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 2vbe_1_A DATA FIRST_RESID 113 DATA SEQUENCE FGPDLIEQLA QSGKYSQDNT KGDAXIGVKQ PLPKAVLRTQ HDKNKEAISI DATA SEQUENCE LDFGVIDDGV TDNYQAIQNA IDAVASLPSG GELFIPASNQ AVGYIVGSTL DATA SEQUENCE LIPGGVNIRG VGKASQLRAK SGLTGSVLRL SYDSDTIGRY LRNIRVTGNN DATA SEQUENCE TCNGIDTNIT AEDSVIRQVY GWVFDNVXVN EVETAYLXQG LWHSKFIACQ DATA SEQUENCE AGTCRVGLHF LGQCVSVSVS SCHFSRGNYS ADESFGIRIQ PQTYAWSSEA DATA SEQUENCE VRSEAIILDS ETXCIGFKNA VYVHDCLDLH XEQLDLDYCG STGVVIENVN DATA SEQUENCE GGFSFSNSWI AADADGTEQF TGIYFRTPTS TQSHKIVSGV HINTANKNTA DATA SEQUENCE ANNQSIAIEQ SAIFVFVSGC TLTGDEWAVN IVDINECVSF DKCIFNKPLR DATA SEQUENCE YLRSGGVSVT DCYLAGITEV QKPEGRYNTY RGCSGVPSVN GIINVPVAVG DATA SEQUENCE ATSGSAAIPN PGNLTYRVRS LFGDPASSGD KVSVSGVTIN VTRPSPVGVA DATA SEQUENCE LPSXVEYLAI 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 113 F HA 0.000 nan 4.527 nan 0.000 0.279 113 F C 0.000 175.808 175.800 0.014 0.000 0.967 113 F CA 0.000 58.010 58.000 0.017 0.000 1.383 113 F CB 0.000 nan 39.000 nan 0.000 1.145 114 G N 0.867 109.674 108.800 0.011 0.000 2.404 114 G HA2 0.095 4.055 3.960 -0.001 0.000 0.214 114 G HA3 0.095 4.055 3.960 -0.001 0.000 0.214 114 G C -0.141 174.766 174.900 0.012 0.000 1.189 114 G CA 1.561 46.665 45.100 0.007 0.000 0.789 114 G HN 0.464 nan 8.290 nan 0.000 0.533 115 P HA -0.066 nan 4.420 nan 0.000 0.217 115 P C 1.033 178.360 177.300 0.046 0.000 1.148 115 P CA 1.540 64.656 63.100 0.028 0.000 0.828 115 P CB 0.049 31.765 31.700 0.027 0.000 0.783 116 D N -1.131 119.301 120.400 0.054 0.000 2.117 116 D HA -0.145 4.495 4.640 -0.001 0.000 0.198 116 D C 1.753 178.080 176.300 0.045 0.000 0.982 116 D CA 0.635 54.694 54.000 0.099 0.000 0.828 116 D CB -0.662 40.201 40.800 0.105 0.000 0.967 116 D HN -0.134 nan 8.370 nan 0.000 0.464 117 L N 0.316 121.535 121.223 -0.007 0.000 2.079 117 L HA -0.104 4.236 4.340 -0.001 0.000 0.210 117 L C 1.761 178.597 176.870 -0.057 0.000 1.081 117 L CA 1.346 56.150 54.840 -0.060 0.000 0.752 117 L CB -0.614 41.420 42.059 -0.042 0.000 0.896 117 L HN 0.143 nan 8.230 nan 0.000 0.433 118 I N -0.145 120.416 120.570 -0.015 0.000 2.226 118 I HA -0.247 3.923 4.170 -0.001 0.000 0.245 118 I C 2.525 178.645 176.117 0.006 0.000 1.100 118 I CA 1.173 62.470 61.300 -0.004 0.000 1.374 118 I CB -1.357 36.650 38.000 0.011 0.000 1.057 118 I HN 0.397 nan 8.210 nan 0.000 0.413 119 E N 0.095 120.322 120.200 0.045 0.000 2.106 119 E HA -0.227 4.122 4.350 -0.001 0.000 0.192 119 E C 2.164 178.791 176.600 0.045 0.000 0.984 119 E CA 0.890 57.358 56.400 0.115 0.000 0.806 119 E CB -0.149 29.706 29.700 0.257 0.000 0.750 119 E HN 0.589 nan 8.360 nan 0.000 0.458 120 Q N 0.512 120.192 119.800 -0.200 0.000 2.061 120 Q HA -0.162 4.178 4.340 -0.001 0.000 0.204 120 Q C 2.400 178.277 176.000 -0.204 0.000 0.984 120 Q CA 1.148 56.657 55.803 -0.489 0.000 0.846 120 Q CB -0.125 28.261 28.738 -0.586 0.000 0.902 120 Q HN 0.305 nan 8.270 nan 0.000 0.421 121 L N -0.144 121.005 121.223 -0.123 0.000 2.083 121 L HA -0.146 4.194 4.340 -0.001 0.000 0.209 121 L C 2.292 179.143 176.870 -0.032 0.000 1.083 121 L CA 0.909 55.709 54.840 -0.068 0.000 0.752 121 L CB -0.398 41.633 42.059 -0.048 0.000 0.899 121 L HN 0.190 nan 8.230 nan 0.000 0.433 122 A N -1.294 121.518 122.820 -0.013 0.000 2.167 122 A HA -0.143 4.177 4.320 -0.001 0.000 0.214 122 A C 1.379 178.977 177.584 0.024 0.000 1.151 122 A CA 0.250 52.293 52.037 0.010 0.000 0.735 122 A CB -0.304 18.709 19.000 0.023 0.000 0.802 122 A HN 0.531 nan 8.150 nan 0.000 0.467 123 Q N 0.190 120.006 119.800 0.027 0.000 2.435 123 Q HA -0.198 4.141 4.340 -0.001 0.000 0.312 123 Q C 0.021 176.077 176.000 0.092 0.000 1.333 123 Q CA 0.441 56.283 55.803 0.065 0.000 0.883 123 Q CB -1.508 27.255 28.738 0.042 0.000 1.170 123 Q HN 0.880 nan 8.270 nan 0.000 0.443 124 S N -2.116 113.654 115.700 0.116 0.000 2.726 124 S HA 0.924 5.394 4.470 -0.001 0.000 0.308 124 S C 0.930 175.594 174.600 0.108 0.000 1.115 124 S CA -0.072 58.182 58.200 0.090 0.000 0.965 124 S CB 2.078 65.316 63.200 0.063 0.000 1.145 124 S HN 1.082 nan 8.310 nan 0.000 0.532 125 G N 2.060 110.888 108.800 0.046 0.000 2.591 125 G HA2 -0.390 3.569 3.960 -0.001 0.000 0.298 125 G HA3 -0.390 3.569 3.960 -0.001 0.000 0.298 125 G C 0.615 175.481 174.900 -0.057 0.000 1.195 125 G CA 0.676 45.776 45.100 0.001 0.000 0.989 125 G HN 1.340 nan 8.290 nan 0.000 0.551 126 K N 0.084 120.375 120.400 -0.182 0.000 2.504 126 K HA 0.147 4.467 4.320 -0.001 0.000 0.195 126 K C 1.642 178.025 176.600 -0.362 0.000 1.036 126 K CA 1.769 57.874 56.287 -0.304 0.000 0.984 126 K CB -0.007 32.239 32.500 -0.423 0.000 0.788 126 K HN 0.552 nan 8.250 nan 0.000 0.488 127 Y N 1.823 122.119 120.300 -0.006 0.000 2.468 127 Y HA 0.080 4.630 4.550 -0.001 0.000 0.268 127 Y C 2.327 178.222 175.900 -0.009 0.000 1.177 127 Y CA 0.088 58.183 58.100 -0.009 0.000 1.265 127 Y CB 0.411 38.865 38.460 -0.009 0.000 1.103 127 Y HN 0.252 nan 8.280 nan 0.000 0.522 128 S N -0.509 115.245 115.700 0.090 0.000 2.423 128 S HA -0.151 4.318 4.470 -0.001 0.000 0.231 128 S C 1.382 176.009 174.600 0.044 0.000 1.014 128 S CA 0.987 59.224 58.200 0.061 0.000 0.965 128 S CB -0.065 63.153 63.200 0.031 0.000 0.785 128 S HN 0.347 nan 8.310 nan 0.000 0.495 129 Q N 0.945 120.767 119.800 0.036 0.000 2.220 129 Q HA 0.320 4.660 4.340 -0.001 0.000 0.205 129 Q C -0.677 175.342 176.000 0.032 0.000 0.865 129 Q CA 0.070 55.889 55.803 0.026 0.000 0.960 129 Q CB -0.013 28.733 28.738 0.013 0.000 1.097 129 Q HN 0.528 nan 8.270 nan 0.000 0.493 130 D N 0.852 121.286 120.400 0.056 0.000 2.467 130 D HA 0.128 4.767 4.640 -0.001 0.000 0.220 130 D C 0.181 176.490 176.300 0.015 0.000 1.103 130 D CA -0.163 53.869 54.000 0.053 0.000 0.886 130 D CB 0.074 40.949 40.800 0.126 0.000 1.025 130 D HN 0.045 nan 8.370 nan 0.000 0.514 131 N N 1.164 119.849 118.700 -0.024 0.000 2.571 131 N HA -0.086 4.653 4.740 -0.001 0.000 0.189 131 N C 1.199 176.598 175.510 -0.185 0.000 1.154 131 N CA 0.396 53.391 53.050 -0.090 0.000 0.907 131 N CB 0.393 38.825 38.487 -0.092 0.000 0.977 131 N HN 0.432 nan 8.380 nan 0.000 0.449 132 T N -2.453 112.034 114.554 -0.112 0.000 3.113 132 T HA 0.111 4.461 4.350 -0.001 0.000 0.256 132 T C 0.914 175.553 174.700 -0.101 0.000 1.131 132 T CA 0.313 62.343 62.100 -0.116 0.000 1.074 132 T CB 0.287 69.113 68.868 -0.070 0.000 0.944 132 T HN -0.135 nan 8.240 nan 0.000 0.516 133 K N 0.883 121.234 120.400 -0.081 0.000 2.632 133 K HA 0.671 4.991 4.320 -0.001 0.000 0.267 133 K C 1.517 178.081 176.600 -0.061 0.000 1.028 133 K CA 0.112 56.342 56.287 -0.095 0.000 1.045 133 K CB -0.168 32.267 32.500 -0.108 0.000 1.400 133 K HN 0.287 nan 8.250 nan 0.000 0.522 134 G N 1.546 110.313 108.800 -0.055 0.000 2.583 134 G HA2 -0.377 3.583 3.960 -0.001 0.000 0.292 134 G HA3 -0.377 3.583 3.960 -0.001 0.000 0.292 134 G C 0.499 175.396 174.900 -0.005 0.000 1.203 134 G CA 1.002 46.092 45.100 -0.017 0.000 0.987 134 G HN 0.688 nan 8.290 nan 0.000 0.554 135 D N 1.572 121.992 120.400 0.033 0.000 2.350 135 D HA 0.415 5.055 4.640 -0.001 0.000 0.216 135 D C 1.592 177.929 176.300 0.063 0.000 0.968 135 D CA 1.656 55.684 54.000 0.047 0.000 0.894 135 D CB -0.714 40.122 40.800 0.060 0.000 0.909 135 D HN 1.172 nan 8.370 nan 0.000 0.520 139 G N 4.760 113.559 108.800 -0.001 0.000 2.403 139 G HA2 0.540 4.500 3.960 -0.001 0.000 0.259 139 G HA3 0.540 4.500 3.960 -0.001 0.000 0.259 139 G C -0.570 174.331 174.900 0.002 0.000 1.244 139 G CA -0.223 44.877 45.100 0.000 0.000 0.849 139 G HN 0.319 nan 8.290 nan 0.000 0.532 140 V N 2.451 122.368 119.914 0.004 0.000 2.483 140 V HA 0.556 4.675 4.120 -0.001 0.000 0.297 140 V C -0.068 176.027 176.094 0.001 0.000 1.027 140 V CA -0.813 61.489 62.300 0.003 0.000 0.855 140 V CB 1.771 33.596 31.823 0.005 0.000 0.995 140 V HN 0.806 nan 8.190 nan 0.000 0.424 141 K N 3.768 124.167 120.400 -0.001 0.000 2.716 141 K HA 0.361 4.680 4.320 -0.001 0.000 0.249 141 K C -0.582 176.017 176.600 -0.002 0.000 1.004 141 K CA -0.648 55.638 56.287 -0.001 0.000 0.968 141 K CB 1.262 33.761 32.500 -0.001 0.000 1.214 141 K HN 0.623 nan 8.250 nan 0.000 0.476 142 Q N 3.575 123.373 119.800 -0.003 0.000 2.315 142 Q HA 0.029 4.369 4.340 -0.001 0.000 0.289 142 Q C -2.009 173.989 176.000 -0.004 0.000 1.044 142 Q CA -1.008 54.793 55.803 -0.004 0.000 0.920 142 Q CB 0.513 29.248 28.738 -0.005 0.000 1.214 142 Q HN 0.466 nan 8.270 nan 0.000 0.392 143 P HA 0.185 nan 4.420 nan 0.000 0.226 143 P C -0.725 176.573 177.300 -0.004 0.000 1.783 143 P CA 0.338 63.436 63.100 -0.003 0.000 0.980 143 P CB -0.064 31.634 31.700 -0.003 0.000 1.967 144 L N 1.477 122.698 121.223 -0.004 0.000 2.415 144 L HA 0.500 4.839 4.340 -0.001 0.000 0.256 144 L C -2.436 174.432 176.870 -0.004 0.000 1.010 144 L CA -2.802 52.035 54.840 -0.004 0.000 0.826 144 L CB 2.429 44.486 42.059 -0.005 0.000 1.405 144 L HN -0.157 nan 8.230 nan 0.000 0.410 145 P HA 0.106 nan 4.420 nan 0.000 0.263 145 P C -0.536 176.762 177.300 -0.003 0.000 1.195 145 P CA 0.173 63.271 63.100 -0.003 0.000 0.762 145 P CB 0.307 32.005 31.700 -0.003 0.000 0.799 146 K N -0.226 120.172 120.400 -0.003 0.000 3.446 146 K HA -0.165 4.155 4.320 -0.001 0.000 0.312 146 K C 0.447 177.046 176.600 -0.003 0.000 1.329 146 K CA 0.623 56.909 56.287 -0.003 0.000 0.935 146 K CB -2.055 30.443 32.500 -0.003 0.000 1.281 146 K HN 0.644 nan 8.250 nan 0.000 0.457 147 A N 1.043 123.861 122.820 -0.003 0.000 2.520 147 A HA 0.327 4.647 4.320 -0.001 0.000 0.235 147 A C 0.456 178.039 177.584 -0.002 0.000 1.065 147 A CA 0.250 52.285 52.037 -0.003 0.000 0.764 147 A CB 0.491 19.490 19.000 -0.003 0.000 1.002 147 A HN 0.107 nan 8.150 nan 0.000 0.502 148 V N 3.714 123.627 119.914 -0.002 0.000 2.448 148 V HA 0.279 4.398 4.120 -0.001 0.000 0.295 148 V C 0.090 176.184 176.094 0.000 0.000 1.025 148 V CA -0.678 61.621 62.300 -0.001 0.000 0.859 148 V CB 1.353 33.176 31.823 -0.000 0.000 0.988 148 V HN 0.895 nan 8.190 nan 0.000 0.431 149 L N 7.184 128.407 121.223 0.000 0.000 2.578 149 L HA 0.296 4.636 4.340 -0.001 0.000 0.279 149 L C 0.490 177.363 176.870 0.004 0.000 1.227 149 L CA 1.038 55.879 54.840 0.001 0.000 0.900 149 L CB -0.157 41.901 42.059 -0.000 0.000 1.144 149 L HN 0.908 nan 8.230 nan 0.000 0.496 150 R N 1.791 122.295 120.500 0.007 0.000 2.929 150 R HA 0.747 5.087 4.340 -0.001 0.000 0.259 150 R C -1.001 175.309 176.300 0.017 0.000 1.141 150 R CA -0.311 55.797 56.100 0.013 0.000 0.991 150 R CB 0.774 31.083 30.300 0.015 0.000 1.287 150 R HN 0.555 nan 8.270 nan 0.000 0.450 151 T N -2.742 111.831 114.554 0.033 0.000 2.949 151 T HA 0.136 4.485 4.350 -0.001 0.000 0.287 151 T C 0.758 175.488 174.700 0.049 0.000 1.034 151 T CA -0.651 61.473 62.100 0.041 0.000 1.018 151 T CB 1.842 70.743 68.868 0.056 0.000 1.135 151 T HN 0.644 nan 8.240 nan 0.000 0.532 152 Q N -0.420 119.408 119.800 0.046 0.000 2.224 152 Q HA -0.087 4.253 4.340 -0.001 0.000 0.203 152 Q C 1.900 177.928 176.000 0.047 0.000 0.970 152 Q CA 1.893 57.717 55.803 0.034 0.000 0.865 152 Q CB -0.779 27.974 28.738 0.024 0.000 0.922 152 Q HN 0.964 nan 8.270 nan 0.000 0.445 153 H N 0.045 119.107 119.070 -0.014 0.000 2.319 153 H HA -0.145 4.411 4.556 -0.001 0.000 0.297 153 H C 1.156 176.478 175.328 -0.010 0.000 1.097 153 H CA 2.321 58.361 56.048 -0.014 0.000 1.285 153 H CB 0.069 29.823 29.762 -0.015 0.000 1.368 153 H HN 0.357 nan 8.280 nan 0.000 0.495 154 D N -0.003 120.442 120.400 0.075 0.000 2.097 154 D HA -0.127 4.512 4.640 -0.001 0.000 0.197 154 D C 2.139 178.418 176.300 -0.036 0.000 0.984 154 D CA 1.065 55.077 54.000 0.019 0.000 0.826 154 D CB -0.233 40.602 40.800 0.058 0.000 0.973 154 D HN 0.225 nan 8.370 nan 0.000 0.460 155 K N 1.220 121.608 120.400 -0.020 0.000 2.063 155 K HA -0.098 4.222 4.320 -0.001 0.000 0.208 155 K C 1.554 178.125 176.600 -0.049 0.000 1.048 155 K CA 1.046 57.317 56.287 -0.027 0.000 0.928 155 K CB -0.299 32.192 32.500 -0.015 0.000 0.713 155 K HN -0.053 nan 8.250 nan 0.000 0.442 156 N N 0.928 119.585 118.700 -0.071 0.000 2.309 156 N HA -0.149 4.590 4.740 -0.001 0.000 0.182 156 N C 1.193 176.644 175.510 -0.098 0.000 1.018 156 N CA 1.306 54.307 53.050 -0.081 0.000 0.876 156 N CB -0.169 38.261 38.487 -0.096 0.000 0.972 156 N HN 0.525 nan 8.380 nan 0.000 0.434 157 K N 1.128 121.446 120.400 -0.137 0.000 2.486 157 K HA 0.036 4.356 4.320 -0.001 0.000 0.194 157 K C 0.865 177.436 176.600 -0.050 0.000 1.033 157 K CA 0.729 56.949 56.287 -0.112 0.000 1.004 157 K CB 0.072 32.480 32.500 -0.152 0.000 0.798 157 K HN 0.144 nan 8.250 nan 0.000 0.495 158 E N 0.529 120.703 120.200 -0.043 0.000 2.427 158 E HA -0.008 4.342 4.350 -0.001 0.000 0.196 158 E C -0.146 176.442 176.600 -0.020 0.000 1.028 158 E CA 0.370 56.754 56.400 -0.027 0.000 0.864 158 E CB 0.341 30.023 29.700 -0.030 0.000 0.813 158 E HN 0.440 nan 8.360 nan 0.000 0.514 159 A N 1.661 124.471 122.820 -0.016 0.000 2.410 159 A HA 0.397 4.717 4.320 -0.001 0.000 0.289 159 A C -0.732 176.885 177.584 0.055 0.000 1.200 159 A CA -0.619 51.420 52.037 0.002 0.000 0.751 159 A CB 0.619 19.600 19.000 -0.032 0.000 1.161 159 A HN 0.002 nan 8.150 nan 0.000 0.459 160 I N 2.947 123.576 120.570 0.099 0.000 2.321 160 I HA 0.448 4.617 4.170 -0.001 0.000 0.291 160 I C 0.665 176.918 176.117 0.227 0.000 0.998 160 I CA 0.033 61.428 61.300 0.158 0.000 1.227 160 I CB 1.100 39.196 38.000 0.159 0.000 1.368 160 I HN 0.696 nan 8.210 nan 0.000 0.466 161 S N 5.854 121.705 115.700 0.251 0.000 2.638 161 S HA 0.560 5.029 4.470 -0.001 0.000 0.302 161 S C 1.170 175.896 174.600 0.210 0.000 1.096 161 S CA -0.873 57.467 58.200 0.234 0.000 0.953 161 S CB 1.889 65.241 63.200 0.253 0.000 1.107 161 S HN 0.581 nan 8.310 nan 0.000 0.503 162 I N -0.559 120.039 120.570 0.047 0.000 2.423 162 I HA -0.059 4.111 4.170 -0.001 0.000 0.254 162 I C 1.498 177.668 176.117 0.089 0.000 1.151 162 I CA 1.300 62.604 61.300 0.007 0.000 1.421 162 I CB -0.643 37.218 38.000 -0.231 0.000 1.079 162 I HN 0.571 nan 8.210 nan 0.000 0.431 163 L N 1.039 122.282 121.223 0.034 0.000 2.610 163 L HA -0.009 4.331 4.340 -0.001 0.000 0.232 163 L C 1.205 178.088 176.870 0.022 0.000 1.149 163 L CA 0.409 55.266 54.840 0.029 0.000 0.872 163 L CB -0.785 41.292 42.059 0.030 0.000 0.992 163 L HN 0.254 nan 8.230 nan 0.000 0.447 164 D N -0.045 120.372 120.400 0.027 0.000 2.349 164 D HA -0.017 4.622 4.640 -0.001 0.000 0.224 164 D C 0.817 176.738 176.300 -0.633 0.000 1.029 164 D CA 0.913 54.748 54.000 -0.276 0.000 0.879 164 D CB 0.265 40.844 40.800 -0.369 0.000 0.906 164 D HN 0.306 nan 8.370 nan 0.000 0.528 165 F N -0.493 119.435 119.950 -0.036 0.000 2.764 165 F HA 0.325 4.852 4.527 -0.001 0.000 0.310 165 F C 1.291 177.068 175.800 -0.038 0.000 1.124 165 F CA -0.473 57.502 58.000 -0.041 0.000 1.252 165 F CB 0.849 39.812 39.000 -0.060 0.000 1.010 165 F HN -0.115 nan 8.300 nan 0.000 0.518 166 G N 1.254 110.087 108.800 0.056 0.000 2.248 166 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.252 166 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.252 166 G C -0.277 174.651 174.900 0.047 0.000 1.085 166 G CA -0.247 44.877 45.100 0.040 0.000 0.845 166 G HN 0.139 nan 8.290 nan 0.000 0.494 167 V N 1.625 121.565 119.914 0.044 0.000 2.614 167 V HA 0.395 4.514 4.120 -0.001 0.000 0.291 167 V C 0.869 177.007 176.094 0.073 0.000 1.049 167 V CA -0.411 61.915 62.300 0.043 0.000 1.038 167 V CB 1.350 33.166 31.823 -0.012 0.000 0.980 167 V HN 0.335 nan 8.190 nan 0.000 0.481 168 I N 3.906 124.530 120.570 0.089 0.000 2.330 168 I HA 0.271 4.441 4.170 -0.001 0.000 0.286 168 I C 0.068 176.259 176.117 0.122 0.000 1.025 168 I CA -0.413 60.941 61.300 0.089 0.000 1.197 168 I CB 0.990 39.029 38.000 0.065 0.000 1.358 168 I HN 0.566 nan 8.210 nan 0.000 0.467 169 D N 5.246 125.724 120.400 0.129 0.000 2.767 169 D HA 0.112 4.751 4.640 -0.001 0.000 0.241 169 D C 0.617 176.939 176.300 0.037 0.000 1.187 169 D CA -0.076 53.997 54.000 0.123 0.000 0.999 169 D CB 0.271 41.167 40.800 0.161 0.000 1.042 169 D HN 0.466 nan 8.370 nan 0.000 0.510 170 D N 0.221 120.642 120.400 0.035 0.000 2.431 170 D HA 0.161 4.801 4.640 -0.001 0.000 0.213 170 D C 1.491 177.792 176.300 0.002 0.000 1.130 170 D CA 0.132 54.141 54.000 0.015 0.000 0.834 170 D CB -0.110 40.705 40.800 0.025 0.000 0.985 170 D HN 0.271 nan 8.370 nan 0.000 0.504 171 G N -0.462 108.333 108.800 -0.008 0.000 2.162 171 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.260 171 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.260 171 G C 0.729 175.632 174.900 0.004 0.000 0.976 171 G CA 0.587 45.676 45.100 -0.017 0.000 0.655 171 G HN 0.433 nan 8.290 nan 0.000 0.533 172 V N -1.043 118.883 119.914 0.021 0.000 3.219 172 V HA 0.182 4.301 4.120 -0.001 0.000 0.214 172 V C 1.541 177.657 176.094 0.038 0.000 1.433 172 V CA 1.198 63.513 62.300 0.025 0.000 1.301 172 V CB 0.074 31.909 31.823 0.019 0.000 1.160 172 V HN 0.305 nan 8.190 nan 0.000 0.505 173 T N 2.517 117.099 114.554 0.045 0.000 2.934 173 T HA 0.036 4.386 4.350 -0.001 0.000 0.306 173 T C -0.180 174.562 174.700 0.071 0.000 1.042 173 T CA 0.614 62.746 62.100 0.055 0.000 1.145 173 T CB 0.274 69.176 68.868 0.057 0.000 0.982 173 T HN 0.325 nan 8.240 nan 0.000 0.544 174 D N 2.670 123.113 120.400 0.071 0.000 2.344 174 D HA 0.020 4.660 4.640 -0.001 0.000 0.253 174 D C 0.553 176.918 176.300 0.108 0.000 1.255 174 D CA -0.167 53.888 54.000 0.091 0.000 0.894 174 D CB 0.156 41.005 40.800 0.083 0.000 1.067 174 D HN 0.310 nan 8.370 nan 0.000 0.492 175 N N 3.388 122.156 118.700 0.114 0.000 2.276 175 N HA -0.090 4.650 4.740 -0.001 0.000 0.212 175 N C 1.057 176.603 175.510 0.061 0.000 1.127 175 N CA -0.158 52.942 53.050 0.083 0.000 0.834 175 N CB 0.055 38.591 38.487 0.082 0.000 1.014 175 N HN 0.560 nan 8.380 nan 0.000 0.491 176 Y N 2.129 122.437 120.300 0.013 0.000 2.081 176 Y HA -0.338 4.212 4.550 -0.001 0.000 0.280 176 Y C 2.548 178.441 175.900 -0.011 0.000 1.163 176 Y CA 2.100 60.199 58.100 -0.001 0.000 1.135 176 Y CB -0.101 38.360 38.460 0.002 0.000 0.970 176 Y HN 0.017 nan 8.280 nan 0.000 0.498 177 Q N 0.525 120.183 119.800 -0.237 0.000 2.079 177 Q HA -0.053 4.287 4.340 -0.001 0.000 0.200 177 Q C 2.385 178.226 176.000 -0.264 0.000 0.974 177 Q CA 1.918 57.514 55.803 -0.346 0.000 0.840 177 Q CB -0.726 27.994 28.738 -0.030 0.000 0.898 177 Q HN 0.580 nan 8.270 nan 0.000 0.430 178 A N 0.034 122.778 122.820 -0.128 0.000 1.902 178 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 178 A C 2.095 179.591 177.584 -0.146 0.000 1.181 178 A CA 1.570 53.568 52.037 -0.064 0.000 0.623 178 A CB -0.670 18.328 19.000 -0.003 0.000 0.818 178 A HN 0.465 nan 8.150 nan 0.000 0.443 179 I N -1.287 119.160 120.570 -0.206 0.000 2.406 179 I HA -0.190 3.980 4.170 -0.001 0.000 0.249 179 I C 2.670 178.603 176.117 -0.307 0.000 1.122 179 I CA 1.417 62.577 61.300 -0.234 0.000 1.431 179 I CB -0.189 37.701 38.000 -0.183 0.000 1.087 179 I HN 0.363 nan 8.210 nan 0.000 0.424 180 Q N 1.320 120.873 119.800 -0.411 0.000 2.124 180 Q HA -0.196 4.143 4.340 -0.001 0.000 0.202 180 Q C 1.857 177.650 176.000 -0.344 0.000 0.977 180 Q CA 1.738 57.294 55.803 -0.411 0.000 0.850 180 Q CB -0.110 28.230 28.738 -0.664 0.000 0.901 180 Q HN 0.378 nan 8.270 nan 0.000 0.429 181 N N -0.040 118.457 118.700 -0.337 0.000 2.120 181 N HA -0.126 4.614 4.740 -0.001 0.000 0.188 181 N C 1.453 176.571 175.510 -0.653 0.000 1.024 181 N CA 1.510 54.372 53.050 -0.312 0.000 0.852 181 N CB -0.668 37.740 38.487 -0.132 0.000 1.003 181 N HN 0.395 nan 8.380 nan 0.000 0.424 182 A N 1.136 123.401 122.820 -0.925 0.000 1.883 182 A HA -0.090 4.230 4.320 -0.001 0.000 0.217 182 A C 2.344 179.512 177.584 -0.694 0.000 1.186 182 A CA 1.042 52.226 52.037 -1.421 0.000 0.624 182 A CB -0.759 17.783 19.000 -0.762 0.000 0.822 182 A HN 0.228 nan 8.150 nan 0.000 0.444 183 I N -0.062 120.261 120.570 -0.411 0.000 2.163 183 I HA -0.259 3.911 4.170 -0.001 0.000 0.243 183 I C 1.817 177.807 176.117 -0.212 0.000 1.085 183 I CA 1.640 62.795 61.300 -0.241 0.000 1.347 183 I CB -0.461 37.437 38.000 -0.171 0.000 1.044 183 I HN 0.242 nan 8.210 nan 0.000 0.408 184 D N 0.891 121.154 120.400 -0.229 0.000 2.178 184 D HA -0.124 4.515 4.640 -0.001 0.000 0.201 184 D C 2.206 178.422 176.300 -0.140 0.000 0.980 184 D CA 1.381 55.286 54.000 -0.158 0.000 0.842 184 D CB -0.148 40.570 40.800 -0.137 0.000 0.948 184 D HN 0.367 nan 8.370 nan 0.000 0.472 185 A N 0.425 123.118 122.820 -0.212 0.000 1.898 185 A HA -0.115 4.205 4.320 -0.001 0.000 0.216 185 A C 2.482 180.032 177.584 -0.057 0.000 1.181 185 A CA 1.082 53.057 52.037 -0.103 0.000 0.620 185 A CB -0.653 18.276 19.000 -0.118 0.000 0.819 185 A HN 0.146 nan 8.150 nan 0.000 0.442 186 V N -0.107 119.747 119.914 -0.101 0.000 2.358 186 V HA -0.198 3.922 4.120 -0.001 0.000 0.246 186 V C 2.991 179.051 176.094 -0.058 0.000 1.047 186 V CA 1.736 64.001 62.300 -0.057 0.000 1.035 186 V CB -1.157 30.627 31.823 -0.065 0.000 0.658 186 V HN 0.592 nan 8.190 nan 0.000 0.452 187 A N 0.730 123.506 122.820 -0.072 0.000 2.070 187 A HA -0.182 4.137 4.320 -0.001 0.000 0.220 187 A C 2.462 180.019 177.584 -0.045 0.000 1.159 187 A CA 1.892 53.892 52.037 -0.060 0.000 0.656 187 A CB -0.608 18.355 19.000 -0.063 0.000 0.800 187 A HN 0.695 nan 8.150 nan 0.000 0.453 188 S N -0.628 115.049 115.700 -0.037 0.000 2.481 188 S HA 0.144 4.613 4.470 -0.001 0.000 0.231 188 S C 0.615 175.205 174.600 -0.016 0.000 0.996 188 S CA -0.068 58.119 58.200 -0.021 0.000 0.942 188 S CB -0.672 62.523 63.200 -0.008 0.000 0.768 188 S HN 0.389 nan 8.310 nan 0.000 0.520 189 L N 2.162 123.374 121.223 -0.019 0.000 2.397 189 L HA 0.296 4.635 4.340 -0.001 0.000 0.271 189 L C -1.088 175.766 176.870 -0.026 0.000 1.148 189 L CA -1.957 52.872 54.840 -0.017 0.000 0.825 189 L CB 0.310 42.360 42.059 -0.016 0.000 1.117 189 L HN 0.004 nan 8.230 nan 0.000 0.456 190 P HA -0.095 nan 4.420 nan 0.000 0.219 190 P C 0.750 178.027 177.300 -0.038 0.000 1.146 190 P CA 0.974 64.058 63.100 -0.028 0.000 0.808 190 P CB 0.342 32.028 31.700 -0.023 0.000 0.779 191 S N -1.526 114.149 115.700 -0.041 0.000 2.663 191 S HA 0.472 4.942 4.470 -0.001 0.000 0.243 191 S C 0.988 175.547 174.600 -0.067 0.000 1.009 191 S CA 0.128 58.295 58.200 -0.055 0.000 0.988 191 S CB 0.326 63.497 63.200 -0.049 0.000 0.896 191 S HN 0.467 nan 8.310 nan 0.000 0.502 192 G N 1.119 109.882 108.800 -0.062 0.000 2.552 192 G HA2 0.179 4.138 3.960 -0.001 0.000 0.265 192 G HA3 0.179 4.138 3.960 -0.001 0.000 0.265 192 G C 0.130 174.990 174.900 -0.067 0.000 1.234 192 G CA -0.263 44.794 45.100 -0.073 0.000 0.944 192 G HN 1.358 nan 8.290 nan 0.000 0.568 193 G N -1.660 107.087 108.800 -0.089 0.000 2.333 193 G HA2 0.573 4.533 3.960 -0.001 0.000 0.288 193 G HA3 0.573 4.533 3.960 -0.001 0.000 0.288 193 G C -1.097 173.749 174.900 -0.090 0.000 1.286 193 G CA 0.622 45.683 45.100 -0.065 0.000 0.865 193 G HN 1.264 nan 8.290 nan 0.000 0.506 194 E N -0.488 119.696 120.200 -0.027 0.000 2.175 194 E HA 0.566 4.916 4.350 -0.001 0.000 0.278 194 E C -1.133 175.498 176.600 0.052 0.000 0.969 194 E CA -0.755 55.648 56.400 0.005 0.000 0.796 194 E CB 1.563 31.333 29.700 0.116 0.000 1.104 194 E HN 0.468 nan 8.360 nan 0.000 0.395 195 L N 5.855 127.110 121.223 0.054 0.000 2.275 195 L HA 0.404 4.743 4.340 -0.001 0.000 0.288 195 L C -1.324 175.666 176.870 0.199 0.000 1.046 195 L CA -0.397 54.497 54.840 0.090 0.000 0.805 195 L CB 0.777 42.841 42.059 0.009 0.000 1.193 195 L HN 0.498 nan 8.230 nan 0.000 0.426 196 F N 6.232 126.210 119.950 0.047 0.000 2.404 196 F HA 0.539 5.066 4.527 -0.001 0.000 0.345 196 F C -0.232 175.592 175.800 0.040 0.000 1.110 196 F CA -0.989 57.048 58.000 0.061 0.000 1.130 196 F CB 0.733 39.772 39.000 0.065 0.000 1.129 196 F HN 0.336 nan 8.300 nan 0.000 0.500 197 I N 8.505 128.764 120.570 -0.519 0.000 2.337 197 I HA 0.265 4.434 4.170 -0.001 0.000 0.285 197 I C -2.332 173.208 176.117 -0.962 0.000 1.041 197 I CA -2.011 58.956 61.300 -0.554 0.000 1.199 197 I CB 1.020 38.894 38.000 -0.210 0.000 1.370 197 I HN 0.411 nan 8.210 nan 0.000 0.470 198 P HA 0.043 nan 4.420 nan 0.000 0.270 198 P C -0.201 177.055 177.300 -0.074 0.000 1.223 198 P CA -0.323 62.453 63.100 -0.541 0.000 0.785 198 P CB 0.603 32.228 31.700 -0.126 0.000 0.923 199 A N 2.032 124.858 122.820 0.010 0.000 2.566 199 A HA 0.160 4.479 4.320 -0.001 0.000 0.245 199 A C 0.862 178.461 177.584 0.025 0.000 1.056 199 A CA 0.429 52.489 52.037 0.039 0.000 0.757 199 A CB -0.762 18.266 19.000 0.046 0.000 0.979 199 A HN 0.495 nan 8.150 nan 0.000 0.508 200 S N 2.001 117.619 115.700 -0.137 0.000 2.576 200 S HA 0.077 4.546 4.470 -0.001 0.000 0.276 200 S C 0.983 175.467 174.600 -0.193 0.000 1.339 200 S CA -0.556 57.393 58.200 -0.418 0.000 1.039 200 S CB 0.114 62.775 63.200 -0.899 0.000 0.902 200 S HN 0.684 nan 8.310 nan 0.000 0.516 201 N N 2.394 121.004 118.700 -0.150 0.000 2.383 201 N HA 0.074 4.813 4.740 -0.001 0.000 0.192 201 N C -0.479 174.976 175.510 -0.092 0.000 1.141 201 N CA 0.298 53.301 53.050 -0.078 0.000 0.851 201 N CB 0.168 38.635 38.487 -0.033 0.000 0.976 201 N HN 0.576 nan 8.380 nan 0.000 0.465 202 Q N -0.529 119.181 119.800 -0.149 0.000 2.337 202 Q HA 0.441 4.781 4.340 -0.001 0.000 0.266 202 Q C 0.510 176.442 176.000 -0.114 0.000 1.023 202 Q CA -0.485 55.246 55.803 -0.119 0.000 0.829 202 Q CB 1.890 30.549 28.738 -0.131 0.000 1.306 202 Q HN -0.013 nan 8.270 nan 0.000 0.449 203 A N 2.116 124.894 122.820 -0.070 0.000 1.978 203 A HA -0.154 4.165 4.320 -0.001 0.000 0.220 203 A C 1.617 179.167 177.584 -0.057 0.000 1.170 203 A CA 2.243 54.248 52.037 -0.054 0.000 0.636 203 A CB -0.549 18.431 19.000 -0.033 0.000 0.810 203 A HN 0.577 nan 8.150 nan 0.000 0.448 204 V N -3.715 116.162 119.914 -0.062 0.000 3.129 204 V HA 0.474 4.594 4.120 -0.001 0.000 0.259 204 V C 1.337 177.388 176.094 -0.072 0.000 1.116 204 V CA 0.611 62.881 62.300 -0.049 0.000 1.127 204 V CB -1.490 30.314 31.823 -0.032 0.000 0.742 204 V HN 1.749 nan 8.190 nan 0.000 0.474 205 G N -0.125 108.586 108.800 -0.150 0.000 2.615 205 G HA2 -0.225 3.735 3.960 -0.001 0.000 0.218 205 G HA3 -0.225 3.735 3.960 -0.001 0.000 0.218 205 G C -0.729 174.005 174.900 -0.277 0.000 1.339 205 G CA -0.137 44.810 45.100 -0.255 0.000 0.884 205 G HN 0.563 nan 8.290 nan 0.000 0.559 206 Y N 0.309 120.611 120.300 0.003 0.000 2.365 206 Y HA 0.515 5.065 4.550 -0.001 0.000 0.340 206 Y C 1.215 177.124 175.900 0.016 0.000 1.016 206 Y CA -0.883 57.221 58.100 0.007 0.000 1.196 206 Y CB 0.750 39.210 38.460 0.000 0.000 1.167 206 Y HN 0.373 nan 8.280 nan 0.000 0.509 207 I N 5.291 125.954 120.570 0.155 0.000 2.474 207 I HA 0.235 4.405 4.170 -0.001 0.000 0.287 207 I C 0.064 176.253 176.117 0.121 0.000 1.048 207 I CA -0.648 60.715 61.300 0.105 0.000 1.383 207 I CB 0.656 38.700 38.000 0.072 0.000 1.412 207 I HN 0.399 nan 8.210 nan 0.000 0.531 208 V N 2.308 122.285 119.914 0.105 0.000 2.709 208 V HA 0.835 4.954 4.120 -0.001 0.000 0.308 208 V C 0.424 176.567 176.094 0.081 0.000 1.062 208 V CA -0.525 61.850 62.300 0.126 0.000 0.901 208 V CB 1.407 33.322 31.823 0.153 0.000 1.003 208 V HN 0.808 nan 8.190 nan 0.000 0.425 209 G N 2.330 111.170 108.800 0.067 0.000 2.887 209 G HA2 0.433 4.393 3.960 -0.001 0.000 0.211 209 G HA3 0.433 4.393 3.960 -0.001 0.000 0.211 209 G C 0.399 175.242 174.900 -0.095 0.000 1.152 209 G CA 0.516 45.612 45.100 -0.007 0.000 0.769 209 G HN 0.816 nan 8.290 nan 0.000 0.541 210 S N -0.599 115.004 115.700 -0.163 0.000 2.569 210 S HA 0.474 4.943 4.470 -0.001 0.000 0.280 210 S C -0.402 174.127 174.600 -0.118 0.000 1.111 210 S CA -0.562 57.447 58.200 -0.318 0.000 0.887 210 S CB 1.714 64.390 63.200 -0.873 0.000 1.095 210 S HN 0.061 nan 8.310 nan 0.000 0.476 211 T N 2.662 117.169 114.554 -0.079 0.000 2.905 211 T HA 0.123 4.472 4.350 -0.001 0.000 0.299 211 T C -0.056 174.738 174.700 0.158 0.000 1.024 211 T CA 0.384 62.500 62.100 0.026 0.000 1.151 211 T CB -0.389 68.479 68.868 0.000 0.000 0.987 211 T HN 0.308 nan 8.240 nan 0.000 0.535 212 L N 4.037 125.352 121.223 0.152 0.000 2.265 212 L HA 0.415 4.754 4.340 -0.001 0.000 0.288 212 L C -0.040 176.871 176.870 0.069 0.000 1.058 212 L CA -0.854 54.071 54.840 0.141 0.000 0.809 212 L CB 0.855 42.958 42.059 0.073 0.000 1.179 212 L HN 0.421 nan 8.230 nan 0.000 0.429 213 L N 5.557 126.815 121.223 0.058 0.000 2.275 213 L HA 0.433 4.773 4.340 -0.001 0.000 0.288 213 L C -0.394 176.475 176.870 -0.001 0.000 1.046 213 L CA -0.069 54.782 54.840 0.019 0.000 0.805 213 L CB 0.889 42.956 42.059 0.013 0.000 1.193 213 L HN 0.313 nan 8.230 nan 0.000 0.426 214 I N 7.587 128.163 120.570 0.010 0.000 2.307 214 I HA 0.356 4.526 4.170 -0.001 0.000 0.287 214 I C -2.080 174.057 176.117 0.033 0.000 1.054 214 I CA -2.518 58.803 61.300 0.036 0.000 1.218 214 I CB 0.408 38.470 38.000 0.103 0.000 1.398 214 I HN 0.439 nan 8.210 nan 0.000 0.475 215 P HA 0.152 nan 4.420 nan 0.000 0.273 215 P C 0.513 177.814 177.300 0.002 0.000 1.250 215 P CA -0.294 62.787 63.100 -0.032 0.000 0.793 215 P CB 0.598 32.267 31.700 -0.052 0.000 1.011 216 G N -0.165 108.624 108.800 -0.019 0.000 2.257 216 G HA2 0.239 4.199 3.960 -0.001 0.000 0.235 216 G HA3 0.239 4.199 3.960 -0.001 0.000 0.235 216 G C 1.087 175.959 174.900 -0.047 0.000 1.225 216 G CA 0.377 45.470 45.100 -0.012 0.000 0.878 216 G HN 0.896 nan 8.290 nan 0.000 0.505 217 G N 0.127 108.875 108.800 -0.087 0.000 2.205 217 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.261 217 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.261 217 G C 0.407 175.213 174.900 -0.157 0.000 0.980 217 G CA 0.418 45.437 45.100 -0.134 0.000 0.632 217 G HN 1.391 nan 8.290 nan 0.000 0.533 218 V N 2.342 122.190 119.914 -0.110 0.000 2.432 218 V HA 0.468 4.588 4.120 -0.001 0.000 0.271 218 V C -0.035 175.966 176.094 -0.154 0.000 1.046 218 V CA -0.835 61.404 62.300 -0.103 0.000 0.945 218 V CB 1.327 33.126 31.823 -0.039 0.000 0.992 218 V HN 0.366 nan 8.190 nan 0.000 0.471 219 N N 5.024 123.554 118.700 -0.283 0.000 2.430 219 N HA 0.672 5.412 4.740 -0.001 0.000 0.298 219 N C -0.796 174.578 175.510 -0.226 0.000 1.130 219 N CA -0.473 52.281 53.050 -0.493 0.000 0.894 219 N CB 2.511 40.253 38.487 -1.243 0.000 1.209 219 N HN 0.477 nan 8.380 nan 0.000 0.503 220 I N 0.425 120.965 120.570 -0.050 0.000 2.545 220 I HA 0.443 4.613 4.170 -0.001 0.000 0.292 220 I C -0.052 176.258 176.117 0.322 0.000 1.040 220 I CA -0.742 60.647 61.300 0.149 0.000 1.068 220 I CB 2.497 40.591 38.000 0.157 0.000 1.251 220 I HN 0.215 nan 8.210 nan 0.000 0.424 221 R N 3.391 124.100 120.500 0.348 0.000 2.686 221 R HA 0.800 5.140 4.340 -0.001 0.000 0.283 221 R C -0.789 175.741 176.300 0.383 0.000 0.978 221 R CA -0.409 55.937 56.100 0.409 0.000 0.897 221 R CB 2.401 32.970 30.300 0.447 0.000 1.192 221 R HN 0.879 nan 8.270 nan 0.000 0.457 222 G N 0.287 109.270 108.800 0.305 0.000 3.176 222 G HA2 0.406 4.366 3.960 -0.001 0.000 0.272 222 G HA3 0.406 4.366 3.960 -0.001 0.000 0.272 222 G C -0.361 174.710 174.900 0.285 0.000 1.349 222 G CA -0.207 45.013 45.100 0.199 0.000 0.953 222 G HN 0.538 nan 8.290 nan 0.000 0.559 223 V N -2.703 117.328 119.914 0.196 0.000 3.070 223 V HA 0.676 4.795 4.120 -0.001 0.000 0.345 223 V C 0.879 177.048 176.094 0.126 0.000 1.403 223 V CA 0.759 63.173 62.300 0.190 0.000 1.155 223 V CB -0.579 31.371 31.823 0.211 0.000 1.140 223 V HN 2.303 nan 8.190 nan 0.000 0.505 224 G N 2.400 111.271 108.800 0.118 0.000 2.418 224 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.206 224 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.206 224 G C 0.531 175.481 174.900 0.083 0.000 1.202 224 G CA 0.137 45.295 45.100 0.097 0.000 1.061 224 G HN 0.793 nan 8.290 nan 0.000 0.563 225 K N 0.334 120.774 120.400 0.065 0.000 2.283 225 K HA 0.356 4.675 4.320 -0.001 0.000 0.202 225 K C 2.371 178.992 176.600 0.035 0.000 1.048 225 K CA 2.114 58.432 56.287 0.052 0.000 0.948 225 K CB -0.168 32.356 32.500 0.040 0.000 0.742 225 K HN 1.177 nan 8.250 nan 0.000 0.458 226 A N 1.196 124.034 122.820 0.031 0.000 2.066 226 A HA 0.019 4.339 4.320 -0.001 0.000 0.218 226 A C 1.140 178.731 177.584 0.013 0.000 1.157 226 A CA 0.791 52.831 52.037 0.004 0.000 0.670 226 A CB -0.148 18.856 19.000 0.008 0.000 0.804 226 A HN 0.280 nan 8.150 nan 0.000 0.453 227 S N 0.836 116.570 115.700 0.057 0.000 4.087 227 S HA 0.258 4.727 4.470 -0.001 0.000 0.213 227 S C -0.087 174.586 174.600 0.122 0.000 1.415 227 S CA -0.208 58.050 58.200 0.097 0.000 0.893 227 S CB -0.329 62.906 63.200 0.059 0.000 1.529 227 S HN 0.618 nan 8.310 nan 0.000 0.457 228 Q N 2.793 122.670 119.800 0.129 0.000 2.331 228 Q HA 0.510 4.850 4.340 -0.001 0.000 0.267 228 Q C -1.426 174.672 176.000 0.163 0.000 1.006 228 Q CA -0.673 55.188 55.803 0.096 0.000 0.818 228 Q CB 0.819 29.567 28.738 0.017 0.000 1.276 228 Q HN 0.475 nan 8.270 nan 0.000 0.450 229 L N 4.210 125.510 121.223 0.128 0.000 2.280 229 L HA 0.594 4.933 4.340 -0.001 0.000 0.287 229 L C -0.213 176.704 176.870 0.078 0.000 1.023 229 L CA -0.522 54.394 54.840 0.127 0.000 0.819 229 L CB 1.477 43.592 42.059 0.093 0.000 1.212 229 L HN 0.515 nan 8.230 nan 0.000 0.420 230 R N 2.886 123.432 120.500 0.077 0.000 2.494 230 R HA 0.705 5.045 4.340 -0.001 0.000 0.305 230 R C -0.552 175.777 176.300 0.048 0.000 0.959 230 R CA -0.539 55.589 56.100 0.047 0.000 0.864 230 R CB 1.752 32.071 30.300 0.032 0.000 1.159 230 R HN 0.716 nan 8.270 nan 0.000 0.446 231 A N 4.578 127.418 122.820 0.033 0.000 2.450 231 A HA 0.183 4.503 4.320 -0.001 0.000 0.255 231 A C -0.079 177.520 177.584 0.025 0.000 1.096 231 A CA -0.169 51.884 52.037 0.028 0.000 0.778 231 A CB 0.347 19.357 19.000 0.016 0.000 1.031 231 A HN 0.728 nan 8.150 nan 0.000 0.494 232 K N 1.539 121.953 120.400 0.024 0.000 2.276 232 K HA 0.130 4.449 4.320 -0.001 0.000 0.259 232 K C 0.874 177.480 176.600 0.010 0.000 1.001 232 K CA 0.391 56.688 56.287 0.018 0.000 0.927 232 K CB 0.490 33.000 32.500 0.016 0.000 0.969 232 K HN 0.940 nan 8.250 nan 0.000 0.490 233 S N 0.607 116.312 115.700 0.008 0.000 2.552 233 S HA 0.130 4.600 4.470 -0.001 0.000 0.289 233 S C 1.047 175.646 174.600 -0.001 0.000 1.304 233 S CA 0.366 58.569 58.200 0.005 0.000 1.063 233 S CB 0.459 63.661 63.200 0.003 0.000 0.848 233 S HN 0.891 nan 8.310 nan 0.000 0.499 234 G N 2.136 110.934 108.800 -0.003 0.000 2.199 234 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.254 234 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.254 234 G C 0.043 174.932 174.900 -0.018 0.000 0.982 234 G CA 0.120 45.215 45.100 -0.010 0.000 0.632 234 G HN 1.211 nan 8.290 nan 0.000 0.529 235 L N 2.568 123.782 121.223 -0.016 0.000 2.540 235 L HA 0.525 4.864 4.340 -0.001 0.000 0.276 235 L C 1.069 177.926 176.870 -0.021 0.000 1.212 235 L CA 0.784 55.609 54.840 -0.026 0.000 0.893 235 L CB 0.611 42.659 42.059 -0.017 0.000 1.138 235 L HN 0.461 nan 8.230 nan 0.000 0.491 236 T N 1.678 116.214 114.554 -0.031 0.000 2.940 236 T HA 0.808 5.157 4.350 -0.001 0.000 0.288 236 T C 0.536 175.222 174.700 -0.024 0.000 1.033 236 T CA -0.099 61.987 62.100 -0.022 0.000 1.033 236 T CB 1.726 70.580 68.868 -0.023 0.000 1.079 236 T HN 1.217 nan 8.240 nan 0.000 0.496 237 G N 1.792 110.582 108.800 -0.015 0.000 2.523 237 G HA2 -0.102 3.858 3.960 -0.001 0.000 0.271 237 G HA3 -0.102 3.858 3.960 -0.001 0.000 0.271 237 G C 0.158 175.047 174.900 -0.018 0.000 1.146 237 G CA 0.433 45.525 45.100 -0.014 0.000 0.961 237 G HN 2.083 nan 8.290 nan 0.000 0.549 238 S N -1.061 114.626 115.700 -0.021 0.000 2.689 238 S HA 0.741 5.210 4.470 -0.001 0.000 0.306 238 S C 1.043 175.632 174.600 -0.020 0.000 1.104 238 S CA 0.233 58.416 58.200 -0.029 0.000 0.973 238 S CB 2.015 65.192 63.200 -0.038 0.000 1.121 238 S HN 1.359 nan 8.310 nan 0.000 0.523 239 V N 0.295 120.195 119.914 -0.024 0.000 2.346 239 V HA 0.206 4.326 4.120 -0.001 0.000 0.244 239 V C 0.553 176.651 176.094 0.008 0.000 1.037 239 V CA 1.078 63.376 62.300 -0.003 0.000 1.029 239 V CB -0.682 31.138 31.823 -0.006 0.000 0.663 239 V HN 0.662 nan 8.190 nan 0.000 0.454 240 L N 0.504 121.717 121.223 -0.017 0.000 2.385 240 L HA 0.560 4.900 4.340 -0.001 0.000 0.273 240 L C -0.320 176.532 176.870 -0.030 0.000 0.990 240 L CA -0.415 54.418 54.840 -0.012 0.000 0.821 240 L CB 2.179 44.228 42.059 -0.017 0.000 1.279 240 L HN 0.140 nan 8.230 nan 0.000 0.412 241 R N 4.323 124.815 120.500 -0.015 0.000 2.451 241 R HA 0.549 4.888 4.340 -0.001 0.000 0.307 241 R C -1.450 174.836 176.300 -0.023 0.000 0.965 241 R CA -0.598 55.490 56.100 -0.021 0.000 0.865 241 R CB 1.104 31.401 30.300 -0.004 0.000 1.174 241 R HN 0.575 nan 8.270 nan 0.000 0.455 242 L N 3.158 124.350 121.223 -0.051 0.000 2.313 242 L HA 0.268 4.607 4.340 -0.001 0.000 0.282 242 L C 0.595 177.468 176.870 0.006 0.000 1.092 242 L CA -0.326 54.488 54.840 -0.044 0.000 0.831 242 L CB 1.466 43.398 42.059 -0.213 0.000 1.159 242 L HN 0.592 nan 8.230 nan 0.000 0.442 243 S N 2.792 118.497 115.700 0.009 0.000 2.580 243 S HA 0.243 4.713 4.470 -0.001 0.000 0.274 243 S C -0.225 174.377 174.600 0.003 0.000 1.329 243 S CA -0.668 57.469 58.200 -0.106 0.000 1.036 243 S CB 0.324 63.386 63.200 -0.230 0.000 0.919 243 S HN 0.324 nan 8.310 nan 0.000 0.515 244 Y N 2.470 122.829 120.300 0.097 0.000 2.511 244 Y HA 0.491 5.041 4.550 -0.001 0.000 0.347 244 Y C 0.321 176.267 175.900 0.076 0.000 1.257 244 Y CA -0.575 57.581 58.100 0.095 0.000 1.469 244 Y CB 0.205 38.689 38.460 0.040 0.000 1.353 244 Y HN 0.690 nan 8.280 nan 0.000 0.617 245 D N -1.005 119.567 120.400 0.287 0.000 2.759 245 D HA 0.257 4.897 4.640 -0.001 0.000 0.321 245 D C -0.698 175.659 176.300 0.095 0.000 1.267 245 D CA -0.766 53.340 54.000 0.176 0.000 0.933 245 D CB 0.945 41.781 40.800 0.061 0.000 1.431 245 D HN 0.420 nan 8.370 nan 0.000 0.504 246 S N -0.860 114.845 115.700 0.009 0.000 2.577 246 S HA 0.176 4.646 4.470 -0.001 0.000 0.219 246 S C -0.014 174.494 174.600 -0.154 0.000 0.962 246 S CA -0.209 57.943 58.200 -0.081 0.000 0.921 246 S CB -0.163 62.995 63.200 -0.070 0.000 0.789 246 S HN 0.392 nan 8.310 nan 0.000 0.497 247 D N 1.215 121.532 120.400 -0.140 0.000 2.442 247 D HA 0.432 5.072 4.640 -0.001 0.000 0.254 247 D C 0.764 176.895 176.300 -0.282 0.000 1.069 247 D CA 0.003 53.884 54.000 -0.198 0.000 1.017 247 D CB 1.765 42.479 40.800 -0.143 0.000 1.172 247 D HN 0.161 nan 8.370 nan 0.000 0.561 248 T N -2.310 112.052 114.554 -0.320 0.000 3.144 248 T HA 0.327 4.677 4.350 -0.001 0.000 0.290 248 T C 0.555 175.211 174.700 -0.073 0.000 0.966 248 T CA -0.397 61.447 62.100 -0.426 0.000 0.907 248 T CB -0.573 67.794 68.868 -0.835 0.000 1.152 248 T HN 0.421 nan 8.240 nan 0.000 0.532 249 I N -2.843 117.665 120.570 -0.104 0.000 2.686 249 I HA 0.809 4.978 4.170 -0.001 0.000 0.295 249 I C 0.858 176.891 176.117 -0.140 0.000 1.114 249 I CA -0.817 60.440 61.300 -0.073 0.000 1.038 249 I CB 1.734 39.699 38.000 -0.059 0.000 1.238 249 I HN 0.169 nan 8.210 nan 0.000 0.420 250 G N 3.144 111.876 108.800 -0.114 0.000 2.179 250 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.260 250 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.260 250 G C 0.339 175.132 174.900 -0.179 0.000 0.977 250 G CA -0.310 44.731 45.100 -0.098 0.000 0.641 250 G HN 0.682 nan 8.290 nan 0.000 0.533 251 R N -0.189 120.041 120.500 -0.449 0.000 2.641 251 R HA 0.600 4.939 4.340 -0.001 0.000 0.269 251 R C 0.164 176.156 176.300 -0.513 0.000 1.074 251 R CA 0.212 55.786 56.100 -0.877 0.000 1.133 251 R CB 0.247 29.355 30.300 -1.986 0.000 1.029 251 R HN 0.854 nan 8.270 nan 0.000 0.488 252 Y N -2.252 117.806 120.300 -0.403 0.000 2.604 252 Y HA 0.538 5.087 4.550 -0.001 0.000 0.331 252 Y C -1.552 174.525 175.900 0.296 0.000 1.158 252 Y CA -1.252 56.845 58.100 -0.005 0.000 1.056 252 Y CB 1.125 39.572 38.460 -0.022 0.000 1.330 252 Y HN 0.309 nan 8.280 nan 0.000 0.457 253 L N 3.843 125.442 121.223 0.627 0.000 2.333 253 L HA 0.739 5.078 4.340 -0.001 0.000 0.280 253 L C -0.644 176.511 176.870 0.475 0.000 1.004 253 L CA -0.854 54.324 54.840 0.562 0.000 0.820 253 L CB 1.998 44.401 42.059 0.575 0.000 1.247 253 L HN 0.727 nan 8.230 nan 0.000 0.416 254 R N 3.629 124.378 120.500 0.415 0.000 2.532 254 R HA 0.372 4.711 4.340 -0.001 0.000 0.297 254 R C -0.649 175.793 176.300 0.238 0.000 0.984 254 R CA -0.913 55.352 56.100 0.275 0.000 0.884 254 R CB 1.553 31.949 30.300 0.160 0.000 1.182 254 R HN 0.647 nan 8.270 nan 0.000 0.442 255 N N 1.745 120.567 118.700 0.204 0.000 2.756 255 N HA -0.174 4.566 4.740 -0.001 0.000 0.248 255 N C -0.370 175.243 175.510 0.173 0.000 1.062 255 N CA 1.302 54.457 53.050 0.175 0.000 0.696 255 N CB -1.410 37.173 38.487 0.159 0.000 0.946 255 N HN 0.626 nan 8.380 nan 0.000 0.548 256 I N -3.530 117.149 120.570 0.183 0.000 3.002 256 I HA 0.684 4.854 4.170 -0.001 0.000 0.310 256 I C -0.057 176.145 176.117 0.141 0.000 1.087 256 I CA -1.147 60.246 61.300 0.154 0.000 1.017 256 I CB 2.477 40.571 38.000 0.156 0.000 1.226 256 I HN -0.011 nan 8.210 nan 0.000 0.443 257 R N 3.176 123.742 120.500 0.111 0.000 2.575 257 R HA 0.752 5.091 4.340 -0.001 0.000 0.293 257 R C -2.173 174.167 176.300 0.066 0.000 0.983 257 R CA -0.579 55.575 56.100 0.089 0.000 0.887 257 R CB 2.398 32.744 30.300 0.077 0.000 1.184 257 R HN 0.676 nan 8.270 nan 0.000 0.445 258 V N 3.262 123.198 119.914 0.037 0.000 2.448 258 V HA 0.420 4.540 4.120 -0.001 0.000 0.295 258 V C -0.491 175.604 176.094 0.001 0.000 1.025 258 V CA -0.496 61.809 62.300 0.009 0.000 0.859 258 V CB 2.105 33.904 31.823 -0.040 0.000 0.988 258 V HN 0.823 nan 8.190 nan 0.000 0.431 259 T N 4.149 118.710 114.554 0.012 0.000 2.786 259 T HA 0.595 4.944 4.350 -0.001 0.000 0.283 259 T C 0.496 175.202 174.700 0.009 0.000 0.992 259 T CA -0.202 61.905 62.100 0.011 0.000 0.954 259 T CB 1.532 70.411 68.868 0.019 0.000 0.934 259 T HN 0.881 nan 8.240 nan 0.000 0.440 260 G N 1.804 110.607 108.800 0.004 0.000 2.510 260 G HA2 0.350 4.309 3.960 -0.001 0.000 0.280 260 G HA3 0.350 4.309 3.960 -0.001 0.000 0.280 260 G C 0.495 175.411 174.900 0.027 0.000 1.386 260 G CA -0.754 44.352 45.100 0.009 0.000 1.047 260 G HN 0.695 nan 8.290 nan 0.000 0.527 261 N N -1.887 116.831 118.700 0.031 0.000 2.275 261 N HA 0.076 4.815 4.740 -0.001 0.000 0.236 261 N C 0.414 175.958 175.510 0.056 0.000 1.154 261 N CA -0.202 52.870 53.050 0.035 0.000 0.866 261 N CB -0.092 38.408 38.487 0.023 0.000 1.093 261 N HN 0.714 nan 8.380 nan 0.000 0.515 262 N N -1.993 116.765 118.700 0.097 0.000 2.961 262 N HA -0.276 4.463 4.740 -0.001 0.000 0.223 262 N C 0.392 176.015 175.510 0.188 0.000 0.866 262 N CA 1.960 55.124 53.050 0.190 0.000 1.030 262 N CB -1.373 37.197 38.487 0.138 0.000 1.037 262 N HN 0.624 nan 8.380 nan 0.000 0.608 263 T N -3.713 110.901 114.554 0.099 0.000 3.000 263 T HA 0.259 4.609 4.350 -0.001 0.000 0.248 263 T C 1.329 176.061 174.700 0.054 0.000 1.034 263 T CA 0.364 62.513 62.100 0.081 0.000 1.060 263 T CB -0.414 68.480 68.868 0.044 0.000 0.983 263 T HN 0.468 nan 8.240 nan 0.000 0.482 264 C N 2.282 121.602 119.300 0.033 0.000 2.480 264 C HA 0.713 5.172 4.460 -0.001 0.000 0.358 264 C C 0.361 175.345 174.990 -0.011 0.000 1.309 264 C CA -1.462 57.560 59.018 0.007 0.000 2.465 264 C CB -0.230 27.508 27.740 -0.002 0.000 2.379 264 C HN 0.347 nan 8.230 nan 0.000 0.642 265 N N 0.165 118.847 118.700 -0.030 0.000 2.463 265 N HA 0.444 5.184 4.740 -0.001 0.000 0.270 265 N C 0.963 176.421 175.510 -0.086 0.000 1.205 265 N CA 0.288 53.300 53.050 -0.062 0.000 0.974 265 N CB 1.224 39.677 38.487 -0.056 0.000 1.197 265 N HN 0.981 nan 8.380 nan 0.000 0.504 266 G N 0.290 109.004 108.800 -0.144 0.000 2.624 266 G HA2 0.178 4.137 3.960 -0.001 0.000 0.216 266 G HA3 0.178 4.137 3.960 -0.001 0.000 0.216 266 G C 0.246 175.039 174.900 -0.178 0.000 1.274 266 G CA 0.279 45.268 45.100 -0.185 0.000 0.856 266 G HN 0.507 nan 8.290 nan 0.000 0.555 267 I N 1.882 122.304 120.570 -0.247 0.000 2.436 267 I HA 0.387 4.557 4.170 -0.001 0.000 0.289 267 I C -1.082 174.956 176.117 -0.132 0.000 1.010 267 I CA -0.802 60.389 61.300 -0.182 0.000 1.098 267 I CB 2.206 40.075 38.000 -0.217 0.000 1.266 267 I HN 0.436 nan 8.210 nan 0.000 0.434 268 D N 3.542 123.888 120.400 -0.090 0.000 2.904 268 D HA 0.559 5.199 4.640 -0.001 0.000 0.290 268 D C -0.419 175.856 176.300 -0.042 0.000 1.180 268 D CA -0.318 53.648 54.000 -0.057 0.000 1.065 268 D CB 1.275 42.052 40.800 -0.038 0.000 1.386 268 D HN 0.458 nan 8.370 nan 0.000 0.599 269 T N -3.254 111.300 114.554 0.000 0.000 2.888 269 T HA 0.444 4.794 4.350 -0.001 0.000 0.288 269 T C 0.271 175.008 174.700 0.061 0.000 1.063 269 T CA -0.767 61.353 62.100 0.034 0.000 1.010 269 T CB 1.108 70.025 68.868 0.082 0.000 1.214 269 T HN 0.491 nan 8.240 nan 0.000 0.533 270 N N 0.094 118.848 118.700 0.090 0.000 2.295 270 N HA 0.166 4.906 4.740 -0.001 0.000 0.221 270 N C -0.143 175.496 175.510 0.214 0.000 1.129 270 N CA -0.441 52.678 53.050 0.115 0.000 0.836 270 N CB -0.590 37.928 38.487 0.052 0.000 1.040 270 N HN 0.690 nan 8.380 nan 0.000 0.494 271 I N 1.076 121.774 120.570 0.214 0.000 2.519 271 I HA 0.171 4.341 4.170 -0.001 0.000 0.287 271 I C 0.613 176.859 176.117 0.216 0.000 1.047 271 I CA -0.248 61.186 61.300 0.222 0.000 1.381 271 I CB 1.197 39.314 38.000 0.195 0.000 1.417 271 I HN 0.167 nan 8.210 nan 0.000 0.540 272 T N 1.682 116.384 114.554 0.247 0.000 2.883 272 T HA 0.563 4.913 4.350 -0.001 0.000 0.296 272 T C 0.572 175.471 174.700 0.333 0.000 1.117 272 T CA -0.348 61.890 62.100 0.230 0.000 1.006 272 T CB 1.803 70.756 68.868 0.142 0.000 1.191 272 T HN 0.550 nan 8.240 nan 0.000 0.508 273 A N 0.375 123.286 122.820 0.152 0.000 2.015 273 A HA 0.060 4.380 4.320 -0.001 0.000 0.219 273 A C 1.770 179.408 177.584 0.091 0.000 1.163 273 A CA 1.398 53.433 52.037 -0.003 0.000 0.646 273 A CB -0.914 17.992 19.000 -0.157 0.000 0.806 273 A HN 0.881 nan 8.150 nan 0.000 0.448 274 E N 1.009 121.274 120.200 0.109 0.000 2.481 274 E HA 0.021 4.371 4.350 -0.001 0.000 0.195 274 E C -0.485 176.202 176.600 0.145 0.000 1.047 274 E CA 0.086 56.544 56.400 0.096 0.000 0.867 274 E CB -0.096 29.644 29.700 0.066 0.000 0.858 274 E HN 0.471 nan 8.360 nan 0.000 0.513 275 D N 0.081 120.613 120.400 0.219 0.000 2.487 275 D HA -0.047 4.593 4.640 -0.001 0.000 0.243 275 D C 0.738 177.216 176.300 0.297 0.000 1.154 275 D CA 0.325 54.458 54.000 0.222 0.000 0.876 275 D CB 1.016 41.949 40.800 0.222 0.000 1.161 275 D HN 0.074 nan 8.370 nan 0.000 0.478 276 S N 0.370 116.188 115.700 0.196 0.000 2.540 276 S HA 0.230 4.700 4.470 -0.001 0.000 0.218 276 S C 0.344 175.028 174.600 0.141 0.000 0.977 276 S CA -0.499 57.825 58.200 0.207 0.000 0.918 276 S CB 0.390 63.659 63.200 0.115 0.000 0.806 276 S HN 0.170 nan 8.310 nan 0.000 0.496 277 V N 2.276 122.202 119.914 0.019 0.000 2.680 277 V HA 0.455 4.575 4.120 -0.001 0.000 0.309 277 V C -0.145 175.651 176.094 -0.497 0.000 1.052 277 V CA -1.125 61.047 62.300 -0.213 0.000 0.908 277 V CB 1.770 33.467 31.823 -0.211 0.000 1.001 277 V HN 0.403 nan 8.190 nan 0.000 0.431 278 I N 5.489 125.529 120.570 -0.883 0.000 2.581 278 I HA 0.187 4.356 4.170 -0.001 0.000 0.285 278 I C 0.294 176.028 176.117 -0.640 0.000 1.129 278 I CA 0.189 60.810 61.300 -1.131 0.000 1.397 278 I CB -0.019 37.245 38.000 -1.225 0.000 1.399 278 I HN 0.423 nan 8.210 nan 0.000 0.537 279 R N 6.458 126.660 120.500 -0.498 0.000 2.514 279 R HA 0.563 4.903 4.340 -0.001 0.000 0.301 279 R C -0.763 175.429 176.300 -0.180 0.000 0.962 279 R CA -0.795 55.051 56.100 -0.422 0.000 0.882 279 R CB 1.790 31.773 30.300 -0.528 0.000 1.143 279 R HN 0.598 nan 8.270 nan 0.000 0.452 280 Q N 0.936 120.690 119.800 -0.077 0.000 2.347 280 Q HA 0.466 4.806 4.340 -0.001 0.000 0.271 280 Q C -0.954 175.183 176.000 0.228 0.000 1.064 280 Q CA -0.936 54.885 55.803 0.029 0.000 0.800 280 Q CB 3.290 31.897 28.738 -0.219 0.000 1.304 280 Q HN 0.200 nan 8.270 nan 0.000 0.438 281 V N 3.076 123.174 119.914 0.307 0.000 2.294 281 V HA 0.309 4.428 4.120 -0.001 0.000 0.272 281 V C -1.383 175.034 176.094 0.538 0.000 1.027 281 V CA -0.523 62.024 62.300 0.412 0.000 0.823 281 V CB 0.131 32.115 31.823 0.269 0.000 1.030 281 V HN 0.606 nan 8.190 nan 0.000 0.457 282 Y N 2.489 123.057 120.300 0.446 0.000 2.361 282 Y HA 0.653 5.203 4.550 -0.001 0.000 0.337 282 Y C 0.638 176.665 175.900 0.212 0.000 0.965 282 Y CA -0.261 58.017 58.100 0.296 0.000 1.091 282 Y CB 2.094 40.583 38.460 0.049 0.000 1.182 282 Y HN 0.772 nan 8.280 nan 0.000 0.450 283 G N 3.260 112.347 108.800 0.478 0.000 2.303 283 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.260 283 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.260 283 G C -1.002 173.867 174.900 -0.052 0.000 1.106 283 G CA -0.450 44.799 45.100 0.248 0.000 0.900 283 G HN 0.506 nan 8.290 nan 0.000 0.495 284 W N -0.947 120.299 121.300 -0.089 0.000 2.551 284 W HA 0.638 5.298 4.660 -0.000 0.000 0.330 284 W C 0.179 176.388 176.519 -0.517 0.000 1.063 284 W CA -0.934 56.176 57.345 -0.393 0.000 1.222 284 W CB 1.916 30.912 29.460 -0.774 0.000 1.349 284 W HN 0.199 nan 8.180 nan 0.000 0.536 285 V N 4.091 123.862 119.914 -0.240 0.000 2.417 285 V HA 0.399 4.519 4.120 -0.001 0.000 0.291 285 V C -0.873 175.033 176.094 -0.313 0.000 1.024 285 V CA -0.960 61.202 62.300 -0.230 0.000 0.861 285 V CB 0.640 32.442 31.823 -0.035 0.000 0.985 285 V HN 0.198 nan 8.190 nan 0.000 0.436 286 F N 3.114 123.089 119.950 0.041 0.000 2.375 286 F HA 0.537 5.063 4.527 -0.001 0.000 0.361 286 F C 0.009 175.872 175.800 0.105 0.000 1.117 286 F CA -1.183 56.838 58.000 0.035 0.000 1.037 286 F CB 1.297 40.137 39.000 -0.266 0.000 1.192 286 F HN 0.478 nan 8.300 nan 0.000 0.452 287 D N 2.982 123.558 120.400 0.294 0.000 2.549 287 D HA 0.211 4.851 4.640 -0.001 0.000 0.251 287 D C 0.004 176.432 176.300 0.214 0.000 1.153 287 D CA -0.490 53.635 54.000 0.208 0.000 0.861 287 D CB 0.661 41.536 40.800 0.126 0.000 1.207 287 D HN 0.451 nan 8.370 nan 0.000 0.543 288 N N 2.752 121.574 118.700 0.204 0.000 2.738 288 N HA -0.168 4.572 4.740 -0.001 0.000 0.249 288 N C -1.290 174.351 175.510 0.218 0.000 1.047 288 N CA 0.833 53.995 53.050 0.185 0.000 0.707 288 N CB -1.073 37.498 38.487 0.141 0.000 0.937 288 N HN 0.188 nan 8.380 nan 0.000 0.545 292 N N 2.809 121.506 118.700 -0.005 0.000 2.277 292 N HA 0.577 5.316 4.740 -0.001 0.000 0.286 292 N C -0.883 174.634 175.510 0.012 0.000 1.140 292 N CA -0.623 52.439 53.050 0.019 0.000 0.799 292 N CB 2.965 41.477 38.487 0.042 0.000 1.596 292 N HN 0.860 nan 8.380 nan 0.000 0.473 293 E N -0.386 119.834 120.200 0.033 0.000 2.271 293 E HA -0.126 4.223 4.350 -0.001 0.000 0.215 293 E C -0.963 175.676 176.600 0.065 0.000 1.256 293 E CA 0.073 56.522 56.400 0.083 0.000 0.678 293 E CB -1.278 28.464 29.700 0.071 0.000 1.187 293 E HN 0.432 nan 8.360 nan 0.000 0.392 294 V N -3.510 116.400 119.914 -0.008 0.000 3.206 294 V HA 0.419 4.539 4.120 -0.001 0.000 0.305 294 V C 1.081 177.045 176.094 -0.217 0.000 1.257 294 V CA -0.995 61.270 62.300 -0.059 0.000 1.057 294 V CB 2.062 33.822 31.823 -0.104 0.000 1.075 294 V HN 0.017 nan 8.190 nan 0.000 0.443 295 E N 0.814 120.949 120.200 -0.109 0.000 2.005 295 E HA 0.078 4.428 4.350 -0.001 0.000 0.191 295 E C 0.440 176.926 176.600 -0.189 0.000 0.987 295 E CA 1.657 57.977 56.400 -0.134 0.000 0.814 295 E CB -0.012 29.695 29.700 0.013 0.000 0.772 295 E HN 0.861 nan 8.360 nan 0.000 0.453 296 T N 0.451 114.933 114.554 -0.119 0.000 2.779 296 T HA 0.452 4.802 4.350 -0.001 0.000 0.280 296 T C 0.538 175.145 174.700 -0.154 0.000 0.987 296 T CA 0.044 62.072 62.100 -0.120 0.000 0.966 296 T CB 1.856 70.686 68.868 -0.064 0.000 0.933 296 T HN 0.147 nan 8.240 nan 0.000 0.442 297 A N 3.190 125.900 122.820 -0.183 0.000 1.855 297 A HA 0.165 4.484 4.320 -0.001 0.000 0.213 297 A C -0.079 177.205 177.584 -0.500 0.000 1.195 297 A CA 0.976 52.829 52.037 -0.306 0.000 0.610 297 A CB -0.213 18.655 19.000 -0.220 0.000 0.837 297 A HN 0.796 nan 8.150 nan 0.000 0.444 298 Y N -0.689 119.494 120.300 -0.194 0.000 2.363 298 Y HA 0.568 5.118 4.550 -0.001 0.000 0.325 298 Y C -0.215 175.555 175.900 -0.215 0.000 0.984 298 Y CA -1.041 56.937 58.100 -0.204 0.000 1.248 298 Y CB 1.296 39.608 38.460 -0.246 0.000 1.116 298 Y HN 0.250 nan 8.280 nan 0.000 0.470 302 G N 0.939 109.899 108.800 0.267 0.000 2.296 302 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.282 302 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.282 302 G C -0.491 174.678 174.900 0.449 0.000 1.014 302 G CA 0.770 46.074 45.100 0.340 0.000 0.812 302 G HN 0.320 nan 8.290 nan 0.000 0.508 303 L N 0.085 121.529 121.223 0.368 0.000 2.278 303 L HA 0.782 5.122 4.340 -0.001 0.000 0.287 303 L C -0.354 176.684 176.870 0.279 0.000 1.072 303 L CA -1.126 53.930 54.840 0.360 0.000 0.819 303 L CB 0.163 42.448 42.059 0.376 0.000 1.176 303 L HN 0.152 nan 8.230 nan 0.000 0.435 304 W N 4.473 125.721 121.300 -0.086 0.000 2.736 304 W HA 0.455 5.114 4.660 -0.001 0.000 0.335 304 W C 0.177 176.568 176.519 -0.214 0.000 1.059 304 W CA -0.345 56.798 57.345 -0.337 0.000 1.226 304 W CB 0.466 29.268 29.460 -1.095 0.000 1.416 304 W HN 0.593 nan 8.180 nan 0.000 0.505 305 H N 0.929 119.956 119.070 -0.071 0.000 2.677 305 H HA -0.131 4.425 4.556 -0.001 0.000 0.321 305 H C -0.320 175.058 175.328 0.085 0.000 1.171 305 H CA 0.712 56.770 56.048 0.018 0.000 1.139 305 H CB -1.049 28.770 29.762 0.094 0.000 1.515 305 H HN 0.234 nan 8.280 nan 0.000 0.423 306 S N 0.268 116.085 115.700 0.194 0.000 2.667 306 S HA 0.650 5.119 4.470 -0.001 0.000 0.292 306 S C -0.260 174.436 174.600 0.161 0.000 1.126 306 S CA -1.066 57.234 58.200 0.168 0.000 0.881 306 S CB 3.417 66.753 63.200 0.227 0.000 1.132 306 S HN 0.411 nan 8.310 nan 0.000 0.492 307 K N 0.912 121.365 120.400 0.088 0.000 2.513 307 K HA 0.573 4.893 4.320 -0.001 0.000 0.251 307 K C -2.024 174.678 176.600 0.171 0.000 0.939 307 K CA -0.452 55.940 56.287 0.174 0.000 0.793 307 K CB 0.838 33.404 32.500 0.110 0.000 1.241 307 K HN 0.453 nan 8.250 nan 0.000 0.431 308 F N 4.512 124.626 119.950 0.273 0.000 2.420 308 F HA 0.533 5.059 4.527 -0.001 0.000 0.342 308 F C -0.018 175.878 175.800 0.160 0.000 1.113 308 F CA -0.778 57.385 58.000 0.273 0.000 1.059 308 F CB 1.401 40.528 39.000 0.212 0.000 1.128 308 F HN 0.356 nan 8.300 nan 0.000 0.475 309 I N 2.748 123.503 120.570 0.309 0.000 2.512 309 I HA 0.574 4.744 4.170 -0.001 0.000 0.287 309 I C 0.070 176.290 176.117 0.172 0.000 1.069 309 I CA -0.474 60.942 61.300 0.192 0.000 1.056 309 I CB 1.356 39.439 38.000 0.137 0.000 1.229 309 I HN 0.785 nan 8.210 nan 0.000 0.429 310 A N 4.043 126.939 122.820 0.128 0.000 2.822 310 A HA -0.209 4.110 4.320 -0.001 0.000 0.287 310 A C 0.297 177.972 177.584 0.151 0.000 1.479 310 A CA 0.922 53.035 52.037 0.126 0.000 0.779 310 A CB -2.915 16.157 19.000 0.121 0.000 1.022 310 A HN 0.701 nan 8.150 nan 0.000 0.532 311 C N 0.168 119.557 119.300 0.150 0.000 2.500 311 C HA 0.709 5.168 4.460 -0.001 0.000 0.367 311 C C 0.636 175.708 174.990 0.136 0.000 1.283 311 C CA -0.200 58.939 59.018 0.202 0.000 2.456 311 C CB 1.417 29.320 27.740 0.272 0.000 2.457 311 C HN 0.789 nan 8.230 nan 0.000 0.632 312 Q N 0.481 120.448 119.800 0.279 0.000 2.359 312 Q HA 0.668 5.008 4.340 -0.001 0.000 0.274 312 Q C -1.519 174.758 176.000 0.463 0.000 1.074 312 Q CA -0.254 55.710 55.803 0.268 0.000 0.810 312 Q CB 2.182 31.039 28.738 0.199 0.000 1.342 312 Q HN 0.911 nan 8.270 nan 0.000 0.427 313 A N 1.282 124.404 122.820 0.503 0.000 2.449 313 A HA 0.956 5.275 4.320 -0.001 0.000 0.302 313 A C -0.859 176.917 177.584 0.320 0.000 1.048 313 A CA 0.042 52.342 52.037 0.438 0.000 0.708 313 A CB 1.998 21.330 19.000 0.553 0.000 1.274 313 A HN 0.741 nan 8.150 nan 0.000 0.410 314 G N -0.676 108.237 108.800 0.188 0.000 2.704 314 G HA2 0.618 4.577 3.960 -0.001 0.000 0.293 314 G HA3 0.618 4.577 3.960 -0.001 0.000 0.293 314 G C -0.374 174.569 174.900 0.072 0.000 1.421 314 G CA 0.224 45.402 45.100 0.130 0.000 0.870 314 G HN 1.596 nan 8.290 nan 0.000 0.492 315 T N -1.233 113.355 114.554 0.057 0.000 3.357 315 T HA -0.144 4.205 4.350 -0.001 0.000 0.422 315 T C 0.335 175.026 174.700 -0.015 0.000 0.768 315 T CA 1.221 63.376 62.100 0.092 0.000 2.153 315 T CB -2.346 66.593 68.868 0.120 0.000 1.688 315 T HN 2.055 nan 8.240 nan 0.000 0.659 316 C N 0.092 119.275 119.300 -0.196 0.000 3.288 316 C HA 0.778 5.238 4.460 -0.001 0.000 0.318 316 C C 1.304 175.981 174.990 -0.522 0.000 1.356 316 C CA -1.216 57.456 59.018 -0.577 0.000 1.359 316 C CB 2.136 29.761 27.740 -0.191 0.000 1.688 316 C HN 0.653 nan 8.230 nan 0.000 0.467 317 R N 0.328 120.451 120.500 -0.629 0.000 2.112 317 R HA 0.362 4.702 4.340 -0.001 0.000 0.216 317 R C -0.213 176.189 176.300 0.170 0.000 1.080 317 R CA 1.177 57.235 56.100 -0.070 0.000 0.996 317 R CB 0.242 30.550 30.300 0.013 0.000 0.902 317 R HN 0.724 nan 8.270 nan 0.000 0.449 318 V N -0.026 119.903 119.914 0.025 0.000 2.577 318 V HA 0.320 4.440 4.120 -0.001 0.000 0.303 318 V C 0.780 176.773 176.094 -0.169 0.000 1.042 318 V CA -0.507 61.754 62.300 -0.066 0.000 0.872 318 V CB 1.602 33.348 31.823 -0.127 0.000 0.998 318 V HN 0.417 nan 8.190 nan 0.000 0.423 319 G N 3.788 112.350 108.800 -0.397 0.000 2.547 319 G HA2 0.101 4.061 3.960 -0.001 0.000 0.214 319 G HA3 0.101 4.061 3.960 -0.001 0.000 0.214 319 G C 0.067 174.601 174.900 -0.610 0.000 1.254 319 G CA 0.671 45.472 45.100 -0.499 0.000 0.817 319 G HN 0.482 nan 8.290 nan 0.000 0.551 320 L N -0.170 120.532 121.223 -0.867 0.000 2.376 320 L HA 0.527 4.867 4.340 -0.001 0.000 0.275 320 L C -1.195 175.331 176.870 -0.573 0.000 0.987 320 L CA -1.028 53.336 54.840 -0.795 0.000 0.828 320 L CB 1.768 43.095 42.059 -1.221 0.000 1.249 320 L HN 0.426 nan 8.230 nan 0.000 0.409 321 H N 5.029 123.779 119.070 -0.532 0.000 2.595 321 H HA 0.405 4.961 4.556 -0.001 0.000 0.313 321 H C -1.321 173.799 175.328 -0.347 0.000 1.023 321 H CA -0.831 54.989 56.048 -0.381 0.000 1.218 321 H CB 0.764 30.367 29.762 -0.265 0.000 1.403 321 H HN 0.543 nan 8.280 nan 0.000 0.477 322 F N 6.007 125.979 119.950 0.036 0.000 2.368 322 F HA 0.151 4.678 4.527 -0.001 0.000 0.362 322 F C -0.323 175.413 175.800 -0.107 0.000 1.137 322 F CA -0.626 57.354 58.000 -0.034 0.000 1.161 322 F CB 0.475 39.476 39.000 0.001 0.000 1.265 322 F HN 0.374 nan 8.300 nan 0.000 0.530 323 L N 3.606 124.775 121.223 -0.089 0.000 2.296 323 L HA 0.861 5.201 4.340 -0.001 0.000 0.286 323 L C 0.347 177.238 176.870 0.034 0.000 1.023 323 L CA 0.256 54.975 54.840 -0.202 0.000 0.812 323 L CB 0.848 42.605 42.059 -0.503 0.000 1.223 323 L HN 0.752 nan 8.230 nan 0.000 0.421 324 G N 4.029 112.865 108.800 0.060 0.000 2.498 324 G HA2 -0.298 3.662 3.960 -0.001 0.000 0.245 324 G HA3 -0.298 3.662 3.960 -0.001 0.000 0.245 324 G C -0.243 174.777 174.900 0.201 0.000 1.204 324 G CA 0.298 45.531 45.100 0.222 0.000 0.933 324 G HN 0.871 nan 8.290 nan 0.000 0.574 325 Q N 0.373 120.345 119.800 0.285 0.000 2.571 325 Q HA 0.506 4.845 4.340 -0.001 0.000 0.222 325 Q C -0.485 175.580 176.000 0.110 0.000 1.167 325 Q CA -0.538 55.389 55.803 0.207 0.000 0.966 325 Q CB -0.369 28.587 28.738 0.365 0.000 1.274 325 Q HN 0.660 nan 8.270 nan 0.000 0.552 326 C N 2.846 122.125 119.300 -0.035 0.000 2.319 326 C HA 0.672 5.132 4.460 -0.001 0.000 0.335 326 C C -0.205 174.521 174.990 -0.440 0.000 1.274 326 C CA -0.721 58.196 59.018 -0.169 0.000 1.806 326 C CB 0.619 28.312 27.740 -0.077 0.000 2.329 326 C HN 0.527 nan 8.230 nan 0.000 0.524 327 V N 3.256 122.737 119.914 -0.722 0.000 2.569 327 V HA 0.571 4.690 4.120 -0.001 0.000 0.301 327 V C 0.098 175.909 176.094 -0.472 0.000 1.044 327 V CA -0.201 61.611 62.300 -0.813 0.000 0.874 327 V CB 1.651 32.497 31.823 -1.629 0.000 1.002 327 V HN 1.074 nan 8.190 nan 0.000 0.424 328 S N 3.388 118.915 115.700 -0.288 0.000 3.681 328 S HA -0.097 4.373 4.470 -0.001 0.000 0.473 328 S C -0.666 173.887 174.600 -0.079 0.000 0.830 328 S CA 0.466 58.571 58.200 -0.158 0.000 1.355 328 S CB -0.476 62.621 63.200 -0.171 0.000 0.892 328 S HN 0.964 nan 8.310 nan 0.000 0.649 329 V N 4.322 124.187 119.914 -0.082 0.000 2.638 329 V HA 0.821 4.941 4.120 -0.001 0.000 0.306 329 V C 0.170 176.309 176.094 0.075 0.000 1.052 329 V CA -0.133 62.187 62.300 0.035 0.000 0.885 329 V CB 2.386 34.209 31.823 0.000 0.000 0.999 329 V HN 0.917 nan 8.190 nan 0.000 0.424 330 S N 3.068 118.874 115.700 0.178 0.000 2.532 330 S HA 0.863 5.333 4.470 -0.001 0.000 0.301 330 S C -0.968 173.817 174.600 0.307 0.000 1.083 330 S CA -0.778 57.531 58.200 0.180 0.000 1.025 330 S CB 2.034 65.306 63.200 0.120 0.000 1.056 330 S HN 0.486 nan 8.310 nan 0.000 0.494 331 V N 2.413 122.475 119.914 0.247 0.000 2.357 331 V HA 0.509 4.628 4.120 -0.001 0.000 0.281 331 V C -0.589 175.589 176.094 0.140 0.000 1.015 331 V CA -0.467 61.976 62.300 0.238 0.000 0.827 331 V CB 1.052 32.982 31.823 0.178 0.000 1.018 331 V HN 0.973 nan 8.190 nan 0.000 0.432 332 S N 2.396 118.176 115.700 0.134 0.000 2.498 332 S HA 0.495 4.964 4.470 -0.001 0.000 0.317 332 S C 0.543 175.159 174.600 0.026 0.000 1.090 332 S CA -0.498 57.748 58.200 0.076 0.000 1.089 332 S CB 1.531 64.786 63.200 0.091 0.000 0.997 332 S HN 0.916 nan 8.310 nan 0.000 0.470 333 S N 0.286 115.964 115.700 -0.038 0.000 3.698 333 S HA -0.161 4.308 4.470 -0.001 0.000 0.338 333 S C 0.331 174.817 174.600 -0.191 0.000 1.089 333 S CA 0.296 58.445 58.200 -0.085 0.000 0.991 333 S CB -2.297 60.919 63.200 0.026 0.000 0.909 333 S HN 0.801 nan 8.310 nan 0.000 0.485 334 C N 2.548 121.640 119.300 -0.346 0.000 2.405 334 C HA 0.516 4.976 4.460 -0.001 0.000 0.365 334 C C 0.717 175.157 174.990 -0.917 0.000 1.233 334 C CA -0.623 58.073 59.018 -0.537 0.000 2.230 334 C CB 0.311 27.654 27.740 -0.663 0.000 2.443 334 C HN 0.559 nan 8.230 nan 0.000 0.556 335 H N 2.009 120.751 119.070 -0.547 0.000 2.762 335 H HA 0.373 4.929 4.556 -0.001 0.000 0.310 335 H C -1.195 173.974 175.328 -0.264 0.000 1.004 335 H CA -0.112 55.740 56.048 -0.328 0.000 1.267 335 H CB 0.715 30.415 29.762 -0.103 0.000 1.437 335 H HN 0.446 nan 8.280 nan 0.000 0.498 336 F N 1.200 121.274 119.950 0.206 0.000 2.436 336 F HA 0.376 4.903 4.527 -0.001 0.000 0.340 336 F C 0.474 176.537 175.800 0.437 0.000 1.113 336 F CA -0.683 57.486 58.000 0.281 0.000 1.022 336 F CB 1.797 40.895 39.000 0.163 0.000 1.128 336 F HN 0.188 nan 8.300 nan 0.000 0.466 337 S N 2.428 118.449 115.700 0.536 0.000 2.571 337 S HA 0.377 4.847 4.470 -0.001 0.000 0.284 337 S C 0.800 175.332 174.600 -0.113 0.000 1.128 337 S CA -0.990 57.309 58.200 0.166 0.000 0.970 337 S CB 2.384 65.640 63.200 0.093 0.000 1.039 337 S HN 0.767 nan 8.310 nan 0.000 0.485 338 R N 2.444 122.491 120.500 -0.756 0.000 2.092 338 R HA 0.108 4.448 4.340 -0.001 0.000 0.231 338 R C 1.317 177.503 176.300 -0.190 0.000 1.119 338 R CA 1.708 57.423 56.100 -0.641 0.000 0.970 338 R CB -0.706 29.102 30.300 -0.819 0.000 0.864 338 R HN 1.008 nan 8.270 nan 0.000 0.440 339 G N 0.526 109.229 108.800 -0.162 0.000 2.574 339 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.286 339 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.286 339 G C 0.053 174.923 174.900 -0.049 0.000 1.212 339 G CA 0.291 45.348 45.100 -0.072 0.000 0.979 339 G HN 0.467 nan 8.290 nan 0.000 0.557 340 N N 0.053 118.752 118.700 -0.002 0.000 2.314 340 N HA 0.149 4.889 4.740 -0.001 0.000 0.200 340 N C 0.457 175.979 175.510 0.020 0.000 1.135 340 N CA 0.131 53.178 53.050 -0.006 0.000 0.835 340 N CB 0.060 38.536 38.487 -0.019 0.000 0.989 340 N HN 0.457 nan 8.380 nan 0.000 0.478 341 Y N 1.605 121.873 120.300 -0.054 0.000 2.511 341 Y HA -0.052 4.498 4.550 -0.001 0.000 0.347 341 Y C 1.177 177.056 175.900 -0.035 0.000 1.257 341 Y CA 0.137 58.217 58.100 -0.033 0.000 1.469 341 Y CB 0.575 39.024 38.460 -0.018 0.000 1.353 341 Y HN -0.109 nan 8.280 nan 0.000 0.617 342 S N 2.855 118.508 115.700 -0.078 0.000 2.563 342 S HA 0.115 4.585 4.470 -0.001 0.000 0.294 342 S C 0.826 175.510 174.600 0.140 0.000 1.279 342 S CA -0.031 58.174 58.200 0.008 0.000 1.069 342 S CB 0.303 63.474 63.200 -0.050 0.000 0.828 342 S HN 0.853 nan 8.310 nan 0.000 0.497 343 A N 3.786 126.643 122.820 0.061 0.000 2.169 343 A HA 0.155 4.475 4.320 -0.001 0.000 0.212 343 A C 0.716 178.325 177.584 0.042 0.000 1.153 343 A CA 0.336 52.403 52.037 0.049 0.000 0.756 343 A CB -0.504 18.506 19.000 0.017 0.000 0.813 343 A HN 0.902 nan 8.150 nan 0.000 0.471 344 D N 1.015 121.442 120.400 0.045 0.000 2.458 344 D HA 0.111 4.751 4.640 -0.001 0.000 0.243 344 D C 0.127 176.453 176.300 0.042 0.000 1.146 344 D CA 0.498 54.515 54.000 0.029 0.000 0.877 344 D CB 0.227 41.045 40.800 0.030 0.000 1.176 344 D HN 0.196 nan 8.370 nan 0.000 0.461 345 E N 1.221 121.415 120.200 -0.010 0.000 2.328 345 E HA -0.206 4.144 4.350 -0.001 0.000 0.233 345 E C -0.672 175.937 176.600 0.016 0.000 1.219 345 E CA 0.807 57.208 56.400 0.002 0.000 0.717 345 E CB -1.948 27.825 29.700 0.122 0.000 1.210 345 E HN 0.473 nan 8.360 nan 0.000 0.381 346 S N -0.377 115.252 115.700 -0.119 0.000 2.508 346 S HA 0.750 5.220 4.470 -0.001 0.000 0.284 346 S C -0.210 174.273 174.600 -0.195 0.000 1.192 346 S CA -0.689 57.550 58.200 0.065 0.000 1.070 346 S CB 1.180 64.505 63.200 0.209 0.000 1.004 346 S HN 0.145 nan 8.310 nan 0.000 0.493 347 F N 0.539 120.519 119.950 0.051 0.000 2.574 347 F HA 0.588 5.114 4.527 -0.001 0.000 0.313 347 F C 1.206 176.540 175.800 -0.777 0.000 1.130 347 F CA -0.939 56.944 58.000 -0.196 0.000 0.936 347 F CB 1.816 40.676 39.000 -0.233 0.000 1.219 347 F HN 0.774 nan 8.300 nan 0.000 0.445 348 G N 2.730 111.026 108.800 -0.840 0.000 2.434 348 G HA2 0.057 4.017 3.960 -0.001 0.000 0.214 348 G HA3 0.057 4.017 3.960 -0.001 0.000 0.214 348 G C 0.315 174.791 174.900 -0.707 0.000 1.202 348 G CA 0.664 44.950 45.100 -1.356 0.000 0.788 348 G HN 0.458 nan 8.290 nan 0.000 0.539 349 I N -0.437 119.935 120.570 -0.329 0.000 2.499 349 I HA 0.425 4.594 4.170 -0.001 0.000 0.288 349 I C -0.581 175.488 176.117 -0.081 0.000 1.048 349 I CA -0.699 60.447 61.300 -0.256 0.000 1.062 349 I CB 2.662 40.590 38.000 -0.121 0.000 1.238 349 I HN -0.013 nan 8.210 nan 0.000 0.426 350 R N 7.165 127.592 120.500 -0.122 0.000 2.513 350 R HA 0.674 5.014 4.340 -0.001 0.000 0.301 350 R C -1.624 174.755 176.300 0.131 0.000 0.968 350 R CA -0.561 55.505 56.100 -0.057 0.000 0.872 350 R CB 1.548 31.537 30.300 -0.519 0.000 1.177 350 R HN 0.617 nan 8.270 nan 0.000 0.444 351 I N 4.401 125.110 120.570 0.232 0.000 2.390 351 I HA 0.269 4.439 4.170 -0.001 0.000 0.283 351 I C -0.632 175.625 176.117 0.233 0.000 1.016 351 I CA -0.465 60.991 61.300 0.259 0.000 1.151 351 I CB 1.755 39.879 38.000 0.207 0.000 1.293 351 I HN 0.516 nan 8.210 nan 0.000 0.458 352 Q N 8.718 128.586 119.800 0.114 0.000 2.274 352 Q HA 0.477 4.816 4.340 -0.001 0.000 0.268 352 Q C -2.671 173.268 176.000 -0.102 0.000 1.015 352 Q CA -1.779 53.941 55.803 -0.139 0.000 0.775 352 Q CB 3.131 31.689 28.738 -0.299 0.000 1.256 352 Q HN 0.235 nan 8.270 nan 0.000 0.442 353 P HA 0.059 nan 4.420 nan 0.000 0.271 353 P C -1.247 175.964 177.300 -0.149 0.000 1.233 353 P CA -0.121 62.933 63.100 -0.077 0.000 0.789 353 P CB 0.745 32.411 31.700 -0.056 0.000 0.951 354 Q N -0.053 119.648 119.800 -0.165 0.000 2.389 354 Q HA 0.480 4.820 4.340 -0.001 0.000 0.277 354 Q C -1.363 174.355 176.000 -0.469 0.000 1.082 354 Q CA -0.371 55.215 55.803 -0.362 0.000 0.810 354 Q CB 1.434 29.876 28.738 -0.493 0.000 1.374 354 Q HN 0.268 nan 8.270 nan 0.000 0.422 355 T N 3.476 117.720 114.554 -0.516 0.000 2.795 355 T HA 0.556 4.906 4.350 -0.001 0.000 0.282 355 T C -1.054 173.242 174.700 -0.673 0.000 0.980 355 T CA -0.039 61.781 62.100 -0.466 0.000 1.012 355 T CB 0.138 68.835 68.868 -0.284 0.000 0.936 355 T HN 0.376 nan 8.240 nan 0.000 0.457 356 Y N 0.214 120.239 120.300 -0.458 0.000 2.567 356 Y HA 0.545 5.095 4.550 -0.001 0.000 0.333 356 Y C 1.366 177.033 175.900 -0.388 0.000 1.106 356 Y CA -1.255 56.560 58.100 -0.474 0.000 1.157 356 Y CB 1.058 38.988 38.460 -0.882 0.000 1.277 356 Y HN 0.685 nan 8.280 nan 0.000 0.490 357 A N 1.982 124.787 122.820 -0.025 0.000 1.978 357 A HA -0.172 4.147 4.320 -0.001 0.000 0.220 357 A C 1.668 179.289 177.584 0.063 0.000 1.170 357 A CA 1.786 53.834 52.037 0.018 0.000 0.636 357 A CB -0.890 18.158 19.000 0.080 0.000 0.810 357 A HN 0.973 nan 8.150 nan 0.000 0.448 358 W N 0.005 121.361 121.300 0.095 0.000 2.800 358 W HA 0.037 4.697 4.660 -0.000 0.000 0.249 358 W C 1.472 178.030 176.519 0.065 0.000 1.294 358 W CA 1.091 58.467 57.345 0.053 0.000 1.402 358 W CB -0.981 28.484 29.460 0.008 0.000 1.126 358 W HN 0.489 nan 8.180 nan 0.000 0.652 359 S N -0.340 115.152 115.700 -0.347 0.000 2.497 359 S HA 0.182 4.652 4.470 -0.001 0.000 0.218 359 S C 1.367 175.882 174.600 -0.143 0.000 1.023 359 S CA 0.729 58.668 58.200 -0.435 0.000 0.913 359 S CB -0.077 62.513 63.200 -1.016 0.000 0.800 359 S HN 0.181 nan 8.310 nan 0.000 0.505 360 S N 1.062 116.693 115.700 -0.115 0.000 1.480 360 S HA -0.253 4.217 4.470 -0.001 0.000 0.244 360 S C 0.266 174.818 174.600 -0.080 0.000 0.702 360 S CA 1.785 59.948 58.200 -0.060 0.000 1.288 360 S CB -1.489 61.706 63.200 -0.008 0.000 1.411 360 S HN 1.043 nan 8.310 nan 0.000 0.505 361 E N 1.881 122.032 120.200 -0.082 0.000 2.281 361 E HA 0.783 5.133 4.350 -0.001 0.000 0.257 361 E C -0.170 176.357 176.600 -0.121 0.000 0.971 361 E CA -0.510 55.841 56.400 -0.082 0.000 0.839 361 E CB 1.688 31.363 29.700 -0.042 0.000 1.238 361 E HN 0.546 nan 8.360 nan 0.000 0.412 362 A N 0.670 123.428 122.820 -0.104 0.000 2.445 362 A HA 0.390 4.710 4.320 -0.001 0.000 0.242 362 A C 0.283 177.825 177.584 -0.070 0.000 1.075 362 A CA -0.283 51.682 52.037 -0.119 0.000 0.777 362 A CB 0.078 19.019 19.000 -0.099 0.000 1.013 362 A HN 0.612 nan 8.150 nan 0.000 0.493 363 V N 0.822 120.707 119.914 -0.048 0.000 2.628 363 V HA 0.882 5.001 4.120 -0.001 0.000 0.306 363 V C -0.137 175.995 176.094 0.064 0.000 1.045 363 V CA -1.000 61.328 62.300 0.048 0.000 0.905 363 V CB 1.302 33.208 31.823 0.139 0.000 0.997 363 V HN 1.194 nan 8.190 nan 0.000 0.436 364 R N 2.166 122.701 120.500 0.059 0.000 2.923 364 R HA 0.767 5.107 4.340 -0.001 0.000 0.252 364 R C -0.284 176.025 176.300 0.015 0.000 1.130 364 R CA -0.619 55.500 56.100 0.032 0.000 1.043 364 R CB 1.519 31.826 30.300 0.012 0.000 1.205 364 R HN 0.603 nan 8.270 nan 0.000 0.495 365 S N -0.073 115.616 115.700 -0.019 0.000 2.603 365 S HA 0.203 4.673 4.470 -0.001 0.000 0.268 365 S C -0.726 173.807 174.600 -0.112 0.000 1.317 365 S CA -0.560 57.581 58.200 -0.097 0.000 1.012 365 S CB 0.646 63.763 63.200 -0.137 0.000 0.926 365 S HN 0.506 nan 8.310 nan 0.000 0.539 366 E N 0.231 120.322 120.200 -0.182 0.000 2.308 366 E HA 0.545 4.895 4.350 -0.001 0.000 0.275 366 E C -0.891 175.604 176.600 -0.175 0.000 0.890 366 E CA -0.903 55.407 56.400 -0.150 0.000 0.754 366 E CB 1.810 31.416 29.700 -0.156 0.000 1.207 366 E HN 0.781 nan 8.360 nan 0.000 0.426 367 A N 2.980 125.745 122.820 -0.092 0.000 2.546 367 A HA -0.155 4.165 4.320 -0.001 0.000 0.295 367 A C -0.497 177.028 177.584 -0.098 0.000 1.455 367 A CA 0.277 52.275 52.037 -0.065 0.000 0.730 367 A CB -1.559 17.385 19.000 -0.093 0.000 1.111 367 A HN 0.388 nan 8.150 nan 0.000 0.411 368 I N 2.144 122.670 120.570 -0.073 0.000 2.362 368 I HA 0.505 4.675 4.170 -0.001 0.000 0.289 368 I C 0.019 176.145 176.117 0.014 0.000 0.994 368 I CA -0.887 60.346 61.300 -0.113 0.000 1.158 368 I CB 1.397 39.276 38.000 -0.203 0.000 1.315 368 I HN 0.322 nan 8.210 nan 0.000 0.451 369 I N 7.202 127.793 120.570 0.035 0.000 2.433 369 I HA 0.455 4.624 4.170 -0.001 0.000 0.292 369 I C -0.203 175.977 176.117 0.105 0.000 1.001 369 I CA -0.708 60.643 61.300 0.084 0.000 1.119 369 I CB 1.874 39.912 38.000 0.064 0.000 1.289 369 I HN 0.282 nan 8.210 nan 0.000 0.438 370 L N 6.267 127.558 121.223 0.113 0.000 2.325 370 L HA 0.583 4.922 4.340 -0.001 0.000 0.281 370 L C -0.780 176.155 176.870 0.108 0.000 1.004 370 L CA -0.548 54.364 54.840 0.120 0.000 0.823 370 L CB 1.808 43.942 42.059 0.124 0.000 1.236 370 L HN 0.600 nan 8.230 nan 0.000 0.415 371 D N 0.357 120.810 120.400 0.089 0.000 2.677 371 D HA 0.246 4.886 4.640 -0.001 0.000 0.298 371 D C -0.156 176.174 176.300 0.050 0.000 1.250 371 D CA -0.866 53.180 54.000 0.076 0.000 0.888 371 D CB 1.517 42.358 40.800 0.069 0.000 1.397 371 D HN 0.274 nan 8.370 nan 0.000 0.461 372 S N -0.269 115.459 115.700 0.047 0.000 3.697 372 S HA -0.213 4.256 4.470 -0.001 0.000 0.388 372 S C 0.028 174.636 174.600 0.013 0.000 0.941 372 S CA 1.532 59.752 58.200 0.034 0.000 1.247 372 S CB -1.542 61.679 63.200 0.036 0.000 0.904 372 S HN 1.046 nan 8.310 nan 0.000 0.518 373 E N -0.104 120.105 120.200 0.016 0.000 2.271 373 E HA -0.146 4.204 4.350 -0.001 0.000 0.223 373 E C 0.066 176.586 176.600 -0.134 0.000 1.223 373 E CA 1.453 57.847 56.400 -0.010 0.000 0.704 373 E CB -1.731 27.983 29.700 0.023 0.000 1.194 373 E HN 0.705 nan 8.360 nan 0.000 0.375 377 I N 2.907 123.775 120.570 0.496 0.000 2.436 377 I HA 0.698 4.867 4.170 -0.001 0.000 0.289 377 I C 0.813 176.960 176.117 0.049 0.000 1.010 377 I CA 1.286 62.763 61.300 0.296 0.000 1.098 377 I CB 1.515 39.641 38.000 0.211 0.000 1.266 377 I HN 1.093 nan 8.210 nan 0.000 0.434 378 G N 5.210 114.063 108.800 0.088 0.000 2.194 378 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.236 378 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.236 378 G C -0.052 174.753 174.900 -0.159 0.000 0.987 378 G CA -0.256 44.789 45.100 -0.090 0.000 0.635 378 G HN 0.477 nan 8.290 nan 0.000 0.520 379 F N 0.852 120.873 119.950 0.117 0.000 2.389 379 F HA 0.522 5.049 4.527 -0.001 0.000 0.337 379 F C 1.680 177.503 175.800 0.039 0.000 1.112 379 F CA 0.110 58.147 58.000 0.062 0.000 1.192 379 F CB 1.124 40.160 39.000 0.059 0.000 1.185 379 F HN -0.005 nan 8.300 nan 0.000 0.552 380 K N 1.201 121.684 120.400 0.138 0.000 2.063 380 K HA -0.137 4.182 4.320 -0.001 0.000 0.208 380 K C -0.403 176.211 176.600 0.023 0.000 1.048 380 K CA 1.480 57.788 56.287 0.034 0.000 0.928 380 K CB -0.102 32.346 32.500 -0.086 0.000 0.713 380 K HN 0.707 nan 8.250 nan 0.000 0.442 381 N N -0.740 117.923 118.700 -0.061 0.000 2.491 381 N HA 0.218 4.957 4.740 -0.001 0.000 0.274 381 N C -0.374 175.197 175.510 0.102 0.000 1.023 381 N CA -0.204 52.834 53.050 -0.019 0.000 0.902 381 N CB 2.019 40.381 38.487 -0.207 0.000 1.267 381 N HN 0.113 nan 8.380 nan 0.000 0.503 382 A N 2.018 124.936 122.820 0.163 0.000 1.841 382 A HA 0.044 4.364 4.320 -0.001 0.000 0.214 382 A C 0.506 178.140 177.584 0.084 0.000 1.195 382 A CA 1.152 53.293 52.037 0.173 0.000 0.611 382 A CB 0.174 19.307 19.000 0.221 0.000 0.835 382 A HN 0.413 nan 8.150 nan 0.000 0.443 383 V N -0.965 118.992 119.914 0.070 0.000 2.447 383 V HA 0.368 4.487 4.120 -0.001 0.000 0.292 383 V C -1.480 174.642 176.094 0.046 0.000 1.021 383 V CA -0.464 61.859 62.300 0.038 0.000 0.850 383 V CB 1.161 32.960 31.823 -0.040 0.000 1.005 383 V HN 0.382 nan 8.190 nan 0.000 0.426 384 Y N 4.501 124.825 120.300 0.040 0.000 2.328 384 Y HA 0.664 5.214 4.550 -0.001 0.000 0.333 384 Y C -0.345 175.547 175.900 -0.015 0.000 0.958 384 Y CA -0.698 57.420 58.100 0.029 0.000 1.167 384 Y CB 1.860 40.463 38.460 0.238 0.000 1.151 384 Y HN 0.414 nan 8.280 nan 0.000 0.470 385 V N 6.984 126.752 119.914 -0.243 0.000 2.293 385 V HA 0.143 4.262 4.120 -0.001 0.000 0.275 385 V C 0.851 176.862 176.094 -0.138 0.000 1.021 385 V CA -0.378 61.861 62.300 -0.101 0.000 0.815 385 V CB 0.528 32.249 31.823 -0.170 0.000 1.025 385 V HN 0.944 nan 8.190 nan 0.000 0.448 386 H N 1.882 120.981 119.070 0.048 0.000 2.357 386 H HA 0.058 4.614 4.556 -0.001 0.000 0.301 386 H C 0.257 175.564 175.328 -0.035 0.000 1.082 386 H CA 1.199 57.278 56.048 0.052 0.000 1.342 386 H CB 0.646 30.459 29.762 0.085 0.000 1.389 386 H HN 0.569 nan 8.280 nan 0.000 0.511 387 D N -1.155 119.309 120.400 0.107 0.000 2.706 387 D HA 0.256 4.895 4.640 -0.001 0.000 0.227 387 D C -1.547 174.759 176.300 0.009 0.000 1.233 387 D CA -0.261 53.751 54.000 0.019 0.000 0.768 387 D CB 2.073 42.886 40.800 0.023 0.000 1.490 387 D HN 0.144 nan 8.370 nan 0.000 0.458 388 C N 2.281 121.569 119.300 -0.020 0.000 3.283 388 C HA 0.646 5.106 4.460 -0.001 0.000 0.359 388 C C -1.786 173.190 174.990 -0.024 0.000 1.160 388 C CA -0.710 58.297 59.018 -0.019 0.000 1.232 388 C CB 0.904 28.639 27.740 -0.009 0.000 1.571 388 C HN 0.627 nan 8.230 nan 0.000 0.522 389 L N 3.951 125.160 121.223 -0.024 0.000 2.307 389 L HA 0.664 5.003 4.340 -0.001 0.000 0.284 389 L C -0.145 176.725 176.870 0.000 0.000 1.023 389 L CA 0.968 55.798 54.840 -0.016 0.000 0.810 389 L CB 1.270 43.319 42.059 -0.017 0.000 1.231 389 L HN 0.908 nan 8.230 nan 0.000 0.423 390 D N 3.158 123.572 120.400 0.023 0.000 2.956 390 D HA -0.223 4.417 4.640 -0.001 0.000 0.240 390 D C -1.616 174.757 176.300 0.121 0.000 1.141 390 D CA 0.867 54.927 54.000 0.099 0.000 0.820 390 D CB -0.688 40.171 40.800 0.099 0.000 0.988 390 D HN 0.460 nan 8.370 nan 0.000 0.417 391 L N 3.902 125.117 121.223 -0.013 0.000 2.325 391 L HA 0.624 4.964 4.340 -0.001 0.000 0.281 391 L C -0.671 176.004 176.870 -0.326 0.000 1.004 391 L CA -0.340 54.503 54.840 0.005 0.000 0.823 391 L CB 1.414 43.555 42.059 0.136 0.000 1.236 391 L HN 0.314 nan 8.230 nan 0.000 0.415 395 Q N 0.486 120.357 119.800 0.118 0.000 2.451 395 Q HA -0.183 4.157 4.340 -0.001 0.000 0.305 395 Q C -0.667 175.413 176.000 0.134 0.000 1.345 395 Q CA 0.890 56.756 55.803 0.106 0.000 0.854 395 Q CB -1.624 27.157 28.738 0.071 0.000 1.162 395 Q HN 0.477 nan 8.270 nan 0.000 0.440 396 L N 0.087 121.436 121.223 0.210 0.000 2.343 396 L HA 0.479 4.818 4.340 -0.001 0.000 0.275 396 L C 0.400 177.434 176.870 0.273 0.000 1.056 396 L CA -0.669 54.312 54.840 0.236 0.000 0.804 396 L CB 0.994 43.250 42.059 0.328 0.000 1.203 396 L HN 0.039 nan 8.230 nan 0.000 0.440 397 D N 3.471 124.017 120.400 0.243 0.000 2.462 397 D HA 0.308 4.947 4.640 -0.001 0.000 0.249 397 D C -0.835 175.681 176.300 0.360 0.000 1.117 397 D CA -0.263 53.921 54.000 0.307 0.000 0.900 397 D CB 0.747 41.643 40.800 0.160 0.000 1.039 397 D HN 0.285 nan 8.370 nan 0.000 0.516 398 L N 3.118 124.611 121.223 0.450 0.000 2.314 398 L HA 0.398 4.737 4.340 -0.001 0.000 0.275 398 L C 0.032 177.153 176.870 0.417 0.000 1.068 398 L CA -0.620 54.451 54.840 0.385 0.000 0.894 398 L CB 0.865 43.121 42.059 0.329 0.000 1.275 398 L HN 0.142 nan 8.230 nan 0.000 0.432 399 D N 1.025 121.682 120.400 0.428 0.000 2.340 399 D HA 0.326 4.966 4.640 -0.001 0.000 0.240 399 D C -0.295 176.248 176.300 0.405 0.000 1.001 399 D CA -0.291 53.978 54.000 0.449 0.000 0.888 399 D CB 1.107 42.212 40.800 0.508 0.000 1.310 399 D HN 0.238 nan 8.370 nan 0.000 0.474 400 Y N -0.573 119.811 120.300 0.141 0.000 3.225 400 Y HA -0.298 4.251 4.550 -0.001 0.000 0.211 400 Y C 0.262 176.195 175.900 0.054 0.000 1.223 400 Y CA -0.125 58.008 58.100 0.055 0.000 1.284 400 Y CB -1.857 36.628 38.460 0.042 0.000 1.367 400 Y HN 0.234 nan 8.280 nan 0.000 0.566 401 C N -0.004 119.369 119.300 0.123 0.000 2.601 401 C HA 0.451 4.911 4.460 -0.001 0.000 0.409 401 C C 2.097 177.182 174.990 0.159 0.000 1.293 401 C CA 0.155 59.301 59.018 0.214 0.000 2.101 401 C CB 0.789 28.756 27.740 0.377 0.000 2.639 401 C HN 0.860 nan 8.230 nan 0.000 0.592 402 G N 1.559 110.482 108.800 0.204 0.000 2.499 402 G HA2 -0.023 3.936 3.960 -0.001 0.000 0.213 402 G HA3 -0.023 3.936 3.960 -0.001 0.000 0.213 402 G C 1.494 176.558 174.900 0.273 0.000 1.230 402 G CA 0.919 46.114 45.100 0.159 0.000 0.813 402 G HN 0.665 nan 8.290 nan 0.000 0.542 403 S N -1.133 114.715 115.700 0.247 0.000 2.599 403 S HA 0.225 4.695 4.470 -0.001 0.000 0.236 403 S C 0.683 175.247 174.600 -0.060 0.000 1.077 403 S CA 0.742 59.038 58.200 0.160 0.000 0.906 403 S CB 0.619 63.835 63.200 0.027 0.000 0.804 403 S HN 0.735 nan 8.310 nan 0.000 0.497 404 T N -1.402 113.131 114.554 -0.034 0.000 2.900 404 T HA 0.691 5.041 4.350 -0.001 0.000 0.303 404 T C 0.775 175.472 174.700 -0.005 0.000 1.142 404 T CA -0.252 61.681 62.100 -0.279 0.000 1.007 404 T CB 1.622 70.408 68.868 -0.136 0.000 1.156 404 T HN 0.029 nan 8.240 nan 0.000 0.490 405 G N 0.640 109.390 108.800 -0.084 0.000 2.655 405 G HA2 0.414 4.373 3.960 -0.001 0.000 0.217 405 G HA3 0.414 4.373 3.960 -0.001 0.000 0.217 405 G C -0.278 174.623 174.900 0.002 0.000 1.279 405 G CA 0.127 45.296 45.100 0.114 0.000 0.870 405 G HN 0.821 nan 8.290 nan 0.000 0.560 406 V N 0.787 120.640 119.914 -0.101 0.000 2.444 406 V HA 0.527 4.647 4.120 -0.001 0.000 0.294 406 V C -0.728 175.179 176.094 -0.312 0.000 1.022 406 V CA -0.645 61.515 62.300 -0.233 0.000 0.850 406 V CB 1.842 33.435 31.823 -0.384 0.000 0.992 406 V HN 0.121 nan 8.190 nan 0.000 0.426 407 V N 5.996 125.668 119.914 -0.404 0.000 2.417 407 V HA 0.511 4.630 4.120 -0.001 0.000 0.291 407 V C -0.359 175.309 176.094 -0.710 0.000 1.024 407 V CA -0.520 61.432 62.300 -0.581 0.000 0.861 407 V CB 1.914 33.252 31.823 -0.809 0.000 0.985 407 V HN 0.601 nan 8.190 nan 0.000 0.436 408 I N 4.203 124.352 120.570 -0.702 0.000 2.428 408 I HA 0.366 4.536 4.170 -0.001 0.000 0.279 408 I C 1.204 177.012 176.117 -0.516 0.000 1.040 408 I CA -0.072 60.863 61.300 -0.609 0.000 1.171 408 I CB 1.052 38.657 38.000 -0.659 0.000 1.312 408 I HN 0.729 nan 8.210 nan 0.000 0.470 409 E N 3.658 123.579 120.200 -0.465 0.000 2.107 409 E HA -0.115 4.235 4.350 -0.001 0.000 0.191 409 E C 0.336 176.803 176.600 -0.222 0.000 0.982 409 E CA 0.949 57.150 56.400 -0.332 0.000 0.809 409 E CB 0.271 29.843 29.700 -0.214 0.000 0.756 409 E HN 0.586 nan 8.360 nan 0.000 0.459 410 N N -0.875 117.708 118.700 -0.194 0.000 2.555 410 N HA 0.236 4.976 4.740 -0.001 0.000 0.265 410 N C -2.169 173.248 175.510 -0.155 0.000 1.135 410 N CA -0.353 52.610 53.050 -0.144 0.000 0.925 410 N CB 2.250 40.685 38.487 -0.087 0.000 1.662 410 N HN -0.082 nan 8.380 nan 0.000 0.489 411 V N 2.298 122.118 119.914 -0.156 0.000 3.012 411 V HA 0.707 4.827 4.120 -0.001 0.000 0.307 411 V C -1.362 174.676 176.094 -0.094 0.000 1.166 411 V CA -0.446 61.770 62.300 -0.140 0.000 0.974 411 V CB 2.203 33.880 31.823 -0.243 0.000 1.040 411 V HN 0.941 nan 8.190 nan 0.000 0.428 412 N N 2.160 120.822 118.700 -0.064 0.000 2.571 412 N HA 0.751 5.490 4.740 -0.001 0.000 0.273 412 N C 0.329 175.805 175.510 -0.056 0.000 1.340 412 N CA -0.093 52.925 53.050 -0.054 0.000 0.789 412 N CB 1.945 40.413 38.487 -0.032 0.000 1.514 412 N HN 1.289 nan 8.380 nan 0.000 0.499 413 G N -0.478 108.282 108.800 -0.066 0.000 2.153 413 G HA2 0.173 4.133 3.960 -0.001 0.000 0.252 413 G HA3 0.173 4.133 3.960 -0.001 0.000 0.252 413 G C 0.394 175.256 174.900 -0.065 0.000 0.994 413 G CA 0.523 45.596 45.100 -0.045 0.000 0.698 413 G HN 1.398 nan 8.290 nan 0.000 0.521 414 G N -1.660 106.999 108.800 -0.234 0.000 3.225 414 G HA2 0.410 4.370 3.960 -0.001 0.000 0.686 414 G HA3 0.410 4.370 3.960 -0.001 0.000 0.686 414 G C -0.710 174.073 174.900 -0.196 0.000 1.105 414 G CA -0.039 44.824 45.100 -0.395 0.000 0.831 414 G HN 1.860 nan 8.290 nan 0.000 0.578 415 F N 2.908 122.647 119.950 -0.352 0.000 2.581 415 F HA 0.830 5.356 4.527 -0.001 0.000 0.311 415 F C -0.021 175.723 175.800 -0.092 0.000 1.113 415 F CA -0.023 57.787 58.000 -0.316 0.000 0.935 415 F CB 2.344 41.261 39.000 -0.138 0.000 1.232 415 F HN 1.336 nan 8.300 nan 0.000 0.445 416 S N 5.190 120.278 115.700 -1.019 0.000 2.564 416 S HA 0.800 5.270 4.470 -0.001 0.000 0.274 416 S C -1.904 172.267 174.600 -0.716 0.000 1.124 416 S CA -0.632 57.198 58.200 -0.616 0.000 0.869 416 S CB 2.168 65.368 63.200 0.000 0.000 1.105 416 S HN 0.811 nan 8.310 nan 0.000 0.472 417 F N 1.910 121.568 119.950 -0.487 0.000 2.671 417 F HA 0.733 5.260 4.527 -0.001 0.000 0.332 417 F C -1.126 174.653 175.800 -0.035 0.000 1.189 417 F CA -0.678 57.190 58.000 -0.220 0.000 0.988 417 F CB 1.327 40.291 39.000 -0.060 0.000 1.258 417 F HN 0.800 nan 8.300 nan 0.000 0.471 418 S N 3.816 119.475 115.700 -0.067 0.000 2.569 418 S HA 0.426 4.896 4.470 -0.001 0.000 0.280 418 S C -0.728 173.796 174.600 -0.128 0.000 1.111 418 S CA -1.220 56.896 58.200 -0.140 0.000 0.887 418 S CB 1.826 65.013 63.200 -0.023 0.000 1.095 418 S HN 0.662 nan 8.310 nan 0.000 0.476 419 N N 0.508 119.141 118.700 -0.110 0.000 2.714 419 N HA -0.145 4.594 4.740 -0.001 0.000 0.253 419 N C -0.904 174.611 175.510 0.007 0.000 1.024 419 N CA 0.568 53.602 53.050 -0.028 0.000 0.726 419 N CB -0.812 37.679 38.487 0.007 0.000 0.908 419 N HN 0.443 nan 8.380 nan 0.000 0.542 420 S N -0.323 115.357 115.700 -0.033 0.000 2.627 420 S HA 0.560 5.030 4.470 -0.001 0.000 0.283 420 S C -1.306 173.408 174.600 0.190 0.000 1.127 420 S CA -0.799 57.449 58.200 0.080 0.000 0.863 420 S CB 2.029 65.259 63.200 0.049 0.000 1.121 420 S HN 0.392 nan 8.310 nan 0.000 0.479 421 W N 3.130 124.488 121.300 0.098 0.000 2.532 421 W HA 0.669 5.329 4.660 -0.001 0.000 0.321 421 W C -2.289 174.344 176.519 0.190 0.000 1.037 421 W CA -0.719 56.703 57.345 0.128 0.000 1.220 421 W CB 0.481 29.996 29.460 0.092 0.000 1.361 421 W HN 0.505 nan 8.180 nan 0.000 0.468 422 I N 5.750 126.181 120.570 -0.232 0.000 2.465 422 I HA 0.570 4.740 4.170 -0.001 0.000 0.291 422 I C -0.238 175.560 176.117 -0.532 0.000 1.014 422 I CA -0.694 60.514 61.300 -0.155 0.000 1.093 422 I CB 1.761 39.828 38.000 0.111 0.000 1.267 422 I HN 0.462 nan 8.210 nan 0.000 0.431 423 A N 4.647 127.262 122.820 -0.343 0.000 2.398 423 A HA 0.859 5.179 4.320 -0.001 0.000 0.301 423 A C -0.367 176.970 177.584 -0.411 0.000 1.041 423 A CA -0.604 51.199 52.037 -0.390 0.000 0.711 423 A CB 1.448 20.294 19.000 -0.257 0.000 1.240 423 A HN 0.801 nan 8.150 nan 0.000 0.420 424 A N 1.734 124.058 122.820 -0.826 0.000 2.445 424 A HA 0.435 4.755 4.320 -0.001 0.000 0.242 424 A C 0.273 177.545 177.584 -0.520 0.000 1.075 424 A CA -0.020 51.382 52.037 -1.059 0.000 0.777 424 A CB 0.011 18.159 19.000 -1.421 0.000 1.013 424 A HN 0.834 nan 8.150 nan 0.000 0.493 425 D N 2.138 122.344 120.400 -0.322 0.000 2.412 425 D HA 0.238 4.878 4.640 -0.001 0.000 0.257 425 D C 1.226 177.423 176.300 -0.172 0.000 1.217 425 D CA 0.771 54.668 54.000 -0.172 0.000 0.897 425 D CB 0.933 41.755 40.800 0.037 0.000 1.132 425 D HN 0.511 nan 8.370 nan 0.000 0.493 426 A N 4.253 126.970 122.820 -0.172 0.000 2.125 426 A HA -0.154 4.166 4.320 -0.001 0.000 0.219 426 A C 1.500 179.049 177.584 -0.058 0.000 1.156 426 A CA 0.919 52.883 52.037 -0.122 0.000 0.671 426 A CB 0.065 19.005 19.000 -0.100 0.000 0.794 426 A HN 0.540 nan 8.150 nan 0.000 0.459 427 D N -0.053 120.337 120.400 -0.018 0.000 2.340 427 D HA 0.122 4.762 4.640 -0.001 0.000 0.220 427 D C 1.152 177.450 176.300 -0.004 0.000 1.039 427 D CA 0.623 54.623 54.000 0.000 0.000 0.866 427 D CB -0.214 40.603 40.800 0.027 0.000 0.913 427 D HN 0.386 nan 8.370 nan 0.000 0.523 428 G N 0.372 109.164 108.800 -0.014 0.000 2.554 428 G HA2 0.215 4.175 3.960 -0.001 0.000 0.238 428 G HA3 0.215 4.175 3.960 -0.001 0.000 0.238 428 G C 0.984 175.881 174.900 -0.005 0.000 1.259 428 G CA 0.158 45.257 45.100 -0.002 0.000 0.843 428 G HN 0.159 nan 8.290 nan 0.000 0.582 429 T N -2.141 112.416 114.554 0.005 0.000 3.040 429 T HA 0.287 4.636 4.350 -0.001 0.000 0.266 429 T C 0.350 175.053 174.700 0.004 0.000 1.005 429 T CA -0.219 61.880 62.100 -0.001 0.000 0.906 429 T CB 0.460 69.326 68.868 -0.003 0.000 1.082 429 T HN 0.383 nan 8.240 nan 0.000 0.531 430 E N 1.715 121.927 120.200 0.019 0.000 2.239 430 E HA 0.277 4.627 4.350 -0.001 0.000 0.261 430 E C -0.372 176.248 176.600 0.033 0.000 1.016 430 E CA -0.697 55.716 56.400 0.020 0.000 0.882 430 E CB 1.103 30.817 29.700 0.025 0.000 1.190 430 E HN 0.462 nan 8.360 nan 0.000 0.415 431 Q N 1.109 120.915 119.800 0.009 0.000 2.300 431 Q HA 0.059 4.398 4.340 -0.001 0.000 0.280 431 Q C -1.245 174.779 176.000 0.040 0.000 1.033 431 Q CA 0.136 55.938 55.803 -0.003 0.000 0.903 431 Q CB 0.224 28.933 28.738 -0.048 0.000 1.195 431 Q HN 0.334 nan 8.270 nan 0.000 0.386 432 F N 3.009 122.909 119.950 -0.082 0.000 2.436 432 F HA 0.420 4.947 4.527 -0.001 0.000 0.340 432 F C -0.918 174.835 175.800 -0.078 0.000 1.113 432 F CA -0.312 57.646 58.000 -0.071 0.000 1.022 432 F CB 1.917 40.877 39.000 -0.066 0.000 1.128 432 F HN 0.399 nan 8.300 nan 0.000 0.466 433 T N 5.130 119.067 114.554 -1.028 0.000 2.847 433 T HA 0.331 4.681 4.350 -0.001 0.000 0.291 433 T C 0.924 175.051 174.700 -0.956 0.000 0.998 433 T CA -0.218 61.461 62.100 -0.701 0.000 0.967 433 T CB 1.469 70.051 68.868 -0.476 0.000 0.954 433 T HN 0.828 nan 8.240 nan 0.000 0.441 434 G N 2.897 111.415 108.800 -0.471 0.000 2.480 434 G HA2 0.058 4.017 3.960 -0.001 0.000 0.216 434 G HA3 0.058 4.017 3.960 -0.001 0.000 0.216 434 G C 0.328 175.166 174.900 -0.103 0.000 1.200 434 G CA 0.688 45.701 45.100 -0.146 0.000 0.782 434 G HN 0.689 nan 8.290 nan 0.000 0.554 435 I N -1.166 119.361 120.570 -0.072 0.000 2.512 435 I HA 0.271 4.441 4.170 -0.001 0.000 0.287 435 I C -1.788 174.258 176.117 -0.118 0.000 1.069 435 I CA -0.986 60.248 61.300 -0.110 0.000 1.056 435 I CB 2.600 40.596 38.000 -0.008 0.000 1.229 435 I HN 0.003 nan 8.210 nan 0.000 0.429 436 Y N 7.341 127.391 120.300 -0.418 0.000 2.345 436 Y HA 0.499 5.048 4.550 -0.001 0.000 0.331 436 Y C -1.414 174.215 175.900 -0.452 0.000 0.959 436 Y CA -1.904 56.005 58.100 -0.319 0.000 1.204 436 Y CB 0.877 39.181 38.460 -0.260 0.000 1.135 436 Y HN 0.311 nan 8.280 nan 0.000 0.477 437 F N 6.115 126.061 119.950 -0.008 0.000 2.334 437 F HA 0.473 4.999 4.527 -0.001 0.000 0.365 437 F C 0.808 176.424 175.800 -0.307 0.000 1.124 437 F CA -0.405 57.470 58.000 -0.208 0.000 1.166 437 F CB 0.367 39.294 39.000 -0.121 0.000 1.355 437 F HN 0.310 nan 8.300 nan 0.000 0.532 438 R N 0.730 120.950 120.500 -0.467 0.000 2.679 438 R HA 0.203 4.543 4.340 -0.001 0.000 0.269 438 R C 0.259 176.443 176.300 -0.194 0.000 1.076 438 R CA -0.375 55.446 56.100 -0.465 0.000 1.160 438 R CB 0.572 30.505 30.300 -0.611 0.000 1.054 438 R HN 0.373 nan 8.270 nan 0.000 0.507 439 T N 5.007 119.485 114.554 -0.127 0.000 2.778 439 T HA 0.034 4.383 4.350 -0.001 0.000 0.282 439 T C -1.960 172.680 174.700 -0.099 0.000 0.983 439 T CA -0.666 61.382 62.100 -0.087 0.000 1.193 439 T CB 0.147 68.982 68.868 -0.055 0.000 0.938 439 T HN 0.378 nan 8.240 nan 0.000 0.523 440 P HA 0.232 nan 4.420 nan 0.000 0.277 440 P C 0.841 178.101 177.300 -0.065 0.000 1.271 440 P CA -0.452 62.594 63.100 -0.090 0.000 0.795 440 P CB 0.430 32.078 31.700 -0.087 0.000 1.101 441 T N -4.357 110.163 114.554 -0.056 0.000 3.105 441 T HA 0.288 4.637 4.350 -0.001 0.000 0.253 441 T C 0.421 175.103 174.700 -0.030 0.000 1.047 441 T CA -0.083 61.994 62.100 -0.038 0.000 0.944 441 T CB -0.693 68.156 68.868 -0.032 0.000 1.016 441 T HN 0.564 nan 8.240 nan 0.000 0.544 442 S N 0.525 116.206 115.700 -0.032 0.000 2.596 442 S HA 0.587 5.056 4.470 -0.001 0.000 0.270 442 S C -0.309 174.283 174.600 -0.014 0.000 1.155 442 S CA -0.736 57.452 58.200 -0.020 0.000 0.827 442 S CB 1.085 64.274 63.200 -0.019 0.000 1.130 442 S HN 0.470 nan 8.310 nan 0.000 0.467 443 T N 0.532 115.088 114.554 0.003 0.000 2.903 443 T HA 0.452 4.801 4.350 -0.001 0.000 0.314 443 T C -0.304 174.424 174.700 0.046 0.000 1.078 443 T CA -0.372 61.745 62.100 0.028 0.000 1.114 443 T CB 0.162 69.055 68.868 0.042 0.000 0.987 443 T HN 0.635 nan 8.240 nan 0.000 0.548 444 Q N 0.712 120.580 119.800 0.113 0.000 2.359 444 Q HA 0.678 5.018 4.340 -0.001 0.000 0.275 444 Q C -0.064 176.080 176.000 0.240 0.000 1.082 444 Q CA -0.759 55.136 55.803 0.154 0.000 0.849 444 Q CB 2.295 31.111 28.738 0.131 0.000 1.377 444 Q HN 1.020 nan 8.270 nan 0.000 0.452 445 S N -1.147 114.621 115.700 0.114 0.000 2.998 445 S HA 0.440 4.909 4.470 -0.001 0.000 0.321 445 S C -0.658 173.904 174.600 -0.063 0.000 1.171 445 S CA -0.762 57.387 58.200 -0.085 0.000 0.882 445 S CB 0.177 63.292 63.200 -0.141 0.000 1.301 445 S HN 0.738 nan 8.310 nan 0.000 0.629 446 H N 0.279 119.327 119.070 -0.037 0.000 2.928 446 H HA 0.618 5.174 4.556 -0.001 0.000 0.338 446 H C -0.785 174.589 175.328 0.076 0.000 1.047 446 H CA -0.016 56.062 56.048 0.051 0.000 1.435 446 H CB 0.091 29.990 29.762 0.229 0.000 1.428 446 H HN 0.551 nan 8.280 nan 0.000 0.590 447 K N 4.343 124.793 120.400 0.083 0.000 2.616 447 K HA 0.333 4.653 4.320 -0.001 0.000 0.241 447 K C -0.986 175.753 176.600 0.231 0.000 0.961 447 K CA -0.298 56.136 56.287 0.246 0.000 0.942 447 K CB 1.287 33.760 32.500 -0.045 0.000 1.153 447 K HN 0.572 nan 8.250 nan 0.000 0.452 448 I N 2.968 123.755 120.570 0.362 0.000 2.342 448 I HA 0.239 4.408 4.170 -0.001 0.000 0.291 448 I C -0.369 175.893 176.117 0.241 0.000 1.010 448 I CA -0.999 60.464 61.300 0.271 0.000 1.308 448 I CB 1.459 39.593 38.000 0.222 0.000 1.400 448 I HN 0.140 nan 8.210 nan 0.000 0.488 449 V N 5.313 125.356 119.914 0.214 0.000 2.409 449 V HA 0.395 4.515 4.120 -0.001 0.000 0.290 449 V C -0.280 175.848 176.094 0.057 0.000 1.017 449 V CA -0.348 62.061 62.300 0.182 0.000 0.841 449 V CB 1.502 33.497 31.823 0.287 0.000 1.003 449 V HN 0.760 nan 8.190 nan 0.000 0.426 450 S N 3.553 119.240 115.700 -0.021 0.000 2.614 450 S HA 0.665 5.134 4.470 -0.001 0.000 0.288 450 S C 0.470 175.029 174.600 -0.069 0.000 1.137 450 S CA 0.454 58.642 58.200 -0.021 0.000 0.992 450 S CB 1.316 64.519 63.200 0.005 0.000 1.026 450 S HN 2.086 nan 8.310 nan 0.000 0.486 451 G N 2.579 111.353 108.800 -0.043 0.000 2.225 451 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.264 451 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.264 451 G C -0.266 174.591 174.900 -0.071 0.000 1.060 451 G CA 0.188 45.267 45.100 -0.035 0.000 0.833 451 G HN 1.168 nan 8.290 nan 0.000 0.498 452 V N 1.341 121.190 119.914 -0.109 0.000 2.417 452 V HA 0.457 4.577 4.120 -0.001 0.000 0.291 452 V C 0.362 176.430 176.094 -0.043 0.000 1.024 452 V CA -1.175 61.036 62.300 -0.148 0.000 0.861 452 V CB 1.816 33.431 31.823 -0.346 0.000 0.985 452 V HN 0.460 nan 8.190 nan 0.000 0.436 453 H N 6.080 125.097 119.070 -0.088 0.000 2.594 453 H HA 0.517 5.072 4.556 -0.001 0.000 0.304 453 H C -1.035 174.134 175.328 -0.265 0.000 1.068 453 H CA -0.445 55.527 56.048 -0.126 0.000 1.308 453 H CB 1.118 30.855 29.762 -0.042 0.000 1.409 453 H HN 0.553 nan 8.280 nan 0.000 0.460 454 I N 5.294 125.600 120.570 -0.442 0.000 2.420 454 I HA 0.108 4.278 4.170 -0.001 0.000 0.282 454 I C -0.408 175.508 176.117 -0.335 0.000 1.019 454 I CA -0.779 60.350 61.300 -0.285 0.000 1.130 454 I CB 1.035 38.969 38.000 -0.110 0.000 1.262 454 I HN 0.414 nan 8.210 nan 0.000 0.454 455 N N 3.826 122.312 118.700 -0.356 0.000 2.426 455 N HA 0.297 5.037 4.740 -0.001 0.000 0.275 455 N C 0.792 176.151 175.510 -0.251 0.000 1.019 455 N CA -0.200 52.677 53.050 -0.288 0.000 0.941 455 N CB 1.752 40.048 38.487 -0.318 0.000 1.123 455 N HN 0.634 nan 8.380 nan 0.000 0.486 456 T N -2.334 112.122 114.554 -0.164 0.000 3.040 456 T HA 0.355 4.704 4.350 -0.001 0.000 0.266 456 T C 0.630 175.232 174.700 -0.162 0.000 1.005 456 T CA -0.485 61.553 62.100 -0.103 0.000 0.906 456 T CB 0.162 69.102 68.868 0.121 0.000 1.082 456 T HN 0.403 nan 8.240 nan 0.000 0.531 457 A N 2.945 125.663 122.820 -0.169 0.000 2.492 457 A HA 0.588 4.908 4.320 -0.001 0.000 0.254 457 A C 0.463 177.953 177.584 -0.156 0.000 1.091 457 A CA -0.368 51.592 52.037 -0.130 0.000 0.768 457 A CB -0.179 18.760 19.000 -0.101 0.000 1.028 457 A HN 0.778 nan 8.150 nan 0.000 0.498 458 N N 1.290 119.925 118.700 -0.109 0.000 3.522 458 N HA 0.246 4.985 4.740 -0.001 0.000 0.328 458 N C -0.635 174.840 175.510 -0.057 0.000 1.623 458 N CA -0.710 52.284 53.050 -0.093 0.000 0.812 458 N CB 0.424 38.850 38.487 -0.102 0.000 2.008 458 N HN 0.299 nan 8.380 nan 0.000 0.601 459 K N -0.611 119.764 120.400 -0.042 0.000 2.493 459 K HA 0.172 4.492 4.320 -0.001 0.000 0.207 459 K C -0.186 176.398 176.600 -0.027 0.000 1.033 459 K CA -0.326 55.943 56.287 -0.031 0.000 1.161 459 K CB -0.513 31.974 32.500 -0.022 0.000 0.873 459 K HN 0.401 nan 8.250 nan 0.000 0.491 460 N N 2.125 120.808 118.700 -0.029 0.000 2.427 460 N HA -0.061 4.679 4.740 -0.001 0.000 0.269 460 N C 0.974 176.461 175.510 -0.038 0.000 1.235 460 N CA 0.376 53.410 53.050 -0.028 0.000 0.934 460 N CB 1.011 39.482 38.487 -0.026 0.000 1.121 460 N HN 0.157 nan 8.380 nan 0.000 0.480 461 T N 0.718 115.252 114.554 -0.032 0.000 3.035 461 T HA 0.001 4.350 4.350 -0.001 0.000 0.268 461 T C 1.577 176.252 174.700 -0.042 0.000 1.109 461 T CA 0.685 62.764 62.100 -0.034 0.000 1.119 461 T CB -0.206 68.648 68.868 -0.024 0.000 0.900 461 T HN 0.418 nan 8.240 nan 0.000 0.503 462 A N 1.444 124.236 122.820 -0.046 0.000 2.172 462 A HA 0.579 4.898 4.320 -0.001 0.000 0.216 462 A C 1.899 179.427 177.584 -0.093 0.000 1.154 462 A CA 0.938 52.941 52.037 -0.057 0.000 0.701 462 A CB -1.211 17.759 19.000 -0.049 0.000 0.789 462 A HN 1.643 nan 8.150 nan 0.000 0.465 463 A N -0.089 122.668 122.820 -0.105 0.000 2.687 463 A HA -0.186 4.134 4.320 -0.001 0.000 0.299 463 A C 0.365 177.795 177.584 -0.256 0.000 1.497 463 A CA 1.211 53.159 52.037 -0.148 0.000 0.751 463 A CB -2.339 16.589 19.000 -0.120 0.000 1.048 463 A HN 1.358 nan 8.150 nan 0.000 0.464 464 N N -1.017 117.521 118.700 -0.271 0.000 2.377 464 N HA 0.135 4.874 4.740 -0.001 0.000 0.259 464 N C -0.480 174.803 175.510 -0.379 0.000 1.332 464 N CA -0.398 52.380 53.050 -0.453 0.000 0.877 464 N CB -0.271 38.028 38.487 -0.312 0.000 1.299 464 N HN 0.346 nan 8.380 nan 0.000 0.501 465 N N 1.911 120.456 118.700 -0.257 0.000 2.479 465 N HA 0.102 4.842 4.740 -0.001 0.000 0.257 465 N C -0.002 175.394 175.510 -0.189 0.000 1.232 465 N CA 0.298 53.271 53.050 -0.128 0.000 0.920 465 N CB 0.638 39.114 38.487 -0.018 0.000 1.105 465 N HN 0.548 nan 8.380 nan 0.000 0.444 466 Q N -1.209 118.556 119.800 -0.057 0.000 2.391 466 Q HA 0.468 4.808 4.340 -0.001 0.000 0.279 466 Q C -0.548 175.487 176.000 0.059 0.000 1.028 466 Q CA -0.793 55.019 55.803 0.016 0.000 0.836 466 Q CB 1.021 29.862 28.738 0.172 0.000 1.414 466 Q HN 0.257 nan 8.270 nan 0.000 0.397 467 S N 0.908 116.660 115.700 0.087 0.000 2.362 467 S HA 0.207 4.677 4.470 -0.001 0.000 0.221 467 S C 0.626 175.279 174.600 0.088 0.000 1.032 467 S CA 0.642 58.884 58.200 0.071 0.000 0.973 467 S CB 0.031 63.246 63.200 0.025 0.000 0.849 467 S HN 0.543 nan 8.310 nan 0.000 0.465 468 I N 0.544 121.204 120.570 0.150 0.000 2.569 468 I HA 0.547 4.716 4.170 -0.001 0.000 0.290 468 I C -0.954 175.297 176.117 0.222 0.000 1.088 468 I CA -0.743 60.681 61.300 0.207 0.000 1.047 468 I CB 2.062 40.254 38.000 0.319 0.000 1.237 468 I HN 0.051 nan 8.210 nan 0.000 0.421 469 A N 7.619 130.567 122.820 0.213 0.000 2.318 469 A HA 0.870 5.189 4.320 -0.001 0.000 0.317 469 A C -0.811 176.966 177.584 0.322 0.000 1.159 469 A CA -0.419 51.744 52.037 0.210 0.000 0.799 469 A CB 0.827 19.885 19.000 0.096 0.000 1.194 469 A HN 0.676 nan 8.150 nan 0.000 0.479 470 I N 2.526 123.242 120.570 0.243 0.000 2.410 470 I HA 0.291 4.461 4.170 -0.001 0.000 0.286 470 I C 0.047 176.239 176.117 0.126 0.000 1.009 470 I CA -0.174 61.253 61.300 0.212 0.000 1.111 470 I CB 1.814 39.903 38.000 0.148 0.000 1.262 470 I HN 0.741 nan 8.210 nan 0.000 0.443 471 E N 4.304 124.572 120.200 0.114 0.000 2.254 471 E HA 0.246 4.596 4.350 -0.001 0.000 0.261 471 E C -0.444 176.155 176.600 -0.002 0.000 1.051 471 E CA -0.880 55.556 56.400 0.061 0.000 0.902 471 E CB 1.112 30.856 29.700 0.072 0.000 1.168 471 E HN 0.481 nan 8.360 nan 0.000 0.423 472 Q N 0.419 120.211 119.800 -0.014 0.000 2.304 472 Q HA -0.115 4.224 4.340 -0.001 0.000 0.301 472 Q C -0.449 175.512 176.000 -0.065 0.000 1.063 472 Q CA 1.061 56.839 55.803 -0.042 0.000 0.947 472 Q CB 0.196 28.913 28.738 -0.035 0.000 1.201 472 Q HN 0.675 nan 8.270 nan 0.000 0.389 473 S N 0.632 116.275 115.700 -0.095 0.000 2.691 473 S HA -0.242 4.228 4.470 -0.001 0.000 0.262 473 S C 0.114 174.618 174.600 -0.160 0.000 1.284 473 S CA 0.814 58.939 58.200 -0.124 0.000 1.372 473 S CB -1.468 61.677 63.200 -0.093 0.000 1.693 473 S HN 0.922 nan 8.310 nan 0.000 0.647 474 A N 1.375 124.105 122.820 -0.150 0.000 3.077 474 A HA 0.554 4.873 4.320 -0.001 0.000 0.255 474 A C 0.621 178.029 177.584 -0.294 0.000 1.728 474 A CA -0.304 51.619 52.037 -0.190 0.000 1.383 474 A CB -0.999 17.933 19.000 -0.113 0.000 1.097 474 A HN 0.751 nan 8.150 nan 0.000 0.634 475 I N -4.264 116.079 120.570 -0.378 0.000 3.156 475 I HA 0.617 4.787 4.170 -0.001 0.000 0.306 475 I C -0.006 175.741 176.117 -0.616 0.000 1.048 475 I CA -0.714 60.251 61.300 -0.557 0.000 1.207 475 I CB 0.055 37.594 38.000 -0.767 0.000 1.456 475 I HN 0.333 nan 8.210 nan 0.000 0.616 476 F N 0.522 120.242 119.950 -0.382 0.000 3.040 476 F HA -0.130 4.396 4.527 -0.001 0.000 0.298 476 F C -0.362 174.712 175.800 -1.209 0.000 0.948 476 F CA -0.093 57.437 58.000 -0.784 0.000 1.022 476 F CB -2.344 36.409 39.000 -0.411 0.000 1.023 476 F HN 0.244 nan 8.300 nan 0.000 0.742 477 V N 1.774 121.159 119.914 -0.882 0.000 2.328 477 V HA 0.465 4.585 4.120 -0.001 0.000 0.278 477 V C -0.015 175.724 176.094 -0.592 0.000 1.021 477 V CA -0.482 61.335 62.300 -0.805 0.000 0.838 477 V CB 1.133 32.487 31.823 -0.782 0.000 0.999 477 V HN 0.124 nan 8.190 nan 0.000 0.447 478 F N 4.467 124.331 119.950 -0.143 0.000 2.366 478 F HA 0.558 5.085 4.527 -0.001 0.000 0.366 478 F C -0.014 175.702 175.800 -0.140 0.000 1.096 478 F CA -1.114 56.808 58.000 -0.131 0.000 1.060 478 F CB 1.492 40.472 39.000 -0.034 0.000 1.282 478 F HN 0.153 nan 8.300 nan 0.000 0.450 479 V N 2.811 122.654 119.914 -0.118 0.000 2.435 479 V HA 0.768 4.887 4.120 -0.001 0.000 0.290 479 V C -0.250 175.835 176.094 -0.015 0.000 1.030 479 V CA -0.606 61.624 62.300 -0.117 0.000 0.881 479 V CB 1.646 33.266 31.823 -0.338 0.000 0.983 479 V HN 0.766 nan 8.190 nan 0.000 0.445 480 S N 1.977 117.703 115.700 0.043 0.000 2.536 480 S HA 0.709 5.179 4.470 -0.001 0.000 0.271 480 S C 0.374 175.005 174.600 0.052 0.000 1.134 480 S CA -0.097 58.141 58.200 0.064 0.000 0.897 480 S CB 1.702 64.932 63.200 0.050 0.000 1.094 480 S HN 2.174 nan 8.310 nan 0.000 0.473 481 G N 0.474 109.313 108.800 0.065 0.000 2.249 481 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.273 481 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.273 481 G C 0.264 175.180 174.900 0.027 0.000 1.036 481 G CA 0.141 45.270 45.100 0.048 0.000 0.824 481 G HN 1.061 nan 8.290 nan 0.000 0.504 482 C N -0.405 118.905 119.300 0.016 0.000 2.399 482 C HA 0.833 5.293 4.460 -0.001 0.000 0.348 482 C C 0.719 175.662 174.990 -0.078 0.000 1.183 482 C CA -0.291 58.709 59.018 -0.031 0.000 2.023 482 C CB 1.696 29.415 27.740 -0.034 0.000 2.361 482 C HN 0.517 nan 8.230 nan 0.000 0.521 483 T N 3.209 117.684 114.554 -0.132 0.000 2.770 483 T HA 0.601 4.950 4.350 -0.001 0.000 0.283 483 T C -0.766 173.734 174.700 -0.333 0.000 0.988 483 T CA -0.145 61.820 62.100 -0.225 0.000 0.957 483 T CB 0.333 69.061 68.868 -0.233 0.000 0.930 483 T HN 0.396 nan 8.240 nan 0.000 0.443 484 L N 3.907 124.950 121.223 -0.300 0.000 2.376 484 L HA 0.604 4.944 4.340 -0.001 0.000 0.275 484 L C 0.660 177.435 176.870 -0.157 0.000 0.987 484 L CA -0.883 53.794 54.840 -0.271 0.000 0.828 484 L CB 1.947 43.739 42.059 -0.447 0.000 1.249 484 L HN 0.704 nan 8.230 nan 0.000 0.409 485 T N -0.650 113.832 114.554 -0.120 0.000 2.938 485 T HA 0.980 5.330 4.350 -0.001 0.000 0.285 485 T C 0.010 174.701 174.700 -0.016 0.000 1.028 485 T CA -0.469 61.595 62.100 -0.061 0.000 1.005 485 T CB 2.548 71.358 68.868 -0.096 0.000 1.157 485 T HN 0.796 nan 8.240 nan 0.000 0.550 486 G N -0.384 108.402 108.800 -0.022 0.000 2.428 486 G HA2 0.479 4.438 3.960 -0.001 0.000 0.304 486 G HA3 0.479 4.438 3.960 -0.001 0.000 0.304 486 G C -1.135 173.707 174.900 -0.097 0.000 1.303 486 G CA -0.495 44.573 45.100 -0.053 0.000 0.825 486 G HN 0.602 nan 8.290 nan 0.000 0.484 487 D N -0.527 119.758 120.400 -0.193 0.000 2.685 487 D HA 0.123 4.762 4.640 -0.001 0.000 0.257 487 D C 1.793 177.958 176.300 -0.224 0.000 1.472 487 D CA 0.473 54.351 54.000 -0.203 0.000 1.125 487 D CB -0.139 40.513 40.800 -0.246 0.000 0.969 487 D HN 0.495 nan 8.370 nan 0.000 0.281 488 E N -0.697 119.269 120.200 -0.390 0.000 2.106 488 E HA -0.064 4.286 4.350 -0.001 0.000 0.192 488 E C -0.213 176.364 176.600 -0.039 0.000 0.984 488 E CA 0.678 56.918 56.400 -0.266 0.000 0.806 488 E CB 0.278 29.748 29.700 -0.385 0.000 0.750 488 E HN 0.279 nan 8.360 nan 0.000 0.458 489 W N -3.042 118.253 121.300 -0.008 0.000 3.083 489 W HA 0.695 5.355 4.660 -0.001 0.000 0.333 489 W C 0.006 176.534 176.519 0.014 0.000 1.217 489 W CA -0.298 57.043 57.345 -0.007 0.000 1.170 489 W CB 0.669 30.113 29.460 -0.028 0.000 1.437 489 W HN -0.258 nan 8.180 nan 0.000 0.557 490 A N 0.697 123.710 122.820 0.322 0.000 1.984 490 A HA 0.482 4.801 4.320 -0.001 0.000 0.214 490 A C -0.044 177.724 177.584 0.306 0.000 1.173 490 A CA 0.896 53.076 52.037 0.238 0.000 0.673 490 A CB -0.187 18.951 19.000 0.230 0.000 0.830 490 A HN 0.509 nan 8.150 nan 0.000 0.453 491 V N 0.576 120.698 119.914 0.347 0.000 2.760 491 V HA 0.426 4.546 4.120 -0.001 0.000 0.309 491 V C -1.446 174.649 176.094 0.001 0.000 1.077 491 V CA -0.870 61.553 62.300 0.206 0.000 0.910 491 V CB 1.833 33.720 31.823 0.107 0.000 1.008 491 V HN 0.429 nan 8.190 nan 0.000 0.424 492 N N 3.570 122.219 118.700 -0.084 0.000 2.399 492 N HA 0.657 5.397 4.740 -0.001 0.000 0.284 492 N C -1.414 174.015 175.510 -0.136 0.000 1.025 492 N CA -0.355 52.464 53.050 -0.385 0.000 0.885 492 N CB 1.442 39.474 38.487 -0.758 0.000 1.339 492 N HN 0.638 nan 8.380 nan 0.000 0.487 493 I N 2.862 123.359 120.570 -0.122 0.000 2.418 493 I HA 0.426 4.596 4.170 -0.001 0.000 0.287 493 I C -0.796 175.319 176.117 -0.004 0.000 1.008 493 I CA -1.022 60.287 61.300 0.015 0.000 1.104 493 I CB 1.871 39.947 38.000 0.127 0.000 1.264 493 I HN 0.118 nan 8.210 nan 0.000 0.438 494 V N 4.847 124.759 119.914 -0.003 0.000 2.483 494 V HA 0.322 4.442 4.120 -0.001 0.000 0.297 494 V C -0.244 175.841 176.094 -0.016 0.000 1.027 494 V CA -0.572 61.715 62.300 -0.022 0.000 0.855 494 V CB 1.545 33.348 31.823 -0.034 0.000 0.995 494 V HN 0.831 nan 8.190 nan 0.000 0.424 495 D N 2.692 123.078 120.400 -0.024 0.000 2.723 495 D HA -0.149 4.491 4.640 -0.001 0.000 0.236 495 D C -0.240 176.032 176.300 -0.046 0.000 1.138 495 D CA 0.771 54.749 54.000 -0.037 0.000 0.676 495 D CB -0.254 40.525 40.800 -0.036 0.000 1.069 495 D HN 0.243 nan 8.370 nan 0.000 0.430 496 I N 0.681 121.227 120.570 -0.039 0.000 2.377 496 I HA 0.146 4.316 4.170 -0.001 0.000 0.293 496 I C 1.395 177.472 176.117 -0.067 0.000 0.987 496 I CA -0.165 61.102 61.300 -0.055 0.000 1.185 496 I CB 1.445 39.429 38.000 -0.026 0.000 1.341 496 I HN -0.087 nan 8.210 nan 0.000 0.455 497 N N 4.335 122.984 118.700 -0.086 0.000 2.250 497 N HA 0.073 4.813 4.740 -0.001 0.000 0.190 497 N C -0.393 175.071 175.510 -0.077 0.000 1.116 497 N CA -0.115 52.883 53.050 -0.086 0.000 0.881 497 N CB 0.876 39.313 38.487 -0.084 0.000 1.006 497 N HN 0.689 nan 8.380 nan 0.000 0.491 498 E N -1.445 118.704 120.200 -0.085 0.000 2.416 498 E HA 0.299 4.649 4.350 -0.001 0.000 0.280 498 E C -0.849 175.706 176.600 -0.075 0.000 1.055 498 E CA -0.866 55.497 56.400 -0.061 0.000 0.825 498 E CB 1.336 31.004 29.700 -0.054 0.000 1.312 498 E HN -0.007 nan 8.360 nan 0.000 0.452 499 C N 0.189 119.503 119.300 0.023 0.000 4.350 499 C HA -0.066 4.394 4.460 -0.001 0.000 0.302 499 C C 0.058 175.079 174.990 0.051 0.000 1.390 499 C CA 0.491 59.586 59.018 0.129 0.000 2.016 499 C CB -2.793 25.014 27.740 0.111 0.000 1.271 499 C HN 0.462 nan 8.230 nan 0.000 0.760 500 V N 1.179 121.120 119.914 0.044 0.000 2.604 500 V HA 0.855 4.975 4.120 -0.001 0.000 0.305 500 V C 0.174 176.321 176.094 0.088 0.000 1.043 500 V CA 0.376 62.680 62.300 0.007 0.000 0.888 500 V CB 2.471 34.300 31.823 0.009 0.000 0.995 500 V HN 0.662 nan 8.190 nan 0.000 0.429 501 S N 3.626 119.318 115.700 -0.013 0.000 2.556 501 S HA 0.852 5.322 4.470 -0.001 0.000 0.271 501 S C -1.395 173.010 174.600 -0.325 0.000 1.135 501 S CA -0.674 57.541 58.200 0.024 0.000 0.858 501 S CB 1.889 65.162 63.200 0.122 0.000 1.114 501 S HN 0.306 nan 8.310 nan 0.000 0.468 502 F N 0.494 120.550 119.950 0.178 0.000 2.536 502 F HA 0.560 5.087 4.527 -0.001 0.000 0.322 502 F C -0.684 175.220 175.800 0.173 0.000 1.144 502 F CA -0.418 57.702 58.000 0.199 0.000 0.924 502 F CB 2.128 41.310 39.000 0.304 0.000 1.181 502 F HN 0.587 nan 8.300 nan 0.000 0.438 503 D N 2.569 123.121 120.400 0.253 0.000 2.757 503 D HA 0.463 5.103 4.640 -0.001 0.000 0.249 503 D C -0.761 175.645 176.300 0.176 0.000 1.168 503 D CA -0.777 53.333 54.000 0.184 0.000 0.870 503 D CB 1.552 42.412 40.800 0.100 0.000 1.411 503 D HN 0.302 nan 8.370 nan 0.000 0.525 504 K N 0.068 120.575 120.400 0.179 0.000 3.077 504 K HA -0.159 4.160 4.320 -0.001 0.000 0.264 504 K C -1.009 175.688 176.600 0.162 0.000 1.008 504 K CA 0.328 56.708 56.287 0.155 0.000 0.740 504 K CB -1.760 30.802 32.500 0.104 0.000 1.273 504 K HN 0.453 nan 8.250 nan 0.000 0.477 505 C N -0.039 119.397 119.300 0.227 0.000 2.365 505 C HA 0.661 5.121 4.460 -0.001 0.000 0.349 505 C C 0.725 175.836 174.990 0.202 0.000 1.191 505 C CA -0.971 58.139 59.018 0.154 0.000 2.114 505 C CB 0.506 28.326 27.740 0.134 0.000 2.367 505 C HN 0.397 nan 8.230 nan 0.000 0.530 506 I N 2.356 122.967 120.570 0.068 0.000 2.355 506 I HA 0.377 4.546 4.170 -0.001 0.000 0.288 506 I C -0.747 175.404 176.117 0.057 0.000 0.999 506 I CA 0.104 61.501 61.300 0.161 0.000 1.163 506 I CB 0.498 38.526 38.000 0.047 0.000 1.316 506 I HN 0.418 nan 8.210 nan 0.000 0.454 507 F N 4.158 124.200 119.950 0.153 0.000 2.422 507 F HA 0.302 4.828 4.527 -0.001 0.000 0.333 507 F C 1.269 177.142 175.800 0.122 0.000 1.095 507 F CA -0.575 57.478 58.000 0.088 0.000 1.038 507 F CB 1.251 40.275 39.000 0.040 0.000 1.156 507 F HN 0.545 nan 8.300 nan 0.000 0.483 508 N N 0.231 119.067 118.700 0.227 0.000 2.197 508 N HA 0.125 4.865 4.740 -0.001 0.000 0.201 508 N C -0.190 175.399 175.510 0.133 0.000 1.148 508 N CA -0.078 53.069 53.050 0.162 0.000 0.883 508 N CB 0.570 39.106 38.487 0.082 0.000 1.012 508 N HN 0.225 nan 8.380 nan 0.000 0.507 509 K N 0.495 120.994 120.400 0.166 0.000 2.495 509 K HA 0.474 4.793 4.320 -0.001 0.000 0.268 509 K C -2.925 173.771 176.600 0.160 0.000 1.008 509 K CA -2.048 54.315 56.287 0.126 0.000 0.882 509 K CB 1.562 34.110 32.500 0.080 0.000 1.443 509 K HN -0.192 nan 8.250 nan 0.000 0.447 510 P HA 0.036 nan 4.420 nan 0.000 0.267 510 P C -0.504 176.801 177.300 0.008 0.000 1.200 510 P CA -0.435 62.676 63.100 0.019 0.000 0.772 510 P CB 0.357 32.082 31.700 0.041 0.000 0.855 511 L N 3.664 124.726 121.223 -0.269 0.000 2.278 511 L HA 0.326 4.666 4.340 -0.001 0.000 0.287 511 L C 0.206 176.808 176.870 -0.447 0.000 1.072 511 L CA 0.025 54.617 54.840 -0.412 0.000 0.819 511 L CB -0.263 41.337 42.059 -0.765 0.000 1.176 511 L HN 0.246 nan 8.230 nan 0.000 0.435 512 R N 4.198 124.448 120.500 -0.417 0.000 2.445 512 R HA 0.478 4.818 4.340 -0.001 0.000 0.308 512 R C -1.672 174.349 176.300 -0.465 0.000 0.961 512 R CA -0.547 55.301 56.100 -0.418 0.000 0.862 512 R CB 0.901 30.934 30.300 -0.444 0.000 1.144 512 R HN 0.609 nan 8.270 nan 0.000 0.447 513 Y N 3.926 124.139 120.300 -0.145 0.000 2.393 513 Y HA 0.428 4.977 4.550 -0.001 0.000 0.341 513 Y C -0.569 175.252 175.900 -0.130 0.000 0.988 513 Y CA -1.093 56.936 58.100 -0.118 0.000 1.078 513 Y CB 1.843 40.261 38.460 -0.070 0.000 1.203 513 Y HN 0.388 nan 8.280 nan 0.000 0.453 514 L N 4.516 125.760 121.223 0.034 0.000 2.372 514 L HA 0.565 4.904 4.340 -0.001 0.000 0.274 514 L C -0.035 176.825 176.870 -0.016 0.000 0.988 514 L CA -0.871 53.955 54.840 -0.023 0.000 0.833 514 L CB 0.920 42.930 42.059 -0.081 0.000 1.236 514 L HN 0.727 nan 8.230 nan 0.000 0.410 515 R N 2.507 122.990 120.500 -0.029 0.000 3.322 515 R HA -0.158 4.182 4.340 -0.001 0.000 0.253 515 R C -0.480 175.785 176.300 -0.058 0.000 0.987 515 R CA 0.929 56.999 56.100 -0.050 0.000 0.666 515 R CB -1.936 28.336 30.300 -0.046 0.000 1.072 515 R HN 0.671 nan 8.270 nan 0.000 0.447 516 S N -1.367 114.292 115.700 -0.069 0.000 2.599 516 S HA 0.896 5.365 4.470 -0.001 0.000 0.294 516 S C 0.242 174.721 174.600 -0.203 0.000 1.094 516 S CA -0.201 57.947 58.200 -0.087 0.000 0.931 516 S CB 2.499 65.713 63.200 0.022 0.000 1.093 516 S HN 0.509 nan 8.310 nan 0.000 0.488 517 G N -0.876 107.816 108.800 -0.180 0.000 2.645 517 G HA2 0.565 4.525 3.960 -0.001 0.000 0.292 517 G HA3 0.565 4.525 3.960 -0.001 0.000 0.292 517 G C 0.352 175.171 174.900 -0.134 0.000 1.415 517 G CA 0.092 45.063 45.100 -0.214 0.000 0.785 517 G HN 1.567 nan 8.290 nan 0.000 0.483 518 G N -1.889 106.844 108.800 -0.112 0.000 2.155 518 G HA2 -0.074 3.885 3.960 -0.001 0.000 0.257 518 G HA3 -0.074 3.885 3.960 -0.001 0.000 0.257 518 G C 0.303 175.188 174.900 -0.025 0.000 0.983 518 G CA 0.522 45.590 45.100 -0.053 0.000 0.676 518 G HN 1.452 nan 8.290 nan 0.000 0.528 519 V N 0.925 120.815 119.914 -0.041 0.000 2.498 519 V HA 0.600 4.719 4.120 -0.001 0.000 0.279 519 V C 0.683 176.773 176.094 -0.006 0.000 1.048 519 V CA -0.025 62.312 62.300 0.062 0.000 0.967 519 V CB 1.714 33.675 31.823 0.230 0.000 0.988 519 V HN 0.324 nan 8.190 nan 0.000 0.473 520 S N 3.419 119.156 115.700 0.062 0.000 2.475 520 S HA 0.668 5.138 4.470 -0.001 0.000 0.298 520 S C -0.475 174.194 174.600 0.115 0.000 1.119 520 S CA -0.527 57.682 58.200 0.015 0.000 1.085 520 S CB 1.701 64.922 63.200 0.035 0.000 1.028 520 S HN 0.470 nan 8.310 nan 0.000 0.489 521 V N 3.518 123.461 119.914 0.048 0.000 2.380 521 V HA 0.451 4.570 4.120 -0.001 0.000 0.286 521 V C -0.417 175.790 176.094 0.188 0.000 1.015 521 V CA -0.521 61.897 62.300 0.196 0.000 0.834 521 V CB 1.585 33.532 31.823 0.208 0.000 1.009 521 V HN 0.894 nan 8.190 nan 0.000 0.428 522 T N 3.349 118.020 114.554 0.195 0.000 2.809 522 T HA 0.375 4.725 4.350 -0.001 0.000 0.284 522 T C -0.236 174.561 174.700 0.161 0.000 0.992 522 T CA -0.346 61.843 62.100 0.149 0.000 0.957 522 T CB 0.909 69.841 68.868 0.105 0.000 0.942 522 T HN 0.768 nan 8.240 nan 0.000 0.439 523 D N 0.900 121.386 120.400 0.144 0.000 2.708 523 D HA -0.149 4.491 4.640 -0.001 0.000 0.236 523 D C -0.044 176.368 176.300 0.187 0.000 1.146 523 D CA 0.497 54.581 54.000 0.140 0.000 0.662 523 D CB -1.583 39.284 40.800 0.112 0.000 1.059 523 D HN 0.473 nan 8.370 nan 0.000 0.428 524 C N 0.288 119.721 119.300 0.222 0.000 2.364 524 C HA 0.407 4.866 4.460 -0.001 0.000 0.356 524 C C 0.713 175.867 174.990 0.273 0.000 1.201 524 C CA -0.863 58.334 59.018 0.297 0.000 2.227 524 C CB 0.569 28.541 27.740 0.387 0.000 2.387 524 C HN 0.354 nan 8.230 nan 0.000 0.546 525 Y N 2.790 123.217 120.300 0.212 0.000 2.477 525 Y HA 0.558 5.108 4.550 -0.001 0.000 0.349 525 Y C -0.203 175.818 175.900 0.203 0.000 0.977 525 Y CA -0.093 58.108 58.100 0.167 0.000 1.214 525 Y CB 0.046 38.591 38.460 0.142 0.000 1.124 525 Y HN 0.524 nan 8.280 nan 0.000 0.521 526 L N 5.359 126.481 121.223 -0.167 0.000 2.360 526 L HA 0.696 5.035 4.340 -0.001 0.000 0.271 526 L C 0.138 176.905 176.870 -0.172 0.000 1.057 526 L CA -0.919 53.805 54.840 -0.194 0.000 0.803 526 L CB 1.542 43.438 42.059 -0.271 0.000 1.207 526 L HN 0.732 nan 8.230 nan 0.000 0.445 527 A N 1.896 124.663 122.820 -0.089 0.000 3.308 527 A HA 0.662 4.981 4.320 -0.001 0.000 0.275 527 A C 0.102 177.651 177.584 -0.058 0.000 0.950 527 A CA 0.099 52.123 52.037 -0.022 0.000 0.987 527 A CB 0.236 19.302 19.000 0.110 0.000 1.146 527 A HN 0.946 nan 8.150 nan 0.000 0.488 528 G N -0.171 108.555 108.800 -0.122 0.000 2.742 528 G HA2 0.152 4.112 3.960 -0.001 0.000 0.686 528 G HA3 0.152 4.112 3.960 -0.001 0.000 0.686 528 G C -1.057 173.742 174.900 -0.167 0.000 1.220 528 G CA -0.661 44.376 45.100 -0.105 0.000 0.783 528 G HN 0.717 nan 8.290 nan 0.000 0.646 529 I N 1.192 121.686 120.570 -0.127 0.000 2.466 529 I HA 0.498 4.668 4.170 -0.001 0.000 0.289 529 I C 0.042 176.125 176.117 -0.057 0.000 1.026 529 I CA -0.763 60.460 61.300 -0.129 0.000 1.078 529 I CB 2.597 40.547 38.000 -0.082 0.000 1.249 529 I HN 0.465 nan 8.210 nan 0.000 0.429 530 T N 4.848 119.362 114.554 -0.067 0.000 2.893 530 T HA 0.232 4.581 4.350 -0.001 0.000 0.324 530 T C -0.417 174.296 174.700 0.022 0.000 1.082 530 T CA -0.430 61.661 62.100 -0.015 0.000 0.983 530 T CB 0.537 69.401 68.868 -0.007 0.000 1.005 530 T HN 0.517 nan 8.240 nan 0.000 0.475 531 E N 3.304 123.552 120.200 0.081 0.000 2.113 531 E HA 0.512 4.862 4.350 -0.001 0.000 0.273 531 E C -1.113 175.523 176.600 0.061 0.000 0.924 531 E CA -0.632 55.857 56.400 0.149 0.000 0.764 531 E CB 0.759 30.550 29.700 0.152 0.000 1.104 531 E HN 0.296 nan 8.360 nan 0.000 0.406 532 V N 5.155 125.097 119.914 0.047 0.000 2.540 532 V HA 0.180 4.299 4.120 -0.001 0.000 0.302 532 V C -0.194 175.896 176.094 -0.007 0.000 1.035 532 V CA -0.719 61.584 62.300 0.006 0.000 0.873 532 V CB 1.493 33.306 31.823 -0.017 0.000 0.992 532 V HN 0.919 nan 8.190 nan 0.000 0.428 533 Q N 1.260 121.050 119.800 -0.016 0.000 2.452 533 Q HA -0.223 4.117 4.340 -0.001 0.000 0.318 533 Q C 0.293 176.266 176.000 -0.046 0.000 1.386 533 Q CA 0.724 56.510 55.803 -0.028 0.000 0.872 533 Q CB -0.689 28.032 28.738 -0.029 0.000 1.151 533 Q HN 0.758 nan 8.270 nan 0.000 0.417 534 K N 1.732 122.101 120.400 -0.052 0.000 2.436 534 K HA 0.130 4.450 4.320 -0.001 0.000 0.282 534 K C -2.194 174.341 176.600 -0.108 0.000 1.044 534 K CA -1.115 55.118 56.287 -0.091 0.000 1.028 534 K CB 0.532 32.978 32.500 -0.089 0.000 0.919 534 K HN -0.056 nan 8.250 nan 0.000 0.474 535 P HA 0.013 nan 4.420 nan 0.000 0.276 535 P C -0.916 176.271 177.300 -0.189 0.000 1.230 535 P CA -0.255 62.760 63.100 -0.142 0.000 0.776 535 P CB 0.726 32.339 31.700 -0.146 0.000 0.888 536 E N 1.893 122.008 120.200 -0.142 0.000 2.414 536 E HA 0.197 4.547 4.350 -0.001 0.000 0.263 536 E C 1.025 177.499 176.600 -0.210 0.000 1.000 536 E CA 0.646 56.960 56.400 -0.144 0.000 0.914 536 E CB -0.339 29.316 29.700 -0.076 0.000 0.948 536 E HN 0.763 nan 8.360 nan 0.000 0.444 537 G N 4.037 112.669 108.800 -0.279 0.000 2.168 537 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.263 537 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.263 537 G C 0.029 174.574 174.900 -0.592 0.000 0.977 537 G CA 0.538 45.458 45.100 -0.299 0.000 0.659 537 G HN 0.558 nan 8.290 nan 0.000 0.533 538 R N -0.944 119.059 120.500 -0.827 0.000 2.670 538 R HA 0.706 5.046 4.340 -0.001 0.000 0.289 538 R C -1.157 174.577 176.300 -0.943 0.000 0.965 538 R CA -0.717 54.970 56.100 -0.689 0.000 0.899 538 R CB 1.463 31.557 30.300 -0.344 0.000 1.173 538 R HN 0.203 nan 8.270 nan 0.000 0.456 539 Y N -0.096 120.143 120.300 -0.102 0.000 2.588 539 Y HA 0.374 4.924 4.550 -0.001 0.000 0.343 539 Y C -0.023 175.777 175.900 -0.166 0.000 1.065 539 Y CA -1.211 56.819 58.100 -0.117 0.000 1.038 539 Y CB 1.732 40.148 38.460 -0.073 0.000 1.297 539 Y HN 0.416 nan 8.280 nan 0.000 0.467 540 N N -0.088 118.580 118.700 -0.055 0.000 2.443 540 N HA 0.480 5.220 4.740 -0.001 0.000 0.293 540 N C -1.152 174.211 175.510 -0.246 0.000 1.159 540 N CA -0.493 52.412 53.050 -0.242 0.000 0.904 540 N CB 1.792 39.997 38.487 -0.469 0.000 1.214 540 N HN 0.523 nan 8.380 nan 0.000 0.513 541 T N 1.781 116.137 114.554 -0.331 0.000 2.788 541 T HA 0.383 4.732 4.350 -0.001 0.000 0.296 541 T C -0.825 173.667 174.700 -0.345 0.000 1.009 541 T CA -0.293 61.679 62.100 -0.213 0.000 0.949 541 T CB -0.171 68.644 68.868 -0.088 0.000 0.946 541 T HN 0.200 nan 8.240 nan 0.000 0.453 542 Y N 2.402 122.724 120.300 0.036 0.000 2.341 542 Y HA 0.566 5.116 4.550 -0.001 0.000 0.337 542 Y C 0.904 176.821 175.900 0.027 0.000 1.014 542 Y CA -1.121 57.004 58.100 0.042 0.000 1.111 542 Y CB 1.257 39.735 38.460 0.031 0.000 1.194 542 Y HN 0.313 nan 8.280 nan 0.000 0.462 543 R N 2.257 122.861 120.500 0.172 0.000 2.435 543 R HA 0.515 4.855 4.340 -0.001 0.000 0.308 543 R C 0.476 176.834 176.300 0.097 0.000 0.975 543 R CA -0.202 55.958 56.100 0.100 0.000 0.867 543 R CB 1.611 31.952 30.300 0.068 0.000 1.171 543 R HN 0.943 nan 8.270 nan 0.000 0.470 544 G N 1.857 110.691 108.800 0.058 0.000 2.561 544 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.289 544 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.289 544 G C -0.381 174.556 174.900 0.062 0.000 1.169 544 G CA -0.255 44.869 45.100 0.040 0.000 0.980 544 G HN 0.928 nan 8.290 nan 0.000 0.550 545 C N -2.342 117.004 119.300 0.077 0.000 0.168 545 C HA 0.394 4.854 4.460 -0.001 0.000 0.017 545 C C 0.591 175.607 174.990 0.044 0.000 0.171 545 C CA 0.522 59.588 59.018 0.081 0.000 0.499 545 C CB -1.138 26.651 27.740 0.082 0.000 3.212 545 C HN 2.276 nan 8.230 nan 0.000 1.118 546 S N -0.425 115.285 115.700 0.018 0.000 2.911 546 S HA 0.893 5.363 4.470 -0.001 0.000 0.319 546 S C 0.441 174.843 174.600 -0.329 0.000 1.154 546 S CA 1.101 59.268 58.200 -0.055 0.000 0.857 546 S CB 1.315 64.570 63.200 0.092 0.000 1.279 546 S HN 3.003 nan 8.310 nan 0.000 0.593 547 G N 0.017 108.466 108.800 -0.585 0.000 2.539 547 G HA2 -0.125 3.834 3.960 -0.001 0.000 0.256 547 G HA3 -0.125 3.834 3.960 -0.001 0.000 0.256 547 G C -0.244 174.442 174.900 -0.357 0.000 1.233 547 G CA 0.233 44.821 45.100 -0.854 0.000 0.936 547 G HN 1.926 nan 8.290 nan 0.000 0.571 548 V N -2.922 116.820 119.914 -0.287 0.000 2.925 548 V HA 0.888 5.008 4.120 -0.001 0.000 0.311 548 V C -2.468 173.535 176.094 -0.152 0.000 1.104 548 V CA -1.139 61.066 62.300 -0.158 0.000 0.954 548 V CB 2.350 34.112 31.823 -0.102 0.000 1.022 548 V HN 1.021 nan 8.190 nan 0.000 0.427 549 P HA 0.254 nan 4.420 nan 0.000 0.276 549 P C -0.171 177.095 177.300 -0.058 0.000 1.261 549 P CA -0.165 62.891 63.100 -0.073 0.000 0.800 549 P CB 1.282 32.957 31.700 -0.042 0.000 1.066 550 S N -0.385 115.320 115.700 0.009 0.000 2.481 550 S HA 0.193 4.663 4.470 -0.001 0.000 0.276 550 S C 1.102 175.823 174.600 0.202 0.000 1.247 550 S CA -0.607 57.655 58.200 0.103 0.000 1.053 550 S CB -0.704 62.589 63.200 0.155 0.000 0.925 550 S HN 0.303 nan 8.310 nan 0.000 0.491 551 V N 2.367 122.345 119.914 0.106 0.000 3.645 551 V HA 0.491 4.611 4.120 -0.001 0.000 0.275 551 V C 0.394 176.557 176.094 0.115 0.000 1.356 551 V CA -0.037 62.247 62.300 -0.026 0.000 1.051 551 V CB -0.788 30.712 31.823 -0.539 0.000 0.828 551 V HN 0.833 nan 8.190 nan 0.000 0.441 552 N N -0.608 118.142 118.700 0.083 0.000 2.666 552 N HA 0.524 5.263 4.740 -0.001 0.000 0.260 552 N C -0.686 174.585 175.510 -0.398 0.000 1.077 552 N CA 0.457 53.416 53.050 -0.152 0.000 1.026 552 N CB 1.846 40.319 38.487 -0.024 0.000 1.653 552 N HN 0.478 nan 8.380 nan 0.000 0.533 553 G N 1.932 110.147 108.800 -0.976 0.000 2.495 553 G HA2 0.476 4.436 3.960 -0.001 0.000 0.294 553 G HA3 0.476 4.436 3.960 -0.001 0.000 0.294 553 G C -1.805 172.673 174.900 -0.704 0.000 1.397 553 G CA -0.588 44.066 45.100 -0.742 0.000 0.790 553 G HN 0.421 nan 8.290 nan 0.000 0.486 554 I N 0.238 120.650 120.570 -0.264 0.000 2.474 554 I HA 0.596 4.766 4.170 -0.001 0.000 0.294 554 I C -0.652 175.478 176.117 0.021 0.000 1.005 554 I CA -0.761 60.472 61.300 -0.112 0.000 1.113 554 I CB 2.095 40.050 38.000 -0.075 0.000 1.289 554 I HN 0.242 nan 8.210 nan 0.000 0.436 555 I N 5.136 125.741 120.570 0.059 0.000 2.607 555 I HA 0.260 4.429 4.170 -0.001 0.000 0.290 555 I C -0.672 175.459 176.117 0.023 0.000 1.129 555 I CA -0.709 60.634 61.300 0.072 0.000 1.042 555 I CB 2.097 40.167 38.000 0.116 0.000 1.242 555 I HN 0.445 nan 8.210 nan 0.000 0.421 556 N N 5.095 123.802 118.700 0.011 0.000 2.402 556 N HA 0.189 4.929 4.740 -0.001 0.000 0.252 556 N C -0.671 174.838 175.510 -0.002 0.000 1.118 556 N CA -0.065 52.985 53.050 -0.001 0.000 0.945 556 N CB 1.204 39.691 38.487 0.000 0.000 1.147 556 N HN 0.199 nan 8.380 nan 0.000 0.495 557 V N 5.825 125.735 119.914 -0.007 0.000 2.427 557 V HA 0.194 4.314 4.120 -0.001 0.000 0.268 557 V C -1.844 174.245 176.094 -0.008 0.000 1.046 557 V CA -1.418 60.875 62.300 -0.011 0.000 0.970 557 V CB 0.868 32.683 31.823 -0.015 0.000 1.001 557 V HN 0.480 nan 8.190 nan 0.000 0.476 558 P HA 0.212 nan 4.420 nan 0.000 0.271 558 P C -0.791 176.508 177.300 -0.003 0.000 1.216 558 P CA -0.028 63.069 63.100 -0.004 0.000 0.771 558 P CB 0.839 32.535 31.700 -0.006 0.000 0.864 559 V N 2.749 122.664 119.914 0.002 0.000 2.443 559 V HA 0.515 4.634 4.120 -0.001 0.000 0.293 559 V C 0.551 176.648 176.094 0.004 0.000 1.021 559 V CA -0.993 61.310 62.300 0.004 0.000 0.848 559 V CB 1.192 33.020 31.823 0.010 0.000 0.998 559 V HN 0.704 nan 8.190 nan 0.000 0.424 560 A N 4.347 127.169 122.820 0.002 0.000 2.386 560 A HA 0.526 4.846 4.320 -0.001 0.000 0.246 560 A C 0.389 177.976 177.584 0.004 0.000 1.089 560 A CA -0.219 51.819 52.037 0.002 0.000 0.790 560 A CB 0.289 19.290 19.000 0.001 0.000 1.042 560 A HN 0.816 nan 8.150 nan 0.000 0.497 561 V N 1.373 121.289 119.914 0.004 0.000 2.625 561 V HA 0.275 4.394 4.120 -0.001 0.000 0.305 561 V C 1.751 177.848 176.094 0.004 0.000 1.055 561 V CA 1.912 64.215 62.300 0.004 0.000 1.209 561 V CB -0.418 31.407 31.823 0.004 0.000 0.877 561 V HN 2.024 nan 8.190 nan 0.000 0.489 562 G N 3.451 112.254 108.800 0.005 0.000 2.189 562 G HA2 -0.165 3.795 3.960 -0.001 0.000 0.267 562 G HA3 -0.165 3.795 3.960 -0.001 0.000 0.267 562 G C 0.403 175.306 174.900 0.005 0.000 0.975 562 G CA 0.348 45.451 45.100 0.005 0.000 0.644 562 G HN 1.603 nan 8.290 nan 0.000 0.537 563 A N -0.161 122.662 122.820 0.006 0.000 2.302 563 A HA 0.771 5.091 4.320 -0.001 0.000 0.285 563 A C 1.330 178.919 177.584 0.008 0.000 1.105 563 A CA 1.061 53.102 52.037 0.005 0.000 0.816 563 A CB 0.669 19.671 19.000 0.004 0.000 1.067 563 A HN 1.380 nan 8.150 nan 0.000 0.489 564 T N -1.867 112.691 114.554 0.007 0.000 3.092 564 T HA 0.421 4.770 4.350 -0.001 0.000 0.258 564 T C 0.312 175.018 174.700 0.010 0.000 1.031 564 T CA 0.457 62.563 62.100 0.010 0.000 0.925 564 T CB -0.810 68.064 68.868 0.009 0.000 1.036 564 T HN 1.494 nan 8.240 nan 0.000 0.544 565 S N -1.059 114.645 115.700 0.007 0.000 2.565 565 S HA 0.838 5.307 4.470 -0.001 0.000 0.269 565 S C -0.569 174.033 174.600 0.002 0.000 1.153 565 S CA -0.430 57.773 58.200 0.005 0.000 0.835 565 S CB 1.634 64.836 63.200 0.003 0.000 1.122 565 S HN 0.827 nan 8.310 nan 0.000 0.462 566 G N 0.123 108.923 108.800 -0.001 0.000 2.660 566 G HA2 0.773 4.733 3.960 -0.001 0.000 0.290 566 G HA3 0.773 4.733 3.960 -0.001 0.000 0.290 566 G C -1.034 173.859 174.900 -0.012 0.000 1.432 566 G CA -0.146 44.950 45.100 -0.006 0.000 0.807 566 G HN 1.867 nan 8.290 nan 0.000 0.485 567 S N -1.636 114.053 115.700 -0.019 0.000 2.596 567 S HA 0.959 5.429 4.470 -0.001 0.000 0.270 567 S C -0.703 173.874 174.600 -0.037 0.000 1.155 567 S CA -0.092 58.091 58.200 -0.029 0.000 0.827 567 S CB 1.804 64.986 63.200 -0.031 0.000 1.130 567 S HN 2.506 nan 8.310 nan 0.000 0.467 568 A N 0.399 123.187 122.820 -0.054 0.000 2.566 568 A HA 0.880 5.200 4.320 -0.001 0.000 0.297 568 A C -0.358 177.162 177.584 -0.107 0.000 1.059 568 A CA -0.398 51.599 52.037 -0.067 0.000 0.691 568 A CB 0.913 19.880 19.000 -0.055 0.000 1.282 568 A HN 2.028 nan 8.150 nan 0.000 0.401 569 A N 1.637 124.386 122.820 -0.119 0.000 2.401 569 A HA 0.611 4.930 4.320 -0.001 0.000 0.259 569 A C 0.137 177.570 177.584 -0.252 0.000 1.103 569 A CA -0.247 51.688 52.037 -0.170 0.000 0.789 569 A CB -0.213 18.706 19.000 -0.136 0.000 1.035 569 A HN 0.811 nan 8.150 nan 0.000 0.491 570 I N 4.418 124.749 120.570 -0.398 0.000 2.598 570 I HA 0.105 4.275 4.170 -0.001 0.000 0.284 570 I C -1.553 174.313 176.117 -0.419 0.000 1.140 570 I CA -1.033 59.884 61.300 -0.638 0.000 1.420 570 I CB 0.762 38.162 38.000 -1.000 0.000 1.387 570 I HN 0.516 nan 8.210 nan 0.000 0.553 571 P HA 0.079 nan 4.420 nan 0.000 0.275 571 P C -0.726 176.481 177.300 -0.154 0.000 1.228 571 P CA -0.235 62.764 63.100 -0.168 0.000 0.786 571 P CB 0.340 31.991 31.700 -0.081 0.000 0.927 572 N N -0.785 117.851 118.700 -0.107 0.000 2.705 572 N HA -0.141 4.598 4.740 -0.001 0.000 0.255 572 N C -2.121 173.340 175.510 -0.081 0.000 1.008 572 N CA -0.041 52.962 53.050 -0.078 0.000 0.742 572 N CB -1.244 37.209 38.487 -0.057 0.000 0.906 572 N HN 0.469 nan 8.380 nan 0.000 0.541 573 P HA 0.172 nan 4.420 nan 0.000 0.274 573 P C 0.615 177.938 177.300 0.038 0.000 1.231 573 P CA 0.037 63.089 63.100 -0.081 0.000 0.790 573 P CB 0.933 32.529 31.700 -0.174 0.000 0.951 574 G N 1.242 110.138 108.800 0.161 0.000 2.552 574 G HA2 0.251 4.211 3.960 -0.001 0.000 0.318 574 G HA3 0.251 4.211 3.960 -0.001 0.000 0.318 574 G C -0.412 174.543 174.900 0.091 0.000 1.240 574 G CA -1.031 44.112 45.100 0.072 0.000 1.002 574 G HN 0.484 nan 8.290 nan 0.000 0.493 575 N N 0.003 118.722 118.700 0.031 0.000 3.050 575 N HA 0.361 5.101 4.740 -0.001 0.000 0.289 575 N C -0.744 174.764 175.510 -0.004 0.000 1.209 575 N CA 0.034 53.100 53.050 0.026 0.000 1.154 575 N CB 0.045 38.541 38.487 0.015 0.000 1.444 575 N HN 0.177 nan 8.380 nan 0.000 0.529 576 L N -0.284 120.923 121.223 -0.026 0.000 2.424 576 L HA 0.440 4.780 4.340 -0.001 0.000 0.258 576 L C -0.074 176.697 176.870 -0.165 0.000 0.995 576 L CA -1.020 53.721 54.840 -0.165 0.000 0.821 576 L CB 2.190 44.003 42.059 -0.411 0.000 1.383 576 L HN 0.079 nan 8.230 nan 0.000 0.410 577 T N 0.480 114.943 114.554 -0.151 0.000 2.832 577 T HA 0.422 4.771 4.350 -0.001 0.000 0.296 577 T C -0.888 173.690 174.700 -0.203 0.000 0.968 577 T CA 0.171 62.226 62.100 -0.075 0.000 1.107 577 T CB 0.073 68.939 68.868 -0.003 0.000 0.916 577 T HN 0.151 nan 8.240 nan 0.000 0.517 578 Y N 1.936 122.243 120.300 0.013 0.000 2.487 578 Y HA 0.638 5.187 4.550 -0.001 0.000 0.337 578 Y C 0.858 176.770 175.900 0.021 0.000 1.076 578 Y CA -1.132 56.981 58.100 0.022 0.000 1.115 578 Y CB 1.322 39.783 38.460 0.002 0.000 1.235 578 Y HN 0.307 nan 8.280 nan 0.000 0.468 579 R N 0.903 121.520 120.500 0.196 0.000 2.888 579 R HA 0.822 5.162 4.340 -0.001 0.000 0.264 579 R C -1.372 175.008 176.300 0.133 0.000 1.045 579 R CA -1.054 55.115 56.100 0.115 0.000 0.962 579 R CB 2.083 32.405 30.300 0.037 0.000 1.210 579 R HN 0.560 nan 8.270 nan 0.000 0.479 580 V N -1.254 118.707 119.914 0.077 0.000 3.078 580 V HA 0.817 4.937 4.120 -0.001 0.000 0.311 580 V C -0.981 175.121 176.094 0.014 0.000 1.138 580 V CA -1.128 61.209 62.300 0.062 0.000 1.007 580 V CB 2.628 34.484 31.823 0.054 0.000 1.045 580 V HN 0.742 nan 8.190 nan 0.000 0.432 581 R N 0.928 121.417 120.500 -0.018 0.000 2.680 581 R HA 0.714 5.054 4.340 -0.001 0.000 0.269 581 R C -0.790 175.427 176.300 -0.137 0.000 1.026 581 R CA -0.484 55.583 56.100 -0.056 0.000 0.889 581 R CB 1.963 32.238 30.300 -0.042 0.000 1.241 581 R HN 0.781 nan 8.270 nan 0.000 0.463 582 S N 1.307 116.851 115.700 -0.260 0.000 2.584 582 S HA 0.421 4.890 4.470 -0.001 0.000 0.273 582 S C -0.339 173.928 174.600 -0.554 0.000 1.311 582 S CA -0.623 57.253 58.200 -0.540 0.000 1.034 582 S CB 0.423 62.952 63.200 -1.118 0.000 0.939 582 S HN 0.292 nan 8.310 nan 0.000 0.513 583 L N 3.822 124.776 121.223 -0.449 0.000 2.283 583 L HA 0.435 4.775 4.340 -0.001 0.000 0.281 583 L C -1.033 175.664 176.870 -0.289 0.000 1.033 583 L CA -0.436 54.234 54.840 -0.283 0.000 0.848 583 L CB 0.190 42.166 42.059 -0.139 0.000 1.226 583 L HN 0.527 nan 8.230 nan 0.000 0.429 584 F N 1.431 121.382 119.950 0.001 0.000 2.443 584 F HA 0.427 4.954 4.527 -0.001 0.000 0.353 584 F C 1.165 176.965 175.800 0.001 0.000 1.101 584 F CA 0.159 58.160 58.000 0.002 0.000 1.226 584 F CB 1.172 40.173 39.000 0.001 0.000 1.140 584 F HN 0.458 nan 8.300 nan 0.000 0.557 585 G N 1.162 110.078 108.800 0.192 0.000 2.851 585 G HA2 0.028 3.987 3.960 -0.001 0.000 0.208 585 G HA3 0.028 3.987 3.960 -0.001 0.000 0.208 585 G C -0.426 174.532 174.900 0.098 0.000 1.894 585 G CA -0.287 44.878 45.100 0.109 0.000 0.732 585 G HN 0.484 nan 8.290 nan 0.000 0.802 586 D N 1.327 121.771 120.400 0.074 0.000 2.506 586 D HA 0.051 4.690 4.640 -0.001 0.000 0.234 586 D C -1.136 175.198 176.300 0.056 0.000 1.143 586 D CA -1.003 53.029 54.000 0.054 0.000 0.871 586 D CB 1.744 42.571 40.800 0.045 0.000 1.190 586 D HN -0.161 nan 8.370 nan 0.000 0.459 587 P HA -0.156 nan 4.420 nan 0.000 0.216 587 P C 0.856 178.163 177.300 0.012 0.000 1.150 587 P CA 1.720 64.825 63.100 0.008 0.000 0.843 587 P CB 0.036 31.735 31.700 -0.001 0.000 0.787 588 A N -0.129 122.705 122.820 0.024 0.000 2.125 588 A HA -0.131 4.189 4.320 -0.001 0.000 0.219 588 A C 2.214 179.826 177.584 0.047 0.000 1.156 588 A CA 1.874 53.927 52.037 0.026 0.000 0.671 588 A CB -1.310 17.704 19.000 0.023 0.000 0.794 588 A HN 0.365 nan 8.150 nan 0.000 0.459 589 S N -1.483 114.264 115.700 0.078 0.000 2.548 589 S HA 0.058 4.528 4.470 -0.001 0.000 0.215 589 S C 1.531 176.267 174.600 0.226 0.000 0.976 589 S CA 0.877 59.161 58.200 0.139 0.000 0.908 589 S CB -0.203 63.089 63.200 0.154 0.000 0.781 589 S HN 0.328 nan 8.310 nan 0.000 0.519 590 S N 1.085 116.838 115.700 0.088 0.000 2.489 590 S HA 0.168 4.637 4.470 -0.001 0.000 0.228 590 S C 1.699 176.187 174.600 -0.186 0.000 0.995 590 S CA 0.733 58.846 58.200 -0.145 0.000 0.934 590 S CB -0.334 62.724 63.200 -0.237 0.000 0.771 590 S HN 0.759 nan 8.310 nan 0.000 0.522 591 G N 1.106 109.896 108.800 -0.016 0.000 3.042 591 G HA2 0.077 4.036 3.960 -0.001 0.000 0.212 591 G HA3 0.077 4.036 3.960 -0.001 0.000 0.212 591 G C -0.315 174.641 174.900 0.094 0.000 1.166 591 G CA -0.341 44.763 45.100 0.006 0.000 0.767 591 G HN 0.277 nan 8.290 nan 0.000 0.546 592 D N 1.238 121.754 120.400 0.194 0.000 2.399 592 D HA 0.269 4.909 4.640 -0.001 0.000 0.241 592 D C 0.396 176.802 176.300 0.178 0.000 1.133 592 D CA 0.560 54.662 54.000 0.170 0.000 0.890 592 D CB 1.080 41.977 40.800 0.163 0.000 1.201 592 D HN -0.047 nan 8.370 nan 0.000 0.432 593 K N 0.620 121.080 120.400 0.101 0.000 2.203 593 K HA 0.618 4.937 4.320 -0.001 0.000 0.251 593 K C -0.427 176.201 176.600 0.047 0.000 0.944 593 K CA -0.943 55.392 56.287 0.080 0.000 0.829 593 K CB 2.097 34.631 32.500 0.057 0.000 1.125 593 K HN 0.324 nan 8.250 nan 0.000 0.430 594 V N -1.875 118.059 119.914 0.035 0.000 2.962 594 V HA 0.870 4.990 4.120 -0.001 0.000 0.313 594 V C -0.483 175.620 176.094 0.014 0.000 1.099 594 V CA -0.680 61.627 62.300 0.012 0.000 0.971 594 V CB 1.866 33.683 31.823 -0.011 0.000 1.028 594 V HN 0.932 nan 8.190 nan 0.000 0.430 595 S N 1.789 117.494 115.700 0.008 0.000 2.625 595 S HA 0.863 5.332 4.470 -0.001 0.000 0.271 595 S C -1.372 173.231 174.600 0.005 0.000 1.161 595 S CA -0.316 57.890 58.200 0.010 0.000 0.820 595 S CB 1.679 64.885 63.200 0.010 0.000 1.137 595 S HN 2.172 nan 8.310 nan 0.000 0.470 596 V N 0.954 120.874 119.914 0.011 0.000 2.638 596 V HA 0.795 4.915 4.120 -0.001 0.000 0.306 596 V C -1.301 174.797 176.094 0.006 0.000 1.052 596 V CA -0.203 62.097 62.300 0.001 0.000 0.885 596 V CB 2.091 33.923 31.823 0.015 0.000 0.999 596 V HN 1.079 nan 8.190 nan 0.000 0.424 597 S N 5.280 120.974 115.700 -0.011 0.000 2.669 597 S HA 0.765 5.235 4.470 -0.001 0.000 0.315 597 S C 0.566 175.158 174.600 -0.013 0.000 1.106 597 S CA 0.229 58.426 58.200 -0.004 0.000 1.107 597 S CB 0.949 64.144 63.200 -0.009 0.000 0.990 597 S HN 1.923 nan 8.310 nan 0.000 0.471 598 G N 2.297 111.102 108.800 0.009 0.000 2.595 598 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.297 598 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.297 598 G C 0.597 175.492 174.900 -0.007 0.000 1.181 598 G CA 0.530 45.638 45.100 0.012 0.000 0.963 598 G HN 1.654 nan 8.290 nan 0.000 0.541 599 V N -1.970 117.893 119.914 -0.085 0.000 3.070 599 V HA 0.656 4.775 4.120 -0.001 0.000 0.345 599 V C 0.373 176.323 176.094 -0.241 0.000 1.403 599 V CA 0.868 63.030 62.300 -0.231 0.000 1.155 599 V CB 0.460 32.148 31.823 -0.225 0.000 1.140 599 V HN 0.875 nan 8.190 nan 0.000 0.505 600 T N 2.639 117.101 114.554 -0.153 0.000 2.770 600 T HA 0.673 5.023 4.350 -0.001 0.000 0.283 600 T C -0.175 174.461 174.700 -0.107 0.000 0.988 600 T CA -0.088 61.934 62.100 -0.130 0.000 0.957 600 T CB 1.852 70.669 68.868 -0.084 0.000 0.930 600 T HN 0.270 nan 8.240 nan 0.000 0.443 601 I N 4.079 124.581 120.570 -0.112 0.000 2.395 601 I HA 0.308 4.478 4.170 -0.001 0.000 0.289 601 I C 0.357 176.447 176.117 -0.046 0.000 1.023 601 I CA -0.591 60.667 61.300 -0.070 0.000 1.350 601 I CB 0.655 38.615 38.000 -0.066 0.000 1.409 601 I HN 0.467 nan 8.210 nan 0.000 0.507 602 N N 5.323 124.006 118.700 -0.027 0.000 2.269 602 N HA 0.576 5.316 4.740 -0.001 0.000 0.304 602 N C -1.162 174.343 175.510 -0.008 0.000 1.072 602 N CA -0.417 52.623 53.050 -0.017 0.000 0.802 602 N CB 2.959 41.438 38.487 -0.014 0.000 1.348 602 N HN 0.164 nan 8.380 nan 0.000 0.484 603 V N 0.658 120.569 119.914 -0.004 0.000 2.823 603 V HA 0.597 4.716 4.120 -0.001 0.000 0.312 603 V C 0.080 176.181 176.094 0.011 0.000 1.072 603 V CA -0.652 61.651 62.300 0.005 0.000 0.937 603 V CB 2.082 33.907 31.823 0.004 0.000 1.013 603 V HN 0.856 nan 8.190 nan 0.000 0.430 604 T N 1.080 115.647 114.554 0.021 0.000 2.893 604 T HA 0.747 5.097 4.350 -0.001 0.000 0.291 604 T C -0.694 174.026 174.700 0.032 0.000 1.028 604 T CA -0.882 61.231 62.100 0.022 0.000 0.995 604 T CB 2.115 70.995 68.868 0.020 0.000 1.051 604 T HN 0.702 nan 8.240 nan 0.000 0.470 605 R N 2.572 123.089 120.500 0.028 0.000 2.467 605 R HA 0.387 4.726 4.340 -0.001 0.000 0.299 605 R C -2.395 173.918 176.300 0.023 0.000 1.120 605 R CA -1.942 54.178 56.100 0.032 0.000 0.940 605 R CB 1.262 31.581 30.300 0.031 0.000 1.161 605 R HN 0.391 nan 8.270 nan 0.000 0.506 606 P HA -0.082 nan 4.420 nan 0.000 0.216 606 P C -0.453 176.854 177.300 0.011 0.000 1.150 606 P CA 1.088 64.197 63.100 0.015 0.000 0.837 606 P CB 0.392 32.100 31.700 0.013 0.000 0.786 607 S N 0.655 116.362 115.700 0.012 0.000 2.577 607 S HA 0.335 4.805 4.470 -0.001 0.000 0.294 607 S C -2.396 172.211 174.600 0.012 0.000 1.161 607 S CA -1.194 57.012 58.200 0.009 0.000 1.143 607 S CB 0.624 63.828 63.200 0.006 0.000 0.991 607 S HN 0.078 nan 8.310 nan 0.000 0.475 608 P HA 0.303 nan 4.420 nan 0.000 0.272 608 P C -0.272 177.034 177.300 0.010 0.000 1.230 608 P CA -0.375 62.732 63.100 0.011 0.000 0.788 608 P CB 0.708 32.413 31.700 0.009 0.000 0.949 609 V N -2.421 117.500 119.914 0.011 0.000 3.046 609 V HA 0.796 4.915 4.120 -0.001 0.000 0.316 609 V C 0.994 177.093 176.094 0.008 0.000 1.104 609 V CA -0.491 61.815 62.300 0.010 0.000 1.006 609 V CB 1.299 33.130 31.823 0.012 0.000 1.058 609 V HN 0.603 nan 8.190 nan 0.000 0.440 610 G N 0.324 109.129 108.800 0.007 0.000 3.383 610 G HA2 0.458 4.418 3.960 -0.001 0.000 0.251 610 G HA3 0.458 4.418 3.960 -0.001 0.000 0.251 610 G C 0.196 175.099 174.900 0.006 0.000 1.203 610 G CA 0.618 45.722 45.100 0.006 0.000 0.852 610 G HN 1.268 nan 8.290 nan 0.000 0.531 611 V N -3.704 116.214 119.914 0.007 0.000 3.158 611 V HA 0.887 5.007 4.120 -0.001 0.000 0.315 611 V C 0.064 176.163 176.094 0.008 0.000 1.148 611 V CA -1.386 60.919 62.300 0.007 0.000 1.042 611 V CB 1.516 33.343 31.823 0.008 0.000 1.101 611 V HN 0.188 nan 8.190 nan 0.000 0.448 612 A N 2.239 125.063 122.820 0.007 0.000 2.527 612 A HA 0.679 4.999 4.320 -0.001 0.000 0.313 612 A C -0.594 176.996 177.584 0.009 0.000 1.410 612 A CA -0.089 51.953 52.037 0.007 0.000 1.060 612 A CB -0.621 18.382 19.000 0.005 0.000 1.137 612 A HN 1.184 nan 8.150 nan 0.000 0.542 613 L N 5.983 127.213 121.223 0.012 0.000 2.294 613 L HA 0.573 4.913 4.340 -0.001 0.000 0.283 613 L C -2.302 174.578 176.870 0.016 0.000 1.015 613 L CA -1.826 53.023 54.840 0.016 0.000 0.831 613 L CB 1.613 43.685 42.059 0.021 0.000 1.217 613 L HN 0.380 nan 8.230 nan 0.000 0.420 614 P HA 0.212 nan 4.420 nan 0.000 0.274 614 P C -0.882 176.424 177.300 0.010 0.000 1.246 614 P CA -0.317 62.787 63.100 0.008 0.000 0.795 614 P CB 1.332 33.034 31.700 0.003 0.000 1.006 618 E N 3.560 123.714 120.200 -0.077 0.000 2.146 618 E HA 0.551 4.901 4.350 -0.001 0.000 0.282 618 E C -1.370 175.206 176.600 -0.039 0.000 0.989 618 E CA -0.508 55.823 56.400 -0.115 0.000 0.799 618 E CB 1.145 30.771 29.700 -0.123 0.000 1.088 618 E HN 0.672 nan 8.360 nan 0.000 0.397 619 Y N 2.947 123.243 120.300 -0.007 0.000 2.419 619 Y HA 0.635 5.184 4.550 -0.001 0.000 0.328 619 Y C -0.800 175.156 175.900 0.092 0.000 1.162 619 Y CA -1.379 56.742 58.100 0.035 0.000 1.174 619 Y CB 0.741 39.199 38.460 -0.002 0.000 1.228 619 Y HN 0.342 nan 8.280 nan 0.000 0.473 620 L N 0.388 121.806 121.223 0.325 0.000 2.543 620 L HA 0.974 5.313 4.340 -0.001 0.000 0.265 620 L C -0.716 176.281 176.870 0.211 0.000 0.945 620 L CA -1.461 53.512 54.840 0.221 0.000 0.869 620 L CB 1.650 43.766 42.059 0.094 0.000 1.294 620 L HN 0.927 nan 8.230 nan 0.000 0.405 621 A N 3.972 126.808 122.820 0.027 0.000 2.386 621 A HA 0.775 5.094 4.320 -0.001 0.000 0.248 621 A C 0.060 177.666 177.584 0.036 0.000 1.082 621 A CA -0.295 51.546 52.037 -0.327 0.000 0.789 621 A CB 0.372 18.954 19.000 -0.696 0.000 1.025 621 A HN 0.936 nan 8.150 nan 0.000 0.490 622 I N 0.000 120.577 120.570 0.012 0.000 2.984 622 I HA 0.000 4.170 4.170 -0.001 0.000 0.288 622 I CA 0.000 61.377 61.300 0.128 0.000 1.566 622 I CB 0.000 38.018 38.000 0.030 0.000 1.214 622 I HN 0.000 nan 8.210 nan 0.000 0.494