300 0.020 0.000 1.291 6 P CA -0.586 62.525 63.100 0.019 0.000 0.815 6 P CB 0.225 31.935 31.700 0.016 0.000 0.897 7 V N 1.658 121.586 119.914 0.024 0.000 2.450 7 V HA 0.256 4.377 4.120 0.001 0.000 0.281 7 V C 0.566 176.676 176.094 0.027 0.000 1.019 7 V CA 0.051 62.367 62.300 0.028 0.000 1.062 7 V CB 0.054 31.898 31.823 0.035 0.000 0.979 7 V HN 0.601 nan 8.190 nan 0.000 0.477 8 T N 3.862 118.430 114.554 0.024 0.000 2.718 8 T HA 0.491 4.841 4.350 0.001 0.000 0.267 8 T C 0.871 175.584 174.700 0.022 0.000 0.957 8 T CA -0.733 61.379 62.100 0.021 0.000 1.025 8 T CB 1.310 70.188 68.868 0.016 0.000 1.355 8 T HN 0.393 nan 8.240 nan 0.000 0.572 9 L N 0.856 122.089 121.223 0.017 0.000 2.027 9 L HA 0.159 4.499 4.340 0.001 0.000 0.206 9 L C 2.842 179.722 176.870 0.017 0.000 1.074 9 L CA 2.268 57.118 54.840 0.017 0.000 0.745 9 L CB -1.803 40.262 42.059 0.011 0.000 0.898 9 L HN 0.812 nan 8.230 nan 0.000 0.433 10 A N -0.931 121.898 122.820 0.014 0.000 2.206 10 A HA -0.146 4.174 4.320 0.001 0.000 0.211 10 A C 1.991 179.583 177.584 0.014 0.000 1.158 10 A CA 1.244 53.288 52.037 0.013 0.000 0.761 10 A CB -0.679 18.327 19.000 0.011 0.000 0.801 10 A HN 0.541 nan 8.150 nan 0.000 0.473 11 N N -1.029 117.681 118.700 0.017 0.000 2.368 11 N HA -0.087 4.653 4.740 0.001 0.000 0.178 11 N C 1.699 177.222 175.510 0.022 0.000 1.076 11 N CA 0.900 53.962 53.050 0.019 0.000 0.889 11 N CB -0.132 38.367 38.487 0.019 0.000 1.040 11 N HN 0.536 nan 8.380 nan 0.000 0.463 12 C N 0.681 119.996 119.300 0.025 0.000 2.440 12 C HA 0.031 4.492 4.460 0.001 0.000 0.278 12 C C 2.269 177.273 174.990 0.023 0.000 1.295 12 C CA 0.864 59.900 59.018 0.030 0.000 1.738 12 C CB -1.111 26.652 27.740 0.039 0.000 1.987 12 C HN 0.526 nan 8.230 nan 0.000 0.492 13 E N 1.659 121.869 120.200 0.017 0.000 2.160 13 E HA -0.177 4.174 4.350 0.001 0.000 0.195 13 E C 0.948 177.552 176.600 0.007 0.000 0.991 13 E CA 2.085 58.489 56.400 0.007 0.000 0.810 13 E CB -0.603 29.099 29.700 0.003 0.000 0.742 13 E HN 0.587 nan 8.360 nan 0.000 0.466 14 D N 0.458 120.868 120.400 0.016 0.000 2.368 14 D HA 0.044 4.684 4.640 0.001 0.000 0.218 14 D C -0.396 175.928 176.300 0.039 0.000 1.112 14 D CA -0.038 53.977 54.000 0.024 0.000 0.834 14 D CB -0.060 40.754 40.800 0.023 0.000 0.953 14 D HN 0.287 nan 8.370 nan 0.000 0.505 15 E N 1.817 122.038 120.200 0.035 0.000 2.465 15 E HA -0.003 4.347 4.350 0.001 0.000 0.260 15 E C -2.041 174.596 176.600 0.062 0.000 0.980 15 E CA -1.196 55.228 56.400 0.040 0.000 0.927 15 E CB 0.833 30.555 29.700 0.036 0.000 0.934 15 E HN -0.089 nan 8.360 nan 0.000 0.459 16 P HA 0.115 nan 4.420 nan 0.000 0.214 16 P C -0.142 177.118 177.300 -0.066 0.000 1.826 16 P CA -0.159 62.952 63.100 0.019 0.000 0.977 16 P CB -0.447 31.201 31.700 -0.088 0.000 1.930 17 I N -2.709 117.896 120.570 0.058 0.000 3.555 17 I HA -0.042 4.129 4.170 0.001 0.000 0.304 17 I C 1.443 177.601 176.117 0.068 0.000 1.246 17 I CA 0.652 61.977 61.300 0.041 0.000 1.220 17 I CB -1.563 36.467 38.000 0.050 0.000 1.001 17 I HN 0.232 nan 8.210 nan 0.000 0.513 18 H N 0.527 119.612 119.070 0.024 0.000 2.654 18 H HA 0.301 4.857 4.556 0.001 0.000 0.264 18 H C 1.300 176.655 175.328 0.045 0.000 0.954 18 H CA 1.208 57.271 56.048 0.025 0.000 1.199 18 H CB -0.173 29.605 29.762 0.027 0.000 1.446 18 H HN 0.410 nan 8.280 nan 0.000 0.516 19 V N -2.272 117.420 119.914 -0.371 0.000 3.432 19 V HA 0.347 4.468 4.120 0.001 0.000 0.298 19 V C -2.508 173.536 176.094 -0.082 0.000 1.464 19 V CA -1.156 61.029 62.300 -0.191 0.000 1.046 19 V CB 0.048 31.709 31.823 -0.269 0.000 0.887 19 V HN 0.002 nan 8.190 nan 0.000 0.441 20 P HA 0.235 nan 4.420 nan 0.000 0.263 20 P C 0.901 178.199 177.300 -0.003 0.000 1.195 20 P CA 1.050 64.134 63.100 -0.027 0.000 0.762 20 P CB 0.603 32.301 31.700 -0.004 0.000 0.799 21 G N 2.521 111.315 108.800 -0.011 0.000 3.197 21 G HA2 0.419 4.379 3.960 0.001 0.000 0.257 21 G HA3 0.419 4.379 3.960 0.001 0.000 0.257 21 G C 0.016 174.861 174.900 -0.091 0.000 0.835 21 G CA 0.170 45.257 45.100 -0.021 0.000 2.001 21 G HN 0.715 nan 8.290 nan 0.000 0.625 22 A N 0.681 123.479 122.820 -0.037 0.000 2.606 22 A HA 0.826 5.146 4.320 0.001 0.000 0.293 22 A C -0.489 177.114 177.584 0.032 0.000 1.082 22 A CA -0.820 51.199 52.037 -0.030 0.000 0.685 22 A CB 1.393 20.385 19.000 -0.013 0.000 1.284 22 A HN 0.823 nan 8.150 nan 0.000 0.408 23 I N -2.310 118.292 120.570 0.052 0.000 3.445 23 I HA 0.663 4.834 4.170 0.001 0.000 0.303 23 I C -0.658 175.565 176.117 0.177 0.000 1.129 23 I CA -1.094 60.254 61.300 0.079 0.000 0.989 23 I CB 1.654 39.667 38.000 0.021 0.000 1.314 23 I HN 0.655 nan 8.210 nan 0.000 0.488 24 Q N 1.159 121.045 119.800 0.144 0.000 2.235 24 Q HA 0.349 4.689 4.340 0.001 0.000 0.250 24 Q C -2.001 174.083 176.000 0.140 0.000 0.909 24 Q CA -1.503 54.453 55.803 0.255 0.000 0.910 24 Q CB 1.619 30.496 28.738 0.232 0.000 1.223 24 Q HN 0.425 nan 8.270 nan 0.000 0.432 25 P HA -0.179 nan 4.420 nan 0.000 0.221 25 P C 0.045 177.429 177.300 0.139 0.000 1.145 25 P CA 1.266 64.463 63.100 0.162 0.000 0.795 25 P CB -0.013 31.799 31.700 0.187 0.000 0.775 26 H N -2.351 116.785 119.070 0.109 0.000 2.572 26 H HA 0.441 4.998 4.556 0.001 0.000 0.278 26 H C 0.724 176.119 175.328 0.112 0.000 1.050 26 H CA -0.178 55.930 56.048 0.100 0.000 1.168 26 H CB -0.573 29.241 29.762 0.087 0.000 1.316 26 H HN 0.012 nan 8.280 nan 0.000 0.610 27 G N -1.146 107.566 108.800 -0.146 0.000 2.645 27 G HA2 0.670 4.630 3.960 0.001 0.000 0.292 27 G HA3 0.670 4.630 3.960 0.001 0.000 0.292 27 G C -1.794 173.074 174.900 -0.053 0.000 1.415 27 G CA -0.726 44.309 45.100 -0.108 0.000 0.785 27 G HN 0.553 nan 8.290 nan 0.000 0.483 28 A N -0.589 122.219 122.820 -0.020 0.000 2.427 28 A HA 0.755 5.076 4.320 0.001 0.000 0.298 28 A C -1.455 176.201 177.584 0.120 0.000 1.036 28 A CA -0.492 51.543 52.037 -0.003 0.000 0.701 28 A CB 1.889 20.809 19.000 -0.132 0.000 1.250 28 A HN 1.625 nan 8.150 nan 0.000 0.412 29 L N 2.404 123.675 121.223 0.080 0.000 2.330 29 L HA 0.916 5.256 4.340 0.001 0.000 0.271 29 L C -1.186 175.746 176.870 0.104 0.000 1.013 29 L CA -0.450 54.455 54.840 0.109 0.000 0.816 29 L CB 2.149 44.238 42.059 0.049 0.000 1.287 29 L HN 0.526 nan 8.230 nan 0.000 0.435 30 V N 2.208 122.198 119.914 0.127 0.000 2.697 30 V HA 0.454 4.575 4.120 0.001 0.000 0.300 30 V C -0.574 175.534 176.094 0.023 0.000 1.115 30 V CA -0.242 62.102 62.300 0.075 0.000 0.912 30 V CB 2.135 34.038 31.823 0.134 0.000 1.024 30 V HN 0.930 nan 8.190 nan 0.000 0.431 31 T N 3.491 117.996 114.554 -0.083 0.000 2.859 31 T HA 0.913 5.264 4.350 0.001 0.000 0.281 31 T C -0.902 173.694 174.700 -0.173 0.000 1.005 31 T CA -0.579 61.402 62.100 -0.198 0.000 1.025 31 T CB 1.700 70.289 68.868 -0.466 0.000 0.977 31 T HN 0.235 nan 8.240 nan 0.000 0.458 32 L N 1.748 122.878 121.223 -0.155 0.000 2.327 32 L HA 0.728 5.068 4.340 0.001 0.000 0.258 32 L C 0.373 177.188 176.870 -0.093 0.000 1.024 32 L CA -1.092 53.667 54.840 -0.134 0.000 0.825 32 L CB 2.086 44.048 42.059 -0.162 0.000 1.386 32 L HN 0.968 nan 8.230 nan 0.000 0.417 33 R N 0.364 120.798 120.500 -0.109 0.000 2.719 33 R HA 0.839 5.180 4.340 0.001 0.000 0.233 33 R C 0.847 177.058 176.300 -0.148 0.000 1.257 33 R CA -0.123 55.949 56.100 -0.047 0.000 1.109 33 R CB 0.389 30.677 30.300 -0.020 0.000 1.447 33 R HN 0.550 nan 8.270 nan 0.000 0.537 34 A N 0.319 123.103 122.820 -0.060 0.000 1.997 34 A HA -0.290 4.031 4.320 0.001 0.000 0.221 34 A C 1.256 178.714 177.584 -0.211 0.000 1.172 34 A CA 2.281 54.252 52.037 -0.109 0.000 0.645 34 A CB -1.147 17.846 19.000 -0.012 0.000 0.813 34 A HN 0.909 nan 8.150 nan 0.000 0.454 35 D N -4.042 116.280 120.400 -0.130 0.000 2.366 35 D HA 0.367 5.008 4.640 0.001 0.000 0.205 35 D C 1.127 177.414 176.300 -0.021 0.000 1.022 35 D CA 0.908 54.868 54.000 -0.067 0.000 0.868 35 D CB -0.068 40.755 40.800 0.038 0.000 0.953 35 D HN 0.777 nan 8.370 nan 0.000 0.514 36 G N 0.078 108.824 108.800 -0.090 0.000 2.159 36 G HA2 -0.236 3.724 3.960 0.001 0.000 0.170 36 G HA3 -0.236 3.724 3.960 0.001 0.000 0.170 36 G C -0.033 174.823 174.900 -0.074 0.000 1.007 36 G CA -0.051 45.002 45.100 -0.079 0.000 0.672 36 G HN 0.357 nan 8.290 nan 0.000 0.507 37 M N 1.783 121.202 119.600 -0.301 0.000 2.211 37 M HA 0.585 5.065 4.480 0.001 0.000 0.356 37 M C 0.447 176.509 176.300 -0.396 0.000 1.216 37 M CA -0.461 54.349 55.300 -0.817 0.000 1.134 37 M CB 1.149 33.266 32.600 -0.805 0.000 1.564 37 M HN -0.046 nan 8.290 nan 0.000 0.463 38 V N 6.947 126.648 119.914 -0.356 0.000 2.529 38 V HA -0.037 4.084 4.120 0.001 0.000 0.292 38 V C 0.977 176.992 176.094 -0.131 0.000 1.028 38 V CA 0.381 62.569 62.300 -0.186 0.000 1.074 38 V CB 0.714 32.456 31.823 -0.134 0.000 0.958 38 V HN 0.953 nan 8.190 nan 0.000 0.481 39 L N 3.812 124.990 121.223 -0.076 0.000 2.500 39 L HA 0.531 4.871 4.340 0.001 0.000 0.219 39 L C 0.792 177.708 176.870 0.077 0.000 1.057 39 L CA 0.817 55.670 54.840 0.022 0.000 0.854 39 L CB 0.553 42.674 42.059 0.104 0.000 1.078 39 L HN 0.800 nan 8.230 nan 0.000 0.480 40 A N -0.911 121.903 122.820 -0.011 0.000 2.564 40 A HA 0.834 5.154 4.320 0.001 0.000 0.291 40 A C -1.637 175.932 177.584 -0.025 0.000 1.102 40 A CA 0.171 52.221 52.037 0.022 0.000 0.660 40 A CB 1.249 20.288 19.000 0.066 0.000 1.283 40 A HN 0.047 nan 8.150 nan 0.000 0.430 41 A N -0.513 122.322 122.820 0.025 0.000 2.467 41 A HA 0.879 5.199 4.320 0.001 0.000 0.301 41 A C -0.055 177.554 177.584 0.041 0.000 1.126 41 A CA 0.296 52.345 52.037 0.020 0.000 0.632 41 A CB 0.085 19.101 19.000 0.028 0.000 1.331 41 A HN 2.342 nan 8.150 nan 0.000 0.482 42 S N -0.537 115.183 115.700 0.032 0.000 2.713 42 S HA 0.480 4.951 4.470 0.001 0.000 0.277 42 S C 0.430 175.089 174.600 0.098 0.000 1.168 42 S CA 0.201 58.424 58.200 0.039 0.000 0.994 42 S CB 0.844 64.052 63.200 0.015 0.000 1.054 42 S HN 0.908 nan 8.310 nan 0.000 0.555 43 E N -0.039 120.241 120.200 0.132 0.000 2.437 43 E HA 0.047 4.398 4.350 0.001 0.000 0.189 43 E C 0.247 176.897 176.600 0.083 0.000 1.054 43 E CA -0.160 56.330 56.400 0.150 0.000 0.874 43 E CB -0.488 29.346 29.700 0.223 0.000 1.011 43 E HN 0.674 nan 8.360 nan 0.000 0.474 44 N N 1.220 119.952 118.700 0.053 0.000 2.238 44 N HA 0.018 4.759 4.740 0.001 0.000 0.235 44 N C 0.944 176.453 175.510 -0.002 0.000 1.209 44 N CA -0.195 52.874 53.050 0.032 0.000 0.879 44 N CB -0.153 38.356 38.487 0.037 0.000 1.136 44 N HN 0.149 nan 8.380 nan 0.000 0.517 45 I N -1.130 119.432 120.570 -0.013 0.000 2.756 45 I HA -0.057 4.114 4.170 0.001 0.000 0.262 45 I C 2.155 178.244 176.117 -0.046 0.000 1.225 45 I CA 1.104 62.364 61.300 -0.066 0.000 1.472 45 I CB -0.629 37.335 38.000 -0.059 0.000 1.094 45 I HN 0.190 nan 8.210 nan 0.000 0.454 46 Q N 0.560 120.355 119.800 -0.008 0.000 2.352 46 Q HA 0.283 4.623 4.340 0.001 0.000 0.212 46 Q C 2.143 178.145 176.000 0.003 0.000 0.888 46 Q CA 0.610 56.408 55.803 -0.007 0.000 0.934 46 Q CB 0.195 28.928 28.738 -0.008 0.000 1.093 46 Q HN 0.558 nan 8.270 nan 0.000 0.523 47 A N 0.115 122.946 122.820 0.018 0.000 1.898 47 A HA -0.043 4.278 4.320 0.001 0.000 0.214 47 A C 1.617 179.251 177.584 0.084 0.000 1.183 47 A CA 0.812 52.876 52.037 0.045 0.000 0.622 47 A CB -0.112 18.915 19.000 0.045 0.000 0.824 47 A HN 0.344 nan 8.150 nan 0.000 0.444 48 L N -0.581 120.679 121.223 0.062 0.000 2.145 48 L HA 0.218 4.558 4.340 0.001 0.000 0.201 48 L C 1.176 178.140 176.870 0.156 0.000 1.075 48 L CA 0.977 55.897 54.840 0.133 0.000 0.773 48 L CB -0.625 41.420 42.059 -0.023 0.000 0.936 48 L HN 0.286 nan 8.230 nan 0.000 0.451 49 L N -2.429 118.780 121.223 -0.024 0.000 2.751 49 L HA 0.468 4.809 4.340 0.001 0.000 0.241 49 L C 1.532 178.422 176.870 0.034 0.000 1.146 49 L CA 0.019 54.854 54.840 -0.009 0.000 0.879 49 L CB -0.145 41.801 42.059 -0.188 0.000 1.687 49 L HN -0.015 nan 8.230 nan 0.000 0.527 50 G N -1.473 107.370 108.800 0.071 0.000 2.887 50 G HA2 0.257 4.218 3.960 0.001 0.000 0.211 50 G HA3 0.257 4.218 3.960 0.001 0.000 0.211 50 G C 0.072 174.707 174.900 -0.441 0.000 1.152 50 G CA 0.124 45.130 45.100 -0.156 0.000 0.769 50 G HN 0.265 nan 8.290 nan 0.000 0.541 51 F N -1.779 118.145 119.950 -0.045 0.000 2.876 51 F HA 0.706 5.233 4.527 0.001 0.000 0.358 51 F C -0.463 175.310 175.800 -0.044 0.000 1.209 51 F CA -1.236 56.742 58.000 -0.038 0.000 1.051 51 F CB 1.595 40.573 39.000 -0.037 0.000 1.474 51 F HN -0.279 nan 8.300 nan 0.000 0.521 52 V N 0.827 120.861 119.914 0.201 0.000 2.588 52 V HA 0.705 4.825 4.120 0.001 0.000 0.304 52 V C -0.654 175.481 176.094 0.070 0.000 1.042 52 V CA -1.021 61.335 62.300 0.093 0.000 0.877 52 V CB 1.572 33.435 31.823 0.066 0.000 0.996 52 V HN 0.815 nan 8.190 nan 0.000 0.425 53 A N 3.791 126.635 122.820 0.039 0.000 2.328 53 A HA 0.766 5.087 4.320 0.001 0.000 0.284 53 A C 0.234 177.832 177.584 0.024 0.000 1.160 53 A CA -0.185 51.863 52.037 0.019 0.000 0.818 53 A CB 0.389 19.395 19.000 0.009 0.000 1.087 53 A HN 1.122 nan 8.150 nan 0.000 0.504 54 S N 2.707 118.410 115.700 0.005 0.000 2.614 54 S HA 0.650 5.120 4.470 0.001 0.000 0.288 54 S C -3.109 171.479 174.600 -0.021 0.000 1.137 54 S CA -1.521 56.682 58.200 0.005 0.000 0.992 54 S CB 1.429 64.635 63.200 0.009 0.000 1.026 54 S HN 0.425 nan 8.310 nan 0.000 0.486 55 P HA 0.262 nan 4.420 nan 0.000 0.264 55 P C 1.315 178.578 177.300 -0.062 0.000 1.179 55 P CA 1.558 64.639 63.100 -0.032 0.000 0.763 55 P CB 0.133 31.839 31.700 0.009 0.000 0.806 56 G N 1.339 110.065 108.800 -0.123 0.000 2.363 56 G HA2 -0.285 3.676 3.960 0.001 0.000 0.238 56 G HA3 -0.285 3.676 3.960 0.001 0.000 0.238 56 G C 0.576 175.359 174.900 -0.194 0.000 1.062 56 G CA 0.321 45.339 45.100 -0.137 0.000 0.629 56 G HN 0.837 nan 8.290 nan 0.000 0.514 57 S N 0.552 116.165 115.700 -0.146 0.000 2.533 57 S HA 0.549 5.020 4.470 0.001 0.000 0.282 57 S C 0.062 174.532 174.600 -0.218 0.000 1.304 57 S CA -0.345 57.793 58.200 -0.103 0.000 1.063 57 S CB 0.193 63.360 63.200 -0.055 0.000 0.881 57 S HN 0.362 nan 8.310 nan 0.000 0.493 58 Y N 3.418 123.687 120.300 -0.051 0.000 2.334 58 Y HA 0.364 4.914 4.550 0.001 0.000 0.328 58 Y C 0.555 176.410 175.900 -0.074 0.000 1.130 58 Y CA -1.062 56.999 58.100 -0.065 0.000 1.163 58 Y CB 0.742 39.161 38.460 -0.068 0.000 1.207 58 Y HN 0.422 nan 8.280 nan 0.000 0.471 59 L N 3.553 124.820 121.223 0.073 0.000 2.660 59 L HA -0.023 4.317 4.340 0.001 0.000 0.272 59 L C 0.614 177.473 176.870 -0.019 0.000 1.194 59 L CA 0.556 55.397 54.840 0.002 0.000 0.945 59 L CB -0.821 41.242 42.059 0.006 0.000 1.212 59 L HN 0.728 nan 8.230 nan 0.000 0.490 60 T N 0.521 115.025 114.554 -0.084 0.000 2.794 60 T HA 0.081 4.432 4.350 0.001 0.000 0.296 60 T C 0.998 175.627 174.700 -0.118 0.000 0.949 60 T CA -0.665 61.363 62.100 -0.121 0.000 1.101 60 T CB 1.654 70.387 68.868 -0.225 0.000 0.905 60 T HN 0.550 nan 8.240 nan 0.000 0.516 61 Q N 1.127 120.883 119.800 -0.074 0.000 2.197 61 Q HA -0.207 4.133 4.340 0.001 0.000 0.207 61 Q C 1.569 177.537 176.000 -0.055 0.000 0.984 61 Q CA 1.742 57.518 55.803 -0.045 0.000 0.869 61 Q CB -0.073 28.649 28.738 -0.027 0.000 0.906 61 Q HN 0.851 nan 8.270 nan 0.000 0.426 62 E N 0.028 120.165 120.200 -0.105 0.000 2.482 62 E HA -0.083 4.268 4.350 0.001 0.000 0.196 62 E C 1.318 177.841 176.600 -0.129 0.000 1.047 62 E CA 0.522 56.869 56.400 -0.088 0.000 0.869 62 E CB 0.087 29.742 29.700 -0.075 0.000 0.836 62 E HN 0.405 nan 8.360 nan 0.000 0.520 63 Q N -1.062 118.583 119.800 -0.259 0.000 2.350 63 Q HA 0.122 4.463 4.340 0.001 0.000 0.225 63 Q C 0.837 176.833 176.000 -0.007 0.000 0.878 63 Q CA 0.333 56.026 55.803 -0.184 0.000 0.935 63 Q CB 0.752 29.200 28.738 -0.482 0.000 1.099 63 Q HN 0.176 nan 8.270 nan 0.000 0.527 64 V N -0.634 119.284 119.914 0.006 0.000 3.572 64 V HA 0.321 4.441 4.120 0.001 0.000 0.260 64 V C 0.475 176.643 176.094 0.124 0.000 1.324 64 V CA 0.682 63.042 62.300 0.099 0.000 1.068 64 V CB 1.090 32.975 31.823 0.105 0.000 0.837 64 V HN 0.499 nan 8.190 nan 0.000 0.450 65 G N 1.117 109.964 108.800 0.078 0.000 2.712 65 G HA2 -0.111 3.849 3.960 0.001 0.000 0.686 65 G HA3 -0.111 3.849 3.960 0.001 0.000 0.686 65 G C -2.074 172.863 174.900 0.061 0.000 1.321 65 G CA -0.217 44.929 45.100 0.076 0.000 0.813 65 G HN 0.178 nan 8.290 nan 0.000 0.599 66 P HA 0.037 nan 4.420 nan 0.000 0.215 66 P C 1.587 178.913 177.300 0.045 0.000 1.157 66 P CA 1.792 64.914 63.100 0.037 0.000 0.856 66 P CB 0.067 31.785 31.700 0.031 0.000 0.786 67 E N -0.136 120.097 120.200 0.054 0.000 2.058 67 E HA -0.138 4.213 4.350 0.001 0.000 0.194 67 E C 2.023 178.665 176.600 0.069 0.000 0.997 67 E CA 1.139 57.574 56.400 0.058 0.000 0.801 67 E CB -1.760 27.975 29.700 0.058 0.000 0.746 67 E HN 0.028 nan 8.360 nan 0.000 0.450 68 V N 0.922 120.883 119.914 0.079 0.000 2.261 68 V HA -0.249 3.872 4.120 0.001 0.000 0.246 68 V C 2.333 178.476 176.094 0.082 0.000 1.047 68 V CA 1.719 64.073 62.300 0.090 0.000 1.015 68 V CB -0.624 31.266 31.823 0.111 0.000 0.642 68 V HN 0.171 nan 8.190 nan 0.000 0.446 69 L N -0.396 120.864 121.223 0.060 0.000 2.042 69 L HA -0.188 4.152 4.340 0.001 0.000 0.210 69 L C 2.749 179.627 176.870 0.013 0.000 1.076 69 L CA 1.896 56.753 54.840 0.028 0.000 0.749 69 L CB -0.596 41.472 42.059 0.015 0.000 0.893 69 L HN 0.233 nan 8.230 nan 0.000 0.432 70 R N 0.038 120.555 120.500 0.028 0.000 2.081 70 R HA -0.225 4.116 4.340 0.001 0.000 0.235 70 R C 2.390 178.719 176.300 0.048 0.000 1.131 70 R CA 1.928 58.044 56.100 0.026 0.000 0.960 70 R CB -0.272 30.048 30.300 0.033 0.000 0.856 70 R HN 0.336 nan 8.270 nan 0.000 0.436 71 M N 0.596 120.251 119.600 0.091 0.000 2.159 71 M HA -0.181 4.300 4.480 0.001 0.000 0.263 71 M C 2.052 178.458 176.300 0.176 0.000 1.063 71 M CA 1.468 56.875 55.300 0.178 0.000 1.110 71 M CB -0.124 32.607 32.600 0.219 0.000 1.374 71 M HN 0.288 nan 8.290 nan 0.000 0.411 72 L N 1.042 122.301 121.223 0.060 0.000 2.079 72 L HA -0.194 4.146 4.340 0.001 0.000 0.210 72 L C 2.208 178.928 176.870 -0.251 0.000 1.081 72 L CA 2.291 57.044 54.840 -0.145 0.000 0.752 72 L CB -0.812 41.183 42.059 -0.105 0.000 0.896 72 L HN 0.414 nan 8.230 nan 0.000 0.433 73 E N 0.647 120.769 120.200 -0.130 0.000 2.031 73 E HA -0.286 4.064 4.350 0.001 0.000 0.193 73 E C 2.024 178.545 176.600 -0.131 0.000 0.994 73 E CA 2.027 58.346 56.400 -0.136 0.000 0.800 73 E CB -0.434 29.221 29.700 -0.075 0.000 0.752 73 E HN 0.764 nan 8.360 nan 0.000 0.447 74 E N -0.943 119.225 120.200 -0.053 0.000 2.338 74 E HA -0.067 4.283 4.350 0.001 0.000 0.197 74 E C 1.970 178.549 176.600 -0.036 0.000 1.007 74 E CA 0.920 57.319 56.400 -0.002 0.000 0.849 74 E CB -0.306 29.443 29.700 0.082 0.000 0.774 74 E HN 0.313 nan 8.360 nan 0.000 0.506 75 G N 1.480 110.131 108.800 -0.248 0.000 2.395 75 G HA2 -0.164 3.796 3.960 0.001 0.000 0.214 75 G HA3 -0.164 3.796 3.960 0.001 0.000 0.214 75 G C 1.465 176.042 174.900 -0.539 0.000 1.177 75 G CA 0.441 45.010 45.100 -0.885 0.000 0.794 75 G HN 0.101 nan 8.290 nan 0.000 0.532 76 L N 1.690 122.620 121.223 -0.488 0.000 1.990 76 L HA -0.119 4.222 4.340 0.001 0.000 0.213 76 L C 3.214 179.984 176.870 -0.167 0.000 1.072 76 L CA 2.424 57.001 54.840 -0.438 0.000 0.755 76 L CB -1.125 40.656 42.059 -0.463 0.000 0.889 76 L HN 0.407 nan 8.230 nan 0.000 0.432 77 T N -3.093 111.385 114.554 -0.128 0.000 3.072 77 T HA 0.120 4.470 4.350 0.001 0.000 0.266 77 T C 0.957 175.654 174.700 -0.005 0.000 1.127 77 T CA 0.459 62.524 62.100 -0.059 0.000 1.107 77 T CB -0.759 68.079 68.868 -0.051 0.000 0.910 77 T HN 0.324 nan 8.240 nan 0.000 0.513 78 G N 1.417 110.230 108.800 0.022 0.000 2.371 78 G HA2 0.455 4.416 3.960 0.001 0.000 0.326 78 G HA3 0.455 4.416 3.960 0.001 0.000 0.326 78 G C 0.422 175.376 174.900 0.090 0.000 1.127 78 G CA -0.830 44.311 45.100 0.068 0.000 0.885 78 G HN 0.279 nan 8.290 nan 0.000 0.477 79 N N 1.445 120.189 118.700 0.074 0.000 2.220 79 N HA 0.045 4.786 4.740 0.001 0.000 0.182 79 N C 1.473 177.022 175.510 0.066 0.000 1.023 79 N CA 0.499 53.587 53.050 0.064 0.000 0.856 79 N CB -0.650 37.861 38.487 0.040 0.000 0.997 79 N HN 0.643 nan 8.380 nan 0.000 0.429 80 G N 1.197 110.043 108.800 0.076 0.000 2.368 80 G HA2 0.189 4.150 3.960 0.001 0.000 0.233 80 G HA3 0.189 4.150 3.960 0.001 0.000 0.233 80 G C -2.190 172.771 174.900 0.102 0.000 1.267 80 G CA -0.626 44.520 45.100 0.078 0.000 0.873 80 G HN 0.164 nan 8.290 nan 0.000 0.539 81 P HA -0.054 nan 4.420 nan 0.000 0.255 81 P C -0.476 176.919 177.300 0.157 0.000 1.161 81 P CA 0.148 63.296 63.100 0.080 0.000 0.768 81 P CB 0.285 32.024 31.700 0.065 0.000 0.746 82 W N 4.318 125.585 121.300 -0.054 0.000 2.272 82 W HA 0.421 5.082 4.660 0.001 0.000 0.318 82 W C -0.125 176.428 176.519 0.056 0.000 1.255 82 W CA 0.364 57.702 57.345 -0.013 0.000 1.200 82 W CB 0.863 30.281 29.460 -0.069 0.000 1.170 82 W HN 0.220 nan 8.180 nan 0.000 0.549 83 S N 6.401 121.760 115.700 -0.569 0.000 2.706 83 S HA 0.406 4.877 4.470 0.001 0.000 0.270 83 S C -1.368 172.792 174.600 -0.733 0.000 1.163 83 S CA -0.722 57.169 58.200 -0.514 0.000 1.042 83 S CB -0.022 63.081 63.200 -0.162 0.000 1.079 83 S HN 0.687 nan 8.310 nan 0.000 0.474 84 N N 1.474 119.644 118.700 -0.884 0.000 2.823 84 N HA 0.561 5.301 4.740 0.001 0.000 0.251 84 N C -2.041 173.230 175.510 -0.398 0.000 1.392 84 N CA -0.390 52.296 53.050 -0.607 0.000 0.864 84 N CB 2.063 40.149 38.487 -0.667 0.000 1.481 84 N HN 0.687 nan 8.380 nan 0.000 0.508 85 S N 0.481 116.053 115.700 -0.214 0.000 2.562 85 S HA 0.521 4.991 4.470 0.001 0.000 0.274 85 S C -1.607 172.927 174.600 -0.111 0.000 1.160 85 S CA -0.580 57.497 58.200 -0.204 0.000 0.933 85 S CB 1.112 64.115 63.200 -0.329 0.000 1.100 85 S HN 0.220 nan 8.310 nan 0.000 0.468 86 V N 2.430 122.287 119.914 -0.095 0.000 2.769 86 V HA 0.567 4.687 4.120 0.001 0.000 0.312 86 V C -0.143 175.936 176.094 -0.026 0.000 1.061 86 V CA -0.731 61.552 62.300 -0.029 0.000 0.931 86 V CB 1.886 33.718 31.823 0.015 0.000 1.010 86 V HN 1.003 nan 8.190 nan 0.000 0.433 87 E N 1.678 121.887 120.200 0.015 0.000 2.046 87 E HA 0.463 4.814 4.350 0.001 0.000 0.279 87 E C -0.551 176.089 176.600 0.066 0.000 0.989 87 E CA 0.015 56.441 56.400 0.044 0.000 0.798 87 E CB 1.171 30.902 29.700 0.052 0.000 1.086 87 E HN 0.776 nan 8.360 nan 0.000 0.399 88 T N 2.808 117.424 114.554 0.102 0.000 2.883 88 T HA 0.436 4.786 4.350 0.001 0.000 0.284 88 T C -0.849 173.934 174.700 0.139 0.000 1.041 88 T CA -0.735 61.435 62.100 0.117 0.000 1.007 88 T CB 1.131 70.081 68.868 0.138 0.000 1.220 88 T HN 0.456 nan 8.240 nan 0.000 0.552 89 R N 1.471 122.044 120.500 0.123 0.000 2.604 89 R HA 0.728 5.068 4.340 0.001 0.000 0.287 89 R C -1.016 175.381 176.300 0.161 0.000 0.970 89 R CA -0.530 55.638 56.100 0.112 0.000 0.946 89 R CB 0.629 30.966 30.300 0.061 0.000 1.127 89 R HN 0.614 nan 8.270 nan 0.000 0.473 90 I N 1.869 122.542 120.570 0.171 0.000 2.934 90 I HA 0.268 4.438 4.170 0.001 0.000 0.306 90 I C 1.431 177.592 176.117 0.074 0.000 1.110 90 I CA -1.011 60.397 61.300 0.180 0.000 1.019 90 I CB 2.158 40.352 38.000 0.324 0.000 1.227 90 I HN 0.899 nan 8.210 nan 0.000 0.434 91 G N 1.763 110.590 108.800 0.046 0.000 2.574 91 G HA2 -0.205 3.756 3.960 0.001 0.000 0.220 91 G HA3 -0.205 3.756 3.960 0.001 0.000 0.220 91 G C 1.124 175.951 174.900 -0.122 0.000 1.173 91 G CA 1.030 46.115 45.100 -0.024 0.000 0.772 91 G HN 0.711 nan 8.290 nan 0.000 0.585 92 E N -0.208 119.847 120.200 -0.243 0.000 2.102 92 E HA 0.032 4.383 4.350 0.001 0.000 0.190 92 E C 0.135 176.272 176.600 -0.771 0.000 0.971 92 E CA 0.608 56.654 56.400 -0.591 0.000 0.821 92 E CB 0.117 29.293 29.700 -0.874 0.000 0.777 92 E HN 0.565 nan 8.360 nan 0.000 0.460 93 H N 0.865 119.854 119.070 -0.135 0.000 3.018 93 H HA 0.168 4.725 4.556 0.001 0.000 0.334 93 H C -0.003 174.964 175.328 -0.602 0.000 0.983 93 H CA -0.869 54.966 56.048 -0.355 0.000 1.363 93 H CB 1.416 30.911 29.762 -0.446 0.000 1.668 93 H HN -0.038 nan 8.280 nan 0.000 0.513 94 L N 0.735 121.785 121.223 -0.288 0.000 2.439 94 L HA 0.515 4.856 4.340 0.001 0.000 0.269 94 L C -0.981 175.705 176.870 -0.306 0.000 1.179 94 L CA 0.251 54.979 54.840 -0.188 0.000 0.828 94 L CB -0.612 41.422 42.059 -0.043 0.000 1.106 94 L HN 0.332 nan 8.230 nan 0.000 0.467 95 F N 0.356 120.388 119.950 0.137 0.000 2.639 95 F HA 0.441 4.968 4.527 0.001 0.000 0.339 95 F C 0.250 176.091 175.800 0.068 0.000 1.071 95 F CA -0.729 57.355 58.000 0.140 0.000 0.994 95 F CB 1.389 40.536 39.000 0.245 0.000 1.341 95 F HN 0.431 nan 8.300 nan 0.000 0.498 96 D N 1.525 122.087 120.400 0.271 0.000 2.443 96 D HA 0.257 4.897 4.640 0.001 0.000 0.221 96 D C -0.676 175.547 176.300 -0.128 0.000 1.097 96 D CA 0.069 54.076 54.000 0.012 0.000 0.865 96 D CB 1.500 42.268 40.800 -0.053 0.000 1.034 96 D HN 0.029 nan 8.370 nan 0.000 0.511 97 V N 5.110 124.913 119.914 -0.186 0.000 2.313 97 V HA 0.127 4.248 4.120 0.001 0.000 0.252 97 V C 0.718 176.575 176.094 -0.395 0.000 1.112 97 V CA -0.459 61.597 62.300 -0.407 0.000 0.984 97 V CB -0.575 31.064 31.823 -0.307 0.000 1.157 97 V HN 0.338 nan 8.190 nan 0.000 0.493 98 I N 1.906 122.219 120.570 -0.429 0.000 2.312 98 I HA 0.867 5.037 4.170 0.001 0.000 0.290 98 I C 0.466 176.470 176.117 -0.188 0.000 1.008 98 I CA -0.226 60.850 61.300 -0.374 0.000 1.226 98 I CB 1.303 39.022 38.000 -0.468 0.000 1.371 98 I HN 0.464 nan 8.210 nan 0.000 0.468 99 G N 4.866 113.567 108.800 -0.164 0.000 2.448 99 G HA2 0.721 4.682 3.960 0.001 0.000 0.324 99 G HA3 0.721 4.682 3.960 0.001 0.000 0.324 99 G C -1.236 173.622 174.900 -0.069 0.000 1.203 99 G CA -0.540 44.554 45.100 -0.010 0.000 0.954 99 G HN 1.024 nan 8.290 nan 0.000 0.480 100 H N -1.827 117.340 119.070 0.161 0.000 3.014 100 H HA 0.776 5.332 4.556 0.001 0.000 0.337 100 H C -1.398 174.088 175.328 0.263 0.000 1.320 100 H CA -0.863 55.275 56.048 0.150 0.000 1.128 100 H CB 1.661 31.494 29.762 0.119 0.000 1.862 100 H HN 0.582 nan 8.280 nan 0.000 0.536 101 S N 1.524 117.364 115.700 0.234 0.000 2.614 101 S HA 0.493 4.963 4.470 0.001 0.000 0.288 101 S C -2.072 172.632 174.600 0.173 0.000 1.137 101 S CA -0.597 57.546 58.200 -0.096 0.000 0.992 101 S CB 0.569 63.344 63.200 -0.709 0.000 1.026 101 S HN 0.600 nan 8.310 nan 0.000 0.486 102 Y N 4.741 125.108 120.300 0.111 0.000 2.499 102 Y HA 0.557 5.107 4.550 0.001 0.000 0.347 102 Y C 0.467 176.394 175.900 0.046 0.000 0.987 102 Y CA -0.288 57.827 58.100 0.026 0.000 1.044 102 Y CB 0.763 39.264 38.460 0.069 0.000 1.245 102 Y HN 0.899 nan 8.280 nan 0.000 0.461 103 K N 1.681 121.764 120.400 -0.528 0.000 1.844 103 K HA -0.306 4.014 4.320 0.001 0.000 0.160 103 K C 0.032 176.543 176.600 -0.149 0.000 1.448 103 K CA 1.849 57.950 56.287 -0.311 0.000 0.446 103 K CB -0.885 31.533 32.500 -0.135 0.000 0.635 103 K HN 0.949 nan 8.250 nan 0.000 0.848 104 E N 0.800 120.966 120.200 -0.057 0.000 2.548 104 E HA 0.209 4.559 4.350 0.001 0.000 0.206 104 E C -0.538 176.096 176.600 0.057 0.000 1.005 104 E CA -0.133 56.271 56.400 0.007 0.000 0.951 104 E CB 0.785 30.502 29.700 0.029 0.000 1.035 104 E HN 0.141 nan 8.360 nan 0.000 0.470 105 V N 2.017 121.915 119.914 -0.026 0.000 2.383 105 V HA 0.215 4.336 4.120 0.001 0.000 0.275 105 V C -0.324 175.500 176.094 -0.450 0.000 1.036 105 V CA -0.436 61.778 62.300 -0.145 0.000 0.889 105 V CB 0.218 31.969 31.823 -0.120 0.000 0.985 105 V HN 0.077 nan 8.190 nan 0.000 0.459 106 F N 4.752 124.403 119.950 -0.497 0.000 2.404 106 F HA 0.565 5.092 4.527 0.001 0.000 0.345 106 F C -0.087 175.339 175.800 -0.623 0.000 1.110 106 F CA -0.346 57.394 58.000 -0.434 0.000 1.130 106 F CB 0.864 39.708 39.000 -0.260 0.000 1.129 106 F HN 0.368 nan 8.300 nan 0.000 0.500 107 Y N 3.708 123.931 120.300 -0.129 0.000 2.393 107 Y HA 0.583 5.133 4.550 0.001 0.000 0.341 107 Y C -0.558 175.262 175.900 -0.133 0.000 0.988 107 Y CA -1.075 56.894 58.100 -0.218 0.000 1.078 107 Y CB 1.348 39.545 38.460 -0.437 0.000 1.203 107 Y HN 0.226 nan 8.280 nan 0.000 0.453 108 L N 3.059 124.338 121.223 0.093 0.000 2.365 108 L HA 0.520 4.860 4.340 0.001 0.000 0.273 108 L C -0.855 176.004 176.870 -0.019 0.000 1.000 108 L CA -0.788 54.059 54.840 0.012 0.000 0.819 108 L CB 2.120 44.190 42.059 0.019 0.000 1.284 108 L HN 0.782 nan 8.230 nan 0.000 0.418 109 E N 3.508 123.604 120.200 -0.175 0.000 2.244 109 E HA 0.390 4.740 4.350 0.001 0.000 0.260 109 E C -1.537 174.887 176.600 -0.293 0.000 0.884 109 E CA -0.414 55.920 56.400 -0.111 0.000 0.777 109 E CB 1.933 31.615 29.700 -0.030 0.000 1.197 109 E HN 0.201 nan 8.360 nan 0.000 0.416 110 F N 1.895 121.764 119.950 -0.134 0.000 2.404 110 F HA 0.282 4.810 4.527 0.001 0.000 0.354 110 F C 0.576 176.283 175.800 -0.156 0.000 1.122 110 F CA -0.591 57.275 58.000 -0.223 0.000 1.080 110 F CB 1.164 39.863 39.000 -0.503 0.000 1.131 110 F HN 0.356 nan 8.300 nan 0.000 0.471 111 E N 4.587 124.887 120.200 0.167 0.000 2.187 111 E HA 0.366 4.717 4.350 0.001 0.000 0.268 111 E C -0.343 176.587 176.600 0.550 0.000 0.896 111 E CA -1.057 55.501 56.400 0.263 0.000 0.766 111 E CB 1.301 31.105 29.700 0.174 0.000 1.142 111 E HN 0.581 nan 8.360 nan 0.000 0.408 112 I N 1.778 122.667 120.570 0.532 0.000 2.775 112 I HA 0.155 4.325 4.170 0.001 0.000 0.290 112 I C -0.262 175.954 176.117 0.164 0.000 1.203 112 I CA 0.041 61.568 61.300 0.378 0.000 1.433 112 I CB 0.279 38.414 38.000 0.225 0.000 1.354 112 I HN 0.513 nan 8.210 nan 0.000 0.579 113 R N 5.380 125.880 120.500 -0.001 0.000 2.233 113 R HA 0.395 4.735 4.340 0.001 0.000 0.334 113 R C -0.709 175.587 176.300 -0.006 0.000 1.037 113 R CA -0.351 55.759 56.100 0.018 0.000 0.920 113 R CB -0.176 30.123 30.300 -0.001 0.000 1.137 113 R HN 0.855 nan 8.270 nan 0.000 0.492 114 T N 2.110 116.677 114.554 0.021 0.000 2.907 114 T HA 0.353 4.704 4.350 0.001 0.000 0.298 114 T C 1.151 175.856 174.700 0.007 0.000 1.017 114 T CA -0.089 62.015 62.100 0.008 0.000 1.118 114 T CB 1.760 70.636 68.868 0.013 0.000 0.948 114 T HN 0.586 nan 8.240 nan 0.000 0.531 115 A N 1.868 124.690 122.820 0.002 0.000 2.063 115 A HA 0.150 4.471 4.320 0.001 0.000 0.211 115 A C 1.056 178.643 177.584 0.004 0.000 1.177 115 A CA -0.131 51.908 52.037 0.004 0.000 0.759 115 A CB -0.163 18.840 19.000 0.005 0.000 0.857 115 A HN 0.907 nan 8.150 nan 0.000 0.468 116 D N 1.249 121.649 120.400 0.001 0.000 2.390 116 D HA 0.299 4.939 4.640 0.001 0.000 0.249 116 D C -0.184 176.115 176.300 -0.002 0.000 1.144 116 D CA 0.948 54.947 54.000 -0.002 0.000 0.880 116 D CB 0.825 41.622 40.800 -0.005 0.000 1.182 116 D HN 0.221 nan 8.370 nan 0.000 0.451 117 T N 0.110 114.663 114.554 -0.003 0.000 2.923 117 T HA 0.428 4.779 4.350 0.001 0.000 0.311 117 T C 0.544 175.240 174.700 -0.007 0.000 1.183 117 T CA -0.908 61.189 62.100 -0.005 0.000 1.020 117 T CB 1.002 69.869 68.868 -0.001 0.000 1.165 117 T HN 0.347 nan 8.240 nan 0.000 0.482 118 L N 1.524 122.741 121.223 -0.010 0.000 2.653 118 L HA 0.330 4.670 4.340 0.001 0.000 0.230 118 L C 1.487 178.352 176.870 -0.010 0.000 1.055 118 L CA -0.191 54.643 54.840 -0.009 0.000 0.880 118 L CB 0.146 42.199 42.059 -0.010 0.000 1.195 118 L HN 0.841 nan 8.230 nan 0.000 0.492 119 S N 1.362 117.056 115.700 -0.010 0.000 2.528 119 S HA 0.335 4.805 4.470 0.001 0.000 0.277 119 S C 0.000 174.594 174.600 -0.010 0.000 1.297 119 S CA -0.546 57.648 58.200 -0.009 0.000 1.052 119 S CB 0.175 63.373 63.200 -0.004 0.000 0.917 119 S HN 0.142 nan 8.310 nan 0.000 0.492 120 I N 4.414 124.973 120.570 -0.018 0.000 2.671 120 I HA 0.043 4.214 4.170 0.001 0.000 0.285 120 I C 1.107 177.209 176.117 -0.025 0.000 1.148 120 I CA 0.150 61.436 61.300 -0.023 0.000 1.386 120 I CB 0.177 38.156 38.000 -0.035 0.000 1.406 120 I HN 0.805 nan 8.210 nan 0.000 0.540 121 T N 1.959 116.506 114.554 -0.011 0.000 3.316 121 T HA 0.376 4.726 4.350 0.001 0.000 0.341 121 T C -0.069 174.633 174.700 0.005 0.000 1.397 121 T CA -0.627 61.472 62.100 -0.001 0.000 1.085 121 T CB 0.267 69.146 68.868 0.019 0.000 1.160 121 T HN 0.504 nan 8.240 nan 0.000 0.694 122 S N 2.836 118.527 115.700 -0.015 0.000 2.614 122 S HA 0.428 4.899 4.470 0.001 0.000 0.275 122 S C 0.111 174.704 174.600 -0.013 0.000 1.161 122 S CA -0.886 57.316 58.200 0.002 0.000 0.969 122 S CB 0.818 64.005 63.200 -0.021 0.000 1.059 122 S HN 0.552 nan 8.310 nan 0.000 0.482 123 F N 4.501 124.391 119.950 -0.101 0.000 2.084 123 F HA 0.054 4.582 4.527 0.001 0.000 0.296 123 F C 2.459 178.187 175.800 -0.119 0.000 1.111 123 F CA 2.441 60.360 58.000 -0.136 0.000 1.224 123 F CB -0.809 38.119 39.000 -0.120 0.000 0.991 123 F HN 0.651 nan 8.300 nan 0.000 0.471 124 T N 0.307 114.671 114.554 -0.315 0.000 2.759 124 T HA -0.173 4.178 4.350 0.001 0.000 0.269 124 T C 1.824 176.324 174.700 -0.333 0.000 1.042 124 T CA 1.752 63.604 62.100 -0.413 0.000 1.140 124 T CB -0.526 68.292 68.868 -0.083 0.000 0.864 124 T HN 0.245 nan 8.240 nan 0.000 0.455 125 L N 1.573 122.664 121.223 -0.220 0.000 2.145 125 L HA 0.333 4.673 4.340 0.001 0.000 0.201 125 L C 2.124 178.867 176.870 -0.212 0.000 1.075 125 L CA 1.585 56.320 54.840 -0.174 0.000 0.773 125 L CB -1.541 40.454 42.059 -0.107 0.000 0.936 125 L HN 0.183 nan 8.230 nan 0.000 0.451 126 N N 0.252 118.812 118.700 -0.233 0.000 2.430 126 N HA -0.098 4.642 4.740 0.001 0.000 0.186 126 N C 1.505 176.800 175.510 -0.359 0.000 1.032 126 N CA 1.145 54.034 53.050 -0.268 0.000 0.893 126 N CB 0.115 38.439 38.487 -0.272 0.000 0.957 126 N HN 0.514 nan 8.380 nan 0.000 0.442 127 A N -0.274 122.302 122.820 -0.407 0.000 2.132 127 A HA 0.054 4.375 4.320 0.001 0.000 0.213 127 A C 1.946 179.380 177.584 -0.249 0.000 1.154 127 A CA 0.305 52.110 52.037 -0.387 0.000 0.753 127 A CB -0.083 18.599 19.000 -0.529 0.000 0.826 127 A HN 0.336 nan 8.150 nan 0.000 0.469 128 Q N -0.705 118.959 119.800 -0.227 0.000 2.311 128 Q HA -0.037 4.303 4.340 0.001 0.000 0.203 128 Q C 2.154 178.087 176.000 -0.112 0.000 0.954 128 Q CA 0.878 56.594 55.803 -0.145 0.000 0.885 128 Q CB -0.037 28.622 28.738 -0.132 0.000 0.963 128 Q HN 0.664 nan 8.270 nan 0.000 0.471 129 R N 1.082 121.498 120.500 -0.139 0.000 2.057 129 R HA -0.117 4.223 4.340 0.001 0.000 0.229 129 R C 2.363 178.594 176.300 -0.115 0.000 1.136 129 R CA 1.360 57.391 56.100 -0.115 0.000 0.952 129 R CB -0.090 30.137 30.300 -0.122 0.000 0.848 129 R HN 0.285 nan 8.270 nan 0.000 0.430 130 I N -0.725 119.736 120.570 -0.182 0.000 2.233 130 I HA -0.175 3.996 4.170 0.001 0.000 0.243 130 I C 2.042 178.138 176.117 -0.035 0.000 1.093 130 I CA 1.517 62.661 61.300 -0.261 0.000 1.380 130 I CB -1.318 36.240 38.000 -0.737 0.000 1.067 130 I HN 0.165 nan 8.210 nan 0.000 0.413 131 I N 2.032 122.638 120.570 0.060 0.000 2.623 131 I HA -0.214 3.957 4.170 0.001 0.000 0.261 131 I C 2.529 178.702 176.117 0.093 0.000 1.204 131 I CA 1.272 62.672 61.300 0.168 0.000 1.444 131 I CB -0.432 37.627 38.000 0.098 0.000 1.094 131 I HN 0.306 nan 8.210 nan 0.000 0.451 132 A N -0.554 122.292 122.820 0.044 0.000 2.275 132 A HA -0.001 4.319 4.320 0.001 0.000 0.212 132 A C 2.143 179.774 177.584 0.079 0.000 1.201 132 A CA 0.169 52.230 52.037 0.040 0.000 0.843 132 A CB -0.036 18.967 19.000 0.006 0.000 0.873 132 A HN 0.283 nan 8.150 nan 0.000 0.492 133 Q N -0.456 119.404 119.800 0.098 0.000 2.137 133 Q HA -0.047 4.293 4.340 0.001 0.000 0.198 133 Q C 2.182 178.318 176.000 0.226 0.000 0.960 133 Q CA 1.176 57.074 55.803 0.157 0.000 0.847 133 Q CB -0.351 28.408 28.738 0.035 0.000 0.915 133 Q HN 0.447 nan 8.270 nan 0.000 0.448 134 V N 1.655 121.678 119.914 0.181 0.000 2.255 134 V HA -0.309 3.811 4.120 0.001 0.000 0.247 134 V C 2.315 178.483 176.094 0.123 0.000 1.051 134 V CA 1.922 64.309 62.300 0.144 0.000 1.018 134 V CB -0.462 31.423 31.823 0.102 0.000 0.641 134 V HN 0.437 nan 8.190 nan 0.000 0.445 135 Q N -0.815 119.040 119.800 0.091 0.000 2.197 135 Q HA -0.219 4.121 4.340 0.001 0.000 0.207 135 Q C 2.190 178.211 176.000 0.036 0.000 0.984 135 Q CA 1.590 57.422 55.803 0.048 0.000 0.869 135 Q CB -0.228 28.525 28.738 0.025 0.000 0.906 135 Q HN 0.562 nan 8.270 nan 0.000 0.426 136 L N -0.816 120.443 121.223 0.061 0.000 2.049 136 L HA -0.083 4.257 4.340 0.001 0.000 0.203 136 L C 0.630 177.405 176.870 -0.159 0.000 1.074 136 L CA 0.676 55.448 54.840 -0.113 0.000 0.749 136 L CB -0.136 41.720 42.059 -0.338 0.000 0.907 136 L HN 0.218 nan 8.230 nan 0.000 0.439 137 H N -1.697 117.380 119.070 0.011 0.000 2.495 137 H HA 0.218 4.775 4.556 0.001 0.000 0.350 137 H C 0.119 175.453 175.328 0.010 0.000 1.202 137 H CA -0.202 55.855 56.048 0.014 0.000 1.322 137 H CB 0.638 30.415 29.762 0.024 0.000 1.544 137 H HN -0.015 nan 8.280 nan 0.000 0.565 138 N N -0.756 118.024 118.700 0.133 0.000 2.419 138 N HA 0.020 4.760 4.740 0.001 0.000 0.216 138 N C -0.787 174.763 175.510 0.066 0.000 1.118 138 N CA -0.123 52.968 53.050 0.069 0.000 0.850 138 N CB 0.787 39.296 38.487 0.036 0.000 1.292 138 N HN 0.520 nan 8.380 nan 0.000 0.467 139 D N 0.141 120.590 120.400 0.082 0.000 2.345 139 D HA 0.035 4.675 4.640 0.001 0.000 0.247 139 D C 1.146 177.493 176.300 0.077 0.000 1.108 139 D CA 0.218 54.262 54.000 0.073 0.000 0.894 139 D CB 1.247 42.091 40.800 0.074 0.000 1.203 139 D HN 0.165 nan 8.370 nan 0.000 0.430 140 T N -1.071 113.530 114.554 0.078 0.000 3.035 140 T HA -0.050 4.301 4.350 0.001 0.000 0.268 140 T C 1.667 176.445 174.700 0.129 0.000 1.109 140 T CA 0.585 62.741 62.100 0.094 0.000 1.119 140 T CB -0.030 68.915 68.868 0.127 0.000 0.900 140 T HN 0.355 nan 8.240 nan 0.000 0.503 141 A N 0.981 123.865 122.820 0.107 0.000 1.975 141 A HA 0.200 4.520 4.320 0.001 0.000 0.215 141 A C 2.588 180.214 177.584 0.070 0.000 1.170 141 A CA 1.251 53.342 52.037 0.090 0.000 0.656 141 A CB -0.757 18.284 19.000 0.069 0.000 0.821 141 A HN 0.460 nan 8.150 nan 0.000 0.449 142 S N -0.670 115.071 115.700 0.068 0.000 2.371 142 S HA -0.049 4.421 4.470 0.001 0.000 0.221 142 S C 1.901 176.478 174.600 -0.038 0.000 1.036 142 S CA 1.078 59.309 58.200 0.053 0.000 0.965 142 S CB -0.381 62.890 63.200 0.119 0.000 0.845 142 S HN 0.499 nan 8.310 nan 0.000 0.475 143 L N 2.345 123.556 121.223 -0.020 0.000 1.990 143 L HA -0.067 4.273 4.340 0.001 0.000 0.213 143 L C 1.985 178.851 176.870 -0.008 0.000 1.072 143 L CA 1.862 56.648 54.840 -0.091 0.000 0.755 143 L CB -1.069 41.001 42.059 0.017 0.000 0.889 143 L HN 0.357 nan 8.230 nan 0.000 0.432 144 L N -0.949 120.338 121.223 0.108 0.000 2.012 144 L HA -0.250 4.091 4.340 0.001 0.000 0.210 144 L C 2.737 179.689 176.870 0.137 0.000 1.073 144 L CA 1.722 56.694 54.840 0.219 0.000 0.748 144 L CB -0.869 41.309 42.059 0.197 0.000 0.891 144 L HN 0.438 nan 8.230 nan 0.000 0.431 145 S N -0.185 115.547 115.700 0.054 0.000 2.387 145 S HA -0.185 4.285 4.470 0.001 0.000 0.230 145 S C 1.733 176.316 174.600 -0.028 0.000 1.035 145 S CA 1.837 60.048 58.200 0.019 0.000 1.014 145 S CB -0.137 63.072 63.200 0.014 0.000 0.836 145 S HN 0.452 nan 8.310 nan 0.000 0.466 146 N N 0.504 119.144 118.700 -0.100 0.000 2.439 146 N HA 0.043 4.784 4.740 0.001 0.000 0.176 146 N C 1.698 177.105 175.510 -0.171 0.000 1.029 146 N CA 1.378 54.332 53.050 -0.159 0.000 0.886 146 N CB -0.481 37.812 38.487 -0.322 0.000 1.057 146 N HN 0.451 nan 8.380 nan 0.000 0.437 147 V N -1.270 118.532 119.914 -0.186 0.000 3.241 147 V HA -0.047 4.073 4.120 0.001 0.000 0.269 147 V C 1.793 177.646 176.094 -0.401 0.000 1.151 147 V CA 1.334 63.460 62.300 -0.290 0.000 1.158 147 V CB -1.286 30.380 31.823 -0.261 0.000 0.764 147 V HN 0.093 nan 8.190 nan 0.000 0.508 148 T N 0.715 115.136 114.554 -0.221 0.000 2.735 148 T HA -0.076 4.275 4.350 0.001 0.000 0.256 148 T C 1.579 176.196 174.700 -0.138 0.000 1.042 148 T CA 1.600 63.603 62.100 -0.161 0.000 1.147 148 T CB -0.417 68.441 68.868 -0.017 0.000 0.865 148 T HN 0.483 nan 8.240 nan 0.000 0.421 149 D N 0.887 121.231 120.400 -0.094 0.000 2.221 149 D HA -0.093 4.547 4.640 0.001 0.000 0.204 149 D C 2.007 178.257 176.300 -0.084 0.000 0.982 149 D CA 0.964 54.923 54.000 -0.069 0.000 0.857 149 D CB -0.169 40.604 40.800 -0.045 0.000 0.934 149 D HN 0.406 nan 8.370 nan 0.000 0.475 150 E N -0.322 119.801 120.200 -0.127 0.000 2.400 150 E HA 0.076 4.426 4.350 0.001 0.000 0.195 150 E C 1.928 178.438 176.600 -0.151 0.000 1.012 150 E CA 0.091 56.414 56.400 -0.128 0.000 0.875 150 E CB 0.034 29.646 29.700 -0.146 0.000 0.859 150 E HN 0.195 nan 8.360 nan 0.000 0.498 151 L N -0.164 120.932 121.223 -0.212 0.000 2.131 151 L HA 0.040 4.381 4.340 0.001 0.000 0.206 151 L C 2.653 179.466 176.870 -0.095 0.000 1.087 151 L CA 0.927 55.631 54.840 -0.227 0.000 0.767 151 L CB -0.322 41.496 42.059 -0.401 0.000 0.917 151 L HN 0.145 nan 8.230 nan 0.000 0.441 152 R N 0.441 120.902 120.500 -0.065 0.000 2.073 152 R HA -0.134 4.207 4.340 0.001 0.000 0.234 152 R C 2.414 178.726 176.300 0.020 0.000 1.134 152 R CA 1.279 57.386 56.100 0.012 0.000 0.952 152 R CB -0.035 30.269 30.300 0.006 0.000 0.850 152 R HN 0.227 nan 8.270 nan 0.000 0.433 153 R N -0.365 120.129 120.500 -0.010 0.000 2.200 153 R HA -0.122 4.219 4.340 0.001 0.000 0.234 153 R C 2.095 178.397 176.300 0.002 0.000 1.127 153 R CA 1.554 57.649 56.100 -0.007 0.000 0.989 153 R CB -0.068 30.219 30.300 -0.022 0.000 0.869 153 R HN 0.359 nan 8.270 nan 0.000 0.459 154 M N -1.213 118.393 119.600 0.011 0.000 2.384 154 M HA -0.041 4.439 4.480 0.001 0.000 0.258 154 M C 2.332 178.676 176.300 0.074 0.000 1.130 154 M CA 1.630 56.951 55.300 0.035 0.000 1.187 154 M CB -0.057 32.575 32.600 0.054 0.000 1.307 154 M HN 0.114 nan 8.290 nan 0.000 0.468 155 T N -2.759 111.870 114.554 0.125 0.000 3.035 155 T HA 0.239 4.589 4.350 0.001 0.000 0.259 155 T C 1.537 176.300 174.700 0.104 0.000 1.078 155 T CA 0.843 63.048 62.100 0.175 0.000 1.132 155 T CB -0.110 68.979 68.868 0.368 0.000 0.900 155 T HN 0.623 nan 8.240 nan 0.000 0.480 156 G N 0.404 109.271 108.800 0.111 0.000 2.143 156 G HA2 -0.258 3.702 3.960 0.001 0.000 0.249 156 G HA3 -0.258 3.702 3.960 0.001 0.000 0.249 156 G C -0.072 174.914 174.900 0.143 0.000 0.981 156 G CA -0.054 45.096 45.100 0.084 0.000 0.665 156 G HN 0.632 nan 8.290 nan 0.000 0.528 157 Y N 1.436 121.802 120.300 0.111 0.000 2.712 157 Y HA 0.107 4.657 4.550 0.001 0.000 0.333 157 Y C 1.941 177.904 175.900 0.104 0.000 1.225 157 Y CA 0.718 58.947 58.100 0.216 0.000 1.499 157 Y CB 0.511 39.032 38.460 0.102 0.000 1.288 157 Y HN 0.165 nan 8.280 nan 0.000 0.575 158 D N 1.533 122.004 120.400 0.118 0.000 2.133 158 D HA -0.193 4.448 4.640 0.001 0.000 0.195 158 D C 0.745 177.077 176.300 0.053 0.000 0.997 158 D CA 1.636 55.596 54.000 -0.066 0.000 0.840 158 D CB 0.151 40.792 40.800 -0.264 0.000 0.947 158 D HN 0.429 nan 8.370 nan 0.000 0.452 159 R N -0.168 120.418 120.500 0.143 0.000 2.548 159 R HA 0.416 4.756 4.340 0.001 0.000 0.280 159 R C -2.007 174.337 176.300 0.073 0.000 1.061 159 R CA -0.500 55.668 56.100 0.114 0.000 0.915 159 R CB 2.266 32.656 30.300 0.150 0.000 1.210 159 R HN -0.088 nan 8.270 nan 0.000 0.442 160 V N 6.249 126.161 119.914 -0.003 0.000 2.443 160 V HA 0.517 4.638 4.120 0.001 0.000 0.293 160 V C -0.851 175.178 176.094 -0.108 0.000 1.021 160 V CA -0.574 61.660 62.300 -0.111 0.000 0.848 160 V CB 1.684 33.420 31.823 -0.145 0.000 0.998 160 V HN 0.858 nan 8.190 nan 0.000 0.424 161 M N 5.509 124.991 119.600 -0.196 0.000 2.644 161 M HA 0.817 5.297 4.480 0.001 0.000 0.316 161 M C -0.205 175.871 176.300 -0.374 0.000 1.200 161 M CA -0.636 54.520 55.300 -0.239 0.000 0.944 161 M CB 2.224 34.679 32.600 -0.241 0.000 1.691 161 M HN 0.742 nan 8.290 nan 0.000 0.471 162 A N 2.440 125.073 122.820 -0.311 0.000 2.310 162 A HA 0.671 4.992 4.320 0.001 0.000 0.304 162 A C -1.707 175.632 177.584 -0.408 0.000 1.231 162 A CA -0.513 51.304 52.037 -0.366 0.000 0.799 162 A CB 0.267 19.247 19.000 -0.034 0.000 1.162 162 A HN 0.791 nan 8.150 nan 0.000 0.486 163 Y N 1.355 121.466 120.300 -0.314 0.000 2.334 163 Y HA 0.579 5.130 4.550 0.001 0.000 0.328 163 Y C 0.906 176.441 175.900 -0.608 0.000 1.130 163 Y CA -0.770 57.068 58.100 -0.436 0.000 1.163 163 Y CB 1.303 39.442 38.460 -0.535 0.000 1.207 163 Y HN 0.547 nan 8.280 nan 0.000 0.471 164 R N 2.484 122.699 120.500 -0.474 0.000 2.460 164 R HA 0.389 4.730 4.340 0.001 0.000 0.303 164 R C -1.645 174.223 176.300 -0.718 0.000 0.968 164 R CA -0.787 54.901 56.100 -0.686 0.000 0.889 164 R CB 1.225 31.155 30.300 -0.616 0.000 1.123 164 R HN 0.603 nan 8.270 nan 0.000 0.455 165 F N 3.217 122.895 119.950 -0.453 0.000 2.385 165 F HA 0.350 4.877 4.527 0.001 0.000 0.360 165 F C 1.161 176.762 175.800 -0.330 0.000 1.122 165 F CA -0.762 57.035 58.000 -0.337 0.000 1.090 165 F CB 0.816 39.672 39.000 -0.239 0.000 1.150 165 F HN 0.172 nan 8.300 nan 0.000 0.472 166 R N 0.913 121.377 120.500 -0.060 0.000 2.783 166 R HA 0.018 4.358 4.340 0.001 0.000 0.276 166 R C 1.312 177.620 176.300 0.013 0.000 1.223 166 R CA -0.284 55.788 56.100 -0.046 0.000 1.173 166 R CB -0.039 30.251 30.300 -0.016 0.000 1.157 166 R HN 0.708 nan 8.270 nan 0.000 0.600 167 H N 1.210 120.251 119.070 -0.048 0.000 2.353 167 H HA -0.140 4.416 4.556 0.001 0.000 0.298 167 H C 0.936 176.243 175.328 -0.035 0.000 1.103 167 H CA 2.468 58.497 56.048 -0.032 0.000 1.293 167 H CB 0.028 29.778 29.762 -0.020 0.000 1.372 167 H HN 0.585 nan 8.280 nan 0.000 0.501 168 D N -0.826 119.554 120.400 -0.034 0.000 2.349 168 D HA -0.063 4.577 4.640 0.001 0.000 0.224 168 D C -0.085 176.144 176.300 -0.118 0.000 1.029 168 D CA 0.743 54.682 54.000 -0.102 0.000 0.879 168 D CB -0.204 40.558 40.800 -0.063 0.000 0.906 168 D HN 0.371 nan 8.370 nan 0.000 0.528 169 D N -0.022 120.314 120.400 -0.108 0.000 2.907 169 D HA -0.148 4.493 4.640 0.001 0.000 0.226 169 D C -0.659 175.589 176.300 -0.086 0.000 1.141 169 D CA 1.055 54.970 54.000 -0.141 0.000 0.779 169 D CB -1.889 38.770 40.800 -0.235 0.000 1.095 169 D HN 0.472 nan 8.370 nan 0.000 0.430 170 S N -0.716 114.970 115.700 -0.023 0.000 2.505 170 S HA 0.615 5.085 4.470 0.001 0.000 0.280 170 S C 0.886 175.369 174.600 -0.196 0.000 1.197 170 S CA -0.091 58.066 58.200 -0.071 0.000 1.138 170 S CB 1.461 64.739 63.200 0.130 0.000 1.010 170 S HN 0.324 nan 8.310 nan 0.000 0.480 171 G N 1.362 109.956 108.800 -0.343 0.000 2.744 171 G HA2 0.371 4.332 3.960 0.001 0.000 0.257 171 G HA3 0.371 4.332 3.960 0.001 0.000 0.257 171 G C -0.409 174.130 174.900 -0.602 0.000 1.244 171 G CA -0.419 44.322 45.100 -0.597 0.000 0.916 171 G HN 0.810 nan 8.290 nan 0.000 0.564 172 E N -1.761 118.189 120.200 -0.417 0.000 2.331 172 E HA 0.366 4.717 4.350 0.001 0.000 0.275 172 E C -1.325 175.238 176.600 -0.061 0.000 0.895 172 E CA -0.762 55.498 56.400 -0.234 0.000 0.753 172 E CB 2.322 31.892 29.700 -0.217 0.000 1.216 172 E HN 0.206 nan 8.360 nan 0.000 0.434 173 V N 5.160 125.106 119.914 0.053 0.000 2.338 173 V HA 0.049 4.169 4.120 0.001 0.000 0.255 173 V C 1.144 177.263 176.094 0.043 0.000 1.082 173 V CA 0.057 62.442 62.300 0.141 0.000 0.951 173 V CB 0.473 32.418 31.823 0.204 0.000 1.102 173 V HN 0.629 nan 8.190 nan 0.000 0.489 174 V N 2.013 121.926 119.914 -0.001 0.000 3.471 174 V HA 0.626 4.746 4.120 0.001 0.000 0.258 174 V C 0.774 176.872 176.094 0.007 0.000 1.192 174 V CA 0.714 63.006 62.300 -0.012 0.000 1.116 174 V CB 0.085 31.883 31.823 -0.042 0.000 0.792 174 V HN 0.727 nan 8.190 nan 0.000 0.459 175 A N 0.127 122.951 122.820 0.005 0.000 2.455 175 A HA 0.828 5.149 4.320 0.001 0.000 0.300 175 A C -0.763 176.826 177.584 0.008 0.000 1.040 175 A CA -0.394 51.652 52.037 0.016 0.000 0.697 175 A CB 1.915 20.938 19.000 0.040 0.000 1.265 175 A HN 0.460 nan 8.150 nan 0.000 0.407 176 E N 0.648 120.856 120.200 0.014 0.000 2.375 176 E HA 0.577 4.927 4.350 0.001 0.000 0.280 176 E C -1.479 175.125 176.600 0.006 0.000 0.972 176 E CA -0.266 56.142 56.400 0.014 0.000 0.782 176 E CB 1.843 31.569 29.700 0.042 0.000 1.229 176 E HN 1.087 nan 8.360 nan 0.000 0.439 177 S N 3.790 119.491 115.700 0.001 0.000 2.736 177 S HA 0.663 5.133 4.470 0.001 0.000 0.285 177 S C -0.889 173.714 174.600 0.003 0.000 1.163 177 S CA -0.856 57.342 58.200 -0.003 0.000 1.025 177 S CB 0.793 63.985 63.200 -0.014 0.000 1.030 177 S HN 0.624 nan 8.310 nan 0.000 0.486 178 R N 2.086 122.586 120.500 -0.001 0.000 2.939 178 R HA 0.631 4.972 4.340 0.001 0.000 0.254 178 R C -0.379 175.914 176.300 -0.012 0.000 1.123 178 R CA -1.295 54.804 56.100 -0.002 0.000 1.020 178 R CB 0.927 31.217 30.300 -0.016 0.000 1.206 178 R HN 0.626 nan 8.270 nan 0.000 0.491 179 R N 1.065 121.554 120.500 -0.018 0.000 2.265 179 R HA 0.044 4.384 4.340 0.001 0.000 0.314 179 R C -0.173 176.107 176.300 -0.034 0.000 1.053 179 R CA -0.007 56.077 56.100 -0.027 0.000 0.931 179 R CB 0.796 31.074 30.300 -0.037 0.000 1.024 179 R HN 0.865 nan 8.270 nan 0.000 0.457 180 E N 1.997 122.179 120.200 -0.031 0.000 2.393 180 E HA -0.240 4.110 4.350 0.001 0.000 0.201 180 E C 0.714 177.290 176.600 -0.041 0.000 1.025 180 E CA 1.565 57.945 56.400 -0.035 0.000 0.856 180 E CB 0.090 29.773 29.700 -0.028 0.000 0.771 180 E HN 0.695 nan 8.360 nan 0.000 0.526 181 D N -0.406 119.970 120.400 -0.041 0.000 2.347 181 D HA -0.057 4.584 4.640 0.001 0.000 0.215 181 D C 0.208 176.476 176.300 -0.054 0.000 0.976 181 D CA 0.410 54.385 54.000 -0.043 0.000 0.884 181 D CB 0.270 41.047 40.800 -0.039 0.000 0.915 181 D HN 0.019 nan 8.370 nan 0.000 0.526 182 L N 0.852 122.036 121.223 -0.065 0.000 2.334 182 L HA 0.381 4.721 4.340 0.001 0.000 0.270 182 L C 0.433 177.221 176.870 -0.137 0.000 1.018 182 L CA -1.240 53.545 54.840 -0.091 0.000 0.811 182 L CB 1.631 43.643 42.059 -0.078 0.000 1.271 182 L HN 0.095 nan 8.230 nan 0.000 0.443 183 E N -0.024 120.048 120.200 -0.214 0.000 2.373 183 E HA 0.226 4.577 4.350 0.001 0.000 0.263 183 E C -0.742 175.609 176.600 -0.415 0.000 1.073 183 E CA -0.619 55.607 56.400 -0.290 0.000 0.894 183 E CB 1.323 30.825 29.700 -0.330 0.000 1.008 183 E HN 0.328 nan 8.360 nan 0.000 0.420 184 S N 1.249 116.766 115.700 -0.306 0.000 2.438 184 S HA 0.170 4.641 4.470 0.001 0.000 0.293 184 S C -0.813 173.668 174.600 -0.197 0.000 1.141 184 S CA -0.626 57.444 58.200 -0.217 0.000 1.080 184 S CB 0.058 63.201 63.200 -0.095 0.000 0.978 184 S HN 0.493 nan 8.310 nan 0.000 0.479 185 Y N 4.126 124.441 120.300 0.025 0.000 2.645 185 Y HA 0.364 4.915 4.550 0.001 0.000 0.307 185 Y C 0.564 176.488 175.900 0.039 0.000 1.151 185 Y CA -0.528 57.593 58.100 0.035 0.000 1.291 185 Y CB -0.171 38.325 38.460 0.060 0.000 1.135 185 Y HN 0.475 nan 8.280 nan 0.000 0.523 186 L N 0.061 121.365 121.223 0.133 0.000 2.453 186 L HA 0.216 4.557 4.340 0.001 0.000 0.272 186 L C 1.328 178.243 176.870 0.076 0.000 1.182 186 L CA 0.677 55.571 54.840 0.089 0.000 0.858 186 L CB 0.494 42.581 42.059 0.046 0.000 1.120 186 L HN 0.611 nan 8.230 nan 0.000 0.474 187 G N 2.634 111.469 108.800 0.058 0.000 2.153 187 G HA2 -0.312 3.649 3.960 0.001 0.000 0.252 187 G HA3 -0.312 3.649 3.960 0.001 0.000 0.252 187 G C 0.145 175.068 174.900 0.039 0.000 0.994 187 G CA 0.337 45.456 45.100 0.032 0.000 0.698 187 G HN 0.647 nan 8.290 nan 0.000 0.521 188 Q N 0.511 120.353 119.800 0.071 0.000 2.296 188 Q HA 0.549 4.890 4.340 0.001 0.000 0.262 188 Q C 0.388 176.358 176.000 -0.050 0.000 0.981 188 Q CA -0.068 55.789 55.803 0.090 0.000 0.905 188 Q CB 0.469 29.278 28.738 0.119 0.000 1.186 188 Q HN 0.267 nan 8.270 nan 0.000 0.399 189 R N 3.846 124.196 120.500 -0.250 0.000 2.393 189 R HA 0.379 4.720 4.340 0.001 0.000 0.310 189 R C -1.094 174.890 176.300 -0.526 0.000 0.968 189 R CA -0.584 55.032 56.100 -0.806 0.000 0.867 189 R CB 0.788 29.816 30.300 -2.120 0.000 1.124 189 R HN 0.734 nan 8.270 nan 0.000 0.450 190 Y N -0.204 119.799 120.300 -0.494 0.000 2.536 190 Y HA 0.697 5.248 4.550 0.001 0.000 0.347 190 Y C -2.753 173.179 175.900 0.055 0.000 1.000 190 Y CA -3.810 54.198 58.100 -0.154 0.000 1.051 190 Y CB 0.557 38.959 38.460 -0.095 0.000 1.259 190 Y HN 0.367 nan 8.280 nan 0.000 0.468 191 P HA 0.174 nan 4.420 nan 0.000 0.273 191 P C 0.301 177.641 177.300 0.066 0.000 1.250 191 P CA 0.467 63.690 63.100 0.206 0.000 0.793 191 P CB 0.863 32.659 31.700 0.160 0.000 1.011 192 A N 0.992 123.819 122.820 0.011 0.000 1.933 192 A HA -0.163 4.157 4.320 0.001 0.000 0.218 192 A C 2.016 179.584 177.584 -0.027 0.000 1.175 192 A CA 2.196 54.201 52.037 -0.052 0.000 0.628 192 A CB -1.890 17.061 19.000 -0.082 0.000 0.814 192 A HN 0.608 nan 8.150 nan 0.000 0.444 193 S N -0.192 115.513 115.700 0.009 0.000 2.500 193 S HA -0.123 4.347 4.470 0.001 0.000 0.239 193 S C 0.934 175.568 174.600 0.056 0.000 0.989 193 S CA 1.236 59.447 58.200 0.018 0.000 0.951 193 S CB -0.382 62.833 63.200 0.024 0.000 0.759 193 S HN 0.467 nan 8.310 nan 0.000 0.523 194 D N 1.211 121.681 120.400 0.116 0.000 2.363 194 D HA 0.244 4.884 4.640 0.001 0.000 0.226 194 D C 0.002 176.362 176.300 0.100 0.000 1.020 194 D CA 0.477 54.581 54.000 0.174 0.000 0.892 194 D CB 0.027 41.030 40.800 0.339 0.000 0.900 194 D HN 0.492 nan 8.370 nan 0.000 0.531 195 I N 1.051 121.631 120.570 0.017 0.000 2.540 195 I HA 0.215 4.386 4.170 0.001 0.000 0.280 195 I C -2.449 173.586 176.117 -0.136 0.000 1.083 195 I CA -1.929 59.309 61.300 -0.103 0.000 1.080 195 I CB 2.393 40.297 38.000 -0.161 0.000 1.205 195 I HN -0.357 nan 8.210 nan 0.000 0.459 196 P HA 0.097 nan 4.420 nan 0.000 0.271 196 P C 0.820 178.042 177.300 -0.129 0.000 1.233 196 P CA -0.019 63.024 63.100 -0.096 0.000 0.789 196 P CB 0.909 32.571 31.700 -0.064 0.000 0.951 197 A N 1.172 123.933 122.820 -0.099 0.000 1.892 197 A HA -0.279 4.042 4.320 0.001 0.000 0.218 197 A C 2.041 179.560 177.584 -0.108 0.000 1.188 197 A CA 1.648 53.623 52.037 -0.103 0.000 0.631 197 A CB -1.251 17.706 19.000 -0.072 0.000 0.822 197 A HN 0.541 nan 8.150 nan 0.000 0.447 198 Q N -0.864 118.887 119.800 -0.082 0.000 2.084 198 Q HA -0.129 4.212 4.340 0.001 0.000 0.202 198 Q C 2.400 178.331 176.000 -0.115 0.000 0.978 198 Q CA 1.537 57.297 55.803 -0.071 0.000 0.844 198 Q CB -0.703 28.042 28.738 0.012 0.000 0.898 198 Q HN 0.685 nan 8.270 nan 0.000 0.426 199 A N 0.722 123.434 122.820 -0.181 0.000 2.131 199 A HA -0.189 4.132 4.320 0.001 0.000 0.220 199 A C 2.053 179.366 177.584 -0.452 0.000 1.158 199 A CA 1.536 53.355 52.037 -0.364 0.000 0.665 199 A CB -0.292 18.461 19.000 -0.412 0.000 0.795 199 A HN 0.223 nan 8.150 nan 0.000 0.460 200 R N -2.293 118.049 120.500 -0.262 0.000 2.287 200 R HA 0.135 4.475 4.340 0.001 0.000 0.197 200 R C 1.964 178.207 176.300 -0.096 0.000 0.900 200 R CA -0.171 55.808 56.100 -0.202 0.000 1.052 200 R CB 0.038 30.194 30.300 -0.241 0.000 1.117 200 R HN 0.191 nan 8.270 nan 0.000 0.568 201 R N 0.832 121.278 120.500 -0.090 0.000 2.235 201 R HA 0.065 4.406 4.340 0.001 0.000 0.213 201 R C 1.691 177.966 176.300 -0.042 0.000 1.059 201 R CA 0.838 56.902 56.100 -0.060 0.000 0.997 201 R CB -0.228 30.031 30.300 -0.068 0.000 0.884 201 R HN 0.295 nan 8.270 nan 0.000 0.462 202 L N -1.673 119.536 121.223 -0.022 0.000 2.221 202 L HA -0.008 4.332 4.340 0.001 0.000 0.202 202 L C 1.314 178.249 176.870 0.108 0.000 1.074 202 L CA 0.454 55.302 54.840 0.014 0.000 0.795 202 L CB -0.388 41.700 42.059 0.049 0.000 0.960 202 L HN 0.015 nan 8.230 nan 0.000 0.458 203 Y N -0.002 120.239 120.300 -0.098 0.000 2.680 203 Y HA -0.031 4.519 4.550 0.001 0.000 0.303 203 Y C 2.016 177.877 175.900 -0.066 0.000 1.166 203 Y CA 0.441 58.497 58.100 -0.073 0.000 1.344 203 Y CB -0.374 38.059 38.460 -0.046 0.000 1.002 203 Y HN 0.171 nan 8.280 nan 0.000 0.537 204 I N -1.720 118.883 120.570 0.055 0.000 3.300 204 I HA -0.121 4.050 4.170 0.001 0.000 0.279 204 I C 1.638 177.724 176.117 -0.052 0.000 1.172 204 I CA 0.455 61.758 61.300 0.005 0.000 1.431 204 I CB 0.152 38.152 38.000 -0.000 0.000 1.240 204 I HN 0.009 nan 8.210 nan 0.000 0.453 205 Q N 0.545 120.282 119.800 -0.105 0.000 2.432 205 Q HA 0.021 4.361 4.340 0.001 0.000 0.205 205 Q C -0.253 175.546 176.000 -0.334 0.000 0.945 205 Q CA 0.481 56.159 55.803 -0.208 0.000 0.924 205 Q CB 0.172 28.755 28.738 -0.259 0.000 1.016 205 Q HN 0.287 nan 8.270 nan 0.000 0.503 206 N N 0.844 119.393 118.700 -0.252 0.000 2.546 206 N HA 0.140 4.880 4.740 0.001 0.000 0.238 206 N C -2.123 173.287 175.510 -0.167 0.000 0.984 206 N CA -1.791 51.111 53.050 -0.248 0.000 0.935 206 N CB 1.483 39.831 38.487 -0.232 0.000 1.122 206 N HN -0.128 nan 8.380 nan 0.000 0.510 207 P HA -0.086 nan 4.420 nan 0.000 0.215 207 P C 0.216 177.463 177.300 -0.087 0.000 1.157 207 P CA 1.087 64.141 63.100 -0.076 0.000 0.868 207 P CB 0.225 31.903 31.700 -0.037 0.000 0.788 208 I N -2.627 117.887 120.570 -0.093 0.000 2.474 208 I HA 0.696 4.867 4.170 0.001 0.000 0.294 208 I C -0.543 175.490 176.117 -0.140 0.000 1.005 208 I CA -1.614 59.629 61.300 -0.094 0.000 1.113 208 I CB 1.803 39.797 38.000 -0.010 0.000 1.289 208 I HN -0.269 nan 8.210 nan 0.000 0.436 209 R N 5.316 125.704 120.500 -0.186 0.000 2.621 209 R HA 0.743 5.083 4.340 0.001 0.000 0.292 209 R C -2.154 174.096 176.300 -0.083 0.000 0.969 209 R CA -0.652 55.352 56.100 -0.161 0.000 0.887 209 R CB 1.630 31.755 30.300 -0.292 0.000 1.180 209 R HN 0.914 nan 8.270 nan 0.000 0.450 210 L N 5.698 126.915 121.223 -0.010 0.000 2.356 210 L HA 0.613 4.954 4.340 0.001 0.000 0.277 210 L C -1.115 175.785 176.870 0.050 0.000 0.996 210 L CA -0.769 54.094 54.840 0.037 0.000 0.822 210 L CB 1.377 43.490 42.059 0.089 0.000 1.256 210 L HN 0.699 nan 8.230 nan 0.000 0.413 211 I N 4.753 125.343 120.570 0.034 0.000 2.390 211 I HA 0.300 4.470 4.170 0.001 0.000 0.283 211 I C 0.917 177.000 176.117 -0.056 0.000 1.016 211 I CA -0.257 61.039 61.300 -0.008 0.000 1.151 211 I CB 1.904 39.908 38.000 0.008 0.000 1.293 211 I HN 0.765 nan 8.210 nan 0.000 0.458 212 A N 4.249 126.955 122.820 -0.190 0.000 1.873 212 A HA -0.074 4.246 4.320 0.001 0.000 0.215 212 A C 0.730 178.227 177.584 -0.145 0.000 1.186 212 A CA 1.520 53.368 52.037 -0.314 0.000 0.616 212 A CB -0.023 18.457 19.000 -0.868 0.000 0.823 212 A HN 0.667 nan 8.150 nan 0.000 0.442 213 D N -2.337 118.008 120.400 -0.092 0.000 2.964 213 D HA 0.445 5.085 4.640 0.001 0.000 0.234 213 D C 0.428 176.743 176.300 0.026 0.000 1.223 213 D CA -0.358 53.648 54.000 0.010 0.000 0.889 213 D CB 2.225 43.073 40.800 0.080 0.000 1.609 213 D HN -0.132 nan 8.370 nan 0.000 0.523 214 V N 2.455 122.411 119.914 0.069 0.000 2.500 214 V HA 0.001 4.122 4.120 0.001 0.000 0.243 214 V C 2.128 178.377 176.094 0.258 0.000 1.039 214 V CA 1.715 64.073 62.300 0.097 0.000 1.053 214 V CB -0.138 31.715 31.823 0.051 0.000 0.695 214 V HN 0.709 nan 8.190 nan 0.000 0.463 215 A N 0.140 123.077 122.820 0.196 0.000 2.255 215 A HA -0.002 4.319 4.320 0.001 0.000 0.206 215 A C 0.961 178.675 177.584 0.216 0.000 1.193 215 A CA -0.042 52.100 52.037 0.175 0.000 0.794 215 A CB -1.021 18.039 19.000 0.100 0.000 0.794 215 A HN 0.699 nan 8.150 nan 0.000 0.481 216 Y N -0.525 119.808 120.300 0.055 0.000 2.861 216 Y HA 0.294 4.844 4.550 0.001 0.000 0.344 216 Y C 0.406 176.344 175.900 0.062 0.000 1.272 216 Y CA 0.156 58.295 58.100 0.065 0.000 1.502 216 Y CB -0.326 38.187 38.460 0.087 0.000 1.333 216 Y HN 0.010 nan 8.280 nan 0.000 0.634 217 T N 6.314 120.729 114.554 -0.231 0.000 2.753 217 T HA 0.423 4.774 4.350 0.001 0.000 0.297 217 T C -2.700 171.793 174.700 -0.344 0.000 0.981 217 T CA -2.226 59.682 62.100 -0.320 0.000 0.956 217 T CB -0.221 68.584 68.868 -0.106 0.000 0.936 217 T HN 0.599 nan 8.240 nan 0.000 0.463 218 P HA 0.082 nan 4.420 nan 0.000 0.261 218 P C -0.561 176.708 177.300 -0.052 0.000 1.183 218 P CA -0.122 62.838 63.100 -0.234 0.000 0.761 218 P CB 0.218 31.812 31.700 -0.176 0.000 0.785 219 M N 4.941 124.557 119.600 0.028 0.000 2.261 219 M HA 0.151 4.632 4.480 0.001 0.000 0.349 219 M C 0.232 176.524 176.300 -0.012 0.000 1.305 219 M CA 0.040 55.359 55.300 0.033 0.000 1.240 219 M CB -0.256 32.377 32.600 0.055 0.000 1.394 219 M HN 0.154 nan 8.290 nan 0.000 0.438 220 R N 2.164 122.635 120.500 -0.050 0.000 2.641 220 R HA 0.472 4.813 4.340 0.001 0.000 0.269 220 R C -0.314 175.715 176.300 -0.451 0.000 1.074 220 R CA -0.511 55.435 56.100 -0.256 0.000 1.133 220 R CB 0.265 30.384 30.300 -0.303 0.000 1.029 220 R HN 0.589 nan 8.270 nan 0.000 0.488 221 V N 0.020 119.591 119.914 -0.572 0.000 2.547 221 V HA 0.708 4.829 4.120 0.001 0.000 0.299 221 V C -0.868 174.827 176.094 -0.666 0.000 1.040 221 V CA -0.751 61.297 62.300 -0.421 0.000 0.913 221 V CB 1.048 32.790 31.823 -0.134 0.000 0.992 221 V HN 0.539 nan 8.190 nan 0.000 0.449 222 F N 2.619 122.628 119.950 0.098 0.000 2.588 222 F HA 0.753 5.280 4.527 0.001 0.000 0.310 222 F C -2.527 173.343 175.800 0.118 0.000 1.082 222 F CA -2.502 55.562 58.000 0.106 0.000 0.929 222 F CB 2.099 41.139 39.000 0.067 0.000 1.254 222 F HN 0.348 nan 8.300 nan 0.000 0.455 223 P HA 0.142 nan 4.420 nan 0.000 0.268 223 P C 0.051 177.535 177.300 0.306 0.000 1.205 223 P CA 0.177 63.474 63.100 0.328 0.000 0.771 223 P CB 0.957 32.787 31.700 0.216 0.000 0.858 224 A N 4.155 127.136 122.820 0.269 0.000 1.933 224 A HA -0.056 4.264 4.320 0.001 0.000 0.218 224 A C 0.858 178.474 177.584 0.054 0.000 1.175 224 A CA 1.376 53.498 52.037 0.142 0.000 0.628 224 A CB -0.637 18.445 19.000 0.137 0.000 0.814 224 A HN 0.445 nan 8.150 nan 0.000 0.444 225 L N 0.346 121.580 121.223 0.019 0.000 2.325 225 L HA 0.270 4.611 4.340 0.001 0.000 0.279 225 L C -0.172 176.577 176.870 -0.201 0.000 1.054 225 L CA -0.463 54.309 54.840 -0.114 0.000 0.804 225 L CB 0.751 42.777 42.059 -0.056 0.000 1.200 225 L HN 0.291 nan 8.230 nan 0.000 0.436 226 N N 4.587 122.997 118.700 -0.484 0.000 2.431 226 N HA 0.089 4.829 4.740 0.001 0.000 0.265 226 N C -1.766 173.664 175.510 -0.133 0.000 1.184 226 N CA -1.397 51.371 53.050 -0.470 0.000 0.943 226 N CB 1.256 39.315 38.487 -0.714 0.000 1.080 226 N HN 0.266 nan 8.380 nan 0.000 0.477 227 P HA -0.162 nan 4.420 nan 0.000 0.217 227 P C 0.660 177.958 177.300 -0.004 0.000 1.151 227 P CA 1.353 64.458 63.100 0.008 0.000 0.849 227 P CB 0.413 32.137 31.700 0.040 0.000 0.787 228 E N -1.778 118.423 120.200 0.001 0.000 2.076 228 E HA -0.069 4.281 4.350 0.001 0.000 0.190 228 E C 1.956 178.548 176.600 -0.014 0.000 0.979 228 E CA 1.409 57.810 56.400 0.001 0.000 0.807 228 E CB -1.167 28.544 29.700 0.018 0.000 0.761 228 E HN 0.214 nan 8.360 nan 0.000 0.454 229 T N -0.634 113.899 114.554 -0.036 0.000 3.022 229 T HA 0.024 4.374 4.350 0.001 0.000 0.250 229 T C 0.602 175.271 174.700 -0.052 0.000 1.060 229 T CA 0.450 62.527 62.100 -0.039 0.000 1.013 229 T CB -0.339 68.505 68.868 -0.040 0.000 0.982 229 T HN 0.314 nan 8.240 nan 0.000 0.508 230 N N 0.842 119.498 118.700 -0.072 0.000 2.725 230 N HA -0.149 4.592 4.740 0.001 0.000 0.249 230 N C -1.083 174.378 175.510 -0.081 0.000 1.103 230 N CA 0.593 53.603 53.050 -0.068 0.000 0.707 230 N CB -0.402 38.064 38.487 -0.035 0.000 1.043 230 N HN 0.637 nan 8.380 nan 0.000 0.553 231 E N -0.533 119.589 120.200 -0.130 0.000 2.390 231 E HA 0.285 4.636 4.350 0.001 0.000 0.277 231 E C -0.945 175.530 176.600 -0.208 0.000 0.939 231 E CA -0.787 55.543 56.400 -0.118 0.000 0.769 231 E CB 1.578 31.244 29.700 -0.057 0.000 1.251 231 E HN 0.065 nan 8.360 nan 0.000 0.450 232 S N 1.278 116.893 115.700 -0.141 0.000 2.558 232 S HA 0.034 4.504 4.470 0.001 0.000 0.293 232 S C -0.359 174.191 174.600 -0.083 0.000 1.292 232 S CA 0.020 58.136 58.200 -0.140 0.000 1.063 232 S CB -0.056 63.113 63.200 -0.052 0.000 0.831 232 S HN 0.203 nan 8.310 nan 0.000 0.499 233 F N 2.317 122.334 119.950 0.113 0.000 2.543 233 F HA 0.060 4.588 4.527 0.001 0.000 0.375 233 F C 1.100 177.011 175.800 0.184 0.000 1.075 233 F CA -0.475 57.648 58.000 0.205 0.000 1.225 233 F CB 0.194 39.354 39.000 0.267 0.000 1.099 233 F HN 0.396 nan 8.300 nan 0.000 0.561 234 D N 4.675 125.358 120.400 0.472 0.000 2.359 234 D HA 0.111 4.752 4.640 0.001 0.000 0.250 234 D C 0.518 176.930 176.300 0.186 0.000 1.264 234 D CA 0.192 54.419 54.000 0.379 0.000 0.911 234 D CB 0.354 41.463 40.800 0.515 0.000 1.056 234 D HN 0.511 nan 8.370 nan 0.000 0.499 235 L N 2.615 123.870 121.223 0.053 0.000 2.645 235 L HA 0.041 4.381 4.340 0.001 0.000 0.234 235 L C 2.019 178.852 176.870 -0.063 0.000 1.165 235 L CA -0.129 54.636 54.840 -0.124 0.000 0.944 235 L CB -0.070 41.944 42.059 -0.075 0.000 1.149 235 L HN 0.244 nan 8.230 nan 0.000 0.446 236 S N -0.560 115.133 115.700 -0.013 0.000 2.420 236 S HA -0.180 4.290 4.470 0.001 0.000 0.237 236 S C 1.396 175.942 174.600 -0.089 0.000 1.023 236 S CA 1.483 59.660 58.200 -0.039 0.000 0.991 236 S CB -0.179 62.962 63.200 -0.098 0.000 0.792 236 S HN 0.519 nan 8.310 nan 0.000 0.488 237 Y N 0.767 120.814 120.300 -0.421 0.000 2.485 237 Y HA 0.308 4.858 4.550 0.001 0.000 0.260 237 Y C 1.269 176.759 175.900 -0.683 0.000 1.173 237 Y CA -0.608 57.153 58.100 -0.566 0.000 1.252 237 Y CB 0.387 38.447 38.460 -0.667 0.000 1.123 237 Y HN 0.133 nan 8.280 nan 0.000 0.524 238 S N -0.298 115.262 115.700 -0.234 0.000 2.600 238 S HA 0.149 4.620 4.470 0.001 0.000 0.265 238 S C 0.933 175.486 174.600 -0.080 0.000 1.325 238 S CA -0.365 57.789 58.200 -0.076 0.000 1.002 238 S CB 1.238 64.418 63.200 -0.033 0.000 0.921 238 S HN 0.089 nan 8.310 nan 0.000 0.554 239 V N 3.169 123.076 119.914 -0.011 0.000 3.604 239 V HA 0.248 4.369 4.120 0.001 0.000 0.277 239 V C 1.352 177.461 176.094 0.026 0.000 1.399 239 V CA 0.147 62.451 62.300 0.008 0.000 1.034 239 V CB -0.357 31.496 31.823 0.051 0.000 0.824 239 V HN 0.781 nan 8.190 nan 0.000 0.439 240 L N -0.035 121.191 121.223 0.006 0.000 2.616 240 L HA 0.288 4.629 4.340 0.001 0.000 0.229 240 L C 1.411 178.284 176.870 0.005 0.000 1.110 240 L CA 0.039 54.865 54.840 -0.023 0.000 0.884 240 L CB 0.139 42.165 42.059 -0.055 0.000 1.115 240 L HN 0.217 nan 8.230 nan 0.000 0.481 241 R N 1.554 122.061 120.500 0.011 0.000 2.619 241 R HA -0.047 4.294 4.340 0.001 0.000 0.268 241 R C 0.685 177.020 176.300 0.059 0.000 0.990 241 R CA 0.354 56.470 56.100 0.026 0.000 1.092 241 R CB 0.549 30.857 30.300 0.013 0.000 0.935 241 R HN 0.235 nan 8.270 nan 0.000 0.415 242 S N 2.191 117.950 115.700 0.097 0.000 2.587 242 S HA 0.187 4.658 4.470 0.001 0.000 0.260 242 S C 0.076 174.761 174.600 0.143 0.000 1.353 242 S CA -0.851 57.459 58.200 0.184 0.000 0.995 242 S CB 1.123 64.457 63.200 0.224 0.000 0.912 242 S HN 0.362 nan 8.310 nan 0.000 0.568 243 V N 1.248 121.285 119.914 0.204 0.000 2.732 243 V HA 0.545 4.666 4.120 0.001 0.000 0.310 243 V C 0.704 176.936 176.094 0.230 0.000 1.053 243 V CA -0.907 61.495 62.300 0.170 0.000 0.957 243 V CB 1.518 33.405 31.823 0.108 0.000 1.018 243 V HN 1.050 nan 8.190 nan 0.000 0.452 244 S N 3.104 118.917 115.700 0.188 0.000 2.560 244 S HA 0.151 4.621 4.470 0.001 0.000 0.284 244 S C -1.440 173.278 174.600 0.197 0.000 1.327 244 S CA -0.585 57.716 58.200 0.169 0.000 1.055 244 S CB 0.914 64.198 63.200 0.140 0.000 0.868 244 S HN 0.632 nan 8.310 nan 0.000 0.506 245 P HA -0.053 nan 4.420 nan 0.000 0.218 245 P C 1.217 178.589 177.300 0.120 0.000 1.149 245 P CA 0.828 64.003 63.100 0.126 0.000 0.817 245 P CB 0.038 31.788 31.700 0.084 0.000 0.785 246 I N -1.428 119.219 120.570 0.129 0.000 2.333 246 I HA -0.177 3.993 4.170 0.001 0.000 0.246 246 I C 2.414 178.645 176.117 0.191 0.000 1.106 246 I CA 1.620 62.997 61.300 0.128 0.000 1.411 246 I CB -1.680 36.390 38.000 0.116 0.000 1.082 246 I HN 0.083 nan 8.210 nan 0.000 0.420 247 H N 1.008 120.155 119.070 0.128 0.000 2.357 247 H HA -0.105 4.452 4.556 0.001 0.000 0.301 247 H C 2.429 177.848 175.328 0.151 0.000 1.082 247 H CA 2.008 58.143 56.048 0.144 0.000 1.342 247 H CB -0.119 29.694 29.762 0.085 0.000 1.389 247 H HN 0.226 nan 8.280 nan 0.000 0.511 248 C N 0.726 120.064 119.300 0.064 0.000 2.413 248 C HA -0.137 4.323 4.460 0.001 0.000 0.276 248 C C 2.621 177.624 174.990 0.020 0.000 1.236 248 C CA 1.457 60.489 59.018 0.023 0.000 1.735 248 C CB -0.787 27.055 27.740 0.171 0.000 2.031 248 C HN 0.762 nan 8.230 nan 0.000 0.474 249 E N -0.929 119.309 120.200 0.063 0.000 2.267 249 E HA -0.247 4.103 4.350 0.001 0.000 0.197 249 E C 1.839 178.471 176.600 0.053 0.000 0.998 249 E CA 1.198 57.626 56.400 0.048 0.000 0.830 249 E CB -0.177 29.547 29.700 0.041 0.000 0.751 249 E HN 0.775 nan 8.360 nan 0.000 0.491 250 Y N 0.782 121.027 120.300 -0.091 0.000 2.176 250 Y HA -0.035 4.516 4.550 0.001 0.000 0.291 250 Y C 2.012 177.812 175.900 -0.167 0.000 1.122 250 Y CA 1.010 59.041 58.100 -0.114 0.000 1.128 250 Y CB -0.490 37.908 38.460 -0.102 0.000 1.005 250 Y HN -0.009 nan 8.280 nan 0.000 0.509 251 L N -0.135 121.057 121.223 -0.052 0.000 2.265 251 L HA -0.213 4.127 4.340 0.001 0.000 0.215 251 L C 2.192 179.026 176.870 -0.059 0.000 1.117 251 L CA 1.860 56.603 54.840 -0.162 0.000 0.782 251 L CB -0.805 41.080 42.059 -0.289 0.000 0.914 251 L HN 0.374 nan 8.230 nan 0.000 0.441 252 T N -4.493 110.055 114.554 -0.009 0.000 2.937 252 T HA -0.051 4.299 4.350 0.001 0.000 0.260 252 T C 1.705 176.415 174.700 0.016 0.000 1.051 252 T CA 0.573 62.678 62.100 0.008 0.000 1.141 252 T CB -0.275 68.606 68.868 0.021 0.000 0.879 252 T HN 0.180 nan 8.240 nan 0.000 0.459 253 N N 1.535 120.253 118.700 0.029 0.000 2.149 253 N HA 0.028 4.768 4.740 0.001 0.000 0.188 253 N C 1.808 177.344 175.510 0.043 0.000 1.019 253 N CA 1.238 54.301 53.050 0.023 0.000 0.857 253 N CB -0.399 38.079 38.487 -0.014 0.000 0.997 253 N HN 0.473 nan 8.380 nan 0.000 0.426 254 M N -1.041 118.596 119.600 0.061 0.000 2.254 254 M HA 0.033 4.513 4.480 0.001 0.000 0.265 254 M C 0.972 177.285 176.300 0.021 0.000 1.066 254 M CA 1.079 56.409 55.300 0.049 0.000 1.123 254 M CB 0.099 32.678 32.600 -0.035 0.000 1.388 254 M HN 0.291 nan 8.290 nan 0.000 0.425 255 G N 0.778 109.576 108.800 -0.003 0.000 2.131 255 G HA2 -0.149 3.811 3.960 0.001 0.000 0.201 255 G HA3 -0.149 3.811 3.960 0.001 0.000 0.201 255 G C -0.284 174.603 174.900 -0.022 0.000 1.000 255 G CA -0.352 44.745 45.100 -0.005 0.000 0.680 255 G HN 0.298 nan 8.290 nan 0.000 0.514 256 V N 0.689 120.567 119.914 -0.059 0.000 2.459 256 V HA 0.693 4.814 4.120 0.001 0.000 0.295 256 V C 1.024 177.112 176.094 -0.011 0.000 1.029 256 V CA -0.182 62.081 62.300 -0.062 0.000 0.874 256 V CB 1.594 33.266 31.823 -0.252 0.000 0.985 256 V HN 0.519 nan 8.190 nan 0.000 0.438 257 R N 2.518 123.050 120.500 0.053 0.000 2.531 257 R HA 0.685 5.025 4.340 0.001 0.000 0.316 257 R C 0.122 176.472 176.300 0.083 0.000 0.955 257 R CA 0.012 56.148 56.100 0.060 0.000 1.120 257 R CB 0.999 31.335 30.300 0.059 0.000 1.361 257 R HN 0.595 nan 8.270 nan 0.000 0.534 258 A N 1.085 123.993 122.820 0.146 0.000 2.375 258 A HA 0.623 4.943 4.320 0.001 0.000 0.295 258 A C -1.077 176.684 177.584 0.295 0.000 1.066 258 A CA -0.581 51.553 52.037 0.162 0.000 0.722 258 A CB 1.963 21.024 19.000 0.101 0.000 1.206 258 A HN 0.128 nan 8.150 nan 0.000 0.435 259 S N 2.635 118.473 115.700 0.230 0.000 2.568 259 S HA 0.889 5.360 4.470 0.001 0.000 0.293 259 S C -0.837 173.818 174.600 0.092 0.000 1.089 259 S CA -0.527 57.798 58.200 0.209 0.000 0.945 259 S CB 1.283 64.613 63.200 0.216 0.000 1.077 259 S HN 1.080 nan 8.310 nan 0.000 0.485 260 M N 3.518 123.061 119.600 -0.095 0.000 2.373 260 M HA 0.403 4.883 4.480 0.001 0.000 0.290 260 M C -2.048 174.065 176.300 -0.312 0.000 1.143 260 M CA -0.192 54.992 55.300 -0.194 0.000 0.949 260 M CB 1.669 34.146 32.600 -0.205 0.000 1.756 260 M HN 0.842 nan 8.290 nan 0.000 0.494 261 S N 4.618 120.164 115.700 -0.257 0.000 2.548 261 S HA 0.772 5.242 4.470 0.001 0.000 0.276 261 S C -1.184 173.298 174.600 -0.196 0.000 1.129 261 S CA -0.894 57.156 58.200 -0.251 0.000 0.931 261 S CB 1.907 64.949 63.200 -0.265 0.000 1.068 261 S HN 0.565 nan 8.310 nan 0.000 0.480 262 I N 2.770 123.285 120.570 -0.092 0.000 2.354 262 I HA 0.394 4.564 4.170 0.001 0.000 0.286 262 I C 0.388 176.552 176.117 0.079 0.000 1.007 262 I CA -0.375 60.948 61.300 0.040 0.000 1.167 262 I CB 0.876 38.981 38.000 0.174 0.000 1.320 262 I HN 0.710 nan 8.210 nan 0.000 0.458 263 S N 6.986 122.695 115.700 0.016 0.000 2.603 263 S HA 0.611 5.082 4.470 0.001 0.000 0.268 263 S C 0.159 174.787 174.600 0.047 0.000 1.317 263 S CA -0.394 57.823 58.200 0.029 0.000 1.012 263 S CB 1.368 64.573 63.200 0.008 0.000 0.926 263 S HN 0.378 nan 8.310 nan 0.000 0.539 264 I N 2.053 122.664 120.570 0.068 0.000 2.411 264 I HA 0.315 4.486 4.170 0.001 0.000 0.284 264 I C -1.136 175.043 176.117 0.104 0.000 1.012 264 I CA -0.653 60.680 61.300 0.055 0.000 1.119 264 I CB 1.579 39.623 38.000 0.073 0.000 1.261 264 I HN 0.212 nan 8.210 nan 0.000 0.448 265 V N 6.966 126.897 119.914 0.029 0.000 2.293 265 V HA 0.175 4.296 4.120 0.001 0.000 0.275 265 V C 0.201 176.292 176.094 -0.004 0.000 1.021 265 V CA -0.773 61.552 62.300 0.042 0.000 0.815 265 V CB 1.496 33.329 31.823 0.017 0.000 1.025 265 V HN 0.541 nan 8.190 nan 0.000 0.448 266 V N 3.611 123.538 119.914 0.023 0.000 2.339 266 V HA 0.896 5.016 4.120 0.001 0.000 0.261 266 V C 0.914 177.022 176.094 0.024 0.000 1.058 266 V CA 0.730 63.011 62.300 -0.031 0.000 0.897 266 V CB -0.187 31.575 31.823 -0.103 0.000 1.052 266 V HN 1.248 nan 8.190 nan 0.000 0.480 267 G N 5.026 113.827 108.800 0.002 0.000 2.557 267 G HA2 -0.172 3.788 3.960 0.001 0.000 0.292 267 G HA3 -0.172 3.788 3.960 0.001 0.000 0.292 267 G C 0.830 175.743 174.900 0.021 0.000 1.162 267 G CA 0.287 45.395 45.100 0.014 0.000 0.964 267 G HN 1.907 nan 8.290 nan 0.000 0.541 268 G N 0.474 109.291 108.800 0.029 0.000 3.324 268 G HA2 0.491 4.451 3.960 0.001 0.000 0.251 268 G HA3 0.491 4.451 3.960 0.001 0.000 0.251 268 G C 0.434 175.348 174.900 0.024 0.000 1.072 268 G CA 1.158 46.271 45.100 0.022 0.000 0.787 268 G HN 0.700 nan 8.290 nan 0.000 0.537 269 K N 0.854 121.284 120.400 0.050 0.000 2.159 269 K HA 0.430 4.750 4.320 0.001 0.000 0.266 269 K C -0.703 175.957 176.600 0.099 0.000 0.975 269 K CA -0.933 55.390 56.287 0.059 0.000 0.865 269 K CB 1.247 33.805 32.500 0.098 0.000 1.087 269 K HN -0.049 nan 8.250 nan 0.000 0.446 270 L N 6.546 127.797 121.223 0.047 0.000 2.536 270 L HA 0.073 4.413 4.340 0.001 0.000 0.282 270 L C 0.367 177.394 176.870 0.262 0.000 1.174 270 L CA 0.364 55.269 54.840 0.108 0.000 0.989 270 L CB -0.467 41.561 42.059 -0.051 0.000 1.311 270 L HN 0.839 nan 8.230 nan 0.000 0.455 271 W N 5.555 126.924 121.300 0.115 0.000 2.402 271 W HA 0.270 4.930 4.660 0.001 0.000 0.286 271 W C 0.966 177.583 176.519 0.163 0.000 1.221 271 W CA 1.153 58.565 57.345 0.112 0.000 1.257 271 W CB 0.305 29.781 29.460 0.026 0.000 1.120 271 W HN 0.623 nan 8.180 nan 0.000 0.551 272 G N 0.014 109.057 108.800 0.405 0.000 2.328 272 G HA2 0.390 4.351 3.960 0.001 0.000 0.299 272 G HA3 0.390 4.351 3.960 0.001 0.000 0.299 272 G C -2.155 172.794 174.900 0.081 0.000 1.435 272 G CA -0.559 44.583 45.100 0.070 0.000 0.865 272 G HN 0.562 nan 8.290 nan 0.000 0.601 273 L N -2.545 118.611 121.223 -0.111 0.000 2.479 273 L HA 0.924 5.264 4.340 0.001 0.000 0.255 273 L C -1.209 175.350 176.870 -0.519 0.000 1.026 273 L CA -2.097 52.610 54.840 -0.223 0.000 0.842 273 L CB 0.788 42.886 42.059 0.065 0.000 1.444 273 L HN 0.495 nan 8.230 nan 0.000 0.409 274 F N 0.471 120.323 119.950 -0.164 0.000 2.404 274 F HA 0.660 5.187 4.527 0.001 0.000 0.358 274 F C 0.983 176.559 175.800 -0.373 0.000 1.120 274 F CA -0.022 57.796 58.000 -0.303 0.000 1.144 274 F CB 1.658 40.519 39.000 -0.232 0.000 1.133 274 F HN 0.625 nan 8.300 nan 0.000 0.495 275 S N 3.110 118.589 115.700 -0.369 0.000 2.475 275 S HA 0.606 5.076 4.470 0.001 0.000 0.298 275 S C -0.955 173.368 174.600 -0.461 0.000 1.119 275 S CA -0.502 57.468 58.200 -0.384 0.000 1.085 275 S CB 0.534 63.523 63.200 -0.352 0.000 1.028 275 S HN 0.707 nan 8.310 nan 0.000 0.489 276 C N 4.253 123.237 119.300 -0.527 0.000 2.345 276 C HA 0.572 5.032 4.460 0.001 0.000 0.323 276 C C -0.031 174.752 174.990 -0.345 0.000 1.276 276 C CA -0.683 57.961 59.018 -0.623 0.000 1.543 276 C CB -0.369 26.585 27.740 -1.310 0.000 2.211 276 C HN 0.970 nan 8.230 nan 0.000 0.493 277 H N 0.096 119.224 119.070 0.096 0.000 2.651 277 H HA 0.608 5.165 4.556 0.001 0.000 0.353 277 H C -0.777 174.816 175.328 0.443 0.000 1.178 277 H CA -0.447 55.743 56.048 0.238 0.000 1.224 277 H CB 1.563 31.407 29.762 0.137 0.000 1.702 277 H HN 0.755 nan 8.280 nan 0.000 0.550 278 H N 0.793 120.069 119.070 0.342 0.000 3.026 278 H HA 0.121 4.678 4.556 0.001 0.000 0.352 278 H C -0.214 175.161 175.328 0.079 0.000 1.090 278 H CA -0.624 55.517 56.048 0.154 0.000 1.268 278 H CB 0.971 30.744 29.762 0.017 0.000 1.816 278 H HN 0.489 nan 8.280 nan 0.000 0.518 279 M N 1.530 121.095 119.600 -0.058 0.000 2.595 279 M HA 0.123 4.603 4.480 0.001 0.000 0.248 279 M C -0.038 176.292 176.300 0.049 0.000 1.119 279 M CA 0.372 55.665 55.300 -0.011 0.000 1.079 279 M CB -1.087 31.475 32.600 -0.064 0.000 1.472 279 M HN 0.490 nan 8.290 nan 0.000 0.501 280 S N -1.069 114.727 115.700 0.159 0.000 2.546 280 S HA 0.660 5.130 4.470 0.001 0.000 0.274 280 S C -2.967 171.735 174.600 0.169 0.000 1.121 280 S CA -1.632 56.661 58.200 0.156 0.000 0.887 280 S CB 1.874 65.147 63.200 0.122 0.000 1.094 280 S HN -0.111 nan 8.310 nan 0.000 0.474 281 P HA 0.105 nan 4.420 nan 0.000 0.261 281 P C -0.703 176.525 177.300 -0.119 0.000 1.158 281 P CA 0.515 63.607 63.100 -0.013 0.000 0.758 281 P CB 0.176 31.871 31.700 -0.009 0.000 0.763 282 K N 2.941 123.221 120.400 -0.200 0.000 2.482 282 K HA 0.768 5.089 4.320 0.001 0.000 0.257 282 K C -1.806 174.657 176.600 -0.229 0.000 0.969 282 K CA -0.972 55.102 56.287 -0.355 0.000 0.842 282 K CB 1.522 33.550 32.500 -0.785 0.000 1.359 282 K HN 0.343 nan 8.250 nan 0.000 0.441 283 L N 3.839 124.944 121.223 -0.198 0.000 2.543 283 L HA 0.503 4.843 4.340 0.001 0.000 0.265 283 L C -1.823 175.026 176.870 -0.035 0.000 0.945 283 L CA -0.744 54.032 54.840 -0.106 0.000 0.869 283 L CB 1.444 43.438 42.059 -0.107 0.000 1.294 283 L HN 0.609 nan 8.230 nan 0.000 0.405 284 I N 6.371 126.967 120.570 0.043 0.000 2.392 284 I HA 0.521 4.691 4.170 0.001 0.000 0.295 284 I C -1.990 174.192 176.117 0.108 0.000 0.985 284 I CA -2.035 59.319 61.300 0.089 0.000 1.221 284 I CB 1.399 39.498 38.000 0.165 0.000 1.366 284 I HN 0.464 nan 8.210 nan 0.000 0.467 285 P HA -0.023 nan 4.420 nan 0.000 0.269 285 P C 0.310 177.698 177.300 0.146 0.000 1.215 285 P CA 0.000 63.174 63.100 0.123 0.000 0.780 285 P CB 0.400 32.152 31.700 0.087 0.000 0.898 286 Y N 5.061 125.399 120.300 0.062 0.000 2.097 286 Y HA -0.135 4.416 4.550 0.001 0.000 0.282 286 Y C -0.917 175.000 175.900 0.027 0.000 1.152 286 Y CA 2.032 60.159 58.100 0.045 0.000 1.136 286 Y CB -2.038 36.442 38.460 0.032 0.000 0.975 286 Y HN 0.394 nan 8.280 nan 0.000 0.498 287 P HA -0.108 nan 4.420 nan 0.000 0.236 287 P C 1.201 178.457 177.300 -0.073 0.000 1.172 287 P CA 1.227 64.256 63.100 -0.117 0.000 0.759 287 P CB 0.062 31.795 31.700 0.055 0.000 0.843 288 V N -1.086 118.778 119.914 -0.083 0.000 3.263 288 V HA 0.062 4.183 4.120 0.001 0.000 0.248 288 V C 2.321 178.328 176.094 -0.145 0.000 1.145 288 V CA 0.801 63.025 62.300 -0.128 0.000 1.107 288 V CB -0.430 31.355 31.823 -0.063 0.000 0.797 288 V HN 0.031 nan 8.190 nan 0.000 0.467 289 R N -0.308 120.166 120.500 -0.042 0.000 2.090 289 R HA 0.016 4.357 4.340 0.001 0.000 0.228 289 R C 1.993 178.269 176.300 -0.040 0.000 1.110 289 R CA 1.033 57.164 56.100 0.052 0.000 0.973 289 R CB -0.215 30.109 30.300 0.041 0.000 0.869 289 R HN 0.329 nan 8.270 nan 0.000 0.440 290 M N 0.158 119.621 119.600 -0.229 0.000 2.686 290 M HA -0.018 4.463 4.480 0.001 0.000 0.246 290 M C 1.750 178.108 176.300 0.097 0.000 1.096 290 M CA 0.915 56.089 55.300 -0.209 0.000 1.076 290 M CB -0.224 32.037 32.600 -0.565 0.000 1.504 290 M HN 0.017 nan 8.290 nan 0.000 0.524 291 S N -0.767 114.943 115.700 0.017 0.000 2.492 291 S HA 0.093 4.563 4.470 0.001 0.000 0.218 291 S C 1.313 175.780 174.600 -0.223 0.000 1.016 291 S CA 0.158 58.294 58.200 -0.106 0.000 0.916 291 S CB 0.163 63.131 63.200 -0.387 0.000 0.791 291 S HN 0.336 nan 8.310 nan 0.000 0.513 292 F N 1.504 121.480 119.950 0.042 0.000 2.619 292 F HA 0.390 4.917 4.527 0.001 0.000 0.293 292 F C 2.233 178.106 175.800 0.122 0.000 1.119 292 F CA 0.153 58.199 58.000 0.077 0.000 1.445 292 F CB -0.290 38.715 39.000 0.008 0.000 1.119 292 F HN 0.210 nan 8.300 nan 0.000 0.573 293 Q N 0.286 120.212 119.800 0.211 0.000 2.482 293 Q HA 0.000 4.341 4.340 0.001 0.000 0.209 293 Q C 1.683 177.746 176.000 0.104 0.000 0.961 293 Q CA 0.554 56.427 55.803 0.116 0.000 0.945 293 Q CB 0.157 28.912 28.738 0.029 0.000 1.012 293 Q HN 0.501 nan 8.270 nan 0.000 0.515 294 I N -0.812 119.852 120.570 0.156 0.000 4.227 294 I HA -0.012 4.158 4.170 0.001 0.000 0.334 294 I C 0.965 177.167 176.117 0.141 0.000 1.341 294 I CA 0.013 61.392 61.300 0.133 0.000 1.123 294 I CB 0.260 38.371 38.000 0.185 0.000 1.097 294 I HN 0.119 nan 8.210 nan 0.000 0.399 295 F N 0.760 120.739 119.950 0.048 0.000 2.270 295 F HA -0.054 4.473 4.527 0.001 0.000 0.295 295 F C 2.475 178.310 175.800 0.058 0.000 1.087 295 F CA 1.577 59.607 58.000 0.049 0.000 1.365 295 F CB -0.264 38.800 39.000 0.107 0.000 1.056 295 F HN 0.006 nan 8.300 nan 0.000 0.506 296 S N 0.284 116.010 115.700 0.044 0.000 2.359 296 S HA -0.323 4.147 4.470 0.001 0.000 0.222 296 S C 2.023 176.534 174.600 -0.150 0.000 1.038 296 S CA 2.098 60.260 58.200 -0.064 0.000 1.051 296 S CB -0.471 62.754 63.200 0.041 0.000 0.944 296 S HN 0.582 nan 8.310 nan 0.000 0.433 297 Q N 0.293 120.042 119.800 -0.084 0.000 2.014 297 Q HA -0.079 4.261 4.340 0.001 0.000 0.207 297 Q C 2.345 178.259 176.000 -0.142 0.000 0.993 297 Q CA 2.210 57.960 55.803 -0.088 0.000 0.850 297 Q CB -0.711 28.003 28.738 -0.040 0.000 0.916 297 Q HN 0.478 nan 8.270 nan 0.000 0.417 298 V N -0.297 119.524 119.914 -0.155 0.000 2.332 298 V HA -0.341 3.780 4.120 0.001 0.000 0.248 298 V C 2.338 178.268 176.094 -0.273 0.000 1.055 298 V CA 1.711 63.910 62.300 -0.168 0.000 1.038 298 V CB -0.665 31.096 31.823 -0.103 0.000 0.651 298 V HN 0.612 nan 8.190 nan 0.000 0.450 299 C N -0.275 118.718 119.300 -0.512 0.000 2.436 299 C HA -0.155 4.305 4.460 0.001 0.000 0.277 299 C C 3.242 178.039 174.990 -0.322 0.000 1.241 299 C CA 1.645 60.340 59.018 -0.538 0.000 1.721 299 C CB -0.982 26.215 27.740 -0.905 0.000 2.043 299 C HN 0.632 nan 8.230 nan 0.000 0.472 300 S N 0.728 116.262 115.700 -0.277 0.000 2.372 300 S HA -0.216 4.255 4.470 0.001 0.000 0.227 300 S C 2.134 176.602 174.600 -0.221 0.000 1.044 300 S CA 1.716 59.775 58.200 -0.235 0.000 1.050 300 S CB -0.761 62.344 63.200 -0.157 0.000 0.901 300 S HN 0.833 nan 8.310 nan 0.000 0.447 301 A N 1.290 124.007 122.820 -0.172 0.000 1.869 301 A HA -0.166 4.154 4.320 0.001 0.000 0.218 301 A C 2.078 179.574 177.584 -0.147 0.000 1.203 301 A CA 1.911 53.867 52.037 -0.136 0.000 0.638 301 A CB -0.872 18.066 19.000 -0.103 0.000 0.831 301 A HN 0.417 nan 8.150 nan 0.000 0.450 302 I N -0.400 120.078 120.570 -0.152 0.000 2.394 302 I HA -0.165 4.005 4.170 0.001 0.000 0.251 302 I C 2.373 178.388 176.117 -0.170 0.000 1.136 302 I CA 0.929 62.151 61.300 -0.129 0.000 1.425 302 I CB -0.295 37.648 38.000 -0.094 0.000 1.079 302 I HN 0.150 nan 8.210 nan 0.000 0.425 303 V N 0.559 120.317 119.914 -0.260 0.000 2.295 303 V HA -0.286 3.835 4.120 0.001 0.000 0.246 303 V C 2.523 178.383 176.094 -0.389 0.000 1.049 303 V CA 1.996 64.056 62.300 -0.400 0.000 1.024 303 V CB -0.886 30.525 31.823 -0.686 0.000 0.648 303 V HN 0.505 nan 8.190 nan 0.000 0.447 304 E N 2.106 122.102 120.200 -0.340 0.000 2.070 304 E HA -0.275 4.076 4.350 0.001 0.000 0.197 304 E C 2.075 178.586 176.600 -0.147 0.000 1.004 304 E CA 1.986 58.243 56.400 -0.240 0.000 0.805 304 E CB -0.340 29.256 29.700 -0.174 0.000 0.744 304 E HN 0.666 nan 8.360 nan 0.000 0.451 305 R N -0.008 120.419 120.500 -0.121 0.000 2.388 305 R HA 0.144 4.485 4.340 0.001 0.000 0.247 305 R C 1.331 177.591 176.300 -0.068 0.000 0.931 305 R CA 0.139 56.192 56.100 -0.077 0.000 1.082 305 R CB -0.113 30.151 30.300 -0.059 0.000 1.135 305 R HN 0.248 nan 8.270 nan 0.000 0.525 306 L N 0.957 122.125 121.223 -0.091 0.000 2.354 306 L HA 0.142 4.483 4.340 0.001 0.000 0.212 306 L C 2.061 178.907 176.870 -0.039 0.000 1.091 306 L CA 1.333 56.137 54.840 -0.060 0.000 0.828 306 L CB 0.115 42.133 42.059 -0.069 0.000 0.973 306 L HN 0.011 nan 8.230 nan 0.000 0.461 307 E N -0.293 119.872 120.200 -0.059 0.000 2.060 307 E HA -0.170 4.180 4.350 0.001 0.000 0.189 307 E C 1.818 178.420 176.600 0.004 0.000 0.974 307 E CA 0.963 57.362 56.400 -0.003 0.000 0.808 307 E CB -0.115 29.593 29.700 0.014 0.000 0.768 307 E HN 0.676 nan 8.360 nan 0.000 0.453 308 Q N 0.127 119.917 119.800 -0.017 0.000 2.541 308 Q HA -0.009 4.331 4.340 0.001 0.000 0.215 308 Q C 1.558 177.552 176.000 -0.011 0.000 0.977 308 Q CA 1.242 57.039 55.803 -0.010 0.000 0.934 308 Q CB -0.129 28.598 28.738 -0.019 0.000 0.988 308 Q HN 0.104 nan 8.270 nan 0.000 0.521 309 G N 1.024 109.818 108.800 -0.011 0.000 2.545 309 G HA2 -0.102 3.859 3.960 0.001 0.000 0.212 309 G HA3 -0.102 3.859 3.960 0.001 0.000 0.212 309 G C 1.467 176.367 174.900 0.000 0.000 1.144 309 G CA 0.108 45.203 45.100 -0.008 0.000 0.813 309 G HN 0.256 nan 8.290 nan 0.000 0.531 310 R N 0.677 121.181 120.500 0.008 0.000 2.073 310 R HA -0.057 4.283 4.340 0.001 0.000 0.234 310 R C 2.553 178.857 176.300 0.007 0.000 1.134 310 R CA 1.607 57.716 56.100 0.014 0.000 0.952 310 R CB -0.348 29.969 30.300 0.030 0.000 0.850 310 R HN 0.398 nan 8.270 nan 0.000 0.433 311 I N -0.218 120.356 120.570 0.007 0.000 2.361 311 I HA -0.110 4.061 4.170 0.001 0.000 0.251 311 I C 1.778 177.889 176.117 -0.009 0.000 1.133 311 I CA 2.040 63.338 61.300 -0.002 0.000 1.413 311 I CB -1.306 36.693 38.000 -0.001 0.000 1.073 311 I HN 0.139 nan 8.210 nan 0.000 0.424 312 A N 0.727 123.543 122.820 -0.007 0.000 2.168 312 A HA -0.144 4.177 4.320 0.001 0.000 0.215 312 A C 2.101 179.679 177.584 -0.010 0.000 1.152 312 A CA 1.400 53.431 52.037 -0.010 0.000 0.716 312 A CB -0.540 18.454 19.000 -0.010 0.000 0.794 312 A HN 0.624 nan 8.150 nan 0.000 0.465 313 E N 0.017 120.213 120.200 -0.007 0.000 2.102 313 E HA 0.046 4.397 4.350 0.001 0.000 0.190 313 E C 1.720 178.315 176.600 -0.008 0.000 0.971 313 E CA 0.565 56.962 56.400 -0.005 0.000 0.821 313 E CB -0.394 29.306 29.700 0.000 0.000 0.777 313 E HN 0.505 nan 8.360 nan 0.000 0.460 314 L N 0.466 121.682 121.223 -0.011 0.000 2.042 314 L HA -0.183 4.158 4.340 0.001 0.000 0.210 314 L C 2.420 179.275 176.870 -0.025 0.000 1.076 314 L CA 1.199 56.028 54.840 -0.019 0.000 0.749 314 L CB -0.475 41.570 42.059 -0.024 0.000 0.893 314 L HN 0.239 nan 8.230 nan 0.000 0.432 315 L N -1.058 120.149 121.223 -0.025 0.000 2.275 315 L HA -0.172 4.169 4.340 0.001 0.000 0.215 315 L C 2.750 179.606 176.870 -0.023 0.000 1.119 315 L CA 0.833 55.656 54.840 -0.029 0.000 0.790 315 L CB -0.547 41.495 42.059 -0.028 0.000 0.919 315 L HN 0.274 nan 8.230 nan 0.000 0.443 316 R N 0.441 120.930 120.500 -0.018 0.000 2.055 316 R HA -0.116 4.224 4.340 0.001 0.000 0.226 316 R C 2.444 178.736 176.300 -0.013 0.000 1.135 316 R CA 1.665 57.756 56.100 -0.014 0.000 0.959 316 R CB -0.224 30.070 30.300 -0.010 0.000 0.854 316 R HN 0.331 nan 8.270 nan 0.000 0.431 317 V N -0.837 119.071 119.914 -0.010 0.000 2.392 317 V HA -0.187 3.934 4.120 0.001 0.000 0.249 317 V C 2.046 178.133 176.094 -0.011 0.000 1.059 317 V CA 2.263 64.559 62.300 -0.007 0.000 1.051 317 V CB -0.465 31.357 31.823 -0.002 0.000 0.658 317 V HN 0.210 nan 8.190 nan 0.000 0.455 318 S N 1.247 116.935 115.700 -0.020 0.000 2.363 318 S HA -0.210 4.260 4.470 0.001 0.000 0.218 318 S C 2.122 176.707 174.600 -0.025 0.000 1.035 318 S CA 2.570 60.752 58.200 -0.029 0.000 1.043 318 S CB -0.802 62.371 63.200 -0.045 0.000 0.986 318 S HN 1.001 nan 8.310 nan 0.000 0.423 319 T N -0.329 114.209 114.554 -0.027 0.000 3.098 319 T HA -0.030 4.320 4.350 0.001 0.000 0.266 319 T C 1.421 176.108 174.700 -0.022 0.000 1.145 319 T CA 1.568 63.652 62.100 -0.026 0.000 1.092 319 T CB -0.167 68.685 68.868 -0.027 0.000 0.908 319 T HN 0.406 nan 8.240 nan 0.000 0.526 320 E N 2.335 122.525 120.200 -0.017 0.000 2.030 320 E HA -0.046 4.305 4.350 0.001 0.000 0.189 320 E C 2.502 179.095 176.600 -0.013 0.000 0.974 320 E CA 0.814 57.206 56.400 -0.014 0.000 0.807 320 E CB -0.248 29.447 29.700 -0.009 0.000 0.771 320 E HN 0.628 nan 8.360 nan 0.000 0.451 321 R N 0.542 121.039 120.500 -0.006 0.000 2.189 321 R HA -0.014 4.326 4.340 0.001 0.000 0.223 321 R C 2.217 178.511 176.300 -0.009 0.000 1.092 321 R CA 1.049 57.149 56.100 -0.000 0.000 0.989 321 R CB -0.439 29.871 30.300 0.018 0.000 0.876 321 R HN 0.065 nan 8.270 nan 0.000 0.457 322 R N 1.229 121.720 120.500 -0.015 0.000 2.235 322 R HA 0.016 4.356 4.340 0.001 0.000 0.213 322 R C 2.042 178.322 176.300 -0.035 0.000 1.059 322 R CA 0.594 56.680 56.100 -0.024 0.000 0.997 322 R CB -0.049 30.235 30.300 -0.027 0.000 0.884 322 R HN 0.427 nan 8.270 nan 0.000 0.462 323 L N -0.534 120.670 121.223 -0.032 0.000 2.253 323 L HA 0.157 4.497 4.340 0.001 0.000 0.205 323 L C 2.161 179.006 176.870 -0.041 0.000 1.078 323 L CA 1.091 55.910 54.840 -0.036 0.000 0.805 323 L CB -0.206 41.835 42.059 -0.030 0.000 0.963 323 L HN 0.086 nan 8.230 nan 0.000 0.459 324 A N 0.475 123.270 122.820 -0.041 0.000 1.898 324 A HA -0.167 4.154 4.320 0.001 0.000 0.216 324 A C 2.192 179.734 177.584 -0.071 0.000 1.181 324 A CA 1.491 53.495 52.037 -0.056 0.000 0.620 324 A CB -0.938 18.028 19.000 -0.058 0.000 0.819 324 A HN 0.505 nan 8.150 nan 0.000 0.442 325 L N -0.343 120.843 121.223 -0.062 0.000 2.127 325 L HA -0.130 4.210 4.340 0.001 0.000 0.211 325 L C 2.223 179.051 176.870 -0.070 0.000 1.089 325 L CA 2.559 57.359 54.840 -0.066 0.000 0.757 325 L CB -1.117 40.913 42.059 -0.049 0.000 0.899 325 L HN 0.364 nan 8.230 nan 0.000 0.434 326 A N 0.296 123.077 122.820 -0.064 0.000 2.081 326 A HA -0.073 4.247 4.320 0.001 0.000 0.214 326 A C 2.273 179.823 177.584 -0.057 0.000 1.158 326 A CA 0.677 52.674 52.037 -0.067 0.000 0.724 326 A CB -0.379 18.582 19.000 -0.065 0.000 0.826 326 A HN 0.594 nan 8.150 nan 0.000 0.463 327 R N -0.407 120.062 120.500 -0.052 0.000 2.290 327 R HA 0.202 4.542 4.340 0.001 0.000 0.197 327 R C 1.469 177.745 176.300 -0.041 0.000 0.913 327 R CA 0.579 56.653 56.100 -0.043 0.000 1.040 327 R CB -0.379 29.897 30.300 -0.040 0.000 0.992 327 R HN 0.375 nan 8.270 nan 0.000 0.500 328 R N 0.171 120.638 120.500 -0.054 0.000 2.240 328 R HA 0.172 4.512 4.340 0.001 0.000 0.203 328 R C 1.612 177.898 176.300 -0.024 0.000 1.011 328 R CA 1.068 57.135 56.100 -0.054 0.000 1.007 328 R CB 0.157 30.400 30.300 -0.095 0.000 0.911 328 R HN 0.309 nan 8.270 nan 0.000 0.468 329 A N -0.340 122.468 122.820 -0.020 0.000 2.140 329 A HA 0.130 4.450 4.320 0.001 0.000 0.209 329 A C 1.596 179.209 177.584 0.048 0.000 1.181 329 A CA 0.074 52.120 52.037 0.015 0.000 0.824 329 A CB 0.195 19.193 19.000 -0.004 0.000 0.879 329 A HN 0.154 nan 8.150 nan 0.000 0.480 330 R N -0.461 120.043 120.500 0.006 0.000 2.310 330 R HA 0.064 4.404 4.340 0.001 0.000 0.202 330 R C 0.710 177.021 176.300 0.019 0.000 0.933 330 R CA 0.698 56.801 56.100 0.005 0.000 1.054 330 R CB 0.122 30.400 30.300 -0.037 0.000 0.985 330 R HN 0.446 nan 8.270 nan 0.000 0.489 331 D N 0.241 120.652 120.400 0.019 0.000 2.490 331 D HA 0.126 4.766 4.640 0.001 0.000 0.244 331 D C -0.213 176.104 176.300 0.029 0.000 0.979 331 D CA 0.508 54.519 54.000 0.017 0.000 0.924 331 D CB 0.421 41.223 40.800 0.004 0.000 1.075 331 D HN 0.104 nan 8.370 nan 0.000 0.488 332 A N 0.242 123.081 122.820 0.032 0.000 2.337 332 A HA 0.454 4.775 4.320 0.001 0.000 0.329 332 A C -0.283 177.330 177.584 0.049 0.000 1.146 332 A CA -0.512 51.547 52.037 0.035 0.000 0.800 332 A CB 1.061 20.079 19.000 0.030 0.000 1.220 332 A HN -0.006 nan 8.150 nan 0.000 0.472 333 D N 0.924 121.340 120.400 0.026 0.000 2.352 333 D HA 0.109 4.750 4.640 0.001 0.000 0.236 333 D C -0.779 175.469 176.300 -0.086 0.000 1.148 333 D CA 0.718 54.698 54.000 -0.033 0.000 0.844 333 D CB 0.296 40.995 40.800 -0.169 0.000 0.933 333 D HN 0.367 nan 8.370 nan 0.000 0.507 334 D N 0.266 120.674 120.400 0.013 0.000 2.414 334 D HA 0.172 4.812 4.640 0.001 0.000 0.232 334 D C 1.611 177.949 176.300 0.063 0.000 1.070 334 D CA -0.435 53.607 54.000 0.071 0.000 0.839 334 D CB 1.730 42.614 40.800 0.139 0.000 1.079 334 D HN -0.051 nan 8.370 nan 0.000 0.521 335 L N 1.522 122.727 121.223 -0.030 0.000 2.081 335 L HA -0.209 4.132 4.340 0.001 0.000 0.212 335 L C 1.837 178.598 176.870 -0.182 0.000 1.080 335 L CA 1.214 55.950 54.840 -0.173 0.000 0.754 335 L CB -0.316 41.536 42.059 -0.345 0.000 0.893 335 L HN 0.412 nan 8.230 nan 0.000 0.433 336 F N -0.224 119.735 119.950 0.015 0.000 2.408 336 F HA -0.108 4.419 4.527 0.001 0.000 0.300 336 F C 2.380 178.201 175.800 0.035 0.000 1.090 336 F CA 0.769 58.785 58.000 0.027 0.000 1.427 336 F CB -1.167 37.855 39.000 0.036 0.000 1.070 336 F HN 0.042 nan 8.300 nan 0.000 0.549 337 G N 0.357 109.260 108.800 0.171 0.000 2.701 337 G HA2 -0.251 3.710 3.960 0.001 0.000 0.215 337 G HA3 -0.251 3.710 3.960 0.001 0.000 0.215 337 G C 1.795 176.759 174.900 0.106 0.000 1.297 337 G CA 0.999 46.171 45.100 0.120 0.000 0.807 337 G HN 0.426 nan 8.290 nan 0.000 0.608 338 A N -0.558 122.282 122.820 0.034 0.000 2.218 338 A HA 0.456 4.777 4.320 0.001 0.000 0.209 338 A C 2.310 179.921 177.584 0.044 0.000 1.168 338 A CA 0.185 52.230 52.037 0.013 0.000 0.804 338 A CB -0.092 18.867 19.000 -0.069 0.000 0.834 338 A HN 0.347 nan 8.150 nan 0.000 0.482 339 L N -1.008 120.222 121.223 0.012 0.000 2.056 339 L HA -0.153 4.188 4.340 0.001 0.000 0.207 339 L C 2.865 179.776 176.870 0.067 0.000 1.078 339 L CA 1.414 56.247 54.840 -0.012 0.000 0.749 339 L CB -0.390 41.598 42.059 -0.118 0.000 0.901 339 L HN 0.456 nan 8.230 nan 0.000 0.433 340 A N -2.448 120.448 122.820 0.127 0.000 2.132 340 A HA -0.067 4.253 4.320 0.001 0.000 0.213 340 A C 1.070 178.738 177.584 0.140 0.000 1.154 340 A CA -0.063 52.058 52.037 0.141 0.000 0.753 340 A CB -0.549 18.549 19.000 0.164 0.000 0.826 340 A HN 0.331 nan 8.150 nan 0.000 0.469 341 H N 1.057 120.161 119.070 0.058 0.000 3.092 341 H HA -0.023 4.533 4.556 0.001 0.000 0.332 341 H C -1.190 174.172 175.328 0.055 0.000 1.029 341 H CA -0.112 55.967 56.048 0.051 0.000 1.376 341 H CB 1.033 30.819 29.762 0.040 0.000 1.329 341 H HN 0.165 nan 8.280 nan 0.000 0.598 342 P HA -0.184 nan 4.420 nan 0.000 0.214 342 P C 0.872 178.195 177.300 0.038 0.000 1.163 342 P CA 1.486 64.543 63.100 -0.072 0.000 0.889 342 P CB 0.485 32.088 31.700 -0.163 0.000 0.790 343 D N -1.287 119.169 120.400 0.093 0.000 2.470 343 D HA -0.032 4.609 4.640 0.001 0.000 0.238 343 D C 0.554 176.943 176.300 0.148 0.000 1.054 343 D CA 0.454 54.524 54.000 0.117 0.000 0.896 343 D CB -0.276 40.583 40.800 0.097 0.000 1.118 343 D HN -0.085 nan 8.370 nan 0.000 0.497 344 D N 0.117 120.657 120.400 0.233 0.000 2.325 344 D HA 0.236 4.876 4.640 0.001 0.000 0.234 344 D C 0.729 177.108 176.300 0.132 0.000 1.122 344 D CA 0.056 54.140 54.000 0.141 0.000 0.850 344 D CB 0.432 41.264 40.800 0.054 0.000 0.921 344 D HN 0.096 nan 8.370 nan 0.000 0.513 345 G N 0.220 109.117 108.800 0.161 0.000 2.552 345 G HA2 0.401 4.361 3.960 0.001 0.000 0.318 345 G HA3 0.401 4.361 3.960 0.001 0.000 0.318 345 G C 1.073 176.063 174.900 0.150 0.000 1.240 345 G CA -0.792 44.392 45.100 0.140 0.000 1.002 345 G HN 0.220 nan 8.290 nan 0.000 0.493 346 I N -2.454 118.198 120.570 0.137 0.000 2.614 346 I HA 0.071 4.242 4.170 0.001 0.000 0.258 346 I C 2.343 178.679 176.117 0.366 0.000 1.189 346 I CA 1.302 62.749 61.300 0.245 0.000 1.462 346 I CB -0.144 37.801 38.000 -0.091 0.000 1.092 346 I HN 0.325 nan 8.210 nan 0.000 0.442 347 A N 1.738 124.683 122.820 0.209 0.000 1.898 347 A HA 0.178 4.498 4.320 0.001 0.000 0.216 347 A C 2.276 179.984 177.584 0.207 0.000 1.181 347 A CA 1.507 53.667 52.037 0.205 0.000 0.620 347 A CB -0.746 18.340 19.000 0.142 0.000 0.819 347 A HN 0.581 nan 8.150 nan 0.000 0.442 348 A N -1.118 121.802 122.820 0.166 0.000 2.532 348 A HA 0.512 4.832 4.320 0.001 0.000 0.273 348 A C 1.424 179.072 177.584 0.106 0.000 1.342 348 A CA -0.100 52.010 52.037 0.121 0.000 0.929 348 A CB -0.220 18.838 19.000 0.096 0.000 1.051 348 A HN 0.395 nan 8.150 nan 0.000 0.521 349 L N -0.705 120.609 121.223 0.152 0.000 2.221 349 L HA 0.458 4.798 4.340 0.001 0.000 0.202 349 L C 0.224 177.038 176.870 -0.093 0.000 1.074 349 L CA 1.522 56.402 54.840 0.067 0.000 0.795 349 L CB -0.022 42.147 42.059 0.184 0.000 0.960 349 L HN 0.315 nan 8.230 nan 0.000 0.458 350 I N 0.456 120.949 120.570 -0.127 0.000 2.569 350 I HA 0.236 4.407 4.170 0.001 0.000 0.290 350 I C -2.278 173.823 176.117 -0.026 0.000 1.088 350 I CA -1.792 59.382 61.300 -0.210 0.000 1.047 350 I CB 2.230 39.875 38.000 -0.593 0.000 1.237 350 I HN -0.088 nan 8.210 nan 0.000 0.421 351 P HA -0.043 nan 4.420 nan 0.000 0.255 351 P C -1.005 176.313 177.300 0.030 0.000 1.173 351 P CA 0.140 63.241 63.100 0.003 0.000 0.780 351 P CB -0.207 31.467 31.700 -0.043 0.000 0.758 352 C N 1.291 120.648 119.300 0.094 0.000 2.891 352 C HA 0.363 4.824 4.460 0.001 0.000 0.342 352 C C 0.936 176.001 174.990 0.124 0.000 1.126 352 C CA -0.796 58.305 59.018 0.138 0.000 1.322 352 C CB 1.677 29.590 27.740 0.289 0.000 1.763 352 C HN 0.365 nan 8.230 nan 0.000 0.491 353 D N 1.247 121.705 120.400 0.097 0.000 2.378 353 D HA 0.343 4.984 4.640 0.001 0.000 0.222 353 D C 0.997 177.432 176.300 0.225 0.000 0.980 353 D CA 2.008 56.087 54.000 0.133 0.000 0.907 353 D CB 0.311 41.108 40.800 -0.005 0.000 0.899 353 D HN 1.244 nan 8.370 nan 0.000 0.527 354 G N -1.034 107.838 108.800 0.119 0.000 2.361 354 G HA2 0.519 4.480 3.960 0.001 0.000 0.299 354 G HA3 0.519 4.480 3.960 0.001 0.000 0.299 354 G C -1.703 173.036 174.900 -0.267 0.000 1.544 354 G CA -0.154 44.932 45.100 -0.023 0.000 0.860 354 G HN 0.202 nan 8.290 nan 0.000 0.610 355 A N 0.198 122.901 122.820 -0.195 0.000 2.483 355 A HA 1.003 5.323 4.320 0.001 0.000 0.286 355 A C -1.309 176.232 177.584 -0.073 0.000 1.207 355 A CA -0.941 51.001 52.037 -0.158 0.000 0.764 355 A CB 2.167 21.108 19.000 -0.097 0.000 1.341 355 A HN 1.937 nan 8.150 nan 0.000 0.428 356 L N 0.037 121.226 121.223 -0.057 0.000 2.591 356 L HA 0.629 4.969 4.340 0.001 0.000 0.257 356 L C -2.024 174.915 176.870 0.116 0.000 0.935 356 L CA -0.307 54.597 54.840 0.107 0.000 0.873 356 L CB 1.580 43.773 42.059 0.223 0.000 1.397 356 L HN 0.588 nan 8.230 nan 0.000 0.414 357 V N 5.114 125.133 119.914 0.175 0.000 2.577 357 V HA 0.536 4.657 4.120 0.001 0.000 0.303 357 V C -0.209 176.068 176.094 0.305 0.000 1.042 357 V CA -0.342 62.086 62.300 0.212 0.000 0.872 357 V CB 2.130 34.026 31.823 0.121 0.000 0.998 357 V HN 0.788 nan 8.190 nan 0.000 0.423 358 M N 5.737 125.555 119.600 0.362 0.000 2.311 358 M HA 0.678 5.158 4.480 0.001 0.000 0.325 358 M C -1.595 174.894 176.300 0.316 0.000 1.061 358 M CA -0.745 54.761 55.300 0.344 0.000 0.957 358 M CB 1.946 34.766 32.600 0.367 0.000 1.646 358 M HN 0.479 nan 8.290 nan 0.000 0.434 359 L N 3.897 125.307 121.223 0.311 0.000 2.580 359 L HA 0.754 5.095 4.340 0.001 0.000 0.266 359 L C -0.010 177.010 176.870 0.250 0.000 0.955 359 L CA 0.571 55.565 54.840 0.256 0.000 0.886 359 L CB 1.354 43.577 42.059 0.273 0.000 1.263 359 L HN 0.891 nan 8.230 nan 0.000 0.406 360 G N 3.616 112.520 108.800 0.172 0.000 2.564 360 G HA2 -0.251 3.709 3.960 0.001 0.000 0.273 360 G HA3 -0.251 3.709 3.960 0.001 0.000 0.273 360 G C 0.700 175.677 174.900 0.128 0.000 1.242 360 G CA 0.294 45.476 45.100 0.137 0.000 0.951 360 G HN 1.650 nan 8.290 nan 0.000 0.564 361 G N -0.160 108.699 108.800 0.099 0.000 2.679 361 G HA2 0.266 4.226 3.960 0.001 0.000 0.212 361 G HA3 0.266 4.226 3.960 0.001 0.000 0.212 361 G C 0.910 175.858 174.900 0.081 0.000 1.137 361 G CA 1.106 46.251 45.100 0.076 0.000 0.787 361 G HN 0.699 nan 8.290 nan 0.000 0.534 362 R N 0.240 120.811 120.500 0.117 0.000 2.438 362 R HA 0.516 4.856 4.340 0.001 0.000 0.287 362 R C -0.070 176.337 176.300 0.179 0.000 1.077 362 R CA 0.166 56.329 56.100 0.105 0.000 1.034 362 R CB 1.079 31.437 30.300 0.097 0.000 0.993 362 R HN 0.054 nan 8.270 nan 0.000 0.459 363 T N 2.956 117.584 114.554 0.124 0.000 3.143 363 T HA 0.462 4.812 4.350 0.001 0.000 0.312 363 T C -1.471 173.308 174.700 0.131 0.000 0.986 363 T CA -0.911 61.281 62.100 0.153 0.000 1.024 363 T CB 0.407 69.334 68.868 0.098 0.000 1.030 363 T HN 0.498 nan 8.240 nan 0.000 0.448 364 L N 4.833 126.174 121.223 0.197 0.000 2.343 364 L HA 0.871 5.211 4.340 0.001 0.000 0.278 364 L C -0.540 176.434 176.870 0.173 0.000 0.996 364 L CA -0.396 54.547 54.840 0.171 0.000 0.831 364 L CB 1.777 43.977 42.059 0.235 0.000 1.232 364 L HN 0.744 nan 8.230 nan 0.000 0.413 365 S N 6.189 121.986 115.700 0.162 0.000 2.478 365 S HA 0.679 5.149 4.470 0.001 0.000 0.312 365 S C -0.298 174.437 174.600 0.225 0.000 1.094 365 S CA -0.868 57.470 58.200 0.229 0.000 1.081 365 S CB 1.454 64.842 63.200 0.314 0.000 1.007 365 S HN 0.627 nan 8.310 nan 0.000 0.475 366 I N 0.234 120.944 120.570 0.233 0.000 2.359 366 I HA 0.582 4.752 4.170 0.001 0.000 0.294 366 I C 0.701 177.002 176.117 0.307 0.000 0.987 366 I CA -0.763 60.662 61.300 0.208 0.000 1.225 366 I CB 0.661 38.748 38.000 0.145 0.000 1.366 366 I HN 1.016 nan 8.210 nan 0.000 0.466 367 R N 2.723 123.373 120.500 0.250 0.000 3.762 367 R HA -0.095 4.246 4.340 0.001 0.000 0.328 367 R C 0.263 176.735 176.300 0.286 0.000 1.164 367 R CA 0.672 56.929 56.100 0.262 0.000 0.861 367 R CB -1.381 29.085 30.300 0.277 0.000 1.408 367 R HN 1.313 nan 8.270 nan 0.000 0.502 368 G N -0.587 108.299 108.800 0.143 0.000 2.350 368 G HA2 0.050 4.010 3.960 0.001 0.000 0.276 368 G HA3 0.050 4.010 3.960 0.001 0.000 0.276 368 G C -2.066 172.629 174.900 -0.341 0.000 1.313 368 G CA -0.223 44.743 45.100 -0.223 0.000 0.903 368 G HN 0.043 nan 8.290 nan 0.000 0.490 369 D N 0.308 120.339 120.400 -0.614 0.000 2.458 369 D HA 0.556 5.196 4.640 0.001 0.000 0.258 369 D C -0.059 175.888 176.300 -0.588 0.000 1.134 369 D CA -0.498 53.256 54.000 -0.410 0.000 0.915 369 D CB 0.258 40.904 40.800 -0.257 0.000 1.028 369 D HN 0.179 nan 8.370 nan 0.000 0.508 370 F N 0.957 120.797 119.950 -0.184 0.000 2.678 370 F HA 0.212 4.739 4.527 0.001 0.000 0.305 370 F C 1.928 177.546 175.800 -0.304 0.000 1.090 370 F CA -0.284 57.484 58.000 -0.385 0.000 1.272 370 F CB 0.470 39.133 39.000 -0.561 0.000 1.060 370 F HN 0.189 nan 8.300 nan 0.000 0.576 371 E N 0.630 120.800 120.200 -0.050 0.000 2.023 371 E HA -0.184 4.167 4.350 0.001 0.000 0.196 371 E C 2.189 178.741 176.600 -0.079 0.000 1.003 371 E CA 0.973 57.341 56.400 -0.054 0.000 0.809 371 E CB -0.110 29.573 29.700 -0.029 0.000 0.755 371 E HN 0.110 nan 8.360 nan 0.000 0.449 372 R N 0.693 121.148 120.500 -0.074 0.000 2.133 372 R HA -0.255 4.085 4.340 0.001 0.000 0.245 372 R C 2.346 178.627 176.300 -0.032 0.000 1.137 372 R CA 1.904 57.974 56.100 -0.048 0.000 0.947 372 R CB -0.680 29.591 30.300 -0.048 0.000 0.865 372 R HN 0.365 nan 8.270 nan 0.000 0.437 373 Q N -0.699 119.061 119.800 -0.067 0.000 2.123 373 Q HA -0.021 4.320 4.340 0.001 0.000 0.199 373 Q C 1.979 177.930 176.000 -0.081 0.000 0.966 373 Q CA 1.174 56.969 55.803 -0.014 0.000 0.845 373 Q CB 0.015 28.693 28.738 -0.100 0.000 0.907 373 Q HN 0.374 nan 8.270 nan 0.000 0.439 374 A N 0.629 123.317 122.820 -0.220 0.000 1.917 374 A HA -0.192 4.129 4.320 0.001 0.000 0.219 374 A C 2.185 179.595 177.584 -0.290 0.000 1.182 374 A CA 1.834 53.581 52.037 -0.483 0.000 0.633 374 A CB -1.444 17.205 19.000 -0.585 0.000 0.819 374 A HN 0.592 nan 8.150 nan 0.000 0.448 375 G N 0.176 108.896 108.800 -0.132 0.000 2.514 375 G HA2 -0.350 3.610 3.960 0.001 0.000 0.217 375 G HA3 -0.350 3.610 3.960 0.001 0.000 0.217 375 G C 1.338 176.239 174.900 0.002 0.000 1.198 375 G CA 1.336 46.402 45.100 -0.056 0.000 0.780 375 G HN 0.584 nan 8.290 nan 0.000 0.565 376 N N 0.519 119.273 118.700 0.089 0.000 2.094 376 N HA -0.124 4.617 4.740 0.001 0.000 0.191 376 N C 2.212 177.894 175.510 0.287 0.000 1.023 376 N CA 1.373 54.551 53.050 0.213 0.000 0.857 376 N CB -0.762 37.945 38.487 0.367 0.000 1.013 376 N HN 0.237 nan 8.380 nan 0.000 0.426 377 V N 0.680 120.729 119.914 0.225 0.000 2.392 377 V HA -0.159 3.962 4.120 0.001 0.000 0.249 377 V C 2.223 178.278 176.094 -0.065 0.000 1.059 377 V CA 1.068 63.413 62.300 0.074 0.000 1.051 377 V CB -0.593 31.227 31.823 -0.004 0.000 0.658 377 V HN 0.198 nan 8.190 nan 0.000 0.455 378 L N -0.249 120.914 121.223 -0.100 0.000 2.093 378 L HA -0.128 4.213 4.340 0.001 0.000 0.208 378 L C 2.368 179.149 176.870 -0.149 0.000 1.085 378 L CA 1.848 56.541 54.840 -0.246 0.000 0.755 378 L CB -0.505 41.429 42.059 -0.207 0.000 0.904 378 L HN 0.347 nan 8.230 nan 0.000 0.435 379 Q N -1.083 118.687 119.800 -0.050 0.000 2.403 379 Q HA -0.072 4.268 4.340 0.001 0.000 0.203 379 Q C 1.570 177.560 176.000 -0.015 0.000 0.932 379 Q CA 0.200 55.988 55.803 -0.025 0.000 0.945 379 Q CB 0.223 28.962 28.738 0.001 0.000 1.045 379 Q HN 0.334 nan 8.270 nan 0.000 0.511 380 R N -0.582 119.911 120.500 -0.013 0.000 2.508 380 R HA 0.260 4.600 4.340 0.001 0.000 0.300 380 R C 0.258 176.481 176.300 -0.128 0.000 0.970 380 R CA 0.005 56.092 56.100 -0.021 0.000 1.102 380 R CB 0.625 30.993 30.300 0.113 0.000 1.246 380 R HN 0.190 nan 8.270 nan 0.000 0.539 381 L N 0.849 121.971 121.223 -0.168 0.000 3.062 381 L HA 0.277 4.617 4.340 0.001 0.000 0.255 381 L C 0.861 177.680 176.870 -0.085 0.000 1.274 381 L CA 0.008 54.739 54.840 -0.182 0.000 1.047 381 L CB 0.763 42.646 42.059 -0.295 0.000 1.402 381 L HN 0.204 nan 8.230 nan 0.000 0.550 382 Q N -0.263 119.500 119.800 -0.061 0.000 2.349 382 Q HA -0.004 4.337 4.340 0.001 0.000 0.209 382 Q C 2.020 178.009 176.000 -0.017 0.000 0.920 382 Q CA 0.208 55.994 55.803 -0.028 0.000 0.901 382 Q CB 0.318 29.041 28.738 -0.025 0.000 1.021 382 Q HN 0.382 nan 8.270 nan 0.000 0.519 383 R N 1.059 121.544 120.500 -0.025 0.000 2.127 383 R HA -0.137 4.203 4.340 0.001 0.000 0.238 383 R C -0.250 176.046 176.300 -0.006 0.000 1.134 383 R CA 1.203 57.294 56.100 -0.016 0.000 0.975 383 R CB 0.230 30.518 30.300 -0.019 0.000 0.865 383 R HN -0.006 nan 8.270 nan 0.000 0.447 384 D N -0.579 119.817 120.400 -0.007 0.000 2.420 384 D HA 0.230 4.871 4.640 0.001 0.000 0.255 384 D C -2.317 174.002 176.300 0.032 0.000 1.185 384 D CA -2.335 51.672 54.000 0.012 0.000 0.904 384 D CB 1.987 42.797 40.800 0.016 0.000 1.102 384 D HN 0.005 nan 8.370 nan 0.000 0.534 385 P HA 0.243 nan 4.420 nan 0.000 0.258 385 P C 0.208 177.537 177.300 0.049 0.000 1.416 385 P CA 0.228 63.359 63.100 0.052 0.000 0.927 385 P CB 0.480 32.199 31.700 0.032 0.000 1.444 386 E N -1.137 119.089 120.200 0.045 0.000 2.490 386 E HA 0.095 4.445 4.350 0.001 0.000 0.209 386 E C 0.609 177.235 176.600 0.043 0.000 0.971 386 E CA -0.332 56.086 56.400 0.030 0.000 0.988 386 E CB 0.204 29.916 29.700 0.019 0.000 1.029 386 E HN -0.050 nan 8.360 nan 0.000 0.496 387 R N 1.744 122.294 120.500 0.084 0.000 2.458 387 R HA -0.033 4.307 4.340 0.001 0.000 0.303 387 R C -0.082 176.291 176.300 0.122 0.000 1.013 387 R CA 0.496 56.669 56.100 0.121 0.000 1.026 387 R CB 0.155 30.550 30.300 0.158 0.000 0.948 387 R HN -0.069 nan 8.270 nan 0.000 0.417 388 D N 2.902 123.328 120.400 0.044 0.000 2.423 388 D HA 0.220 4.860 4.640 0.001 0.000 0.208 388 D C -0.065 176.212 176.300 -0.037 0.000 1.068 388 D CA 0.601 54.553 54.000 -0.079 0.000 0.860 388 D CB 0.365 41.112 40.800 -0.088 0.000 0.992 388 D HN 0.419 nan 8.370 nan 0.000 0.504 389 I N -0.180 120.446 120.570 0.094 0.000 2.722 389 I HA 0.340 4.511 4.170 0.001 0.000 0.295 389 I C -1.557 174.709 176.117 0.248 0.000 1.161 389 I CA -1.201 60.176 61.300 0.128 0.000 1.032 389 I CB 2.606 40.644 38.000 0.062 0.000 1.244 389 I HN -0.268 nan 8.210 nan 0.000 0.421 390 Y N 5.926 126.260 120.300 0.057 0.000 2.470 390 Y HA 0.563 5.113 4.550 0.001 0.000 0.341 390 Y C -1.275 174.594 175.900 -0.051 0.000 1.021 390 Y CA -0.589 57.510 58.100 -0.002 0.000 1.025 390 Y CB 1.453 39.898 38.460 -0.025 0.000 1.266 390 Y HN 0.622 nan 8.280 nan 0.000 0.448 391 H N 2.975 121.519 119.070 -0.877 0.000 3.085 391 H HA 0.679 5.236 4.556 0.001 0.000 0.356 391 H C -1.886 173.053 175.328 -0.649 0.000 1.178 391 H CA -0.561 55.003 56.048 -0.807 0.000 1.214 391 H CB 2.149 31.519 29.762 -0.653 0.000 1.881 391 H HN 0.773 nan 8.280 nan 0.000 0.538 392 T N 1.200 115.566 114.554 -0.313 0.000 2.700 392 T HA 0.217 4.568 4.350 0.001 0.000 0.307 392 T C -1.284 173.571 174.700 0.259 0.000 1.580 392 T CA -0.102 61.967 62.100 -0.051 0.000 0.992 392 T CB 1.117 69.914 68.868 -0.118 0.000 1.577 392 T HN 0.795 nan 8.240 nan 0.000 0.496 393 D N 0.419 120.946 120.400 0.212 0.000 2.571 393 D HA 0.317 4.957 4.640 0.001 0.000 0.239 393 D C -0.187 176.173 176.300 0.100 0.000 1.267 393 D CA -0.390 53.722 54.000 0.187 0.000 0.823 393 D CB -0.121 40.763 40.800 0.139 0.000 1.056 393 D HN 0.433 nan 8.370 nan 0.000 0.494 394 N N 0.104 118.900 118.700 0.160 0.000 2.240 394 N HA 0.624 5.364 4.740 0.001 0.000 0.302 394 N C -1.408 174.362 175.510 0.433 0.000 1.106 394 N CA -0.891 52.249 53.050 0.150 0.000 0.778 394 N CB 2.227 40.738 38.487 0.039 0.000 1.431 394 N HN 0.085 nan 8.380 nan 0.000 0.479 409 C N 1.359 120.828 119.300 0.281 0.000 2.578 409 C HA 0.558 5.019 4.460 0.001 0.000 0.285 409 C C 1.207 176.361 174.990 0.273 0.000 1.297 409 C CA 0.375 59.567 59.018 0.289 0.000 1.690 409 C CB -1.619 26.235 27.740 0.190 0.000 1.773 409 C HN 1.060 nan 8.230 nan 0.000 0.594 410 G N 0.575 109.556 108.800 0.300 0.000 2.468 410 G HA2 0.577 4.538 3.960 0.001 0.000 0.315 410 G HA3 0.577 4.538 3.960 0.001 0.000 0.315 410 G C -1.080 174.125 174.900 0.509 0.000 1.203 410 G CA -0.053 45.277 45.100 0.383 0.000 0.962 410 G HN 0.300 nan 8.290 nan 0.000 0.476 411 V N 4.201 124.368 119.914 0.422 0.000 2.524 411 V HA 0.443 4.563 4.120 0.001 0.000 0.297 411 V C -0.426 175.468 176.094 -0.335 0.000 1.035 411 V CA -0.716 61.589 62.300 0.009 0.000 0.867 411 V CB 1.747 33.512 31.823 -0.097 0.000 1.004 411 V HN 0.690 nan 8.190 nan 0.000 0.426 412 L N 4.529 125.419 121.223 -0.555 0.000 2.356 412 L HA 0.947 5.288 4.340 0.001 0.000 0.277 412 L C -0.275 176.430 176.870 -0.274 0.000 0.996 412 L CA -0.382 54.073 54.840 -0.641 0.000 0.822 412 L CB 1.752 43.092 42.059 -1.198 0.000 1.256 412 L HN 0.766 nan 8.230 nan 0.000 0.413 413 A N 6.556 129.240 122.820 -0.227 0.000 2.398 413 A HA 0.758 5.078 4.320 0.001 0.000 0.301 413 A C -1.021 176.573 177.584 0.017 0.000 1.041 413 A CA -0.558 51.296 52.037 -0.304 0.000 0.711 413 A CB 1.415 20.086 19.000 -0.549 0.000 1.240 413 A HN 0.704 nan 8.150 nan 0.000 0.420 414 I N -0.649 119.908 120.570 -0.021 0.000 2.608 414 I HA 0.784 4.954 4.170 0.001 0.000 0.295 414 I C -0.359 175.536 176.117 -0.371 0.000 1.049 414 I CA -0.923 60.327 61.300 -0.084 0.000 1.063 414 I CB 2.026 40.018 38.000 -0.013 0.000 1.248 414 I HN 0.722 nan 8.210 nan 0.000 0.424 415 R N 4.232 124.264 120.500 -0.779 0.000 2.460 415 R HA 0.502 4.843 4.340 0.001 0.000 0.303 415 R C -0.649 175.363 176.300 -0.480 0.000 0.968 415 R CA -0.508 54.898 56.100 -1.156 0.000 0.889 415 R CB 1.120 30.390 30.300 -1.717 0.000 1.123 415 R HN 0.845 nan 8.270 nan 0.000 0.455 416 F N 0.258 119.966 119.950 -0.403 0.000 2.789 416 F HA 0.408 4.935 4.527 0.001 0.000 0.320 416 F C -0.317 175.440 175.800 -0.071 0.000 1.079 416 F CA -0.574 57.304 58.000 -0.202 0.000 1.205 416 F CB 0.334 39.241 39.000 -0.155 0.000 1.046 416 F HN 0.440 nan 8.300 nan 0.000 0.586 417 H N 0.824 119.458 119.070 -0.727 0.000 3.108 417 H HA 0.529 5.085 4.556 0.001 0.000 0.329 417 H C 0.426 175.520 175.328 -0.390 0.000 0.978 417 H CA -1.193 54.600 56.048 -0.424 0.000 1.413 417 H CB 1.247 30.803 29.762 -0.343 0.000 1.670 417 H HN 0.043 nan 8.280 nan 0.000 0.512 418 R N 1.910 122.126 120.500 -0.473 0.000 2.100 418 R HA 0.012 4.353 4.340 0.001 0.000 0.220 418 R C 1.519 177.601 176.300 -0.363 0.000 1.091 418 R CA 0.878 56.766 56.100 -0.354 0.000 0.986 418 R CB 0.257 30.418 30.300 -0.232 0.000 0.888 418 R HN 0.609 nan 8.270 nan 0.000 0.444 419 Q N 0.363 119.826 119.800 -0.563 0.000 2.291 419 Q HA -0.133 4.207 4.340 0.001 0.000 0.206 419 Q C 0.636 176.479 176.000 -0.260 0.000 0.976 419 Q CA 1.176 56.753 55.803 -0.377 0.000 0.875 419 Q CB 0.242 28.774 28.738 -0.344 0.000 0.927 419 Q HN 0.377 nan 8.270 nan 0.000 0.450 420 E N -0.746 119.270 120.200 -0.306 0.000 2.846 420 E HA 0.044 4.395 4.350 0.001 0.000 0.211 420 E C -0.592 175.994 176.600 -0.023 0.000 0.975 420 E CA 0.260 56.627 56.400 -0.055 0.000 1.211 420 E CB 1.132 30.902 29.700 0.116 0.000 1.052 420 E HN 0.230 nan 8.360 nan 0.000 0.487 421 S N -1.141 114.505 115.700 -0.090 0.000 3.867 421 S HA -0.142 4.329 4.470 0.001 0.000 0.334 421 S C 0.233 174.807 174.600 -0.044 0.000 1.069 421 S CA 0.222 58.437 58.200 0.026 0.000 0.977 421 S CB -2.391 60.898 63.200 0.148 0.000 0.889 421 S HN 0.362 nan 8.310 nan 0.000 0.484 422 G N 0.581 109.098 108.800 -0.472 0.000 2.367 422 G HA2 0.436 4.396 3.960 0.001 0.000 0.280 422 G HA3 0.436 4.396 3.960 0.001 0.000 0.280 422 G C -0.333 173.961 174.900 -1.010 0.000 1.175 422 G CA -0.479 43.986 45.100 -1.060 0.000 1.001 422 G HN 0.567 nan 8.290 nan 0.000 0.437 423 W N 1.396 122.571 121.300 -0.207 0.000 2.936 423 W HA 0.671 5.331 4.660 0.001 0.000 0.338 423 W C -0.263 176.319 176.519 0.104 0.000 1.121 423 W CA -0.775 56.539 57.345 -0.052 0.000 1.209 423 W CB 2.054 31.504 29.460 -0.017 0.000 1.420 423 W HN 0.224 nan 8.180 nan 0.000 0.516 424 I N 2.683 123.317 120.570 0.106 0.000 2.533 424 I HA 0.448 4.619 4.170 0.001 0.000 0.290 424 I C -1.210 174.576 176.117 -0.552 0.000 1.056 424 I CA -0.927 60.294 61.300 -0.131 0.000 1.057 424 I CB 1.471 39.323 38.000 -0.247 0.000 1.240 424 I HN 0.123 nan 8.210 nan 0.000 0.423 425 F N 3.410 123.004 119.950 -0.593 0.000 2.561 425 F HA 0.596 5.123 4.527 0.001 0.000 0.321 425 F C -0.968 174.115 175.800 -1.195 0.000 1.065 425 F CA -0.665 56.846 58.000 -0.815 0.000 0.934 425 F CB 1.715 40.279 39.000 -0.727 0.000 1.215 425 F HN 0.284 nan 8.300 nan 0.000 0.471 426 W N 2.004 123.005 121.300 -0.499 0.000 2.785 426 W HA 0.721 5.381 4.660 0.001 0.000 0.333 426 W C -1.628 174.630 176.519 -0.435 0.000 1.062 426 W CA -0.999 56.141 57.345 -0.342 0.000 1.233 426 W CB 0.941 30.351 29.460 -0.084 0.000 1.413 426 W HN 0.163 nan 8.180 nan 0.000 0.489 427 F N 1.880 121.924 119.950 0.155 0.000 2.538 427 F HA 0.757 5.284 4.527 0.001 0.000 0.325 427 F C 0.475 176.305 175.800 0.049 0.000 1.066 427 F CA -1.253 56.785 58.000 0.062 0.000 0.946 427 F CB 1.960 40.807 39.000 -0.255 0.000 1.199 427 F HN 0.101 nan 8.300 nan 0.000 0.473 428 R N 0.297 120.928 120.500 0.219 0.000 2.698 428 R HA 0.426 4.766 4.340 0.001 0.000 0.275 428 R C -1.286 175.008 176.300 -0.009 0.000 1.001 428 R CA -1.155 54.942 56.100 -0.005 0.000 0.896 428 R CB 2.351 32.562 30.300 -0.149 0.000 1.218 428 R HN 0.740 nan 8.270 nan 0.000 0.462 429 H N 0.040 119.187 119.070 0.128 0.000 2.497 429 H HA 0.127 4.683 4.556 0.001 0.000 0.331 429 H C -0.261 175.110 175.328 0.072 0.000 1.457 429 H CA -0.645 55.472 56.048 0.115 0.000 1.459 429 H CB 0.806 30.632 29.762 0.106 0.000 1.728 429 H HN 0.374 nan 8.280 nan 0.000 0.691 430 E N 1.657 121.993 120.200 0.227 0.000 2.257 430 E HA -0.065 4.286 4.350 0.001 0.000 0.278 430 E C -0.533 176.125 176.600 0.096 0.000 1.049 430 E CA -0.247 56.221 56.400 0.114 0.000 0.876 430 E CB 0.492 30.237 29.700 0.076 0.000 1.035 430 E HN 0.503 nan 8.360 nan 0.000 0.419 431 E N 3.082 123.320 120.200 0.062 0.000 2.652 431 E HA -0.015 4.335 4.350 0.001 0.000 0.255 431 E C -0.915 175.758 176.600 0.121 0.000 0.952 431 E CA 0.031 56.486 56.400 0.090 0.000 0.947 431 E CB 0.611 30.368 29.700 0.095 0.000 0.912 431 E HN 0.247 nan 8.360 nan 0.000 0.489 447 I N 2.383 122.947 120.570 -0.010 0.000 2.938 447 I HA 0.673 4.843 4.170 0.001 0.000 0.285 447 I C 1.053 177.157 176.117 -0.022 0.000 1.182 447 I CA -0.558 60.730 61.300 -0.021 0.000 1.388 447 I CB 0.240 38.227 38.000 -0.021 0.000 1.390 447 I HN 0.724 nan 8.210 nan 0.000 0.600 448 G N 2.894 111.674 108.800 -0.035 0.000 2.448 448 G HA2 0.495 4.455 3.960 0.001 0.000 0.285 448 G HA3 0.495 4.455 3.960 0.001 0.000 0.285 448 G C -2.025 172.862 174.900 -0.022 0.000 1.176 448 G CA -1.124 43.959 45.100 -0.028 0.000 0.852 448 G HN 0.564 nan 8.290 nan 0.000 0.530 449 P HA -0.008 nan 4.420 nan 0.000 0.213 449 P C 2.154 179.449 177.300 -0.008 0.000 1.169 449 P CA 0.988 64.084 63.100 -0.007 0.000 0.885 449 P CB 0.250 31.950 31.700 -0.001 0.000 0.779 450 S N -0.835 114.862 115.700 -0.006 0.000 2.382 450 S HA 0.034 4.505 4.470 0.001 0.000 0.228 450 S C 1.376 175.970 174.600 -0.010 0.000 1.027 450 S CA 1.327 59.525 58.200 -0.003 0.000 0.991 450 S CB -0.987 62.216 63.200 0.006 0.000 0.823 450 S HN 0.297 nan 8.310 nan 0.000 0.469 451 G N 1.029 109.815 108.800 -0.024 0.000 2.557 451 G HA2 0.520 4.480 3.960 0.001 0.000 0.310 451 G HA3 0.520 4.480 3.960 0.001 0.000 0.310 451 G C -2.325 172.545 174.900 -0.050 0.000 1.328 451 G CA -1.391 43.686 45.100 -0.037 0.000 0.945 451 G HN -0.034 nan 8.290 nan 0.000 0.494 452 P HA -0.101 nan 4.420 nan 0.000 0.208 452 P C 0.474 177.747 177.300 -0.044 0.000 1.180 452 P CA 1.049 64.130 63.100 -0.032 0.000 0.935 452 P CB 0.258 31.946 31.700 -0.020 0.000 0.785 453 R N -0.785 119.684 120.500 -0.051 0.000 2.547 453 R HA 0.388 4.729 4.340 0.001 0.000 0.280 453 R C -1.052 175.185 176.300 -0.106 0.000 1.630 453 R CA -0.470 55.593 56.100 -0.061 0.000 1.470 453 R CB 0.497 30.784 30.300 -0.023 0.000 1.178 453 R HN 0.024 nan 8.270 nan 0.000 0.591 454 L N 2.465 123.568 121.223 -0.201 0.000 2.502 454 L HA 0.408 4.749 4.340 0.001 0.000 0.247 454 L C -0.832 175.600 176.870 -0.730 0.000 1.180 454 L CA 0.194 54.808 54.840 -0.375 0.000 0.956 454 L CB 1.046 42.897 42.059 -0.347 0.000 1.282 454 L HN 0.571 nan 8.230 nan 0.000 0.470 455 T N -0.428 113.847 114.554 -0.466 0.000 2.718 455 T HA 0.473 4.823 4.350 0.001 0.000 0.306 455 T C -2.521 172.196 174.700 0.029 0.000 1.485 455 T CA -1.143 60.792 62.100 -0.276 0.000 0.997 455 T CB 1.179 69.976 68.868 -0.118 0.000 1.504 455 T HN -0.091 nan 8.240 nan 0.000 0.497 456 P HA -0.147 nan 4.420 nan 0.000 0.216 456 P C 1.586 178.954 177.300 0.114 0.000 1.157 456 P CA 1.206 64.344 63.100 0.064 0.000 0.880 456 P CB 0.056 31.782 31.700 0.043 0.000 0.791 457 R N -0.489 120.067 120.500 0.093 0.000 2.148 457 R HA -0.056 4.285 4.340 0.001 0.000 0.227 457 R C 2.191 178.564 176.300 0.122 0.000 1.103 457 R CA 1.764 57.915 56.100 0.086 0.000 0.983 457 R CB -0.956 29.373 30.300 0.048 0.000 0.874 457 R HN 0.196 nan 8.270 nan 0.000 0.451 458 G N -0.887 107.965 108.800 0.087 0.000 2.426 458 G HA2 -0.122 3.838 3.960 0.001 0.000 0.214 458 G HA3 -0.122 3.838 3.960 0.001 0.000 0.214 458 G C 1.327 176.312 174.900 0.141 0.000 1.156 458 G CA 0.306 45.456 45.100 0.083 0.000 0.802 458 G HN 0.277 nan 8.290 nan 0.000 0.534 459 S N 0.181 115.980 115.700 0.165 0.000 2.402 459 S HA -0.033 4.437 4.470 0.001 0.000 0.229 459 S C 1.804 176.573 174.600 0.282 0.000 1.021 459 S CA 0.579 58.909 58.200 0.216 0.000 0.974 459 S CB -0.286 63.042 63.200 0.214 0.000 0.800 459 S HN 0.406 nan 8.310 nan 0.000 0.484 460 F N 2.172 122.211 119.950 0.148 0.000 2.206 460 F HA -0.034 4.493 4.527 0.001 0.000 0.298 460 F C 2.184 178.147 175.800 0.270 0.000 1.090 460 F CA 1.200 59.315 58.000 0.191 0.000 1.323 460 F CB -0.061 39.008 39.000 0.115 0.000 1.028 460 F HN 0.166 nan 8.300 nan 0.000 0.492 461 E N 0.128 120.575 120.200 0.411 0.000 2.072 461 E HA -0.172 4.179 4.350 0.001 0.000 0.191 461 E C 2.341 179.040 176.600 0.165 0.000 0.985 461 E CA 0.947 57.512 56.400 0.275 0.000 0.801 461 E CB -0.379 29.442 29.700 0.202 0.000 0.750 461 E HN 0.463 nan 8.360 nan 0.000 0.452 462 A N 0.744 123.660 122.820 0.161 0.000 1.933 462 A HA -0.192 4.128 4.320 0.001 0.000 0.218 462 A C 1.848 179.496 177.584 0.108 0.000 1.175 462 A CA 1.255 53.361 52.037 0.114 0.000 0.628 462 A CB -0.903 18.169 19.000 0.120 0.000 0.814 462 A HN 0.564 nan 8.150 nan 0.000 0.444 463 W N 0.727 121.989 121.300 -0.064 0.000 2.519 463 W HA -0.015 4.645 4.660 0.001 0.000 0.266 463 W C 1.724 178.140 176.519 -0.173 0.000 1.253 463 W CA 1.320 58.583 57.345 -0.137 0.000 1.274 463 W CB 0.100 29.440 29.460 -0.199 0.000 1.114 463 W HN 0.451 nan 8.180 nan 0.000 0.596 464 E N 0.176 120.292 120.200 -0.141 0.000 2.107 464 E HA -0.199 4.151 4.350 0.001 0.000 0.191 464 E C 1.853 178.306 176.600 -0.244 0.000 0.982 464 E CA 1.456 57.686 56.400 -0.283 0.000 0.809 464 E CB -0.166 29.514 29.700 -0.034 0.000 0.756 464 E HN 0.443 nan 8.360 nan 0.000 0.459 465 E N 0.275 120.397 120.200 -0.131 0.000 2.204 465 E HA -0.137 4.213 4.350 0.001 0.000 0.195 465 E C 2.041 178.553 176.600 -0.147 0.000 0.990 465 E CA 0.701 57.044 56.400 -0.095 0.000 0.821 465 E CB 0.190 29.867 29.700 -0.039 0.000 0.750 465 E HN 0.094 nan 8.360 nan 0.000 0.477 466 V N 0.977 120.740 119.914 -0.251 0.000 2.407 466 V HA -0.148 3.972 4.120 0.001 0.000 0.245 466 V C 2.187 178.032 176.094 -0.415 0.000 1.041 466 V CA 1.555 63.668 62.300 -0.312 0.000 1.040 466 V CB 0.147 31.768 31.823 -0.336 0.000 0.671 466 V HN 0.254 nan 8.190 nan 0.000 0.455 467 V N -2.576 117.003 119.914 -0.558 0.000 3.596 467 V HA 0.215 4.335 4.120 0.001 0.000 0.289 467 V C 2.020 178.011 176.094 -0.172 0.000 1.336 467 V CA 0.439 62.453 62.300 -0.476 0.000 1.137 467 V CB -0.687 30.642 31.823 -0.823 0.000 0.966 467 V HN 0.313 nan 8.190 nan 0.000 0.428 468 R N 1.412 121.845 120.500 -0.111 0.000 2.189 468 R HA 0.027 4.368 4.340 0.001 0.000 0.223 468 R C 2.092 178.412 176.300 0.034 0.000 1.092 468 R CA 1.361 57.435 56.100 -0.043 0.000 0.989 468 R CB -0.240 30.033 30.300 -0.045 0.000 0.876 468 R HN 0.656 nan 8.270 nan 0.000 0.457 469 G N -0.757 108.112 108.800 0.116 0.000 2.887 469 G HA2 -0.024 3.937 3.960 0.001 0.000 0.211 469 G HA3 -0.024 3.937 3.960 0.001 0.000 0.211 469 G C -0.173 174.653 174.900 -0.124 0.000 1.152 469 G CA -0.136 44.944 45.100 -0.033 0.000 0.769 469 G HN 0.263 nan 8.290 nan 0.000 0.541 470 H N 0.175 119.230 119.070 -0.026 0.000 2.479 470 H HA 0.587 5.143 4.556 0.001 0.000 0.335 470 H C 0.323 175.639 175.328 -0.021 0.000 1.142 470 H CA -0.562 55.477 56.048 -0.015 0.000 1.234 470 H CB 1.708 31.440 29.762 -0.050 0.000 1.503 470 H HN 0.149 nan 8.280 nan 0.000 0.510 471 S N 0.388 116.139 115.700 0.085 0.000 2.745 471 S HA 0.323 4.794 4.470 0.001 0.000 0.292 471 S C -0.147 174.406 174.600 -0.079 0.000 1.133 471 S CA -0.831 57.365 58.200 -0.006 0.000 0.998 471 S CB 0.689 63.856 63.200 -0.054 0.000 1.087 471 S HN 0.719 nan 8.310 nan 0.000 0.551 472 T N 0.540 115.000 114.554 -0.156 0.000 2.831 472 T HA 0.296 4.647 4.350 0.001 0.000 0.291 472 T C -2.632 171.861 174.700 -0.344 0.000 0.981 472 T CA -0.940 61.043 62.100 -0.195 0.000 1.174 472 T CB -0.774 67.977 68.868 -0.194 0.000 0.929 472 T HN 0.461 nan 8.240 nan 0.000 0.532 473 P HA 0.019 nan 4.420 nan 0.000 0.264 473 P C -0.436 176.688 177.300 -0.293 0.000 1.183 473 P CA -0.326 62.645 63.100 -0.214 0.000 0.763 473 P CB 0.258 31.856 31.700 -0.171 0.000 0.807 474 W N 2.584 123.813 121.300 -0.118 0.000 2.565 474 W HA 0.072 4.733 4.660 0.001 0.000 0.325 474 W C 0.507 176.895 176.519 -0.218 0.000 1.408 474 W CA 0.167 57.410 57.345 -0.169 0.000 1.350 474 W CB -0.559 28.786 29.460 -0.192 0.000 1.426 474 W HN 0.290 nan 8.180 nan 0.000 0.538 475 S N 2.492 118.185 115.700 -0.011 0.000 2.573 475 S HA -0.168 4.303 4.470 0.001 0.000 0.297 475 S C 1.426 175.989 174.600 -0.062 0.000 1.280 475 S CA 0.122 58.287 58.200 -0.059 0.000 1.061 475 S CB 0.673 63.841 63.200 -0.053 0.000 0.812 475 S HN 0.686 nan 8.310 nan 0.000 0.500 476 E N 2.716 122.873 120.200 -0.072 0.000 2.267 476 E HA -0.182 4.168 4.350 0.001 0.000 0.197 476 E C 1.330 177.887 176.600 -0.072 0.000 0.998 476 E CA 1.956 58.314 56.400 -0.070 0.000 0.830 476 E CB -0.412 29.267 29.700 -0.035 0.000 0.751 476 E HN 0.591 nan 8.360 nan 0.000 0.491 477 T N 0.484 115.001 114.554 -0.063 0.000 2.809 477 T HA -0.086 4.265 4.350 0.001 0.000 0.260 477 T C 1.038 175.676 174.700 -0.103 0.000 1.039 477 T CA 0.992 63.050 62.100 -0.070 0.000 1.141 477 T CB -0.397 68.439 68.868 -0.053 0.000 0.869 477 T HN 0.206 nan 8.240 nan 0.000 0.437 478 D N 1.543 121.882 120.400 -0.101 0.000 2.170 478 D HA -0.105 4.536 4.640 0.001 0.000 0.193 478 D C 2.051 178.217 176.300 -0.223 0.000 1.004 478 D CA 0.936 54.848 54.000 -0.147 0.000 0.860 478 D CB -0.487 40.304 40.800 -0.014 0.000 0.931 478 D HN 0.325 nan 8.370 nan 0.000 0.448 479 L N 0.513 121.613 121.223 -0.205 0.000 1.976 479 L HA -0.161 4.179 4.340 0.001 0.000 0.209 479 L C 2.592 179.356 176.870 -0.177 0.000 1.071 479 L CA 1.357 56.049 54.840 -0.246 0.000 0.746 479 L CB -0.711 41.187 42.059 -0.269 0.000 0.890 479 L HN -0.011 nan 8.230 nan 0.000 0.432 480 A N -0.045 122.696 122.820 -0.133 0.000 2.032 480 A HA -0.182 4.138 4.320 0.001 0.000 0.221 480 A C 2.181 179.704 177.584 -0.102 0.000 1.165 480 A CA 1.639 53.617 52.037 -0.099 0.000 0.645 480 A CB -0.702 18.253 19.000 -0.075 0.000 0.807 480 A HN 0.422 nan 8.150 nan 0.000 0.453 481 I N -0.944 119.545 120.570 -0.134 0.000 2.260 481 I HA -0.138 4.032 4.170 0.001 0.000 0.237 481 I C 2.986 179.018 176.117 -0.142 0.000 1.075 481 I CA 0.836 62.052 61.300 -0.140 0.000 1.376 481 I CB -0.633 37.259 38.000 -0.180 0.000 1.107 481 I HN 0.302 nan 8.210 nan 0.000 0.420 482 A N 0.463 123.156 122.820 -0.212 0.000 1.927 482 A HA -0.284 4.036 4.320 0.001 0.000 0.220 482 A C 2.275 179.829 177.584 -0.049 0.000 1.185 482 A CA 1.937 53.901 52.037 -0.122 0.000 0.639 482 A CB -0.631 18.253 19.000 -0.193 0.000 0.820 482 A HN 0.423 nan 8.150 nan 0.000 0.451 483 E N 0.242 120.392 120.200 -0.084 0.000 2.058 483 E HA -0.181 4.169 4.350 0.001 0.000 0.194 483 E C 1.906 178.478 176.600 -0.046 0.000 0.997 483 E CA 1.463 57.826 56.400 -0.061 0.000 0.801 483 E CB -0.239 29.419 29.700 -0.069 0.000 0.746 483 E HN 0.654 nan 8.360 nan 0.000 0.450 484 K N 0.149 120.517 120.400 -0.052 0.000 2.288 484 K HA -0.009 4.311 4.320 0.001 0.000 0.201 484 K C 2.228 178.804 176.600 -0.040 0.000 1.048 484 K CA 0.135 56.395 56.287 -0.045 0.000 0.956 484 K CB -0.000 32.471 32.500 -0.048 0.000 0.746 484 K HN 0.189 nan 8.250 nan 0.000 0.461 485 L N 1.088 122.293 121.223 -0.030 0.000 2.056 485 L HA -0.174 4.167 4.340 0.001 0.000 0.207 485 L C 2.677 179.520 176.870 -0.044 0.000 1.078 485 L CA 1.192 56.018 54.840 -0.023 0.000 0.749 485 L CB -0.320 41.766 42.059 0.044 0.000 0.901 485 L HN 0.202 nan 8.230 nan 0.000 0.433 486 R N -0.027 120.462 120.500 -0.019 0.000 2.115 486 R HA -0.262 4.079 4.340 0.001 0.000 0.239 486 R C 2.321 178.611 176.300 -0.018 0.000 1.133 486 R CA 2.015 58.109 56.100 -0.011 0.000 0.935 486 R CB -0.451 29.841 30.300 -0.013 0.000 0.853 486 R HN 0.251 nan 8.270 nan 0.000 0.433 487 L N 1.341 122.548 121.223 -0.028 0.000 1.990 487 L HA -0.224 4.116 4.340 0.001 0.000 0.213 487 L C 2.182 179.028 176.870 -0.041 0.000 1.072 487 L CA 2.068 56.890 54.840 -0.029 0.000 0.755 487 L CB -0.715 41.325 42.059 -0.032 0.000 0.889 487 L HN 0.230 nan 8.230 nan 0.000 0.432 488 D N -0.941 119.425 120.400 -0.056 0.000 2.228 488 D HA -0.181 4.459 4.640 0.001 0.000 0.203 488 D C 2.282 178.524 176.300 -0.095 0.000 0.988 488 D CA 1.045 55.002 54.000 -0.071 0.000 0.864 488 D CB -0.043 40.713 40.800 -0.074 0.000 0.928 488 D HN 0.258 nan 8.370 nan 0.000 0.469 489 L N -0.639 120.513 121.223 -0.118 0.000 2.162 489 L HA -0.007 4.333 4.340 0.001 0.000 0.205 489 L C 2.434 179.276 176.870 -0.047 0.000 1.086 489 L CA 0.387 55.125 54.840 -0.171 0.000 0.778 489 L CB -0.242 41.559 42.059 -0.430 0.000 0.928 489 L HN 0.069 nan 8.230 nan 0.000 0.446 490 M N -0.096 119.516 119.600 0.021 0.000 2.080 490 M HA -0.242 4.239 4.480 0.001 0.000 0.260 490 M C 2.212 178.509 176.300 -0.005 0.000 1.068 490 M CA 1.931 57.262 55.300 0.051 0.000 1.109 490 M CB -0.612 32.014 32.600 0.044 0.000 1.342 490 M HN 0.183 nan 8.290 nan 0.000 0.405 491 E N 1.034 121.214 120.200 -0.033 0.000 2.209 491 E HA -0.214 4.136 4.350 0.001 0.000 0.196 491 E C 1.699 178.245 176.600 -0.090 0.000 0.993 491 E CA 1.274 57.642 56.400 -0.054 0.000 0.819 491 E CB -0.254 29.413 29.700 -0.055 0.000 0.745 491 E HN 0.348 nan 8.360 nan 0.000 0.477 492 L N -0.425 120.733 121.223 -0.108 0.000 2.127 492 L HA 0.032 4.373 4.340 0.001 0.000 0.203 492 L C 2.107 178.850 176.870 -0.211 0.000 1.080 492 L CA 1.196 55.931 54.840 -0.176 0.000 0.768 492 L CB -0.501 41.467 42.059 -0.151 0.000 0.924 492 L HN 0.345 nan 8.230 nan 0.000 0.444 493 C N -0.850 118.388 119.300 -0.103 0.000 2.446 493 C HA -0.066 4.395 4.460 0.001 0.000 0.277 493 C C 2.488 177.427 174.990 -0.085 0.000 1.275 493 C CA 0.093 59.058 59.018 -0.089 0.000 1.727 493 C CB -0.935 26.670 27.740 -0.226 0.000 2.010 493 C HN 0.406 nan 8.230 nan 0.000 0.486 494 L N 1.900 123.086 121.223 -0.061 0.000 2.551 494 L HA -0.024 4.317 4.340 0.001 0.000 0.228 494 L C 1.914 178.754 176.870 -0.049 0.000 1.153 494 L CA 1.384 56.210 54.840 -0.023 0.000 0.851 494 L CB -1.260 40.799 42.059 -0.001 0.000 0.959 494 L HN 0.526 nan 8.230 nan 0.000 0.451 495 N N -0.753 117.875 118.700 -0.120 0.000 2.236 495 N HA -0.067 4.673 4.740 0.001 0.000 0.196 495 N C 1.173 176.575 175.510 -0.180 0.000 1.114 495 N CA 0.160 53.119 53.050 -0.151 0.000 0.859 495 N CB 0.180 38.554 38.487 -0.189 0.000 0.982 495 N HN 0.415 nan 8.380 nan 0.000 0.493 496 H N -0.610 118.439 119.070 -0.035 0.000 2.547 496 H HA 0.356 4.913 4.556 0.001 0.000 0.274 496 H C 0.438 175.757 175.328 -0.014 0.000 1.024 496 H CA 0.078 56.110 56.048 -0.027 0.000 1.155 496 H CB 0.544 30.283 29.762 -0.037 0.000 1.344 496 H HN 0.201 nan 8.280 nan 0.000 0.598 497 A N 0.000 122.858 122.820 0.064 0.000 2.254 497 A HA 0.000 4.320 4.320 0.001 0.000 0.244 497 A CA 0.000 52.065 52.037 0.046 0.000 0.836 497 A CB 0.000 19.027 19.000 0.045 0.000 0.831 497 A HN 0.000 nan 8.150 nan 0.000 0.486