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 1z2c_1_B DATA FIRST_RESID 83 DATA SEQUENCE VLVLFEQMLV DMNLNEEKQQ PLREKDIVIK REMVSQYLHT SXXXXXXXXS DATA SEQUENCE SRSAMMYIQE LRSGLRDMHL LSCLESLRVS LNNNPVSWVQ TFGAEGLASL DATA SEQUENCE LDILKRLHDE KXXXXXXXDS RNQHEIIRCL KAFMNNKFGI KTMLETEEGI DATA SEQUENCE LLLVRAMDPA VPNMMIDAAK LLSALCILPQ PEDMNERVLE AMTERAEMDE DATA SEQUENCE VERFQPLLDG LKSGTSIALK VGCLQLINAL ITPAEELDFR VHIRSELMRL DATA SEQUENCE GLHQVLQELR EIENEDMKVQ LCVFDEQGDE DFFDLKGRLD DIRMEMDDFG DATA SEQUENCE EVFQIILNTV KDSKAEPHFL SILQHLLLVR NDYEARPQYY KLIEECVSQI DATA SEQUENCE VLHKNGTDPD F 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 83 V HA 0.000 nan 4.120 nan 0.000 0.244 83 V C 0.000 176.134 176.094 0.067 0.000 1.182 83 V CA 0.000 62.325 62.300 0.041 0.000 1.235 83 V CB 0.000 31.834 31.823 0.019 0.000 1.184 84 L N 0.489 121.740 121.223 0.047 0.000 2.633 84 L HA -0.038 4.302 4.340 -0.000 0.000 0.235 84 L C 2.030 178.976 176.870 0.127 0.000 1.163 84 L CA 1.052 55.940 54.840 0.080 0.000 0.859 84 L CB -0.514 41.562 42.059 0.028 0.000 0.973 84 L HN 0.286 nan 8.230 nan 0.000 0.451 85 V N -0.396 119.575 119.914 0.096 0.000 2.255 85 V HA -0.247 3.873 4.120 -0.000 0.000 0.243 85 V C 2.307 178.462 176.094 0.102 0.000 1.038 85 V CA 1.586 63.936 62.300 0.084 0.000 1.008 85 V CB -0.357 31.503 31.823 0.062 0.000 0.645 85 V HN 0.326 nan 8.190 nan 0.000 0.449 86 L N -1.079 120.219 121.223 0.125 0.000 2.043 86 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 86 L C 2.425 179.367 176.870 0.120 0.000 1.075 86 L CA 1.923 56.852 54.840 0.148 0.000 0.752 86 L CB -0.764 41.407 42.059 0.187 0.000 0.891 86 L HN 0.290 nan 8.230 nan 0.000 0.432 87 F N 1.028 120.973 119.950 -0.008 0.000 2.120 87 F HA -0.255 4.272 4.527 -0.000 0.000 0.300 87 F C 2.640 178.393 175.800 -0.078 0.000 1.095 87 F CA 1.667 59.635 58.000 -0.054 0.000 1.249 87 F CB -0.133 38.848 39.000 -0.032 0.000 0.995 87 F HN 0.075 nan 8.300 nan 0.000 0.480 88 E N -0.044 120.173 120.200 0.027 0.000 2.051 88 E HA -0.284 4.066 4.350 -0.000 0.000 0.192 88 E C 2.207 178.734 176.600 -0.123 0.000 0.991 88 E CA 1.295 57.662 56.400 -0.055 0.000 0.799 88 E CB -0.778 28.930 29.700 0.014 0.000 0.748 88 E HN 0.590 nan 8.360 nan 0.000 0.449 89 Q N 0.288 120.045 119.800 -0.072 0.000 2.061 89 Q HA -0.185 4.155 4.340 -0.000 0.000 0.204 89 Q C 2.277 178.169 176.000 -0.179 0.000 0.984 89 Q CA 1.681 57.454 55.803 -0.050 0.000 0.846 89 Q CB -0.154 28.619 28.738 0.058 0.000 0.902 89 Q HN 0.255 nan 8.270 nan 0.000 0.421 90 M N 0.094 119.445 119.600 -0.416 0.000 2.080 90 M HA -0.214 4.266 4.480 -0.000 0.000 0.260 90 M C 1.987 177.936 176.300 -0.585 0.000 1.068 90 M CA 1.498 56.255 55.300 -0.905 0.000 1.109 90 M CB -0.043 31.895 32.600 -1.104 0.000 1.342 90 M HN 0.331 nan 8.290 nan 0.000 0.405 91 L N -0.498 120.419 121.223 -0.510 0.000 2.201 91 L HA -0.159 4.181 4.340 -0.000 0.000 0.212 91 L C 2.129 178.864 176.870 -0.225 0.000 1.105 91 L CA 0.461 55.069 54.840 -0.387 0.000 0.775 91 L CB -0.263 41.568 42.059 -0.380 0.000 0.913 91 L HN 0.204 nan 8.230 nan 0.000 0.440 92 V N -1.148 118.658 119.914 -0.180 0.000 2.591 92 V HA -0.207 3.913 4.120 -0.000 0.000 0.249 92 V C 1.689 177.733 176.094 -0.082 0.000 1.053 92 V CA 1.489 63.728 62.300 -0.102 0.000 1.068 92 V CB -0.294 31.490 31.823 -0.066 0.000 0.689 92 V HN 0.345 nan 8.190 nan 0.000 0.462 93 D N -0.901 119.437 120.400 -0.103 0.000 2.349 93 D HA 0.067 4.707 4.640 -0.000 0.000 0.224 93 D C 1.577 177.851 176.300 -0.044 0.000 1.029 93 D CA 0.635 54.613 54.000 -0.037 0.000 0.879 93 D CB 0.124 40.944 40.800 0.032 0.000 0.906 93 D HN 0.314 nan 8.370 nan 0.000 0.528 94 M N -0.655 118.888 119.600 -0.095 0.000 2.405 94 M HA 0.095 4.575 4.480 -0.000 0.000 0.292 94 M C -0.031 176.232 176.300 -0.063 0.000 1.111 94 M CA -0.137 55.114 55.300 -0.082 0.000 0.979 94 M CB 0.474 32.997 32.600 -0.128 0.000 1.426 94 M HN -0.222 nan 8.290 nan 0.000 0.509 95 N N 1.961 120.630 118.700 -0.052 0.000 2.738 95 N HA -0.152 4.588 4.740 -0.000 0.000 0.249 95 N C -1.598 173.888 175.510 -0.039 0.000 1.047 95 N CA 0.671 53.699 53.050 -0.036 0.000 0.707 95 N CB -1.146 37.326 38.487 -0.025 0.000 0.937 95 N HN 0.396 nan 8.380 nan 0.000 0.545 96 L N 1.051 122.243 121.223 -0.051 0.000 2.313 96 L HA 0.401 4.741 4.340 -0.000 0.000 0.283 96 L C 0.958 177.806 176.870 -0.036 0.000 1.013 96 L CA -1.153 53.659 54.840 -0.046 0.000 0.816 96 L CB 1.292 43.313 42.059 -0.063 0.000 1.236 96 L HN 0.301 nan 8.230 nan 0.000 0.419 97 N N 1.245 119.931 118.700 -0.025 0.000 2.263 97 N HA -0.070 4.670 4.740 -0.000 0.000 0.239 97 N C 0.720 176.219 175.510 -0.017 0.000 1.317 97 N CA -0.125 52.915 53.050 -0.018 0.000 0.909 97 N CB 0.502 38.983 38.487 -0.011 0.000 1.171 97 N HN 0.669 nan 8.380 nan 0.000 0.492 98 E N -0.561 119.632 120.200 -0.011 0.000 2.049 98 E HA -0.326 4.024 4.350 -0.000 0.000 0.198 98 E C 1.357 177.954 176.600 -0.005 0.000 1.007 98 E CA 1.481 57.876 56.400 -0.007 0.000 0.809 98 E CB -0.104 29.594 29.700 -0.003 0.000 0.749 98 E HN 0.779 nan 8.360 nan 0.000 0.450 99 E N 0.047 120.244 120.200 -0.004 0.000 2.031 99 E HA -0.217 4.133 4.350 -0.000 0.000 0.193 99 E C 2.021 178.619 176.600 -0.003 0.000 0.994 99 E CA 1.092 57.491 56.400 -0.002 0.000 0.800 99 E CB 0.124 29.823 29.700 -0.002 0.000 0.752 99 E HN 0.024 nan 8.360 nan 0.000 0.447 100 K N 0.390 120.786 120.400 -0.008 0.000 2.218 100 K HA -0.193 4.127 4.320 -0.000 0.000 0.205 100 K C 2.053 178.646 176.600 -0.012 0.000 1.046 100 K CA 1.260 57.540 56.287 -0.011 0.000 0.933 100 K CB -0.212 32.277 32.500 -0.019 0.000 0.728 100 K HN 0.368 nan 8.250 nan 0.000 0.454 101 Q N 0.017 119.809 119.800 -0.013 0.000 2.269 101 Q HA -0.112 4.228 4.340 -0.000 0.000 0.201 101 Q C 2.041 178.050 176.000 0.016 0.000 0.946 101 Q CA 0.487 56.283 55.803 -0.012 0.000 0.877 101 Q CB 0.110 28.836 28.738 -0.021 0.000 0.963 101 Q HN 0.256 nan 8.270 nan 0.000 0.472 102 Q N 1.493 121.301 119.800 0.014 0.000 2.028 102 Q HA -0.208 4.132 4.340 -0.000 0.000 0.213 102 Q C -1.032 174.987 176.000 0.033 0.000 1.017 102 Q CA 2.649 58.465 55.803 0.022 0.000 0.875 102 Q CB -0.993 27.753 28.738 0.013 0.000 0.962 102 Q HN 0.222 nan 8.270 nan 0.000 0.413 103 P HA -0.089 nan 4.420 nan 0.000 0.221 103 P C 1.004 178.337 177.300 0.054 0.000 1.150 103 P CA 1.117 64.235 63.100 0.031 0.000 0.800 103 P CB -0.088 31.625 31.700 0.022 0.000 0.787 104 L N -0.796 120.474 121.223 0.078 0.000 2.141 104 L HA -0.075 4.265 4.340 -0.000 0.000 0.209 104 L C 2.635 179.640 176.870 0.225 0.000 1.094 104 L CA 1.303 56.241 54.840 0.163 0.000 0.763 104 L CB -0.554 41.598 42.059 0.154 0.000 0.908 104 L HN -0.110 nan 8.230 nan 0.000 0.437 105 R N 0.164 120.763 120.500 0.166 0.000 2.189 105 R HA -0.133 4.207 4.340 -0.000 0.000 0.223 105 R C 1.669 177.995 176.300 0.043 0.000 1.092 105 R CA 0.981 57.159 56.100 0.131 0.000 0.989 105 R CB -0.195 30.164 30.300 0.098 0.000 0.876 105 R HN 0.488 nan 8.270 nan 0.000 0.457 106 E N 0.668 120.888 120.200 0.033 0.000 2.481 106 E HA 0.002 4.352 4.350 -0.000 0.000 0.195 106 E C -0.094 176.498 176.600 -0.013 0.000 1.047 106 E CA 0.310 56.714 56.400 0.006 0.000 0.867 106 E CB 0.262 29.968 29.700 0.009 0.000 0.858 106 E HN 0.232 nan 8.360 nan 0.000 0.513 107 K N 1.621 122.008 120.400 -0.021 0.000 2.168 107 K HA 0.112 4.432 4.320 -0.000 0.000 0.258 107 K C -0.270 176.280 176.600 -0.083 0.000 1.010 107 K CA -0.580 55.682 56.287 -0.042 0.000 0.929 107 K CB 0.529 33.010 32.500 -0.032 0.000 0.998 107 K HN -0.128 nan 8.250 nan 0.000 0.479 108 D N 1.474 121.832 120.400 -0.069 0.000 2.472 108 D HA -0.038 4.602 4.640 -0.000 0.000 0.237 108 D C 1.535 177.764 176.300 -0.120 0.000 1.141 108 D CA 0.043 53.996 54.000 -0.078 0.000 0.875 108 D CB 0.473 41.241 40.800 -0.053 0.000 1.192 108 D HN 0.436 nan 8.370 nan 0.000 0.450 109 I N 0.343 120.840 120.570 -0.121 0.000 2.236 109 I HA -0.307 3.863 4.170 -0.000 0.000 0.249 109 I C 2.020 178.069 176.117 -0.114 0.000 1.102 109 I CA 0.984 62.197 61.300 -0.145 0.000 1.365 109 I CB -0.915 37.021 38.000 -0.107 0.000 1.051 109 I HN 0.277 nan 8.210 nan 0.000 0.420 110 V N 0.392 120.260 119.914 -0.075 0.000 2.332 110 V HA -0.251 3.869 4.120 -0.000 0.000 0.248 110 V C 2.436 178.500 176.094 -0.049 0.000 1.055 110 V CA 1.887 64.156 62.300 -0.051 0.000 1.038 110 V CB -1.112 30.690 31.823 -0.034 0.000 0.651 110 V HN 0.452 nan 8.190 nan 0.000 0.450 111 I N 0.044 120.579 120.570 -0.058 0.000 2.202 111 I HA -0.177 3.993 4.170 -0.000 0.000 0.242 111 I C 2.790 178.872 176.117 -0.058 0.000 1.091 111 I CA 1.792 63.067 61.300 -0.041 0.000 1.368 111 I CB -0.529 37.453 38.000 -0.031 0.000 1.058 111 I HN 0.201 nan 8.210 nan 0.000 0.410 112 K N 0.343 120.641 120.400 -0.171 0.000 2.228 112 K HA -0.255 4.065 4.320 -0.000 0.000 0.205 112 K C 2.232 178.762 176.600 -0.118 0.000 1.045 112 K CA 1.352 57.441 56.287 -0.331 0.000 0.931 112 K CB -0.218 31.843 32.500 -0.732 0.000 0.727 112 K HN 0.273 nan 8.250 nan 0.000 0.458 113 R N 1.134 121.595 120.500 -0.065 0.000 2.100 113 R HA -0.071 4.269 4.340 -0.000 0.000 0.220 113 R C 1.703 178.024 176.300 0.035 0.000 1.091 113 R CA 0.941 57.038 56.100 -0.005 0.000 0.986 113 R CB 0.222 30.511 30.300 -0.018 0.000 0.888 113 R HN 0.227 nan 8.270 nan 0.000 0.444 114 E N 0.518 120.735 120.200 0.028 0.000 2.051 114 E HA -0.230 4.120 4.350 -0.000 0.000 0.192 114 E C 2.048 178.699 176.600 0.086 0.000 0.991 114 E CA 1.425 57.851 56.400 0.043 0.000 0.799 114 E CB -0.196 29.521 29.700 0.028 0.000 0.748 114 E HN 0.411 nan 8.360 nan 0.000 0.449 115 M N 1.239 120.909 119.600 0.117 0.000 2.213 115 M HA -0.127 4.353 4.480 -0.000 0.000 0.263 115 M C 2.645 179.083 176.300 0.229 0.000 1.062 115 M CA 1.175 56.583 55.300 0.180 0.000 1.105 115 M CB -0.419 32.338 32.600 0.261 0.000 1.385 115 M HN 0.105 nan 8.290 nan 0.000 0.417 116 V N -2.385 117.672 119.914 0.238 0.000 2.548 116 V HA -0.118 4.002 4.120 -0.000 0.000 0.249 116 V C 2.203 178.436 176.094 0.232 0.000 1.055 116 V CA 1.849 64.313 62.300 0.273 0.000 1.065 116 V CB -1.270 30.699 31.823 0.243 0.000 0.681 116 V HN 0.511 nan 8.190 nan 0.000 0.462 117 S N -1.165 114.629 115.700 0.156 0.000 2.446 117 S HA -0.082 4.388 4.470 -0.000 0.000 0.225 117 S C 1.968 176.643 174.600 0.125 0.000 1.016 117 S CA 0.519 58.789 58.200 0.117 0.000 0.943 117 S CB -0.328 62.913 63.200 0.068 0.000 0.786 117 S HN 0.553 nan 8.310 nan 0.000 0.508 118 Q N 0.946 120.826 119.800 0.134 0.000 2.020 118 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 118 Q C 1.937 178.059 176.000 0.203 0.000 0.982 118 Q CA 1.827 57.717 55.803 0.144 0.000 0.838 118 Q CB -0.950 27.861 28.738 0.122 0.000 0.899 118 Q HN 0.771 nan 8.270 nan 0.000 0.423 119 Y N 1.102 121.450 120.300 0.081 0.000 2.193 119 Y HA -0.208 4.342 4.550 -0.000 0.000 0.285 119 Y C 2.036 177.978 175.900 0.069 0.000 1.166 119 Y CA 1.292 59.429 58.100 0.061 0.000 1.181 119 Y CB -0.373 38.112 38.460 0.042 0.000 0.976 119 Y HN 0.034 nan 8.280 nan 0.000 0.520 120 L N -0.935 120.284 121.223 -0.007 0.000 2.109 120 L HA -0.204 4.136 4.340 -0.000 0.000 0.207 120 L C 2.666 179.505 176.870 -0.052 0.000 1.086 120 L CA 1.505 56.278 54.840 -0.113 0.000 0.760 120 L CB -0.777 41.293 42.059 0.018 0.000 0.910 120 L HN 0.426 nan 8.230 nan 0.000 0.437 121 H N 0.729 119.768 119.070 -0.051 0.000 2.269 121 H HA -0.149 4.407 4.556 -0.000 0.000 0.299 121 H C 0.962 176.262 175.328 -0.046 0.000 1.058 121 H CA 1.877 57.906 56.048 -0.032 0.000 1.246 121 H CB -0.075 29.686 29.762 -0.002 0.000 1.376 121 H HN 0.268 nan 8.280 nan 0.000 0.503 122 T N 0.487 115.028 114.554 -0.021 0.000 4.496 122 T HA 0.197 4.547 4.350 -0.000 0.000 0.248 122 T C -0.061 174.572 174.700 -0.112 0.000 0.797 122 T CA -0.018 62.035 62.100 -0.079 0.000 1.100 122 T CB -0.551 68.346 68.868 0.049 0.000 1.356 122 T HN 0.137 nan 8.240 nan 0.000 0.727 133 S N 0.319 116.031 115.700 0.021 0.000 2.764 133 S HA 0.438 4.908 4.470 -0.000 0.000 0.289 133 S C -1.370 173.269 174.600 0.064 0.000 1.235 133 S CA -1.020 57.205 58.200 0.041 0.000 1.081 133 S CB 0.425 63.672 63.200 0.077 0.000 1.319 133 S HN 0.439 nan 8.310 nan 0.000 0.492 134 R N 1.907 122.413 120.500 0.010 0.000 2.615 134 R HA 0.531 4.871 4.340 -0.000 0.000 0.270 134 R C 0.642 177.065 176.300 0.205 0.000 1.081 134 R CA -0.076 55.997 56.100 -0.044 0.000 1.154 134 R CB 0.319 30.422 30.300 -0.329 0.000 1.063 134 R HN 0.710 nan 8.270 nan 0.000 0.519 135 S N 0.629 116.430 115.700 0.169 0.000 2.626 135 S HA 0.251 4.721 4.470 -0.000 0.000 0.257 135 S C 1.309 176.064 174.600 0.259 0.000 1.288 135 S CA -0.227 58.119 58.200 0.244 0.000 0.980 135 S CB 0.913 64.150 63.200 0.062 0.000 0.975 135 S HN 0.625 nan 8.310 nan 0.000 0.577 136 A N 1.080 123.813 122.820 -0.144 0.000 1.851 136 A HA -0.121 4.199 4.320 -0.000 0.000 0.216 136 A C 2.265 179.906 177.584 0.095 0.000 1.195 136 A CA 1.950 53.860 52.037 -0.212 0.000 0.622 136 A CB -1.100 17.594 19.000 -0.509 0.000 0.831 136 A HN 0.915 nan 8.150 nan 0.000 0.444 137 M N -1.229 118.370 119.600 -0.001 0.000 2.279 137 M HA -0.150 4.330 4.480 -0.000 0.000 0.264 137 M C 1.740 178.066 176.300 0.044 0.000 1.062 137 M CA 1.469 56.777 55.300 0.014 0.000 1.099 137 M CB -0.296 32.291 32.600 -0.023 0.000 1.394 137 M HN 0.345 nan 8.290 nan 0.000 0.426 138 M N -0.855 118.763 119.600 0.029 0.000 2.175 138 M HA -0.163 4.317 4.480 -0.000 0.000 0.264 138 M C 1.867 178.151 176.300 -0.028 0.000 1.063 138 M CA 1.652 56.932 55.300 -0.034 0.000 1.119 138 M CB -1.621 30.915 32.600 -0.107 0.000 1.377 138 M HN 0.291 nan 8.290 nan 0.000 0.415 139 Y N 0.476 120.873 120.300 0.161 0.000 2.114 139 Y HA -0.147 4.403 4.550 -0.000 0.000 0.284 139 Y C 2.473 178.480 175.900 0.178 0.000 1.143 139 Y CA 1.241 59.463 58.100 0.204 0.000 1.135 139 Y CB -0.615 38.038 38.460 0.322 0.000 0.980 139 Y HN 0.092 nan 8.280 nan 0.000 0.499 140 I N -0.008 120.755 120.570 0.322 0.000 2.248 140 I HA -0.394 3.776 4.170 -0.000 0.000 0.248 140 I C 2.356 178.529 176.117 0.092 0.000 1.107 140 I CA 1.515 62.906 61.300 0.151 0.000 1.373 140 I CB -0.502 37.501 38.000 0.005 0.000 1.055 140 I HN 0.436 nan 8.210 nan 0.000 0.418 141 Q N 0.483 120.329 119.800 0.077 0.000 2.046 141 Q HA -0.206 4.134 4.340 -0.000 0.000 0.200 141 Q C 2.135 178.167 176.000 0.053 0.000 0.975 141 Q CA 1.432 57.261 55.803 0.043 0.000 0.836 141 Q CB -0.009 28.742 28.738 0.020 0.000 0.896 141 Q HN 0.558 nan 8.270 nan 0.000 0.428 142 E N 0.627 120.873 120.200 0.077 0.000 2.097 142 E HA -0.201 4.149 4.350 -0.000 0.000 0.196 142 E C 1.895 178.549 176.600 0.091 0.000 1.000 142 E CA 0.916 57.365 56.400 0.081 0.000 0.804 142 E CB -0.198 29.565 29.700 0.106 0.000 0.740 142 E HN 0.345 nan 8.360 nan 0.000 0.454 143 L N 0.336 121.634 121.223 0.124 0.000 2.549 143 L HA -0.084 4.256 4.340 -0.000 0.000 0.229 143 L C 2.269 179.174 176.870 0.057 0.000 1.158 143 L CA 0.637 55.539 54.840 0.104 0.000 0.842 143 L CB -0.156 41.986 42.059 0.139 0.000 0.952 143 L HN 0.074 nan 8.230 nan 0.000 0.452 144 R N -0.967 119.558 120.500 0.043 0.000 2.250 144 R HA 0.028 4.368 4.340 -0.000 0.000 0.194 144 R C 2.219 178.528 176.300 0.014 0.000 0.927 144 R CA 0.779 56.890 56.100 0.020 0.000 1.052 144 R CB 0.197 30.503 30.300 0.010 0.000 1.055 144 R HN 0.275 nan 8.270 nan 0.000 0.537 145 S N 0.344 116.054 115.700 0.017 0.000 2.660 145 S HA 0.017 4.487 4.470 -0.000 0.000 0.228 145 S C 1.073 175.675 174.600 0.003 0.000 0.966 145 S CA 0.418 58.622 58.200 0.006 0.000 0.940 145 S CB -0.183 63.019 63.200 0.004 0.000 0.773 145 S HN 0.434 nan 8.310 nan 0.000 0.535 146 G N 1.662 110.468 108.800 0.011 0.000 2.352 146 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.283 146 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.283 146 G C -0.131 174.771 174.900 0.003 0.000 0.946 146 G CA 0.400 45.505 45.100 0.009 0.000 1.317 146 G HN 0.640 nan 8.290 nan 0.000 0.478 147 L N 0.319 121.551 121.223 0.016 0.000 2.475 147 L HA 0.743 5.083 4.340 -0.000 0.000 0.253 147 L C 1.081 177.974 176.870 0.039 0.000 1.198 147 L CA -0.788 54.061 54.840 0.015 0.000 0.814 147 L CB 0.343 42.434 42.059 0.052 0.000 1.134 147 L HN 0.325 nan 8.230 nan 0.000 0.478 148 R N -0.341 120.199 120.500 0.067 0.000 2.869 148 R HA 0.479 4.818 4.340 -0.000 0.000 0.263 148 R C -1.007 175.393 176.300 0.167 0.000 1.066 148 R CA -0.989 55.165 56.100 0.090 0.000 0.960 148 R CB 0.831 31.166 30.300 0.058 0.000 1.221 148 R HN 0.711 nan 8.270 nan 0.000 0.474 149 D N -0.024 120.440 120.400 0.106 0.000 3.301 149 D HA -0.266 4.374 4.640 -0.000 0.000 0.217 149 D C 1.434 177.753 176.300 0.031 0.000 1.548 149 D CA 1.957 56.004 54.000 0.079 0.000 1.118 149 D CB -0.579 40.285 40.800 0.107 0.000 0.684 149 D HN 0.644 nan 8.370 nan 0.000 0.821 150 M N -0.856 118.702 119.600 -0.071 0.000 2.192 150 M HA -0.231 4.249 4.480 -0.000 0.000 0.259 150 M C 1.966 178.172 176.300 -0.157 0.000 1.071 150 M CA 2.014 57.222 55.300 -0.155 0.000 1.082 150 M CB -0.529 31.909 32.600 -0.271 0.000 1.373 150 M HN 0.370 nan 8.290 nan 0.000 0.408 151 H N -0.552 118.528 119.070 0.016 0.000 2.353 151 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 151 H C 1.854 177.199 175.328 0.029 0.000 1.090 151 H CA 1.316 57.376 56.048 0.021 0.000 1.327 151 H CB -0.190 29.583 29.762 0.019 0.000 1.383 151 H HN 0.173 nan 8.280 nan 0.000 0.508 152 L N 0.515 121.830 121.223 0.153 0.000 2.027 152 L HA -0.079 4.261 4.340 -0.000 0.000 0.206 152 L C 2.186 179.096 176.870 0.067 0.000 1.074 152 L CA 1.301 56.200 54.840 0.099 0.000 0.745 152 L CB -0.961 41.144 42.059 0.075 0.000 0.898 152 L HN 0.361 nan 8.230 nan 0.000 0.433 153 L N -1.179 120.068 121.223 0.040 0.000 2.017 153 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 153 L C 2.731 179.611 176.870 0.018 0.000 1.073 153 L CA 1.826 56.676 54.840 0.017 0.000 0.745 153 L CB -0.443 41.615 42.059 -0.001 0.000 0.894 153 L HN 0.517 nan 8.230 nan 0.000 0.432 154 S N -1.118 114.592 115.700 0.016 0.000 2.374 154 S HA -0.321 4.149 4.470 -0.000 0.000 0.227 154 S C 2.247 176.882 174.600 0.057 0.000 1.037 154 S CA 1.773 59.986 58.200 0.021 0.000 1.024 154 S CB -0.945 62.260 63.200 0.010 0.000 0.861 154 S HN 0.746 nan 8.310 nan 0.000 0.456 155 C N 0.884 120.236 119.300 0.088 0.000 2.466 155 C HA 0.228 4.688 4.460 -0.000 0.000 0.278 155 C C 2.574 177.638 174.990 0.122 0.000 1.288 155 C CA 0.651 59.753 59.018 0.140 0.000 1.722 155 C CB -1.720 26.115 27.740 0.158 0.000 2.017 155 C HN 0.700 nan 8.230 nan 0.000 0.488 156 L N 0.909 122.173 121.223 0.068 0.000 2.083 156 L HA -0.126 4.214 4.340 -0.000 0.000 0.209 156 L C 2.803 179.660 176.870 -0.023 0.000 1.083 156 L CA 2.126 56.977 54.840 0.018 0.000 0.752 156 L CB -0.933 41.133 42.059 0.011 0.000 0.899 156 L HN 0.545 nan 8.230 nan 0.000 0.433 157 E N -0.146 120.047 120.200 -0.011 0.000 2.110 157 E HA -0.246 4.104 4.350 -0.000 0.000 0.193 157 E C 2.311 178.888 176.600 -0.039 0.000 0.988 157 E CA 1.431 57.810 56.400 -0.035 0.000 0.804 157 E CB 0.098 29.782 29.700 -0.028 0.000 0.745 157 E HN 0.376 nan 8.360 nan 0.000 0.458 158 S N 0.242 115.947 115.700 0.007 0.000 2.371 158 S HA -0.133 4.337 4.470 -0.000 0.000 0.224 158 S C 2.092 176.644 174.600 -0.080 0.000 1.029 158 S CA 0.829 59.048 58.200 0.032 0.000 0.978 158 S CB -0.293 63.001 63.200 0.158 0.000 0.833 158 S HN 0.361 nan 8.310 nan 0.000 0.466 159 L N 2.190 123.302 121.223 -0.185 0.000 2.127 159 L HA 0.051 4.391 4.340 -0.000 0.000 0.211 159 L C 2.579 179.206 176.870 -0.404 0.000 1.089 159 L CA 1.801 56.285 54.840 -0.593 0.000 0.757 159 L CB -0.720 41.014 42.059 -0.542 0.000 0.899 159 L HN 0.308 nan 8.230 nan 0.000 0.434 160 R N -0.879 119.483 120.500 -0.230 0.000 2.083 160 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 160 R C 2.071 178.255 176.300 -0.193 0.000 1.137 160 R CA 2.056 58.050 56.100 -0.177 0.000 0.951 160 R CB -0.364 29.864 30.300 -0.120 0.000 0.851 160 R HN 0.387 nan 8.270 nan 0.000 0.434 161 V N 0.323 120.124 119.914 -0.187 0.000 2.548 161 V HA -0.164 3.956 4.120 -0.000 0.000 0.249 161 V C 2.153 178.091 176.094 -0.259 0.000 1.055 161 V CA 1.815 64.010 62.300 -0.174 0.000 1.065 161 V CB 0.088 31.837 31.823 -0.123 0.000 0.681 161 V HN 0.378 nan 8.190 nan 0.000 0.462 162 S N 0.295 115.761 115.700 -0.389 0.000 2.345 162 S HA -0.066 4.404 4.470 -0.000 0.000 0.219 162 S C 1.911 176.131 174.600 -0.634 0.000 1.031 162 S CA 1.238 59.044 58.200 -0.656 0.000 0.984 162 S CB -0.342 62.254 63.200 -1.007 0.000 0.874 162 S HN 0.451 nan 8.310 nan 0.000 0.451 163 L N 1.568 122.512 121.223 -0.465 0.000 2.127 163 L HA -0.160 4.180 4.340 -0.000 0.000 0.211 163 L C 2.339 179.125 176.870 -0.140 0.000 1.089 163 L CA 1.195 55.912 54.840 -0.205 0.000 0.757 163 L CB -0.565 41.426 42.059 -0.114 0.000 0.899 163 L HN 0.314 nan 8.230 nan 0.000 0.434 164 N N -0.112 118.487 118.700 -0.168 0.000 2.207 164 N HA -0.116 4.624 4.740 -0.000 0.000 0.182 164 N C 1.315 176.755 175.510 -0.116 0.000 1.020 164 N CA 1.139 54.122 53.050 -0.112 0.000 0.858 164 N CB 0.161 38.589 38.487 -0.098 0.000 0.991 164 N HN 0.244 nan 8.380 nan 0.000 0.427 165 N N -1.172 117.428 118.700 -0.167 0.000 2.184 165 N HA 0.188 4.928 4.740 -0.000 0.000 0.206 165 N C -0.913 174.507 175.510 -0.150 0.000 1.151 165 N CA -0.192 52.776 53.050 -0.137 0.000 0.878 165 N CB 0.466 38.877 38.487 -0.127 0.000 1.014 165 N HN 0.207 nan 8.380 nan 0.000 0.512 166 N N 0.982 119.547 118.700 -0.225 0.000 2.495 166 N HA 0.276 5.016 4.740 -0.000 0.000 0.280 166 N C -2.636 172.849 175.510 -0.041 0.000 1.168 166 N CA -1.644 51.283 53.050 -0.203 0.000 0.978 166 N CB 0.720 38.903 38.487 -0.505 0.000 1.191 166 N HN -0.129 nan 8.380 nan 0.000 0.497 167 P HA -0.130 nan 4.420 nan 0.000 0.257 167 P C 1.010 178.386 177.300 0.126 0.000 1.144 167 P CA 0.311 63.484 63.100 0.121 0.000 0.761 167 P CB 0.352 32.170 31.700 0.196 0.000 0.734 168 V N 3.431 123.387 119.914 0.070 0.000 2.409 168 V HA -0.368 3.752 4.120 -0.000 0.000 0.261 168 V C 2.312 178.436 176.094 0.049 0.000 1.099 168 V CA 2.732 65.061 62.300 0.049 0.000 1.100 168 V CB -1.118 30.711 31.823 0.010 0.000 0.677 168 V HN 0.739 nan 8.190 nan 0.000 0.460 169 S N -1.895 113.847 115.700 0.070 0.000 2.368 169 S HA -0.321 4.149 4.470 -0.000 0.000 0.225 169 S C 1.597 176.239 174.600 0.071 0.000 1.030 169 S CA 1.597 59.813 58.200 0.027 0.000 0.999 169 S CB -0.959 62.267 63.200 0.044 0.000 0.844 169 S HN 0.725 nan 8.310 nan 0.000 0.459 170 W N 2.284 123.574 121.300 -0.017 0.000 2.304 170 W HA -0.212 4.448 4.660 -0.000 0.000 0.315 170 W C 2.259 178.812 176.519 0.058 0.000 1.233 170 W CA 1.998 59.356 57.345 0.022 0.000 1.261 170 W CB -0.636 28.837 29.460 0.022 0.000 1.150 170 W HN 0.133 nan 8.180 nan 0.000 0.494 171 V N 0.390 120.569 119.914 0.442 0.000 2.380 171 V HA -0.395 3.725 4.120 -0.000 0.000 0.251 171 V C 2.173 178.378 176.094 0.185 0.000 1.063 171 V CA 2.435 64.953 62.300 0.363 0.000 1.055 171 V CB -0.986 30.948 31.823 0.184 0.000 0.657 171 V HN 0.344 nan 8.190 nan 0.000 0.455 172 Q N -0.523 119.182 119.800 -0.158 0.000 2.172 172 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 172 Q C 2.276 178.151 176.000 -0.208 0.000 0.964 172 Q CA 1.876 57.358 55.803 -0.536 0.000 0.855 172 Q CB -0.296 27.963 28.738 -0.797 0.000 0.918 172 Q HN 0.774 nan 8.270 nan 0.000 0.444 173 T N 0.400 114.860 114.554 -0.156 0.000 2.777 173 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 173 T C 1.426 176.067 174.700 -0.099 0.000 1.040 173 T CA 0.846 62.845 62.100 -0.168 0.000 1.141 173 T CB -0.428 68.263 68.868 -0.295 0.000 0.868 173 T HN 0.195 nan 8.240 nan 0.000 0.444 174 F N 2.591 122.409 119.950 -0.221 0.000 2.095 174 F HA 0.166 4.693 4.527 -0.000 0.000 0.298 174 F C 1.734 177.618 175.800 0.141 0.000 1.104 174 F CA 1.141 59.103 58.000 -0.063 0.000 1.232 174 F CB -0.975 38.061 39.000 0.060 0.000 0.987 174 F HN 0.474 nan 8.300 nan 0.000 0.475 175 G N -0.333 108.710 108.800 0.404 0.000 2.601 175 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.261 175 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.261 175 G C 0.962 176.053 174.900 0.318 0.000 1.289 175 G CA 0.397 45.754 45.100 0.428 0.000 0.920 175 G HN 1.022 nan 8.290 nan 0.000 0.571 176 A N -1.150 121.801 122.820 0.219 0.000 1.933 176 A HA 0.025 4.345 4.320 -0.000 0.000 0.218 176 A C 2.172 179.716 177.584 -0.066 0.000 1.175 176 A CA 2.476 54.560 52.037 0.079 0.000 0.628 176 A CB -0.523 18.515 19.000 0.063 0.000 0.814 176 A HN 0.814 nan 8.150 nan 0.000 0.444 177 E N -0.727 119.401 120.200 -0.120 0.000 2.007 177 E HA -0.077 4.273 4.350 -0.000 0.000 0.194 177 E C 2.261 178.642 176.600 -0.365 0.000 0.999 177 E CA 0.769 57.050 56.400 -0.198 0.000 0.811 177 E CB -0.528 29.068 29.700 -0.173 0.000 0.762 177 E HN 0.554 nan 8.360 nan 0.000 0.450 178 G N 2.086 110.446 108.800 -0.734 0.000 2.649 178 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.220 178 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.220 178 G C 1.514 176.046 174.900 -0.614 0.000 1.189 178 G CA 1.028 45.293 45.100 -1.392 0.000 0.777 178 G HN 0.189 nan 8.290 nan 0.000 0.602 179 L N 0.585 121.511 121.223 -0.495 0.000 2.021 179 L HA -0.224 4.116 4.340 -0.000 0.000 0.215 179 L C 3.285 180.036 176.870 -0.199 0.000 1.074 179 L CA 2.175 56.798 54.840 -0.361 0.000 0.760 179 L CB -0.573 41.222 42.059 -0.440 0.000 0.889 179 L HN 0.372 nan 8.230 nan 0.000 0.433 180 A N -0.745 121.973 122.820 -0.170 0.000 1.972 180 A HA -0.185 4.135 4.320 -0.000 0.000 0.219 180 A C 2.321 179.856 177.584 -0.081 0.000 1.169 180 A CA 1.839 53.815 52.037 -0.102 0.000 0.635 180 A CB -0.487 18.463 19.000 -0.084 0.000 0.810 180 A HN 0.668 nan 8.150 nan 0.000 0.446 181 S N -1.289 114.352 115.700 -0.099 0.000 2.478 181 S HA 0.072 4.542 4.470 -0.000 0.000 0.222 181 S C 1.639 176.227 174.600 -0.021 0.000 1.008 181 S CA 0.722 58.890 58.200 -0.053 0.000 0.928 181 S CB -0.262 62.907 63.200 -0.053 0.000 0.781 181 S HN 0.203 nan 8.310 nan 0.000 0.518 182 L N 1.935 123.144 121.223 -0.024 0.000 2.027 182 L HA 0.225 4.565 4.340 -0.000 0.000 0.206 182 L C 2.231 179.094 176.870 -0.011 0.000 1.074 182 L CA 1.535 56.380 54.840 0.009 0.000 0.745 182 L CB -0.946 41.121 42.059 0.014 0.000 0.898 182 L HN 0.353 nan 8.230 nan 0.000 0.433 183 L N -1.234 119.971 121.223 -0.029 0.000 2.291 183 L HA -0.142 4.198 4.340 -0.000 0.000 0.214 183 L C 2.048 178.915 176.870 -0.005 0.000 1.120 183 L CA 0.460 55.292 54.840 -0.013 0.000 0.799 183 L CB -0.703 41.346 42.059 -0.018 0.000 0.925 183 L HN 0.228 nan 8.230 nan 0.000 0.446 184 D N 0.829 121.222 120.400 -0.013 0.000 2.084 184 D HA -0.153 4.487 4.640 -0.000 0.000 0.194 184 D C 2.303 178.599 176.300 -0.006 0.000 0.990 184 D CA 1.327 55.323 54.000 -0.007 0.000 0.826 184 D CB -0.042 40.751 40.800 -0.011 0.000 0.971 184 D HN 0.255 nan 8.370 nan 0.000 0.453 185 I N 0.699 121.265 120.570 -0.008 0.000 2.099 185 I HA -0.267 3.903 4.170 -0.000 0.000 0.239 185 I C 2.617 178.707 176.117 -0.045 0.000 1.066 185 I CA 0.695 61.986 61.300 -0.014 0.000 1.324 185 I CB -0.248 37.752 38.000 0.000 0.000 1.037 185 I HN 0.020 nan 8.210 nan 0.000 0.401 186 L N 0.447 121.637 121.223 -0.055 0.000 2.034 186 L HA -0.351 3.989 4.340 -0.000 0.000 0.217 186 L C 2.630 179.413 176.870 -0.145 0.000 1.077 186 L CA 1.825 56.590 54.840 -0.124 0.000 0.769 186 L CB -0.487 41.544 42.059 -0.046 0.000 0.890 186 L HN 0.256 nan 8.230 nan 0.000 0.435 187 K N -0.589 119.813 120.400 0.004 0.000 1.971 187 K HA -0.259 4.061 4.320 -0.000 0.000 0.221 187 K C 2.138 178.760 176.600 0.038 0.000 1.050 187 K CA 1.779 58.116 56.287 0.083 0.000 0.967 187 K CB -0.367 32.168 32.500 0.057 0.000 0.733 187 K HN 0.108 nan 8.250 nan 0.000 0.445 188 R N 1.038 121.543 120.500 0.008 0.000 2.204 188 R HA -0.205 4.135 4.340 -0.000 0.000 0.253 188 R C 2.129 178.421 176.300 -0.014 0.000 1.172 188 R CA 1.369 57.471 56.100 0.004 0.000 0.994 188 R CB -0.319 29.980 30.300 -0.002 0.000 0.874 188 R HN 0.220 nan 8.270 nan 0.000 0.462 189 L N -1.028 120.152 121.223 -0.072 0.000 2.023 189 L HA -0.157 4.183 4.340 -0.000 0.000 0.205 189 L C 2.118 178.940 176.870 -0.080 0.000 1.073 189 L CA 1.666 56.439 54.840 -0.111 0.000 0.745 189 L CB -0.475 41.469 42.059 -0.192 0.000 0.900 189 L HN 0.338 nan 8.230 nan 0.000 0.435 190 H N -0.488 118.588 119.070 0.010 0.000 2.466 190 H HA -0.195 4.361 4.556 -0.000 0.000 0.297 190 H C 1.125 176.456 175.328 0.006 0.000 1.113 190 H CA 1.225 57.277 56.048 0.007 0.000 1.273 190 H CB -0.081 29.684 29.762 0.005 0.000 1.371 190 H HN 0.373 nan 8.280 nan 0.000 0.528 191 D N 0.145 120.610 120.400 0.109 0.000 2.378 191 D HA -0.079 4.561 4.640 -0.000 0.000 0.227 191 D C 1.609 177.934 176.300 0.043 0.000 1.012 191 D CA 0.564 54.602 54.000 0.063 0.000 0.905 191 D CB 0.069 40.895 40.800 0.044 0.000 0.895 191 D HN 0.481 nan 8.370 nan 0.000 0.532 192 E N 0.323 120.548 120.200 0.042 0.000 2.400 192 E HA 0.051 4.401 4.350 -0.000 0.000 0.195 192 E C 0.399 177.022 176.600 0.037 0.000 1.012 192 E CA 0.320 56.738 56.400 0.030 0.000 0.875 192 E CB 0.380 30.091 29.700 0.018 0.000 0.859 192 E HN 0.082 nan 8.360 nan 0.000 0.498 202 S N 1.541 117.256 115.700 0.025 0.000 2.503 202 S HA 0.030 4.500 4.470 -0.000 0.000 0.217 202 S C 1.624 176.267 174.600 0.071 0.000 0.999 202 S CA 0.209 58.428 58.200 0.033 0.000 0.914 202 S CB 0.269 63.483 63.200 0.023 0.000 0.782 202 S HN 0.392 nan 8.310 nan 0.000 0.520 203 R N 1.907 122.447 120.500 0.068 0.000 2.133 203 R HA -0.060 4.280 4.340 -0.000 0.000 0.247 203 R C 2.004 178.341 176.300 0.062 0.000 1.151 203 R CA 1.935 58.081 56.100 0.076 0.000 0.971 203 R CB -0.384 29.939 30.300 0.038 0.000 0.866 203 R HN 0.448 nan 8.270 nan 0.000 0.447 204 N N 0.302 119.027 118.700 0.041 0.000 2.092 204 N HA -0.131 4.609 4.740 -0.000 0.000 0.189 204 N C 1.703 177.230 175.510 0.029 0.000 1.040 204 N CA 1.301 54.366 53.050 0.025 0.000 0.845 204 N CB -0.252 38.243 38.487 0.013 0.000 1.017 204 N HN 0.334 nan 8.380 nan 0.000 0.426 205 Q N -0.114 119.697 119.800 0.018 0.000 2.077 205 Q HA -0.228 4.112 4.340 -0.000 0.000 0.206 205 Q C 1.895 177.950 176.000 0.092 0.000 0.989 205 Q CA 1.516 57.324 55.803 0.009 0.000 0.853 205 Q CB -0.364 28.360 28.738 -0.022 0.000 0.907 205 Q HN 0.469 nan 8.270 nan 0.000 0.418 206 H N 1.057 120.123 119.070 -0.006 0.000 2.319 206 H HA -0.105 4.451 4.556 -0.000 0.000 0.299 206 H C 1.927 177.255 175.328 -0.001 0.000 1.092 206 H CA 1.516 57.566 56.048 0.002 0.000 1.302 206 H CB 0.102 29.866 29.762 0.003 0.000 1.373 206 H HN 0.200 nan 8.280 nan 0.000 0.497 207 E N 0.362 120.582 120.200 0.034 0.000 2.058 207 E HA -0.140 4.210 4.350 -0.000 0.000 0.194 207 E C 2.706 179.299 176.600 -0.013 0.000 0.997 207 E CA 1.060 57.429 56.400 -0.051 0.000 0.801 207 E CB -0.275 29.399 29.700 -0.044 0.000 0.746 207 E HN 0.541 nan 8.360 nan 0.000 0.450 208 I N 1.174 121.754 120.570 0.018 0.000 2.091 208 I HA -0.324 3.846 4.170 -0.000 0.000 0.239 208 I C 2.373 178.513 176.117 0.037 0.000 1.061 208 I CA 0.927 62.239 61.300 0.020 0.000 1.317 208 I CB -0.475 37.535 38.000 0.017 0.000 1.031 208 I HN 0.101 nan 8.210 nan 0.000 0.401 209 I N 0.804 121.419 120.570 0.075 0.000 2.113 209 I HA -0.313 3.857 4.170 -0.000 0.000 0.242 209 I C 2.719 178.884 176.117 0.080 0.000 1.064 209 I CA 1.705 63.063 61.300 0.098 0.000 1.320 209 I CB -1.487 36.608 38.000 0.158 0.000 1.028 209 I HN 0.320 nan 8.210 nan 0.000 0.406 210 R N 0.172 120.705 120.500 0.056 0.000 2.113 210 R HA -0.228 4.112 4.340 -0.000 0.000 0.244 210 R C 2.459 178.760 176.300 0.002 0.000 1.142 210 R CA 2.050 58.149 56.100 -0.002 0.000 0.953 210 R CB -1.142 29.099 30.300 -0.098 0.000 0.860 210 R HN 0.405 nan 8.270 nan 0.000 0.438 211 C N 0.935 120.230 119.300 -0.008 0.000 2.413 211 C HA -0.106 4.354 4.460 -0.000 0.000 0.276 211 C C 2.884 177.918 174.990 0.072 0.000 1.236 211 C CA 0.604 59.619 59.018 -0.005 0.000 1.735 211 C CB -1.065 26.654 27.740 -0.035 0.000 2.031 211 C HN 0.439 nan 8.230 nan 0.000 0.474 212 L N 0.754 122.022 121.223 0.075 0.000 2.046 212 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 212 L C 2.705 179.678 176.870 0.171 0.000 1.077 212 L CA 1.850 56.763 54.840 0.122 0.000 0.747 212 L CB -0.760 41.347 42.059 0.079 0.000 0.896 212 L HN 0.470 nan 8.230 nan 0.000 0.432 213 K N 0.477 120.944 120.400 0.111 0.000 2.032 213 K HA -0.215 4.105 4.320 -0.000 0.000 0.209 213 K C 2.103 178.761 176.600 0.096 0.000 1.048 213 K CA 1.548 57.891 56.287 0.093 0.000 0.927 213 K CB -0.106 32.433 32.500 0.064 0.000 0.712 213 K HN 0.248 nan 8.250 nan 0.000 0.441 214 A N 0.713 123.585 122.820 0.087 0.000 1.902 214 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 214 A C 2.029 179.694 177.584 0.134 0.000 1.181 214 A CA 1.353 53.432 52.037 0.070 0.000 0.623 214 A CB -0.876 18.138 19.000 0.023 0.000 0.818 214 A HN 0.532 nan 8.150 nan 0.000 0.443 215 F N 0.371 120.345 119.950 0.040 0.000 2.126 215 F HA -0.183 4.344 4.527 -0.000 0.000 0.299 215 F C 2.268 178.124 175.800 0.093 0.000 1.096 215 F CA 2.180 60.238 58.000 0.097 0.000 1.255 215 F CB -0.128 38.949 39.000 0.129 0.000 0.997 215 F HN 0.161 nan 8.300 nan 0.000 0.479 216 M N -0.908 118.809 119.600 0.194 0.000 2.435 216 M HA -0.117 4.363 4.480 -0.000 0.000 0.265 216 M C 1.796 178.114 176.300 0.029 0.000 1.104 216 M CA 0.716 56.070 55.300 0.090 0.000 1.140 216 M CB -0.748 31.930 32.600 0.130 0.000 1.372 216 M HN 0.177 nan 8.290 nan 0.000 0.456 217 N N 2.588 121.311 118.700 0.038 0.000 2.451 217 N HA -0.244 4.496 4.740 -0.000 0.000 0.207 217 N C -0.438 175.070 175.510 -0.003 0.000 0.910 217 N CA 1.957 55.016 53.050 0.014 0.000 0.982 217 N CB -0.184 38.311 38.487 0.013 0.000 1.036 217 N HN 0.675 nan 8.380 nan 0.000 0.652 218 N N -2.342 116.347 118.700 -0.019 0.000 2.708 218 N HA 0.208 4.948 4.740 -0.000 0.000 0.257 218 N C -0.165 175.335 175.510 -0.017 0.000 1.373 218 N CA -0.860 52.181 53.050 -0.015 0.000 0.843 218 N CB 0.967 39.448 38.487 -0.010 0.000 1.503 218 N HN -0.323 nan 8.380 nan 0.000 0.504 219 K N -0.487 119.918 120.400 0.008 0.000 2.032 219 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 219 K C 1.219 177.823 176.600 0.007 0.000 1.048 219 K CA 1.646 57.939 56.287 0.011 0.000 0.927 219 K CB -0.402 32.114 32.500 0.026 0.000 0.712 219 K HN 0.506 nan 8.250 nan 0.000 0.441 220 F N 1.318 121.215 119.950 -0.088 0.000 2.069 220 F HA -0.190 4.337 4.527 -0.000 0.000 0.298 220 F C 2.071 177.774 175.800 -0.162 0.000 1.113 220 F CA 1.925 59.861 58.000 -0.106 0.000 1.214 220 F CB -0.927 38.002 39.000 -0.118 0.000 0.978 220 F HN 0.036 nan 8.300 nan 0.000 0.474 221 G N 1.299 109.893 108.800 -0.343 0.000 2.628 221 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.217 221 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.217 221 G C 1.690 176.467 174.900 -0.205 0.000 1.240 221 G CA 1.948 46.712 45.100 -0.559 0.000 0.792 221 G HN 0.640 nan 8.290 nan 0.000 0.593 222 I N -0.940 119.571 120.570 -0.097 0.000 2.236 222 I HA -0.205 3.965 4.170 -0.000 0.000 0.249 222 I C 2.469 178.548 176.117 -0.064 0.000 1.102 222 I CA 1.940 63.221 61.300 -0.031 0.000 1.365 222 I CB -0.399 37.593 38.000 -0.013 0.000 1.051 222 I HN -0.081 nan 8.210 nan 0.000 0.420 223 K N 1.453 121.767 120.400 -0.143 0.000 1.985 223 K HA -0.082 4.238 4.320 -0.000 0.000 0.210 223 K C 2.247 178.750 176.600 -0.163 0.000 1.047 223 K CA 2.252 58.448 56.287 -0.152 0.000 0.932 223 K CB -1.511 30.882 32.500 -0.180 0.000 0.716 223 K HN 0.475 nan 8.250 nan 0.000 0.439 224 T N 1.629 116.010 114.554 -0.288 0.000 2.833 224 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 224 T C 1.849 176.552 174.700 0.006 0.000 1.054 224 T CA 1.517 63.516 62.100 -0.168 0.000 1.135 224 T CB -0.166 68.571 68.868 -0.218 0.000 0.869 224 T HN 0.069 nan 8.240 nan 0.000 0.466 225 M N 1.064 120.709 119.600 0.075 0.000 2.175 225 M HA 0.139 4.619 4.480 -0.000 0.000 0.264 225 M C 1.828 178.145 176.300 0.029 0.000 1.063 225 M CA 1.378 56.728 55.300 0.084 0.000 1.119 225 M CB -0.735 31.944 32.600 0.131 0.000 1.377 225 M HN 0.168 nan 8.290 nan 0.000 0.415 226 L N -0.499 120.729 121.223 0.007 0.000 2.275 226 L HA -0.155 4.185 4.340 -0.000 0.000 0.215 226 L C 1.572 178.439 176.870 -0.005 0.000 1.119 226 L CA 1.059 55.898 54.840 -0.001 0.000 0.790 226 L CB -0.590 41.463 42.059 -0.010 0.000 0.919 226 L HN 0.388 nan 8.230 nan 0.000 0.443 227 E N -0.907 119.285 120.200 -0.013 0.000 2.489 227 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 227 E C 0.260 176.856 176.600 -0.006 0.000 1.057 227 E CA 0.013 56.407 56.400 -0.012 0.000 0.866 227 E CB 0.179 29.868 29.700 -0.019 0.000 0.916 227 E HN 0.386 nan 8.360 nan 0.000 0.500 228 T N 0.782 115.334 114.554 -0.003 0.000 2.889 228 T HA 0.108 4.458 4.350 -0.000 0.000 0.291 228 T C 1.016 175.715 174.700 -0.000 0.000 0.995 228 T CA -0.591 61.507 62.100 -0.004 0.000 1.092 228 T CB 1.829 70.693 68.868 -0.006 0.000 0.954 228 T HN -0.043 nan 8.240 nan 0.000 0.506 229 E N 1.536 121.735 120.200 -0.002 0.000 2.058 229 E HA -0.164 4.186 4.350 -0.000 0.000 0.194 229 E C 1.290 177.892 176.600 0.004 0.000 0.997 229 E CA 1.404 57.804 56.400 0.001 0.000 0.801 229 E CB 0.096 29.796 29.700 -0.000 0.000 0.746 229 E HN 0.627 nan 8.360 nan 0.000 0.450 230 E N -0.737 119.466 120.200 0.006 0.000 2.489 230 E HA 0.102 4.452 4.350 -0.000 0.000 0.204 230 E C 1.454 178.064 176.600 0.017 0.000 1.006 230 E CA 0.342 56.749 56.400 0.011 0.000 0.936 230 E CB 0.367 30.077 29.700 0.016 0.000 1.002 230 E HN 0.270 nan 8.360 nan 0.000 0.488 231 G N 1.583 110.391 108.800 0.014 0.000 2.672 231 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.218 231 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.218 231 G C 1.552 176.468 174.900 0.027 0.000 1.238 231 G CA 1.275 46.387 45.100 0.020 0.000 0.791 231 G HN 0.281 nan 8.290 nan 0.000 0.606 232 I N 0.039 120.624 120.570 0.024 0.000 2.127 232 I HA -0.173 3.997 4.170 -0.000 0.000 0.241 232 I C 2.676 178.806 176.117 0.021 0.000 1.075 232 I CA 0.852 62.168 61.300 0.026 0.000 1.334 232 I CB -0.423 37.591 38.000 0.023 0.000 1.040 232 I HN 0.146 nan 8.210 nan 0.000 0.405 233 L N 0.695 121.926 121.223 0.013 0.000 2.051 233 L HA -0.243 4.097 4.340 -0.000 0.000 0.214 233 L C 2.279 179.151 176.870 0.002 0.000 1.076 233 L CA 1.924 56.766 54.840 0.002 0.000 0.758 233 L CB -0.574 41.483 42.059 -0.002 0.000 0.890 233 L HN 0.189 nan 8.230 nan 0.000 0.433 234 L N -1.996 119.243 121.223 0.026 0.000 2.179 234 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 234 L C 2.385 179.298 176.870 0.071 0.000 1.096 234 L CA 0.582 55.459 54.840 0.062 0.000 0.779 234 L CB -0.281 41.832 42.059 0.090 0.000 0.922 234 L HN 0.294 nan 8.230 nan 0.000 0.443 235 L N -1.156 120.098 121.223 0.052 0.000 2.017 235 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 235 L C 2.523 179.415 176.870 0.037 0.000 1.073 235 L CA 0.894 55.765 54.840 0.051 0.000 0.745 235 L CB -0.553 41.534 42.059 0.047 0.000 0.894 235 L HN 0.036 nan 8.230 nan 0.000 0.432 236 V N -0.072 119.854 119.914 0.021 0.000 2.287 236 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 236 V C 2.582 178.667 176.094 -0.015 0.000 1.053 236 V CA 1.755 64.058 62.300 0.006 0.000 1.027 236 V CB -0.655 31.167 31.823 -0.002 0.000 0.646 236 V HN 0.422 nan 8.190 nan 0.000 0.447 237 R N 0.179 120.653 120.500 -0.044 0.000 2.200 237 R HA -0.126 4.214 4.340 -0.000 0.000 0.234 237 R C 2.048 178.331 176.300 -0.029 0.000 1.127 237 R CA 1.325 57.358 56.100 -0.112 0.000 0.989 237 R CB -0.472 29.642 30.300 -0.310 0.000 0.869 237 R HN 0.542 nan 8.270 nan 0.000 0.459 238 A N 0.473 123.315 122.820 0.038 0.000 2.238 238 A HA 0.075 4.395 4.320 -0.000 0.000 0.208 238 A C 0.878 178.473 177.584 0.018 0.000 1.177 238 A CA 0.151 52.225 52.037 0.061 0.000 0.804 238 A CB -0.050 18.994 19.000 0.073 0.000 0.823 238 A HN 0.135 nan 8.150 nan 0.000 0.482 239 M N 1.546 121.150 119.600 0.007 0.000 2.923 239 M HA 0.159 4.639 4.480 -0.000 0.000 0.311 239 M C -0.860 175.436 176.300 -0.007 0.000 1.376 239 M CA -0.218 55.082 55.300 -0.001 0.000 1.468 239 M CB 0.036 32.641 32.600 0.008 0.000 1.151 239 M HN 0.107 nan 8.290 nan 0.000 0.517 240 D N 3.377 123.769 120.400 -0.013 0.000 2.414 240 D HA 0.316 4.956 4.640 -0.000 0.000 0.232 240 D C -1.985 174.303 176.300 -0.021 0.000 1.070 240 D CA -2.177 51.815 54.000 -0.013 0.000 0.839 240 D CB 1.926 42.722 40.800 -0.006 0.000 1.079 240 D HN 0.083 nan 8.370 nan 0.000 0.521 241 P HA -0.172 nan 4.420 nan 0.000 0.216 241 P C 0.972 178.262 177.300 -0.018 0.000 1.154 241 P CA 1.652 64.743 63.100 -0.016 0.000 0.865 241 P CB 0.228 31.922 31.700 -0.010 0.000 0.789 242 A N -1.182 121.630 122.820 -0.014 0.000 2.067 242 A HA -0.045 4.275 4.320 -0.000 0.000 0.219 242 A C 1.210 178.783 177.584 -0.019 0.000 1.158 242 A CA 1.109 53.139 52.037 -0.012 0.000 0.661 242 A CB -0.837 18.159 19.000 -0.006 0.000 0.801 242 A HN 0.118 nan 8.150 nan 0.000 0.452 243 V N 0.894 120.790 119.914 -0.031 0.000 2.205 243 V HA 0.154 4.274 4.120 -0.000 0.000 0.263 243 V C -1.887 174.155 176.094 -0.086 0.000 1.138 243 V CA -0.853 61.413 62.300 -0.056 0.000 1.059 243 V CB 0.712 32.497 31.823 -0.063 0.000 1.232 243 V HN 0.214 nan 8.190 nan 0.000 0.469 244 P HA -0.121 nan 4.420 nan 0.000 0.215 244 P C 1.498 178.755 177.300 -0.071 0.000 1.157 244 P CA 1.360 64.430 63.100 -0.051 0.000 0.874 244 P CB 0.210 31.894 31.700 -0.027 0.000 0.790 245 N N -1.099 117.550 118.700 -0.084 0.000 2.188 245 N HA -0.124 4.616 4.740 -0.000 0.000 0.184 245 N C 1.727 177.129 175.510 -0.181 0.000 1.018 245 N CA 1.035 54.051 53.050 -0.058 0.000 0.858 245 N CB -0.606 37.927 38.487 0.077 0.000 0.989 245 N HN 0.219 nan 8.380 nan 0.000 0.426 246 M N 0.388 119.691 119.600 -0.495 0.000 2.132 246 M HA -0.087 4.393 4.480 -0.000 0.000 0.263 246 M C 2.247 178.453 176.300 -0.158 0.000 1.065 246 M CA 1.082 56.076 55.300 -0.510 0.000 1.122 246 M CB 0.017 32.259 32.600 -0.596 0.000 1.365 246 M HN 0.038 nan 8.290 nan 0.000 0.411 247 M N 0.513 120.044 119.600 -0.115 0.000 2.082 247 M HA -0.246 4.234 4.480 -0.000 0.000 0.258 247 M C 1.757 178.044 176.300 -0.022 0.000 1.069 247 M CA 1.942 57.214 55.300 -0.047 0.000 1.102 247 M CB -0.275 32.303 32.600 -0.036 0.000 1.336 247 M HN 0.350 nan 8.290 nan 0.000 0.404 248 I N 0.552 121.109 120.570 -0.022 0.000 2.099 248 I HA -0.370 3.800 4.170 -0.000 0.000 0.239 248 I C 2.054 178.185 176.117 0.022 0.000 1.066 248 I CA 1.840 63.142 61.300 0.004 0.000 1.324 248 I CB -0.677 37.330 38.000 0.011 0.000 1.037 248 I HN 0.346 nan 8.210 nan 0.000 0.401 249 D N 0.817 121.242 120.400 0.041 0.000 2.126 249 D HA -0.260 4.380 4.640 -0.000 0.000 0.190 249 D C 2.208 178.541 176.300 0.055 0.000 1.001 249 D CA 1.952 55.993 54.000 0.068 0.000 0.841 249 D CB -0.328 40.553 40.800 0.135 0.000 0.949 249 D HN 0.425 nan 8.370 nan 0.000 0.446 250 A N 1.251 124.097 122.820 0.043 0.000 1.883 250 A HA -0.112 4.208 4.320 -0.000 0.000 0.217 250 A C 2.386 179.992 177.584 0.037 0.000 1.186 250 A CA 2.658 54.720 52.037 0.042 0.000 0.624 250 A CB -0.828 18.192 19.000 0.033 0.000 0.822 250 A HN 0.267 nan 8.150 nan 0.000 0.444 251 A N -0.224 122.613 122.820 0.028 0.000 1.873 251 A HA -0.254 4.066 4.320 -0.000 0.000 0.218 251 A C 2.160 179.763 177.584 0.031 0.000 1.193 251 A CA 2.295 54.348 52.037 0.028 0.000 0.629 251 A CB -0.543 18.468 19.000 0.018 0.000 0.826 251 A HN 0.569 nan 8.150 nan 0.000 0.447 252 K N -1.259 119.159 120.400 0.031 0.000 2.097 252 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 252 K C 1.828 178.449 176.600 0.035 0.000 1.049 252 K CA 1.202 57.508 56.287 0.030 0.000 0.933 252 K CB -0.210 32.308 32.500 0.030 0.000 0.717 252 K HN 0.304 nan 8.250 nan 0.000 0.442 253 L N 1.135 122.383 121.223 0.041 0.000 2.072 253 L HA -0.062 4.278 4.340 -0.000 0.000 0.205 253 L C 1.911 178.807 176.870 0.043 0.000 1.079 253 L CA 1.428 56.296 54.840 0.046 0.000 0.752 253 L CB -0.385 41.707 42.059 0.056 0.000 0.906 253 L HN 0.209 nan 8.230 nan 0.000 0.436 254 L N -1.685 119.563 121.223 0.043 0.000 2.093 254 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 254 L C 2.402 179.297 176.870 0.041 0.000 1.085 254 L CA 1.036 55.902 54.840 0.043 0.000 0.755 254 L CB -0.525 41.561 42.059 0.046 0.000 0.904 254 L HN 0.182 nan 8.230 nan 0.000 0.435 255 S N 0.116 115.839 115.700 0.039 0.000 2.382 255 S HA -0.167 4.303 4.470 -0.000 0.000 0.228 255 S C 2.236 176.854 174.600 0.031 0.000 1.027 255 S CA 1.129 59.350 58.200 0.036 0.000 0.991 255 S CB -0.338 62.881 63.200 0.032 0.000 0.823 255 S HN 0.496 nan 8.310 nan 0.000 0.469 256 A N 1.850 124.688 122.820 0.029 0.000 1.883 256 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 256 A C 2.135 179.732 177.584 0.022 0.000 1.186 256 A CA 1.287 53.339 52.037 0.024 0.000 0.624 256 A CB -0.892 18.123 19.000 0.026 0.000 0.822 256 A HN 0.434 nan 8.150 nan 0.000 0.444 257 L N -0.569 120.669 121.223 0.026 0.000 1.997 257 L HA -0.330 4.010 4.340 -0.000 0.000 0.216 257 L C 2.742 179.622 176.870 0.017 0.000 1.074 257 L CA 1.816 56.669 54.840 0.022 0.000 0.763 257 L CB -0.937 41.139 42.059 0.029 0.000 0.890 257 L HN 0.502 nan 8.230 nan 0.000 0.434 258 C N -0.313 119.001 119.300 0.024 0.000 2.401 258 C HA -0.160 4.300 4.460 -0.000 0.000 0.286 258 C C 2.477 177.469 174.990 0.004 0.000 1.332 258 C CA 0.517 59.546 59.018 0.019 0.000 1.795 258 C CB -0.892 26.870 27.740 0.037 0.000 1.922 258 C HN 0.446 nan 8.230 nan 0.000 0.520 259 I N -0.304 120.271 120.570 0.008 0.000 3.883 259 I HA 0.091 4.261 4.170 -0.000 0.000 0.326 259 I C 0.218 176.334 176.117 -0.001 0.000 1.283 259 I CA 0.023 61.325 61.300 0.004 0.000 1.161 259 I CB -0.084 37.923 38.000 0.012 0.000 1.012 259 I HN 0.156 nan 8.210 nan 0.000 0.421 260 L N 3.080 124.302 121.223 -0.002 0.000 2.418 260 L HA 0.120 4.460 4.340 -0.000 0.000 0.274 260 L C -1.241 175.623 176.870 -0.011 0.000 1.135 260 L CA -0.910 53.927 54.840 -0.004 0.000 0.870 260 L CB 0.124 42.182 42.059 -0.002 0.000 1.154 260 L HN -0.086 nan 8.230 nan 0.000 0.462 261 P HA -0.105 nan 4.420 nan 0.000 0.215 261 P C 1.224 178.516 177.300 -0.013 0.000 1.160 261 P CA 0.714 63.806 63.100 -0.014 0.000 0.869 261 P CB 0.095 31.789 31.700 -0.010 0.000 0.782 262 Q N 0.654 120.449 119.800 -0.009 0.000 2.065 262 Q HA -0.128 4.212 4.340 -0.000 0.000 0.213 262 Q C -1.094 174.900 176.000 -0.009 0.000 1.012 262 Q CA 1.105 56.903 55.803 -0.008 0.000 0.876 262 Q CB -3.071 25.663 28.738 -0.006 0.000 0.954 262 Q HN 0.335 nan 8.270 nan 0.000 0.413 263 P HA 0.142 nan 4.420 nan 0.000 0.297 263 P C -1.199 176.092 177.300 -0.015 0.000 1.319 263 P CA -0.434 62.659 63.100 -0.011 0.000 0.810 263 P CB 1.075 32.769 31.700 -0.009 0.000 0.947 264 E N 1.589 121.779 120.200 -0.017 0.000 2.413 264 E HA 0.041 4.391 4.350 -0.000 0.000 0.263 264 E C -0.555 176.026 176.600 -0.031 0.000 1.015 264 E CA -0.476 55.910 56.400 -0.025 0.000 0.916 264 E CB -0.191 29.496 29.700 -0.022 0.000 0.947 264 E HN 0.323 nan 8.360 nan 0.000 0.440 265 D N 1.812 122.183 120.400 -0.050 0.000 2.723 265 D HA -0.194 4.446 4.640 -0.000 0.000 0.236 265 D C 0.599 176.870 176.300 -0.050 0.000 1.138 265 D CA 0.528 54.486 54.000 -0.070 0.000 0.676 265 D CB -0.677 40.086 40.800 -0.061 0.000 1.069 265 D HN 0.521 nan 8.370 nan 0.000 0.430 266 M N 0.727 120.303 119.600 -0.039 0.000 2.117 266 M HA -0.148 4.332 4.480 -0.000 0.000 0.262 266 M C 2.158 178.454 176.300 -0.006 0.000 1.065 266 M CA 1.693 56.983 55.300 -0.016 0.000 1.114 266 M CB -0.669 31.924 32.600 -0.010 0.000 1.361 266 M HN 0.368 nan 8.290 nan 0.000 0.408 267 N N 0.443 119.127 118.700 -0.026 0.000 2.149 267 N HA -0.218 4.522 4.740 -0.000 0.000 0.188 267 N C 1.301 176.842 175.510 0.052 0.000 1.019 267 N CA 1.655 54.709 53.050 0.007 0.000 0.857 267 N CB -0.874 37.585 38.487 -0.046 0.000 0.997 267 N HN 0.536 nan 8.380 nan 0.000 0.426 268 E N 0.102 120.307 120.200 0.009 0.000 2.152 268 E HA 0.006 4.356 4.350 -0.000 0.000 0.192 268 E C 2.062 178.701 176.600 0.065 0.000 0.983 268 E CA 0.188 56.632 56.400 0.072 0.000 0.818 268 E CB 0.037 29.758 29.700 0.034 0.000 0.758 268 E HN 0.348 nan 8.360 nan 0.000 0.467 269 R N 0.809 121.330 120.500 0.035 0.000 2.082 269 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 269 R C 2.507 178.830 176.300 0.039 0.000 1.136 269 R CA 1.071 57.189 56.100 0.030 0.000 0.935 269 R CB -0.995 29.316 30.300 0.018 0.000 0.842 269 R HN 0.094 nan 8.270 nan 0.000 0.430 270 V N 1.837 121.779 119.914 0.046 0.000 2.278 270 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 270 V C 2.468 178.601 176.094 0.065 0.000 1.062 270 V CA 1.949 64.282 62.300 0.055 0.000 1.038 270 V CB -0.561 31.300 31.823 0.064 0.000 0.646 270 V HN 0.241 nan 8.190 nan 0.000 0.447 271 L N -0.013 121.269 121.223 0.097 0.000 2.083 271 L HA -0.171 4.169 4.340 -0.000 0.000 0.209 271 L C 2.315 179.208 176.870 0.038 0.000 1.083 271 L CA 2.008 56.909 54.840 0.102 0.000 0.752 271 L CB -0.724 41.448 42.059 0.189 0.000 0.899 271 L HN 0.364 nan 8.230 nan 0.000 0.433 272 E N -0.533 119.693 120.200 0.043 0.000 2.097 272 E HA -0.251 4.098 4.350 -0.000 0.000 0.196 272 E C 2.180 178.780 176.600 -0.001 0.000 1.000 272 E CA 1.418 57.828 56.400 0.018 0.000 0.804 272 E CB -0.293 29.422 29.700 0.026 0.000 0.740 272 E HN 0.676 nan 8.360 nan 0.000 0.454 273 A N 0.379 123.202 122.820 0.006 0.000 1.930 273 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 273 A C 2.104 179.676 177.584 -0.020 0.000 1.175 273 A CA 1.336 53.371 52.037 -0.004 0.000 0.627 273 A CB -0.370 18.634 19.000 0.007 0.000 0.815 273 A HN 0.158 nan 8.150 nan 0.000 0.443 274 M N -0.620 118.968 119.600 -0.020 0.000 2.132 274 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 274 M C 2.229 178.476 176.300 -0.089 0.000 1.065 274 M CA 1.912 57.183 55.300 -0.049 0.000 1.122 274 M CB -0.882 31.694 32.600 -0.041 0.000 1.365 274 M HN 0.427 nan 8.290 nan 0.000 0.411 275 T N 0.098 114.598 114.554 -0.091 0.000 2.622 275 T HA -0.218 4.132 4.350 -0.000 0.000 0.266 275 T C 1.640 176.297 174.700 -0.071 0.000 1.047 275 T CA 1.737 63.776 62.100 -0.102 0.000 1.159 275 T CB -0.426 68.397 68.868 -0.076 0.000 0.863 275 T HN 0.461 nan 8.240 nan 0.000 0.422 276 E N 0.663 120.834 120.200 -0.047 0.000 2.035 276 E HA -0.278 4.072 4.350 -0.000 0.000 0.204 276 E C 2.475 179.049 176.600 -0.044 0.000 1.025 276 E CA 1.493 57.871 56.400 -0.037 0.000 0.835 276 E CB -0.091 29.593 29.700 -0.026 0.000 0.764 276 E HN 0.161 nan 8.360 nan 0.000 0.457 277 R N 0.261 120.731 120.500 -0.050 0.000 2.117 277 R HA -0.159 4.181 4.340 -0.000 0.000 0.243 277 R C 1.946 178.212 176.300 -0.057 0.000 1.143 277 R CA 1.671 57.738 56.100 -0.056 0.000 0.968 277 R CB -0.512 29.751 30.300 -0.062 0.000 0.863 277 R HN 0.244 nan 8.270 nan 0.000 0.444 278 A N 0.285 123.065 122.820 -0.067 0.000 1.898 278 A HA -0.123 4.197 4.320 -0.000 0.000 0.216 278 A C 1.939 179.491 177.584 -0.055 0.000 1.181 278 A CA 1.524 53.519 52.037 -0.070 0.000 0.620 278 A CB -0.438 18.500 19.000 -0.104 0.000 0.819 278 A HN 0.508 nan 8.150 nan 0.000 0.442 279 E N -1.194 118.976 120.200 -0.050 0.000 2.153 279 E HA -0.210 4.140 4.350 -0.000 0.000 0.194 279 E C 1.842 178.424 176.600 -0.029 0.000 0.988 279 E CA 1.413 57.792 56.400 -0.035 0.000 0.811 279 E CB -0.207 29.475 29.700 -0.029 0.000 0.746 279 E HN 0.609 nan 8.360 nan 0.000 0.466 280 M N 0.624 120.204 119.600 -0.034 0.000 2.374 280 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 280 M C 0.201 176.483 176.300 -0.030 0.000 1.067 280 M CA 1.026 56.308 55.300 -0.031 0.000 1.103 280 M CB 0.448 33.026 32.600 -0.038 0.000 1.402 280 M HN -0.081 nan 8.290 nan 0.000 0.444 281 D N -1.062 119.319 120.400 -0.032 0.000 2.621 281 D HA 0.151 4.791 4.640 -0.000 0.000 0.255 281 D C -0.584 175.702 176.300 -0.023 0.000 1.122 281 D CA -0.440 53.544 54.000 -0.027 0.000 1.096 281 D CB 0.742 41.525 40.800 -0.029 0.000 1.282 281 D HN 0.030 nan 8.370 nan 0.000 0.619 282 E N 0.620 120.809 120.200 -0.018 0.000 2.341 282 E HA 0.324 4.674 4.350 -0.000 0.000 0.279 282 E C -0.998 175.592 176.600 -0.017 0.000 1.395 282 E CA -0.172 56.219 56.400 -0.015 0.000 1.648 282 E CB 0.568 30.263 29.700 -0.009 0.000 1.524 282 E HN 0.020 nan 8.360 nan 0.000 0.462 283 V N 1.060 120.959 119.914 -0.025 0.000 3.049 283 V HA 0.158 4.278 4.120 -0.000 0.000 0.309 283 V C -0.513 175.555 176.094 -0.043 0.000 1.148 283 V CA -0.980 61.303 62.300 -0.028 0.000 0.990 283 V CB 2.637 34.444 31.823 -0.027 0.000 1.039 283 V HN 0.261 nan 8.190 nan 0.000 0.430 284 E N 2.118 122.294 120.200 -0.039 0.000 2.313 284 E HA 0.240 4.590 4.350 -0.000 0.000 0.276 284 E C 1.304 177.841 176.600 -0.105 0.000 1.031 284 E CA -0.156 56.208 56.400 -0.061 0.000 0.857 284 E CB 0.891 30.579 29.700 -0.020 0.000 1.040 284 E HN 0.568 nan 8.360 nan 0.000 0.408 285 R N 3.850 124.219 120.500 -0.219 0.000 2.152 285 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 285 R C 0.596 176.696 176.300 -0.333 0.000 1.117 285 R CA 1.350 57.254 56.100 -0.326 0.000 0.981 285 R CB -0.242 29.782 30.300 -0.460 0.000 0.870 285 R HN 0.509 nan 8.270 nan 0.000 0.451 286 F N 0.935 120.875 119.950 -0.017 0.000 2.645 286 F HA 0.207 4.734 4.527 -0.000 0.000 0.300 286 F C 2.026 177.816 175.800 -0.018 0.000 1.115 286 F CA -0.732 57.258 58.000 -0.017 0.000 1.355 286 F CB 0.347 39.337 39.000 -0.016 0.000 1.026 286 F HN 0.016 nan 8.300 nan 0.000 0.536 287 Q N 2.086 121.935 119.800 0.081 0.000 2.030 287 Q HA -0.129 4.211 4.340 -0.000 0.000 0.204 287 Q C -0.716 175.313 176.000 0.048 0.000 0.986 287 Q CA 2.140 57.974 55.803 0.053 0.000 0.843 287 Q CB -1.396 27.350 28.738 0.014 0.000 0.904 287 Q HN 0.168 nan 8.270 nan 0.000 0.420 288 P HA -0.103 nan 4.420 nan 0.000 0.218 288 P C 1.018 178.338 177.300 0.034 0.000 1.149 288 P CA 1.051 64.166 63.100 0.026 0.000 0.817 288 P CB -0.070 31.641 31.700 0.018 0.000 0.785 289 L N -1.346 119.916 121.223 0.065 0.000 2.005 289 L HA -0.154 4.186 4.340 -0.000 0.000 0.207 289 L C 2.408 179.283 176.870 0.008 0.000 1.072 289 L CA 1.423 56.288 54.840 0.041 0.000 0.744 289 L CB -1.208 40.889 42.059 0.063 0.000 0.895 289 L HN -0.072 nan 8.230 nan 0.000 0.433 290 L N -0.455 120.783 121.223 0.025 0.000 2.127 290 L HA -0.251 4.089 4.340 -0.000 0.000 0.211 290 L C 2.090 178.956 176.870 -0.006 0.000 1.089 290 L CA 1.028 55.867 54.840 -0.001 0.000 0.757 290 L CB -0.703 41.367 42.059 0.019 0.000 0.899 290 L HN 0.259 nan 8.230 nan 0.000 0.434 291 D N 0.111 120.514 120.400 0.004 0.000 2.178 291 D HA -0.101 4.539 4.640 -0.000 0.000 0.202 291 D C 2.168 178.462 176.300 -0.010 0.000 0.974 291 D CA 1.394 55.393 54.000 -0.002 0.000 0.841 291 D CB -0.126 40.675 40.800 0.002 0.000 0.953 291 D HN 0.341 nan 8.370 nan 0.000 0.478 292 G N -0.315 108.477 108.800 -0.013 0.000 2.683 292 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.213 292 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.213 292 G C 1.585 176.468 174.900 -0.029 0.000 1.142 292 G CA -0.084 45.005 45.100 -0.019 0.000 0.793 292 G HN 0.236 nan 8.290 nan 0.000 0.534 293 L N -0.173 121.027 121.223 -0.038 0.000 2.270 293 L HA 0.164 4.504 4.340 -0.000 0.000 0.210 293 L C 1.283 178.127 176.870 -0.043 0.000 1.104 293 L CA 0.135 54.943 54.840 -0.052 0.000 0.804 293 L CB -0.186 41.827 42.059 -0.076 0.000 0.937 293 L HN 0.018 nan 8.230 nan 0.000 0.450 294 K N 1.253 121.634 120.400 -0.032 0.000 2.611 294 K HA -0.071 4.249 4.320 -0.000 0.000 0.280 294 K C 0.742 177.327 176.600 -0.025 0.000 0.964 294 K CA 0.159 56.430 56.287 -0.026 0.000 1.029 294 K CB 0.240 32.729 32.500 -0.017 0.000 0.862 294 K HN 0.166 nan 8.250 nan 0.000 0.501 295 S N 0.889 116.575 115.700 -0.023 0.000 2.585 295 S HA 0.351 4.821 4.470 -0.000 0.000 0.273 295 S C 1.070 175.660 174.600 -0.017 0.000 1.339 295 S CA 0.100 58.287 58.200 -0.022 0.000 1.028 295 S CB 1.162 64.349 63.200 -0.022 0.000 0.906 295 S HN 0.920 nan 8.310 nan 0.000 0.528 296 G N 1.322 110.113 108.800 -0.016 0.000 2.176 296 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.253 296 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.253 296 G C 0.231 175.123 174.900 -0.012 0.000 0.979 296 G CA 0.404 45.496 45.100 -0.013 0.000 0.641 296 G HN 1.758 nan 8.290 nan 0.000 0.530 297 T N -0.461 114.084 114.554 -0.015 0.000 2.882 297 T HA 0.650 5.000 4.350 -0.000 0.000 0.287 297 T C 0.859 175.550 174.700 -0.014 0.000 0.992 297 T CA 0.666 62.757 62.100 -0.014 0.000 1.076 297 T CB 1.599 70.457 68.868 -0.017 0.000 0.961 297 T HN 1.784 nan 8.240 nan 0.000 0.490 298 S N 3.095 118.788 115.700 -0.012 0.000 2.599 298 S HA -0.037 4.433 4.470 -0.000 0.000 0.303 298 S C 1.330 175.922 174.600 -0.013 0.000 1.267 298 S CA -0.585 57.609 58.200 -0.010 0.000 1.055 298 S CB -0.428 62.769 63.200 -0.006 0.000 0.790 298 S HN 0.603 nan 8.310 nan 0.000 0.500 299 I N 3.611 124.173 120.570 -0.012 0.000 2.185 299 I HA -0.236 3.934 4.170 -0.000 0.000 0.246 299 I C 2.775 178.884 176.117 -0.014 0.000 1.088 299 I CA 2.183 63.474 61.300 -0.015 0.000 1.347 299 I CB -1.276 36.716 38.000 -0.012 0.000 1.041 299 I HN 0.918 nan 8.210 nan 0.000 0.415 300 A N 0.022 122.837 122.820 -0.008 0.000 1.917 300 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 300 A C 2.266 179.845 177.584 -0.009 0.000 1.182 300 A CA 1.980 54.014 52.037 -0.005 0.000 0.633 300 A CB -0.980 18.021 19.000 0.001 0.000 0.819 300 A HN 0.406 nan 8.150 nan 0.000 0.448 301 L N -0.158 121.058 121.223 -0.011 0.000 2.017 301 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 301 L C 2.197 179.054 176.870 -0.022 0.000 1.073 301 L CA 2.368 57.198 54.840 -0.015 0.000 0.745 301 L CB -0.829 41.220 42.059 -0.017 0.000 0.894 301 L HN 0.390 nan 8.230 nan 0.000 0.432 302 K N -1.070 119.313 120.400 -0.027 0.000 2.044 302 K HA -0.189 4.131 4.320 -0.000 0.000 0.210 302 K C 1.956 178.530 176.600 -0.043 0.000 1.049 302 K CA 1.906 58.169 56.287 -0.040 0.000 0.927 302 K CB -0.594 31.881 32.500 -0.042 0.000 0.713 302 K HN 0.256 nan 8.250 nan 0.000 0.443 303 V N 0.754 120.649 119.914 -0.032 0.000 2.255 303 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 303 V C 2.361 178.439 176.094 -0.026 0.000 1.051 303 V CA 2.333 64.616 62.300 -0.028 0.000 1.018 303 V CB -0.980 30.833 31.823 -0.016 0.000 0.641 303 V HN 0.585 nan 8.190 nan 0.000 0.445 304 G N -1.887 106.903 108.800 -0.017 0.000 2.443 304 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 304 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 304 G C 1.680 176.570 174.900 -0.016 0.000 1.131 304 G CA 1.059 46.153 45.100 -0.009 0.000 0.775 304 G HN 0.526 nan 8.290 nan 0.000 0.547 305 C N -0.027 119.256 119.300 -0.028 0.000 2.442 305 C HA 0.034 4.494 4.460 -0.000 0.000 0.279 305 C C 2.701 177.651 174.990 -0.067 0.000 1.237 305 C CA 0.572 59.566 59.018 -0.039 0.000 1.722 305 C CB -1.011 26.700 27.740 -0.048 0.000 2.056 305 C HN 0.448 nan 8.230 nan 0.000 0.469 306 L N 0.656 121.823 121.223 -0.093 0.000 2.131 306 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 306 L C 2.781 179.608 176.870 -0.073 0.000 1.092 306 L CA 1.686 56.445 54.840 -0.135 0.000 0.759 306 L CB -0.715 41.257 42.059 -0.145 0.000 0.903 306 L HN 0.565 nan 8.230 nan 0.000 0.435 307 Q N -0.150 119.630 119.800 -0.034 0.000 2.181 307 Q HA -0.253 4.087 4.340 -0.000 0.000 0.205 307 Q C 2.271 178.278 176.000 0.011 0.000 0.980 307 Q CA 1.493 57.295 55.803 -0.002 0.000 0.862 307 Q CB -0.030 28.711 28.738 0.004 0.000 0.905 307 Q HN 0.574 nan 8.270 nan 0.000 0.429 308 L N 0.131 121.357 121.223 0.003 0.000 2.131 308 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 308 L C 2.181 179.069 176.870 0.030 0.000 1.087 308 L CA 0.534 55.390 54.840 0.026 0.000 0.767 308 L CB -0.103 41.975 42.059 0.033 0.000 0.917 308 L HN 0.355 nan 8.230 nan 0.000 0.441 309 I N 0.232 120.791 120.570 -0.018 0.000 2.127 309 I HA -0.361 3.809 4.170 -0.000 0.000 0.241 309 I C 2.123 178.273 176.117 0.055 0.000 1.075 309 I CA 1.350 62.621 61.300 -0.048 0.000 1.334 309 I CB -0.507 37.383 38.000 -0.182 0.000 1.040 309 I HN 0.352 nan 8.210 nan 0.000 0.405 310 N N 1.097 119.843 118.700 0.077 0.000 2.149 310 N HA -0.149 4.591 4.740 -0.000 0.000 0.188 310 N C 1.841 177.411 175.510 0.100 0.000 1.019 310 N CA 1.660 54.789 53.050 0.131 0.000 0.857 310 N CB -0.452 38.106 38.487 0.118 0.000 0.997 310 N HN 0.393 nan 8.380 nan 0.000 0.426 311 A N 0.781 123.646 122.820 0.074 0.000 1.969 311 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 311 A C 2.329 179.962 177.584 0.081 0.000 1.169 311 A CA 0.764 52.839 52.037 0.065 0.000 0.635 311 A CB -0.608 18.423 19.000 0.052 0.000 0.810 311 A HN 0.220 nan 8.150 nan 0.000 0.445 312 L N -1.158 120.134 121.223 0.115 0.000 2.201 312 L HA -0.082 4.258 4.340 -0.000 0.000 0.212 312 L C 2.237 179.254 176.870 0.245 0.000 1.105 312 L CA 0.971 55.919 54.840 0.181 0.000 0.775 312 L CB -0.194 42.000 42.059 0.225 0.000 0.913 312 L HN 0.390 nan 8.230 nan 0.000 0.440 313 I N -1.981 118.714 120.570 0.208 0.000 2.947 313 I HA -0.129 4.041 4.170 -0.000 0.000 0.263 313 I C 2.344 178.540 176.117 0.131 0.000 1.130 313 I CA 0.455 61.899 61.300 0.240 0.000 1.448 313 I CB -0.050 38.080 38.000 0.217 0.000 1.222 313 I HN 0.047 nan 8.210 nan 0.000 0.453 314 T N 2.372 116.982 114.554 0.092 0.000 2.597 314 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 314 T C -0.653 174.056 174.700 0.016 0.000 1.053 314 T CA 1.897 64.029 62.100 0.052 0.000 1.165 314 T CB -1.496 67.400 68.868 0.046 0.000 0.863 314 T HN 0.261 nan 8.240 nan 0.000 0.427 315 P HA 0.257 nan 4.420 nan 0.000 0.242 315 P C -0.186 177.059 177.300 -0.092 0.000 1.197 315 P CA 0.314 63.390 63.100 -0.040 0.000 0.765 315 P CB -0.250 31.426 31.700 -0.040 0.000 0.936 316 A N 0.908 123.653 122.820 -0.126 0.000 2.409 316 A HA 0.162 4.482 4.320 -0.000 0.000 0.267 316 A C 1.002 178.512 177.584 -0.122 0.000 1.127 316 A CA -0.234 51.659 52.037 -0.241 0.000 0.795 316 A CB 0.345 19.104 19.000 -0.401 0.000 1.061 316 A HN -0.063 nan 8.150 nan 0.000 0.502 317 E N 1.579 121.708 120.200 -0.119 0.000 2.216 317 E HA -0.049 4.301 4.350 -0.000 0.000 0.192 317 E C -0.057 176.525 176.600 -0.029 0.000 0.988 317 E CA 0.903 57.269 56.400 -0.057 0.000 0.834 317 E CB 0.055 29.726 29.700 -0.049 0.000 0.772 317 E HN 0.797 nan 8.360 nan 0.000 0.479 318 E N 1.250 121.437 120.200 -0.022 0.000 2.130 318 E HA 0.085 4.435 4.350 -0.000 0.000 0.284 318 E C 0.694 177.336 176.600 0.069 0.000 1.018 318 E CA -0.247 56.173 56.400 0.032 0.000 0.817 318 E CB 1.090 30.829 29.700 0.066 0.000 1.078 318 E HN 0.090 nan 8.360 nan 0.000 0.396 319 L N 3.619 124.859 121.223 0.028 0.000 2.034 319 L HA -0.312 4.028 4.340 -0.000 0.000 0.217 319 L C 1.283 178.165 176.870 0.020 0.000 1.077 319 L CA 1.807 56.646 54.840 -0.003 0.000 0.769 319 L CB -0.123 41.909 42.059 -0.046 0.000 0.890 319 L HN 0.649 nan 8.230 nan 0.000 0.435 320 D N -0.651 119.780 120.400 0.051 0.000 2.116 320 D HA -0.275 4.365 4.640 -0.000 0.000 0.193 320 D C 1.881 178.284 176.300 0.171 0.000 0.998 320 D CA 1.562 55.608 54.000 0.077 0.000 0.836 320 D CB -0.435 40.417 40.800 0.088 0.000 0.951 320 D HN 0.394 nan 8.370 nan 0.000 0.449 321 F N 1.372 121.359 119.950 0.062 0.000 2.126 321 F HA -0.172 4.355 4.527 -0.000 0.000 0.299 321 F C 2.486 178.335 175.800 0.081 0.000 1.096 321 F CA 1.425 59.477 58.000 0.087 0.000 1.255 321 F CB 0.107 39.137 39.000 0.050 0.000 0.997 321 F HN -0.192 nan 8.300 nan 0.000 0.479 322 R N -0.108 120.608 120.500 0.360 0.000 2.075 322 R HA -0.123 4.217 4.340 -0.000 0.000 0.232 322 R C 2.370 178.719 176.300 0.082 0.000 1.126 322 R CA 1.696 57.939 56.100 0.238 0.000 0.963 322 R CB -0.651 29.738 30.300 0.148 0.000 0.858 322 R HN 0.450 nan 8.270 nan 0.000 0.435 323 V N -1.522 118.374 119.914 -0.031 0.000 2.548 323 V HA -0.201 3.919 4.120 -0.000 0.000 0.249 323 V C 2.029 178.207 176.094 0.140 0.000 1.055 323 V CA 1.882 64.121 62.300 -0.103 0.000 1.065 323 V CB -0.671 30.898 31.823 -0.423 0.000 0.681 323 V HN 0.381 nan 8.190 nan 0.000 0.462 324 H N 1.168 120.226 119.070 -0.020 0.000 2.253 324 H HA -0.185 4.371 4.556 -0.000 0.000 0.296 324 H C 2.323 177.635 175.328 -0.027 0.000 1.067 324 H CA 2.591 58.620 56.048 -0.031 0.000 1.245 324 H CB -0.025 29.674 29.762 -0.104 0.000 1.364 324 H HN 0.575 nan 8.280 nan 0.000 0.494 325 I N -0.205 120.312 120.570 -0.089 0.000 2.394 325 I HA -0.132 4.038 4.170 -0.000 0.000 0.251 325 I C 2.564 178.704 176.117 0.038 0.000 1.136 325 I CA 1.252 62.472 61.300 -0.134 0.000 1.425 325 I CB -0.547 37.275 38.000 -0.297 0.000 1.079 325 I HN 0.154 nan 8.210 nan 0.000 0.425 326 R N 1.007 121.574 120.500 0.112 0.000 2.094 326 R HA -0.186 4.154 4.340 -0.000 0.000 0.239 326 R C 2.300 178.721 176.300 0.203 0.000 1.137 326 R CA 2.343 58.557 56.100 0.190 0.000 0.943 326 R CB -0.419 30.045 30.300 0.274 0.000 0.850 326 R HN 0.552 nan 8.270 nan 0.000 0.433 327 S N 0.423 116.272 115.700 0.248 0.000 2.382 327 S HA -0.200 4.270 4.470 -0.000 0.000 0.228 327 S C 1.687 176.399 174.600 0.187 0.000 1.027 327 S CA 1.494 59.825 58.200 0.218 0.000 0.991 327 S CB -0.282 63.057 63.200 0.232 0.000 0.823 327 S HN 0.480 nan 8.310 nan 0.000 0.469 328 E N 0.895 121.228 120.200 0.221 0.000 2.070 328 E HA -0.194 4.156 4.350 -0.000 0.000 0.197 328 E C 1.730 178.450 176.600 0.199 0.000 1.004 328 E CA 1.146 57.683 56.400 0.229 0.000 0.805 328 E CB -0.084 29.799 29.700 0.305 0.000 0.744 328 E HN 0.245 nan 8.360 nan 0.000 0.451 329 L N 0.154 121.455 121.223 0.131 0.000 2.093 329 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 329 L C 2.491 179.412 176.870 0.086 0.000 1.085 329 L CA 1.409 56.279 54.840 0.051 0.000 0.755 329 L CB -1.064 40.932 42.059 -0.104 0.000 0.904 329 L HN 0.359 nan 8.230 nan 0.000 0.435 330 M N -0.935 118.735 119.600 0.116 0.000 2.175 330 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 330 M C 2.260 178.618 176.300 0.097 0.000 1.063 330 M CA 1.275 56.648 55.300 0.122 0.000 1.119 330 M CB -0.493 32.187 32.600 0.135 0.000 1.377 330 M HN -0.013 nan 8.290 nan 0.000 0.415 331 R N 0.341 120.900 120.500 0.099 0.000 2.103 331 R HA -0.104 4.236 4.340 -0.000 0.000 0.242 331 R C 1.615 177.958 176.300 0.072 0.000 1.142 331 R CA 1.531 57.680 56.100 0.081 0.000 0.960 331 R CB -1.096 29.256 30.300 0.087 0.000 0.858 331 R HN 0.432 nan 8.270 nan 0.000 0.439 332 L N -0.445 120.828 121.223 0.083 0.000 2.627 332 L HA 0.165 4.505 4.340 -0.000 0.000 0.232 332 L C 1.047 177.950 176.870 0.055 0.000 1.150 332 L CA 0.552 55.435 54.840 0.072 0.000 0.917 332 L CB 0.124 42.241 42.059 0.097 0.000 1.104 332 L HN 0.443 nan 8.230 nan 0.000 0.445 333 G N -0.158 108.675 108.800 0.056 0.000 2.131 333 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.223 333 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.223 333 G C 0.641 175.567 174.900 0.044 0.000 0.990 333 G CA 0.227 45.356 45.100 0.048 0.000 0.671 333 G HN 0.243 nan 8.290 nan 0.000 0.521 334 L N 0.521 121.770 121.223 0.045 0.000 2.079 334 L HA 0.035 4.375 4.340 -0.000 0.000 0.210 334 L C 2.324 179.207 176.870 0.021 0.000 1.081 334 L CA 3.209 58.051 54.840 0.003 0.000 0.752 334 L CB -0.645 41.402 42.059 -0.019 0.000 0.896 334 L HN 0.572 nan 8.230 nan 0.000 0.433 335 H N -1.534 117.536 119.070 0.000 0.000 2.319 335 H HA -0.180 4.376 4.556 -0.000 0.000 0.299 335 H C 2.202 177.509 175.328 -0.035 0.000 1.092 335 H CA 2.045 58.088 56.048 -0.008 0.000 1.302 335 H CB 0.144 29.882 29.762 -0.040 0.000 1.373 335 H HN 0.308 nan 8.280 nan 0.000 0.497 336 Q N 0.194 120.036 119.800 0.070 0.000 2.084 336 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 336 Q C 2.690 178.652 176.000 -0.063 0.000 0.978 336 Q CA 1.520 57.327 55.803 0.005 0.000 0.844 336 Q CB -0.610 28.150 28.738 0.036 0.000 0.898 336 Q HN 0.625 nan 8.270 nan 0.000 0.426 337 V N -2.154 117.724 119.914 -0.059 0.000 2.759 337 V HA -0.147 3.973 4.120 -0.000 0.000 0.256 337 V C 2.047 178.075 176.094 -0.109 0.000 1.080 337 V CA 0.943 63.199 62.300 -0.073 0.000 1.101 337 V CB -0.591 31.194 31.823 -0.064 0.000 0.698 337 V HN 0.094 nan 8.190 nan 0.000 0.477 338 L N 0.195 121.326 121.223 -0.153 0.000 2.093 338 L HA -0.033 4.307 4.340 -0.000 0.000 0.208 338 L C 2.721 179.491 176.870 -0.167 0.000 1.085 338 L CA 1.688 56.423 54.840 -0.175 0.000 0.755 338 L CB -1.197 40.741 42.059 -0.203 0.000 0.904 338 L HN 0.315 nan 8.230 nan 0.000 0.435 339 Q N 0.131 119.810 119.800 -0.202 0.000 2.077 339 Q HA -0.240 4.100 4.340 -0.000 0.000 0.206 339 Q C 2.032 177.977 176.000 -0.090 0.000 0.989 339 Q CA 1.901 57.612 55.803 -0.154 0.000 0.853 339 Q CB -0.366 28.289 28.738 -0.137 0.000 0.907 339 Q HN 0.604 nan 8.270 nan 0.000 0.418 340 E N -0.126 120.030 120.200 -0.074 0.000 2.435 340 E HA 0.030 4.380 4.350 -0.000 0.000 0.195 340 E C 1.899 178.469 176.600 -0.049 0.000 1.029 340 E CA 0.135 56.504 56.400 -0.052 0.000 0.865 340 E CB -0.209 29.467 29.700 -0.040 0.000 0.833 340 E HN 0.240 nan 8.360 nan 0.000 0.510 341 L N 0.472 121.659 121.223 -0.060 0.000 2.141 341 L HA -0.035 4.305 4.340 -0.000 0.000 0.209 341 L C 1.878 178.721 176.870 -0.045 0.000 1.094 341 L CA 0.942 55.750 54.840 -0.054 0.000 0.763 341 L CB -0.300 41.718 42.059 -0.068 0.000 0.908 341 L HN 0.076 nan 8.230 nan 0.000 0.437 342 R N 0.008 120.479 120.500 -0.049 0.000 2.366 342 R HA -0.123 4.217 4.340 -0.000 0.000 0.201 342 R C 1.156 177.440 176.300 -0.026 0.000 1.057 342 R CA 0.385 56.463 56.100 -0.036 0.000 1.086 342 R CB -0.034 30.241 30.300 -0.041 0.000 0.914 342 R HN 0.203 nan 8.270 nan 0.000 0.476 343 E N 0.020 120.204 120.200 -0.026 0.000 2.606 343 E HA 0.163 4.513 4.350 -0.000 0.000 0.224 343 E C -0.324 176.266 176.600 -0.017 0.000 0.930 343 E CA -0.072 56.316 56.400 -0.020 0.000 1.125 343 E CB 0.580 30.268 29.700 -0.020 0.000 1.123 343 E HN 0.111 nan 8.360 nan 0.000 0.522 344 I N 3.222 123.781 120.570 -0.020 0.000 2.581 344 I HA 0.003 4.173 4.170 -0.000 0.000 0.285 344 I C 0.264 176.373 176.117 -0.013 0.000 1.129 344 I CA 0.329 61.619 61.300 -0.017 0.000 1.397 344 I CB 0.682 38.670 38.000 -0.020 0.000 1.399 344 I HN -0.013 nan 8.210 nan 0.000 0.537 345 E N 6.780 126.974 120.200 -0.011 0.000 1.999 345 E HA 0.029 4.379 4.350 -0.000 0.000 0.296 345 E C -0.429 176.166 176.600 -0.007 0.000 1.187 345 E CA -0.003 56.392 56.400 -0.008 0.000 1.229 345 E CB -0.372 29.324 29.700 -0.007 0.000 1.131 345 E HN 0.453 nan 8.360 nan 0.000 0.478 346 N N 2.441 121.137 118.700 -0.008 0.000 2.461 346 N HA 0.000 4.740 4.740 -0.000 0.000 0.284 346 N C 0.702 176.209 175.510 -0.005 0.000 1.049 346 N CA -0.232 52.814 53.050 -0.007 0.000 0.889 346 N CB 1.273 39.755 38.487 -0.009 0.000 1.365 346 N HN -0.014 nan 8.380 nan 0.000 0.499 347 E N 2.401 122.600 120.200 -0.003 0.000 2.097 347 E HA -0.203 4.146 4.350 -0.000 0.000 0.196 347 E C 0.399 176.999 176.600 0.000 0.000 1.000 347 E CA 1.593 57.993 56.400 -0.001 0.000 0.804 347 E CB 0.123 29.823 29.700 -0.000 0.000 0.740 347 E HN 0.638 nan 8.360 nan 0.000 0.454 348 D N 0.405 120.805 120.400 -0.001 0.000 2.084 348 D HA -0.101 4.539 4.640 -0.000 0.000 0.196 348 D C 1.998 178.297 176.300 -0.002 0.000 0.985 348 D CA 0.898 54.898 54.000 0.000 0.000 0.826 348 D CB -0.307 40.492 40.800 -0.000 0.000 0.978 348 D HN 0.066 nan 8.370 nan 0.000 0.456 349 M N 1.238 120.833 119.600 -0.007 0.000 2.106 349 M HA -0.178 4.302 4.480 -0.000 0.000 0.259 349 M C 1.794 178.089 176.300 -0.007 0.000 1.068 349 M CA 1.652 56.944 55.300 -0.013 0.000 1.100 349 M CB -0.156 32.433 32.600 -0.020 0.000 1.351 349 M HN -0.209 nan 8.290 nan 0.000 0.404 350 K N -1.211 119.187 120.400 -0.003 0.000 2.063 350 K HA -0.141 4.179 4.320 -0.000 0.000 0.208 350 K C 1.842 178.449 176.600 0.011 0.000 1.048 350 K CA 1.621 57.910 56.287 0.002 0.000 0.928 350 K CB -0.417 32.083 32.500 0.001 0.000 0.713 350 K HN 0.249 nan 8.250 nan 0.000 0.442 351 V N 1.235 121.156 119.914 0.011 0.000 2.358 351 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 351 V C 2.236 178.349 176.094 0.031 0.000 1.047 351 V CA 1.589 63.900 62.300 0.019 0.000 1.035 351 V CB -0.250 31.582 31.823 0.015 0.000 0.658 351 V HN 0.382 nan 8.190 nan 0.000 0.452 352 Q N -0.582 119.234 119.800 0.027 0.000 2.119 352 Q HA -0.090 4.250 4.340 -0.000 0.000 0.201 352 Q C 2.240 178.286 176.000 0.077 0.000 0.972 352 Q CA 1.367 57.195 55.803 0.041 0.000 0.847 352 Q CB -0.384 28.359 28.738 0.008 0.000 0.903 352 Q HN 0.533 nan 8.270 nan 0.000 0.433 353 L N -0.155 121.101 121.223 0.055 0.000 2.017 353 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 353 L C 2.716 179.656 176.870 0.117 0.000 1.073 353 L CA 1.060 55.955 54.840 0.091 0.000 0.745 353 L CB -0.669 41.414 42.059 0.040 0.000 0.894 353 L HN 0.217 nan 8.230 nan 0.000 0.432 354 C N -1.055 118.287 119.300 0.070 0.000 2.413 354 C HA -0.145 4.315 4.460 -0.000 0.000 0.276 354 C C 2.851 177.880 174.990 0.066 0.000 1.248 354 C CA 0.549 59.600 59.018 0.054 0.000 1.742 354 C CB -0.589 27.170 27.740 0.032 0.000 2.017 354 C HN 0.351 nan 8.230 nan 0.000 0.481 355 V N 0.050 120.014 119.914 0.084 0.000 2.295 355 V HA -0.209 3.911 4.120 -0.000 0.000 0.246 355 V C 2.064 178.228 176.094 0.116 0.000 1.049 355 V CA 2.246 64.597 62.300 0.085 0.000 1.024 355 V CB -0.794 31.081 31.823 0.087 0.000 0.648 355 V HN 0.499 nan 8.190 nan 0.000 0.447 356 F N 1.601 121.558 119.950 0.012 0.000 2.046 356 F HA -0.231 4.296 4.527 -0.000 0.000 0.297 356 F C 2.325 178.141 175.800 0.027 0.000 1.123 356 F CA 2.242 60.252 58.000 0.017 0.000 1.199 356 F CB -0.613 38.387 39.000 -0.000 0.000 0.972 356 F HN 0.244 nan 8.300 nan 0.000 0.474 357 D N 0.057 120.481 120.400 0.040 0.000 2.106 357 D HA -0.255 4.385 4.640 -0.000 0.000 0.191 357 D C 2.126 178.367 176.300 -0.098 0.000 0.997 357 D CA 1.866 55.831 54.000 -0.059 0.000 0.834 357 D CB -0.687 40.128 40.800 0.025 0.000 0.956 357 D HN 0.389 nan 8.370 nan 0.000 0.448 358 E N 0.422 120.597 120.200 -0.043 0.000 2.153 358 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 358 E C 1.892 178.470 176.600 -0.036 0.000 0.988 358 E CA 0.998 57.379 56.400 -0.032 0.000 0.811 358 E CB -0.119 29.573 29.700 -0.012 0.000 0.746 358 E HN 0.018 nan 8.360 nan 0.000 0.466 359 Q N -0.222 119.540 119.800 -0.063 0.000 2.124 359 Q HA -0.046 4.293 4.340 -0.000 0.000 0.202 359 Q C 2.012 177.993 176.000 -0.031 0.000 0.977 359 Q CA 2.090 57.863 55.803 -0.050 0.000 0.850 359 Q CB -0.971 27.718 28.738 -0.082 0.000 0.901 359 Q HN 0.354 nan 8.270 nan 0.000 0.429 360 G N -0.168 108.564 108.800 -0.112 0.000 2.404 360 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.215 360 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.215 360 G C 0.985 175.964 174.900 0.132 0.000 1.174 360 G CA 0.923 46.016 45.100 -0.011 0.000 0.780 360 G HN 0.389 nan 8.290 nan 0.000 0.537 361 D N 0.532 120.954 120.400 0.036 0.000 2.117 361 D HA -0.030 4.610 4.640 -0.000 0.000 0.197 361 D C 2.459 178.848 176.300 0.147 0.000 0.987 361 D CA 0.972 55.010 54.000 0.063 0.000 0.829 361 D CB -0.169 40.630 40.800 -0.002 0.000 0.961 361 D HN 0.457 nan 8.370 nan 0.000 0.460 362 E N 0.385 120.648 120.200 0.105 0.000 2.008 362 E HA -0.136 4.214 4.350 -0.000 0.000 0.191 362 E C 1.650 178.345 176.600 0.159 0.000 0.986 362 E CA 0.904 57.380 56.400 0.128 0.000 0.807 362 E CB -0.056 29.679 29.700 0.059 0.000 0.766 362 E HN 0.144 nan 8.360 nan 0.000 0.450 363 D N 0.309 120.761 120.400 0.087 0.000 2.192 363 D HA -0.214 4.426 4.640 -0.000 0.000 0.189 363 D C 1.639 177.875 176.300 -0.108 0.000 1.007 363 D CA 1.446 55.424 54.000 -0.037 0.000 0.859 363 D CB -0.370 40.377 40.800 -0.088 0.000 0.936 363 D HN 0.130 nan 8.370 nan 0.000 0.447 364 F N -1.026 118.950 119.950 0.044 0.000 2.473 364 F HA 0.099 4.626 4.527 -0.000 0.000 0.294 364 F C 1.951 177.786 175.800 0.057 0.000 1.103 364 F CA -0.123 57.896 58.000 0.031 0.000 1.442 364 F CB -0.386 38.616 39.000 0.004 0.000 1.097 364 F HN -0.106 nan 8.300 nan 0.000 0.547 365 F N 1.316 121.330 119.950 0.107 0.000 2.202 365 F HA -0.215 4.312 4.527 -0.000 0.000 0.301 365 F C 1.804 177.614 175.800 0.016 0.000 1.082 365 F CA 1.642 59.670 58.000 0.047 0.000 1.313 365 F CB -0.382 38.633 39.000 0.025 0.000 1.024 365 F HN -0.130 nan 8.300 nan 0.000 0.495 366 D N 0.074 120.434 120.400 -0.067 0.000 2.162 366 D HA -0.089 4.551 4.640 -0.000 0.000 0.205 366 D C 2.204 178.389 176.300 -0.191 0.000 0.964 366 D CA 0.876 54.777 54.000 -0.166 0.000 0.847 366 D CB -0.467 40.313 40.800 -0.034 0.000 0.988 366 D HN 0.304 nan 8.370 nan 0.000 0.480 367 L N 1.444 122.570 121.223 -0.161 0.000 2.042 367 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 367 L C 2.032 178.832 176.870 -0.115 0.000 1.076 367 L CA 1.756 56.508 54.840 -0.147 0.000 0.749 367 L CB -0.424 41.521 42.059 -0.191 0.000 0.893 367 L HN -0.115 nan 8.230 nan 0.000 0.432 368 K N -1.110 119.220 120.400 -0.117 0.000 2.152 368 K HA -0.133 4.187 4.320 -0.000 0.000 0.206 368 K C 1.855 178.343 176.600 -0.187 0.000 1.048 368 K CA 1.359 57.572 56.287 -0.122 0.000 0.933 368 K CB -0.444 31.989 32.500 -0.112 0.000 0.721 368 K HN 0.487 nan 8.250 nan 0.000 0.447 369 G N 0.115 108.745 108.800 -0.283 0.000 2.494 369 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.216 369 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.216 369 G C 1.483 176.287 174.900 -0.160 0.000 1.140 369 G CA 0.137 45.073 45.100 -0.273 0.000 0.801 369 G HN 0.234 nan 8.290 nan 0.000 0.536 370 R N -0.513 119.906 120.500 -0.134 0.000 2.092 370 R HA 0.057 4.397 4.340 -0.000 0.000 0.231 370 R C 2.342 178.599 176.300 -0.073 0.000 1.119 370 R CA 0.874 56.920 56.100 -0.089 0.000 0.970 370 R CB -0.358 29.895 30.300 -0.079 0.000 0.864 370 R HN 0.326 nan 8.270 nan 0.000 0.440 371 L N 1.085 122.263 121.223 -0.074 0.000 1.989 371 L HA -0.207 4.133 4.340 -0.000 0.000 0.211 371 L C 1.300 178.135 176.870 -0.058 0.000 1.071 371 L CA 2.051 56.858 54.840 -0.055 0.000 0.749 371 L CB -0.623 41.408 42.059 -0.046 0.000 0.890 371 L HN 0.198 nan 8.230 nan 0.000 0.431 372 D N -0.109 120.248 120.400 -0.071 0.000 2.172 372 D HA -0.215 4.425 4.640 -0.000 0.000 0.196 372 D C 1.703 177.970 176.300 -0.056 0.000 0.999 372 D CA 1.651 55.613 54.000 -0.064 0.000 0.856 372 D CB -0.199 40.556 40.800 -0.076 0.000 0.934 372 D HN 0.500 nan 8.370 nan 0.000 0.453 373 D N 0.426 120.791 120.400 -0.058 0.000 2.075 373 D HA -0.105 4.535 4.640 -0.000 0.000 0.196 373 D C 2.312 178.585 176.300 -0.044 0.000 0.985 373 D CA 0.276 54.247 54.000 -0.048 0.000 0.834 373 D CB -0.547 40.225 40.800 -0.047 0.000 0.987 373 D HN 0.115 nan 8.370 nan 0.000 0.452 374 I N 1.157 121.702 120.570 -0.043 0.000 2.147 374 I HA -0.315 3.855 4.170 -0.000 0.000 0.245 374 I C 2.425 178.513 176.117 -0.048 0.000 1.059 374 I CA 1.403 62.679 61.300 -0.040 0.000 1.320 374 I CB -0.229 37.751 38.000 -0.032 0.000 1.021 374 I HN -0.047 nan 8.210 nan 0.000 0.415 375 R N -0.961 119.509 120.500 -0.051 0.000 2.159 375 R HA -0.168 4.172 4.340 -0.000 0.000 0.237 375 R C 2.091 178.355 176.300 -0.059 0.000 1.131 375 R CA 1.247 57.312 56.100 -0.058 0.000 0.982 375 R CB -0.130 30.138 30.300 -0.053 0.000 0.868 375 R HN 0.321 nan 8.270 nan 0.000 0.453 376 M N -0.497 119.072 119.600 -0.051 0.000 2.191 376 M HA -0.031 4.449 4.480 -0.000 0.000 0.262 376 M C 1.862 178.134 176.300 -0.048 0.000 1.083 376 M CA 1.461 56.733 55.300 -0.047 0.000 1.154 376 M CB -0.695 31.881 32.600 -0.039 0.000 1.344 376 M HN -0.096 nan 8.290 nan 0.000 0.431 377 E N 1.402 121.575 120.200 -0.044 0.000 2.049 377 E HA -0.134 4.216 4.350 -0.000 0.000 0.198 377 E C 1.043 177.611 176.600 -0.052 0.000 1.007 377 E CA 1.358 57.732 56.400 -0.042 0.000 0.809 377 E CB -0.265 29.414 29.700 -0.035 0.000 0.749 377 E HN 0.597 nan 8.360 nan 0.000 0.450 378 M N 0.504 120.067 119.600 -0.062 0.000 2.741 378 M HA 0.294 4.774 4.480 -0.000 0.000 0.283 378 M C -0.714 175.512 176.300 -0.122 0.000 1.176 378 M CA -0.269 54.982 55.300 -0.081 0.000 1.139 378 M CB 0.980 33.542 32.600 -0.064 0.000 1.234 378 M HN -0.156 nan 8.290 nan 0.000 0.497 379 D N 0.472 120.797 120.400 -0.126 0.000 2.325 379 D HA 0.097 4.737 4.640 -0.000 0.000 0.225 379 D C -0.819 175.350 176.300 -0.220 0.000 1.096 379 D CA 0.051 53.960 54.000 -0.152 0.000 0.844 379 D CB -0.091 40.645 40.800 -0.107 0.000 0.925 379 D HN 0.768 nan 8.370 nan 0.000 0.513 380 D N -2.508 117.725 120.400 -0.279 0.000 2.710 380 D HA 0.154 4.794 4.640 -0.000 0.000 0.276 380 D C -0.056 175.976 176.300 -0.447 0.000 1.267 380 D CA -0.851 52.913 54.000 -0.395 0.000 0.772 380 D CB -0.222 40.448 40.800 -0.215 0.000 1.299 380 D HN -0.204 nan 8.370 nan 0.000 0.421 381 F N 0.294 120.057 119.950 -0.311 0.000 2.293 381 F HA 0.121 4.648 4.527 -0.000 0.000 0.300 381 F C 2.616 177.997 175.800 -0.698 0.000 1.086 381 F CA 1.209 58.835 58.000 -0.623 0.000 1.375 381 F CB -0.244 38.206 39.000 -0.916 0.000 1.045 381 F HN 0.607 nan 8.300 nan 0.000 0.516 382 G N 0.021 108.665 108.800 -0.259 0.000 2.440 382 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.218 382 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.218 382 G C 1.625 176.495 174.900 -0.051 0.000 1.154 382 G CA 0.877 45.905 45.100 -0.121 0.000 0.767 382 G HN 0.232 nan 8.290 nan 0.000 0.552 383 E N 0.342 120.494 120.200 -0.079 0.000 2.072 383 E HA -0.040 4.310 4.350 -0.000 0.000 0.190 383 E C 2.869 179.472 176.600 0.004 0.000 0.982 383 E CA 0.548 56.925 56.400 -0.038 0.000 0.803 383 E CB -0.655 29.008 29.700 -0.062 0.000 0.755 383 E HN 0.323 nan 8.360 nan 0.000 0.453 384 V N 1.404 121.309 119.914 -0.015 0.000 2.295 384 V HA -0.219 3.901 4.120 -0.000 0.000 0.246 384 V C 2.210 178.477 176.094 0.288 0.000 1.049 384 V CA 1.436 63.800 62.300 0.107 0.000 1.024 384 V CB -0.552 31.344 31.823 0.121 0.000 0.648 384 V HN 0.088 nan 8.190 nan 0.000 0.447 385 F N 0.360 120.371 119.950 0.101 0.000 2.134 385 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 385 F C 2.575 178.396 175.800 0.035 0.000 1.097 385 F CA 1.573 59.621 58.000 0.080 0.000 1.264 385 F CB -1.206 37.843 39.000 0.083 0.000 1.001 385 F HN 0.215 nan 8.300 nan 0.000 0.479 386 Q N -0.012 119.925 119.800 0.229 0.000 2.061 386 Q HA -0.193 4.147 4.340 -0.000 0.000 0.204 386 Q C 2.324 178.361 176.000 0.062 0.000 0.984 386 Q CA 1.456 57.325 55.803 0.111 0.000 0.846 386 Q CB -0.093 28.690 28.738 0.074 0.000 0.902 386 Q HN 0.212 nan 8.270 nan 0.000 0.421 387 I N 0.777 121.381 120.570 0.056 0.000 2.099 387 I HA -0.330 3.840 4.170 -0.000 0.000 0.239 387 I C 2.347 178.445 176.117 -0.031 0.000 1.066 387 I CA 1.496 62.801 61.300 0.009 0.000 1.324 387 I CB -1.151 36.853 38.000 0.006 0.000 1.037 387 I HN 0.350 nan 8.210 nan 0.000 0.401 388 I N 0.677 121.234 120.570 -0.021 0.000 2.091 388 I HA -0.374 3.796 4.170 -0.000 0.000 0.240 388 I C 2.565 178.628 176.117 -0.090 0.000 1.046 388 I CA 1.669 62.902 61.300 -0.113 0.000 1.306 388 I CB -0.574 37.413 38.000 -0.022 0.000 1.018 388 I HN 0.198 nan 8.210 nan 0.000 0.404 389 L N 0.304 121.510 121.223 -0.028 0.000 2.261 389 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 389 L C 1.824 178.675 176.870 -0.032 0.000 1.114 389 L CA 1.087 55.910 54.840 -0.028 0.000 0.777 389 L CB -0.695 41.362 42.059 -0.003 0.000 0.910 389 L HN 0.388 nan 8.230 nan 0.000 0.440 390 N N -1.710 116.971 118.700 -0.031 0.000 2.356 390 N HA -0.019 4.721 4.740 -0.000 0.000 0.178 390 N C 1.417 176.901 175.510 -0.044 0.000 1.075 390 N CA 0.754 53.787 53.050 -0.029 0.000 0.889 390 N CB 0.756 39.233 38.487 -0.017 0.000 0.999 390 N HN 0.119 nan 8.380 nan 0.000 0.464 391 T N -1.567 112.943 114.554 -0.073 0.000 3.029 391 T HA 0.237 4.587 4.350 -0.000 0.000 0.256 391 T C 1.357 175.979 174.700 -0.130 0.000 0.914 391 T CA 0.006 62.054 62.100 -0.086 0.000 0.880 391 T CB 0.681 69.497 68.868 -0.087 0.000 1.246 391 T HN -0.169 nan 8.240 nan 0.000 0.523 392 V N 0.868 120.674 119.914 -0.180 0.000 2.996 392 V HA 0.225 4.345 4.120 -0.000 0.000 0.235 392 V C 2.224 178.242 176.094 -0.125 0.000 1.205 392 V CA 0.429 62.594 62.300 -0.225 0.000 1.225 392 V CB 0.078 31.590 31.823 -0.517 0.000 0.995 392 V HN 0.201 nan 8.190 nan 0.000 0.484 393 K N 0.633 120.971 120.400 -0.104 0.000 2.030 393 K HA -0.282 4.038 4.320 -0.000 0.000 0.222 393 K C 0.539 177.117 176.600 -0.037 0.000 1.056 393 K CA 2.470 58.722 56.287 -0.058 0.000 0.957 393 K CB -0.208 32.264 32.500 -0.047 0.000 0.727 393 K HN 0.345 nan 8.250 nan 0.000 0.452 394 D N 0.575 120.955 120.400 -0.033 0.000 2.894 394 D HA 0.097 4.737 4.640 -0.000 0.000 0.273 394 D C -0.595 175.695 176.300 -0.016 0.000 1.328 394 D CA 0.002 53.989 54.000 -0.021 0.000 0.845 394 D CB 0.636 41.426 40.800 -0.017 0.000 1.072 394 D HN 0.235 nan 8.370 nan 0.000 0.484 395 S N -1.438 114.251 115.700 -0.018 0.000 2.648 395 S HA 0.386 4.856 4.470 -0.000 0.000 0.305 395 S C 1.003 175.605 174.600 0.005 0.000 1.094 395 S CA -0.759 57.437 58.200 -0.007 0.000 0.983 395 S CB 2.470 65.662 63.200 -0.014 0.000 1.101 395 S HN -0.140 nan 8.310 nan 0.000 0.514 396 K N 0.579 120.991 120.400 0.020 0.000 2.442 396 K HA 0.015 4.335 4.320 -0.000 0.000 0.198 396 K C 1.903 178.547 176.600 0.073 0.000 1.044 396 K CA 1.056 57.366 56.287 0.038 0.000 0.948 396 K CB -0.527 32.005 32.500 0.054 0.000 0.762 396 K HN 0.696 nan 8.250 nan 0.000 0.472 397 A N 1.197 124.058 122.820 0.068 0.000 2.121 397 A HA -0.176 4.144 4.320 -0.000 0.000 0.218 397 A C 1.963 179.621 177.584 0.124 0.000 1.154 397 A CA 1.048 53.154 52.037 0.115 0.000 0.679 397 A CB -0.241 18.795 19.000 0.060 0.000 0.795 397 A HN 0.345 nan 8.150 nan 0.000 0.458 398 E N 0.007 120.237 120.200 0.051 0.000 2.023 398 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 398 E C -0.717 175.921 176.600 0.062 0.000 1.003 398 E CA 1.614 58.046 56.400 0.054 0.000 0.809 398 E CB -0.589 29.117 29.700 0.009 0.000 0.755 398 E HN 0.427 nan 8.360 nan 0.000 0.449 399 P HA -0.146 nan 4.420 nan 0.000 0.218 399 P C 0.838 178.065 177.300 -0.121 0.000 1.149 399 P CA 1.222 64.243 63.100 -0.132 0.000 0.817 399 P CB -0.055 31.485 31.700 -0.266 0.000 0.785 400 H N -2.487 116.645 119.070 0.103 0.000 2.428 400 H HA -0.017 4.539 4.556 -0.000 0.000 0.296 400 H C 1.885 177.281 175.328 0.114 0.000 1.062 400 H CA 0.882 56.986 56.048 0.094 0.000 1.350 400 H CB -0.898 28.913 29.762 0.082 0.000 1.403 400 H HN 0.158 nan 8.280 nan 0.000 0.533 401 F N 1.146 121.164 119.950 0.114 0.000 2.074 401 F HA -0.115 4.412 4.527 -0.000 0.000 0.293 401 F C 2.549 178.388 175.800 0.064 0.000 1.116 401 F CA 0.721 58.768 58.000 0.079 0.000 1.212 401 F CB -0.654 38.379 39.000 0.055 0.000 0.998 401 F HN -0.044 nan 8.300 nan 0.000 0.471 402 L N -0.517 120.833 121.223 0.212 0.000 2.054 402 L HA -0.400 3.940 4.340 -0.000 0.000 0.220 402 L C 2.732 179.626 176.870 0.040 0.000 1.081 402 L CA 2.096 56.993 54.840 0.096 0.000 0.780 402 L CB -0.894 41.208 42.059 0.072 0.000 0.893 402 L HN 0.300 nan 8.230 nan 0.000 0.438 403 S N -0.419 115.323 115.700 0.070 0.000 2.399 403 S HA -0.162 4.308 4.470 -0.000 0.000 0.231 403 S C 1.791 176.517 174.600 0.209 0.000 1.022 403 S CA 1.194 59.473 58.200 0.133 0.000 0.983 403 S CB -0.214 63.083 63.200 0.162 0.000 0.803 403 S HN 0.349 nan 8.310 nan 0.000 0.480 404 I N 0.736 121.333 120.570 0.044 0.000 2.133 404 I HA -0.142 4.028 4.170 -0.000 0.000 0.238 404 I C 2.184 178.285 176.117 -0.026 0.000 1.074 404 I CA 0.737 62.019 61.300 -0.030 0.000 1.342 404 I CB -0.537 37.341 38.000 -0.204 0.000 1.053 404 I HN 0.264 nan 8.210 nan 0.000 0.404 405 L N 0.635 121.776 121.223 -0.137 0.000 2.051 405 L HA -0.295 4.045 4.340 -0.000 0.000 0.214 405 L C 2.634 179.509 176.870 0.008 0.000 1.076 405 L CA 1.900 56.698 54.840 -0.069 0.000 0.758 405 L CB -1.100 40.921 42.059 -0.063 0.000 0.890 405 L HN 0.312 nan 8.230 nan 0.000 0.433 406 Q N -1.588 118.220 119.800 0.013 0.000 2.061 406 Q HA -0.249 4.091 4.340 -0.000 0.000 0.204 406 Q C 2.172 178.154 176.000 -0.032 0.000 0.984 406 Q CA 1.988 57.780 55.803 -0.018 0.000 0.846 406 Q CB -0.258 28.447 28.738 -0.054 0.000 0.902 406 Q HN 0.614 nan 8.270 nan 0.000 0.421 407 H N -0.127 118.948 119.070 0.008 0.000 2.423 407 H HA -0.042 4.514 4.556 -0.000 0.000 0.297 407 H C 1.727 177.096 175.328 0.069 0.000 1.075 407 H CA 1.011 57.076 56.048 0.029 0.000 1.342 407 H CB 0.024 29.797 29.762 0.018 0.000 1.395 407 H HN 0.130 nan 8.280 nan 0.000 0.530 408 L N -0.020 121.309 121.223 0.177 0.000 2.465 408 L HA -0.025 4.315 4.340 -0.000 0.000 0.224 408 L C 0.451 177.486 176.870 0.274 0.000 1.145 408 L CA 0.641 55.611 54.840 0.217 0.000 0.834 408 L CB 0.098 42.244 42.059 0.144 0.000 0.944 408 L HN 0.233 nan 8.230 nan 0.000 0.451 409 L N -0.712 120.609 121.223 0.165 0.000 3.168 409 L HA 0.163 4.503 4.340 -0.000 0.000 0.277 409 L C 1.291 178.212 176.870 0.086 0.000 1.308 409 L CA -0.229 54.705 54.840 0.157 0.000 0.976 409 L CB 0.417 42.532 42.059 0.092 0.000 1.383 409 L HN 0.175 nan 8.230 nan 0.000 0.572 410 L N 0.079 121.349 121.223 0.079 0.000 2.109 410 L HA 0.010 4.350 4.340 -0.000 0.000 0.207 410 L C 1.095 177.945 176.870 -0.034 0.000 1.086 410 L CA 0.632 55.475 54.840 0.004 0.000 0.760 410 L CB 0.043 42.101 42.059 -0.002 0.000 0.910 410 L HN 0.248 nan 8.230 nan 0.000 0.437 411 V N 0.246 120.135 119.914 -0.042 0.000 2.673 411 V HA 0.033 4.153 4.120 -0.000 0.000 0.303 411 V C 0.741 176.813 176.094 -0.037 0.000 1.046 411 V CA -0.769 61.446 62.300 -0.142 0.000 1.126 411 V CB -0.202 31.491 31.823 -0.217 0.000 0.934 411 V HN 0.237 nan 8.190 nan 0.000 0.487 412 R N 3.834 124.297 120.500 -0.061 0.000 2.585 412 R HA 0.049 4.389 4.340 -0.000 0.000 0.275 412 R C 1.183 177.524 176.300 0.070 0.000 1.018 412 R CA -0.018 56.084 56.100 0.004 0.000 1.072 412 R CB 0.050 30.348 30.300 -0.003 0.000 0.953 412 R HN 0.796 nan 8.270 nan 0.000 0.419 413 N N 2.442 121.186 118.700 0.073 0.000 2.137 413 N HA -0.175 4.565 4.740 -0.000 0.000 0.190 413 N C 0.777 176.341 175.510 0.090 0.000 1.017 413 N CA 1.343 54.447 53.050 0.090 0.000 0.859 413 N CB -0.032 38.492 38.487 0.060 0.000 1.002 413 N HN 0.520 nan 8.380 nan 0.000 0.428 414 D N 0.107 120.551 120.400 0.074 0.000 2.221 414 D HA -0.179 4.461 4.640 -0.000 0.000 0.204 414 D C 0.592 176.944 176.300 0.087 0.000 0.982 414 D CA 0.428 54.466 54.000 0.065 0.000 0.857 414 D CB -0.417 40.415 40.800 0.053 0.000 0.934 414 D HN 0.305 nan 8.370 nan 0.000 0.475 415 Y N 2.869 123.158 120.300 -0.019 0.000 2.802 415 Y HA -0.117 4.433 4.550 -0.000 0.000 0.333 415 Y C 1.292 177.181 175.900 -0.019 0.000 1.244 415 Y CA -0.058 58.019 58.100 -0.038 0.000 1.558 415 Y CB 0.313 38.722 38.460 -0.085 0.000 1.233 415 Y HN -0.104 nan 8.280 nan 0.000 0.547 416 E N 4.015 123.960 120.200 -0.426 0.000 2.510 416 E HA -0.067 4.283 4.350 -0.000 0.000 0.202 416 E C 0.766 177.040 176.600 -0.543 0.000 1.072 416 E CA 0.829 57.002 56.400 -0.380 0.000 0.883 416 E CB 0.040 29.592 29.700 -0.247 0.000 0.818 416 E HN 0.675 nan 8.360 nan 0.000 0.548 417 A N 0.517 122.693 122.820 -1.075 0.000 2.630 417 A HA 0.123 4.443 4.320 -0.000 0.000 0.287 417 A C 1.446 178.894 177.584 -0.227 0.000 1.040 417 A CA -0.459 51.194 52.037 -0.640 0.000 0.971 417 A CB 0.123 18.794 19.000 -0.548 0.000 1.241 417 A HN 0.097 nan 8.150 nan 0.000 0.558 418 R N 0.424 120.889 120.500 -0.058 0.000 2.119 418 R HA -0.158 4.181 4.340 -0.000 0.000 0.246 418 R C -1.039 175.386 176.300 0.208 0.000 1.146 418 R CA 2.013 58.236 56.100 0.205 0.000 0.962 418 R CB -2.355 28.105 30.300 0.267 0.000 0.863 418 R HN 0.306 nan 8.270 nan 0.000 0.442 419 P HA -0.274 nan 4.420 nan 0.000 0.215 419 P C 1.917 179.300 177.300 0.139 0.000 1.163 419 P CA 2.629 65.829 63.100 0.167 0.000 0.894 419 P CB -0.302 31.452 31.700 0.090 0.000 0.791 420 Q N -1.100 118.758 119.800 0.096 0.000 2.084 420 Q HA -0.261 4.079 4.340 -0.000 0.000 0.202 420 Q C 2.183 178.252 176.000 0.116 0.000 0.978 420 Q CA 2.006 57.862 55.803 0.087 0.000 0.844 420 Q CB -2.236 26.540 28.738 0.063 0.000 0.898 420 Q HN 0.324 nan 8.270 nan 0.000 0.426 421 Y N -0.298 120.007 120.300 0.008 0.000 2.145 421 Y HA -0.230 4.320 4.550 -0.000 0.000 0.286 421 Y C 2.154 177.967 175.900 -0.145 0.000 1.145 421 Y CA 2.005 60.055 58.100 -0.083 0.000 1.148 421 Y CB -0.418 37.961 38.460 -0.135 0.000 0.981 421 Y HN 0.486 nan 8.280 nan 0.000 0.507 422 Y N 0.103 120.410 120.300 0.012 0.000 2.293 422 Y HA -0.200 4.350 4.550 -0.000 0.000 0.291 422 Y C 2.634 178.480 175.900 -0.089 0.000 1.137 422 Y CA 1.538 59.585 58.100 -0.088 0.000 1.202 422 Y CB -0.336 38.139 38.460 0.025 0.000 0.990 422 Y HN 0.015 nan 8.280 nan 0.000 0.537 423 K N 0.634 121.085 120.400 0.086 0.000 2.152 423 K HA -0.240 4.080 4.320 -0.000 0.000 0.206 423 K C 1.945 178.535 176.600 -0.017 0.000 1.048 423 K CA 1.456 57.767 56.287 0.039 0.000 0.933 423 K CB -0.329 32.194 32.500 0.039 0.000 0.721 423 K HN 0.325 nan 8.250 nan 0.000 0.447 424 L N 0.923 122.102 121.223 -0.073 0.000 2.034 424 L HA -0.112 4.228 4.340 -0.000 0.000 0.203 424 L C 2.045 178.816 176.870 -0.165 0.000 1.074 424 L CA 1.082 55.851 54.840 -0.119 0.000 0.748 424 L CB -0.324 41.655 42.059 -0.133 0.000 0.905 424 L HN 0.081 nan 8.230 nan 0.000 0.439 425 I N 0.332 120.730 120.570 -0.286 0.000 2.236 425 I HA -0.306 3.864 4.170 -0.000 0.000 0.249 425 I C 2.565 178.626 176.117 -0.094 0.000 1.102 425 I CA 1.463 62.624 61.300 -0.231 0.000 1.365 425 I CB -1.421 36.414 38.000 -0.275 0.000 1.051 425 I HN 0.550 nan 8.210 nan 0.000 0.420 426 E N 1.180 121.351 120.200 -0.047 0.000 2.106 426 E HA -0.204 4.146 4.350 -0.000 0.000 0.192 426 E C 1.944 178.519 176.600 -0.041 0.000 0.984 426 E CA 1.084 57.472 56.400 -0.020 0.000 0.806 426 E CB 0.185 29.889 29.700 0.007 0.000 0.750 426 E HN 0.598 nan 8.360 nan 0.000 0.458 427 E N -0.193 119.973 120.200 -0.057 0.000 2.106 427 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 427 E C 2.469 179.011 176.600 -0.098 0.000 0.984 427 E CA 1.105 57.464 56.400 -0.068 0.000 0.806 427 E CB -0.198 29.461 29.700 -0.068 0.000 0.750 427 E HN 0.322 nan 8.360 nan 0.000 0.458 428 C N 0.952 120.188 119.300 -0.107 0.000 2.442 428 C HA -0.111 4.349 4.460 -0.000 0.000 0.279 428 C C 2.812 177.739 174.990 -0.105 0.000 1.237 428 C CA 0.300 59.243 59.018 -0.124 0.000 1.722 428 C CB -0.916 26.757 27.740 -0.111 0.000 2.056 428 C HN 0.235 nan 8.230 nan 0.000 0.469 429 V N 0.666 120.536 119.914 -0.073 0.000 2.332 429 V HA -0.242 3.878 4.120 -0.000 0.000 0.248 429 V C 2.725 178.795 176.094 -0.039 0.000 1.055 429 V CA 2.479 64.749 62.300 -0.050 0.000 1.038 429 V CB -0.819 30.985 31.823 -0.033 0.000 0.651 429 V HN 0.678 nan 8.190 nan 0.000 0.450 430 S N -1.196 114.479 115.700 -0.041 0.000 2.356 430 S HA -0.309 4.161 4.470 -0.000 0.000 0.223 430 S C 2.076 176.661 174.600 -0.026 0.000 1.032 430 S CA 2.228 60.415 58.200 -0.022 0.000 1.005 430 S CB -0.251 62.936 63.200 -0.022 0.000 0.867 430 S HN 0.706 nan 8.310 nan 0.000 0.449 431 Q N 0.230 119.978 119.800 -0.088 0.000 2.061 431 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 431 Q C 2.087 178.026 176.000 -0.103 0.000 0.984 431 Q CA 2.046 57.759 55.803 -0.150 0.000 0.846 431 Q CB -0.313 28.214 28.738 -0.352 0.000 0.902 431 Q HN 0.663 nan 8.270 nan 0.000 0.421 432 I N -0.228 120.287 120.570 -0.091 0.000 2.194 432 I HA -0.294 3.875 4.170 -0.000 0.000 0.246 432 I C 2.090 178.228 176.117 0.036 0.000 1.093 432 I CA 1.059 62.336 61.300 -0.038 0.000 1.355 432 I CB -0.138 37.837 38.000 -0.041 0.000 1.046 432 I HN 0.145 nan 8.210 nan 0.000 0.413 433 V N 0.060 120.005 119.914 0.051 0.000 2.725 433 V HA -0.054 4.066 4.120 -0.000 0.000 0.247 433 V C 1.853 178.073 176.094 0.211 0.000 1.058 433 V CA 1.121 63.487 62.300 0.110 0.000 1.080 433 V CB 0.150 32.011 31.823 0.064 0.000 0.713 433 V HN 0.358 nan 8.190 nan 0.000 0.465 434 L N -1.625 119.703 121.223 0.174 0.000 2.701 434 L HA 0.275 4.615 4.340 -0.000 0.000 0.238 434 L C 0.829 177.834 176.870 0.225 0.000 1.106 434 L CA -0.004 54.986 54.840 0.250 0.000 0.898 434 L CB 0.242 42.383 42.059 0.137 0.000 1.188 434 L HN 0.341 nan 8.230 nan 0.000 0.508 435 H N 2.001 121.045 119.070 -0.043 0.000 2.467 435 H HA 0.122 4.678 4.556 -0.000 0.000 0.331 435 H C 0.512 175.545 175.328 -0.492 0.000 1.120 435 H CA -0.283 55.667 56.048 -0.163 0.000 1.270 435 H CB 1.747 31.457 29.762 -0.088 0.000 1.466 435 H HN 0.023 nan 8.280 nan 0.000 0.504 436 K N 3.161 123.163 120.400 -0.663 0.000 2.439 436 K HA -0.046 4.274 4.320 -0.000 0.000 0.197 436 K C -0.479 175.929 176.600 -0.320 0.000 1.041 436 K CA 0.594 56.214 56.287 -1.112 0.000 0.970 436 K CB 0.327 32.269 32.500 -0.931 0.000 0.773 436 K HN 0.354 nan 8.250 nan 0.000 0.479 437 N N 0.982 119.782 118.700 0.167 0.000 2.401 437 N HA 0.114 4.854 4.740 -0.000 0.000 0.264 437 N C 0.932 176.558 175.510 0.192 0.000 1.238 437 N CA 0.202 53.325 53.050 0.121 0.000 0.889 437 N CB 1.027 39.505 38.487 -0.014 0.000 1.196 437 N HN 0.381 nan 8.380 nan 0.000 0.511 438 G N 0.465 109.357 108.800 0.153 0.000 2.448 438 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 438 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 438 G C 1.407 176.346 174.900 0.065 0.000 1.135 438 G CA 1.161 46.309 45.100 0.080 0.000 0.784 438 G HN 0.397 nan 8.290 nan 0.000 0.543 439 T N -1.705 112.896 114.554 0.079 0.000 3.148 439 T HA 0.092 4.442 4.350 -0.000 0.000 0.253 439 T C 0.710 175.452 174.700 0.070 0.000 1.134 439 T CA -0.169 61.971 62.100 0.067 0.000 1.051 439 T CB -0.056 68.860 68.868 0.081 0.000 0.959 439 T HN 0.099 nan 8.240 nan 0.000 0.525 440 D N 3.458 123.911 120.400 0.088 0.000 2.877 440 D HA -0.041 4.599 4.640 -0.000 0.000 0.220 440 D C -1.295 175.043 176.300 0.063 0.000 1.089 440 D CA -0.520 53.520 54.000 0.067 0.000 0.811 440 D CB 1.262 42.097 40.800 0.059 0.000 1.162 440 D HN 0.172 nan 8.370 nan 0.000 0.513 441 P HA -0.071 nan 4.420 nan 0.000 0.219 441 P C -0.164 177.157 177.300 0.034 0.000 1.146 441 P CA 1.117 64.237 63.100 0.033 0.000 0.808 441 P CB 0.258 31.973 31.700 0.026 0.000 0.779 442 D N -1.934 118.484 120.400 0.030 0.000 2.381 442 D HA 0.104 4.744 4.640 -0.000 0.000 0.245 442 D C -0.584 175.725 176.300 0.016 0.000 1.297 442 D CA -0.742 53.278 54.000 0.032 0.000 0.931 442 D CB -0.347 40.463 40.800 0.017 0.000 1.334 442 D HN -0.049 nan 8.370 nan 0.000 0.535 443 F N 0.000 119.888 119.950 -0.103 0.000 2.286 443 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 443 F CA 0.000 57.911 58.000 -0.148 0.000 1.383 443 F CB 0.000 38.890 39.000 -0.183 0.000 1.145 443 F HN 0.000 nan 8.300 nan 0.000 0.574