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 1hfb_1_F DATA FIRST_RESID 23 DATA SEQUENCE VRILGYDPLA SPALLQVQIP ATPTSLETAK RGRREAIDII TGKDDRVLVI DATA SEQUENCE VGPCSIHDLE AAQEYALRLK KLSDELKGDL SIIMRAYLEK PRTTVGWKGL DATA SEQUENCE INDPDVNNTF NINKGLQSAR QLFVNLTNIG LPIGSEMLDT ISPQYLADLV DATA SEQUENCE SFGAIGARTT ESQLHRELAS GLSFPVGFKN GTDGTLNVAV DACQAAAHSH DATA SEQUENCE HFMGVTKHGV AAITTTKGNE HCFVILRGGK KGTNYDAKSV AEAKAQLPAG DATA SEQUENCE SNGLMIDYSH GNSNKDFRNQ PKVNDVVCEQ IANGENAITG VMIESNINEG DATA SEQUENCE NQGIPAEGKA GLKYGVSITD ACIGWETTED VLRKLAAAVR QRREVN 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 23 V HA 0.000 nan 4.120 nan 0.000 0.244 23 V C 0.000 176.088 176.094 -0.010 0.000 1.182 23 V CA 0.000 62.301 62.300 0.002 0.000 1.235 23 V CB 0.000 31.825 31.823 0.003 0.000 1.184 24 R N 0.346 120.836 120.500 -0.016 0.000 2.393 24 R HA 0.392 4.732 4.340 -0.000 0.000 0.244 24 R C -0.343 175.923 176.300 -0.057 0.000 0.920 24 R CA 0.108 56.189 56.100 -0.032 0.000 1.076 24 R CB 0.821 31.105 30.300 -0.027 0.000 1.119 24 R HN 0.282 nan 8.270 nan 0.000 0.524 25 I N 1.943 122.478 120.570 -0.058 0.000 2.328 25 I HA 0.044 4.214 4.170 -0.000 0.000 0.287 25 I C 1.400 177.449 176.117 -0.114 0.000 1.012 25 I CA -0.438 60.789 61.300 -0.121 0.000 1.195 25 I CB 1.610 39.542 38.000 -0.113 0.000 1.350 25 I HN -0.055 nan 8.210 nan 0.000 0.464 26 L N 5.052 126.191 121.223 -0.140 0.000 2.027 26 L HA 0.060 4.400 4.340 -0.000 0.000 0.206 26 L C 1.051 177.860 176.870 -0.101 0.000 1.074 26 L CA 1.317 56.097 54.840 -0.101 0.000 0.745 26 L CB -0.397 41.601 42.059 -0.102 0.000 0.898 26 L HN 0.797 nan 8.230 nan 0.000 0.433 27 G N -3.136 105.542 108.800 -0.202 0.000 2.320 27 G HA2 0.301 4.261 3.960 -0.000 0.000 0.296 27 G HA3 0.301 4.261 3.960 -0.000 0.000 0.296 27 G C -2.185 172.505 174.900 -0.349 0.000 1.306 27 G CA -0.650 44.360 45.100 -0.150 0.000 0.836 27 G HN -0.089 nan 8.290 nan 0.000 0.517 28 Y N 0.160 120.456 120.300 -0.007 0.000 2.442 28 Y HA 0.599 5.149 4.550 -0.000 0.000 0.344 28 Y C -0.435 175.467 175.900 0.002 0.000 0.976 28 Y CA -0.854 57.243 58.100 -0.004 0.000 1.040 28 Y CB 2.610 41.069 38.460 -0.001 0.000 1.228 28 Y HN 0.362 nan 8.280 nan 0.000 0.451 29 D N 3.289 123.775 120.400 0.143 0.000 2.340 29 D HA 0.359 4.999 4.640 -0.000 0.000 0.240 29 D C -2.406 173.949 176.300 0.092 0.000 1.001 29 D CA -1.288 52.767 54.000 0.092 0.000 0.888 29 D CB 1.894 42.728 40.800 0.056 0.000 1.310 29 D HN 0.335 nan 8.370 nan 0.000 0.474 30 P HA 0.181 nan 4.420 nan 0.000 0.268 30 P C -0.871 176.466 177.300 0.061 0.000 1.205 30 P CA -0.466 62.671 63.100 0.062 0.000 0.771 30 P CB 0.879 32.608 31.700 0.048 0.000 0.858 31 L N 2.326 123.591 121.223 0.070 0.000 2.381 31 L HA 0.643 4.983 4.340 -0.000 0.000 0.274 31 L C -0.219 176.713 176.870 0.104 0.000 0.988 31 L CA -0.916 53.972 54.840 0.080 0.000 0.824 31 L CB 1.492 43.608 42.059 0.094 0.000 1.263 31 L HN 0.597 nan 8.230 nan 0.000 0.410 32 A N 3.185 126.071 122.820 0.110 0.000 2.466 32 A HA 0.510 4.830 4.320 -0.000 0.000 0.238 32 A C 0.435 178.145 177.584 0.210 0.000 1.074 32 A CA 0.398 52.513 52.037 0.130 0.000 0.774 32 A CB -0.157 18.916 19.000 0.122 0.000 1.015 32 A HN 0.994 nan 8.150 nan 0.000 0.498 33 S N 1.497 117.273 115.700 0.127 0.000 2.652 33 S HA 0.474 4.944 4.470 -0.000 0.000 0.270 33 S C -2.077 172.449 174.600 -0.123 0.000 1.243 33 S CA -0.987 57.230 58.200 0.029 0.000 0.999 33 S CB 0.873 64.071 63.200 -0.003 0.000 0.973 33 S HN 0.395 nan 8.310 nan 0.000 0.544 34 P HA -0.025 nan 4.420 nan 0.000 0.216 34 P C 1.480 178.612 177.300 -0.279 0.000 1.150 34 P CA 1.886 64.506 63.100 -0.800 0.000 0.837 34 P CB -0.198 30.989 31.700 -0.854 0.000 0.786 35 A N -0.831 121.871 122.820 -0.197 0.000 1.898 35 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 35 A C 2.107 179.678 177.584 -0.021 0.000 1.181 35 A CA 1.285 53.266 52.037 -0.092 0.000 0.620 35 A CB -1.601 17.366 19.000 -0.054 0.000 0.819 35 A HN 0.149 nan 8.150 nan 0.000 0.442 36 L N -0.488 120.736 121.223 0.002 0.000 2.056 36 L HA -0.053 4.287 4.340 -0.000 0.000 0.207 36 L C 2.169 179.065 176.870 0.044 0.000 1.078 36 L CA 1.562 56.421 54.840 0.032 0.000 0.749 36 L CB -0.405 41.683 42.059 0.048 0.000 0.901 36 L HN 0.394 nan 8.230 nan 0.000 0.433 37 L N -0.842 120.422 121.223 0.069 0.000 2.093 37 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 37 L C 2.418 179.327 176.870 0.065 0.000 1.085 37 L CA 1.587 56.486 54.840 0.099 0.000 0.755 37 L CB -0.331 41.864 42.059 0.225 0.000 0.904 37 L HN 0.521 nan 8.230 nan 0.000 0.435 38 Q N -1.342 118.479 119.800 0.035 0.000 2.230 38 Q HA -0.140 4.200 4.340 -0.000 0.000 0.202 38 Q C 2.127 178.142 176.000 0.024 0.000 0.963 38 Q CA 1.011 56.828 55.803 0.024 0.000 0.866 38 Q CB 0.206 28.941 28.738 -0.004 0.000 0.931 38 Q HN 0.392 nan 8.270 nan 0.000 0.452 39 V N 0.670 120.597 119.914 0.023 0.000 2.446 39 V HA -0.211 3.909 4.120 -0.000 0.000 0.244 39 V C 2.000 178.110 176.094 0.026 0.000 1.039 39 V CA 1.479 63.792 62.300 0.023 0.000 1.045 39 V CB -0.279 31.557 31.823 0.022 0.000 0.681 39 V HN 0.339 nan 8.190 nan 0.000 0.459 40 Q N -0.224 119.594 119.800 0.031 0.000 2.084 40 Q HA 0.005 4.345 4.340 -0.000 0.000 0.202 40 Q C 0.628 176.647 176.000 0.031 0.000 0.978 40 Q CA 1.180 57.002 55.803 0.031 0.000 0.844 40 Q CB 0.087 28.846 28.738 0.035 0.000 0.898 40 Q HN 0.516 nan 8.270 nan 0.000 0.426 41 I N 2.286 122.877 120.570 0.036 0.000 2.697 41 I HA 0.245 4.415 4.170 -0.000 0.000 0.279 41 I C -2.306 173.835 176.117 0.040 0.000 1.171 41 I CA -2.102 59.220 61.300 0.037 0.000 1.135 41 I CB 1.024 39.047 38.000 0.039 0.000 1.445 41 I HN -0.078 nan 8.210 nan 0.000 0.541 42 P HA 0.126 nan 4.420 nan 0.000 0.271 42 P C -0.360 176.964 177.300 0.040 0.000 1.218 42 P CA -0.163 62.958 63.100 0.034 0.000 0.780 42 P CB 1.384 33.100 31.700 0.027 0.000 0.901 43 A N 2.656 125.501 122.820 0.042 0.000 2.289 43 A HA 0.479 4.799 4.320 -0.000 0.000 0.298 43 A C 0.896 178.501 177.584 0.035 0.000 1.208 43 A CA -0.312 51.752 52.037 0.046 0.000 0.845 43 A CB -0.390 18.642 19.000 0.052 0.000 1.125 43 A HN 0.641 nan 8.150 nan 0.000 0.517 44 T N 1.022 115.596 114.554 0.033 0.000 2.856 44 T HA 0.272 4.622 4.350 -0.000 0.000 0.306 44 T C -1.830 172.884 174.700 0.024 0.000 1.062 44 T CA -0.879 61.236 62.100 0.026 0.000 1.083 44 T CB 0.380 69.262 68.868 0.023 0.000 0.984 44 T HN 0.326 nan 8.240 nan 0.000 0.542 45 P HA -0.027 nan 4.420 nan 0.000 0.219 45 P C 1.550 178.860 177.300 0.017 0.000 1.146 45 P CA 0.938 64.049 63.100 0.018 0.000 0.808 45 P CB -0.134 31.576 31.700 0.015 0.000 0.779 46 T N -1.447 113.117 114.554 0.015 0.000 2.857 46 T HA -0.078 4.271 4.350 -0.000 0.000 0.266 46 T C 1.945 176.652 174.700 0.013 0.000 1.048 46 T CA 1.472 63.580 62.100 0.012 0.000 1.139 46 T CB -0.731 68.144 68.868 0.010 0.000 0.874 46 T HN 0.089 nan 8.240 nan 0.000 0.455 47 S N 1.401 117.112 115.700 0.017 0.000 2.356 47 S HA -0.032 4.438 4.470 -0.000 0.000 0.223 47 S C 1.927 176.537 174.600 0.018 0.000 1.032 47 S CA 0.783 58.994 58.200 0.018 0.000 1.005 47 S CB -0.425 62.794 63.200 0.032 0.000 0.867 47 S HN 0.164 nan 8.310 nan 0.000 0.449 48 L N 1.559 122.796 121.223 0.024 0.000 2.083 48 L HA -0.033 4.307 4.340 -0.000 0.000 0.209 48 L C 2.440 179.324 176.870 0.024 0.000 1.083 48 L CA 1.614 56.471 54.840 0.028 0.000 0.752 48 L CB -0.892 41.185 42.059 0.030 0.000 0.899 48 L HN 0.200 nan 8.230 nan 0.000 0.433 49 E N -1.006 119.205 120.200 0.018 0.000 2.072 49 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 49 E C 2.097 178.704 176.600 0.011 0.000 0.982 49 E CA 1.593 58.003 56.400 0.016 0.000 0.803 49 E CB -0.217 29.491 29.700 0.013 0.000 0.755 49 E HN 0.376 nan 8.360 nan 0.000 0.453 50 T N 0.390 114.948 114.554 0.005 0.000 2.746 50 T HA -0.140 4.210 4.350 -0.000 0.000 0.267 50 T C 1.798 176.493 174.700 -0.008 0.000 1.039 50 T CA 1.619 63.717 62.100 -0.003 0.000 1.142 50 T CB -0.500 68.362 68.868 -0.010 0.000 0.866 50 T HN 0.334 nan 8.240 nan 0.000 0.444 51 A N 1.586 124.402 122.820 -0.007 0.000 1.902 51 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 51 A C 2.272 179.866 177.584 0.017 0.000 1.181 51 A CA 1.715 53.745 52.037 -0.012 0.000 0.623 51 A CB -0.437 18.559 19.000 -0.006 0.000 0.818 51 A HN 0.438 nan 8.150 nan 0.000 0.443 52 K N -0.738 119.681 120.400 0.030 0.000 2.057 52 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 52 K C 2.352 178.972 176.600 0.032 0.000 1.049 52 K CA 1.517 57.830 56.287 0.044 0.000 0.931 52 K CB -0.181 32.343 32.500 0.040 0.000 0.714 52 K HN 0.500 nan 8.250 nan 0.000 0.440 53 R N 0.513 121.024 120.500 0.018 0.000 2.083 53 R HA -0.138 4.202 4.340 -0.000 0.000 0.237 53 R C 2.288 178.591 176.300 0.006 0.000 1.137 53 R CA 1.935 58.041 56.100 0.010 0.000 0.951 53 R CB -0.671 29.631 30.300 0.004 0.000 0.851 53 R HN 0.309 nan 8.270 nan 0.000 0.434 54 G N 0.579 109.382 108.800 0.004 0.000 2.469 54 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.219 54 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.219 54 G C 1.406 176.318 174.900 0.020 0.000 1.150 54 G CA 0.900 46.002 45.100 0.002 0.000 0.763 54 G HN 0.367 nan 8.290 nan 0.000 0.561 55 R N -0.122 120.405 120.500 0.046 0.000 2.092 55 R HA 0.073 4.413 4.340 -0.000 0.000 0.231 55 R C 2.797 179.111 176.300 0.024 0.000 1.119 55 R CA 0.860 57.008 56.100 0.080 0.000 0.970 55 R CB -0.235 30.149 30.300 0.139 0.000 0.864 55 R HN 0.292 nan 8.270 nan 0.000 0.440 56 R N 0.896 121.403 120.500 0.011 0.000 2.062 56 R HA -0.110 4.230 4.340 -0.000 0.000 0.231 56 R C 2.122 178.398 176.300 -0.040 0.000 1.136 56 R CA 1.413 57.504 56.100 -0.015 0.000 0.948 56 R CB -0.205 30.095 30.300 -0.001 0.000 0.845 56 R HN 0.337 nan 8.270 nan 0.000 0.430 57 E N 0.599 120.781 120.200 -0.030 0.000 2.110 57 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 57 E C 2.051 178.611 176.600 -0.067 0.000 0.988 57 E CA 1.114 57.489 56.400 -0.043 0.000 0.804 57 E CB -0.092 29.588 29.700 -0.033 0.000 0.745 57 E HN 0.355 nan 8.360 nan 0.000 0.458 58 A N 1.382 124.165 122.820 -0.061 0.000 1.858 58 A HA -0.197 4.123 4.320 -0.000 0.000 0.216 58 A C 2.193 179.691 177.584 -0.143 0.000 1.190 58 A CA 1.238 53.223 52.037 -0.086 0.000 0.617 58 A CB -0.691 18.306 19.000 -0.006 0.000 0.827 58 A HN 0.141 nan 8.150 nan 0.000 0.443 59 I N -0.045 120.424 120.570 -0.168 0.000 2.163 59 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 59 I C 1.925 177.929 176.117 -0.189 0.000 1.085 59 I CA 1.676 62.797 61.300 -0.298 0.000 1.347 59 I CB -0.597 37.136 38.000 -0.445 0.000 1.044 59 I HN 0.252 nan 8.210 nan 0.000 0.408 60 D N 0.893 121.218 120.400 -0.125 0.000 2.149 60 D HA -0.140 4.500 4.640 -0.000 0.000 0.198 60 D C 2.225 178.475 176.300 -0.083 0.000 0.990 60 D CA 1.356 55.307 54.000 -0.081 0.000 0.839 60 D CB -0.116 40.649 40.800 -0.058 0.000 0.948 60 D HN 0.371 nan 8.370 nan 0.000 0.460 61 I N 1.000 121.506 120.570 -0.107 0.000 2.277 61 I HA -0.151 4.019 4.170 -0.000 0.000 0.243 61 I C 2.435 178.468 176.117 -0.139 0.000 1.094 61 I CA 0.620 61.852 61.300 -0.114 0.000 1.393 61 I CB -0.290 37.633 38.000 -0.129 0.000 1.078 61 I HN 0.003 nan 8.210 nan 0.000 0.417 62 I N -0.696 119.753 120.570 -0.201 0.000 2.756 62 I HA -0.131 4.038 4.170 -0.000 0.000 0.262 62 I C 1.946 178.005 176.117 -0.097 0.000 1.225 62 I CA 1.512 62.677 61.300 -0.226 0.000 1.472 62 I CB -0.697 37.065 38.000 -0.398 0.000 1.094 62 I HN 0.222 nan 8.210 nan 0.000 0.454 63 T N -2.522 111.992 114.554 -0.066 0.000 3.105 63 T HA 0.451 4.801 4.350 -0.000 0.000 0.253 63 T C 1.445 176.138 174.700 -0.013 0.000 1.047 63 T CA 0.215 62.310 62.100 -0.010 0.000 0.944 63 T CB 0.202 69.078 68.868 0.013 0.000 1.016 63 T HN 0.670 nan 8.240 nan 0.000 0.544 64 G N 2.090 110.871 108.800 -0.033 0.000 2.160 64 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.251 64 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.251 64 G C 0.933 175.822 174.900 -0.019 0.000 1.008 64 G CA 0.359 45.445 45.100 -0.024 0.000 0.724 64 G HN 0.456 nan 8.290 nan 0.000 0.514 65 K N -0.215 120.170 120.400 -0.025 0.000 2.243 65 K HA 0.096 4.416 4.320 -0.000 0.000 0.201 65 K C 0.583 177.170 176.600 -0.022 0.000 1.051 65 K CA 0.855 57.130 56.287 -0.019 0.000 0.970 65 K CB 0.255 32.744 32.500 -0.019 0.000 0.755 65 K HN 0.547 nan 8.250 nan 0.000 0.465 66 D N 0.840 121.222 120.400 -0.031 0.000 2.498 66 D HA 0.051 4.691 4.640 -0.000 0.000 0.247 66 D C -0.254 176.027 176.300 -0.032 0.000 1.070 66 D CA -0.554 53.428 54.000 -0.030 0.000 0.842 66 D CB 1.375 42.153 40.800 -0.037 0.000 1.361 66 D HN -0.060 nan 8.370 nan 0.000 0.484 67 D N 2.183 122.568 120.400 -0.024 0.000 2.319 67 D HA 0.011 4.650 4.640 -0.000 0.000 0.230 67 D C 0.179 176.464 176.300 -0.024 0.000 1.094 67 D CA -0.108 53.879 54.000 -0.021 0.000 0.856 67 D CB 0.012 40.804 40.800 -0.013 0.000 0.915 67 D HN 0.173 nan 8.370 nan 0.000 0.517 68 R N -0.077 120.404 120.500 -0.031 0.000 2.560 68 R HA 0.503 4.843 4.340 -0.000 0.000 0.270 68 R C -0.392 175.881 176.300 -0.045 0.000 1.074 68 R CA -0.761 55.320 56.100 -0.033 0.000 1.140 68 R CB 1.659 31.938 30.300 -0.034 0.000 1.073 68 R HN -0.082 nan 8.270 nan 0.000 0.527 69 V N 3.043 122.931 119.914 -0.044 0.000 2.481 69 V HA 0.143 4.263 4.120 -0.000 0.000 0.286 69 V C -0.295 175.752 176.094 -0.079 0.000 1.042 69 V CA -0.724 61.542 62.300 -0.057 0.000 0.928 69 V CB 1.540 33.341 31.823 -0.037 0.000 0.986 69 V HN 0.424 nan 8.190 nan 0.000 0.462 70 L N 6.944 128.099 121.223 -0.112 0.000 2.319 70 L HA 0.467 4.807 4.340 -0.000 0.000 0.280 70 L C -0.318 176.463 176.870 -0.149 0.000 1.099 70 L CA 0.514 55.269 54.840 -0.141 0.000 0.828 70 L CB 1.155 43.093 42.059 -0.201 0.000 1.150 70 L HN 0.441 nan 8.230 nan 0.000 0.442 71 V N 6.780 126.612 119.914 -0.136 0.000 2.378 71 V HA 0.415 4.535 4.120 -0.000 0.000 0.288 71 V C -0.182 175.828 176.094 -0.140 0.000 1.016 71 V CA -0.650 61.565 62.300 -0.142 0.000 0.840 71 V CB 1.488 33.250 31.823 -0.102 0.000 0.994 71 V HN 0.471 nan 8.190 nan 0.000 0.431 72 I N 5.883 126.347 120.570 -0.176 0.000 2.307 72 I HA 0.467 4.637 4.170 -0.000 0.000 0.287 72 I C -0.167 175.912 176.117 -0.065 0.000 1.054 72 I CA -0.281 60.938 61.300 -0.136 0.000 1.218 72 I CB 1.124 38.983 38.000 -0.235 0.000 1.398 72 I HN 0.396 nan 8.210 nan 0.000 0.475 73 V N 5.806 125.720 119.914 -0.001 0.000 2.709 73 V HA 1.026 5.146 4.120 -0.000 0.000 0.308 73 V C -0.116 176.040 176.094 0.103 0.000 1.062 73 V CA 0.175 62.495 62.300 0.034 0.000 0.901 73 V CB 1.793 33.647 31.823 0.051 0.000 1.003 73 V HN 0.976 nan 8.190 nan 0.000 0.425 74 G N 5.514 114.321 108.800 0.012 0.000 2.324 74 G HA2 0.347 4.306 3.960 -0.000 0.000 0.293 74 G HA3 0.347 4.306 3.960 -0.000 0.000 0.293 74 G C -3.549 171.175 174.900 -0.294 0.000 1.297 74 G CA -0.608 44.361 45.100 -0.218 0.000 0.853 74 G HN 0.646 nan 8.290 nan 0.000 0.535 75 P HA 0.179 nan 4.420 nan 0.000 0.269 75 P C 1.288 178.476 177.300 -0.186 0.000 1.217 75 P CA 0.042 62.990 63.100 -0.253 0.000 0.783 75 P CB 0.886 32.452 31.700 -0.222 0.000 0.898 76 C N 1.282 120.503 119.300 -0.132 0.000 2.425 76 C HA 0.004 4.463 4.460 -0.000 0.000 0.277 76 C C 0.822 175.790 174.990 -0.036 0.000 1.280 76 C CA 1.588 60.539 59.018 -0.111 0.000 1.744 76 C CB -1.524 26.187 27.740 -0.049 0.000 1.989 76 C HN 0.727 nan 8.230 nan 0.000 0.491 77 S N -0.883 114.853 115.700 0.060 0.000 2.537 77 S HA 0.657 5.127 4.470 -0.000 0.000 0.271 77 S C -1.308 173.428 174.600 0.227 0.000 1.148 77 S CA -0.682 57.640 58.200 0.203 0.000 0.868 77 S CB 0.834 64.232 63.200 0.330 0.000 1.115 77 S HN 0.170 nan 8.310 nan 0.000 0.461 78 I N 3.793 124.516 120.570 0.256 0.000 2.321 78 I HA 0.409 4.579 4.170 -0.000 0.000 0.291 78 I C 1.139 177.461 176.117 0.340 0.000 0.998 78 I CA -0.313 61.108 61.300 0.203 0.000 1.227 78 I CB 1.189 39.273 38.000 0.141 0.000 1.368 78 I HN 0.944 nan 8.210 nan 0.000 0.466 79 H N 2.655 121.815 119.070 0.150 0.000 3.058 79 H HA 0.349 4.905 4.556 -0.000 0.000 0.266 79 H C -0.789 174.560 175.328 0.035 0.000 1.135 79 H CA -0.268 55.862 56.048 0.136 0.000 1.174 79 H CB 0.641 30.294 29.762 -0.181 0.000 1.581 79 H HN 0.474 nan 8.280 nan 0.000 0.553 80 D N 0.823 120.954 120.400 -0.449 0.000 2.736 80 D HA 0.197 4.837 4.640 -0.000 0.000 0.243 80 D C 0.367 176.570 176.300 -0.161 0.000 1.304 80 D CA -0.590 53.197 54.000 -0.356 0.000 0.934 80 D CB 1.552 42.002 40.800 -0.584 0.000 1.382 80 D HN -0.042 nan 8.370 nan 0.000 0.571 81 L N 2.973 124.161 121.223 -0.057 0.000 2.291 81 L HA 0.086 4.426 4.340 -0.000 0.000 0.214 81 L C 2.041 178.915 176.870 0.007 0.000 1.120 81 L CA 1.038 55.875 54.840 -0.005 0.000 0.799 81 L CB -0.431 41.641 42.059 0.022 0.000 0.925 81 L HN 0.525 nan 8.230 nan 0.000 0.446 82 E N 0.090 120.296 120.200 0.010 0.000 2.015 82 E HA -0.142 4.208 4.350 -0.000 0.000 0.191 82 E C 2.303 178.970 176.600 0.111 0.000 0.991 82 E CA 1.451 57.897 56.400 0.076 0.000 0.802 82 E CB -0.225 29.550 29.700 0.126 0.000 0.759 82 E HN 0.317 nan 8.360 nan 0.000 0.447 83 A N 0.759 123.587 122.820 0.012 0.000 1.933 83 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 83 A C 2.410 179.952 177.584 -0.070 0.000 1.175 83 A CA 2.008 53.929 52.037 -0.192 0.000 0.628 83 A CB -1.000 17.630 19.000 -0.617 0.000 0.814 83 A HN 0.374 nan 8.150 nan 0.000 0.444 84 A N -1.014 121.771 122.820 -0.059 0.000 1.908 84 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 84 A C 2.145 179.767 177.584 0.064 0.000 1.181 84 A CA 2.143 54.180 52.037 0.000 0.000 0.627 84 A CB -0.479 18.521 19.000 -0.000 0.000 0.818 84 A HN 0.512 nan 8.150 nan 0.000 0.445 85 Q N -0.230 119.600 119.800 0.050 0.000 2.119 85 Q HA -0.135 4.205 4.340 -0.000 0.000 0.201 85 Q C 1.929 177.947 176.000 0.030 0.000 0.972 85 Q CA 1.990 57.820 55.803 0.045 0.000 0.847 85 Q CB -0.267 28.493 28.738 0.036 0.000 0.903 85 Q HN 0.800 nan 8.270 nan 0.000 0.433 86 E N -1.439 118.788 120.200 0.045 0.000 2.047 86 E HA -0.230 4.120 4.350 -0.000 0.000 0.191 86 E C 1.739 178.284 176.600 -0.092 0.000 0.987 86 E CA 0.970 57.368 56.400 -0.004 0.000 0.799 86 E CB -0.326 29.421 29.700 0.078 0.000 0.752 86 E HN 0.529 nan 8.360 nan 0.000 0.449 87 Y N 0.832 121.049 120.300 -0.138 0.000 2.097 87 Y HA -0.276 4.274 4.550 -0.000 0.000 0.282 87 Y C 2.210 178.009 175.900 -0.169 0.000 1.152 87 Y CA 2.182 60.173 58.100 -0.182 0.000 1.136 87 Y CB -0.570 37.846 38.460 -0.073 0.000 0.975 87 Y HN 0.172 nan 8.280 nan 0.000 0.498 88 A N 0.033 122.937 122.820 0.140 0.000 1.917 88 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 88 A C 2.110 179.658 177.584 -0.060 0.000 1.182 88 A CA 1.954 54.039 52.037 0.080 0.000 0.633 88 A CB -1.159 17.887 19.000 0.078 0.000 0.819 88 A HN 0.498 nan 8.150 nan 0.000 0.448 89 L N -0.301 120.861 121.223 -0.102 0.000 1.994 89 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 89 L C 2.650 179.389 176.870 -0.217 0.000 1.071 89 L CA 1.972 56.736 54.840 -0.128 0.000 0.745 89 L CB -1.062 40.928 42.059 -0.116 0.000 0.892 89 L HN 0.391 nan 8.230 nan 0.000 0.431 90 R N -1.217 119.030 120.500 -0.422 0.000 2.081 90 R HA -0.184 4.156 4.340 -0.000 0.000 0.235 90 R C 2.091 178.134 176.300 -0.427 0.000 1.131 90 R CA 1.273 56.980 56.100 -0.655 0.000 0.960 90 R CB -0.649 28.736 30.300 -1.526 0.000 0.856 90 R HN 0.208 nan 8.270 nan 0.000 0.436 91 L N 1.447 122.442 121.223 -0.380 0.000 2.141 91 L HA -0.127 4.212 4.340 -0.000 0.000 0.209 91 L C 2.154 179.043 176.870 0.032 0.000 1.094 91 L CA 1.745 56.586 54.840 0.003 0.000 0.763 91 L CB -0.321 41.758 42.059 0.033 0.000 0.908 91 L HN -0.091 nan 8.230 nan 0.000 0.437 92 K N 0.624 121.008 120.400 -0.027 0.000 2.001 92 K HA -0.203 4.116 4.320 -0.000 0.000 0.208 92 K C 2.038 178.639 176.600 0.001 0.000 1.048 92 K CA 2.088 58.371 56.287 -0.006 0.000 0.932 92 K CB -0.239 32.248 32.500 -0.020 0.000 0.715 92 K HN 0.433 nan 8.250 nan 0.000 0.437 93 K N 1.009 121.401 120.400 -0.014 0.000 2.097 93 K HA -0.096 4.224 4.320 -0.000 0.000 0.206 93 K C 2.010 178.630 176.600 0.034 0.000 1.049 93 K CA 1.440 57.729 56.287 0.002 0.000 0.933 93 K CB -0.883 31.609 32.500 -0.013 0.000 0.717 93 K HN 0.158 nan 8.250 nan 0.000 0.442 94 L N 1.132 122.400 121.223 0.075 0.000 2.046 94 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 94 L C 2.275 179.182 176.870 0.061 0.000 1.077 94 L CA 2.234 57.137 54.840 0.105 0.000 0.747 94 L CB -1.049 41.141 42.059 0.219 0.000 0.896 94 L HN 0.563 nan 8.230 nan 0.000 0.432 95 S N -0.043 115.691 115.700 0.057 0.000 2.365 95 S HA -0.231 4.239 4.470 -0.000 0.000 0.225 95 S C 1.602 176.213 174.600 0.018 0.000 1.039 95 S CA 1.832 60.051 58.200 0.033 0.000 1.033 95 S CB -0.242 62.976 63.200 0.030 0.000 0.887 95 S HN 0.529 nan 8.310 nan 0.000 0.447 96 D N 0.769 121.179 120.400 0.016 0.000 2.149 96 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 96 D C 1.978 178.283 176.300 0.009 0.000 0.990 96 D CA 1.353 55.358 54.000 0.009 0.000 0.839 96 D CB -0.510 40.294 40.800 0.006 0.000 0.948 96 D HN 0.732 nan 8.370 nan 0.000 0.460 97 E N 0.414 120.622 120.200 0.014 0.000 2.047 97 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 97 E C 1.716 178.320 176.600 0.007 0.000 0.987 97 E CA 0.594 57.001 56.400 0.012 0.000 0.799 97 E CB 0.011 29.723 29.700 0.019 0.000 0.752 97 E HN 0.235 nan 8.360 nan 0.000 0.449 98 L N 1.312 122.540 121.223 0.008 0.000 2.611 98 L HA 0.123 4.463 4.340 -0.000 0.000 0.229 98 L C 2.016 178.884 176.870 -0.003 0.000 1.137 98 L CA 0.038 54.879 54.840 0.000 0.000 0.901 98 L CB -0.155 41.903 42.059 -0.002 0.000 1.098 98 L HN 0.106 nan 8.230 nan 0.000 0.456 99 K N 0.430 120.829 120.400 -0.002 0.000 2.360 99 K HA -0.092 4.228 4.320 -0.000 0.000 0.201 99 K C 1.852 178.446 176.600 -0.009 0.000 1.046 99 K CA 1.354 57.637 56.287 -0.006 0.000 0.940 99 K CB -0.439 32.058 32.500 -0.004 0.000 0.748 99 K HN 0.222 nan 8.250 nan 0.000 0.465 100 G N 1.310 110.106 108.800 -0.007 0.000 2.448 100 G HA2 -0.162 3.797 3.960 -0.000 0.000 0.218 100 G HA3 -0.162 3.797 3.960 -0.000 0.000 0.218 100 G C 0.849 175.742 174.900 -0.011 0.000 1.135 100 G CA 0.803 45.898 45.100 -0.008 0.000 0.784 100 G HN 0.395 nan 8.290 nan 0.000 0.543 101 D N -0.804 119.589 120.400 -0.012 0.000 2.469 101 D HA 0.181 4.821 4.640 -0.000 0.000 0.240 101 D C 0.663 176.951 176.300 -0.019 0.000 1.087 101 D CA 0.064 54.056 54.000 -0.014 0.000 0.876 101 D CB 0.976 41.770 40.800 -0.011 0.000 1.160 101 D HN 0.212 nan 8.370 nan 0.000 0.497 102 L N 0.560 121.771 121.223 -0.020 0.000 2.362 102 L HA 0.386 4.725 4.340 -0.000 0.000 0.271 102 L C -0.245 176.608 176.870 -0.029 0.000 1.002 102 L CA -0.676 54.147 54.840 -0.028 0.000 0.818 102 L CB 2.634 44.678 42.059 -0.026 0.000 1.298 102 L HN -0.227 nan 8.230 nan 0.000 0.420 103 S N 3.701 119.376 115.700 -0.042 0.000 2.532 103 S HA 0.581 5.051 4.470 -0.000 0.000 0.318 103 S C -0.506 174.066 174.600 -0.048 0.000 1.083 103 S CA -0.505 57.670 58.200 -0.042 0.000 1.131 103 S CB -0.017 63.151 63.200 -0.053 0.000 0.973 103 S HN 0.412 nan 8.310 nan 0.000 0.468 104 I N 5.723 126.276 120.570 -0.028 0.000 2.353 104 I HA 0.459 4.629 4.170 -0.000 0.000 0.293 104 I C -0.228 175.882 176.117 -0.013 0.000 0.992 104 I CA -0.533 60.755 61.300 -0.020 0.000 1.268 104 I CB 1.330 39.336 38.000 0.009 0.000 1.387 104 I HN 0.486 nan 8.210 nan 0.000 0.478 105 I N 6.298 126.857 120.570 -0.019 0.000 2.498 105 I HA 0.359 4.529 4.170 -0.000 0.000 0.290 105 I C -0.248 175.888 176.117 0.032 0.000 1.032 105 I CA -0.642 60.654 61.300 -0.006 0.000 1.073 105 I CB 2.140 40.124 38.000 -0.026 0.000 1.251 105 I HN 0.559 nan 8.210 nan 0.000 0.426 106 M N 5.564 125.193 119.600 0.049 0.000 2.211 106 M HA 0.354 4.834 4.480 -0.000 0.000 0.356 106 M C -0.192 176.167 176.300 0.100 0.000 1.216 106 M CA -0.260 55.095 55.300 0.092 0.000 1.134 106 M CB 0.657 33.318 32.600 0.103 0.000 1.564 106 M HN 0.476 nan 8.290 nan 0.000 0.463 107 R N 3.488 124.056 120.500 0.115 0.000 2.296 107 R HA 0.339 4.679 4.340 -0.000 0.000 0.323 107 R C -0.636 175.782 176.300 0.197 0.000 1.067 107 R CA -0.044 56.188 56.100 0.219 0.000 0.946 107 R CB 0.403 30.701 30.300 -0.003 0.000 0.991 107 R HN 0.725 nan 8.270 nan 0.000 0.448 108 A N 4.794 127.789 122.820 0.292 0.000 3.204 108 A HA 0.220 4.540 4.320 -0.000 0.000 0.327 108 A C -1.144 176.654 177.584 0.357 0.000 0.998 108 A CA -0.579 51.588 52.037 0.217 0.000 0.891 108 A CB 0.255 19.266 19.000 0.019 0.000 1.061 108 A HN 0.578 nan 8.150 nan 0.000 0.478 109 Y N 0.770 121.129 120.300 0.098 0.000 2.496 109 Y HA 0.224 4.774 4.550 -0.000 0.000 0.334 109 Y C 1.024 176.974 175.900 0.084 0.000 1.080 109 Y CA -0.379 57.778 58.100 0.095 0.000 1.355 109 Y CB 0.802 39.302 38.460 0.067 0.000 1.193 109 Y HN 0.416 nan 8.280 nan 0.000 0.523 110 L N 2.143 123.431 121.223 0.108 0.000 2.556 110 L HA 0.195 4.535 4.340 -0.000 0.000 0.226 110 L C 0.165 176.970 176.870 -0.108 0.000 1.089 110 L CA 0.427 55.263 54.840 -0.007 0.000 0.864 110 L CB -0.180 41.827 42.059 -0.087 0.000 1.067 110 L HN 0.550 nan 8.230 nan 0.000 0.477 111 E N -0.042 120.112 120.200 -0.077 0.000 2.256 111 E HA 0.420 4.769 4.350 -0.000 0.000 0.268 111 E C -0.717 175.859 176.600 -0.040 0.000 0.877 111 E CA -0.753 55.579 56.400 -0.114 0.000 0.757 111 E CB 1.863 31.501 29.700 -0.103 0.000 1.183 111 E HN -0.218 nan 8.360 nan 0.000 0.418 112 K N 2.905 123.257 120.400 -0.080 0.000 2.376 112 K HA 0.392 4.712 4.320 -0.000 0.000 0.257 112 K C -2.587 174.002 176.600 -0.017 0.000 0.939 112 K CA -2.415 53.870 56.287 -0.003 0.000 0.809 112 K CB 1.763 34.274 32.500 0.019 0.000 1.121 112 K HN 0.363 nan 8.250 nan 0.000 0.425 113 P HA 0.259 nan 4.420 nan 0.000 0.287 113 P C -0.484 176.822 177.300 0.011 0.000 1.307 113 P CA -0.561 62.533 63.100 -0.009 0.000 0.777 113 P CB 0.793 32.478 31.700 -0.026 0.000 0.883 114 R N 2.252 122.758 120.500 0.011 0.000 2.528 114 R HA 0.283 4.623 4.340 -0.000 0.000 0.271 114 R C 1.447 177.759 176.300 0.021 0.000 1.056 114 R CA -0.432 55.685 56.100 0.028 0.000 1.117 114 R CB -0.633 29.687 30.300 0.033 0.000 1.085 114 R HN 0.380 nan 8.270 nan 0.000 0.530 115 T N 0.328 114.900 114.554 0.029 0.000 2.821 115 T HA -0.115 4.235 4.350 -0.000 0.000 0.267 115 T C 1.265 175.975 174.700 0.017 0.000 1.046 115 T CA 2.141 64.255 62.100 0.023 0.000 1.139 115 T CB 0.146 69.032 68.868 0.029 0.000 0.871 115 T HN 0.823 nan 8.240 nan 0.000 0.454 116 T N -1.110 113.457 114.554 0.021 0.000 3.444 116 T HA 0.431 4.780 4.350 -0.000 0.000 0.171 116 T C 0.206 174.917 174.700 0.020 0.000 0.918 116 T CA 0.176 62.285 62.100 0.017 0.000 0.974 116 T CB -0.035 68.844 68.868 0.018 0.000 1.239 116 T HN 0.222 nan 8.240 nan 0.000 0.300 117 V N -0.597 119.336 119.914 0.031 0.000 3.040 117 V HA 0.981 5.100 4.120 -0.000 0.000 0.312 117 V C -0.116 176.018 176.094 0.066 0.000 1.115 117 V CA -0.065 62.261 62.300 0.042 0.000 0.998 117 V CB 1.037 32.885 31.823 0.042 0.000 1.042 117 V HN 1.554 nan 8.190 nan 0.000 0.433 118 G N 0.503 109.359 108.800 0.093 0.000 2.321 118 G HA2 0.308 4.268 3.960 -0.000 0.000 0.298 118 G HA3 0.308 4.268 3.960 -0.000 0.000 0.298 118 G C -1.909 173.106 174.900 0.191 0.000 1.385 118 G CA -0.451 44.730 45.100 0.136 0.000 0.856 118 G HN 1.675 nan 8.290 nan 0.000 0.584 119 W N 1.763 123.085 121.300 0.036 0.000 2.505 119 W HA 0.408 5.068 4.660 -0.000 0.000 0.332 119 W C 1.213 177.760 176.519 0.046 0.000 1.434 119 W CA 0.232 57.597 57.345 0.034 0.000 1.320 119 W CB 0.609 30.063 29.460 -0.011 0.000 1.363 119 W HN 0.510 nan 8.180 nan 0.000 0.565 120 K N 4.791 124.967 120.400 -0.374 0.000 2.459 120 K HA 0.317 4.637 4.320 -0.000 0.000 0.193 120 K C 0.894 177.053 176.600 -0.735 0.000 1.030 120 K CA 0.657 56.708 56.287 -0.392 0.000 1.026 120 K CB 0.051 32.423 32.500 -0.214 0.000 0.809 120 K HN 0.710 nan 8.250 nan 0.000 0.504 121 G N 0.353 108.113 108.800 -1.735 0.000 2.343 121 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.465 121 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.465 121 G C -0.180 174.020 174.900 -1.167 0.000 1.282 121 G CA -0.644 43.390 45.100 -1.777 0.000 0.996 121 G HN -0.013 nan 8.290 nan 0.000 0.521 122 L N 0.400 121.399 121.223 -0.373 0.000 2.042 122 L HA 0.125 4.465 4.340 -0.000 0.000 0.210 122 L C 2.762 179.600 176.870 -0.054 0.000 1.076 122 L CA 2.549 57.415 54.840 0.042 0.000 0.749 122 L CB -0.686 41.435 42.059 0.103 0.000 0.893 122 L HN 0.624 nan 8.230 nan 0.000 0.432 123 I N -0.744 119.736 120.570 -0.149 0.000 2.163 123 I HA -0.294 3.876 4.170 -0.000 0.000 0.240 123 I C 2.411 178.460 176.117 -0.113 0.000 1.081 123 I CA 1.593 62.804 61.300 -0.147 0.000 1.353 123 I CB -0.578 37.307 38.000 -0.191 0.000 1.054 123 I HN 0.438 nan 8.210 nan 0.000 0.407 124 N N 0.228 118.840 118.700 -0.147 0.000 2.104 124 N HA -0.200 4.539 4.740 -0.000 0.000 0.190 124 N C 0.216 175.759 175.510 0.054 0.000 1.024 124 N CA 1.502 54.520 53.050 -0.055 0.000 0.853 124 N CB 0.224 38.646 38.487 -0.108 0.000 1.008 124 N HN 0.218 nan 8.380 nan 0.000 0.424 125 D N -1.176 119.212 120.400 -0.020 0.000 2.823 125 D HA 0.186 4.826 4.640 -0.000 0.000 0.255 125 D C -1.991 174.459 176.300 0.251 0.000 1.257 125 D CA -1.323 52.706 54.000 0.049 0.000 0.803 125 D CB 1.069 41.843 40.800 -0.043 0.000 1.384 125 D HN 0.075 nan 8.370 nan 0.000 0.541 126 P HA -0.093 nan 4.420 nan 0.000 0.218 126 P C 0.369 177.757 177.300 0.146 0.000 1.148 126 P CA 0.896 64.104 63.100 0.181 0.000 0.822 126 P CB 0.522 32.269 31.700 0.078 0.000 0.784 127 D N -0.418 120.025 120.400 0.072 0.000 2.328 127 D HA 0.050 4.689 4.640 -0.000 0.000 0.226 127 D C 0.591 176.876 176.300 -0.024 0.000 1.066 127 D CA -0.008 54.001 54.000 0.014 0.000 0.861 127 D CB -0.219 40.572 40.800 -0.016 0.000 0.912 127 D HN -0.090 nan 8.370 nan 0.000 0.521 128 V N 1.920 121.844 119.914 0.017 0.000 5.257 128 V HA -0.318 3.802 4.120 -0.000 0.000 0.265 128 V C 0.461 176.462 176.094 -0.155 0.000 0.646 128 V CA 1.356 63.570 62.300 -0.143 0.000 0.650 128 V CB -2.278 29.295 31.823 -0.416 0.000 0.424 128 V HN 0.462 nan 8.190 nan 0.000 0.862 129 N N -1.466 117.152 118.700 -0.136 0.000 2.217 129 N HA 0.159 4.899 4.740 -0.000 0.000 0.239 129 N C 0.189 175.588 175.510 -0.185 0.000 1.330 129 N CA 0.066 53.036 53.050 -0.134 0.000 0.838 129 N CB 0.161 38.591 38.487 -0.094 0.000 1.287 129 N HN 0.400 nan 8.380 nan 0.000 0.498 130 N N -0.314 118.168 118.700 -0.363 0.000 2.815 130 N HA -0.152 4.588 4.740 -0.000 0.000 0.249 130 N C 0.044 175.203 175.510 -0.586 0.000 1.114 130 N CA 1.408 54.072 53.050 -0.642 0.000 0.717 130 N CB -1.429 36.979 38.487 -0.132 0.000 1.074 130 N HN 0.728 nan 8.380 nan 0.000 0.555 131 T N -4.034 110.221 114.554 -0.500 0.000 3.014 131 T HA 0.183 4.532 4.350 -0.000 0.000 0.250 131 T C 0.730 175.420 174.700 -0.016 0.000 1.060 131 T CA 0.159 62.169 62.100 -0.149 0.000 1.040 131 T CB -0.231 68.596 68.868 -0.069 0.000 0.971 131 T HN 0.205 nan 8.240 nan 0.000 0.497 132 F N 1.879 121.851 119.950 0.036 0.000 2.943 132 F HA -0.139 4.388 4.527 -0.000 0.000 0.258 132 F C 0.377 176.176 175.800 -0.002 0.000 0.995 132 F CA -0.275 57.732 58.000 0.011 0.000 0.896 132 F CB -2.562 36.434 39.000 -0.006 0.000 0.821 132 F HN 0.277 nan 8.300 nan 0.000 0.828 133 N N 1.953 120.703 118.700 0.083 0.000 2.807 133 N HA 0.230 4.970 4.740 -0.000 0.000 0.259 133 N C 1.190 176.719 175.510 0.032 0.000 1.149 133 N CA 0.029 53.112 53.050 0.054 0.000 1.042 133 N CB 0.038 38.540 38.487 0.026 0.000 1.367 133 N HN 0.551 nan 8.380 nan 0.000 0.516 134 I N 1.103 121.693 120.570 0.034 0.000 2.361 134 I HA -0.258 3.912 4.170 -0.000 0.000 0.251 134 I C 1.849 177.924 176.117 -0.070 0.000 1.133 134 I CA 0.551 61.837 61.300 -0.024 0.000 1.413 134 I CB -0.045 37.937 38.000 -0.030 0.000 1.073 134 I HN 0.434 nan 8.210 nan 0.000 0.424 135 N N 1.090 119.767 118.700 -0.039 0.000 2.120 135 N HA -0.216 4.524 4.740 -0.000 0.000 0.188 135 N C 1.864 177.347 175.510 -0.045 0.000 1.024 135 N CA 1.266 54.290 53.050 -0.044 0.000 0.852 135 N CB -0.164 38.320 38.487 -0.004 0.000 1.003 135 N HN 0.390 nan 8.380 nan 0.000 0.424 136 K N 0.675 121.061 120.400 -0.023 0.000 2.097 136 K HA -0.055 4.264 4.320 -0.000 0.000 0.205 136 K C 2.017 178.597 176.600 -0.034 0.000 1.050 136 K CA 1.227 57.504 56.287 -0.017 0.000 0.938 136 K CB -0.269 32.231 32.500 -0.001 0.000 0.718 136 K HN 0.091 nan 8.250 nan 0.000 0.442 137 G N 1.550 110.322 108.800 -0.045 0.000 2.440 137 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.218 137 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.218 137 G C 1.473 176.301 174.900 -0.121 0.000 1.154 137 G CA 0.803 45.865 45.100 -0.064 0.000 0.767 137 G HN 0.223 nan 8.290 nan 0.000 0.552 138 L N -0.142 120.978 121.223 -0.171 0.000 2.083 138 L HA -0.115 4.225 4.340 -0.000 0.000 0.209 138 L C 3.184 179.966 176.870 -0.146 0.000 1.083 138 L CA 1.134 55.827 54.840 -0.244 0.000 0.752 138 L CB -0.415 41.406 42.059 -0.396 0.000 0.899 138 L HN 0.306 nan 8.230 nan 0.000 0.433 139 Q N -0.651 119.098 119.800 -0.083 0.000 2.046 139 Q HA -0.159 4.181 4.340 -0.000 0.000 0.200 139 Q C 2.441 178.417 176.000 -0.040 0.000 0.975 139 Q CA 1.789 57.569 55.803 -0.039 0.000 0.836 139 Q CB -0.154 28.576 28.738 -0.014 0.000 0.896 139 Q HN 0.407 nan 8.270 nan 0.000 0.428 140 S N 1.098 116.774 115.700 -0.040 0.000 2.359 140 S HA -0.220 4.250 4.470 -0.000 0.000 0.224 140 S C 2.139 176.711 174.600 -0.047 0.000 1.035 140 S CA 1.112 59.299 58.200 -0.022 0.000 1.018 140 S CB -0.479 62.719 63.200 -0.003 0.000 0.876 140 S HN 0.517 nan 8.310 nan 0.000 0.448 141 A N 1.771 124.518 122.820 -0.121 0.000 1.873 141 A HA -0.217 4.102 4.320 -0.000 0.000 0.218 141 A C 2.126 179.513 177.584 -0.329 0.000 1.193 141 A CA 2.022 53.901 52.037 -0.264 0.000 0.629 141 A CB -0.634 18.140 19.000 -0.376 0.000 0.826 141 A HN 0.453 nan 8.150 nan 0.000 0.447 142 R N -1.257 119.115 120.500 -0.213 0.000 2.075 142 R HA -0.166 4.174 4.340 -0.000 0.000 0.232 142 R C 2.442 178.762 176.300 0.033 0.000 1.126 142 R CA 1.686 57.727 56.100 -0.100 0.000 0.963 142 R CB -0.252 30.030 30.300 -0.031 0.000 0.858 142 R HN 0.551 nan 8.270 nan 0.000 0.435 143 Q N 0.717 120.531 119.800 0.023 0.000 2.124 143 Q HA -0.163 4.177 4.340 -0.000 0.000 0.202 143 Q C 1.919 177.975 176.000 0.093 0.000 0.977 143 Q CA 1.555 57.390 55.803 0.053 0.000 0.850 143 Q CB -0.357 28.401 28.738 0.033 0.000 0.901 143 Q HN 0.367 nan 8.270 nan 0.000 0.429 144 L N -0.564 120.724 121.223 0.108 0.000 1.989 144 L HA -0.123 4.217 4.340 -0.000 0.000 0.211 144 L C 1.866 178.909 176.870 0.289 0.000 1.071 144 L CA 1.833 56.778 54.840 0.176 0.000 0.749 144 L CB -0.864 41.315 42.059 0.199 0.000 0.890 144 L HN 0.215 nan 8.230 nan 0.000 0.431 145 F N -0.517 119.439 119.950 0.010 0.000 2.126 145 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 145 F C 2.491 178.296 175.800 0.009 0.000 1.096 145 F CA 1.545 59.548 58.000 0.006 0.000 1.255 145 F CB -1.297 37.703 39.000 -0.000 0.000 0.997 145 F HN -0.040 nan 8.300 nan 0.000 0.479 146 V N 0.067 120.105 119.914 0.207 0.000 2.358 146 V HA -0.276 3.844 4.120 -0.000 0.000 0.246 146 V C 2.168 178.307 176.094 0.075 0.000 1.047 146 V CA 1.805 64.172 62.300 0.112 0.000 1.035 146 V CB -0.765 31.112 31.823 0.090 0.000 0.658 146 V HN 0.252 nan 8.190 nan 0.000 0.452 147 N N 0.325 119.073 118.700 0.080 0.000 2.061 147 N HA -0.151 4.589 4.740 -0.000 0.000 0.193 147 N C 1.565 177.100 175.510 0.041 0.000 1.030 147 N CA 1.313 54.397 53.050 0.055 0.000 0.856 147 N CB -0.543 37.980 38.487 0.060 0.000 1.023 147 N HN 0.240 nan 8.380 nan 0.000 0.424 148 L N 0.789 122.037 121.223 0.042 0.000 1.988 148 L HA -0.095 4.245 4.340 -0.000 0.000 0.207 148 L C 2.529 179.395 176.870 -0.007 0.000 1.071 148 L CA 1.857 56.705 54.840 0.013 0.000 0.744 148 L CB -1.804 40.247 42.059 -0.015 0.000 0.893 148 L HN 0.362 nan 8.230 nan 0.000 0.433 149 T N -3.230 111.311 114.554 -0.022 0.000 2.881 149 T HA -0.191 4.159 4.350 -0.000 0.000 0.270 149 T C 1.722 176.421 174.700 -0.002 0.000 1.068 149 T CA 1.317 63.403 62.100 -0.025 0.000 1.131 149 T CB -0.684 68.164 68.868 -0.033 0.000 0.871 149 T HN 0.219 nan 8.240 nan 0.000 0.479 150 N N 1.977 120.683 118.700 0.011 0.000 2.443 150 N HA -0.033 4.707 4.740 -0.000 0.000 0.184 150 N C 1.500 177.015 175.510 0.008 0.000 1.037 150 N CA 1.024 54.083 53.050 0.014 0.000 0.896 150 N CB -0.619 37.881 38.487 0.022 0.000 0.959 150 N HN 0.835 nan 8.380 nan 0.000 0.442 151 I N -4.958 115.615 120.570 0.005 0.000 3.904 151 I HA 0.473 4.643 4.170 -0.000 0.000 0.333 151 I C 0.959 177.074 176.117 -0.002 0.000 1.361 151 I CA 0.195 61.496 61.300 0.001 0.000 1.116 151 I CB -0.074 37.925 38.000 -0.002 0.000 1.028 151 I HN 0.042 nan 8.210 nan 0.000 0.398 152 G N 2.078 110.876 108.800 -0.002 0.000 2.141 152 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.242 152 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.242 152 G C -0.346 174.550 174.900 -0.006 0.000 0.982 152 G CA 0.154 45.252 45.100 -0.004 0.000 0.662 152 G HN 0.389 nan 8.290 nan 0.000 0.527 153 L N 1.846 123.064 121.223 -0.009 0.000 2.262 153 L HA 0.679 5.019 4.340 -0.000 0.000 0.288 153 L C -2.066 174.786 176.870 -0.029 0.000 1.035 153 L CA -2.510 52.325 54.840 -0.008 0.000 0.820 153 L CB 1.060 43.123 42.059 0.006 0.000 1.204 153 L HN -0.123 nan 8.230 nan 0.000 0.424 154 P HA 0.275 nan 4.420 nan 0.000 0.272 154 P C -0.874 176.381 177.300 -0.076 0.000 1.223 154 P CA 0.008 63.075 63.100 -0.056 0.000 0.784 154 P CB 0.644 32.324 31.700 -0.034 0.000 0.923 155 I N -1.576 118.906 120.570 -0.147 0.000 3.002 155 I HA 0.938 5.107 4.170 -0.000 0.000 0.310 155 I C -0.313 175.706 176.117 -0.163 0.000 1.087 155 I CA -1.086 60.101 61.300 -0.188 0.000 1.017 155 I CB 2.559 40.311 38.000 -0.414 0.000 1.226 155 I HN 0.354 nan 8.210 nan 0.000 0.443 156 G N 0.991 109.764 108.800 -0.046 0.000 2.619 156 G HA2 0.654 4.614 3.960 -0.000 0.000 0.296 156 G HA3 0.654 4.614 3.960 -0.000 0.000 0.296 156 G C -1.757 173.111 174.900 -0.054 0.000 1.334 156 G CA -0.584 44.561 45.100 0.076 0.000 0.934 156 G HN 0.796 nan 8.290 nan 0.000 0.476 157 S N -0.973 114.522 115.700 -0.341 0.000 2.625 157 S HA 0.513 4.983 4.470 -0.000 0.000 0.271 157 S C -1.449 172.594 174.600 -0.928 0.000 1.161 157 S CA -0.645 57.090 58.200 -0.776 0.000 0.820 157 S CB 1.923 64.953 63.200 -0.283 0.000 1.137 157 S HN 0.682 nan 8.310 nan 0.000 0.470 158 E N 2.182 121.696 120.200 -1.143 0.000 2.229 158 E HA 0.232 4.582 4.350 -0.000 0.000 0.283 158 E C -0.501 175.921 176.600 -0.297 0.000 1.030 158 E CA -0.488 55.592 56.400 -0.533 0.000 0.836 158 E CB 0.489 30.052 29.700 -0.229 0.000 1.068 158 E HN 0.529 nan 8.360 nan 0.000 0.401 159 M N 6.670 126.140 119.600 -0.215 0.000 2.974 159 M HA 0.049 4.529 4.480 -0.000 0.000 0.301 159 M C 0.489 176.792 176.300 0.005 0.000 1.409 159 M CA -0.002 55.238 55.300 -0.099 0.000 1.515 159 M CB -0.055 32.493 32.600 -0.086 0.000 1.163 159 M HN 0.601 nan 8.290 nan 0.000 0.520 160 L N 1.375 122.599 121.223 0.002 0.000 2.130 160 L HA 0.238 4.577 4.340 -0.000 0.000 0.200 160 L C 0.724 177.683 176.870 0.148 0.000 1.075 160 L CA 1.637 56.538 54.840 0.102 0.000 0.768 160 L CB -0.107 41.956 42.059 0.007 0.000 0.933 160 L HN 0.425 nan 8.230 nan 0.000 0.451 161 D N -0.838 119.571 120.400 0.015 0.000 2.350 161 D HA 0.060 4.700 4.640 -0.000 0.000 0.249 161 D C 0.932 177.193 176.300 -0.065 0.000 1.119 161 D CA 0.709 54.695 54.000 -0.022 0.000 0.886 161 D CB 1.638 42.414 40.800 -0.041 0.000 1.195 161 D HN 0.390 nan 8.370 nan 0.000 0.437 162 T N 0.801 115.291 114.554 -0.106 0.000 3.100 162 T HA 0.107 4.457 4.350 -0.000 0.000 0.253 162 T C 1.931 176.611 174.700 -0.032 0.000 1.118 162 T CA 0.215 62.236 62.100 -0.131 0.000 1.058 162 T CB 0.030 68.776 68.868 -0.203 0.000 0.953 162 T HN 0.434 nan 8.240 nan 0.000 0.515 163 I N 1.899 122.474 120.570 0.008 0.000 2.810 163 I HA -0.023 4.147 4.170 -0.000 0.000 0.262 163 I C 2.872 179.082 176.117 0.154 0.000 1.131 163 I CA 0.816 62.162 61.300 0.077 0.000 1.453 163 I CB -0.224 37.833 38.000 0.096 0.000 1.161 163 I HN 0.327 nan 8.210 nan 0.000 0.444 164 S N 1.838 117.598 115.700 0.100 0.000 2.392 164 S HA -0.121 4.348 4.470 -0.000 0.000 0.232 164 S C -0.435 174.266 174.600 0.168 0.000 1.041 164 S CA 1.118 59.385 58.200 0.112 0.000 1.026 164 S CB -2.012 61.155 63.200 -0.055 0.000 0.845 164 S HN 0.216 nan 8.310 nan 0.000 0.465 165 P HA -0.111 nan 4.420 nan 0.000 0.217 165 P C 1.651 179.016 177.300 0.107 0.000 1.148 165 P CA 1.283 64.445 63.100 0.104 0.000 0.828 165 P CB -0.179 31.568 31.700 0.078 0.000 0.783 166 Q N -1.838 118.007 119.800 0.076 0.000 2.234 166 Q HA -0.170 4.170 4.340 -0.000 0.000 0.206 166 Q C 1.740 177.682 176.000 -0.097 0.000 0.980 166 Q CA 1.570 57.344 55.803 -0.049 0.000 0.869 166 Q CB -0.731 27.910 28.738 -0.162 0.000 0.912 166 Q HN 0.487 nan 8.270 nan 0.000 0.436 167 Y N -0.916 119.366 120.300 -0.031 0.000 2.517 167 Y HA 0.038 4.588 4.550 -0.000 0.000 0.281 167 Y C 1.747 177.621 175.900 -0.043 0.000 1.125 167 Y CA 0.550 58.623 58.100 -0.045 0.000 1.283 167 Y CB 0.441 38.857 38.460 -0.073 0.000 1.042 167 Y HN -0.013 nan 8.280 nan 0.000 0.547 168 L N -2.719 118.580 121.223 0.128 0.000 3.284 168 L HA 0.373 4.713 4.340 -0.000 0.000 0.294 168 L C 2.151 179.142 176.870 0.202 0.000 1.183 168 L CA 0.457 55.369 54.840 0.119 0.000 1.056 168 L CB -0.354 41.676 42.059 -0.048 0.000 1.513 168 L HN -0.080 nan 8.230 nan 0.000 0.601 169 A N 1.652 124.583 122.820 0.186 0.000 2.009 169 A HA -0.297 4.023 4.320 -0.000 0.000 0.222 169 A C 1.930 179.651 177.584 0.229 0.000 1.175 169 A CA 2.398 54.591 52.037 0.260 0.000 0.651 169 A CB -0.646 18.507 19.000 0.254 0.000 0.815 169 A HN 0.650 nan 8.150 nan 0.000 0.459 170 D N -0.115 120.379 120.400 0.157 0.000 2.310 170 D HA -0.099 4.541 4.640 -0.000 0.000 0.212 170 D C 1.402 177.763 176.300 0.102 0.000 0.965 170 D CA 1.014 55.088 54.000 0.123 0.000 0.879 170 D CB -0.400 40.451 40.800 0.085 0.000 0.921 170 D HN 0.543 nan 8.370 nan 0.000 0.510 171 L N 0.231 121.523 121.223 0.114 0.000 2.693 171 L HA 0.194 4.533 4.340 -0.000 0.000 0.235 171 L C 0.294 177.114 176.870 -0.085 0.000 1.127 171 L CA -0.213 54.664 54.840 0.062 0.000 0.914 171 L CB 0.905 43.067 42.059 0.171 0.000 1.193 171 L HN -0.200 nan 8.230 nan 0.000 0.502 172 V N -0.466 119.362 119.914 -0.143 0.000 2.439 172 V HA 0.184 4.304 4.120 -0.000 0.000 0.282 172 V C 0.911 176.672 176.094 -0.554 0.000 1.039 172 V CA 0.078 62.114 62.300 -0.440 0.000 0.913 172 V CB 1.641 33.086 31.823 -0.630 0.000 0.983 172 V HN 0.123 nan 8.190 nan 0.000 0.460 173 S N 3.301 118.757 115.700 -0.406 0.000 2.511 173 S HA 0.315 4.784 4.470 -0.000 0.000 0.214 173 S C -0.189 174.367 174.600 -0.073 0.000 0.997 173 S CA 0.116 58.210 58.200 -0.178 0.000 0.908 173 S CB 0.170 63.340 63.200 -0.049 0.000 0.803 173 S HN 0.651 nan 8.310 nan 0.000 0.504 174 F N 0.753 120.455 119.950 -0.413 0.000 2.608 174 F HA 0.664 5.191 4.527 -0.000 0.000 0.309 174 F C -0.685 174.983 175.800 -0.220 0.000 1.103 174 F CA -0.699 57.217 58.000 -0.140 0.000 0.954 174 F CB 0.954 39.955 39.000 0.001 0.000 1.267 174 F HN -0.061 nan 8.300 nan 0.000 0.444 175 G N 2.920 111.141 108.800 -0.965 0.000 2.566 175 G HA2 0.751 4.711 3.960 -0.000 0.000 0.311 175 G HA3 0.751 4.711 3.960 -0.000 0.000 0.311 175 G C -1.980 172.149 174.900 -1.285 0.000 1.322 175 G CA -0.595 44.009 45.100 -0.827 0.000 0.969 175 G HN 1.020 nan 8.290 nan 0.000 0.490 176 A N 2.145 124.405 122.820 -0.932 0.000 2.350 176 A HA 0.770 5.089 4.320 -0.000 0.000 0.324 176 A C -0.564 176.791 177.584 -0.382 0.000 1.118 176 A CA -0.630 51.072 52.037 -0.557 0.000 0.783 176 A CB 1.058 19.987 19.000 -0.119 0.000 1.236 176 A HN 0.552 nan 8.150 nan 0.000 0.457 177 I N 2.624 122.950 120.570 -0.407 0.000 2.339 177 I HA 0.318 4.488 4.170 -0.000 0.000 0.290 177 I C 1.153 177.175 176.117 -0.159 0.000 0.994 177 I CA -0.113 61.000 61.300 -0.311 0.000 1.191 177 I CB 0.606 38.313 38.000 -0.489 0.000 1.343 177 I HN 0.792 nan 8.210 nan 0.000 0.458 178 G N 3.981 112.703 108.800 -0.130 0.000 2.664 178 G HA2 0.274 4.234 3.960 -0.000 0.000 0.242 178 G HA3 0.274 4.234 3.960 -0.000 0.000 0.242 178 G C 0.985 175.844 174.900 -0.068 0.000 1.225 178 G CA 0.202 45.246 45.100 -0.094 0.000 0.849 178 G HN 0.789 nan 8.290 nan 0.000 0.581 179 A N 0.804 123.592 122.820 -0.054 0.000 1.972 179 A HA -0.076 4.244 4.320 -0.000 0.000 0.219 179 A C 2.339 179.901 177.584 -0.036 0.000 1.169 179 A CA 1.315 53.338 52.037 -0.024 0.000 0.635 179 A CB -0.189 18.800 19.000 -0.019 0.000 0.810 179 A HN 0.669 nan 8.150 nan 0.000 0.446 180 R N -0.695 119.767 120.500 -0.063 0.000 2.299 180 R HA 0.015 4.355 4.340 -0.000 0.000 0.197 180 R C 0.978 177.207 176.300 -0.119 0.000 0.971 180 R CA 1.278 57.336 56.100 -0.071 0.000 1.030 180 R CB -0.049 30.213 30.300 -0.063 0.000 0.932 180 R HN 0.669 nan 8.270 nan 0.000 0.477 181 T N -5.238 109.211 114.554 -0.175 0.000 3.058 181 T HA 0.108 4.458 4.350 -0.000 0.000 0.278 181 T C 1.455 176.063 174.700 -0.153 0.000 0.974 181 T CA -0.234 61.680 62.100 -0.311 0.000 0.893 181 T CB 0.595 68.975 68.868 -0.814 0.000 1.138 181 T HN -0.173 nan 8.240 nan 0.000 0.529 182 T N 2.675 117.220 114.554 -0.015 0.000 2.759 182 T HA -0.081 4.269 4.350 -0.000 0.000 0.269 182 T C 1.655 176.380 174.700 0.042 0.000 1.042 182 T CA 1.529 63.714 62.100 0.141 0.000 1.140 182 T CB -0.225 68.725 68.868 0.138 0.000 0.864 182 T HN 0.525 nan 8.240 nan 0.000 0.455 183 E N 0.769 120.965 120.200 -0.008 0.000 2.358 183 E HA 0.058 4.407 4.350 -0.000 0.000 0.195 183 E C 0.871 177.463 176.600 -0.014 0.000 1.010 183 E CA -0.166 56.219 56.400 -0.025 0.000 0.856 183 E CB 0.138 29.824 29.700 -0.024 0.000 0.795 183 E HN 0.203 nan 8.360 nan 0.000 0.504 184 S N 0.800 116.502 115.700 0.003 0.000 2.516 184 S HA -0.054 4.416 4.470 -0.000 0.000 0.282 184 S C 0.897 175.525 174.600 0.045 0.000 1.286 184 S CA -0.131 58.094 58.200 0.043 0.000 1.066 184 S CB 1.181 64.448 63.200 0.112 0.000 0.884 184 S HN 0.219 nan 8.310 nan 0.000 0.491 185 Q N 4.047 123.843 119.800 -0.006 0.000 2.167 185 Q HA -0.042 4.297 4.340 -0.000 0.000 0.202 185 Q C 1.608 177.519 176.000 -0.147 0.000 0.970 185 Q CA 1.335 57.096 55.803 -0.069 0.000 0.855 185 Q CB -0.121 28.580 28.738 -0.061 0.000 0.911 185 Q HN 0.907 nan 8.270 nan 0.000 0.438 186 L N -0.654 120.499 121.223 -0.117 0.000 2.083 186 L HA -0.183 4.156 4.340 -0.000 0.000 0.209 186 L C 1.849 178.505 176.870 -0.357 0.000 1.083 186 L CA 1.278 55.951 54.840 -0.278 0.000 0.752 186 L CB -0.502 41.422 42.059 -0.226 0.000 0.899 186 L HN 0.339 nan 8.230 nan 0.000 0.433 187 H N -0.666 118.317 119.070 -0.145 0.000 2.512 187 H HA 0.031 4.587 4.556 -0.000 0.000 0.279 187 H C 2.291 177.609 175.328 -0.016 0.000 0.999 187 H CA 0.664 56.661 56.048 -0.085 0.000 1.283 187 H CB 0.126 29.875 29.762 -0.022 0.000 1.421 187 H HN 0.155 nan 8.280 nan 0.000 0.554 188 R N 0.355 120.886 120.500 0.052 0.000 2.119 188 R HA -0.031 4.309 4.340 -0.000 0.000 0.222 188 R C 1.684 177.862 176.300 -0.203 0.000 1.088 188 R CA 1.022 57.142 56.100 0.032 0.000 0.984 188 R CB 0.131 30.380 30.300 -0.085 0.000 0.884 188 R HN 0.484 nan 8.270 nan 0.000 0.447 189 E N 0.757 120.687 120.200 -0.450 0.000 2.107 189 E HA -0.177 4.172 4.350 -0.000 0.000 0.191 189 E C 1.892 178.255 176.600 -0.394 0.000 0.982 189 E CA 0.752 56.752 56.400 -0.666 0.000 0.809 189 E CB -0.062 28.998 29.700 -1.065 0.000 0.756 189 E HN 0.090 nan 8.360 nan 0.000 0.459 190 L N 1.340 122.332 121.223 -0.385 0.000 2.017 190 L HA -0.143 4.196 4.340 -0.000 0.000 0.208 190 L C 2.296 179.110 176.870 -0.093 0.000 1.073 190 L CA 2.060 56.772 54.840 -0.213 0.000 0.745 190 L CB -0.622 41.282 42.059 -0.258 0.000 0.894 190 L HN 0.043 nan 8.230 nan 0.000 0.432 191 A N -0.745 122.035 122.820 -0.067 0.000 1.908 191 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 191 A C 2.451 180.034 177.584 -0.002 0.000 1.181 191 A CA 2.131 54.144 52.037 -0.040 0.000 0.627 191 A CB -1.287 17.771 19.000 0.096 0.000 0.818 191 A HN 0.696 nan 8.150 nan 0.000 0.445 192 S N -1.054 114.687 115.700 0.068 0.000 2.493 192 S HA 0.098 4.568 4.470 -0.000 0.000 0.243 192 S C 1.439 176.089 174.600 0.084 0.000 0.991 192 S CA 1.287 59.569 58.200 0.136 0.000 0.957 192 S CB -0.461 62.950 63.200 0.353 0.000 0.756 192 S HN 0.806 nan 8.310 nan 0.000 0.521 193 G N 0.204 109.032 108.800 0.046 0.000 3.377 193 G HA2 0.449 4.409 3.960 -0.000 0.000 0.257 193 G HA3 0.449 4.409 3.960 -0.000 0.000 0.257 193 G C 0.047 174.885 174.900 -0.103 0.000 1.038 193 G CA -0.517 44.586 45.100 0.006 0.000 0.809 193 G HN 0.430 nan 8.290 nan 0.000 0.526 194 L N 1.339 122.430 121.223 -0.220 0.000 2.326 194 L HA 0.261 4.601 4.340 -0.000 0.000 0.278 194 L C 0.757 177.287 176.870 -0.566 0.000 1.092 194 L CA -0.422 54.112 54.840 -0.511 0.000 0.810 194 L CB 1.789 43.363 42.059 -0.809 0.000 1.153 194 L HN -0.060 nan 8.230 nan 0.000 0.439 195 S N 3.431 118.809 115.700 -0.537 0.000 2.871 195 S HA 0.263 4.733 4.470 -0.000 0.000 0.254 195 S C -0.493 174.069 174.600 -0.063 0.000 1.088 195 S CA -0.168 57.906 58.200 -0.211 0.000 1.166 195 S CB -0.897 62.297 63.200 -0.011 0.000 0.826 195 S HN 0.454 nan 8.310 nan 0.000 0.471 196 F N -2.451 117.555 119.950 0.093 0.000 2.741 196 F HA 0.624 5.151 4.527 -0.000 0.000 0.313 196 F C -3.497 172.402 175.800 0.165 0.000 1.153 196 F CA -3.253 54.820 58.000 0.122 0.000 0.931 196 F CB -0.118 38.933 39.000 0.085 0.000 1.335 196 F HN -0.315 nan 8.300 nan 0.000 0.460 197 P HA 0.287 nan 4.420 nan 0.000 0.266 197 P C -1.058 176.539 177.300 0.495 0.000 1.195 197 P CA -0.120 63.297 63.100 0.529 0.000 0.768 197 P CB 0.993 33.032 31.700 0.565 0.000 0.838 198 V N 3.057 123.149 119.914 0.295 0.000 2.483 198 V HA 0.602 4.721 4.120 -0.000 0.000 0.297 198 V C 0.539 176.381 176.094 -0.420 0.000 1.027 198 V CA -0.512 61.719 62.300 -0.115 0.000 0.855 198 V CB 1.897 33.565 31.823 -0.259 0.000 0.995 198 V HN 0.690 nan 8.190 nan 0.000 0.424 199 G N 3.537 111.976 108.800 -0.602 0.000 2.335 199 G HA2 0.639 4.599 3.960 -0.000 0.000 0.314 199 G HA3 0.639 4.599 3.960 -0.000 0.000 0.314 199 G C -1.066 173.519 174.900 -0.525 0.000 1.129 199 G CA -0.283 44.272 45.100 -0.908 0.000 0.912 199 G HN 0.415 nan 8.290 nan 0.000 0.443 200 F N 2.477 122.269 119.950 -0.264 0.000 2.410 200 F HA 0.370 4.897 4.527 -0.000 0.000 0.349 200 F C 0.972 176.727 175.800 -0.075 0.000 1.117 200 F CA -0.742 57.183 58.000 -0.124 0.000 1.104 200 F CB 1.685 40.636 39.000 -0.081 0.000 1.122 200 F HN 0.048 nan 8.300 nan 0.000 0.483 201 K N 3.461 123.921 120.400 0.101 0.000 2.202 201 K HA 0.139 4.459 4.320 -0.000 0.000 0.264 201 K C 0.207 176.862 176.600 0.091 0.000 1.010 201 K CA -0.456 55.877 56.287 0.076 0.000 0.940 201 K CB 0.665 33.180 32.500 0.026 0.000 0.983 201 K HN 0.755 nan 8.250 nan 0.000 0.475 202 N N -0.414 118.334 118.700 0.079 0.000 2.317 202 N HA 0.044 4.784 4.740 -0.000 0.000 0.245 202 N C 0.447 175.983 175.510 0.045 0.000 1.294 202 N CA -0.459 52.629 53.050 0.063 0.000 0.924 202 N CB 0.255 38.780 38.487 0.064 0.000 1.186 202 N HN 0.444 nan 8.380 nan 0.000 0.495 203 G N -1.161 107.658 108.800 0.032 0.000 2.614 203 G HA2 0.071 4.031 3.960 -0.000 0.000 0.239 203 G HA3 0.071 4.031 3.960 -0.000 0.000 0.239 203 G C 1.206 176.121 174.900 0.025 0.000 1.240 203 G CA 0.006 45.118 45.100 0.021 0.000 0.842 203 G HN 0.730 nan 8.290 nan 0.000 0.584 204 T N -1.978 112.587 114.554 0.018 0.000 3.163 204 T HA -0.083 4.267 4.350 -0.000 0.000 0.260 204 T C 1.133 175.850 174.700 0.027 0.000 1.156 204 T CA 1.212 63.327 62.100 0.025 0.000 1.072 204 T CB -0.006 68.873 68.868 0.018 0.000 0.937 204 T HN 0.564 nan 8.240 nan 0.000 0.528 205 D N 0.442 120.855 120.400 0.022 0.000 2.395 205 D HA 0.241 4.881 4.640 -0.000 0.000 0.226 205 D C 1.580 177.894 176.300 0.023 0.000 1.146 205 D CA 0.122 54.134 54.000 0.020 0.000 0.830 205 D CB -0.619 40.189 40.800 0.014 0.000 0.958 205 D HN 0.443 nan 8.370 nan 0.000 0.501 206 G N 0.861 109.680 108.800 0.031 0.000 2.257 206 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.267 206 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.267 206 G C 0.625 175.543 174.900 0.030 0.000 0.984 206 G CA 0.968 46.089 45.100 0.035 0.000 0.626 206 G HN 0.833 nan 8.290 nan 0.000 0.540 207 T N -1.532 113.037 114.554 0.024 0.000 2.919 207 T HA 0.567 4.917 4.350 -0.000 0.000 0.302 207 T C 1.264 175.980 174.700 0.026 0.000 1.031 207 T CA 0.221 62.333 62.100 0.020 0.000 1.127 207 T CB 1.815 70.691 68.868 0.013 0.000 0.952 207 T HN 0.656 nan 8.240 nan 0.000 0.540 208 L N 2.457 123.696 121.223 0.026 0.000 2.463 208 L HA 0.202 4.542 4.340 -0.000 0.000 0.219 208 L C 2.141 179.022 176.870 0.019 0.000 1.088 208 L CA 0.821 55.681 54.840 0.033 0.000 0.849 208 L CB -0.626 41.457 42.059 0.040 0.000 1.012 208 L HN 0.726 nan 8.230 nan 0.000 0.468 209 N N 0.491 119.197 118.700 0.010 0.000 2.049 209 N HA -0.242 4.497 4.740 -0.000 0.000 0.198 209 N C 1.929 177.427 175.510 -0.020 0.000 1.030 209 N CA 2.262 55.311 53.050 -0.002 0.000 0.870 209 N CB -1.278 37.208 38.487 -0.002 0.000 1.045 209 N HN 0.461 nan 8.380 nan 0.000 0.434 210 V N -0.809 119.092 119.914 -0.021 0.000 2.392 210 V HA -0.073 4.047 4.120 -0.000 0.000 0.249 210 V C 2.489 178.532 176.094 -0.085 0.000 1.059 210 V CA 1.960 64.233 62.300 -0.045 0.000 1.051 210 V CB -1.276 30.530 31.823 -0.027 0.000 0.658 210 V HN 0.310 nan 8.190 nan 0.000 0.455 211 A N 0.227 123.020 122.820 -0.045 0.000 1.930 211 A HA -0.020 4.299 4.320 -0.000 0.000 0.217 211 A C 2.350 179.868 177.584 -0.111 0.000 1.175 211 A CA 1.960 53.968 52.037 -0.049 0.000 0.627 211 A CB -0.744 18.293 19.000 0.061 0.000 0.815 211 A HN 0.482 nan 8.150 nan 0.000 0.443 212 V N 0.573 120.454 119.914 -0.055 0.000 2.358 212 V HA -0.208 3.912 4.120 -0.000 0.000 0.246 212 V C 2.112 178.152 176.094 -0.090 0.000 1.047 212 V CA 2.129 64.404 62.300 -0.041 0.000 1.035 212 V CB -0.768 31.053 31.823 -0.004 0.000 0.658 212 V HN 0.477 nan 8.190 nan 0.000 0.452 213 D N 0.629 120.968 120.400 -0.101 0.000 2.117 213 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 213 D C 2.253 178.438 176.300 -0.192 0.000 0.987 213 D CA 1.689 55.627 54.000 -0.103 0.000 0.829 213 D CB -0.291 40.460 40.800 -0.081 0.000 0.961 213 D HN 0.435 nan 8.370 nan 0.000 0.460 214 A N 0.616 123.211 122.820 -0.375 0.000 1.883 214 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 214 A C 2.611 179.747 177.584 -0.747 0.000 1.186 214 A CA 1.496 53.080 52.037 -0.755 0.000 0.624 214 A CB -1.029 17.095 19.000 -1.460 0.000 0.822 214 A HN 0.352 nan 8.150 nan 0.000 0.444 215 C N -0.771 118.206 119.300 -0.538 0.000 2.413 215 C HA -0.134 4.325 4.460 -0.000 0.000 0.276 215 C C 2.956 177.912 174.990 -0.057 0.000 1.236 215 C CA 1.208 60.135 59.018 -0.153 0.000 1.735 215 C CB -1.174 26.572 27.740 0.010 0.000 2.031 215 C HN 0.628 nan 8.230 nan 0.000 0.474 216 Q N 1.152 120.919 119.800 -0.055 0.000 2.030 216 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 216 Q C 2.541 178.601 176.000 0.101 0.000 0.986 216 Q CA 2.196 58.005 55.803 0.010 0.000 0.843 216 Q CB -1.276 27.485 28.738 0.038 0.000 0.904 216 Q HN 0.709 nan 8.270 nan 0.000 0.420 217 A N 1.481 124.361 122.820 0.101 0.000 1.873 217 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 217 A C 2.393 180.166 177.584 0.316 0.000 1.193 217 A CA 2.584 54.763 52.037 0.236 0.000 0.629 217 A CB -1.056 17.991 19.000 0.079 0.000 0.826 217 A HN 0.409 nan 8.150 nan 0.000 0.447 218 A N -0.446 122.457 122.820 0.139 0.000 2.032 218 A HA 0.103 4.422 4.320 -0.000 0.000 0.221 218 A C 2.333 180.019 177.584 0.170 0.000 1.165 218 A CA 2.097 54.251 52.037 0.195 0.000 0.645 218 A CB -0.851 18.304 19.000 0.258 0.000 0.807 218 A HN 1.203 nan 8.150 nan 0.000 0.453 219 A N -1.374 121.485 122.820 0.065 0.000 2.119 219 A HA 0.062 4.382 4.320 -0.000 0.000 0.217 219 A C 1.102 178.595 177.584 -0.153 0.000 1.153 219 A CA 0.236 52.230 52.037 -0.072 0.000 0.692 219 A CB -0.424 18.474 19.000 -0.170 0.000 0.799 219 A HN 0.634 nan 8.150 nan 0.000 0.458 220 H N -0.452 118.647 119.070 0.049 0.000 2.495 220 H HA 0.350 4.906 4.556 -0.000 0.000 0.350 220 H C 0.118 175.348 175.328 -0.163 0.000 1.202 220 H CA 0.051 56.050 56.048 -0.081 0.000 1.322 220 H CB 1.193 30.855 29.762 -0.166 0.000 1.544 220 H HN 0.242 nan 8.280 nan 0.000 0.565 221 S N 1.205 116.860 115.700 -0.075 0.000 2.565 221 S HA 0.167 4.636 4.470 -0.000 0.000 0.274 221 S C -0.563 173.854 174.600 -0.305 0.000 1.309 221 S CA -0.449 57.687 58.200 -0.108 0.000 1.043 221 S CB 0.126 63.287 63.200 -0.066 0.000 0.939 221 S HN 0.512 nan 8.310 nan 0.000 0.504 222 H N 2.301 121.408 119.070 0.062 0.000 2.865 222 H HA 0.408 4.964 4.556 -0.000 0.000 0.372 222 H C -0.843 174.462 175.328 -0.038 0.000 1.173 222 H CA -0.624 55.521 56.048 0.162 0.000 1.147 222 H CB 1.554 31.531 29.762 0.359 0.000 1.805 222 H HN 0.697 nan 8.280 nan 0.000 0.553 223 H N 2.254 121.470 119.070 0.244 0.000 2.589 223 H HA 0.292 4.848 4.556 -0.000 0.000 0.335 223 H C -0.853 174.561 175.328 0.143 0.000 1.019 223 H CA -0.378 55.681 56.048 0.019 0.000 1.213 223 H CB 1.317 31.088 29.762 0.016 0.000 1.472 223 H HN 0.486 nan 8.280 nan 0.000 0.508 224 F N -0.355 119.666 119.950 0.118 0.000 2.770 224 F HA 0.399 4.926 4.527 -0.000 0.000 0.313 224 F C -1.416 174.405 175.800 0.036 0.000 1.154 224 F CA -1.310 56.730 58.000 0.068 0.000 0.923 224 F CB 0.888 39.911 39.000 0.039 0.000 1.301 224 F HN 0.185 nan 8.300 nan 0.000 0.449 225 M N 1.972 121.720 119.600 0.246 0.000 2.200 225 M HA 0.603 5.082 4.480 -0.000 0.000 0.355 225 M C 0.287 176.724 176.300 0.229 0.000 1.283 225 M CA 0.377 55.762 55.300 0.142 0.000 1.124 225 M CB 0.775 33.437 32.600 0.104 0.000 1.625 225 M HN 0.961 nan 8.290 nan 0.000 0.463 226 G N 1.614 110.485 108.800 0.119 0.000 2.684 226 G HA2 0.612 4.571 3.960 -0.000 0.000 0.290 226 G HA3 0.612 4.571 3.960 -0.000 0.000 0.290 226 G C -1.628 173.304 174.900 0.053 0.000 1.425 226 G CA -0.650 44.530 45.100 0.134 0.000 0.822 226 G HN 0.503 nan 8.290 nan 0.000 0.482 227 V N 1.027 120.968 119.914 0.044 0.000 2.509 227 V HA 0.565 4.685 4.120 -0.000 0.000 0.284 227 V C 1.119 177.197 176.094 -0.027 0.000 1.047 227 V CA -0.065 62.243 62.300 0.014 0.000 0.952 227 V CB 1.115 32.955 31.823 0.028 0.000 0.988 227 V HN 1.100 nan 8.190 nan 0.000 0.469 228 T N 1.835 116.361 114.554 -0.047 0.000 2.849 228 T HA 0.327 4.677 4.350 -0.000 0.000 0.276 228 T C 0.952 175.531 174.700 -0.202 0.000 0.971 228 T CA -0.757 61.279 62.100 -0.106 0.000 0.949 228 T CB 0.839 69.666 68.868 -0.067 0.000 1.093 228 T HN 0.440 nan 8.240 nan 0.000 0.545 229 K N 0.070 120.269 120.400 -0.334 0.000 2.442 229 K HA -0.079 4.241 4.320 -0.000 0.000 0.198 229 K C 1.527 177.866 176.600 -0.435 0.000 1.044 229 K CA 0.971 57.002 56.287 -0.427 0.000 0.948 229 K CB -0.375 31.848 32.500 -0.463 0.000 0.762 229 K HN 0.617 nan 8.250 nan 0.000 0.472 230 H N -0.830 118.187 119.070 -0.089 0.000 2.539 230 H HA 0.125 4.681 4.556 -0.000 0.000 0.269 230 H C 1.246 176.540 175.328 -0.055 0.000 0.980 230 H CA 0.745 56.754 56.048 -0.065 0.000 1.152 230 H CB 0.576 30.311 29.762 -0.044 0.000 1.407 230 H HN 0.379 nan 8.280 nan 0.000 0.564 231 G N 1.051 109.847 108.800 -0.007 0.000 2.143 231 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.249 231 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.249 231 G C 0.402 175.322 174.900 0.034 0.000 0.981 231 G CA 0.456 45.563 45.100 0.012 0.000 0.665 231 G HN 0.420 nan 8.290 nan 0.000 0.528 232 V N -2.222 117.716 119.914 0.041 0.000 2.667 232 V HA 0.962 5.082 4.120 -0.000 0.000 0.308 232 V C 0.555 176.664 176.094 0.024 0.000 1.048 232 V CA -0.754 61.566 62.300 0.033 0.000 0.928 232 V CB 1.639 33.485 31.823 0.040 0.000 1.004 232 V HN 1.645 nan 8.190 nan 0.000 0.444 233 A N 2.389 125.221 122.820 0.019 0.000 2.354 233 A HA 0.946 5.266 4.320 -0.000 0.000 0.269 233 A C 0.337 177.928 177.584 0.012 0.000 1.109 233 A CA 0.307 52.356 52.037 0.019 0.000 0.800 233 A CB 0.541 19.555 19.000 0.022 0.000 1.045 233 A HN 2.362 nan 8.150 nan 0.000 0.489 234 A N 1.317 124.141 122.820 0.005 0.000 2.557 234 A HA 0.691 5.010 4.320 -0.000 0.000 0.292 234 A C -0.945 176.623 177.584 -0.027 0.000 1.139 234 A CA -0.619 51.413 52.037 -0.008 0.000 0.665 234 A CB 0.395 19.388 19.000 -0.011 0.000 1.285 234 A HN 0.748 nan 8.150 nan 0.000 0.433 235 I N 1.631 122.177 120.570 -0.040 0.000 2.325 235 I HA 0.351 4.520 4.170 -0.000 0.000 0.291 235 I C -0.146 175.880 176.117 -0.151 0.000 1.019 235 I CA 0.027 61.286 61.300 -0.068 0.000 1.302 235 I CB 1.499 39.488 38.000 -0.018 0.000 1.401 235 I HN 0.528 nan 8.210 nan 0.000 0.485 236 T N 4.201 118.558 114.554 -0.329 0.000 2.829 236 T HA 0.370 4.719 4.350 -0.000 0.000 0.282 236 T C -0.027 174.328 174.700 -0.576 0.000 0.990 236 T CA -0.438 61.382 62.100 -0.468 0.000 1.028 236 T CB 1.383 69.848 68.868 -0.671 0.000 0.951 236 T HN 0.475 nan 8.240 nan 0.000 0.460 237 T N 3.096 117.395 114.554 -0.426 0.000 2.815 237 T HA 0.564 4.914 4.350 -0.000 0.000 0.289 237 T C 0.383 174.884 174.700 -0.331 0.000 1.000 237 T CA -0.798 60.994 62.100 -0.513 0.000 0.958 237 T CB 1.043 69.652 68.868 -0.432 0.000 0.944 237 T HN 0.779 nan 8.240 nan 0.000 0.442 238 T N -0.314 114.086 114.554 -0.257 0.000 2.944 238 T HA 0.482 4.831 4.350 -0.000 0.000 0.284 238 T C 0.997 175.656 174.700 -0.069 0.000 1.010 238 T CA -0.988 61.061 62.100 -0.084 0.000 1.025 238 T CB 1.572 70.494 68.868 0.090 0.000 1.079 238 T HN 0.599 nan 8.240 nan 0.000 0.516 239 K N 0.014 120.393 120.400 -0.036 0.000 2.354 239 K HA 0.530 4.850 4.320 -0.000 0.000 0.194 239 K C 0.884 177.475 176.600 -0.015 0.000 1.038 239 K CA -0.072 56.193 56.287 -0.035 0.000 1.052 239 K CB -0.078 32.398 32.500 -0.039 0.000 0.861 239 K HN 1.241 nan 8.250 nan 0.000 0.535 240 G N 1.191 110.004 108.800 0.023 0.000 2.697 240 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.686 240 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.686 240 G C -1.914 172.981 174.900 -0.010 0.000 1.179 240 G CA -0.720 44.400 45.100 0.033 0.000 0.765 240 G HN 0.253 nan 8.290 nan 0.000 0.649 241 N N 0.823 119.526 118.700 0.005 0.000 2.479 241 N HA 0.332 5.072 4.740 -0.000 0.000 0.261 241 N C 1.179 176.662 175.510 -0.045 0.000 0.979 241 N CA -0.218 52.815 53.050 -0.028 0.000 0.930 241 N CB 1.447 39.945 38.487 0.019 0.000 1.172 241 N HN 0.743 nan 8.380 nan 0.000 0.499 242 E N 2.681 122.776 120.200 -0.175 0.000 2.489 242 E HA -0.052 4.298 4.350 -0.000 0.000 0.193 242 E C -0.440 176.116 176.600 -0.073 0.000 1.057 242 E CA 0.549 56.851 56.400 -0.163 0.000 0.866 242 E CB -0.330 29.232 29.700 -0.231 0.000 0.916 242 E HN 0.649 nan 8.360 nan 0.000 0.500 243 H N 0.021 119.168 119.070 0.128 0.000 2.524 243 H HA 0.299 4.855 4.556 -0.000 0.000 0.297 243 H C -0.489 175.034 175.328 0.325 0.000 1.115 243 H CA -0.826 55.337 56.048 0.192 0.000 1.027 243 H CB 0.076 29.940 29.762 0.170 0.000 1.591 243 H HN 0.078 nan 8.280 nan 0.000 0.543 244 C N 1.875 121.408 119.300 0.389 0.000 2.365 244 C HA 0.468 4.927 4.460 -0.000 0.000 0.351 244 C C -0.075 175.217 174.990 0.503 0.000 1.240 244 C CA -0.598 58.670 59.018 0.416 0.000 2.062 244 C CB -0.938 27.035 27.740 0.389 0.000 2.387 244 C HN 0.581 nan 8.230 nan 0.000 0.537 245 F N 0.668 120.788 119.950 0.283 0.000 2.692 245 F HA 0.845 5.371 4.527 -0.000 0.000 0.320 245 F C -0.931 175.023 175.800 0.258 0.000 1.123 245 F CA -1.441 56.695 58.000 0.227 0.000 0.961 245 F CB 0.236 39.342 39.000 0.175 0.000 1.383 245 F HN 0.220 nan 8.300 nan 0.000 0.483 246 V N 2.229 122.337 119.914 0.324 0.000 2.532 246 V HA 0.488 4.608 4.120 -0.000 0.000 0.295 246 V C -0.137 176.096 176.094 0.232 0.000 1.041 246 V CA -0.681 61.742 62.300 0.205 0.000 0.926 246 V CB 1.593 33.522 31.823 0.176 0.000 0.992 246 V HN 0.627 nan 8.190 nan 0.000 0.457 247 I N 4.938 125.599 120.570 0.152 0.000 2.418 247 I HA 0.389 4.558 4.170 -0.000 0.000 0.287 247 I C -0.597 175.608 176.117 0.147 0.000 1.008 247 I CA -0.443 60.957 61.300 0.166 0.000 1.104 247 I CB 1.662 39.740 38.000 0.130 0.000 1.264 247 I HN 0.337 nan 8.210 nan 0.000 0.438 248 L N 7.149 128.469 121.223 0.162 0.000 2.278 248 L HA 0.368 4.708 4.340 -0.000 0.000 0.287 248 L C 0.772 177.746 176.870 0.173 0.000 1.072 248 L CA -0.170 54.763 54.840 0.155 0.000 0.819 248 L CB 0.348 42.505 42.059 0.162 0.000 1.176 248 L HN 0.707 nan 8.230 nan 0.000 0.435 249 R N 1.562 122.153 120.500 0.152 0.000 2.590 249 R HA 0.483 4.823 4.340 -0.000 0.000 0.410 249 R C 0.478 176.876 176.300 0.164 0.000 1.010 249 R CA -0.032 56.171 56.100 0.171 0.000 1.155 249 R CB 0.469 30.851 30.300 0.136 0.000 1.455 249 R HN 0.628 nan 8.270 nan 0.000 0.567 250 G N -0.419 108.469 108.800 0.146 0.000 2.698 250 G HA2 0.171 4.131 3.960 -0.000 0.000 0.233 250 G HA3 0.171 4.131 3.960 -0.000 0.000 0.233 250 G C 0.205 175.160 174.900 0.091 0.000 1.352 250 G CA -0.223 44.950 45.100 0.122 0.000 0.879 250 G HN 1.110 nan 8.290 nan 0.000 0.567 251 G N -2.253 106.594 108.800 0.078 0.000 2.332 251 G HA2 0.448 4.407 3.960 -0.000 0.000 0.265 251 G HA3 0.448 4.407 3.960 -0.000 0.000 0.265 251 G C 0.583 175.510 174.900 0.046 0.000 1.329 251 G CA 0.506 45.642 45.100 0.060 0.000 0.949 251 G HN 1.012 nan 8.290 nan 0.000 0.476 252 K N 0.454 120.875 120.400 0.035 0.000 2.020 252 K HA -0.153 4.167 4.320 -0.000 0.000 0.212 252 K C 2.270 178.882 176.600 0.022 0.000 1.050 252 K CA 2.040 58.343 56.287 0.027 0.000 0.929 252 K CB -0.255 32.257 32.500 0.021 0.000 0.714 252 K HN 0.501 nan 8.250 nan 0.000 0.443 253 K N 0.152 120.564 120.400 0.019 0.000 2.611 253 K HA 0.102 4.421 4.320 -0.000 0.000 0.193 253 K C 0.350 176.955 176.600 0.009 0.000 1.026 253 K CA 0.480 56.774 56.287 0.012 0.000 1.063 253 K CB 0.151 32.657 32.500 0.009 0.000 0.839 253 K HN 0.223 nan 8.250 nan 0.000 0.505 254 G N 0.336 109.146 108.800 0.017 0.000 2.603 254 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.686 254 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.686 254 G C -0.315 174.598 174.900 0.021 0.000 1.286 254 G CA -0.600 44.508 45.100 0.013 0.000 0.871 254 G HN 0.510 nan 8.290 nan 0.000 0.568 255 T N -1.469 113.095 114.554 0.016 0.000 2.856 255 T HA 0.461 4.811 4.350 -0.000 0.000 0.306 255 T C 0.856 175.524 174.700 -0.053 0.000 1.062 255 T CA 0.669 62.794 62.100 0.042 0.000 1.083 255 T CB 1.111 70.031 68.868 0.086 0.000 0.984 255 T HN 1.901 nan 8.240 nan 0.000 0.542 256 N N -0.059 118.642 118.700 0.001 0.000 2.547 256 N HA 0.059 4.799 4.740 -0.000 0.000 0.285 256 N C -0.091 175.428 175.510 0.016 0.000 1.600 256 N CA -0.710 52.320 53.050 -0.033 0.000 0.872 256 N CB -0.646 37.861 38.487 0.035 0.000 1.412 256 N HN 0.880 nan 8.380 nan 0.000 0.489 257 Y N -0.582 119.744 120.300 0.043 0.000 2.458 257 Y HA 0.352 4.902 4.550 -0.000 0.000 0.254 257 Y C -0.055 175.859 175.900 0.023 0.000 1.120 257 Y CA -1.173 56.955 58.100 0.046 0.000 1.282 257 Y CB -0.421 38.063 38.460 0.040 0.000 1.109 257 Y HN -0.014 nan 8.280 nan 0.000 0.526 258 D N 1.036 121.210 120.400 -0.377 0.000 2.361 258 D HA 0.259 4.898 4.640 -0.000 0.000 0.239 258 D C 1.597 177.860 176.300 -0.061 0.000 1.200 258 D CA 0.288 54.160 54.000 -0.212 0.000 0.915 258 D CB 1.139 41.760 40.800 -0.300 0.000 1.170 258 D HN 0.200 nan 8.370 nan 0.000 0.444 259 A N 0.745 123.548 122.820 -0.028 0.000 1.940 259 A HA -0.217 4.102 4.320 -0.000 0.000 0.219 259 A C 2.036 179.613 177.584 -0.012 0.000 1.176 259 A CA 1.188 53.223 52.037 -0.004 0.000 0.631 259 A CB -0.608 18.393 19.000 0.000 0.000 0.814 259 A HN 0.513 nan 8.150 nan 0.000 0.446 260 K N 0.168 120.549 120.400 -0.031 0.000 2.009 260 K HA -0.101 4.219 4.320 -0.000 0.000 0.210 260 K C 2.391 178.978 176.600 -0.021 0.000 1.049 260 K CA 1.640 57.911 56.287 -0.026 0.000 0.929 260 K CB -0.694 31.783 32.500 -0.038 0.000 0.714 260 K HN 0.492 nan 8.250 nan 0.000 0.440 261 S N 1.109 116.786 115.700 -0.038 0.000 2.359 261 S HA -0.127 4.343 4.470 -0.000 0.000 0.224 261 S C 2.239 176.845 174.600 0.009 0.000 1.035 261 S CA 1.474 59.661 58.200 -0.022 0.000 1.018 261 S CB -0.410 62.761 63.200 -0.049 0.000 0.876 261 S HN 0.035 nan 8.310 nan 0.000 0.448 262 V N 2.046 121.971 119.914 0.019 0.000 2.343 262 V HA -0.223 3.897 4.120 -0.000 0.000 0.247 262 V C 2.653 178.767 176.094 0.034 0.000 1.051 262 V CA 1.675 64.000 62.300 0.042 0.000 1.036 262 V CB -1.282 30.573 31.823 0.053 0.000 0.654 262 V HN 0.552 nan 8.190 nan 0.000 0.451 263 A N -0.209 122.623 122.820 0.021 0.000 1.883 263 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 263 A C 2.156 179.751 177.584 0.019 0.000 1.186 263 A CA 2.043 54.091 52.037 0.018 0.000 0.624 263 A CB -0.525 18.481 19.000 0.010 0.000 0.822 263 A HN 0.635 nan 8.150 nan 0.000 0.444 264 E N -0.226 119.983 120.200 0.015 0.000 2.058 264 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 264 E C 2.350 178.964 176.600 0.024 0.000 0.997 264 E CA 1.085 57.494 56.400 0.015 0.000 0.801 264 E CB -0.365 29.341 29.700 0.010 0.000 0.746 264 E HN 0.616 nan 8.360 nan 0.000 0.450 265 A N 1.950 124.789 122.820 0.032 0.000 1.908 265 A HA -0.254 4.065 4.320 -0.000 0.000 0.218 265 A C 1.965 179.576 177.584 0.046 0.000 1.181 265 A CA 1.708 53.771 52.037 0.044 0.000 0.627 265 A CB -0.403 18.632 19.000 0.059 0.000 0.818 265 A HN 0.091 nan 8.150 nan 0.000 0.445 266 K N -0.227 120.200 120.400 0.044 0.000 2.209 266 K HA -0.024 4.295 4.320 -0.000 0.000 0.204 266 K C 2.177 178.798 176.600 0.035 0.000 1.048 266 K CA 1.005 57.317 56.287 0.043 0.000 0.940 266 K CB -0.325 32.198 32.500 0.038 0.000 0.729 266 K HN 0.450 nan 8.250 nan 0.000 0.451 267 A N 1.836 124.673 122.820 0.029 0.000 1.969 267 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 267 A C 1.897 179.495 177.584 0.024 0.000 1.169 267 A CA 1.097 53.148 52.037 0.023 0.000 0.635 267 A CB -0.256 18.755 19.000 0.018 0.000 0.810 267 A HN 0.337 nan 8.150 nan 0.000 0.445 268 Q N -0.633 119.184 119.800 0.027 0.000 2.451 268 Q HA 0.243 4.582 4.340 -0.000 0.000 0.206 268 Q C -0.291 175.727 176.000 0.030 0.000 0.947 268 Q CA -0.068 55.750 55.803 0.025 0.000 0.937 268 Q CB -0.008 28.745 28.738 0.025 0.000 1.025 268 Q HN 0.534 nan 8.270 nan 0.000 0.511 269 L N 3.892 125.137 121.223 0.037 0.000 2.290 269 L HA 0.262 4.602 4.340 -0.000 0.000 0.284 269 L C -1.844 175.049 176.870 0.037 0.000 1.078 269 L CA -1.963 52.903 54.840 0.044 0.000 0.815 269 L CB 0.417 42.511 42.059 0.057 0.000 1.162 269 L HN -0.028 nan 8.230 nan 0.000 0.435 270 P HA 0.082 nan 4.420 nan 0.000 0.269 270 P C -0.568 176.752 177.300 0.032 0.000 1.215 270 P CA -0.509 62.609 63.100 0.030 0.000 0.780 270 P CB 0.791 32.508 31.700 0.028 0.000 0.898 271 A N 1.379 124.215 122.820 0.027 0.000 2.531 271 A HA 0.386 4.706 4.320 -0.000 0.000 0.236 271 A C 1.430 179.032 177.584 0.029 0.000 1.062 271 A CA 0.703 52.756 52.037 0.026 0.000 0.760 271 A CB -1.409 17.603 19.000 0.021 0.000 0.995 271 A HN 0.988 nan 8.150 nan 0.000 0.501 272 G N 1.658 110.477 108.800 0.032 0.000 2.160 272 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.244 272 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.244 272 G C 0.402 175.331 174.900 0.048 0.000 1.022 272 G CA 0.370 45.491 45.100 0.035 0.000 0.741 272 G HN 1.082 nan 8.290 nan 0.000 0.508 273 S N 0.241 115.974 115.700 0.055 0.000 2.603 273 S HA 0.497 4.967 4.470 -0.000 0.000 0.268 273 S C 0.721 175.374 174.600 0.088 0.000 1.317 273 S CA -0.614 57.632 58.200 0.077 0.000 1.012 273 S CB 0.619 63.866 63.200 0.079 0.000 0.926 273 S HN 0.457 nan 8.310 nan 0.000 0.539 274 N N 0.814 119.589 118.700 0.126 0.000 2.463 274 N HA 0.300 5.040 4.740 -0.000 0.000 0.270 274 N C 0.615 176.182 175.510 0.095 0.000 1.205 274 N CA -0.172 52.946 53.050 0.114 0.000 0.974 274 N CB 0.283 38.877 38.487 0.178 0.000 1.197 274 N HN 0.699 nan 8.380 nan 0.000 0.504 275 G N -0.011 108.795 108.800 0.010 0.000 2.760 275 G HA2 0.144 4.104 3.960 -0.000 0.000 0.236 275 G HA3 0.144 4.104 3.960 -0.000 0.000 0.236 275 G C -0.233 174.712 174.900 0.075 0.000 1.243 275 G CA -0.057 45.041 45.100 -0.002 0.000 0.850 275 G HN 0.318 nan 8.290 nan 0.000 0.595 276 L N 0.582 121.862 121.223 0.095 0.000 2.325 276 L HA 0.587 4.927 4.340 -0.000 0.000 0.279 276 L C 0.366 177.335 176.870 0.165 0.000 1.054 276 L CA -0.483 54.459 54.840 0.170 0.000 0.804 276 L CB 1.676 43.814 42.059 0.131 0.000 1.200 276 L HN 0.620 nan 8.230 nan 0.000 0.436 277 M N 4.448 124.207 119.600 0.266 0.000 2.364 277 M HA 0.568 5.047 4.480 -0.000 0.000 0.334 277 M C -1.390 175.022 176.300 0.187 0.000 1.107 277 M CA -0.354 55.076 55.300 0.217 0.000 0.988 277 M CB 1.325 34.142 32.600 0.361 0.000 1.673 277 M HN 0.422 nan 8.290 nan 0.000 0.441 278 I N 3.578 124.239 120.570 0.151 0.000 2.339 278 I HA 0.253 4.423 4.170 -0.000 0.000 0.290 278 I C -0.738 175.479 176.117 0.166 0.000 0.994 278 I CA -0.661 60.759 61.300 0.199 0.000 1.191 278 I CB 1.466 39.632 38.000 0.278 0.000 1.343 278 I HN 0.601 nan 8.210 nan 0.000 0.458 279 D N 5.769 126.286 120.400 0.196 0.000 2.313 279 D HA 0.110 4.750 4.640 -0.000 0.000 0.239 279 D C 0.418 176.887 176.300 0.281 0.000 1.142 279 D CA -0.069 54.036 54.000 0.176 0.000 0.847 279 D CB 0.796 41.719 40.800 0.205 0.000 1.082 279 D HN 0.274 nan 8.370 nan 0.000 0.480 280 Y N 1.589 121.892 120.300 0.006 0.000 2.561 280 Y HA 0.057 4.606 4.550 -0.000 0.000 0.291 280 Y C 1.642 177.504 175.900 -0.063 0.000 1.141 280 Y CA -0.048 58.004 58.100 -0.080 0.000 1.303 280 Y CB -0.442 37.959 38.460 -0.099 0.000 1.015 280 Y HN 0.237 nan 8.280 nan 0.000 0.547 281 S N -2.331 113.450 115.700 0.135 0.000 2.618 281 S HA 0.437 4.907 4.470 -0.000 0.000 0.284 281 S C -0.114 174.500 174.600 0.024 0.000 1.102 281 S CA 0.140 58.327 58.200 -0.021 0.000 0.984 281 S CB 0.318 63.373 63.200 -0.241 0.000 1.280 281 S HN 0.486 nan 8.310 nan 0.000 0.525 282 H N -0.461 118.651 119.070 0.070 0.000 1.452 282 H HA -0.248 4.308 4.556 -0.000 0.000 0.090 282 H C 1.554 176.928 175.328 0.076 0.000 0.985 282 H CA 1.562 57.649 56.048 0.066 0.000 1.901 282 H CB -1.612 28.186 29.762 0.060 0.000 2.257 282 H HN 0.707 nan 8.280 nan 0.000 0.961 283 G N -0.160 108.784 108.800 0.241 0.000 2.469 283 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.219 283 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.219 283 G C 1.242 176.236 174.900 0.156 0.000 1.150 283 G CA 1.385 46.582 45.100 0.161 0.000 0.763 283 G HN 0.581 nan 8.290 nan 0.000 0.561 284 N N 0.338 119.150 118.700 0.187 0.000 2.515 284 N HA 0.009 4.749 4.740 -0.000 0.000 0.185 284 N C 1.958 177.545 175.510 0.128 0.000 1.109 284 N CA 0.566 53.751 53.050 0.224 0.000 0.903 284 N CB 0.274 38.929 38.487 0.281 0.000 0.969 284 N HN 0.229 nan 8.380 nan 0.000 0.450 285 S N 0.550 116.297 115.700 0.079 0.000 2.496 285 S HA 0.013 4.483 4.470 -0.000 0.000 0.224 285 S C 0.597 175.218 174.600 0.035 0.000 0.996 285 S CA -0.089 58.128 58.200 0.028 0.000 0.927 285 S CB -0.378 62.832 63.200 0.016 0.000 0.774 285 S HN 0.481 nan 8.310 nan 0.000 0.524 286 N N 0.739 119.479 118.700 0.065 0.000 2.740 286 N HA -0.213 4.527 4.740 -0.000 0.000 0.248 286 N C -0.256 175.274 175.510 0.034 0.000 1.062 286 N CA 0.773 53.856 53.050 0.056 0.000 0.704 286 N CB -0.839 37.682 38.487 0.057 0.000 0.968 286 N HN 0.433 nan 8.380 nan 0.000 0.547 287 K N -2.220 118.205 120.400 0.040 0.000 3.500 287 K HA -0.234 4.086 4.320 -0.000 0.000 0.313 287 K C -0.954 175.665 176.600 0.031 0.000 1.338 287 K CA 1.413 57.723 56.287 0.039 0.000 0.963 287 K CB -0.860 31.659 32.500 0.032 0.000 1.267 287 K HN 0.507 nan 8.250 nan 0.000 0.448 288 D N -0.153 120.251 120.400 0.006 0.000 2.575 288 D HA 0.209 4.849 4.640 -0.000 0.000 0.250 288 D C 0.695 176.947 176.300 -0.080 0.000 1.279 288 D CA -0.807 53.159 54.000 -0.057 0.000 0.925 288 D CB 0.628 41.359 40.800 -0.115 0.000 1.261 288 D HN 0.027 nan 8.370 nan 0.000 0.567 289 F N 3.043 122.972 119.950 -0.034 0.000 2.333 289 F HA 0.039 4.566 4.527 -0.000 0.000 0.300 289 F C 1.393 177.170 175.800 -0.040 0.000 1.083 289 F CA 0.689 58.662 58.000 -0.045 0.000 1.395 289 F CB -0.259 38.714 39.000 -0.046 0.000 1.056 289 F HN 0.190 nan 8.300 nan 0.000 0.529 290 R N 0.590 120.590 120.500 -0.834 0.000 2.339 290 R HA -0.000 4.339 4.340 -0.000 0.000 0.199 290 R C 1.143 177.287 176.300 -0.260 0.000 1.018 290 R CA 0.471 56.220 56.100 -0.585 0.000 1.036 290 R CB -0.574 29.333 30.300 -0.654 0.000 0.899 290 R HN 0.339 nan 8.270 nan 0.000 0.473 291 N N 0.904 119.489 118.700 -0.191 0.000 2.446 291 N HA -0.066 4.674 4.740 -0.000 0.000 0.179 291 N C 1.319 176.736 175.510 -0.154 0.000 1.054 291 N CA 0.612 53.577 53.050 -0.142 0.000 0.905 291 N CB 0.220 38.646 38.487 -0.102 0.000 0.973 291 N HN 0.347 nan 8.380 nan 0.000 0.448 292 Q N 0.553 120.295 119.800 -0.096 0.000 2.112 292 Q HA -0.126 4.214 4.340 -0.000 0.000 0.206 292 Q C -0.797 175.105 176.000 -0.164 0.000 0.987 292 Q CA 1.430 57.188 55.803 -0.074 0.000 0.858 292 Q CB -0.877 27.908 28.738 0.077 0.000 0.905 292 Q HN 0.416 nan 8.270 nan 0.000 0.420 293 P HA -0.131 nan 4.420 nan 0.000 0.221 293 P C 0.524 177.699 177.300 -0.208 0.000 1.150 293 P CA 1.289 64.308 63.100 -0.134 0.000 0.800 293 P CB 0.011 31.661 31.700 -0.084 0.000 0.787 294 K N -0.295 119.976 120.400 -0.215 0.000 2.103 294 K HA -0.015 4.305 4.320 -0.000 0.000 0.204 294 K C 2.093 178.494 176.600 -0.331 0.000 1.052 294 K CA 0.858 57.023 56.287 -0.204 0.000 0.945 294 K CB -0.557 31.859 32.500 -0.140 0.000 0.722 294 K HN -0.031 nan 8.250 nan 0.000 0.443 295 V N 2.012 121.586 119.914 -0.566 0.000 2.407 295 V HA -0.254 3.866 4.120 -0.000 0.000 0.248 295 V C 2.053 177.587 176.094 -0.932 0.000 1.055 295 V CA 1.856 63.549 62.300 -1.012 0.000 1.049 295 V CB -0.664 30.444 31.823 -1.191 0.000 0.662 295 V HN 0.381 nan 8.190 nan 0.000 0.455 296 N N 0.792 118.915 118.700 -0.963 0.000 2.043 296 N HA -0.208 4.532 4.740 -0.000 0.000 0.193 296 N C 1.535 176.864 175.510 -0.302 0.000 1.037 296 N CA 2.061 54.679 53.050 -0.721 0.000 0.851 296 N CB -0.318 37.984 38.487 -0.308 0.000 1.027 296 N HN 0.474 nan 8.380 nan 0.000 0.422 297 D N -0.236 120.030 120.400 -0.222 0.000 2.106 297 D HA -0.142 4.498 4.640 -0.000 0.000 0.191 297 D C 2.046 178.302 176.300 -0.073 0.000 0.997 297 D CA 1.241 55.174 54.000 -0.111 0.000 0.834 297 D CB -0.615 40.132 40.800 -0.088 0.000 0.956 297 D HN 0.141 nan 8.370 nan 0.000 0.448 298 V N 0.989 120.862 119.914 -0.070 0.000 2.469 298 V HA -0.198 3.921 4.120 -0.000 0.000 0.251 298 V C 2.599 178.721 176.094 0.046 0.000 1.064 298 V CA 1.035 63.358 62.300 0.039 0.000 1.066 298 V CB -0.298 31.655 31.823 0.218 0.000 0.667 298 V HN 0.053 nan 8.190 nan 0.000 0.461 299 V N -1.437 118.465 119.914 -0.020 0.000 2.346 299 V HA -0.197 3.923 4.120 -0.000 0.000 0.244 299 V C 2.486 178.605 176.094 0.043 0.000 1.037 299 V CA 1.877 64.203 62.300 0.043 0.000 1.029 299 V CB -0.590 31.272 31.823 0.066 0.000 0.663 299 V HN 0.613 nan 8.190 nan 0.000 0.454 300 C N -0.190 119.119 119.300 0.016 0.000 2.413 300 C HA -0.163 4.297 4.460 -0.000 0.000 0.277 300 C C 2.754 177.754 174.990 0.016 0.000 1.265 300 C CA 0.933 59.964 59.018 0.022 0.000 1.752 300 C CB -0.940 26.803 27.740 0.004 0.000 1.998 300 C HN 0.596 nan 8.230 nan 0.000 0.489 301 E N 0.893 121.099 120.200 0.010 0.000 2.049 301 E HA -0.235 4.115 4.350 -0.000 0.000 0.198 301 E C 2.197 178.809 176.600 0.020 0.000 1.007 301 E CA 1.672 58.079 56.400 0.012 0.000 0.809 301 E CB -0.329 29.378 29.700 0.012 0.000 0.749 301 E HN 0.713 nan 8.360 nan 0.000 0.450 302 Q N -0.205 119.614 119.800 0.031 0.000 2.119 302 Q HA -0.081 4.259 4.340 -0.000 0.000 0.201 302 Q C 2.469 178.487 176.000 0.031 0.000 0.972 302 Q CA 1.123 56.947 55.803 0.034 0.000 0.847 302 Q CB -0.021 28.746 28.738 0.048 0.000 0.903 302 Q HN 0.344 nan 8.270 nan 0.000 0.433 303 I N 0.723 121.314 120.570 0.034 0.000 2.163 303 I HA -0.248 3.921 4.170 -0.000 0.000 0.240 303 I C 2.435 178.563 176.117 0.019 0.000 1.081 303 I CA 0.935 62.253 61.300 0.029 0.000 1.353 303 I CB -0.447 37.574 38.000 0.034 0.000 1.054 303 I HN 0.149 nan 8.210 nan 0.000 0.407 304 A N 0.661 123.490 122.820 0.016 0.000 2.024 304 A HA -0.195 4.125 4.320 -0.000 0.000 0.220 304 A C 1.757 179.346 177.584 0.009 0.000 1.164 304 A CA 1.712 53.755 52.037 0.010 0.000 0.643 304 A CB -0.612 18.392 19.000 0.007 0.000 0.806 304 A HN 0.469 nan 8.150 nan 0.000 0.451 305 N N -0.834 117.873 118.700 0.011 0.000 2.314 305 N HA 0.195 4.935 4.740 -0.000 0.000 0.200 305 N C 0.935 176.451 175.510 0.010 0.000 1.135 305 N CA 0.953 54.008 53.050 0.009 0.000 0.835 305 N CB 0.557 39.050 38.487 0.010 0.000 0.989 305 N HN 0.654 nan 8.380 nan 0.000 0.478 306 G N 0.977 109.783 108.800 0.011 0.000 2.163 306 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.213 306 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.213 306 G C -0.112 174.797 174.900 0.014 0.000 0.991 306 G CA -0.337 44.769 45.100 0.011 0.000 0.653 306 G HN 0.312 nan 8.290 nan 0.000 0.518 307 E N 1.128 121.340 120.200 0.018 0.000 2.166 307 E HA 0.437 4.787 4.350 -0.000 0.000 0.279 307 E C 1.152 177.765 176.600 0.021 0.000 1.095 307 E CA -0.333 56.080 56.400 0.023 0.000 0.888 307 E CB 0.168 29.887 29.700 0.032 0.000 1.041 307 E HN 0.231 nan 8.360 nan 0.000 0.414 308 N N 3.487 122.198 118.700 0.018 0.000 2.254 308 N HA 0.066 4.806 4.740 -0.000 0.000 0.190 308 N C 0.692 176.210 175.510 0.014 0.000 1.107 308 N CA 0.689 53.747 53.050 0.012 0.000 0.869 308 N CB 0.603 39.096 38.487 0.008 0.000 0.983 308 N HN 0.479 nan 8.380 nan 0.000 0.487 309 A N 0.870 123.704 122.820 0.024 0.000 2.016 309 A HA 0.132 4.452 4.320 -0.000 0.000 0.217 309 A C 1.099 178.704 177.584 0.036 0.000 1.162 309 A CA 0.249 52.305 52.037 0.031 0.000 0.662 309 A CB -0.220 18.804 19.000 0.041 0.000 0.812 309 A HN 0.146 nan 8.150 nan 0.000 0.450 310 I N 2.034 122.627 120.570 0.039 0.000 2.372 310 I HA 0.025 4.194 4.170 -0.000 0.000 0.298 310 I C 1.332 177.459 176.117 0.016 0.000 1.137 310 I CA 0.346 61.674 61.300 0.048 0.000 1.314 310 I CB 0.635 38.675 38.000 0.066 0.000 1.444 310 I HN 0.345 nan 8.210 nan 0.000 0.541 311 T N 0.671 115.218 114.554 -0.011 0.000 3.022 311 T HA 0.305 4.655 4.350 -0.000 0.000 0.250 311 T C 0.668 175.310 174.700 -0.096 0.000 1.060 311 T CA -0.111 61.951 62.100 -0.063 0.000 1.013 311 T CB 0.552 69.356 68.868 -0.107 0.000 0.982 311 T HN 0.573 nan 8.240 nan 0.000 0.508 312 G N -0.092 108.670 108.800 -0.064 0.000 2.690 312 G HA2 0.629 4.589 3.960 -0.000 0.000 0.291 312 G HA3 0.629 4.589 3.960 -0.000 0.000 0.291 312 G C -2.085 172.787 174.900 -0.045 0.000 1.403 312 G CA -0.636 44.413 45.100 -0.085 0.000 0.864 312 G HN 0.217 nan 8.290 nan 0.000 0.480 313 V N 0.866 120.709 119.914 -0.119 0.000 2.971 313 V HA 0.715 4.835 4.120 -0.000 0.000 0.309 313 V C -0.734 175.193 176.094 -0.279 0.000 1.130 313 V CA -0.719 61.446 62.300 -0.224 0.000 0.964 313 V CB 2.229 33.845 31.823 -0.346 0.000 1.029 313 V HN 0.881 nan 8.190 nan 0.000 0.427 314 M N 5.496 124.908 119.600 -0.314 0.000 2.321 314 M HA 0.703 5.183 4.480 -0.000 0.000 0.315 314 M C -1.933 174.199 176.300 -0.280 0.000 1.052 314 M CA -0.381 54.795 55.300 -0.205 0.000 0.936 314 M CB 1.496 34.078 32.600 -0.030 0.000 1.639 314 M HN 0.576 nan 8.290 nan 0.000 0.433 315 I N 3.692 124.142 120.570 -0.200 0.000 2.499 315 I HA 0.310 4.480 4.170 -0.000 0.000 0.288 315 I C -0.725 175.352 176.117 -0.066 0.000 1.048 315 I CA -0.625 60.593 61.300 -0.137 0.000 1.062 315 I CB 2.296 40.207 38.000 -0.148 0.000 1.238 315 I HN 0.653 nan 8.210 nan 0.000 0.426 316 E N 4.608 124.776 120.200 -0.053 0.000 2.001 316 E HA 0.328 4.678 4.350 -0.000 0.000 0.279 316 E C -0.672 175.907 176.600 -0.036 0.000 1.045 316 E CA -0.195 56.155 56.400 -0.084 0.000 0.833 316 E CB 1.477 31.094 29.700 -0.137 0.000 1.077 316 E HN 0.509 nan 8.360 nan 0.000 0.397 317 S N 3.740 119.429 115.700 -0.019 0.000 2.570 317 S HA 0.531 5.001 4.470 -0.000 0.000 0.286 317 S C -0.856 173.772 174.600 0.047 0.000 1.099 317 S CA -0.731 57.518 58.200 0.081 0.000 0.913 317 S CB 1.662 64.991 63.200 0.215 0.000 1.085 317 S HN 0.438 nan 8.310 nan 0.000 0.480 318 N N 1.389 120.200 118.700 0.186 0.000 2.902 318 N HA 0.478 5.218 4.740 -0.000 0.000 0.268 318 N C 1.005 176.775 175.510 0.433 0.000 1.450 318 N CA -0.623 52.525 53.050 0.164 0.000 0.819 318 N CB 1.189 39.668 38.487 -0.014 0.000 1.540 318 N HN 0.644 nan 8.380 nan 0.000 0.545 319 I N 0.517 121.295 120.570 0.345 0.000 2.113 319 I HA -0.194 3.976 4.170 -0.000 0.000 0.238 319 I C 0.294 176.555 176.117 0.240 0.000 1.070 319 I CA 1.117 62.593 61.300 0.292 0.000 1.332 319 I CB -0.155 37.919 38.000 0.123 0.000 1.044 319 I HN 0.353 nan 8.210 nan 0.000 0.402 320 N N 1.000 119.779 118.700 0.131 0.000 2.443 320 N HA 0.206 4.946 4.740 -0.000 0.000 0.293 320 N C -0.683 174.849 175.510 0.037 0.000 1.159 320 N CA -0.471 52.637 53.050 0.096 0.000 0.904 320 N CB 1.107 39.635 38.487 0.068 0.000 1.214 320 N HN 0.220 nan 8.380 nan 0.000 0.513 321 E N -0.353 119.862 120.200 0.025 0.000 2.342 321 E HA 0.546 4.895 4.350 -0.000 0.000 0.257 321 E C 0.688 177.143 176.600 -0.242 0.000 1.150 321 E CA -0.707 55.645 56.400 -0.080 0.000 0.926 321 E CB 0.393 30.152 29.700 0.098 0.000 1.074 321 E HN 0.629 nan 8.360 nan 0.000 0.449 322 G N 1.016 109.400 108.800 -0.694 0.000 2.553 322 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.242 322 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.242 322 G C -0.716 173.940 174.900 -0.407 0.000 1.277 322 G CA 0.016 44.719 45.100 -0.662 0.000 0.910 322 G HN 1.260 nan 8.290 nan 0.000 0.576 323 N N -0.778 117.781 118.700 -0.236 0.000 3.020 323 N HA 0.609 5.349 4.740 -0.000 0.000 0.248 323 N C -0.891 174.549 175.510 -0.117 0.000 1.480 323 N CA 0.053 53.001 53.050 -0.170 0.000 0.874 323 N CB 1.050 39.443 38.487 -0.157 0.000 1.433 323 N HN 1.536 nan 8.380 nan 0.000 0.530 324 Q N -1.034 118.691 119.800 -0.125 0.000 2.418 324 Q HA 0.668 5.007 4.340 -0.000 0.000 0.282 324 Q C -0.364 175.561 176.000 -0.125 0.000 1.044 324 Q CA -1.282 54.457 55.803 -0.106 0.000 0.813 324 Q CB 1.617 30.294 28.738 -0.102 0.000 1.428 324 Q HN 0.749 nan 8.270 nan 0.000 0.402 325 G N 1.123 109.866 108.800 -0.096 0.000 2.631 325 G HA2 0.412 4.372 3.960 -0.000 0.000 0.271 325 G HA3 0.412 4.372 3.960 -0.000 0.000 0.271 325 G C -0.420 174.395 174.900 -0.141 0.000 1.302 325 G CA -0.777 44.264 45.100 -0.099 0.000 1.002 325 G HN 0.580 nan 8.290 nan 0.000 0.519 326 I N 2.107 122.593 120.570 -0.140 0.000 2.382 326 I HA 0.237 4.407 4.170 -0.000 0.000 0.285 326 I C -1.756 174.289 176.117 -0.120 0.000 1.007 326 I CA -1.656 59.538 61.300 -0.177 0.000 1.142 326 I CB 1.900 39.764 38.000 -0.227 0.000 1.289 326 I HN 0.337 nan 8.210 nan 0.000 0.453 327 P HA 0.112 nan 4.420 nan 0.000 0.269 327 P C 0.621 177.879 177.300 -0.070 0.000 1.209 327 P CA -0.230 62.826 63.100 -0.073 0.000 0.776 327 P CB 1.346 33.009 31.700 -0.061 0.000 0.876 328 A N 3.152 125.943 122.820 -0.049 0.000 1.917 328 A HA -0.238 4.082 4.320 -0.000 0.000 0.219 328 A C 2.030 179.587 177.584 -0.045 0.000 1.182 328 A CA 1.881 53.893 52.037 -0.042 0.000 0.633 328 A CB -0.938 18.046 19.000 -0.027 0.000 0.819 328 A HN 0.742 nan 8.150 nan 0.000 0.448 329 E N -0.440 119.735 120.200 -0.041 0.000 2.058 329 E HA 0.194 4.544 4.350 -0.000 0.000 0.194 329 E C 1.213 177.784 176.600 -0.049 0.000 0.997 329 E CA 1.250 57.628 56.400 -0.038 0.000 0.801 329 E CB -0.847 28.835 29.700 -0.030 0.000 0.746 329 E HN 1.170 nan 8.360 nan 0.000 0.450 330 G N 1.743 110.504 108.800 -0.064 0.000 2.270 330 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.268 330 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.268 330 G C 0.340 175.196 174.900 -0.074 0.000 1.312 330 G CA 0.170 45.221 45.100 -0.081 0.000 1.050 330 G HN 0.185 nan 8.290 nan 0.000 0.474 331 K N 0.338 120.700 120.400 -0.063 0.000 2.173 331 K HA -0.027 4.293 4.320 -0.000 0.000 0.207 331 K C 2.374 178.969 176.600 -0.007 0.000 1.046 331 K CA 3.029 59.300 56.287 -0.027 0.000 0.929 331 K CB -1.269 31.230 32.500 -0.002 0.000 0.720 331 K HN 1.559 nan 8.250 nan 0.000 0.453 332 A N 0.910 123.723 122.820 -0.012 0.000 2.024 332 A HA -0.007 4.313 4.320 -0.000 0.000 0.220 332 A C 2.414 179.996 177.584 -0.004 0.000 1.164 332 A CA 1.722 53.756 52.037 -0.004 0.000 0.643 332 A CB -0.919 18.076 19.000 -0.009 0.000 0.806 332 A HN 0.585 nan 8.150 nan 0.000 0.451 333 G N -1.190 107.600 108.800 -0.017 0.000 2.939 333 G HA2 0.348 4.308 3.960 -0.000 0.000 0.210 333 G HA3 0.348 4.308 3.960 -0.000 0.000 0.210 333 G C 0.559 175.449 174.900 -0.017 0.000 1.160 333 G CA -0.327 44.763 45.100 -0.018 0.000 0.770 333 G HN 0.387 nan 8.290 nan 0.000 0.543 334 L N 0.427 121.642 121.223 -0.015 0.000 2.452 334 L HA 0.301 4.641 4.340 -0.000 0.000 0.267 334 L C 0.495 177.386 176.870 0.034 0.000 1.188 334 L CA -0.606 54.228 54.840 -0.010 0.000 0.821 334 L CB 0.840 42.899 42.059 0.000 0.000 1.102 334 L HN -0.071 nan 8.230 nan 0.000 0.470 335 K N 1.621 122.039 120.400 0.029 0.000 2.205 335 K HA 0.137 4.456 4.320 -0.000 0.000 0.279 335 K C -0.783 175.880 176.600 0.106 0.000 1.027 335 K CA -0.310 56.015 56.287 0.064 0.000 0.932 335 K CB 0.487 33.007 32.500 0.033 0.000 1.032 335 K HN 0.245 nan 8.250 nan 0.000 0.466 336 Y N 2.961 123.272 120.300 0.018 0.000 2.610 336 Y HA 0.199 4.749 4.550 -0.000 0.000 0.332 336 Y C 1.355 177.272 175.900 0.029 0.000 1.201 336 Y CA 1.672 59.782 58.100 0.018 0.000 1.465 336 Y CB 0.483 38.945 38.460 0.002 0.000 1.283 336 Y HN 0.895 nan 8.280 nan 0.000 0.563 337 G N 3.582 111.970 108.800 -0.687 0.000 2.225 337 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.267 337 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.267 337 G C -0.841 173.979 174.900 -0.133 0.000 1.024 337 G CA 0.356 45.191 45.100 -0.443 0.000 0.784 337 G HN 0.727 nan 8.290 nan 0.000 0.507 338 V N 0.250 120.124 119.914 -0.066 0.000 2.487 338 V HA 0.658 4.778 4.120 -0.000 0.000 0.298 338 V C 0.857 176.924 176.094 -0.046 0.000 1.028 338 V CA -0.191 62.079 62.300 -0.050 0.000 0.860 338 V CB 1.764 33.559 31.823 -0.046 0.000 0.991 338 V HN 0.573 nan 8.190 nan 0.000 0.427 339 S N 4.159 119.804 115.700 -0.091 0.000 2.552 339 S HA 0.164 4.634 4.470 -0.000 0.000 0.289 339 S C 0.963 175.440 174.600 -0.204 0.000 1.304 339 S CA -0.123 58.010 58.200 -0.113 0.000 1.063 339 S CB 0.149 63.277 63.200 -0.120 0.000 0.848 339 S HN 0.709 nan 8.310 nan 0.000 0.499 340 I N 2.202 122.578 120.570 -0.323 0.000 3.928 340 I HA 0.242 4.412 4.170 -0.000 0.000 0.335 340 I C 0.749 176.755 176.117 -0.184 0.000 1.325 340 I CA -0.309 60.766 61.300 -0.376 0.000 1.107 340 I CB -0.436 37.133 38.000 -0.719 0.000 1.014 340 I HN 0.632 nan 8.210 nan 0.000 0.400 341 T N -2.364 112.145 114.554 -0.075 0.000 2.061 341 T HA 0.329 4.679 4.350 -0.000 0.000 0.190 341 T C -0.066 174.627 174.700 -0.013 0.000 0.781 341 T CA -0.391 61.726 62.100 0.027 0.000 1.192 341 T CB -0.153 68.799 68.868 0.141 0.000 2.891 341 T HN -0.032 nan 8.240 nan 0.000 0.450 342 D N 1.861 122.263 120.400 0.002 0.000 2.399 342 D HA 0.540 5.180 4.640 -0.000 0.000 0.241 342 D C 0.130 176.364 176.300 -0.110 0.000 1.133 342 D CA 0.029 54.008 54.000 -0.034 0.000 0.890 342 D CB 0.692 41.477 40.800 -0.024 0.000 1.201 342 D HN 0.825 nan 8.370 nan 0.000 0.432 343 A N 1.458 124.188 122.820 -0.150 0.000 2.462 343 A HA 0.362 4.682 4.320 -0.000 0.000 0.243 343 A C -0.040 177.301 177.584 -0.405 0.000 1.076 343 A CA -0.254 51.565 52.037 -0.363 0.000 0.773 343 A CB 0.079 18.811 19.000 -0.446 0.000 1.010 343 A HN 0.645 nan 8.150 nan 0.000 0.493 344 C N 1.412 120.398 119.300 -0.524 0.000 2.719 344 C HA 0.681 5.141 4.460 -0.000 0.000 0.327 344 C C 0.371 175.196 174.990 -0.276 0.000 1.238 344 C CA -0.679 58.167 59.018 -0.286 0.000 1.727 344 C CB 0.951 28.595 27.740 -0.160 0.000 2.256 344 C HN 0.852 nan 8.230 nan 0.000 0.489 345 I N 1.063 121.667 120.570 0.057 0.000 2.519 345 I HA 0.635 4.805 4.170 -0.000 0.000 0.287 345 I C 0.727 176.910 176.117 0.110 0.000 1.047 345 I CA 0.155 61.572 61.300 0.195 0.000 1.381 345 I CB 0.138 38.251 38.000 0.188 0.000 1.417 345 I HN 0.749 nan 8.210 nan 0.000 0.540 346 G N 4.159 113.036 108.800 0.128 0.000 2.683 346 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.260 346 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.260 346 G C 0.275 175.274 174.900 0.165 0.000 1.238 346 G CA -0.494 44.694 45.100 0.147 0.000 0.934 346 G HN 1.060 nan 8.290 nan 0.000 0.534 347 W N -0.104 121.240 121.300 0.074 0.000 2.355 347 W HA -0.101 4.559 4.660 -0.000 0.000 0.309 347 W C 2.086 178.615 176.519 0.017 0.000 1.206 347 W CA 1.741 59.108 57.345 0.036 0.000 1.284 347 W CB -0.009 29.448 29.460 -0.006 0.000 1.145 347 W HN 0.837 nan 8.180 nan 0.000 0.502 348 E N -0.135 120.019 120.200 -0.077 0.000 2.038 348 E HA -0.232 4.118 4.350 -0.000 0.000 0.195 348 E C 2.036 178.501 176.600 -0.226 0.000 1.000 348 E CA 2.465 58.773 56.400 -0.153 0.000 0.803 348 E CB -0.696 29.012 29.700 0.013 0.000 0.750 348 E HN 0.142 nan 8.360 nan 0.000 0.448 349 T N 0.758 115.237 114.554 -0.125 0.000 2.684 349 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 349 T C 2.067 176.657 174.700 -0.184 0.000 1.036 349 T CA 1.828 63.866 62.100 -0.103 0.000 1.148 349 T CB -0.570 68.288 68.868 -0.017 0.000 0.863 349 T HN 0.197 nan 8.240 nan 0.000 0.436 350 T N 1.504 115.896 114.554 -0.269 0.000 2.699 350 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 350 T C 1.907 176.312 174.700 -0.492 0.000 1.036 350 T CA 1.559 63.450 62.100 -0.348 0.000 1.147 350 T CB -0.279 68.347 68.868 -0.404 0.000 0.862 350 T HN 0.553 nan 8.240 nan 0.000 0.446 351 E N 0.531 120.286 120.200 -0.741 0.000 2.072 351 E HA -0.181 4.168 4.350 -0.000 0.000 0.191 351 E C 1.996 178.432 176.600 -0.273 0.000 0.985 351 E CA 1.244 57.305 56.400 -0.564 0.000 0.801 351 E CB -0.101 29.272 29.700 -0.545 0.000 0.750 351 E HN 0.456 nan 8.360 nan 0.000 0.452 352 D N -0.464 119.801 120.400 -0.225 0.000 2.092 352 D HA -0.170 4.470 4.640 -0.000 0.000 0.193 352 D C 1.944 178.185 176.300 -0.097 0.000 0.994 352 D CA 1.702 55.626 54.000 -0.127 0.000 0.828 352 D CB -0.023 40.716 40.800 -0.103 0.000 0.963 352 D HN 0.073 nan 8.370 nan 0.000 0.450 353 V N 0.413 120.269 119.914 -0.097 0.000 2.287 353 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 353 V C 2.645 178.723 176.094 -0.027 0.000 1.053 353 V CA 1.525 63.802 62.300 -0.038 0.000 1.027 353 V CB -0.558 31.269 31.823 0.006 0.000 0.646 353 V HN 0.333 nan 8.190 nan 0.000 0.447 354 L N -1.024 120.154 121.223 -0.074 0.000 2.056 354 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 354 L C 2.777 179.621 176.870 -0.043 0.000 1.078 354 L CA 1.335 56.140 54.840 -0.059 0.000 0.749 354 L CB -0.554 41.449 42.059 -0.093 0.000 0.901 354 L HN 0.197 nan 8.230 nan 0.000 0.433 355 R N 0.559 121.025 120.500 -0.056 0.000 2.080 355 R HA -0.136 4.204 4.340 -0.000 0.000 0.236 355 R C 2.301 178.586 176.300 -0.024 0.000 1.137 355 R CA 1.293 57.370 56.100 -0.038 0.000 0.943 355 R CB -0.463 29.811 30.300 -0.043 0.000 0.846 355 R HN 0.185 nan 8.270 nan 0.000 0.431 356 K N 0.290 120.675 120.400 -0.025 0.000 2.044 356 K HA -0.185 4.135 4.320 -0.000 0.000 0.210 356 K C 2.034 178.633 176.600 -0.002 0.000 1.049 356 K CA 1.246 57.523 56.287 -0.015 0.000 0.927 356 K CB -0.785 31.704 32.500 -0.019 0.000 0.713 356 K HN 0.136 nan 8.250 nan 0.000 0.443 357 L N 1.268 122.497 121.223 0.010 0.000 2.017 357 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 357 L C 2.352 179.226 176.870 0.007 0.000 1.073 357 L CA 1.985 56.840 54.840 0.025 0.000 0.745 357 L CB -0.862 41.221 42.059 0.040 0.000 0.894 357 L HN 0.201 nan 8.230 nan 0.000 0.432 358 A N -0.540 122.277 122.820 -0.004 0.000 1.883 358 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 358 A C 2.463 180.045 177.584 -0.005 0.000 1.186 358 A CA 2.105 54.138 52.037 -0.007 0.000 0.624 358 A CB -1.263 17.730 19.000 -0.011 0.000 0.822 358 A HN 0.582 nan 8.150 nan 0.000 0.444 359 A N -0.180 122.637 122.820 -0.005 0.000 1.908 359 A HA 0.120 4.440 4.320 -0.000 0.000 0.218 359 A C 2.534 180.117 177.584 -0.001 0.000 1.181 359 A CA 2.288 54.322 52.037 -0.004 0.000 0.627 359 A CB -1.116 17.880 19.000 -0.006 0.000 0.818 359 A HN 1.155 nan 8.150 nan 0.000 0.445 360 A N -0.516 122.305 122.820 0.002 0.000 1.908 360 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 360 A C 2.220 179.807 177.584 0.006 0.000 1.181 360 A CA 1.950 53.990 52.037 0.006 0.000 0.627 360 A CB -1.022 17.986 19.000 0.014 0.000 0.818 360 A HN 0.461 nan 8.150 nan 0.000 0.445 361 V N -0.389 119.527 119.914 0.004 0.000 2.407 361 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 361 V C 2.610 178.703 176.094 -0.002 0.000 1.055 361 V CA 2.288 64.588 62.300 0.000 0.000 1.049 361 V CB -0.809 31.011 31.823 -0.005 0.000 0.662 361 V HN 0.544 nan 8.190 nan 0.000 0.455 362 R N -0.654 119.844 120.500 -0.002 0.000 2.062 362 R HA -0.144 4.196 4.340 -0.000 0.000 0.231 362 R C 2.524 178.823 176.300 -0.001 0.000 1.136 362 R CA 1.317 57.415 56.100 -0.003 0.000 0.948 362 R CB -0.281 30.018 30.300 -0.003 0.000 0.845 362 R HN 0.389 nan 8.270 nan 0.000 0.430 363 Q N 0.203 120.003 119.800 -0.000 0.000 2.291 363 Q HA -0.174 4.166 4.340 -0.000 0.000 0.206 363 Q C 1.907 177.908 176.000 0.002 0.000 0.976 363 Q CA 1.269 57.073 55.803 0.001 0.000 0.875 363 Q CB -0.062 28.677 28.738 0.001 0.000 0.927 363 Q HN 0.259 nan 8.270 nan 0.000 0.450 364 R N -0.016 120.486 120.500 0.003 0.000 2.090 364 R HA -0.024 4.316 4.340 -0.000 0.000 0.228 364 R C 2.166 178.467 176.300 0.002 0.000 1.110 364 R CA 0.744 56.846 56.100 0.004 0.000 0.973 364 R CB 0.098 30.401 30.300 0.005 0.000 0.869 364 R HN 0.077 nan 8.270 nan 0.000 0.440 365 R N 0.095 120.595 120.500 -0.000 0.000 2.081 365 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 365 R C 2.043 178.342 176.300 -0.000 0.000 1.131 365 R CA 1.653 57.752 56.100 -0.001 0.000 0.960 365 R CB -0.143 30.156 30.300 -0.003 0.000 0.856 365 R HN 0.160 nan 8.270 nan 0.000 0.436 366 E N 0.206 120.406 120.200 0.000 0.000 2.012 366 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 366 E C 1.895 178.496 176.600 0.001 0.000 1.007 366 E CA 1.796 58.196 56.400 0.000 0.000 0.816 366 E CB -0.293 29.407 29.700 0.000 0.000 0.762 366 E HN 0.222 nan 8.360 nan 0.000 0.451 367 V N -0.246 119.670 119.914 0.002 0.000 2.794 367 V HA -0.176 3.944 4.120 -0.000 0.000 0.260 367 V C 0.745 176.841 176.094 0.003 0.000 1.103 367 V CA 1.325 63.627 62.300 0.003 0.000 1.125 367 V CB -0.686 31.140 31.823 0.004 0.000 0.702 367 V HN 0.068 nan 8.190 nan 0.000 0.494 368 N N 0.000 118.701 118.700 0.002 0.000 1.763 368 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 368 N CA 0.000 53.051 53.050 0.002 0.000 0.885 368 N CB 0.000 38.488 38.487 0.001 0.000 1.341 368 N HN 0.000 nan 8.380 nan 0.000 0.667