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 3bg0_1_B DATA FIRST_RESID 130 DATA SEQUENCE DEIDNAKLIM KERRFTASYT FAKFSTGSML LTKDIVGKSG VSIKRLPTEL DATA SEQUENCE QRKFLFDDVY LDKEIEKVTI EARKSNPYPQ ISESSLLFKD ALDYMEKTSS DATA SEQUENCE DYNLWKLSSI LFDPVSYPYK TDNDQVKMAL LKKERHCRLT SWIVSQIGPE DATA SEQUENCE IEEKIRNSSN EIEQIFLYLL LNDVVRASKL AIESKNGHLS VLISYLGSND DATA SEQUENCE PRIRDLAELQ LQKWSTGGCS IDKNISKIYK LLSGSPFEGL FSLKELESEF DATA SEQUENCE SWLCLLNLTL CYGQIDEYSL ESLVQSHLDK FSLPYDDPIG VIFQLYAANE DATA SEQUENCE NTEKLYKEVR QRTNALDVQF CWYLIQTLRF NGTRVFSKET SDEATFAFAA DATA SEQUENCE QLEFAQLHGH SLFVSCFLND DKAAEDTIKR LVMREITLLR ASTNDHILNR DATA SEQUENCE LKIPSQLIFN AQALKDRYEG NYL 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 130 D HA 0.000 nan 4.640 nan 0.000 0.175 130 D C 0.000 176.303 176.300 0.005 0.000 2.045 130 D CA 0.000 54.002 54.000 0.004 0.000 0.868 130 D CB 0.000 40.802 40.800 0.004 0.000 0.688 131 E N 1.119 121.322 120.200 0.005 0.000 3.935 131 E HA 0.395 4.745 4.350 -0.000 0.000 0.226 131 E C -0.799 175.805 176.600 0.007 0.000 1.220 131 E CA -0.043 56.361 56.400 0.006 0.000 1.226 131 E CB 0.013 29.716 29.700 0.005 0.000 1.237 131 E HN 0.214 nan 8.360 nan 0.000 0.417 132 I N 1.783 122.358 120.570 0.008 0.000 2.979 132 I HA 0.211 4.380 4.170 -0.000 0.000 0.337 132 I C 0.276 176.401 176.117 0.013 0.000 1.453 132 I CA -0.179 61.127 61.300 0.010 0.000 0.891 132 I CB 0.748 38.753 38.000 0.008 0.000 1.887 132 I HN 0.211 nan 8.210 nan 0.000 0.546 133 D N 1.073 121.481 120.400 0.013 0.000 2.240 133 D HA -0.005 4.635 4.640 -0.000 0.000 0.206 133 D C 1.478 177.789 176.300 0.019 0.000 0.963 133 D CA 0.811 54.820 54.000 0.015 0.000 0.863 133 D CB 0.332 41.140 40.800 0.013 0.000 0.973 133 D HN 0.362 nan 8.370 nan 0.000 0.501 134 N N 1.082 119.793 118.700 0.019 0.000 2.457 134 N HA -0.039 4.701 4.740 -0.000 0.000 0.180 134 N C 1.343 176.872 175.510 0.030 0.000 1.050 134 N CA 0.181 53.246 53.050 0.024 0.000 0.906 134 N CB 0.254 38.753 38.487 0.021 0.000 0.968 134 N HN 0.032 nan 8.380 nan 0.000 0.445 135 A N 0.149 122.985 122.820 0.027 0.000 2.276 135 A HA 0.094 4.414 4.320 -0.000 0.000 0.212 135 A C 1.611 179.217 177.584 0.037 0.000 1.230 135 A CA 0.482 52.537 52.037 0.030 0.000 0.844 135 A CB 0.167 19.179 19.000 0.019 0.000 0.860 135 A HN -0.025 nan 8.150 nan 0.000 0.486 136 K N -1.734 118.688 120.400 0.037 0.000 2.538 136 K HA 0.227 4.546 4.320 -0.000 0.000 0.215 136 K C 1.101 177.726 176.600 0.041 0.000 1.345 136 K CA 0.195 56.505 56.287 0.038 0.000 0.985 136 K CB 0.267 32.784 32.500 0.028 0.000 1.116 136 K HN 0.434 nan 8.250 nan 0.000 0.582 137 L N 0.512 121.759 121.223 0.040 0.000 2.362 137 L HA 0.271 4.610 4.340 -0.000 0.000 0.204 137 L C 1.762 178.662 176.870 0.049 0.000 1.060 137 L CA 0.916 55.778 54.840 0.037 0.000 0.827 137 L CB 0.156 42.232 42.059 0.028 0.000 1.027 137 L HN -0.065 nan 8.230 nan 0.000 0.474 138 I N -0.846 119.760 120.570 0.061 0.000 2.406 138 I HA -0.181 3.989 4.170 -0.000 0.000 0.249 138 I C 2.391 178.594 176.117 0.143 0.000 1.122 138 I CA 1.138 62.490 61.300 0.086 0.000 1.431 138 I CB -0.142 37.906 38.000 0.080 0.000 1.087 138 I HN 0.307 nan 8.210 nan 0.000 0.424 139 M N 0.212 119.892 119.600 0.133 0.000 2.254 139 M HA -0.142 4.338 4.480 -0.000 0.000 0.265 139 M C 2.142 178.540 176.300 0.163 0.000 1.066 139 M CA 1.525 56.937 55.300 0.187 0.000 1.123 139 M CB 0.028 32.700 32.600 0.120 0.000 1.388 139 M HN 0.033 nan 8.290 nan 0.000 0.425 140 K N -0.056 120.401 120.400 0.095 0.000 2.314 140 K HA -0.112 4.208 4.320 -0.000 0.000 0.198 140 K C 1.586 178.206 176.600 0.034 0.000 1.045 140 K CA 0.989 57.312 56.287 0.060 0.000 0.988 140 K CB 0.172 32.697 32.500 0.042 0.000 0.783 140 K HN 0.473 nan 8.250 nan 0.000 0.484 141 E N 0.055 120.276 120.200 0.035 0.000 2.285 141 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 141 E C 1.786 178.365 176.600 -0.035 0.000 0.997 141 E CA 0.798 57.201 56.400 0.005 0.000 0.845 141 E CB 0.182 29.890 29.700 0.013 0.000 0.782 141 E HN -0.144 nan 8.360 nan 0.000 0.491 142 R N 0.376 120.853 120.500 -0.038 0.000 2.280 142 R HA 0.215 4.555 4.340 -0.000 0.000 0.195 142 R C 0.248 176.352 176.300 -0.326 0.000 0.935 142 R CA 0.379 56.345 56.100 -0.224 0.000 1.033 142 R CB -0.065 30.052 30.300 -0.305 0.000 0.964 142 R HN 0.157 nan 8.270 nan 0.000 0.489 143 R N -1.706 118.716 120.500 -0.130 0.000 3.804 143 R HA -0.171 4.168 4.340 -0.000 0.000 0.459 143 R C -0.590 175.692 176.300 -0.029 0.000 1.009 143 R CA 0.546 56.592 56.100 -0.091 0.000 1.210 143 R CB -2.948 27.268 30.300 -0.140 0.000 1.860 143 R HN 0.231 nan 8.270 nan 0.000 0.526 144 F N 2.565 122.503 119.950 -0.020 0.000 2.504 144 F HA 0.009 4.536 4.527 -0.000 0.000 0.365 144 F C 1.487 177.308 175.800 0.036 0.000 1.140 144 F CA 0.426 58.419 58.000 -0.011 0.000 1.077 144 F CB 0.435 39.428 39.000 -0.011 0.000 1.106 144 F HN -0.158 nan 8.300 nan 0.000 0.578 145 T N 2.740 117.446 114.554 0.254 0.000 2.816 145 T HA 0.213 4.563 4.350 -0.000 0.000 0.282 145 T C 1.395 176.195 174.700 0.167 0.000 0.993 145 T CA -0.079 62.121 62.100 0.167 0.000 0.994 145 T CB 1.601 70.543 68.868 0.122 0.000 1.025 145 T HN 0.669 nan 8.240 nan 0.000 0.529 146 A N 1.510 124.397 122.820 0.112 0.000 1.917 146 A HA -0.096 4.224 4.320 -0.000 0.000 0.219 146 A C 1.779 179.418 177.584 0.092 0.000 1.182 146 A CA 1.827 53.915 52.037 0.086 0.000 0.633 146 A CB -0.913 18.121 19.000 0.056 0.000 0.819 146 A HN 0.841 nan 8.150 nan 0.000 0.448 147 S N -0.599 115.164 115.700 0.104 0.000 4.120 147 S HA 0.356 4.826 4.470 -0.000 0.000 0.196 147 S C -0.411 174.299 174.600 0.183 0.000 1.447 147 S CA -0.590 57.671 58.200 0.102 0.000 0.939 147 S CB -0.619 62.627 63.200 0.077 0.000 1.496 147 S HN 0.447 nan 8.310 nan 0.000 0.460 148 Y N 2.051 122.387 120.300 0.059 0.000 2.369 148 Y HA 0.614 5.164 4.550 -0.000 0.000 0.337 148 Y C -0.528 175.423 175.900 0.085 0.000 0.961 148 Y CA -1.028 57.125 58.100 0.088 0.000 1.186 148 Y CB 0.751 39.246 38.460 0.058 0.000 1.139 148 Y HN 0.368 nan 8.280 nan 0.000 0.494 149 T N 7.756 122.423 114.554 0.188 0.000 2.930 149 T HA 0.706 5.056 4.350 -0.000 0.000 0.290 149 T C -1.393 173.413 174.700 0.177 0.000 1.052 149 T CA -0.402 61.658 62.100 -0.067 0.000 1.017 149 T CB 1.350 70.179 68.868 -0.065 0.000 1.137 149 T HN 0.489 nan 8.240 nan 0.000 0.511 150 F N -0.681 119.246 119.950 -0.038 0.000 2.613 150 F HA 0.922 5.448 4.527 -0.000 0.000 0.310 150 F C -1.179 174.641 175.800 0.035 0.000 1.085 150 F CA -1.532 56.524 58.000 0.093 0.000 0.945 150 F CB 1.129 40.211 39.000 0.138 0.000 1.298 150 F HN 0.757 nan 8.300 nan 0.000 0.455 151 A N 2.675 125.614 122.820 0.197 0.000 2.488 151 A HA 0.788 5.108 4.320 -0.000 0.000 0.295 151 A C -1.560 176.148 177.584 0.208 0.000 1.045 151 A CA -0.913 51.167 52.037 0.072 0.000 0.703 151 A CB 1.675 20.668 19.000 -0.012 0.000 1.271 151 A HN 0.798 nan 8.150 nan 0.000 0.400 152 K N 1.630 122.138 120.400 0.180 0.000 2.535 152 K HA 0.491 4.811 4.320 -0.000 0.000 0.251 152 K C -1.513 175.200 176.600 0.189 0.000 0.942 152 K CA -0.462 55.964 56.287 0.233 0.000 0.798 152 K CB 1.899 34.534 32.500 0.224 0.000 1.267 152 K HN 0.522 nan 8.250 nan 0.000 0.434 153 F N 0.836 120.817 119.950 0.050 0.000 2.440 153 F HA 0.268 4.795 4.527 -0.000 0.000 0.323 153 F C 1.167 176.990 175.800 0.038 0.000 1.192 153 F CA 0.283 58.303 58.000 0.033 0.000 1.252 153 F CB 1.337 40.356 39.000 0.031 0.000 1.214 153 F HN 0.308 nan 8.300 nan 0.000 0.578 154 S N -0.586 115.234 115.700 0.200 0.000 2.599 154 S HA 0.309 4.779 4.470 -0.000 0.000 0.287 154 S C 0.736 175.412 174.600 0.127 0.000 1.105 154 S CA -0.474 57.803 58.200 0.128 0.000 0.899 154 S CB 1.488 64.731 63.200 0.070 0.000 1.100 154 S HN 0.683 nan 8.310 nan 0.000 0.482 155 T N 2.917 117.523 114.554 0.087 0.000 2.701 155 T HA -0.180 4.170 4.350 -0.000 0.000 0.265 155 T C 1.677 176.428 174.700 0.086 0.000 1.032 155 T CA 2.128 64.270 62.100 0.070 0.000 1.158 155 T CB -0.928 67.958 68.868 0.030 0.000 0.854 155 T HN 0.878 nan 8.240 nan 0.000 0.463 156 G N 0.157 109.003 108.800 0.077 0.000 2.708 156 G HA2 0.108 4.068 3.960 -0.000 0.000 0.210 156 G HA3 0.108 4.068 3.960 -0.000 0.000 0.210 156 G C 0.584 175.557 174.900 0.121 0.000 1.141 156 G CA 0.641 45.793 45.100 0.087 0.000 0.788 156 G HN 0.473 nan 8.290 nan 0.000 0.531 157 S N -1.139 114.658 115.700 0.163 0.000 3.749 157 S HA -0.179 4.291 4.470 -0.000 0.000 0.348 157 S C 0.214 174.886 174.600 0.120 0.000 1.045 157 S CA 1.276 59.628 58.200 0.252 0.000 1.051 157 S CB -1.958 61.465 63.200 0.372 0.000 0.898 157 S HN 0.907 nan 8.310 nan 0.000 0.472 158 M N -0.756 118.861 119.600 0.027 0.000 2.267 158 M HA 0.737 5.217 4.480 -0.000 0.000 0.289 158 M C -0.514 175.616 176.300 -0.283 0.000 1.043 158 M CA -1.067 54.145 55.300 -0.147 0.000 0.928 158 M CB 1.434 33.981 32.600 -0.088 0.000 1.613 158 M HN 0.079 nan 8.290 nan 0.000 0.450 159 L N 4.259 125.129 121.223 -0.589 0.000 2.472 159 L HA 0.586 4.926 4.340 -0.000 0.000 0.260 159 L C -1.267 175.422 176.870 -0.301 0.000 1.209 159 L CA 0.058 54.508 54.840 -0.650 0.000 0.817 159 L CB 0.764 42.252 42.059 -0.950 0.000 1.106 159 L HN 0.830 nan 8.230 nan 0.000 0.479 160 L N 3.267 124.367 121.223 -0.206 0.000 2.471 160 L HA 0.377 4.717 4.340 -0.000 0.000 0.263 160 L C -0.711 176.045 176.870 -0.190 0.000 0.985 160 L CA -0.464 54.301 54.840 -0.124 0.000 0.868 160 L CB 1.220 43.281 42.059 0.003 0.000 1.203 160 L HN 0.558 nan 8.230 nan 0.000 0.429 161 T N 1.134 115.534 114.554 -0.256 0.000 2.859 161 T HA 0.250 4.600 4.350 -0.000 0.000 0.281 161 T C 0.121 174.558 174.700 -0.439 0.000 1.005 161 T CA -0.647 61.225 62.100 -0.379 0.000 1.025 161 T CB 1.773 70.481 68.868 -0.265 0.000 0.977 161 T HN 0.534 nan 8.240 nan 0.000 0.458 162 K N 2.163 122.136 120.400 -0.711 0.000 2.237 162 K HA 0.303 4.623 4.320 -0.000 0.000 0.283 162 K C -0.806 175.632 176.600 -0.269 0.000 1.080 162 K CA -0.208 55.767 56.287 -0.520 0.000 0.965 162 K CB 0.084 32.152 32.500 -0.719 0.000 1.098 162 K HN 0.295 nan 8.250 nan 0.000 0.434 163 D N 3.120 123.415 120.400 -0.176 0.000 2.340 163 D HA 0.223 4.863 4.640 -0.000 0.000 0.240 163 D C 0.514 176.766 176.300 -0.081 0.000 1.001 163 D CA -0.801 53.128 54.000 -0.119 0.000 0.888 163 D CB 1.233 41.971 40.800 -0.105 0.000 1.310 163 D HN 0.557 nan 8.370 nan 0.000 0.474 164 I N 2.302 122.834 120.570 -0.064 0.000 3.369 164 I HA -0.099 4.071 4.170 -0.000 0.000 0.288 164 I C 0.924 177.018 176.117 -0.038 0.000 1.321 164 I CA 0.328 61.601 61.300 -0.045 0.000 1.358 164 I CB 0.216 38.193 38.000 -0.039 0.000 1.038 164 I HN 0.266 nan 8.210 nan 0.000 0.516 165 V N 0.542 120.430 119.914 -0.045 0.000 3.630 165 V HA 0.135 4.255 4.120 -0.000 0.000 0.273 165 V C 1.004 177.079 176.094 -0.032 0.000 1.248 165 V CA 0.372 62.649 62.300 -0.038 0.000 1.170 165 V CB -0.800 30.996 31.823 -0.045 0.000 0.899 165 V HN 0.446 nan 8.190 nan 0.000 0.457 166 G N -1.240 107.543 108.800 -0.028 0.000 2.533 166 G HA2 0.426 4.385 3.960 -0.000 0.000 0.304 166 G HA3 0.426 4.385 3.960 -0.000 0.000 0.304 166 G C 0.453 175.347 174.900 -0.010 0.000 1.263 166 G CA -0.393 44.696 45.100 -0.018 0.000 0.964 166 G HN -0.178 nan 8.290 nan 0.000 0.479 167 K N 0.315 120.713 120.400 -0.004 0.000 2.074 167 K HA -0.101 4.219 4.320 -0.000 0.000 0.209 167 K C 2.201 178.802 176.600 0.001 0.000 1.048 167 K CA 2.000 58.287 56.287 -0.001 0.000 0.926 167 K CB -0.238 32.264 32.500 0.004 0.000 0.713 167 K HN 0.379 nan 8.250 nan 0.000 0.444 168 S N -2.187 113.517 115.700 0.007 0.000 2.499 168 S HA 0.201 4.671 4.470 -0.000 0.000 0.225 168 S C 0.407 175.015 174.600 0.013 0.000 1.050 168 S CA 0.798 59.005 58.200 0.012 0.000 0.928 168 S CB 0.507 63.720 63.200 0.022 0.000 0.803 168 S HN 0.534 nan 8.310 nan 0.000 0.506 169 G N 0.841 109.647 108.800 0.009 0.000 2.610 169 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.136 169 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.136 169 G C -0.363 174.539 174.900 0.004 0.000 1.070 169 G CA -0.201 44.896 45.100 -0.005 0.000 0.812 169 G HN 0.732 nan 8.290 nan 0.000 0.495 170 V N 0.022 119.937 119.914 0.002 0.000 2.454 170 V HA 0.514 4.634 4.120 -0.000 0.000 0.255 170 V C 1.023 177.090 176.094 -0.044 0.000 1.009 170 V CA -0.352 61.952 62.300 0.006 0.000 1.149 170 V CB 0.271 32.133 31.823 0.065 0.000 1.418 170 V HN 1.225 nan 8.190 nan 0.000 0.567 171 S N 1.424 117.072 115.700 -0.086 0.000 2.752 171 S HA 0.186 4.656 4.470 -0.000 0.000 0.329 171 S C 0.301 174.841 174.600 -0.100 0.000 1.204 171 S CA -0.017 58.129 58.200 -0.090 0.000 1.252 171 S CB -0.488 62.649 63.200 -0.104 0.000 1.053 171 S HN 0.598 nan 8.310 nan 0.000 0.533 172 I N 3.126 123.651 120.570 -0.075 0.000 2.528 172 I HA 0.046 4.215 4.170 -0.000 0.000 0.276 172 I C 0.706 176.763 176.117 -0.100 0.000 1.056 172 I CA -0.296 60.955 61.300 -0.080 0.000 1.858 172 I CB -0.369 37.603 38.000 -0.048 0.000 1.448 172 I HN 0.455 nan 8.210 nan 0.000 0.776 173 K N 3.251 123.574 120.400 -0.128 0.000 2.485 173 K HA 0.077 4.397 4.320 -0.000 0.000 0.277 173 K C 0.313 176.816 176.600 -0.163 0.000 0.990 173 K CA 0.211 56.416 56.287 -0.136 0.000 0.994 173 K CB 0.811 33.218 32.500 -0.154 0.000 0.906 173 K HN 0.432 nan 8.250 nan 0.000 0.488 174 R N 1.659 122.077 120.500 -0.137 0.000 2.674 174 R HA 0.291 4.631 4.340 -0.000 0.000 0.266 174 R C -0.591 175.593 176.300 -0.195 0.000 1.016 174 R CA -0.859 55.153 56.100 -0.147 0.000 1.062 174 R CB 0.675 30.923 30.300 -0.087 0.000 1.142 174 R HN 0.315 nan 8.270 nan 0.000 0.517 175 L N 4.782 125.848 121.223 -0.261 0.000 2.278 175 L HA 0.340 4.680 4.340 -0.000 0.000 0.287 175 L C -1.965 174.718 176.870 -0.311 0.000 1.072 175 L CA -1.778 52.852 54.840 -0.350 0.000 0.819 175 L CB 1.037 42.761 42.059 -0.560 0.000 1.176 175 L HN 0.564 nan 8.230 nan 0.000 0.435 176 P HA 0.028 nan 4.420 nan 0.000 0.263 176 P C -0.272 177.011 177.300 -0.028 0.000 1.195 176 P CA -0.118 62.934 63.100 -0.079 0.000 0.762 176 P CB 0.309 31.984 31.700 -0.042 0.000 0.799 177 T N 2.743 117.331 114.554 0.057 0.000 2.802 177 T HA 0.055 4.405 4.350 -0.000 0.000 0.305 177 T C 0.839 175.615 174.700 0.127 0.000 1.053 177 T CA 0.060 62.255 62.100 0.159 0.000 1.058 177 T CB 0.277 69.238 68.868 0.155 0.000 0.988 177 T HN 0.423 nan 8.240 nan 0.000 0.539 178 E N 1.002 121.292 120.200 0.151 0.000 3.385 178 E HA 0.284 4.634 4.350 -0.000 0.000 0.206 178 E C -1.016 175.659 176.600 0.125 0.000 0.997 178 E CA -0.347 56.127 56.400 0.123 0.000 1.278 178 E CB 0.500 30.279 29.700 0.131 0.000 1.165 178 E HN 0.117 nan 8.360 nan 0.000 0.452 179 L N 0.429 121.725 121.223 0.123 0.000 2.381 179 L HA 0.417 4.757 4.340 -0.000 0.000 0.274 179 L C -1.453 175.487 176.870 0.117 0.000 0.988 179 L CA -0.321 54.590 54.840 0.118 0.000 0.824 179 L CB 1.569 43.688 42.059 0.100 0.000 1.263 179 L HN -0.025 nan 8.230 nan 0.000 0.410 180 Q N 5.622 125.484 119.800 0.103 0.000 2.350 180 Q HA 0.544 4.884 4.340 -0.000 0.000 0.255 180 Q C -1.162 174.876 176.000 0.064 0.000 0.951 180 Q CA -0.446 55.419 55.803 0.103 0.000 0.751 180 Q CB 2.185 30.975 28.738 0.087 0.000 1.296 180 Q HN 0.664 nan 8.270 nan 0.000 0.453 181 R N 2.085 122.606 120.500 0.035 0.000 2.983 181 R HA 0.055 4.395 4.340 -0.000 0.000 0.290 181 R C 0.524 176.743 176.300 -0.136 0.000 1.327 181 R CA -0.062 55.981 56.100 -0.096 0.000 1.062 181 R CB 0.653 30.800 30.300 -0.254 0.000 1.307 181 R HN 0.554 nan 8.270 nan 0.000 0.389 182 K N 2.586 123.002 120.400 0.028 0.000 2.144 182 K HA -0.250 4.070 4.320 -0.000 0.000 0.209 182 K C 1.185 177.890 176.600 0.175 0.000 1.047 182 K CA 2.363 58.731 56.287 0.136 0.000 0.927 182 K CB -0.552 31.992 32.500 0.073 0.000 0.716 182 K HN 0.528 nan 8.250 nan 0.000 0.454 183 F N 1.164 121.152 119.950 0.063 0.000 2.494 183 F HA 0.112 4.639 4.527 -0.000 0.000 0.298 183 F C 1.430 177.172 175.800 -0.097 0.000 1.106 183 F CA 0.417 58.398 58.000 -0.032 0.000 1.452 183 F CB -0.499 38.373 39.000 -0.213 0.000 1.085 183 F HN -0.136 nan 8.300 nan 0.000 0.569 184 L N -0.860 120.029 121.223 -0.557 0.000 2.362 184 L HA -0.086 4.254 4.340 -0.000 0.000 0.219 184 L C 1.280 177.943 176.870 -0.345 0.000 1.134 184 L CA 0.794 55.361 54.840 -0.455 0.000 0.807 184 L CB -0.690 40.950 42.059 -0.698 0.000 0.927 184 L HN 0.168 nan 8.230 nan 0.000 0.447 185 F N -1.315 118.621 119.950 -0.022 0.000 2.765 185 F HA 0.129 4.656 4.527 -0.000 0.000 0.302 185 F C 0.886 176.717 175.800 0.052 0.000 1.111 185 F CA -0.310 57.702 58.000 0.020 0.000 1.359 185 F CB -0.081 38.920 39.000 0.002 0.000 1.097 185 F HN -0.058 nan 8.300 nan 0.000 0.577 186 D N 0.191 120.726 120.400 0.226 0.000 2.217 186 D HA 0.084 4.724 4.640 -0.000 0.000 0.243 186 D C 0.652 177.045 176.300 0.154 0.000 1.054 186 D CA -0.208 53.909 54.000 0.194 0.000 0.838 186 D CB 1.389 42.327 40.800 0.230 0.000 1.162 186 D HN -0.077 nan 8.370 nan 0.000 0.472 187 D N 2.627 123.092 120.400 0.108 0.000 2.149 187 D HA -0.133 4.507 4.640 -0.000 0.000 0.198 187 D C 2.110 178.453 176.300 0.071 0.000 0.990 187 D CA 0.836 54.874 54.000 0.063 0.000 0.839 187 D CB 0.044 40.881 40.800 0.061 0.000 0.948 187 D HN 0.237 nan 8.370 nan 0.000 0.460 188 V N 0.859 120.849 119.914 0.128 0.000 2.370 188 V HA -0.301 3.819 4.120 -0.000 0.000 0.252 188 V C 2.159 178.363 176.094 0.184 0.000 1.068 188 V CA 1.577 63.970 62.300 0.154 0.000 1.061 188 V CB -0.668 31.272 31.823 0.195 0.000 0.656 188 V HN 0.180 nan 8.190 nan 0.000 0.455 189 Y N 0.426 120.769 120.300 0.071 0.000 2.109 189 Y HA -0.172 4.378 4.550 -0.000 0.000 0.281 189 Y C 2.281 178.069 175.900 -0.185 0.000 1.113 189 Y CA 1.751 59.788 58.100 -0.106 0.000 1.098 189 Y CB -0.700 37.669 38.460 -0.153 0.000 0.996 189 Y HN 0.165 nan 8.280 nan 0.000 0.485 190 L N 1.159 122.220 121.223 -0.271 0.000 2.051 190 L HA -0.257 4.082 4.340 -0.000 0.000 0.214 190 L C 2.029 178.622 176.870 -0.462 0.000 1.076 190 L CA 2.520 57.011 54.840 -0.581 0.000 0.758 190 L CB -1.363 40.380 42.059 -0.527 0.000 0.890 190 L HN 0.496 nan 8.230 nan 0.000 0.433 191 D N -0.539 119.722 120.400 -0.233 0.000 2.077 191 D HA -0.220 4.420 4.640 -0.000 0.000 0.197 191 D C 2.120 178.328 176.300 -0.153 0.000 0.983 191 D CA 1.462 55.374 54.000 -0.146 0.000 0.841 191 D CB -0.002 40.788 40.800 -0.017 0.000 0.992 191 D HN 0.334 nan 8.370 nan 0.000 0.450 192 K N 0.273 120.615 120.400 -0.095 0.000 2.059 192 K HA -0.213 4.107 4.320 -0.000 0.000 0.212 192 K C 2.111 178.628 176.600 -0.138 0.000 1.050 192 K CA 1.362 57.613 56.287 -0.060 0.000 0.927 192 K CB -0.236 32.288 32.500 0.042 0.000 0.714 192 K HN 0.219 nan 8.250 nan 0.000 0.447 193 E N 0.389 120.401 120.200 -0.314 0.000 2.463 193 E HA -0.126 4.224 4.350 -0.000 0.000 0.201 193 E C 1.622 178.078 176.600 -0.241 0.000 1.045 193 E CA 0.333 56.522 56.400 -0.350 0.000 0.872 193 E CB 0.080 29.354 29.700 -0.709 0.000 0.797 193 E HN 0.315 nan 8.360 nan 0.000 0.538 194 I N 0.154 120.586 120.570 -0.230 0.000 2.429 194 I HA -0.152 4.018 4.170 -0.000 0.000 0.247 194 I C 1.908 178.035 176.117 0.017 0.000 1.099 194 I CA 0.617 61.871 61.300 -0.076 0.000 1.422 194 I CB -0.082 37.848 38.000 -0.117 0.000 1.112 194 I HN 0.068 nan 8.210 nan 0.000 0.430 195 E N 0.998 121.185 120.200 -0.022 0.000 2.273 195 E HA -0.237 4.113 4.350 -0.000 0.000 0.198 195 E C 1.718 178.333 176.600 0.025 0.000 1.002 195 E CA 0.828 57.231 56.400 0.005 0.000 0.828 195 E CB 0.038 29.739 29.700 0.002 0.000 0.747 195 E HN 0.252 nan 8.360 nan 0.000 0.491 196 K N 0.356 120.775 120.400 0.031 0.000 2.439 196 K HA 0.011 4.331 4.320 -0.000 0.000 0.197 196 K C 0.500 177.138 176.600 0.063 0.000 1.041 196 K CA 0.374 56.689 56.287 0.047 0.000 0.970 196 K CB 0.260 32.789 32.500 0.048 0.000 0.773 196 K HN -0.011 nan 8.250 nan 0.000 0.479 197 V N 0.026 119.993 119.914 0.088 0.000 3.103 197 V HA 0.321 4.441 4.120 -0.000 0.000 0.318 197 V C 0.055 176.175 176.094 0.042 0.000 1.114 197 V CA -0.876 61.467 62.300 0.072 0.000 1.020 197 V CB 2.058 33.952 31.823 0.118 0.000 1.085 197 V HN -0.114 nan 8.190 nan 0.000 0.446 198 T N 2.770 117.336 114.554 0.019 0.000 2.809 198 T HA 0.644 4.994 4.350 -0.000 0.000 0.284 198 T C -0.545 174.145 174.700 -0.017 0.000 0.992 198 T CA -0.044 62.063 62.100 0.012 0.000 0.957 198 T CB 0.636 69.519 68.868 0.025 0.000 0.942 198 T HN 0.380 nan 8.240 nan 0.000 0.439 199 I N 3.012 123.569 120.570 -0.022 0.000 2.460 199 I HA 0.548 4.718 4.170 -0.000 0.000 0.298 199 I C 0.116 176.216 176.117 -0.029 0.000 0.989 199 I CA -0.671 60.601 61.300 -0.045 0.000 1.173 199 I CB 1.728 39.702 38.000 -0.043 0.000 1.338 199 I HN 0.572 nan 8.210 nan 0.000 0.456 200 E N 5.233 125.413 120.200 -0.033 0.000 2.321 200 E HA 0.596 4.946 4.350 -0.000 0.000 0.278 200 E C -1.464 175.128 176.600 -0.013 0.000 0.902 200 E CA -0.848 55.540 56.400 -0.019 0.000 0.758 200 E CB 2.067 31.759 29.700 -0.015 0.000 1.213 200 E HN 0.691 nan 8.360 nan 0.000 0.426 201 A N 3.920 126.738 122.820 -0.003 0.000 2.498 201 A HA 0.297 4.617 4.320 -0.000 0.000 0.239 201 A C 0.262 177.857 177.584 0.019 0.000 1.068 201 A CA -0.289 51.757 52.037 0.015 0.000 0.766 201 A CB 0.340 19.351 19.000 0.017 0.000 1.003 201 A HN 0.568 nan 8.150 nan 0.000 0.497 202 R N 0.891 121.413 120.500 0.035 0.000 2.649 202 R HA 0.172 4.511 4.340 -0.000 0.000 0.270 202 R C 0.368 176.681 176.300 0.022 0.000 1.105 202 R CA -0.231 55.883 56.100 0.024 0.000 1.193 202 R CB 0.190 30.506 30.300 0.027 0.000 1.120 202 R HN 0.725 nan 8.270 nan 0.000 0.561 203 K N 0.745 121.151 120.400 0.010 0.000 2.790 203 K HA 0.020 4.340 4.320 -0.000 0.000 0.229 203 K C 0.410 177.016 176.600 0.010 0.000 1.040 203 K CA 0.441 56.733 56.287 0.007 0.000 1.211 203 K CB 0.098 32.597 32.500 -0.001 0.000 1.002 203 K HN 0.564 nan 8.250 nan 0.000 0.479 204 S N -0.786 114.924 115.700 0.017 0.000 2.927 204 S HA 0.043 4.513 4.470 -0.000 0.000 0.246 204 S C -0.471 174.145 174.600 0.027 0.000 0.907 204 S CA -0.538 57.670 58.200 0.014 0.000 1.326 204 S CB -0.340 62.860 63.200 0.000 0.000 1.216 204 S HN 0.457 nan 8.310 nan 0.000 0.652 205 N N 0.101 118.834 118.700 0.055 0.000 3.514 205 N HA 0.313 5.053 4.740 -0.000 0.000 0.268 205 N C -3.132 172.461 175.510 0.138 0.000 1.391 205 N CA -0.455 52.660 53.050 0.109 0.000 0.821 205 N CB -0.183 38.382 38.487 0.130 0.000 1.563 205 N HN -0.079 nan 8.380 nan 0.000 0.426 206 P HA 0.170 nan 4.420 nan 0.000 0.257 206 P C -0.539 176.811 177.300 0.082 0.000 1.241 206 P CA 0.398 63.555 63.100 0.095 0.000 0.816 206 P CB 0.016 31.733 31.700 0.028 0.000 1.150 207 Y N 4.031 124.331 120.300 0.000 0.000 2.729 207 Y HA 0.071 4.621 4.550 -0.000 0.000 0.331 207 Y C -1.316 174.576 175.900 -0.013 0.000 1.208 207 Y CA -2.345 55.754 58.100 -0.002 0.000 1.521 207 Y CB -0.792 37.669 38.460 0.002 0.000 1.233 207 Y HN 0.105 nan 8.280 nan 0.000 0.539 208 P HA 0.002 nan 4.420 nan 0.000 0.268 208 P C -0.965 176.333 177.300 -0.004 0.000 1.205 208 P CA -0.048 63.059 63.100 0.011 0.000 0.771 208 P CB 1.016 32.703 31.700 -0.022 0.000 0.858 209 Q N 1.309 121.081 119.800 -0.047 0.000 2.377 209 Q HA 0.448 4.788 4.340 -0.000 0.000 0.279 209 Q C -0.805 175.105 176.000 -0.149 0.000 1.049 209 Q CA -0.884 54.859 55.803 -0.099 0.000 0.825 209 Q CB 1.600 30.312 28.738 -0.044 0.000 1.401 209 Q HN 0.294 nan 8.270 nan 0.000 0.404 210 I N 1.146 121.549 120.570 -0.279 0.000 2.587 210 I HA -0.020 4.150 4.170 -0.000 0.000 0.284 210 I C 0.991 177.104 176.117 -0.008 0.000 1.134 210 I CA 0.868 62.009 61.300 -0.265 0.000 1.410 210 I CB 0.994 38.586 38.000 -0.681 0.000 1.392 210 I HN 0.648 nan 8.210 nan 0.000 0.545 211 S N 4.140 119.852 115.700 0.020 0.000 2.384 211 S HA 0.194 4.664 4.470 -0.000 0.000 0.217 211 S C 0.562 175.255 174.600 0.156 0.000 1.041 211 S CA 0.645 58.874 58.200 0.049 0.000 0.948 211 S CB 0.224 63.431 63.200 0.012 0.000 0.872 211 S HN 0.615 nan 8.310 nan 0.000 0.512 212 E N 0.965 121.274 120.200 0.182 0.000 2.263 212 E HA 0.449 4.799 4.350 -0.000 0.000 0.268 212 E C -1.692 175.014 176.600 0.175 0.000 0.884 212 E CA -0.172 56.378 56.400 0.250 0.000 0.766 212 E CB 1.845 31.617 29.700 0.120 0.000 1.196 212 E HN 0.188 nan 8.360 nan 0.000 0.416 213 S N 1.355 117.174 115.700 0.200 0.000 2.647 213 S HA 0.360 4.829 4.470 -0.000 0.000 0.300 213 S C -0.735 173.861 174.600 -0.006 0.000 1.129 213 S CA -0.642 57.523 58.200 -0.059 0.000 1.029 213 S CB 0.545 63.487 63.200 -0.430 0.000 1.007 213 S HN 0.323 nan 8.310 nan 0.000 0.484 214 S N 6.002 121.709 115.700 0.013 0.000 3.170 214 S HA 0.470 4.939 4.470 -0.000 0.000 0.257 214 S C -0.464 174.129 174.600 -0.011 0.000 1.284 214 S CA -0.790 57.420 58.200 0.018 0.000 0.973 214 S CB -0.069 63.153 63.200 0.037 0.000 1.330 214 S HN 0.631 nan 8.310 nan 0.000 0.493 215 L N 4.134 125.305 121.223 -0.087 0.000 2.298 215 L HA 0.593 4.933 4.340 -0.000 0.000 0.284 215 L C -0.576 176.188 176.870 -0.177 0.000 1.013 215 L CA -0.433 54.328 54.840 -0.132 0.000 0.824 215 L CB 1.228 43.101 42.059 -0.310 0.000 1.221 215 L HN 0.664 nan 8.230 nan 0.000 0.418 216 L N 2.416 123.635 121.223 -0.006 0.000 2.333 216 L HA 0.438 4.777 4.340 -0.000 0.000 0.269 216 L C 0.849 177.876 176.870 0.261 0.000 1.010 216 L CA -0.784 54.094 54.840 0.064 0.000 0.818 216 L CB 1.414 43.553 42.059 0.133 0.000 1.306 216 L HN 0.312 nan 8.230 nan 0.000 0.430 217 F N 0.386 120.509 119.950 0.288 0.000 2.161 217 F HA -0.159 4.368 4.527 -0.000 0.000 0.300 217 F C 2.305 178.350 175.800 0.410 0.000 1.089 217 F CA 1.317 59.623 58.000 0.510 0.000 1.282 217 F CB -0.402 38.770 39.000 0.285 0.000 1.010 217 F HN 0.506 nan 8.300 nan 0.000 0.485 218 K N 0.308 120.963 120.400 0.425 0.000 2.097 218 K HA -0.280 4.040 4.320 -0.000 0.000 0.214 218 K C 1.689 178.428 176.600 0.231 0.000 1.052 218 K CA 2.013 58.454 56.287 0.256 0.000 0.932 218 K CB -0.649 31.955 32.500 0.175 0.000 0.716 218 K HN 0.289 nan 8.250 nan 0.000 0.455 219 D N 0.427 120.972 120.400 0.242 0.000 2.192 219 D HA -0.249 4.391 4.640 -0.000 0.000 0.189 219 D C 1.877 178.288 176.300 0.186 0.000 1.007 219 D CA 1.863 55.992 54.000 0.215 0.000 0.859 219 D CB -0.258 40.678 40.800 0.227 0.000 0.936 219 D HN 0.336 nan 8.370 nan 0.000 0.447 220 A N 1.031 123.901 122.820 0.082 0.000 1.933 220 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 220 A C 2.506 179.999 177.584 -0.153 0.000 1.175 220 A CA 0.917 52.787 52.037 -0.278 0.000 0.628 220 A CB -0.815 17.727 19.000 -0.763 0.000 0.814 220 A HN 0.233 nan 8.150 nan 0.000 0.444 221 L N -0.175 121.065 121.223 0.029 0.000 2.030 221 L HA -0.356 3.984 4.340 -0.000 0.000 0.222 221 L C 2.252 179.213 176.870 0.151 0.000 1.082 221 L CA 2.039 56.935 54.840 0.093 0.000 0.785 221 L CB -1.020 41.104 42.059 0.109 0.000 0.895 221 L HN 0.419 nan 8.230 nan 0.000 0.439 222 D N -0.632 119.826 120.400 0.096 0.000 2.133 222 D HA -0.218 4.422 4.640 -0.000 0.000 0.195 222 D C 1.859 178.055 176.300 -0.173 0.000 0.997 222 D CA 1.661 55.629 54.000 -0.054 0.000 0.840 222 D CB -0.367 40.313 40.800 -0.199 0.000 0.947 222 D HN 0.439 nan 8.370 nan 0.000 0.452 223 Y N 0.084 120.261 120.300 -0.206 0.000 2.619 223 Y HA 0.126 4.676 4.550 -0.000 0.000 0.308 223 Y C 1.254 177.053 175.900 -0.167 0.000 1.192 223 Y CA 0.203 58.154 58.100 -0.249 0.000 1.319 223 Y CB -0.619 37.498 38.460 -0.572 0.000 1.030 223 Y HN -0.083 nan 8.280 nan 0.000 0.517 224 M N -0.753 118.856 119.600 0.014 0.000 2.796 224 M HA 0.370 4.850 4.480 -0.000 0.000 0.303 224 M C -0.493 175.827 176.300 0.034 0.000 1.240 224 M CA -0.834 54.502 55.300 0.060 0.000 0.831 224 M CB 2.065 34.714 32.600 0.083 0.000 1.750 224 M HN -0.088 nan 8.290 nan 0.000 0.484 225 E N 0.550 120.759 120.200 0.016 0.000 2.191 225 E HA 0.245 4.595 4.350 -0.000 0.000 0.278 225 E C -0.354 176.124 176.600 -0.203 0.000 0.972 225 E CA -0.498 55.852 56.400 -0.084 0.000 0.804 225 E CB 1.572 31.248 29.700 -0.039 0.000 1.110 225 E HN 0.487 nan 8.360 nan 0.000 0.394 226 K N 0.838 120.966 120.400 -0.453 0.000 2.589 226 K HA -0.089 4.231 4.320 -0.000 0.000 0.195 226 K C 1.110 177.565 176.600 -0.240 0.000 1.040 226 K CA 0.882 56.726 56.287 -0.738 0.000 0.950 226 K CB -0.074 32.040 32.500 -0.644 0.000 0.781 226 K HN 0.391 nan 8.250 nan 0.000 0.486 227 T N 0.464 114.964 114.554 -0.089 0.000 2.983 227 T HA -0.049 4.301 4.350 -0.000 0.000 0.250 227 T C 0.966 175.712 174.700 0.077 0.000 1.037 227 T CA 0.323 62.424 62.100 0.002 0.000 1.142 227 T CB 0.107 68.971 68.868 -0.006 0.000 0.876 227 T HN 0.348 nan 8.240 nan 0.000 0.455 228 S N 2.323 118.082 115.700 0.099 0.000 2.568 228 S HA 0.074 4.543 4.470 -0.000 0.000 0.282 228 S C 1.669 176.386 174.600 0.194 0.000 1.338 228 S CA -0.021 58.259 58.200 0.133 0.000 1.045 228 S CB 0.896 64.174 63.200 0.130 0.000 0.873 228 S HN 0.429 nan 8.310 nan 0.000 0.516 229 S N 1.007 116.809 115.700 0.170 0.000 2.440 229 S HA -0.211 4.259 4.470 -0.000 0.000 0.238 229 S C 0.936 175.673 174.600 0.229 0.000 1.010 229 S CA 1.431 59.746 58.200 0.192 0.000 0.972 229 S CB -0.816 62.472 63.200 0.147 0.000 0.774 229 S HN 0.816 nan 8.310 nan 0.000 0.501 230 D N 0.802 121.344 120.400 0.237 0.000 2.095 230 D HA -0.143 4.497 4.640 -0.000 0.000 0.192 230 D C 1.605 178.145 176.300 0.399 0.000 0.990 230 D CA 1.657 55.845 54.000 0.314 0.000 0.836 230 D CB -0.454 40.489 40.800 0.239 0.000 0.979 230 D HN 0.429 nan 8.370 nan 0.000 0.447 231 Y N 1.515 121.936 120.300 0.202 0.000 2.173 231 Y HA -0.330 4.220 4.550 -0.000 0.000 0.282 231 Y C 1.799 177.859 175.900 0.267 0.000 1.192 231 Y CA 1.583 59.805 58.100 0.203 0.000 1.176 231 Y CB -0.264 38.283 38.460 0.145 0.000 0.969 231 Y HN 0.007 nan 8.280 nan 0.000 0.519 232 N N 0.169 119.087 118.700 0.364 0.000 2.048 232 N HA -0.203 4.537 4.740 -0.000 0.000 0.193 232 N C 1.924 177.513 175.510 0.131 0.000 1.061 232 N CA 1.447 54.702 53.050 0.342 0.000 0.849 232 N CB -1.192 37.567 38.487 0.454 0.000 1.044 232 N HN 0.405 nan 8.380 nan 0.000 0.429 233 L N 0.012 121.307 121.223 0.120 0.000 2.085 233 L HA -0.217 4.123 4.340 -0.000 0.000 0.218 233 L C 1.948 178.699 176.870 -0.199 0.000 1.080 233 L CA 1.781 56.559 54.840 -0.103 0.000 0.776 233 L CB -0.464 41.443 42.059 -0.254 0.000 0.891 233 L HN 0.287 nan 8.230 nan 0.000 0.437 234 W N -0.470 120.775 121.300 -0.091 0.000 2.452 234 W HA -0.091 4.569 4.660 -0.000 0.000 0.313 234 W C 2.728 179.137 176.519 -0.183 0.000 1.176 234 W CA 1.307 58.656 57.345 0.005 0.000 1.350 234 W CB -0.666 28.843 29.460 0.081 0.000 1.148 234 W HN -0.040 nan 8.180 nan 0.000 0.498 235 K N 0.679 121.008 120.400 -0.117 0.000 2.281 235 K HA -0.190 4.130 4.320 -0.000 0.000 0.203 235 K C 1.831 178.155 176.600 -0.460 0.000 1.046 235 K CA 1.255 57.347 56.287 -0.325 0.000 0.938 235 K CB -0.629 31.567 32.500 -0.506 0.000 0.737 235 K HN 0.116 nan 8.250 nan 0.000 0.458 236 L N -0.046 120.838 121.223 -0.564 0.000 2.023 236 L HA -0.057 4.282 4.340 -0.000 0.000 0.205 236 L C 1.781 178.284 176.870 -0.611 0.000 1.073 236 L CA 1.919 56.268 54.840 -0.819 0.000 0.745 236 L CB -0.790 40.819 42.059 -0.750 0.000 0.900 236 L HN 0.164 nan 8.230 nan 0.000 0.435 237 S N -0.934 114.452 115.700 -0.523 0.000 2.382 237 S HA -0.195 4.275 4.470 -0.000 0.000 0.228 237 S C 2.040 176.386 174.600 -0.423 0.000 1.027 237 S CA 1.298 59.165 58.200 -0.556 0.000 0.991 237 S CB -0.747 61.612 63.200 -1.402 0.000 0.823 237 S HN 0.658 nan 8.310 nan 0.000 0.469 238 S N 0.726 116.242 115.700 -0.305 0.000 2.488 238 S HA -0.022 4.447 4.470 -0.000 0.000 0.246 238 S C 1.416 175.951 174.600 -0.108 0.000 0.992 238 S CA 0.774 58.949 58.200 -0.041 0.000 0.963 238 S CB -0.456 62.756 63.200 0.021 0.000 0.754 238 S HN 0.522 nan 8.310 nan 0.000 0.519 239 I N -0.393 120.018 120.570 -0.264 0.000 3.136 239 I HA 0.090 4.260 4.170 -0.000 0.000 0.262 239 I C 2.059 177.945 176.117 -0.384 0.000 1.132 239 I CA 0.225 61.349 61.300 -0.293 0.000 1.450 239 I CB -0.255 37.512 38.000 -0.389 0.000 1.315 239 I HN 0.207 nan 8.210 nan 0.000 0.460 240 L N 0.201 121.056 121.223 -0.613 0.000 2.083 240 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 240 L C 2.124 178.501 176.870 -0.820 0.000 1.083 240 L CA 1.932 56.160 54.840 -1.021 0.000 0.752 240 L CB -0.356 40.831 42.059 -1.454 0.000 0.899 240 L HN 0.237 nan 8.230 nan 0.000 0.433 241 F N -2.114 117.724 119.950 -0.188 0.000 2.619 241 F HA 0.143 4.670 4.527 -0.000 0.000 0.281 241 F C 0.797 176.620 175.800 0.038 0.000 1.065 241 F CA -0.906 57.086 58.000 -0.013 0.000 1.304 241 F CB -0.125 38.893 39.000 0.031 0.000 1.059 241 F HN -0.172 nan 8.300 nan 0.000 0.648 242 D N 4.453 124.992 120.400 0.232 0.000 2.487 242 D HA 0.044 4.684 4.640 -0.000 0.000 0.243 242 D C -2.145 174.216 176.300 0.102 0.000 1.154 242 D CA -0.868 53.246 54.000 0.191 0.000 0.876 242 D CB 0.158 41.070 40.800 0.186 0.000 1.161 242 D HN 0.023 nan 8.370 nan 0.000 0.478 243 P HA -0.052 nan 4.420 nan 0.000 0.265 243 P C -0.201 177.132 177.300 0.054 0.000 1.193 243 P CA -0.206 62.935 63.100 0.068 0.000 0.765 243 P CB 0.710 32.451 31.700 0.068 0.000 0.823 244 V N 4.037 123.979 119.914 0.047 0.000 2.432 244 V HA 0.133 4.253 4.120 -0.000 0.000 0.271 244 V C 0.789 176.923 176.094 0.067 0.000 1.046 244 V CA 0.241 62.572 62.300 0.052 0.000 0.945 244 V CB 0.821 32.674 31.823 0.050 0.000 0.992 244 V HN 0.732 nan 8.190 nan 0.000 0.471 245 S N 5.743 121.483 115.700 0.066 0.000 2.594 245 S HA 0.446 4.916 4.470 -0.000 0.000 0.322 245 S C -0.957 173.692 174.600 0.081 0.000 1.085 245 S CA -0.643 57.596 58.200 0.066 0.000 1.116 245 S CB 0.521 63.738 63.200 0.029 0.000 0.979 245 S HN 0.614 nan 8.310 nan 0.000 0.465 246 Y N 6.525 126.818 120.300 -0.010 0.000 2.425 246 Y HA 0.353 4.903 4.550 -0.000 0.000 0.347 246 Y C -1.028 174.836 175.900 -0.060 0.000 0.976 246 Y CA -1.746 56.346 58.100 -0.014 0.000 1.190 246 Y CB 0.712 39.186 38.460 0.023 0.000 1.136 246 Y HN 0.550 nan 8.280 nan 0.000 0.517 247 P HA -0.277 nan 4.420 nan 0.000 0.203 247 P C -0.304 176.660 177.300 -0.561 0.000 1.002 247 P CA 1.332 64.028 63.100 -0.675 0.000 0.964 247 P CB -0.311 30.741 31.700 -1.079 0.000 0.727 248 Y N 0.978 121.054 120.300 -0.373 0.000 2.729 248 Y HA 0.016 4.566 4.550 -0.000 0.000 0.331 248 Y C 1.315 177.285 175.900 0.117 0.000 1.208 248 Y CA -0.261 57.776 58.100 -0.105 0.000 1.521 248 Y CB -0.472 37.940 38.460 -0.080 0.000 1.233 248 Y HN -0.080 nan 8.280 nan 0.000 0.539 249 K N 3.709 124.232 120.400 0.206 0.000 2.349 249 K HA 0.229 4.549 4.320 -0.000 0.000 0.289 249 K C -0.118 176.591 176.600 0.181 0.000 1.064 249 K CA -0.094 56.303 56.287 0.183 0.000 0.947 249 K CB 0.727 33.288 32.500 0.103 0.000 1.007 249 K HN 0.598 nan 8.250 nan 0.000 0.478 250 T N 1.393 116.051 114.554 0.174 0.000 2.895 250 T HA 0.063 4.413 4.350 -0.000 0.000 0.283 250 T C 1.029 175.767 174.700 0.064 0.000 1.014 250 T CA -0.639 61.529 62.100 0.113 0.000 1.037 250 T CB 1.539 70.463 68.868 0.092 0.000 1.006 250 T HN 0.482 nan 8.240 nan 0.000 0.468 251 D N 1.325 121.752 120.400 0.046 0.000 2.312 251 D HA -0.067 4.573 4.640 -0.000 0.000 0.211 251 D C 0.358 176.669 176.300 0.018 0.000 0.964 251 D CA 0.446 54.464 54.000 0.030 0.000 0.877 251 D CB 0.278 41.093 40.800 0.025 0.000 0.924 251 D HN 0.269 nan 8.370 nan 0.000 0.515 252 N N 0.786 119.493 118.700 0.012 0.000 2.498 252 N HA 0.037 4.777 4.740 -0.000 0.000 0.287 252 N C -0.074 175.430 175.510 -0.010 0.000 1.097 252 N CA -0.052 52.996 53.050 -0.003 0.000 0.973 252 N CB 1.504 39.984 38.487 -0.013 0.000 1.153 252 N HN -0.100 nan 8.380 nan 0.000 0.472 253 D N 1.199 121.593 120.400 -0.011 0.000 2.500 253 D HA -0.007 4.633 4.640 -0.000 0.000 0.218 253 D C 0.859 177.147 176.300 -0.020 0.000 1.140 253 D CA 0.218 54.210 54.000 -0.014 0.000 0.830 253 D CB 0.664 41.461 40.800 -0.005 0.000 1.055 253 D HN 0.621 nan 8.370 nan 0.000 0.512 254 Q N 0.444 120.232 119.800 -0.019 0.000 2.269 254 Q HA 0.003 4.343 4.340 -0.000 0.000 0.201 254 Q C 1.762 177.742 176.000 -0.032 0.000 0.946 254 Q CA 0.814 56.605 55.803 -0.020 0.000 0.877 254 Q CB 0.486 29.215 28.738 -0.015 0.000 0.963 254 Q HN -0.044 nan 8.270 nan 0.000 0.472 255 V N 0.599 120.488 119.914 -0.043 0.000 2.300 255 V HA -0.164 3.955 4.120 -0.000 0.000 0.241 255 V C 2.192 178.224 176.094 -0.104 0.000 1.034 255 V CA 1.851 64.110 62.300 -0.068 0.000 1.021 255 V CB -0.456 31.325 31.823 -0.070 0.000 0.662 255 V HN 0.348 nan 8.190 nan 0.000 0.458 256 K N -0.637 119.695 120.400 -0.113 0.000 2.218 256 K HA -0.226 4.094 4.320 -0.000 0.000 0.205 256 K C 2.091 178.636 176.600 -0.091 0.000 1.046 256 K CA 1.596 57.796 56.287 -0.145 0.000 0.933 256 K CB -0.092 32.357 32.500 -0.085 0.000 0.728 256 K HN 0.239 nan 8.250 nan 0.000 0.454 257 M N -0.355 119.211 119.600 -0.055 0.000 2.349 257 M HA -0.003 4.477 4.480 -0.000 0.000 0.266 257 M C 2.024 178.305 176.300 -0.032 0.000 1.076 257 M CA 0.988 56.269 55.300 -0.032 0.000 1.126 257 M CB -0.281 32.308 32.600 -0.018 0.000 1.392 257 M HN 0.248 nan 8.290 nan 0.000 0.440 258 A N -0.774 122.019 122.820 -0.045 0.000 2.132 258 A HA 0.113 4.433 4.320 -0.000 0.000 0.213 258 A C 2.144 179.698 177.584 -0.050 0.000 1.154 258 A CA 0.352 52.365 52.037 -0.039 0.000 0.753 258 A CB -0.304 18.673 19.000 -0.039 0.000 0.826 258 A HN 0.396 nan 8.150 nan 0.000 0.469 259 L N -0.559 120.613 121.223 -0.085 0.000 2.102 259 L HA -0.030 4.310 4.340 -0.000 0.000 0.202 259 L C 2.310 179.152 176.870 -0.047 0.000 1.076 259 L CA 0.818 55.597 54.840 -0.101 0.000 0.761 259 L CB -0.377 41.538 42.059 -0.241 0.000 0.921 259 L HN 0.370 nan 8.230 nan 0.000 0.444 260 L N 0.012 121.211 121.223 -0.040 0.000 2.141 260 L HA -0.192 4.147 4.340 -0.000 0.000 0.209 260 L C 2.568 179.449 176.870 0.018 0.000 1.094 260 L CA 1.017 55.861 54.840 0.007 0.000 0.763 260 L CB -0.714 41.352 42.059 0.012 0.000 0.908 260 L HN 0.260 nan 8.230 nan 0.000 0.437 261 K N 1.498 121.905 120.400 0.010 0.000 2.152 261 K HA -0.240 4.080 4.320 -0.000 0.000 0.206 261 K C 2.047 178.681 176.600 0.057 0.000 1.048 261 K CA 1.828 58.133 56.287 0.030 0.000 0.933 261 K CB -0.099 32.412 32.500 0.018 0.000 0.721 261 K HN 0.165 nan 8.250 nan 0.000 0.447 262 K N 0.092 120.514 120.400 0.038 0.000 2.276 262 K HA 0.026 4.346 4.320 -0.000 0.000 0.198 262 K C 1.991 178.636 176.600 0.074 0.000 1.052 262 K CA 0.598 56.917 56.287 0.054 0.000 0.984 262 K CB 0.049 32.540 32.500 -0.015 0.000 0.836 262 K HN 0.303 nan 8.250 nan 0.000 0.490 263 E N 0.710 120.942 120.200 0.053 0.000 2.160 263 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 263 E C 1.975 178.608 176.600 0.055 0.000 0.991 263 E CA 1.001 57.439 56.400 0.063 0.000 0.810 263 E CB 0.138 29.883 29.700 0.075 0.000 0.742 263 E HN 0.184 nan 8.360 nan 0.000 0.466 264 R N -0.577 119.950 120.500 0.045 0.000 2.093 264 R HA -0.126 4.214 4.340 -0.000 0.000 0.224 264 R C 2.608 178.917 176.300 0.015 0.000 1.101 264 R CA 1.072 57.174 56.100 0.003 0.000 0.979 264 R CB -0.249 30.041 30.300 -0.016 0.000 0.877 264 R HN 0.292 nan 8.270 nan 0.000 0.441 265 H N 0.351 119.406 119.070 -0.026 0.000 2.290 265 H HA -0.162 4.394 4.556 -0.000 0.000 0.298 265 H C 1.914 177.229 175.328 -0.022 0.000 1.087 265 H CA 2.159 58.192 56.048 -0.025 0.000 1.291 265 H CB -0.346 29.405 29.762 -0.019 0.000 1.369 265 H HN 0.299 nan 8.280 nan 0.000 0.492 266 C N 1.391 120.825 119.300 0.222 0.000 2.418 266 C HA -0.094 4.366 4.460 -0.000 0.000 0.280 266 C C 2.948 177.991 174.990 0.088 0.000 1.223 266 C CA 0.600 59.707 59.018 0.148 0.000 1.736 266 C CB -0.854 26.940 27.740 0.089 0.000 2.056 266 C HN 0.573 nan 8.230 nan 0.000 0.459 267 R N 0.362 120.896 120.500 0.056 0.000 2.178 267 R HA -0.223 4.117 4.340 -0.000 0.000 0.257 267 R C 1.986 178.307 176.300 0.035 0.000 1.163 267 R CA 1.651 57.771 56.100 0.034 0.000 0.981 267 R CB -1.099 29.196 30.300 -0.008 0.000 0.878 267 R HN 0.618 nan 8.270 nan 0.000 0.454 268 L N 0.255 121.470 121.223 -0.014 0.000 2.044 268 L HA -0.122 4.218 4.340 -0.000 0.000 0.205 268 L C 2.164 179.110 176.870 0.125 0.000 1.075 268 L CA 1.865 56.700 54.840 -0.008 0.000 0.747 268 L CB -0.408 41.559 42.059 -0.153 0.000 0.903 268 L HN 0.155 nan 8.230 nan 0.000 0.435 269 T N -2.103 112.483 114.554 0.053 0.000 2.737 269 T HA -0.129 4.221 4.350 -0.000 0.000 0.265 269 T C 1.923 176.664 174.700 0.068 0.000 1.038 269 T CA 1.379 63.506 62.100 0.045 0.000 1.144 269 T CB -0.671 68.213 68.868 0.027 0.000 0.866 269 T HN 0.305 nan 8.240 nan 0.000 0.434 270 S N 0.417 116.168 115.700 0.084 0.000 2.441 270 S HA -0.141 4.329 4.470 -0.000 0.000 0.242 270 S C 1.428 176.102 174.600 0.124 0.000 1.018 270 S CA 1.312 59.560 58.200 0.080 0.000 0.988 270 S CB -0.429 62.821 63.200 0.083 0.000 0.778 270 S HN 0.727 nan 8.310 nan 0.000 0.498 271 W N 1.815 123.100 121.300 -0.026 0.000 2.539 271 W HA 0.176 4.836 4.660 -0.000 0.000 0.299 271 W C 1.574 178.078 176.519 -0.025 0.000 1.165 271 W CA 0.407 57.743 57.345 -0.015 0.000 1.400 271 W CB -0.473 28.977 29.460 -0.017 0.000 1.123 271 W HN 0.135 nan 8.180 nan 0.000 0.533 272 I N 0.984 121.517 120.570 -0.063 0.000 2.423 272 I HA -0.300 3.870 4.170 -0.000 0.000 0.254 272 I C 1.949 177.866 176.117 -0.333 0.000 1.151 272 I CA 1.162 62.235 61.300 -0.378 0.000 1.421 272 I CB -1.010 36.897 38.000 -0.155 0.000 1.079 272 I HN -0.139 nan 8.210 nan 0.000 0.431 273 V N 0.034 119.833 119.914 -0.191 0.000 2.594 273 V HA -0.211 3.909 4.120 -0.000 0.000 0.253 273 V C 2.172 178.151 176.094 -0.192 0.000 1.069 273 V CA 1.837 64.038 62.300 -0.164 0.000 1.082 273 V CB -0.487 31.278 31.823 -0.097 0.000 0.680 273 V HN 0.369 nan 8.190 nan 0.000 0.469 274 S N -0.991 114.573 115.700 -0.227 0.000 2.593 274 S HA 0.025 4.495 4.470 -0.000 0.000 0.217 274 S C 1.738 176.158 174.600 -0.299 0.000 0.966 274 S CA 0.276 58.349 58.200 -0.211 0.000 0.914 274 S CB 0.052 63.173 63.200 -0.132 0.000 0.776 274 S HN 0.551 nan 8.310 nan 0.000 0.523 275 Q N 0.265 119.810 119.800 -0.425 0.000 2.471 275 Q HA 0.331 4.671 4.340 -0.000 0.000 0.241 275 Q C 1.552 177.373 176.000 -0.299 0.000 0.886 275 Q CA 0.501 56.048 55.803 -0.427 0.000 0.953 275 Q CB 0.068 28.387 28.738 -0.699 0.000 1.108 275 Q HN 0.504 nan 8.270 nan 0.000 0.575 276 I N 0.881 121.277 120.570 -0.290 0.000 3.684 276 I HA 0.008 4.178 4.170 -0.000 0.000 0.304 276 I C 1.889 177.903 176.117 -0.172 0.000 1.278 276 I CA 0.307 61.477 61.300 -0.216 0.000 1.272 276 I CB -0.339 37.537 38.000 -0.206 0.000 1.029 276 I HN 0.104 nan 8.210 nan 0.000 0.458 277 G N 3.421 112.116 108.800 -0.175 0.000 2.777 277 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 277 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 277 G C -0.198 174.629 174.900 -0.123 0.000 1.295 277 G CA 1.180 46.194 45.100 -0.144 0.000 0.800 277 G HN 0.270 nan 8.290 nan 0.000 0.637 278 P HA -0.127 nan 4.420 nan 0.000 0.215 278 P C 1.515 178.758 177.300 -0.095 0.000 1.153 278 P CA 1.805 64.852 63.100 -0.089 0.000 0.853 278 P CB -0.161 31.494 31.700 -0.075 0.000 0.788 279 E N -0.407 119.728 120.200 -0.109 0.000 2.114 279 E HA -0.190 4.160 4.350 -0.000 0.000 0.199 279 E C 1.931 178.455 176.600 -0.127 0.000 1.008 279 E CA 1.329 57.659 56.400 -0.118 0.000 0.810 279 E CB -0.189 29.434 29.700 -0.128 0.000 0.739 279 E HN 0.258 nan 8.360 nan 0.000 0.456 280 I N -0.879 119.621 120.570 -0.115 0.000 3.194 280 I HA -0.057 4.113 4.170 -0.000 0.000 0.271 280 I C 2.259 178.321 176.117 -0.092 0.000 1.150 280 I CA 0.079 61.319 61.300 -0.100 0.000 1.440 280 I CB -0.281 37.673 38.000 -0.076 0.000 1.276 280 I HN 0.059 nan 8.210 nan 0.000 0.457 281 E N 1.234 121.366 120.200 -0.113 0.000 2.169 281 E HA -0.319 4.031 4.350 -0.000 0.000 0.202 281 E C 2.043 178.609 176.600 -0.058 0.000 1.016 281 E CA 1.859 58.195 56.400 -0.108 0.000 0.817 281 E CB 0.056 29.691 29.700 -0.109 0.000 0.736 281 E HN 0.347 nan 8.360 nan 0.000 0.462 282 E N 0.891 121.055 120.200 -0.059 0.000 2.170 282 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 282 E C 1.768 178.346 176.600 -0.037 0.000 0.981 282 E CA 0.778 57.153 56.400 -0.043 0.000 0.830 282 E CB -0.024 29.645 29.700 -0.051 0.000 0.775 282 E HN 0.076 nan 8.360 nan 0.000 0.470 283 K N 0.517 120.883 120.400 -0.056 0.000 2.515 283 K HA -0.011 4.309 4.320 -0.000 0.000 0.196 283 K C 1.872 178.468 176.600 -0.005 0.000 1.038 283 K CA 0.461 56.714 56.287 -0.057 0.000 0.967 283 K CB 0.003 32.432 32.500 -0.118 0.000 0.780 283 K HN 0.191 nan 8.250 nan 0.000 0.483 284 I N 0.156 120.737 120.570 0.019 0.000 3.228 284 I HA -0.073 4.097 4.170 -0.000 0.000 0.279 284 I C 1.533 177.685 176.117 0.059 0.000 1.221 284 I CA 0.202 61.545 61.300 0.071 0.000 1.458 284 I CB 0.097 38.176 38.000 0.132 0.000 1.105 284 I HN 0.059 nan 8.210 nan 0.000 0.445 285 R N 0.768 121.287 120.500 0.033 0.000 2.328 285 R HA -0.062 4.278 4.340 -0.000 0.000 0.207 285 R C 1.090 177.402 176.300 0.020 0.000 1.056 285 R CA 0.669 56.784 56.100 0.026 0.000 1.016 285 R CB -0.455 29.852 30.300 0.011 0.000 0.872 285 R HN 0.287 nan 8.270 nan 0.000 0.471 286 N N 0.242 118.954 118.700 0.020 0.000 2.398 286 N HA -0.019 4.721 4.740 -0.000 0.000 0.188 286 N C -0.575 174.951 175.510 0.026 0.000 1.122 286 N CA 0.290 53.350 53.050 0.016 0.000 0.866 286 N CB 0.632 39.123 38.487 0.006 0.000 0.970 286 N HN 0.152 nan 8.380 nan 0.000 0.462 287 S N -2.227 113.494 115.700 0.036 0.000 2.541 287 S HA 0.419 4.889 4.470 -0.000 0.000 0.280 287 S C 0.150 174.769 174.600 0.030 0.000 1.112 287 S CA -0.807 57.415 58.200 0.036 0.000 0.925 287 S CB 1.904 65.134 63.200 0.050 0.000 1.067 287 S HN -0.095 nan 8.310 nan 0.000 0.479 288 S N 1.554 117.270 115.700 0.026 0.000 2.710 288 S HA 0.207 4.677 4.470 -0.000 0.000 0.224 288 S C 0.263 174.877 174.600 0.023 0.000 0.948 288 S CA -0.317 57.896 58.200 0.021 0.000 0.949 288 S CB -0.645 62.565 63.200 0.018 0.000 0.778 288 S HN 0.699 nan 8.310 nan 0.000 0.498 289 N N 1.858 120.577 118.700 0.031 0.000 2.558 289 N HA 0.181 4.921 4.740 -0.000 0.000 0.242 289 N C 0.435 175.966 175.510 0.034 0.000 0.979 289 N CA -0.168 52.903 53.050 0.035 0.000 0.931 289 N CB 0.962 39.476 38.487 0.045 0.000 1.122 289 N HN 0.191 nan 8.380 nan 0.000 0.508 290 E N 2.630 122.842 120.200 0.021 0.000 2.106 290 E HA -0.060 4.290 4.350 -0.000 0.000 0.192 290 E C 1.377 177.983 176.600 0.010 0.000 0.984 290 E CA 0.926 57.328 56.400 0.003 0.000 0.806 290 E CB 0.355 30.049 29.700 -0.010 0.000 0.750 290 E HN 0.643 nan 8.360 nan 0.000 0.458 291 I N 1.338 121.923 120.570 0.026 0.000 2.286 291 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 291 I C 2.605 178.759 176.117 0.063 0.000 1.115 291 I CA 1.175 62.493 61.300 0.031 0.000 1.392 291 I CB -0.185 37.838 38.000 0.038 0.000 1.065 291 I HN 0.135 nan 8.210 nan 0.000 0.418 292 E N 0.689 120.938 120.200 0.082 0.000 2.107 292 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 292 E C 2.199 178.908 176.600 0.182 0.000 0.982 292 E CA 0.874 57.362 56.400 0.147 0.000 0.809 292 E CB 0.088 29.867 29.700 0.130 0.000 0.756 292 E HN 0.519 nan 8.360 nan 0.000 0.459 293 Q N 0.354 120.221 119.800 0.111 0.000 2.061 293 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 293 Q C 2.352 178.419 176.000 0.113 0.000 0.984 293 Q CA 1.571 57.437 55.803 0.105 0.000 0.846 293 Q CB -0.125 28.621 28.738 0.014 0.000 0.902 293 Q HN 0.416 nan 8.270 nan 0.000 0.421 294 I N 0.185 120.782 120.570 0.046 0.000 2.069 294 I HA -0.310 3.860 4.170 -0.000 0.000 0.237 294 I C 2.270 178.476 176.117 0.148 0.000 1.053 294 I CA 1.371 62.693 61.300 0.036 0.000 1.311 294 I CB -0.538 37.460 38.000 -0.004 0.000 1.030 294 I HN 0.197 nan 8.210 nan 0.000 0.398 295 F N 1.735 121.689 119.950 0.006 0.000 2.184 295 F HA -0.244 4.283 4.527 -0.000 0.000 0.301 295 F C 2.155 177.997 175.800 0.070 0.000 1.076 295 F CA 1.608 59.608 58.000 -0.000 0.000 1.295 295 F CB -0.350 38.636 39.000 -0.024 0.000 1.026 295 F HN -0.038 nan 8.300 nan 0.000 0.494 296 L N -1.683 119.551 121.223 0.019 0.000 2.240 296 L HA -0.188 4.152 4.340 -0.000 0.000 0.211 296 L C 1.990 178.873 176.870 0.022 0.000 1.106 296 L CA 0.753 55.574 54.840 -0.031 0.000 0.793 296 L CB -0.762 41.376 42.059 0.132 0.000 0.927 296 L HN 0.112 nan 8.230 nan 0.000 0.446 297 Y N -0.074 120.185 120.300 -0.068 0.000 2.395 297 Y HA -0.075 4.475 4.550 -0.000 0.000 0.293 297 Y C 2.292 178.163 175.900 -0.049 0.000 1.123 297 Y CA 0.772 58.844 58.100 -0.046 0.000 1.227 297 Y CB -0.046 38.399 38.460 -0.024 0.000 1.012 297 Y HN 0.048 nan 8.280 nan 0.000 0.552 298 L N -1.200 120.061 121.223 0.063 0.000 2.072 298 L HA -0.212 4.127 4.340 -0.000 0.000 0.205 298 L C 2.222 179.125 176.870 0.054 0.000 1.079 298 L CA 0.912 55.779 54.840 0.045 0.000 0.752 298 L CB -0.558 41.478 42.059 -0.038 0.000 0.906 298 L HN 0.211 nan 8.230 nan 0.000 0.436 299 L N -0.197 120.952 121.223 -0.124 0.000 2.129 299 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 299 L C 1.878 178.698 176.870 -0.084 0.000 1.087 299 L CA 1.089 55.848 54.840 -0.134 0.000 0.757 299 L CB -0.097 41.809 42.059 -0.255 0.000 0.896 299 L HN 0.306 nan 8.230 nan 0.000 0.434 300 L N -0.553 120.612 121.223 -0.096 0.000 2.645 300 L HA 0.058 4.398 4.340 -0.000 0.000 0.234 300 L C 0.814 177.640 176.870 -0.073 0.000 1.165 300 L CA -0.028 54.740 54.840 -0.119 0.000 0.944 300 L CB -0.781 41.159 42.059 -0.198 0.000 1.149 300 L HN 0.402 nan 8.230 nan 0.000 0.446 301 N N 1.044 119.737 118.700 -0.010 0.000 2.708 301 N HA -0.262 4.478 4.740 -0.000 0.000 0.251 301 N C 0.162 175.694 175.510 0.037 0.000 1.123 301 N CA 0.786 53.852 53.050 0.027 0.000 0.739 301 N CB -0.970 37.489 38.487 -0.047 0.000 1.113 301 N HN 0.374 nan 8.380 nan 0.000 0.561 302 D N 0.226 120.643 120.400 0.029 0.000 2.557 302 D HA 0.203 4.843 4.640 -0.000 0.000 0.236 302 D C 1.158 177.520 176.300 0.103 0.000 1.154 302 D CA -0.270 53.756 54.000 0.042 0.000 0.985 302 D CB 0.305 41.097 40.800 -0.014 0.000 1.010 302 D HN 0.124 nan 8.370 nan 0.000 0.516 303 V N 2.493 122.454 119.914 0.079 0.000 2.407 303 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 303 V C 2.397 178.517 176.094 0.044 0.000 1.055 303 V CA 1.171 63.506 62.300 0.058 0.000 1.049 303 V CB 0.081 31.928 31.823 0.040 0.000 0.662 303 V HN 0.406 nan 8.190 nan 0.000 0.455 304 V N -0.278 119.665 119.914 0.049 0.000 2.307 304 V HA -0.225 3.895 4.120 -0.000 0.000 0.245 304 V C 2.404 178.527 176.094 0.049 0.000 1.045 304 V CA 2.016 64.337 62.300 0.035 0.000 1.024 304 V CB -0.736 31.106 31.823 0.033 0.000 0.651 304 V HN 0.449 nan 8.190 nan 0.000 0.449 305 R N -0.209 120.362 120.500 0.119 0.000 2.275 305 R HA 0.140 4.480 4.340 -0.000 0.000 0.199 305 R C 2.121 178.417 176.300 -0.006 0.000 0.989 305 R CA 0.888 57.065 56.100 0.128 0.000 1.016 305 R CB -0.235 30.291 30.300 0.376 0.000 0.918 305 R HN 0.526 nan 8.270 nan 0.000 0.473 306 A N -0.318 122.550 122.820 0.079 0.000 2.123 306 A HA 0.006 4.326 4.320 -0.000 0.000 0.214 306 A C 1.992 179.535 177.584 -0.067 0.000 1.152 306 A CA 0.864 52.893 52.037 -0.013 0.000 0.728 306 A CB 0.085 19.141 19.000 0.094 0.000 0.814 306 A HN 0.159 nan 8.150 nan 0.000 0.464 307 S N -0.802 114.869 115.700 -0.048 0.000 2.427 307 S HA 0.016 4.486 4.470 -0.000 0.000 0.224 307 S C 1.926 176.486 174.600 -0.066 0.000 1.047 307 S CA 0.784 58.946 58.200 -0.062 0.000 0.953 307 S CB -0.184 62.985 63.200 -0.051 0.000 0.824 307 S HN 0.530 nan 8.310 nan 0.000 0.502 308 K N 0.469 120.834 120.400 -0.058 0.000 2.173 308 K HA -0.135 4.185 4.320 -0.000 0.000 0.207 308 K C 1.847 178.400 176.600 -0.079 0.000 1.046 308 K CA 1.318 57.571 56.287 -0.057 0.000 0.929 308 K CB -0.215 32.257 32.500 -0.046 0.000 0.720 308 K HN 0.261 nan 8.250 nan 0.000 0.453 309 L N 0.075 121.226 121.223 -0.121 0.000 2.127 309 L HA -0.000 4.340 4.340 -0.000 0.000 0.203 309 L C 2.113 178.928 176.870 -0.092 0.000 1.080 309 L CA 1.377 56.136 54.840 -0.135 0.000 0.768 309 L CB -0.450 41.472 42.059 -0.229 0.000 0.924 309 L HN 0.076 nan 8.230 nan 0.000 0.444 310 A N -0.140 122.626 122.820 -0.089 0.000 1.917 310 A HA -0.233 4.087 4.320 -0.000 0.000 0.219 310 A C 2.233 179.793 177.584 -0.039 0.000 1.182 310 A CA 2.355 54.349 52.037 -0.071 0.000 0.633 310 A CB -0.878 18.067 19.000 -0.093 0.000 0.819 310 A HN 0.495 nan 8.150 nan 0.000 0.448 311 I N -1.345 119.202 120.570 -0.038 0.000 2.406 311 I HA -0.125 4.045 4.170 -0.000 0.000 0.249 311 I C 2.307 178.416 176.117 -0.015 0.000 1.122 311 I CA 1.390 62.679 61.300 -0.019 0.000 1.431 311 I CB -0.259 37.728 38.000 -0.022 0.000 1.087 311 I HN 0.318 nan 8.210 nan 0.000 0.424 312 E N 1.050 121.233 120.200 -0.028 0.000 2.472 312 E HA -0.146 4.204 4.350 -0.000 0.000 0.200 312 E C 1.796 178.386 176.600 -0.017 0.000 1.046 312 E CA 1.034 57.420 56.400 -0.024 0.000 0.871 312 E CB 0.024 29.702 29.700 -0.036 0.000 0.806 312 E HN 0.455 nan 8.360 nan 0.000 0.533 313 S N -0.952 114.740 115.700 -0.013 0.000 2.559 313 S HA 0.200 4.670 4.470 -0.000 0.000 0.226 313 S C 0.547 175.157 174.600 0.016 0.000 1.000 313 S CA 0.078 58.277 58.200 -0.001 0.000 0.948 313 S CB 0.155 63.352 63.200 -0.005 0.000 0.870 313 S HN 0.144 nan 8.310 nan 0.000 0.497 314 K N 1.278 121.691 120.400 0.022 0.000 3.235 314 K HA -0.098 4.222 4.320 -0.000 0.000 0.273 314 K C -1.045 175.598 176.600 0.071 0.000 1.183 314 K CA 0.723 57.031 56.287 0.036 0.000 0.807 314 K CB -2.295 30.220 32.500 0.026 0.000 1.297 314 K HN 0.468 nan 8.250 nan 0.000 0.508 315 N N -0.641 118.112 118.700 0.087 0.000 2.571 315 N HA 0.162 4.902 4.740 -0.000 0.000 0.298 315 N C 1.100 176.705 175.510 0.158 0.000 1.671 315 N CA 0.466 53.617 53.050 0.168 0.000 0.900 315 N CB 0.971 39.515 38.487 0.096 0.000 1.365 315 N HN 0.377 nan 8.380 nan 0.000 0.493 316 G N 1.346 110.244 108.800 0.162 0.000 2.513 316 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.219 316 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.219 316 G C 1.331 176.302 174.900 0.118 0.000 1.160 316 G CA 1.324 46.490 45.100 0.109 0.000 0.767 316 G HN 0.571 nan 8.290 nan 0.000 0.571 317 H N 0.733 119.814 119.070 0.019 0.000 2.496 317 H HA -0.032 4.524 4.556 -0.000 0.000 0.296 317 H C 2.295 177.621 175.328 -0.003 0.000 1.107 317 H CA 1.266 57.334 56.048 0.033 0.000 1.263 317 H CB -0.834 28.977 29.762 0.082 0.000 1.369 317 H HN 0.380 nan 8.280 nan 0.000 0.541 318 L N 0.211 121.138 121.223 -0.494 0.000 2.023 318 L HA -0.143 4.197 4.340 -0.000 0.000 0.205 318 L C 2.873 179.604 176.870 -0.231 0.000 1.073 318 L CA 1.266 55.843 54.840 -0.438 0.000 0.745 318 L CB -0.692 41.131 42.059 -0.393 0.000 0.900 318 L HN 0.281 nan 8.230 nan 0.000 0.435 319 S N -0.387 115.220 115.700 -0.155 0.000 2.413 319 S HA -0.199 4.271 4.470 -0.000 0.000 0.237 319 S C 1.904 176.429 174.600 -0.124 0.000 1.044 319 S CA 1.427 59.558 58.200 -0.114 0.000 1.024 319 S CB -0.187 62.968 63.200 -0.075 0.000 0.829 319 S HN 0.196 nan 8.310 nan 0.000 0.475 320 V N 1.995 121.844 119.914 -0.107 0.000 2.244 320 V HA -0.149 3.971 4.120 -0.000 0.000 0.244 320 V C 2.324 178.328 176.094 -0.151 0.000 1.042 320 V CA 1.993 64.223 62.300 -0.117 0.000 1.006 320 V CB -0.676 31.140 31.823 -0.012 0.000 0.641 320 V HN 0.494 nan 8.190 nan 0.000 0.446 321 L N -0.518 120.656 121.223 -0.081 0.000 1.989 321 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 321 L C 2.459 179.271 176.870 -0.097 0.000 1.071 321 L CA 1.883 56.701 54.840 -0.036 0.000 0.749 321 L CB -0.864 41.097 42.059 -0.163 0.000 0.890 321 L HN 0.238 nan 8.230 nan 0.000 0.431 322 I N 0.218 120.695 120.570 -0.156 0.000 2.367 322 I HA -0.384 3.786 4.170 -0.000 0.000 0.256 322 I C 2.902 178.949 176.117 -0.117 0.000 1.132 322 I CA 1.666 62.882 61.300 -0.139 0.000 1.397 322 I CB -0.174 37.747 38.000 -0.131 0.000 1.074 322 I HN 0.398 nan 8.210 nan 0.000 0.435 323 S N 0.165 115.761 115.700 -0.173 0.000 2.357 323 S HA -0.197 4.273 4.470 -0.000 0.000 0.221 323 S C 2.065 176.544 174.600 -0.202 0.000 1.031 323 S CA 1.079 59.141 58.200 -0.229 0.000 0.982 323 S CB -0.456 62.513 63.200 -0.385 0.000 0.853 323 S HN 0.500 nan 8.310 nan 0.000 0.458 324 Y N 0.820 121.098 120.300 -0.038 0.000 2.421 324 Y HA 0.026 4.576 4.550 -0.000 0.000 0.292 324 Y C 2.225 178.106 175.900 -0.031 0.000 1.136 324 Y CA 0.405 58.488 58.100 -0.029 0.000 1.255 324 Y CB -0.187 38.256 38.460 -0.028 0.000 0.991 324 Y HN 0.288 nan 8.280 nan 0.000 0.552 325 L N 0.342 121.608 121.223 0.071 0.000 2.051 325 L HA -0.226 4.114 4.340 -0.000 0.000 0.214 325 L C 2.369 179.290 176.870 0.084 0.000 1.076 325 L CA 2.236 57.088 54.840 0.019 0.000 0.758 325 L CB -1.012 40.997 42.059 -0.083 0.000 0.890 325 L HN 0.209 nan 8.230 nan 0.000 0.433 326 G N -1.932 106.914 108.800 0.076 0.000 2.509 326 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.218 326 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.218 326 G C 0.533 175.465 174.900 0.053 0.000 1.124 326 G CA 0.714 45.859 45.100 0.075 0.000 0.776 326 G HN 0.570 nan 8.290 nan 0.000 0.547 327 S N -1.056 114.685 115.700 0.069 0.000 2.671 327 S HA 0.538 5.008 4.470 -0.000 0.000 0.299 327 S C -1.005 173.623 174.600 0.047 0.000 1.116 327 S CA -1.023 57.207 58.200 0.050 0.000 0.912 327 S CB 2.071 65.308 63.200 0.061 0.000 1.130 327 S HN -0.023 nan 8.310 nan 0.000 0.501 328 N N 1.627 120.337 118.700 0.017 0.000 2.439 328 N HA 0.346 5.086 4.740 -0.000 0.000 0.249 328 N C -1.900 173.601 175.510 -0.014 0.000 1.003 328 N CA 0.046 53.096 53.050 -0.000 0.000 0.942 328 N CB 0.878 39.355 38.487 -0.016 0.000 1.115 328 N HN 0.731 nan 8.380 nan 0.000 0.505 329 D N 4.354 124.732 120.400 -0.036 0.000 2.696 329 D HA 0.302 4.942 4.640 -0.000 0.000 0.251 329 D C -1.738 174.516 176.300 -0.078 0.000 1.188 329 D CA -1.676 52.277 54.000 -0.077 0.000 0.876 329 D CB 2.489 43.189 40.800 -0.167 0.000 1.334 329 D HN 0.279 nan 8.370 nan 0.000 0.540 330 P HA -0.123 nan 4.420 nan 0.000 0.218 330 P C 1.090 178.357 177.300 -0.056 0.000 1.149 330 P CA 0.682 63.755 63.100 -0.045 0.000 0.817 330 P CB 0.820 32.502 31.700 -0.031 0.000 0.785 331 R N -0.210 120.240 120.500 -0.084 0.000 2.082 331 R HA -0.113 4.227 4.340 -0.000 0.000 0.234 331 R C 2.531 178.778 176.300 -0.090 0.000 1.136 331 R CA 1.459 57.505 56.100 -0.089 0.000 0.935 331 R CB -1.049 29.173 30.300 -0.130 0.000 0.842 331 R HN 0.148 nan 8.270 nan 0.000 0.430 332 I N 1.001 121.481 120.570 -0.150 0.000 2.163 332 I HA -0.276 3.894 4.170 -0.000 0.000 0.243 332 I C 2.530 178.628 176.117 -0.030 0.000 1.085 332 I CA 1.448 62.682 61.300 -0.110 0.000 1.347 332 I CB -1.098 36.805 38.000 -0.162 0.000 1.044 332 I HN 0.234 nan 8.210 nan 0.000 0.408 333 R N 0.907 121.385 120.500 -0.036 0.000 2.115 333 R HA -0.227 4.113 4.340 -0.000 0.000 0.239 333 R C 2.049 178.349 176.300 0.000 0.000 1.133 333 R CA 2.299 58.392 56.100 -0.012 0.000 0.935 333 R CB -0.191 30.100 30.300 -0.015 0.000 0.853 333 R HN 0.357 nan 8.270 nan 0.000 0.433 334 D N 0.170 120.567 120.400 -0.006 0.000 2.144 334 D HA -0.150 4.490 4.640 -0.000 0.000 0.200 334 D C 1.833 178.142 176.300 0.015 0.000 0.978 334 D CA 0.816 54.818 54.000 0.003 0.000 0.833 334 D CB -0.103 40.696 40.800 -0.002 0.000 0.961 334 D HN 0.172 nan 8.370 nan 0.000 0.470 335 L N 0.739 121.974 121.223 0.020 0.000 2.191 335 L HA -0.056 4.284 4.340 -0.000 0.000 0.212 335 L C 1.929 178.844 176.870 0.075 0.000 1.103 335 L CA 1.388 56.258 54.840 0.049 0.000 0.769 335 L CB -0.463 41.630 42.059 0.056 0.000 0.908 335 L HN -0.090 nan 8.230 nan 0.000 0.438 336 A N -1.207 121.660 122.820 0.078 0.000 1.887 336 A HA -0.062 4.258 4.320 -0.000 0.000 0.212 336 A C 2.279 179.853 177.584 -0.017 0.000 1.198 336 A CA 0.936 53.031 52.037 0.097 0.000 0.628 336 A CB -0.481 18.613 19.000 0.156 0.000 0.847 336 A HN 0.475 nan 8.150 nan 0.000 0.449 337 E N -0.314 119.885 120.200 -0.000 0.000 2.028 337 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 337 E C 1.779 178.376 176.600 -0.006 0.000 0.988 337 E CA 0.782 57.175 56.400 -0.012 0.000 0.799 337 E CB -0.100 29.601 29.700 0.003 0.000 0.755 337 E HN 0.333 nan 8.360 nan 0.000 0.447 338 L N 1.267 122.497 121.223 0.011 0.000 2.261 338 L HA -0.207 4.133 4.340 -0.000 0.000 0.216 338 L C 2.287 179.186 176.870 0.048 0.000 1.114 338 L CA 1.579 56.434 54.840 0.025 0.000 0.777 338 L CB -0.892 41.182 42.059 0.025 0.000 0.910 338 L HN 0.330 nan 8.230 nan 0.000 0.440 339 Q N -1.342 118.482 119.800 0.040 0.000 2.033 339 Q HA -0.128 4.212 4.340 -0.000 0.000 0.196 339 Q C 2.174 178.263 176.000 0.147 0.000 0.970 339 Q CA 0.653 56.525 55.803 0.116 0.000 0.828 339 Q CB 0.069 28.828 28.738 0.035 0.000 0.895 339 Q HN 0.302 nan 8.270 nan 0.000 0.440 340 L N 1.585 122.711 121.223 -0.160 0.000 2.021 340 L HA -0.268 4.071 4.340 -0.000 0.000 0.215 340 L C 2.346 179.242 176.870 0.042 0.000 1.074 340 L CA 1.851 56.566 54.840 -0.209 0.000 0.760 340 L CB -1.305 40.669 42.059 -0.141 0.000 0.889 340 L HN 0.354 nan 8.230 nan 0.000 0.433 341 Q N -0.807 119.015 119.800 0.037 0.000 2.112 341 Q HA -0.287 4.053 4.340 -0.000 0.000 0.206 341 Q C 2.205 178.245 176.000 0.067 0.000 0.987 341 Q CA 1.895 57.715 55.803 0.029 0.000 0.858 341 Q CB -0.198 28.552 28.738 0.019 0.000 0.905 341 Q HN 0.437 nan 8.270 nan 0.000 0.420 342 K N -0.268 120.211 120.400 0.132 0.000 2.288 342 K HA -0.138 4.182 4.320 -0.000 0.000 0.201 342 K C 1.169 177.848 176.600 0.133 0.000 1.048 342 K CA 0.618 56.969 56.287 0.107 0.000 0.956 342 K CB 0.071 32.624 32.500 0.088 0.000 0.746 342 K HN 0.216 nan 8.250 nan 0.000 0.461 343 W N 0.722 121.980 121.300 -0.069 0.000 2.825 343 W HA -0.024 4.636 4.660 -0.000 0.000 0.243 343 W C 1.553 178.028 176.519 -0.073 0.000 1.293 343 W CA 0.690 58.003 57.345 -0.053 0.000 1.403 343 W CB 0.076 29.528 29.460 -0.012 0.000 1.134 343 W HN 0.106 nan 8.180 nan 0.000 0.666 344 S N -3.026 112.718 115.700 0.074 0.000 2.568 344 S HA 0.137 4.607 4.470 -0.000 0.000 0.232 344 S C 1.243 175.825 174.600 -0.030 0.000 0.975 344 S CA 0.160 58.338 58.200 -0.036 0.000 0.949 344 S CB -0.225 62.879 63.200 -0.161 0.000 0.829 344 S HN -0.038 nan 8.310 nan 0.000 0.479 345 T N 2.371 116.916 114.554 -0.015 0.000 2.558 345 T HA 0.181 4.531 4.350 -0.000 0.000 0.247 345 T C 1.697 176.381 174.700 -0.027 0.000 1.146 345 T CA 1.565 63.650 62.100 -0.025 0.000 1.289 345 T CB -0.819 68.030 68.868 -0.031 0.000 0.905 345 T HN 0.583 nan 8.240 nan 0.000 0.397 346 G N -0.372 108.407 108.800 -0.035 0.000 2.989 346 G HA2 0.420 4.380 3.960 -0.000 0.000 0.221 346 G HA3 0.420 4.380 3.960 -0.000 0.000 0.221 346 G C 0.492 175.369 174.900 -0.039 0.000 1.050 346 G CA 0.189 45.269 45.100 -0.032 0.000 0.913 346 G HN 0.694 nan 8.290 nan 0.000 0.587 347 G N 0.309 109.072 108.800 -0.062 0.000 2.356 347 G HA2 0.403 4.363 3.960 -0.000 0.000 0.312 347 G HA3 0.403 4.363 3.960 -0.000 0.000 0.312 347 G C 0.370 175.241 174.900 -0.049 0.000 1.096 347 G CA 0.093 45.143 45.100 -0.083 0.000 0.950 347 G HN 0.704 nan 8.290 nan 0.000 0.428 348 C N 1.677 120.973 119.300 -0.007 0.000 2.741 348 C HA 0.527 4.987 4.460 -0.000 0.000 0.267 348 C C 1.164 176.186 174.990 0.054 0.000 1.549 348 C CA -0.517 58.535 59.018 0.056 0.000 1.772 348 C CB -0.383 27.401 27.740 0.073 0.000 2.962 348 C HN 0.462 nan 8.230 nan 0.000 0.514 349 S N 1.400 117.105 115.700 0.008 0.000 2.815 349 S HA 0.462 4.931 4.470 -0.000 0.000 0.254 349 S C 0.041 174.666 174.600 0.041 0.000 1.197 349 S CA 0.044 58.252 58.200 0.014 0.000 1.216 349 S CB -0.811 62.378 63.200 -0.018 0.000 0.871 349 S HN 0.625 nan 8.310 nan 0.000 0.473 350 I N 0.863 121.497 120.570 0.107 0.000 2.865 350 I HA 0.383 4.553 4.170 -0.000 0.000 0.302 350 I C 0.015 176.240 176.117 0.180 0.000 1.140 350 I CA -1.292 60.120 61.300 0.187 0.000 1.021 350 I CB 1.961 40.188 38.000 0.378 0.000 1.233 350 I HN 0.063 nan 8.210 nan 0.000 0.427 351 D N 3.940 124.429 120.400 0.148 0.000 2.443 351 D HA 0.051 4.691 4.640 -0.000 0.000 0.239 351 D C 0.928 177.243 176.300 0.024 0.000 1.136 351 D CA 0.167 54.215 54.000 0.079 0.000 0.879 351 D CB 1.363 42.200 40.800 0.060 0.000 1.195 351 D HN 0.387 nan 8.370 nan 0.000 0.443 352 K N 1.724 122.108 120.400 -0.027 0.000 2.360 352 K HA -0.106 4.214 4.320 -0.000 0.000 0.201 352 K C 1.217 177.664 176.600 -0.255 0.000 1.046 352 K CA 0.696 56.901 56.287 -0.138 0.000 0.945 352 K CB 0.228 32.667 32.500 -0.102 0.000 0.750 352 K HN 0.331 nan 8.250 nan 0.000 0.464 353 N N 0.873 119.466 118.700 -0.178 0.000 2.290 353 N HA -0.006 4.734 4.740 -0.000 0.000 0.179 353 N C 1.823 177.193 175.510 -0.234 0.000 1.016 353 N CA 0.827 53.720 53.050 -0.261 0.000 0.871 353 N CB 0.028 38.455 38.487 -0.099 0.000 0.987 353 N HN 0.154 nan 8.380 nan 0.000 0.431 354 I N 1.516 122.037 120.570 -0.082 0.000 2.315 354 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 354 I C 2.370 178.452 176.117 -0.058 0.000 1.117 354 I CA 0.948 62.248 61.300 0.000 0.000 1.404 354 I CB -0.268 37.856 38.000 0.206 0.000 1.071 354 I HN 0.140 nan 8.210 nan 0.000 0.419 355 S N 1.047 116.636 115.700 -0.184 0.000 2.345 355 S HA -0.181 4.289 4.470 -0.000 0.000 0.220 355 S C 1.942 176.300 174.600 -0.404 0.000 1.031 355 S CA 0.761 58.747 58.200 -0.356 0.000 0.996 355 S CB -0.555 62.346 63.200 -0.498 0.000 0.882 355 S HN 0.325 nan 8.310 nan 0.000 0.445 356 K N 1.074 121.146 120.400 -0.548 0.000 2.144 356 K HA -0.106 4.214 4.320 -0.000 0.000 0.209 356 K C 2.057 178.367 176.600 -0.484 0.000 1.047 356 K CA 1.923 57.809 56.287 -0.668 0.000 0.927 356 K CB -0.585 31.172 32.500 -1.240 0.000 0.716 356 K HN 0.491 nan 8.250 nan 0.000 0.454 357 I N -0.763 119.571 120.570 -0.393 0.000 2.286 357 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 357 I C 1.909 177.857 176.117 -0.281 0.000 1.104 357 I CA 1.167 62.312 61.300 -0.258 0.000 1.397 357 I CB -0.318 37.536 38.000 -0.242 0.000 1.072 357 I HN 0.122 nan 8.210 nan 0.000 0.417 358 Y N 1.369 121.502 120.300 -0.278 0.000 2.224 358 Y HA -0.282 4.268 4.550 -0.000 0.000 0.289 358 Y C 2.610 178.374 175.900 -0.228 0.000 1.146 358 Y CA 1.570 59.516 58.100 -0.256 0.000 1.182 358 Y CB -0.199 38.040 38.460 -0.368 0.000 0.983 358 Y HN 0.034 nan 8.280 nan 0.000 0.524 359 K N 1.092 121.430 120.400 -0.103 0.000 2.103 359 K HA -0.166 4.154 4.320 -0.000 0.000 0.207 359 K C 1.542 178.068 176.600 -0.123 0.000 1.048 359 K CA 1.532 57.748 56.287 -0.118 0.000 0.930 359 K CB -0.766 31.626 32.500 -0.180 0.000 0.716 359 K HN 0.376 nan 8.250 nan 0.000 0.444 360 L N 0.243 121.367 121.223 -0.165 0.000 2.353 360 L HA -0.094 4.246 4.340 -0.000 0.000 0.220 360 L C 1.960 178.724 176.870 -0.176 0.000 1.133 360 L CA 0.665 55.379 54.840 -0.211 0.000 0.798 360 L CB -0.301 41.535 42.059 -0.373 0.000 0.922 360 L HN 0.167 nan 8.230 nan 0.000 0.445 361 L N -1.133 120.015 121.223 -0.125 0.000 2.354 361 L HA -0.031 4.309 4.340 -0.000 0.000 0.212 361 L C 2.759 179.614 176.870 -0.025 0.000 1.091 361 L CA 0.677 55.476 54.840 -0.068 0.000 0.828 361 L CB -0.303 41.729 42.059 -0.045 0.000 0.973 361 L HN 0.292 nan 8.230 nan 0.000 0.461 362 S N -0.117 115.569 115.700 -0.023 0.000 2.407 362 S HA -0.135 4.335 4.470 -0.000 0.000 0.235 362 S C 1.602 176.201 174.600 -0.003 0.000 1.036 362 S CA 1.477 59.672 58.200 -0.008 0.000 1.013 362 S CB -0.238 62.955 63.200 -0.011 0.000 0.820 362 S HN 0.595 nan 8.310 nan 0.000 0.476 363 G N 0.705 109.503 108.800 -0.004 0.000 2.981 363 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.198 363 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.198 363 G C 0.107 175.016 174.900 0.015 0.000 1.806 363 G CA -0.013 45.095 45.100 0.012 0.000 1.374 363 G HN 1.565 nan 8.290 nan 0.000 0.555 364 S N 2.247 117.955 115.700 0.012 0.000 2.498 364 S HA 0.689 5.159 4.470 -0.000 0.000 0.324 364 S C -1.273 173.307 174.600 -0.033 0.000 1.071 364 S CA -0.504 57.705 58.200 0.016 0.000 1.113 364 S CB 2.882 66.117 63.200 0.058 0.000 0.976 364 S HN 0.497 nan 8.310 nan 0.000 0.462 365 P HA 0.156 nan 4.420 nan 0.000 0.240 365 P C 0.427 177.538 177.300 -0.315 0.000 1.190 365 P CA 0.286 63.202 63.100 -0.307 0.000 0.781 365 P CB -0.023 31.364 31.700 -0.522 0.000 0.931 366 F N 1.246 121.260 119.950 0.106 0.000 2.553 366 F HA 0.133 4.660 4.527 -0.000 0.000 0.282 366 F C 2.081 177.943 175.800 0.105 0.000 1.089 366 F CA -0.040 58.035 58.000 0.126 0.000 1.411 366 F CB -0.027 39.045 39.000 0.120 0.000 1.125 366 F HN -0.105 nan 8.300 nan 0.000 0.610 367 E N 1.009 121.353 120.200 0.240 0.000 2.368 367 E HA 0.230 4.580 4.350 -0.000 0.000 0.188 367 E C 0.957 177.628 176.600 0.118 0.000 1.061 367 E CA -0.169 56.328 56.400 0.160 0.000 0.933 367 E CB -0.076 29.697 29.700 0.123 0.000 1.091 367 E HN 0.203 nan 8.360 nan 0.000 0.458 368 G N 0.893 109.764 108.800 0.118 0.000 2.634 368 G HA2 0.161 4.121 3.960 -0.000 0.000 0.255 368 G HA3 0.161 4.121 3.960 -0.000 0.000 0.255 368 G C 0.638 175.600 174.900 0.104 0.000 1.205 368 G CA -0.704 44.450 45.100 0.090 0.000 0.884 368 G HN 0.249 nan 8.290 nan 0.000 0.549 369 L N -0.814 120.461 121.223 0.086 0.000 2.610 369 L HA 0.270 4.610 4.340 -0.000 0.000 0.232 369 L C 1.004 177.935 176.870 0.102 0.000 1.149 369 L CA 0.695 55.571 54.840 0.061 0.000 0.872 369 L CB -0.154 41.917 42.059 0.021 0.000 0.992 369 L HN 0.501 nan 8.230 nan 0.000 0.447 370 F N -0.349 119.596 119.950 -0.009 0.000 2.548 370 F HA 0.165 4.692 4.527 -0.000 0.000 0.379 370 F C 1.017 176.815 175.800 -0.003 0.000 1.380 370 F CA -0.721 57.270 58.000 -0.016 0.000 1.095 370 F CB 0.694 39.658 39.000 -0.060 0.000 1.270 370 F HN -0.099 nan 8.300 nan 0.000 0.509 371 S N 0.961 116.806 115.700 0.241 0.000 2.549 371 S HA -0.154 4.316 4.470 -0.000 0.000 0.299 371 S C 0.780 175.470 174.600 0.151 0.000 1.280 371 S CA 0.498 58.812 58.200 0.189 0.000 1.029 371 S CB 0.461 63.793 63.200 0.220 0.000 0.729 371 S HN 0.567 nan 8.310 nan 0.000 0.466 372 L N 3.148 124.511 121.223 0.234 0.000 2.808 372 L HA 0.233 4.573 4.340 -0.000 0.000 0.246 372 L C 1.871 179.000 176.870 0.433 0.000 1.153 372 L CA -0.077 54.916 54.840 0.254 0.000 0.956 372 L CB -0.107 42.047 42.059 0.157 0.000 1.270 372 L HN 0.672 nan 8.230 nan 0.000 0.528 373 K N 0.880 121.531 120.400 0.419 0.000 2.360 373 K HA -0.209 4.111 4.320 -0.000 0.000 0.201 373 K C 1.623 178.250 176.600 0.045 0.000 1.046 373 K CA 1.517 57.931 56.287 0.213 0.000 0.940 373 K CB 0.004 32.618 32.500 0.191 0.000 0.748 373 K HN 0.526 nan 8.250 nan 0.000 0.465 374 E N 1.029 121.285 120.200 0.094 0.000 2.347 374 E HA -0.135 4.215 4.350 -0.000 0.000 0.196 374 E C 1.661 178.301 176.600 0.067 0.000 1.008 374 E CA 0.550 56.986 56.400 0.061 0.000 0.852 374 E CB -0.319 29.425 29.700 0.073 0.000 0.783 374 E HN 0.273 nan 8.360 nan 0.000 0.505 375 L N 1.089 122.357 121.223 0.074 0.000 2.191 375 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 375 L C 2.442 179.415 176.870 0.171 0.000 1.103 375 L CA 1.095 55.989 54.840 0.090 0.000 0.769 375 L CB -0.522 41.459 42.059 -0.129 0.000 0.908 375 L HN 0.200 nan 8.230 nan 0.000 0.438 376 E N 0.442 120.641 120.200 -0.002 0.000 2.169 376 E HA -0.295 4.055 4.350 -0.000 0.000 0.202 376 E C 2.231 178.854 176.600 0.039 0.000 1.016 376 E CA 1.927 58.284 56.400 -0.072 0.000 0.817 376 E CB 0.015 29.551 29.700 -0.273 0.000 0.736 376 E HN 0.622 nan 8.360 nan 0.000 0.462 377 S N 0.133 115.873 115.700 0.067 0.000 2.383 377 S HA -0.190 4.280 4.470 -0.000 0.000 0.229 377 S C 1.569 176.213 174.600 0.073 0.000 1.030 377 S CA 1.403 59.640 58.200 0.062 0.000 1.002 377 S CB -0.116 63.119 63.200 0.059 0.000 0.829 377 S HN 0.316 nan 8.310 nan 0.000 0.467 378 E N -0.712 119.570 120.200 0.136 0.000 2.485 378 E HA 0.302 4.652 4.350 -0.000 0.000 0.213 378 E C -0.752 175.773 176.600 -0.125 0.000 0.923 378 E CA -0.294 56.093 56.400 -0.021 0.000 1.054 378 E CB 0.366 29.980 29.700 -0.143 0.000 1.077 378 E HN 0.423 nan 8.360 nan 0.000 0.509 379 F N 1.358 121.312 119.950 0.007 0.000 2.385 379 F HA 0.256 4.783 4.527 -0.000 0.000 0.336 379 F C 0.905 176.693 175.800 -0.019 0.000 1.100 379 F CA -0.869 57.126 58.000 -0.008 0.000 1.116 379 F CB 1.376 40.385 39.000 0.014 0.000 1.166 379 F HN -0.256 nan 8.300 nan 0.000 0.511 380 S N 4.135 119.891 115.700 0.093 0.000 2.560 380 S HA -0.057 4.413 4.470 -0.000 0.000 0.284 380 S C 1.353 175.946 174.600 -0.012 0.000 1.327 380 S CA -0.600 57.603 58.200 0.006 0.000 1.055 380 S CB 0.245 63.356 63.200 -0.148 0.000 0.868 380 S HN 0.784 nan 8.310 nan 0.000 0.506 381 W N 5.260 126.588 121.300 0.046 0.000 2.341 381 W HA -0.160 4.500 4.660 -0.000 0.000 0.283 381 W C 1.019 177.615 176.519 0.129 0.000 1.215 381 W CA 0.651 58.053 57.345 0.095 0.000 1.211 381 W CB -0.859 28.632 29.460 0.051 0.000 1.131 381 W HN 0.630 nan 8.180 nan 0.000 0.552 382 L N 1.352 121.597 121.223 -1.630 0.000 2.552 382 L HA 0.024 4.363 4.340 -0.000 0.000 0.227 382 L C 2.398 178.843 176.870 -0.708 0.000 1.146 382 L CA 1.461 55.279 54.840 -1.704 0.000 0.858 382 L CB -0.940 40.137 42.059 -1.637 0.000 0.969 382 L HN 0.199 nan 8.230 nan 0.000 0.451 383 C N -1.367 117.709 119.300 -0.374 0.000 2.519 383 C HA 0.051 4.511 4.460 -0.000 0.000 0.281 383 C C 2.582 177.540 174.990 -0.053 0.000 1.331 383 C CA 0.230 59.155 59.018 -0.154 0.000 1.725 383 C CB -0.778 26.981 27.740 0.033 0.000 2.079 383 C HN 0.590 nan 8.230 nan 0.000 0.496 384 L N 0.861 122.138 121.223 0.090 0.000 2.012 384 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 384 L C 2.516 179.510 176.870 0.207 0.000 1.073 384 L CA 1.397 56.453 54.840 0.359 0.000 0.748 384 L CB -0.914 41.522 42.059 0.629 0.000 0.891 384 L HN 0.377 nan 8.230 nan 0.000 0.431 385 L N 0.575 121.623 121.223 -0.292 0.000 2.043 385 L HA -0.274 4.065 4.340 -0.000 0.000 0.212 385 L C 2.109 178.759 176.870 -0.365 0.000 1.075 385 L CA 2.138 56.414 54.840 -0.938 0.000 0.752 385 L CB -0.926 40.651 42.059 -0.803 0.000 0.891 385 L HN 0.279 nan 8.230 nan 0.000 0.432 386 N N -1.054 117.496 118.700 -0.251 0.000 2.272 386 N HA -0.205 4.535 4.740 -0.000 0.000 0.185 386 N C 1.741 177.149 175.510 -0.170 0.000 1.014 386 N CA 1.502 54.440 53.050 -0.186 0.000 0.870 386 N CB -0.211 38.170 38.487 -0.176 0.000 0.975 386 N HN 0.510 nan 8.380 nan 0.000 0.433 387 L N -1.014 120.171 121.223 -0.063 0.000 2.095 387 L HA -0.065 4.275 4.340 -0.000 0.000 0.204 387 L C 1.878 178.749 176.870 0.003 0.000 1.080 387 L CA 1.153 55.985 54.840 -0.014 0.000 0.759 387 L CB -0.707 41.463 42.059 0.185 0.000 0.914 387 L HN 0.227 nan 8.230 nan 0.000 0.439 388 T N 0.329 114.967 114.554 0.141 0.000 2.962 388 T HA -0.090 4.260 4.350 -0.000 0.000 0.270 388 T C 1.897 176.628 174.700 0.051 0.000 1.088 388 T CA 1.005 63.210 62.100 0.176 0.000 1.127 388 T CB -0.068 68.987 68.868 0.310 0.000 0.883 388 T HN 0.175 nan 8.240 nan 0.000 0.493 389 L N -0.362 120.835 121.223 -0.043 0.000 2.307 389 L HA 0.085 4.425 4.340 -0.000 0.000 0.211 389 L C 2.362 179.230 176.870 -0.004 0.000 1.099 389 L CA 0.483 55.291 54.840 -0.052 0.000 0.816 389 L CB -0.144 41.828 42.059 -0.145 0.000 0.952 389 L HN 0.342 nan 8.230 nan 0.000 0.455 390 C N -1.762 117.413 119.300 -0.208 0.000 2.541 390 C HA 0.008 4.468 4.460 -0.000 0.000 0.284 390 C C 2.255 176.995 174.990 -0.415 0.000 1.341 390 C CA 0.097 58.867 59.018 -0.413 0.000 1.732 390 C CB -0.497 26.686 27.740 -0.929 0.000 2.126 390 C HN 0.468 nan 8.230 nan 0.000 0.505 391 Y N 0.097 120.408 120.300 0.018 0.000 2.462 391 Y HA 0.255 4.804 4.550 -0.000 0.000 0.253 391 Y C 2.453 178.346 175.900 -0.013 0.000 1.095 391 Y CA 0.362 58.455 58.100 -0.012 0.000 1.283 391 Y CB -0.355 38.079 38.460 -0.042 0.000 1.138 391 Y HN 0.279 nan 8.280 nan 0.000 0.522 392 G N 0.297 109.152 108.800 0.092 0.000 2.882 392 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.206 392 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.206 392 G C 0.554 175.495 174.900 0.068 0.000 1.155 392 G CA -0.092 45.059 45.100 0.086 0.000 0.800 392 G HN 0.145 nan 8.290 nan 0.000 0.524 393 Q N 0.287 120.112 119.800 0.041 0.000 2.244 393 Q HA 0.142 4.482 4.340 -0.000 0.000 0.276 393 Q C 1.055 177.029 176.000 -0.044 0.000 1.122 393 Q CA 0.217 56.005 55.803 -0.025 0.000 0.920 393 Q CB 0.765 29.479 28.738 -0.041 0.000 1.186 393 Q HN 0.407 nan 8.270 nan 0.000 0.393 394 I N 0.794 121.320 120.570 -0.073 0.000 2.368 394 I HA -0.043 4.127 4.170 -0.000 0.000 0.238 394 I C 0.318 176.386 176.117 -0.081 0.000 1.076 394 I CA 0.733 62.022 61.300 -0.019 0.000 1.397 394 I CB 0.373 38.439 38.000 0.109 0.000 1.141 394 I HN 0.377 nan 8.210 nan 0.000 0.430 395 D N 0.394 120.643 120.400 -0.252 0.000 2.896 395 D HA 0.181 4.820 4.640 -0.000 0.000 0.241 395 D C -0.803 175.124 176.300 -0.622 0.000 1.188 395 D CA -0.441 53.429 54.000 -0.217 0.000 0.879 395 D CB 1.775 42.639 40.800 0.106 0.000 1.553 395 D HN -0.061 nan 8.370 nan 0.000 0.515 396 E N 2.335 122.346 120.200 -0.315 0.000 2.406 396 E HA 0.096 4.446 4.350 -0.000 0.000 0.247 396 E C -0.531 175.952 176.600 -0.194 0.000 1.160 396 E CA 0.628 56.859 56.400 -0.280 0.000 0.950 396 E CB -0.209 29.422 29.700 -0.115 0.000 0.993 396 E HN 0.351 nan 8.360 nan 0.000 0.472 397 Y N -1.959 118.353 120.300 0.020 0.000 2.725 397 Y HA 0.272 4.822 4.550 -0.000 0.000 0.333 397 Y C -0.123 175.786 175.900 0.016 0.000 1.242 397 Y CA -1.785 56.322 58.100 0.012 0.000 1.059 397 Y CB -0.191 38.273 38.460 0.006 0.000 1.306 397 Y HN 0.167 nan 8.280 nan 0.000 0.454 398 S N 0.954 116.851 115.700 0.328 0.000 2.953 398 S HA -0.117 4.353 4.470 -0.000 0.000 0.348 398 S C 0.877 175.597 174.600 0.200 0.000 1.215 398 S CA 0.196 58.504 58.200 0.179 0.000 1.019 398 S CB 0.246 63.479 63.200 0.055 0.000 0.726 398 S HN 0.967 nan 8.310 nan 0.000 0.503 399 L N 2.800 124.098 121.223 0.125 0.000 2.046 399 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 399 L C 2.339 179.276 176.870 0.112 0.000 1.077 399 L CA 2.094 57.008 54.840 0.125 0.000 0.747 399 L CB -0.824 41.303 42.059 0.114 0.000 0.896 399 L HN 0.866 nan 8.230 nan 0.000 0.432 400 E N -0.069 120.110 120.200 -0.035 0.000 2.026 400 E HA -0.275 4.075 4.350 -0.000 0.000 0.206 400 E C 2.308 178.857 176.600 -0.086 0.000 1.028 400 E CA 2.249 58.474 56.400 -0.292 0.000 0.845 400 E CB -0.580 28.805 29.700 -0.525 0.000 0.772 400 E HN 0.692 nan 8.360 nan 0.000 0.462 401 S N 0.459 116.124 115.700 -0.058 0.000 2.440 401 S HA -0.159 4.311 4.470 -0.000 0.000 0.238 401 S C 1.939 176.581 174.600 0.069 0.000 1.010 401 S CA 0.999 59.183 58.200 -0.028 0.000 0.972 401 S CB -0.330 62.807 63.200 -0.104 0.000 0.774 401 S HN 0.206 nan 8.310 nan 0.000 0.501 402 L N 2.016 123.333 121.223 0.157 0.000 2.017 402 L HA 0.032 4.372 4.340 -0.000 0.000 0.208 402 L C 2.438 179.414 176.870 0.178 0.000 1.073 402 L CA 1.481 56.453 54.840 0.220 0.000 0.745 402 L CB -0.883 41.302 42.059 0.210 0.000 0.894 402 L HN 0.217 nan 8.230 nan 0.000 0.432 403 V N -0.451 119.570 119.914 0.179 0.000 2.343 403 V HA -0.280 3.840 4.120 -0.000 0.000 0.247 403 V C 2.677 178.903 176.094 0.220 0.000 1.051 403 V CA 1.679 64.120 62.300 0.235 0.000 1.036 403 V CB -0.770 31.244 31.823 0.318 0.000 0.654 403 V HN 0.529 nan 8.190 nan 0.000 0.451 404 Q N 0.344 120.234 119.800 0.150 0.000 2.297 404 Q HA -0.177 4.163 4.340 -0.000 0.000 0.208 404 Q C 2.582 178.631 176.000 0.080 0.000 0.981 404 Q CA 1.979 57.843 55.803 0.101 0.000 0.876 404 Q CB -0.421 28.342 28.738 0.041 0.000 0.921 404 Q HN 0.861 nan 8.270 nan 0.000 0.446 405 S N -1.410 114.349 115.700 0.099 0.000 2.371 405 S HA -0.177 4.293 4.470 -0.000 0.000 0.224 405 S C 1.860 176.477 174.600 0.029 0.000 1.029 405 S CA 1.278 59.522 58.200 0.072 0.000 0.978 405 S CB -0.555 62.716 63.200 0.118 0.000 0.833 405 S HN 0.515 nan 8.310 nan 0.000 0.466 406 H N 1.504 120.554 119.070 -0.032 0.000 2.353 406 H HA 0.071 4.627 4.556 -0.000 0.000 0.300 406 H C 1.686 176.870 175.328 -0.241 0.000 1.090 406 H CA 1.807 57.747 56.048 -0.179 0.000 1.327 406 H CB -0.462 29.264 29.762 -0.059 0.000 1.383 406 H HN 0.305 nan 8.280 nan 0.000 0.508 407 L N 0.537 121.758 121.223 -0.003 0.000 2.083 407 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 407 L C 2.081 178.898 176.870 -0.088 0.000 1.083 407 L CA 1.644 56.466 54.840 -0.031 0.000 0.752 407 L CB -0.579 41.514 42.059 0.056 0.000 0.899 407 L HN 0.372 nan 8.230 nan 0.000 0.433 408 D N 0.117 120.470 120.400 -0.078 0.000 2.182 408 D HA -0.179 4.460 4.640 -0.000 0.000 0.201 408 D C 1.959 178.213 176.300 -0.076 0.000 0.986 408 D CA 1.147 55.113 54.000 -0.056 0.000 0.847 408 D CB 0.048 40.828 40.800 -0.033 0.000 0.942 408 D HN 0.482 nan 8.370 nan 0.000 0.467 409 K N -0.487 119.793 120.400 -0.201 0.000 2.262 409 K HA 0.089 4.409 4.320 -0.000 0.000 0.200 409 K C 0.986 177.697 176.600 0.185 0.000 1.049 409 K CA 0.420 56.623 56.287 -0.140 0.000 0.979 409 K CB 0.513 32.781 32.500 -0.387 0.000 0.773 409 K HN 0.169 nan 8.250 nan 0.000 0.474 410 F N 0.356 120.155 119.950 -0.252 0.000 2.598 410 F HA 0.313 4.840 4.527 -0.000 0.000 0.327 410 F C 0.444 176.138 175.800 -0.177 0.000 1.057 410 F CA -1.554 56.312 58.000 -0.224 0.000 0.957 410 F CB 1.952 40.778 39.000 -0.291 0.000 1.278 410 F HN -0.208 nan 8.300 nan 0.000 0.484 411 S N 1.242 116.960 115.700 0.031 0.000 2.654 411 S HA 0.760 5.230 4.470 -0.000 0.000 0.283 411 S C -0.939 173.500 174.600 -0.268 0.000 1.180 411 S CA -0.538 57.581 58.200 -0.135 0.000 1.021 411 S CB 0.851 63.957 63.200 -0.156 0.000 1.018 411 S HN 0.458 nan 8.310 nan 0.000 0.532 412 L N 2.642 123.578 121.223 -0.478 0.000 2.370 412 L HA 0.492 4.832 4.340 -0.000 0.000 0.266 412 L C -2.364 174.071 176.870 -0.725 0.000 1.002 412 L CA -2.487 51.901 54.840 -0.754 0.000 0.818 412 L CB 1.562 43.091 42.059 -0.883 0.000 1.325 412 L HN 0.506 nan 8.230 nan 0.000 0.418 413 P HA -0.119 nan 4.420 nan 0.000 0.259 413 P C -0.051 177.049 177.300 -0.333 0.000 1.155 413 P CA 0.635 63.508 63.100 -0.378 0.000 0.759 413 P CB 0.185 31.752 31.700 -0.223 0.000 0.753 414 Y N 0.957 121.208 120.300 -0.081 0.000 2.274 414 Y HA -0.149 4.400 4.550 -0.000 0.000 0.290 414 Y C 1.484 177.368 175.900 -0.026 0.000 1.145 414 Y CA 1.179 59.248 58.100 -0.051 0.000 1.203 414 Y CB 0.011 38.453 38.460 -0.031 0.000 0.984 414 Y HN 0.335 nan 8.280 nan 0.000 0.533 415 D N -0.458 120.017 120.400 0.124 0.000 2.615 415 D HA 0.025 4.665 4.640 -0.000 0.000 0.236 415 D C -0.608 175.727 176.300 0.060 0.000 1.233 415 D CA 0.209 54.263 54.000 0.091 0.000 0.829 415 D CB 0.015 40.867 40.800 0.086 0.000 1.024 415 D HN 0.205 nan 8.370 nan 0.000 0.490 416 D N 1.661 122.078 120.400 0.027 0.000 2.329 416 D HA 0.116 4.756 4.640 -0.000 0.000 0.232 416 D C -1.337 174.991 176.300 0.047 0.000 1.088 416 D CA -2.060 51.960 54.000 0.033 0.000 0.835 416 D CB 2.674 43.473 40.800 -0.001 0.000 1.078 416 D HN -0.079 nan 8.370 nan 0.000 0.495 417 P HA -0.123 nan 4.420 nan 0.000 0.215 417 P C 1.808 179.161 177.300 0.088 0.000 1.157 417 P CA 0.927 64.055 63.100 0.046 0.000 0.859 417 P CB 0.137 31.830 31.700 -0.012 0.000 0.786 418 I N -2.149 118.510 120.570 0.147 0.000 2.423 418 I HA -0.089 4.081 4.170 -0.000 0.000 0.254 418 I C 2.449 178.788 176.117 0.370 0.000 1.151 418 I CA 1.766 63.234 61.300 0.280 0.000 1.421 418 I CB -1.834 36.401 38.000 0.393 0.000 1.079 418 I HN -0.106 nan 8.210 nan 0.000 0.431 419 G N 1.595 110.513 108.800 0.197 0.000 2.424 419 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.214 419 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.214 419 G C 1.661 176.640 174.900 0.131 0.000 1.202 419 G CA 0.946 46.063 45.100 0.028 0.000 0.793 419 G HN 0.253 nan 8.290 nan 0.000 0.534 420 V N 1.683 121.660 119.914 0.105 0.000 2.250 420 V HA -0.228 3.891 4.120 -0.000 0.000 0.250 420 V C 2.831 179.062 176.094 0.228 0.000 1.060 420 V CA 1.548 63.934 62.300 0.143 0.000 1.030 420 V CB -0.406 31.495 31.823 0.130 0.000 0.643 420 V HN 0.302 nan 8.190 nan 0.000 0.445 421 I N -0.970 119.746 120.570 0.243 0.000 2.300 421 I HA -0.288 3.882 4.170 -0.000 0.000 0.252 421 I C 2.305 178.599 176.117 0.294 0.000 1.119 421 I CA 2.077 63.528 61.300 0.251 0.000 1.384 421 I CB -1.088 37.013 38.000 0.168 0.000 1.062 421 I HN 0.273 nan 8.210 nan 0.000 0.426 422 F N 1.100 121.144 119.950 0.156 0.000 2.084 422 F HA -0.196 4.331 4.527 -0.000 0.000 0.296 422 F C 2.753 178.676 175.800 0.204 0.000 1.111 422 F CA 1.333 59.441 58.000 0.180 0.000 1.224 422 F CB -0.791 38.331 39.000 0.205 0.000 0.991 422 F HN 0.100 nan 8.300 nan 0.000 0.471 423 Q N 0.040 120.040 119.800 0.335 0.000 2.152 423 Q HA -0.222 4.118 4.340 -0.000 0.000 0.206 423 Q C 2.264 178.389 176.000 0.209 0.000 0.985 423 Q CA 1.653 57.587 55.803 0.219 0.000 0.863 423 Q CB -0.430 28.398 28.738 0.151 0.000 0.904 423 Q HN 0.443 nan 8.270 nan 0.000 0.422 424 L N -1.023 120.350 121.223 0.251 0.000 2.141 424 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 424 L C 2.214 179.290 176.870 0.343 0.000 1.094 424 L CA 1.064 56.062 54.840 0.265 0.000 0.763 424 L CB -0.347 41.876 42.059 0.272 0.000 0.908 424 L HN 0.321 nan 8.230 nan 0.000 0.437 425 Y N 0.342 120.759 120.300 0.195 0.000 2.365 425 Y HA -0.020 4.530 4.550 -0.000 0.000 0.293 425 Y C 2.431 178.316 175.900 -0.026 0.000 1.119 425 Y CA 0.790 58.901 58.100 0.017 0.000 1.203 425 Y CB -0.055 38.207 38.460 -0.332 0.000 1.026 425 Y HN 0.048 nan 8.280 nan 0.000 0.549 426 A N 1.262 124.152 122.820 0.117 0.000 1.858 426 A HA 0.066 4.386 4.320 -0.000 0.000 0.216 426 A C 1.699 179.255 177.584 -0.046 0.000 1.190 426 A CA 1.083 53.139 52.037 0.032 0.000 0.617 426 A CB -1.454 17.634 19.000 0.147 0.000 0.827 426 A HN 0.485 nan 8.150 nan 0.000 0.443 427 A N 0.829 123.652 122.820 0.005 0.000 2.915 427 A HA 0.312 4.632 4.320 -0.000 0.000 0.292 427 A C 1.121 178.674 177.584 -0.053 0.000 1.632 427 A CA 0.206 52.232 52.037 -0.020 0.000 1.337 427 A CB -0.693 18.315 19.000 0.013 0.000 1.111 427 A HN 0.574 nan 8.150 nan 0.000 0.569 428 N N 2.206 120.839 118.700 -0.112 0.000 2.084 428 N HA -0.203 4.537 4.740 -0.000 0.000 0.190 428 N C 1.075 176.525 175.510 -0.100 0.000 1.030 428 N CA 2.315 55.286 53.050 -0.131 0.000 0.849 428 N CB -0.107 38.259 38.487 -0.203 0.000 1.012 428 N HN 0.709 nan 8.380 nan 0.000 0.423 429 E N -0.731 119.414 120.200 -0.092 0.000 2.299 429 E HA 0.095 4.445 4.350 -0.000 0.000 0.193 429 E C 0.445 176.987 176.600 -0.097 0.000 0.998 429 E CA 0.451 56.797 56.400 -0.090 0.000 0.851 429 E CB 0.020 29.674 29.700 -0.076 0.000 0.795 429 E HN 0.400 nan 8.360 nan 0.000 0.492 430 N N 0.312 118.962 118.700 -0.083 0.000 2.251 430 N HA 0.067 4.807 4.740 -0.000 0.000 0.217 430 N C 0.647 176.106 175.510 -0.085 0.000 1.124 430 N CA 0.192 53.196 53.050 -0.077 0.000 0.843 430 N CB 0.598 39.058 38.487 -0.045 0.000 1.024 430 N HN 0.017 nan 8.380 nan 0.000 0.501 431 T N 1.557 116.038 114.554 -0.122 0.000 2.531 431 T HA -0.280 4.070 4.350 -0.000 0.000 0.261 431 T C 1.720 176.322 174.700 -0.162 0.000 1.141 431 T CA 1.716 63.735 62.100 -0.134 0.000 1.176 431 T CB -0.228 68.496 68.868 -0.240 0.000 0.863 431 T HN 0.419 nan 8.240 nan 0.000 0.424 432 E N 0.532 120.487 120.200 -0.408 0.000 2.130 432 E HA -0.220 4.130 4.350 -0.000 0.000 0.196 432 E C 2.244 178.836 176.600 -0.014 0.000 0.998 432 E CA 1.377 57.621 56.400 -0.259 0.000 0.806 432 E CB -0.089 29.394 29.700 -0.362 0.000 0.738 432 E HN 0.410 nan 8.360 nan 0.000 0.459 433 K N -0.150 120.219 120.400 -0.052 0.000 2.103 433 K HA -0.144 4.176 4.320 -0.000 0.000 0.204 433 K C 2.143 178.748 176.600 0.008 0.000 1.052 433 K CA 0.864 57.139 56.287 -0.021 0.000 0.945 433 K CB -0.023 32.456 32.500 -0.035 0.000 0.722 433 K HN 0.122 nan 8.250 nan 0.000 0.443 434 L N 0.333 121.576 121.223 0.033 0.000 2.049 434 L HA -0.109 4.231 4.340 -0.000 0.000 0.203 434 L C 2.110 179.055 176.870 0.124 0.000 1.074 434 L CA 1.526 56.407 54.840 0.068 0.000 0.749 434 L CB -0.933 41.172 42.059 0.078 0.000 0.907 434 L HN 0.219 nan 8.230 nan 0.000 0.439 435 Y N 0.988 121.318 120.300 0.050 0.000 2.040 435 Y HA -0.346 4.203 4.550 -0.000 0.000 0.275 435 Y C 2.450 178.403 175.900 0.089 0.000 1.171 435 Y CA 2.368 60.530 58.100 0.104 0.000 1.123 435 Y CB -0.588 37.988 38.460 0.193 0.000 0.963 435 Y HN 0.185 nan 8.280 nan 0.000 0.493 436 K N -0.030 120.237 120.400 -0.223 0.000 2.044 436 K HA -0.276 4.044 4.320 -0.000 0.000 0.210 436 K C 2.229 178.731 176.600 -0.163 0.000 1.049 436 K CA 1.986 58.090 56.287 -0.305 0.000 0.927 436 K CB -0.353 32.071 32.500 -0.126 0.000 0.713 436 K HN 0.513 nan 8.250 nan 0.000 0.443 437 E N 0.484 120.646 120.200 -0.064 0.000 2.153 437 E HA -0.156 4.194 4.350 -0.000 0.000 0.194 437 E C 1.756 178.350 176.600 -0.010 0.000 0.988 437 E CA 0.846 57.230 56.400 -0.025 0.000 0.811 437 E CB 0.268 29.969 29.700 0.002 0.000 0.746 437 E HN 0.050 nan 8.360 nan 0.000 0.466 438 V N 0.286 120.204 119.914 0.006 0.000 2.649 438 V HA -0.099 4.021 4.120 -0.000 0.000 0.248 438 V C 2.220 178.324 176.094 0.017 0.000 1.054 438 V CA 1.254 63.583 62.300 0.048 0.000 1.073 438 V CB -0.334 31.563 31.823 0.123 0.000 0.699 438 V HN 0.111 nan 8.190 nan 0.000 0.463 439 R N 0.585 121.038 120.500 -0.079 0.000 2.303 439 R HA -0.136 4.204 4.340 -0.000 0.000 0.225 439 R C 2.054 178.329 176.300 -0.042 0.000 1.114 439 R CA 1.173 57.213 56.100 -0.099 0.000 1.007 439 R CB -0.400 29.714 30.300 -0.310 0.000 0.861 439 R HN 0.614 nan 8.270 nan 0.000 0.471 440 Q N -0.776 119.006 119.800 -0.030 0.000 2.451 440 Q HA 0.032 4.372 4.340 -0.000 0.000 0.206 440 Q C 0.523 176.527 176.000 0.007 0.000 0.947 440 Q CA 0.752 56.548 55.803 -0.013 0.000 0.937 440 Q CB 0.446 29.175 28.738 -0.016 0.000 1.025 440 Q HN 0.268 nan 8.270 nan 0.000 0.511 441 R N -0.856 119.658 120.500 0.023 0.000 2.616 441 R HA 0.159 4.499 4.340 -0.000 0.000 0.427 441 R C 0.242 176.576 176.300 0.056 0.000 1.030 441 R CA -0.037 56.083 56.100 0.033 0.000 1.133 441 R CB 0.660 30.980 30.300 0.035 0.000 1.444 441 R HN -0.118 nan 8.270 nan 0.000 0.578 442 T N 1.816 116.405 114.554 0.059 0.000 3.722 442 T HA 0.032 4.382 4.350 -0.000 0.000 0.247 442 T C 0.954 175.708 174.700 0.090 0.000 1.004 442 T CA 0.407 62.558 62.100 0.085 0.000 0.947 442 T CB -0.488 68.436 68.868 0.093 0.000 1.114 442 T HN 0.174 nan 8.240 nan 0.000 0.633 443 N N 0.894 119.640 118.700 0.077 0.000 2.449 443 N HA 0.125 4.865 4.740 -0.000 0.000 0.191 443 N C 1.573 177.133 175.510 0.084 0.000 1.161 443 N CA 0.098 53.195 53.050 0.078 0.000 0.863 443 N CB 0.311 38.837 38.487 0.065 0.000 0.980 443 N HN 0.493 nan 8.380 nan 0.000 0.458 444 A N -0.256 122.617 122.820 0.088 0.000 2.063 444 A HA 0.221 4.541 4.320 -0.000 0.000 0.211 444 A C 0.883 178.517 177.584 0.083 0.000 1.177 444 A CA 0.006 52.091 52.037 0.081 0.000 0.759 444 A CB 0.222 19.267 19.000 0.074 0.000 0.857 444 A HN 0.147 nan 8.150 nan 0.000 0.468 445 L N 1.913 123.206 121.223 0.117 0.000 2.268 445 L HA 0.190 4.530 4.340 -0.000 0.000 0.289 445 L C -0.510 176.474 176.870 0.190 0.000 1.064 445 L CA -0.678 54.255 54.840 0.156 0.000 0.824 445 L CB 0.764 42.962 42.059 0.232 0.000 1.202 445 L HN 0.230 nan 8.230 nan 0.000 0.433 446 D N 2.578 123.092 120.400 0.190 0.000 2.520 446 D HA -0.061 4.579 4.640 -0.000 0.000 0.243 446 D C 1.182 177.623 176.300 0.234 0.000 1.160 446 D CA 0.090 54.218 54.000 0.214 0.000 0.877 446 D CB 1.289 42.237 40.800 0.247 0.000 1.150 446 D HN 0.241 nan 8.370 nan 0.000 0.494 447 V N 3.743 123.771 119.914 0.189 0.000 2.363 447 V HA -0.314 3.805 4.120 -0.000 0.000 0.254 447 V C 2.332 178.472 176.094 0.076 0.000 1.074 447 V CA 2.440 64.842 62.300 0.170 0.000 1.069 447 V CB -0.689 31.249 31.823 0.192 0.000 0.659 447 V HN 0.765 nan 8.190 nan 0.000 0.455 448 Q N -1.277 118.536 119.800 0.022 0.000 2.119 448 Q HA -0.211 4.129 4.340 -0.000 0.000 0.201 448 Q C 2.151 178.142 176.000 -0.014 0.000 0.972 448 Q CA 1.816 57.411 55.803 -0.347 0.000 0.847 448 Q CB -0.133 28.514 28.738 -0.151 0.000 0.903 448 Q HN 0.638 nan 8.270 nan 0.000 0.433 449 F N 0.468 120.456 119.950 0.064 0.000 2.113 449 F HA -0.210 4.317 4.527 -0.000 0.000 0.297 449 F C 2.253 178.021 175.800 -0.054 0.000 1.103 449 F CA 1.114 59.146 58.000 0.053 0.000 1.248 449 F CB -0.652 38.365 39.000 0.028 0.000 0.999 449 F HN 0.182 nan 8.300 nan 0.000 0.475 450 C N -0.048 119.280 119.300 0.047 0.000 2.359 450 C HA -0.297 4.162 4.460 -0.000 0.000 0.279 450 C C 2.574 177.382 174.990 -0.304 0.000 1.191 450 C CA 1.527 60.477 59.018 -0.114 0.000 1.764 450 C CB -1.831 25.977 27.740 0.113 0.000 2.026 450 C HN 0.827 nan 8.230 nan 0.000 0.442 451 W N -0.176 120.914 121.300 -0.349 0.000 2.290 451 W HA -0.304 4.356 4.660 -0.000 0.000 0.328 451 W C 2.547 178.751 176.519 -0.525 0.000 1.272 451 W CA 2.195 59.285 57.345 -0.425 0.000 1.262 451 W CB -1.103 28.082 29.460 -0.459 0.000 1.151 451 W HN 0.509 nan 8.180 nan 0.000 0.473 452 Y N 0.331 120.346 120.300 -0.476 0.000 2.193 452 Y HA -0.298 4.252 4.550 -0.000 0.000 0.285 452 Y C 2.523 177.780 175.900 -1.071 0.000 1.166 452 Y CA 2.390 60.044 58.100 -0.745 0.000 1.181 452 Y CB -0.891 37.360 38.460 -0.349 0.000 0.976 452 Y HN 0.131 nan 8.280 nan 0.000 0.520 453 L N -0.516 120.124 121.223 -0.972 0.000 1.988 453 L HA -0.217 4.123 4.340 -0.000 0.000 0.207 453 L C 2.269 178.588 176.870 -0.917 0.000 1.071 453 L CA 1.772 56.054 54.840 -0.930 0.000 0.744 453 L CB -0.528 41.026 42.059 -0.842 0.000 0.893 453 L HN 0.202 nan 8.230 nan 0.000 0.433 454 I N -0.360 119.575 120.570 -1.059 0.000 2.300 454 I HA -0.363 3.807 4.170 -0.000 0.000 0.252 454 I C 2.369 177.928 176.117 -0.930 0.000 1.119 454 I CA 1.253 61.766 61.300 -1.312 0.000 1.384 454 I CB -0.276 36.914 38.000 -1.350 0.000 1.062 454 I HN 0.453 nan 8.210 nan 0.000 0.426 455 Q N -0.189 118.999 119.800 -1.019 0.000 2.250 455 Q HA -0.054 4.286 4.340 -0.000 0.000 0.200 455 Q C 2.157 177.747 176.000 -0.684 0.000 0.941 455 Q CA 1.259 56.541 55.803 -0.869 0.000 0.872 455 Q CB -0.020 27.865 28.738 -1.422 0.000 0.965 455 Q HN 0.339 nan 8.270 nan 0.000 0.480 456 T N 0.271 114.301 114.554 -0.874 0.000 2.985 456 T HA 0.054 4.404 4.350 -0.000 0.000 0.266 456 T C 1.492 176.012 174.700 -0.299 0.000 1.076 456 T CA 0.514 62.224 62.100 -0.651 0.000 1.135 456 T CB 0.039 68.352 68.868 -0.926 0.000 0.890 456 T HN 0.164 nan 8.240 nan 0.000 0.480 457 L N 0.154 121.199 121.223 -0.296 0.000 2.068 457 L HA 0.085 4.425 4.340 -0.000 0.000 0.204 457 L C 2.870 179.732 176.870 -0.013 0.000 1.076 457 L CA 1.071 55.862 54.840 -0.081 0.000 0.753 457 L CB -0.380 41.664 42.059 -0.023 0.000 0.910 457 L HN 0.092 nan 8.230 nan 0.000 0.439 458 R N -0.321 120.147 120.500 -0.053 0.000 2.081 458 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 458 R C 1.819 178.116 176.300 -0.005 0.000 1.131 458 R CA 1.595 57.694 56.100 -0.002 0.000 0.960 458 R CB -0.089 30.200 30.300 -0.018 0.000 0.856 458 R HN 0.153 nan 8.270 nan 0.000 0.436 459 F N -0.007 119.854 119.950 -0.148 0.000 2.773 459 F HA 0.124 4.651 4.527 -0.000 0.000 0.304 459 F C 1.191 176.947 175.800 -0.073 0.000 1.129 459 F CA 0.352 58.290 58.000 -0.102 0.000 1.378 459 F CB 0.315 39.251 39.000 -0.106 0.000 1.095 459 F HN 0.018 nan 8.300 nan 0.000 0.565 460 N N -0.942 117.803 118.700 0.075 0.000 2.166 460 N HA 0.128 4.868 4.740 -0.000 0.000 0.213 460 N C 1.649 177.179 175.510 0.033 0.000 1.222 460 N CA 0.893 53.976 53.050 0.054 0.000 0.900 460 N CB 1.081 39.602 38.487 0.056 0.000 1.055 460 N HN 0.216 nan 8.380 nan 0.000 0.515 461 G N 0.915 109.723 108.800 0.014 0.000 2.184 461 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.264 461 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.264 461 G C 1.103 176.020 174.900 0.028 0.000 0.975 461 G CA 1.208 46.310 45.100 0.003 0.000 0.642 461 G HN 0.320 nan 8.290 nan 0.000 0.536 462 T N -0.729 113.862 114.554 0.062 0.000 2.788 462 T HA 0.111 4.461 4.350 -0.000 0.000 0.268 462 T C 1.359 176.120 174.700 0.101 0.000 1.044 462 T CA 1.825 63.989 62.100 0.107 0.000 1.139 462 T CB 0.077 69.061 68.868 0.193 0.000 0.867 462 T HN 0.587 nan 8.240 nan 0.000 0.454 463 R N -0.530 120.022 120.500 0.087 0.000 2.795 463 R HA 0.532 4.872 4.340 -0.000 0.000 0.268 463 R C -1.851 174.446 176.300 -0.005 0.000 1.041 463 R CA -0.728 55.398 56.100 0.043 0.000 0.927 463 R CB 1.481 31.825 30.300 0.075 0.000 1.235 463 R HN -0.043 nan 8.270 nan 0.000 0.463 464 V N 1.216 121.051 119.914 -0.131 0.000 2.353 464 V HA 0.528 4.648 4.120 -0.000 0.000 0.264 464 V C -0.620 175.269 176.094 -0.343 0.000 1.049 464 V CA -0.335 61.865 62.300 -0.167 0.000 0.896 464 V CB 0.007 31.732 31.823 -0.162 0.000 1.025 464 V HN 0.429 nan 8.190 nan 0.000 0.475 465 F N 1.679 121.592 119.950 -0.062 0.000 2.540 465 F HA 0.553 5.080 4.527 -0.000 0.000 0.317 465 F C 0.860 176.629 175.800 -0.051 0.000 1.104 465 F CA -0.249 57.715 58.000 -0.060 0.000 0.913 465 F CB 2.387 41.325 39.000 -0.104 0.000 1.170 465 F HN 0.454 nan 8.300 nan 0.000 0.450 466 S N 2.577 118.387 115.700 0.184 0.000 2.593 466 S HA 0.145 4.615 4.470 -0.000 0.000 0.269 466 S C 1.216 175.866 174.600 0.084 0.000 1.334 466 S CA -0.568 57.690 58.200 0.097 0.000 1.015 466 S CB 1.188 64.436 63.200 0.079 0.000 0.912 466 S HN 0.629 nan 8.310 nan 0.000 0.541 467 K N 1.389 121.810 120.400 0.035 0.000 2.062 467 K HA -0.093 4.227 4.320 -0.000 0.000 0.205 467 K C 2.053 178.656 176.600 0.004 0.000 1.051 467 K CA 1.029 57.323 56.287 0.012 0.000 0.941 467 K CB -0.074 32.425 32.500 -0.000 0.000 0.719 467 K HN 0.662 nan 8.250 nan 0.000 0.440 468 E N 0.597 120.807 120.200 0.015 0.000 2.077 468 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 468 E C 1.765 178.371 176.600 0.010 0.000 0.989 468 E CA 1.332 57.736 56.400 0.006 0.000 0.800 468 E CB -0.733 28.979 29.700 0.019 0.000 0.746 468 E HN 0.079 nan 8.360 nan 0.000 0.452 469 T N 1.278 115.872 114.554 0.068 0.000 2.812 469 T HA -0.130 4.219 4.350 -0.000 0.000 0.264 469 T C 2.002 176.738 174.700 0.061 0.000 1.042 469 T CA 1.550 63.722 62.100 0.120 0.000 1.140 469 T CB -0.223 68.812 68.868 0.278 0.000 0.870 469 T HN 0.325 nan 8.240 nan 0.000 0.445 470 S N 1.452 117.160 115.700 0.014 0.000 2.354 470 S HA -0.195 4.275 4.470 -0.000 0.000 0.219 470 S C 1.769 176.310 174.600 -0.098 0.000 1.035 470 S CA 1.883 60.032 58.200 -0.086 0.000 1.037 470 S CB -0.667 62.489 63.200 -0.073 0.000 0.956 470 S HN 0.372 nan 8.310 nan 0.000 0.428 471 D N 0.991 121.302 120.400 -0.148 0.000 2.149 471 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 471 D C 1.966 177.904 176.300 -0.603 0.000 0.990 471 D CA 1.286 55.065 54.000 -0.368 0.000 0.839 471 D CB -0.610 39.952 40.800 -0.396 0.000 0.948 471 D HN 0.741 nan 8.370 nan 0.000 0.460 472 E N 0.439 120.446 120.200 -0.323 0.000 2.070 472 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 472 E C 1.575 178.126 176.600 -0.082 0.000 1.004 472 E CA 1.431 57.720 56.400 -0.186 0.000 0.805 472 E CB -0.058 29.628 29.700 -0.024 0.000 0.744 472 E HN 0.210 nan 8.360 nan 0.000 0.451 473 A N -0.343 122.472 122.820 -0.008 0.000 2.251 473 A HA 0.056 4.376 4.320 -0.000 0.000 0.209 473 A C 1.870 179.561 177.584 0.178 0.000 1.187 473 A CA 0.774 52.874 52.037 0.105 0.000 0.823 473 A CB 0.028 19.110 19.000 0.136 0.000 0.846 473 A HN 0.262 nan 8.150 nan 0.000 0.486 474 T N -1.345 113.260 114.554 0.085 0.000 3.044 474 T HA 0.144 4.494 4.350 -0.000 0.000 0.255 474 T C 1.362 176.145 174.700 0.138 0.000 1.073 474 T CA 0.437 62.654 62.100 0.196 0.000 1.125 474 T CB -0.307 68.685 68.868 0.206 0.000 0.908 474 T HN 0.544 nan 8.240 nan 0.000 0.480 475 F N 1.685 121.676 119.950 0.067 0.000 2.163 475 F HA 0.023 4.550 4.527 -0.000 0.000 0.297 475 F C 2.840 178.618 175.800 -0.036 0.000 1.094 475 F CA 0.286 58.279 58.000 -0.011 0.000 1.290 475 F CB -0.347 38.648 39.000 -0.009 0.000 1.017 475 F HN 0.128 nan 8.300 nan 0.000 0.483 476 A N 1.120 124.068 122.820 0.213 0.000 1.863 476 A HA -0.334 3.986 4.320 -0.000 0.000 0.218 476 A C 1.960 179.612 177.584 0.113 0.000 1.233 476 A CA 2.243 54.367 52.037 0.145 0.000 0.655 476 A CB -1.493 17.606 19.000 0.164 0.000 0.839 476 A HN 0.408 nan 8.150 nan 0.000 0.454 477 F N 0.697 120.596 119.950 -0.085 0.000 2.060 477 F HA 0.019 4.546 4.527 -0.000 0.000 0.295 477 F C 2.622 178.253 175.800 -0.281 0.000 1.120 477 F CA 1.190 59.060 58.000 -0.216 0.000 1.205 477 F CB -0.937 37.828 39.000 -0.391 0.000 0.986 477 F HN 0.258 nan 8.300 nan 0.000 0.470 478 A N 0.002 122.634 122.820 -0.314 0.000 2.139 478 A HA -0.091 4.229 4.320 -0.000 0.000 0.221 478 A C 2.271 179.635 177.584 -0.367 0.000 1.159 478 A CA 1.851 53.654 52.037 -0.390 0.000 0.662 478 A CB -1.435 17.480 19.000 -0.143 0.000 0.796 478 A HN 0.532 nan 8.150 nan 0.000 0.463 479 A N -1.795 120.827 122.820 -0.330 0.000 1.943 479 A HA 0.023 4.343 4.320 -0.000 0.000 0.213 479 A C 2.067 179.272 177.584 -0.632 0.000 1.181 479 A CA 1.021 52.758 52.037 -0.499 0.000 0.653 479 A CB -0.255 18.477 19.000 -0.446 0.000 0.833 479 A HN 0.407 nan 8.150 nan 0.000 0.451 480 Q N 0.345 119.920 119.800 -0.376 0.000 2.084 480 Q HA -0.059 4.281 4.340 -0.000 0.000 0.202 480 Q C 2.027 177.885 176.000 -0.236 0.000 0.978 480 Q CA 1.222 56.913 55.803 -0.185 0.000 0.844 480 Q CB -0.571 28.137 28.738 -0.051 0.000 0.898 480 Q HN 0.715 nan 8.270 nan 0.000 0.426 481 L N 0.368 121.323 121.223 -0.446 0.000 2.353 481 L HA -0.137 4.203 4.340 -0.000 0.000 0.220 481 L C 2.267 178.946 176.870 -0.318 0.000 1.133 481 L CA 0.816 55.394 54.840 -0.436 0.000 0.798 481 L CB -0.324 41.353 42.059 -0.637 0.000 0.922 481 L HN 0.264 nan 8.230 nan 0.000 0.445 482 E N 0.508 120.507 120.200 -0.335 0.000 2.028 482 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 482 E C 2.191 178.758 176.600 -0.055 0.000 0.984 482 E CA 0.858 57.082 56.400 -0.293 0.000 0.800 482 E CB -0.066 29.429 29.700 -0.341 0.000 0.758 482 E HN 0.451 nan 8.360 nan 0.000 0.448 483 F N 0.002 119.877 119.950 -0.124 0.000 2.373 483 F HA -0.120 4.407 4.527 -0.000 0.000 0.300 483 F C 1.719 177.493 175.800 -0.043 0.000 1.080 483 F CA 0.039 58.007 58.000 -0.055 0.000 1.417 483 F CB 0.168 39.154 39.000 -0.023 0.000 1.070 483 F HN 0.088 nan 8.300 nan 0.000 0.546 484 A N -0.430 122.452 122.820 0.104 0.000 2.545 484 A HA 0.139 4.459 4.320 -0.000 0.000 0.277 484 A C 0.767 178.381 177.584 0.050 0.000 1.301 484 A CA -0.191 51.887 52.037 0.067 0.000 0.935 484 A CB -0.090 18.907 19.000 -0.005 0.000 1.093 484 A HN 0.271 nan 8.150 nan 0.000 0.519 485 Q N -1.270 118.551 119.800 0.035 0.000 2.437 485 Q HA -0.205 4.135 4.340 -0.000 0.000 0.274 485 Q C -0.089 176.021 176.000 0.183 0.000 1.165 485 Q CA 1.012 56.912 55.803 0.161 0.000 0.925 485 Q CB -2.047 26.831 28.738 0.233 0.000 1.327 485 Q HN 0.719 nan 8.270 nan 0.000 0.505 486 L N 0.050 121.245 121.223 -0.047 0.000 3.073 486 L HA 0.154 4.494 4.340 -0.000 0.000 0.242 486 L C 1.795 178.653 176.870 -0.019 0.000 1.317 486 L CA -0.486 54.349 54.840 -0.008 0.000 1.081 486 L CB -0.062 41.932 42.059 -0.108 0.000 1.456 486 L HN 0.280 nan 8.230 nan 0.000 0.525 487 H N 0.319 119.386 119.070 -0.006 0.000 2.407 487 H HA -0.222 4.334 4.556 -0.000 0.000 0.293 487 H C 2.074 177.411 175.328 0.015 0.000 1.122 487 H CA 1.586 57.634 56.048 0.000 0.000 1.232 487 H CB -0.071 29.697 29.762 0.009 0.000 1.361 487 H HN 0.605 nan 8.280 nan 0.000 0.498 488 G N 0.640 109.533 108.800 0.155 0.000 2.459 488 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.217 488 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.217 488 G C 1.584 176.536 174.900 0.087 0.000 1.183 488 G CA 1.114 46.264 45.100 0.084 0.000 0.776 488 G HN 0.402 nan 8.290 nan 0.000 0.552 489 H N 1.336 120.378 119.070 -0.047 0.000 2.261 489 H HA -0.109 4.447 4.556 -0.000 0.000 0.301 489 H C 3.089 178.368 175.328 -0.081 0.000 1.067 489 H CA 1.889 57.885 56.048 -0.088 0.000 1.297 489 H CB -0.700 28.937 29.762 -0.208 0.000 1.377 489 H HN 0.419 nan 8.280 nan 0.000 0.492 490 S N 0.119 115.784 115.700 -0.060 0.000 2.407 490 S HA -0.177 4.293 4.470 -0.000 0.000 0.235 490 S C 2.362 176.955 174.600 -0.012 0.000 1.036 490 S CA 1.480 59.584 58.200 -0.159 0.000 1.013 490 S CB -0.769 62.292 63.200 -0.232 0.000 0.820 490 S HN 0.259 nan 8.310 nan 0.000 0.476 491 L N 0.432 121.696 121.223 0.069 0.000 1.976 491 L HA 0.097 4.437 4.340 -0.000 0.000 0.209 491 L C 2.299 179.270 176.870 0.169 0.000 1.071 491 L CA 2.089 56.992 54.840 0.105 0.000 0.746 491 L CB -0.935 41.192 42.059 0.113 0.000 0.890 491 L HN 0.439 nan 8.230 nan 0.000 0.432 492 F N -0.620 119.379 119.950 0.082 0.000 2.065 492 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 492 F C 2.191 178.154 175.800 0.273 0.000 1.112 492 F CA 2.086 60.178 58.000 0.152 0.000 1.212 492 F CB -0.582 38.519 39.000 0.168 0.000 0.975 492 F HN -0.117 nan 8.300 nan 0.000 0.476 493 V N -0.136 119.982 119.914 0.341 0.000 2.568 493 V HA -0.287 3.833 4.120 -0.000 0.000 0.253 493 V C 2.386 178.604 176.094 0.206 0.000 1.072 493 V CA 1.960 64.335 62.300 0.126 0.000 1.084 493 V CB -1.019 30.611 31.823 -0.321 0.000 0.676 493 V HN 0.412 nan 8.190 nan 0.000 0.469 494 S N -0.808 114.966 115.700 0.123 0.000 2.423 494 S HA -0.173 4.297 4.470 -0.000 0.000 0.231 494 S C 1.759 176.437 174.600 0.130 0.000 1.014 494 S CA 1.519 59.801 58.200 0.138 0.000 0.965 494 S CB -0.447 62.810 63.200 0.095 0.000 0.785 494 S HN 0.738 nan 8.310 nan 0.000 0.495 495 C N 0.900 120.220 119.300 0.033 0.000 2.511 495 C HA 0.181 4.641 4.460 -0.000 0.000 0.277 495 C C 1.148 175.996 174.990 -0.237 0.000 1.451 495 C CA -0.391 58.551 59.018 -0.126 0.000 1.735 495 C CB -2.146 25.427 27.740 -0.278 0.000 1.704 495 C HN 0.460 nan 8.230 nan 0.000 0.571 496 F N 0.347 120.302 119.950 0.008 0.000 2.660 496 F HA 0.337 4.864 4.527 -0.000 0.000 0.297 496 F C 0.619 176.467 175.800 0.080 0.000 1.132 496 F CA -0.203 57.839 58.000 0.071 0.000 1.372 496 F CB -0.358 38.754 39.000 0.187 0.000 1.003 496 F HN 0.018 nan 8.300 nan 0.000 0.524 497 L N 0.677 121.990 121.223 0.150 0.000 2.312 497 L HA 0.272 4.612 4.340 -0.000 0.000 0.281 497 L C 1.205 178.111 176.870 0.060 0.000 1.070 497 L CA 0.196 55.100 54.840 0.108 0.000 0.805 497 L CB 0.666 42.809 42.059 0.140 0.000 1.174 497 L HN 0.002 nan 8.230 nan 0.000 0.434 498 N N 0.280 119.003 118.700 0.038 0.000 2.409 498 N HA -0.038 4.702 4.740 -0.000 0.000 0.174 498 N C -0.132 175.390 175.510 0.021 0.000 1.037 498 N CA 0.338 53.399 53.050 0.019 0.000 0.898 498 N CB 0.159 38.648 38.487 0.004 0.000 1.010 498 N HN 0.528 nan 8.380 nan 0.000 0.445 499 D N 2.067 122.491 120.400 0.040 0.000 2.402 499 D HA 0.039 4.679 4.640 -0.000 0.000 0.235 499 D C 0.412 176.730 176.300 0.030 0.000 1.226 499 D CA -0.133 53.894 54.000 0.044 0.000 0.918 499 D CB 0.374 41.222 40.800 0.081 0.000 1.043 499 D HN 0.013 nan 8.370 nan 0.000 0.506 500 D N 2.712 123.116 120.400 0.006 0.000 2.239 500 D HA -0.222 4.418 4.640 -0.000 0.000 0.202 500 D C 1.540 177.808 176.300 -0.053 0.000 0.993 500 D CA 0.979 54.969 54.000 -0.017 0.000 0.874 500 D CB 0.442 41.232 40.800 -0.017 0.000 0.922 500 D HN 0.303 nan 8.370 nan 0.000 0.464 501 K N 1.231 121.609 120.400 -0.036 0.000 1.991 501 K HA 0.018 4.338 4.320 -0.000 0.000 0.207 501 K C 1.971 178.533 176.600 -0.063 0.000 1.045 501 K CA 1.473 57.725 56.287 -0.058 0.000 0.937 501 K CB -0.699 31.783 32.500 -0.030 0.000 0.720 501 K HN -0.005 nan 8.250 nan 0.000 0.438 502 A N 0.575 123.393 122.820 -0.004 0.000 1.933 502 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 502 A C 2.328 179.918 177.584 0.011 0.000 1.175 502 A CA 2.146 54.193 52.037 0.016 0.000 0.628 502 A CB -1.060 18.024 19.000 0.139 0.000 0.814 502 A HN 0.411 nan 8.150 nan 0.000 0.444 503 A N -0.242 122.595 122.820 0.028 0.000 1.851 503 A HA -0.232 4.088 4.320 -0.000 0.000 0.216 503 A C 2.092 179.648 177.584 -0.047 0.000 1.195 503 A CA 1.885 53.943 52.037 0.035 0.000 0.622 503 A CB -0.696 18.331 19.000 0.044 0.000 0.831 503 A HN 0.650 nan 8.150 nan 0.000 0.444 504 E N -0.353 119.703 120.200 -0.240 0.000 2.038 504 E HA -0.302 4.048 4.350 -0.000 0.000 0.195 504 E C 1.733 178.111 176.600 -0.369 0.000 1.000 504 E CA 1.752 57.716 56.400 -0.727 0.000 0.803 504 E CB -0.304 28.871 29.700 -0.875 0.000 0.750 504 E HN 0.553 nan 8.360 nan 0.000 0.448 505 D N -0.643 119.626 120.400 -0.217 0.000 2.127 505 D HA -0.174 4.466 4.640 -0.000 0.000 0.190 505 D C 1.869 178.125 176.300 -0.072 0.000 1.000 505 D CA 2.406 56.332 54.000 -0.124 0.000 0.839 505 D CB -0.238 40.501 40.800 -0.102 0.000 0.955 505 D HN 0.159 nan 8.370 nan 0.000 0.446 506 T N -0.043 114.477 114.554 -0.056 0.000 2.614 506 T HA -0.120 4.230 4.350 -0.000 0.000 0.263 506 T C 2.139 176.854 174.700 0.025 0.000 1.055 506 T CA 1.265 63.344 62.100 -0.035 0.000 1.162 506 T CB -0.463 68.388 68.868 -0.028 0.000 0.863 506 T HN 0.161 nan 8.240 nan 0.000 0.414 507 I N 1.260 121.882 120.570 0.086 0.000 2.145 507 I HA -0.307 3.863 4.170 -0.000 0.000 0.244 507 I C 2.599 178.825 176.117 0.182 0.000 1.075 507 I CA 1.710 63.108 61.300 0.163 0.000 1.332 507 I CB -0.432 37.746 38.000 0.297 0.000 1.033 507 I HN 0.269 nan 8.210 nan 0.000 0.410 508 K N 1.228 121.762 120.400 0.222 0.000 2.032 508 K HA -0.257 4.062 4.320 -0.000 0.000 0.209 508 K C 2.368 179.018 176.600 0.083 0.000 1.048 508 K CA 1.629 58.026 56.287 0.183 0.000 0.927 508 K CB -0.169 32.413 32.500 0.138 0.000 0.712 508 K HN 0.163 nan 8.250 nan 0.000 0.441 509 R N 0.290 120.816 120.500 0.044 0.000 2.075 509 R HA -0.154 4.185 4.340 -0.000 0.000 0.230 509 R C 2.360 178.677 176.300 0.029 0.000 1.140 509 R CA 1.657 57.768 56.100 0.017 0.000 0.928 509 R CB -0.600 29.693 30.300 -0.012 0.000 0.834 509 R HN 0.237 nan 8.270 nan 0.000 0.429 510 L N 0.664 121.906 121.223 0.032 0.000 2.021 510 L HA -0.225 4.115 4.340 -0.000 0.000 0.215 510 L C 2.347 179.261 176.870 0.074 0.000 1.074 510 L CA 1.604 56.474 54.840 0.050 0.000 0.760 510 L CB -0.501 41.582 42.059 0.040 0.000 0.889 510 L HN 0.121 nan 8.230 nan 0.000 0.433 511 V N -1.409 118.544 119.914 0.066 0.000 2.283 511 V HA -0.292 3.828 4.120 -0.000 0.000 0.243 511 V C 2.528 178.640 176.094 0.030 0.000 1.039 511 V CA 1.599 63.931 62.300 0.053 0.000 1.016 511 V CB -0.433 31.418 31.823 0.048 0.000 0.650 511 V HN 0.372 nan 8.190 nan 0.000 0.449 512 M N -0.307 119.309 119.600 0.027 0.000 2.146 512 M HA -0.269 4.211 4.480 -0.000 0.000 0.256 512 M C 2.263 178.552 176.300 -0.018 0.000 1.075 512 M CA 2.018 57.319 55.300 0.003 0.000 1.082 512 M CB -1.193 31.409 32.600 0.004 0.000 1.355 512 M HN 0.371 nan 8.290 nan 0.000 0.402 513 R N 0.031 120.528 120.500 -0.004 0.000 2.112 513 R HA -0.035 4.305 4.340 -0.000 0.000 0.216 513 R C 0.379 176.670 176.300 -0.014 0.000 1.080 513 R CA 0.792 56.882 56.100 -0.017 0.000 0.996 513 R CB 0.432 30.737 30.300 0.009 0.000 0.902 513 R HN 0.209 nan 8.270 nan 0.000 0.449 514 E N 0.963 121.170 120.200 0.012 0.000 2.939 514 E HA 0.098 4.448 4.350 -0.000 0.000 0.215 514 E C 0.979 177.547 176.600 -0.054 0.000 1.025 514 E CA -0.145 56.231 56.400 -0.041 0.000 1.259 514 E CB 0.670 30.346 29.700 -0.040 0.000 1.228 514 E HN 0.385 nan 8.360 nan 0.000 0.443 515 I N 0.428 120.979 120.570 -0.031 0.000 2.142 515 I HA -0.276 3.894 4.170 -0.000 0.000 0.240 515 I C 2.136 178.235 176.117 -0.030 0.000 1.078 515 I CA 1.477 62.765 61.300 -0.020 0.000 1.343 515 I CB -0.521 37.471 38.000 -0.014 0.000 1.046 515 I HN 0.088 nan 8.210 nan 0.000 0.405 516 T N 1.353 115.886 114.554 -0.035 0.000 2.699 516 T HA -0.201 4.148 4.350 -0.000 0.000 0.268 516 T C 1.839 176.509 174.700 -0.051 0.000 1.036 516 T CA 1.181 63.263 62.100 -0.031 0.000 1.147 516 T CB -0.404 68.449 68.868 -0.025 0.000 0.862 516 T HN 0.098 nan 8.240 nan 0.000 0.446 517 L N 0.464 121.627 121.223 -0.099 0.000 2.275 517 L HA 0.180 4.520 4.340 -0.000 0.000 0.215 517 L C 1.635 178.445 176.870 -0.099 0.000 1.119 517 L CA 1.323 56.074 54.840 -0.148 0.000 0.790 517 L CB -0.787 41.068 42.059 -0.340 0.000 0.919 517 L HN 0.328 nan 8.230 nan 0.000 0.443 518 L N -1.710 119.479 121.223 -0.057 0.000 2.700 518 L HA 0.145 4.485 4.340 -0.000 0.000 0.234 518 L C 1.538 178.419 176.870 0.018 0.000 1.156 518 L CA -0.358 54.480 54.840 -0.003 0.000 0.946 518 L CB -0.199 41.871 42.059 0.019 0.000 1.216 518 L HN 0.068 nan 8.230 nan 0.000 0.493 519 R N 0.530 121.034 120.500 0.007 0.000 2.120 519 R HA 0.400 4.740 4.340 -0.000 0.000 0.117 519 R C 1.935 178.243 176.300 0.014 0.000 1.688 519 R CA 0.504 56.614 56.100 0.017 0.000 1.540 519 R CB -0.949 29.358 30.300 0.012 0.000 1.245 519 R HN -0.030 nan 8.270 nan 0.000 0.482 520 A N 0.673 123.496 122.820 0.006 0.000 2.131 520 A HA -0.255 4.065 4.320 -0.000 0.000 0.224 520 A C 1.956 179.533 177.584 -0.012 0.000 1.172 520 A CA 2.971 55.006 52.037 -0.002 0.000 0.672 520 A CB -0.497 18.502 19.000 -0.001 0.000 0.815 520 A HN 0.578 nan 8.150 nan 0.000 0.477 521 S N -3.792 111.904 115.700 -0.007 0.000 2.651 521 S HA 0.051 4.521 4.470 -0.000 0.000 0.259 521 S C 0.922 175.522 174.600 -0.000 0.000 1.073 521 S CA 0.814 59.008 58.200 -0.010 0.000 1.090 521 S CB -0.164 63.033 63.200 -0.005 0.000 1.042 521 S HN 0.330 nan 8.310 nan 0.000 0.581 522 T N 3.336 117.900 114.554 0.017 0.000 3.829 522 T HA 0.218 4.568 4.350 -0.000 0.000 0.251 522 T C 0.292 175.031 174.700 0.065 0.000 1.030 522 T CA 0.684 62.809 62.100 0.041 0.000 0.954 522 T CB -1.174 67.724 68.868 0.049 0.000 1.120 522 T HN 0.641 nan 8.240 nan 0.000 0.633 523 N N 1.184 119.885 118.700 0.002 0.000 3.002 523 N HA -0.165 4.575 4.740 -0.000 0.000 0.229 523 N C -0.397 174.881 175.510 -0.388 0.000 0.927 523 N CA 0.853 53.844 53.050 -0.098 0.000 0.980 523 N CB -1.119 37.405 38.487 0.061 0.000 1.077 523 N HN 0.501 nan 8.380 nan 0.000 0.572 524 D N -0.726 119.580 120.400 -0.156 0.000 3.082 524 D HA -0.268 4.372 4.640 -0.000 0.000 0.234 524 D C 0.217 176.463 176.300 -0.089 0.000 1.159 524 D CA 2.075 56.000 54.000 -0.126 0.000 0.875 524 D CB -0.912 39.802 40.800 -0.142 0.000 0.946 524 D HN 0.857 nan 8.370 nan 0.000 0.411 525 H N -0.795 118.278 119.070 0.006 0.000 1.797 525 H HA -0.080 4.476 4.556 -0.000 0.000 0.115 525 H C 2.021 177.355 175.328 0.010 0.000 0.908 525 H CA 0.402 56.454 56.048 0.007 0.000 0.413 525 H CB -1.426 28.339 29.762 0.005 0.000 0.314 525 H HN 0.235 nan 8.280 nan 0.000 0.208 526 I N 2.285 122.929 120.570 0.124 0.000 2.267 526 I HA -0.423 3.747 4.170 -0.000 0.000 0.239 526 I C 2.469 178.565 176.117 -0.036 0.000 0.984 526 I CA 2.743 63.987 61.300 -0.094 0.000 1.272 526 I CB -0.611 37.402 38.000 0.021 0.000 0.976 526 I HN 0.174 nan 8.210 nan 0.000 0.407 527 L N 0.168 121.406 121.223 0.024 0.000 2.013 527 L HA -0.255 4.084 4.340 -0.000 0.000 0.212 527 L C 2.347 179.217 176.870 -0.000 0.000 1.073 527 L CA 1.665 56.515 54.840 0.016 0.000 0.753 527 L CB -0.836 41.238 42.059 0.025 0.000 0.890 527 L HN 0.419 nan 8.230 nan 0.000 0.432 528 N N -0.143 118.563 118.700 0.010 0.000 2.270 528 N HA -0.101 4.639 4.740 -0.000 0.000 0.181 528 N C 1.892 177.392 175.510 -0.017 0.000 1.016 528 N CA 0.793 53.845 53.050 0.003 0.000 0.870 528 N CB -0.191 38.313 38.487 0.028 0.000 0.979 528 N HN 0.323 nan 8.380 nan 0.000 0.431 529 R N 0.614 121.082 120.500 -0.054 0.000 2.152 529 R HA 0.063 4.403 4.340 -0.000 0.000 0.232 529 R C 1.295 177.571 176.300 -0.041 0.000 1.117 529 R CA 0.650 56.694 56.100 -0.094 0.000 0.981 529 R CB -0.057 30.089 30.300 -0.256 0.000 0.870 529 R HN 0.231 nan 8.270 nan 0.000 0.451 530 L N 0.177 121.388 121.223 -0.019 0.000 2.653 530 L HA 0.133 4.473 4.340 -0.000 0.000 0.231 530 L C 0.641 177.503 176.870 -0.013 0.000 1.153 530 L CA -0.014 54.833 54.840 0.010 0.000 0.933 530 L CB 0.051 42.136 42.059 0.043 0.000 1.175 530 L HN 0.102 nan 8.230 nan 0.000 0.473 531 K N 1.178 121.565 120.400 -0.022 0.000 3.069 531 K HA -0.193 4.127 4.320 -0.000 0.000 0.267 531 K C 0.256 176.822 176.600 -0.057 0.000 1.082 531 K CA 0.144 56.412 56.287 -0.032 0.000 0.782 531 K CB -0.915 31.568 32.500 -0.028 0.000 1.230 531 K HN 0.325 nan 8.250 nan 0.000 0.488 532 I N 1.305 121.837 120.570 -0.063 0.000 2.813 532 I HA -0.035 4.135 4.170 -0.000 0.000 0.287 532 I C -1.616 174.410 176.117 -0.151 0.000 1.196 532 I CA -1.463 59.766 61.300 -0.118 0.000 1.421 532 I CB 0.193 38.145 38.000 -0.081 0.000 1.365 532 I HN 0.013 nan 8.210 nan 0.000 0.591 533 P HA 0.036 nan 4.420 nan 0.000 0.262 533 P C 0.361 177.594 177.300 -0.111 0.000 1.199 533 P CA 0.197 63.162 63.100 -0.225 0.000 0.763 533 P CB 0.588 32.044 31.700 -0.407 0.000 0.790 534 S N 2.538 118.203 115.700 -0.059 0.000 2.380 534 S HA -0.278 4.191 4.470 -0.000 0.000 0.229 534 S C 1.794 176.408 174.600 0.024 0.000 1.043 534 S CA 1.518 59.708 58.200 -0.016 0.000 1.038 534 S CB -0.534 62.652 63.200 -0.023 0.000 0.872 534 S HN 0.538 nan 8.310 nan 0.000 0.456 535 Q N 0.880 120.690 119.800 0.017 0.000 2.124 535 Q HA -0.001 4.339 4.340 -0.000 0.000 0.202 535 Q C 2.012 178.067 176.000 0.091 0.000 0.977 535 Q CA 1.073 56.922 55.803 0.076 0.000 0.850 535 Q CB -0.554 28.220 28.738 0.061 0.000 0.901 535 Q HN 0.470 nan 8.270 nan 0.000 0.429 536 L N -0.329 120.902 121.223 0.013 0.000 2.093 536 L HA -0.048 4.292 4.340 -0.000 0.000 0.208 536 L C 1.902 178.788 176.870 0.026 0.000 1.085 536 L CA 1.448 56.292 54.840 0.006 0.000 0.755 536 L CB -0.384 41.626 42.059 -0.081 0.000 0.904 536 L HN 0.334 nan 8.230 nan 0.000 0.435 537 I N -1.566 119.024 120.570 0.033 0.000 2.113 537 I HA -0.330 3.840 4.170 -0.000 0.000 0.238 537 I C 2.328 178.507 176.117 0.103 0.000 1.070 537 I CA 1.734 63.067 61.300 0.055 0.000 1.332 537 I CB -0.567 37.467 38.000 0.058 0.000 1.044 537 I HN 0.257 nan 8.210 nan 0.000 0.402 538 F N 2.311 122.256 119.950 -0.009 0.000 2.046 538 F HA -0.321 4.206 4.527 -0.000 0.000 0.297 538 F C 2.439 178.243 175.800 0.006 0.000 1.123 538 F CA 2.141 60.141 58.000 0.000 0.000 1.199 538 F CB -0.712 38.288 39.000 -0.000 0.000 0.972 538 F HN 0.094 nan 8.300 nan 0.000 0.474 539 N N 0.802 119.516 118.700 0.024 0.000 2.036 539 N HA -0.256 4.484 4.740 -0.000 0.000 0.199 539 N C 1.832 177.269 175.510 -0.121 0.000 1.036 539 N CA 2.470 55.476 53.050 -0.073 0.000 0.870 539 N CB -0.906 37.605 38.487 0.040 0.000 1.055 539 N HN 0.418 nan 8.380 nan 0.000 0.436 540 A N -0.180 122.606 122.820 -0.058 0.000 1.930 540 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 540 A C 2.199 179.737 177.584 -0.075 0.000 1.175 540 A CA 1.820 53.827 52.037 -0.051 0.000 0.627 540 A CB -0.850 18.140 19.000 -0.015 0.000 0.815 540 A HN 0.552 nan 8.150 nan 0.000 0.443 541 Q N 0.365 120.114 119.800 -0.084 0.000 1.975 541 Q HA -0.118 4.221 4.340 -0.000 0.000 0.205 541 Q C 2.058 177.982 176.000 -0.125 0.000 0.990 541 Q CA 2.784 58.539 55.803 -0.079 0.000 0.845 541 Q CB -0.771 27.937 28.738 -0.051 0.000 0.913 541 Q HN 0.509 nan 8.270 nan 0.000 0.420 542 A N 0.660 123.321 122.820 -0.265 0.000 1.884 542 A HA -0.230 4.090 4.320 -0.000 0.000 0.219 542 A C 2.107 179.608 177.584 -0.140 0.000 1.197 542 A CA 1.886 53.755 52.037 -0.279 0.000 0.637 542 A CB -1.350 17.337 19.000 -0.522 0.000 0.827 542 A HN 0.575 nan 8.150 nan 0.000 0.450 543 L N -0.070 121.077 121.223 -0.128 0.000 2.064 543 L HA -0.253 4.087 4.340 -0.000 0.000 0.216 543 L C 2.246 179.114 176.870 -0.002 0.000 1.077 543 L CA 2.899 57.705 54.840 -0.057 0.000 0.766 543 L CB -0.707 41.318 42.059 -0.058 0.000 0.890 543 L HN 0.561 nan 8.230 nan 0.000 0.435 544 K N -1.153 119.245 120.400 -0.004 0.000 2.044 544 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 544 K C 1.775 178.445 176.600 0.116 0.000 1.049 544 K CA 1.240 57.568 56.287 0.068 0.000 0.945 544 K CB -0.148 32.374 32.500 0.037 0.000 0.724 544 K HN 0.388 nan 8.250 nan 0.000 0.440 545 D N 0.697 121.123 120.400 0.043 0.000 2.158 545 D HA -0.226 4.414 4.640 -0.000 0.000 0.197 545 D C 1.983 178.310 176.300 0.046 0.000 0.995 545 D CA 1.183 55.205 54.000 0.036 0.000 0.846 545 D CB -0.137 40.664 40.800 0.002 0.000 0.941 545 D HN 0.224 nan 8.370 nan 0.000 0.456 546 R N 0.051 120.576 120.500 0.041 0.000 2.083 546 R HA -0.229 4.111 4.340 -0.000 0.000 0.237 546 R C 2.397 178.755 176.300 0.097 0.000 1.137 546 R CA 1.258 57.387 56.100 0.047 0.000 0.951 546 R CB -0.869 29.449 30.300 0.030 0.000 0.851 546 R HN 0.231 nan 8.270 nan 0.000 0.434 547 Y N 1.537 121.837 120.300 -0.001 0.000 2.089 547 Y HA -0.166 4.384 4.550 -0.000 0.000 0.282 547 Y C 1.713 177.641 175.900 0.047 0.000 1.139 547 Y CA 2.263 60.373 58.100 0.018 0.000 1.123 547 Y CB -0.390 38.073 38.460 0.005 0.000 0.980 547 Y HN 0.245 nan 8.280 nan 0.000 0.493 548 E N -0.208 119.976 120.200 -0.027 0.000 2.219 548 E HA -0.201 4.149 4.350 -0.000 0.000 0.198 548 E C 2.354 178.918 176.600 -0.059 0.000 0.998 548 E CA 0.748 57.086 56.400 -0.103 0.000 0.818 548 E CB -0.552 29.165 29.700 0.029 0.000 0.741 548 E HN 0.711 nan 8.360 nan 0.000 0.477 549 G N 2.429 111.211 108.800 -0.030 0.000 2.469 549 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 549 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 549 G C 1.303 176.175 174.900 -0.047 0.000 1.150 549 G CA 1.172 46.259 45.100 -0.023 0.000 0.763 549 G HN 0.273 nan 8.290 nan 0.000 0.561 550 N N -0.909 117.746 118.700 -0.074 0.000 2.236 550 N HA 0.067 4.807 4.740 -0.000 0.000 0.196 550 N C 1.181 176.615 175.510 -0.127 0.000 1.114 550 N CA -0.029 52.970 53.050 -0.085 0.000 0.859 550 N CB -0.097 38.356 38.487 -0.057 0.000 0.982 550 N HN 0.523 nan 8.380 nan 0.000 0.493 551 Y N 1.399 121.560 120.300 -0.233 0.000 2.503 551 Y HA 0.340 4.890 4.550 -0.000 0.000 0.278 551 Y C 0.647 176.466 175.900 -0.134 0.000 1.111 551 Y CA -0.171 57.795 58.100 -0.223 0.000 1.270 551 Y CB 0.281 38.535 38.460 -0.345 0.000 1.063 551 Y HN -0.158 nan 8.280 nan 0.000 0.548 552 L N 0.000 121.148 121.223 -0.124 0.000 2.949 552 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 552 L CA 0.000 54.782 54.840 -0.097 0.000 0.813 552 L CB 0.000 42.056 42.059 -0.005 0.000 0.961 552 L HN 0.000 nan 8.230 nan 0.000 0.502