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 2xuy_1_Y DATA FIRST_RESID 4 DATA SEQUENCE KVEYDLKRLR NIGIAAHIDA GKTTTTERIL YYTGRIHKIG XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX TITAAVTTCF WKDHRINIID TPGHVDFTIE VERSMRVLDG DATA SEQUENCE AIVVFDSSQG VEPQSETVWR QAEKYKVPRI AFANKMDKTG ADLWLVIRTM DATA SEQUENCE QERLGARPVV MQLPIGREDT FSGIIDVLRM KAYTYGNDLG TDIREIPIPE DATA SEQUENCE EYLDQAREYH EKLVEVAADF DENIMLKYLE GEEPTEEELV AAIRKGTIDL DATA SEQUENCE KITPVFLGSA LKNKGVQLLL DAVVDYLPSP LDIPPIKGTT PEGEVVEIHP DATA SEQUENCE DPNGPLAALA FKIMADPYVG RLTFIRVYSG TLTSGSYVYN TTKGRKERVA DATA SEQUENCE RLLRMHANHR EEVEELKAGD LGAVVGLKET ITGDTLVGED APRVILESIE DATA SEQUENCE VPEPVIDVAI EPKTKADQEK LSQALARLAE EDPTFRVSTH PETGQTIISG DATA SEQUENCE MGELHLEIIV DRLKREFKVD ANVGKPQVAY RETITKPVDV EGKFIRQTGG DATA SEQUENCE RGQYGHVKIK VEPLPRGSGF EFVNAIVGGV IPKEYIPAVQ KGIEEAMQSG DATA SEQUENCE PLIGFPVVDI KVTLYDGSYH EVDSSEMAFK IAGSMAIKEA VQKGDPVILE DATA SEQUENCE PIMRVEVTTP EEYMGDVIGD LNARRGQILG MEPRGNAQVI RAFVPLAEMF DATA SEQUENCE GYATDLRSKT QGRGSFVMFF DHYQEVPKQV QEKLIK 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 4 K HA 0.000 nan 4.320 nan 0.000 0.191 4 K C 0.000 176.603 176.600 0.005 0.000 0.988 4 K CA 0.000 56.280 56.287 -0.012 0.000 0.838 4 K CB 0.000 32.493 32.500 -0.012 0.000 1.064 5 V N 0.839 120.760 119.914 0.011 0.000 2.949 5 V HA 0.099 4.218 4.120 -0.002 0.000 0.245 5 V C 1.231 177.377 176.094 0.087 0.000 1.086 5 V CA 1.987 64.316 62.300 0.047 0.000 1.097 5 V CB -0.030 31.816 31.823 0.038 0.000 0.762 5 V HN 0.871 nan 8.190 nan 0.000 0.470 6 E N -0.799 119.432 120.200 0.052 0.000 3.562 6 E HA -0.352 3.997 4.350 -0.002 0.000 0.298 6 E C -0.227 176.493 176.600 0.200 0.000 0.830 6 E CA 1.240 57.685 56.400 0.075 0.000 1.013 6 E CB -1.057 28.684 29.700 0.068 0.000 1.510 6 E HN 0.771 nan 8.360 nan 0.000 0.463 7 Y N 0.046 120.368 120.300 0.036 0.000 2.359 7 Y HA 0.413 4.961 4.550 -0.002 0.000 0.336 7 Y C -0.368 175.554 175.900 0.036 0.000 1.098 7 Y CA -0.510 57.623 58.100 0.055 0.000 1.272 7 Y CB 1.177 39.671 38.460 0.057 0.000 1.112 7 Y HN -0.047 nan 8.280 nan 0.000 0.481 8 D N 4.890 125.130 120.400 -0.266 0.000 2.369 8 D HA 0.084 4.723 4.640 -0.002 0.000 0.211 8 D C 1.675 177.690 176.300 -0.475 0.000 1.077 8 D CA 1.170 54.971 54.000 -0.331 0.000 0.842 8 D CB 0.357 41.065 40.800 -0.153 0.000 0.947 8 D HN 0.791 nan 8.370 nan 0.000 0.509 9 L N -0.394 120.438 121.223 -0.652 0.000 3.467 9 L HA -0.416 3.922 4.340 -0.002 0.000 0.185 9 L C 0.517 177.320 176.870 -0.111 0.000 4.356 9 L CA 1.924 56.522 54.840 -0.404 0.000 0.777 9 L CB -1.201 40.647 42.059 -0.352 0.000 3.491 9 L HN -0.050 nan 8.230 nan 0.000 0.841 10 K N 0.374 120.715 120.400 -0.100 0.000 2.640 10 K HA -0.098 4.221 4.320 -0.002 0.000 0.193 10 K C 1.076 177.714 176.600 0.063 0.000 1.036 10 K CA 1.219 57.497 56.287 -0.015 0.000 0.962 10 K CB -0.207 32.279 32.500 -0.023 0.000 0.791 10 K HN 0.508 nan 8.250 nan 0.000 0.491 11 R N -0.099 120.447 120.500 0.078 0.000 2.508 11 R HA 0.157 4.495 4.340 -0.002 0.000 0.300 11 R C -0.381 176.093 176.300 0.290 0.000 0.970 11 R CA -0.363 55.876 56.100 0.232 0.000 1.102 11 R CB 0.604 30.940 30.300 0.059 0.000 1.246 11 R HN -0.035 nan 8.270 nan 0.000 0.539 12 L N 1.730 123.055 121.223 0.171 0.000 2.265 12 L HA 0.326 4.665 4.340 -0.002 0.000 0.288 12 L C -0.248 176.679 176.870 0.095 0.000 1.058 12 L CA -0.107 54.822 54.840 0.147 0.000 0.809 12 L CB 1.175 43.320 42.059 0.142 0.000 1.179 12 L HN -0.063 nan 8.230 nan 0.000 0.429 13 R N 3.170 123.717 120.500 0.078 0.000 2.371 13 R HA 0.337 4.676 4.340 -0.002 0.000 0.312 13 R C -0.644 175.663 176.300 0.012 0.000 0.980 13 R CA -0.092 56.025 56.100 0.028 0.000 0.867 13 R CB 0.712 31.016 30.300 0.007 0.000 1.163 13 R HN 0.525 nan 8.270 nan 0.000 0.492 14 N N 4.260 122.964 118.700 0.008 0.000 2.546 14 N HA 0.319 5.057 4.740 -0.002 0.000 0.238 14 N C -0.889 174.605 175.510 -0.026 0.000 0.984 14 N CA -0.627 52.419 53.050 -0.007 0.000 0.935 14 N CB 0.936 39.428 38.487 0.008 0.000 1.122 14 N HN 0.296 nan 8.380 nan 0.000 0.510 15 I N -1.136 119.405 120.570 -0.049 0.000 2.569 15 I HA 0.703 4.872 4.170 -0.002 0.000 0.296 15 I C 0.390 176.458 176.117 -0.083 0.000 1.028 15 I CA -1.257 60.006 61.300 -0.062 0.000 1.082 15 I CB 1.616 39.576 38.000 -0.066 0.000 1.264 15 I HN 0.232 nan 8.210 nan 0.000 0.429 16 G N 4.691 113.443 108.800 -0.081 0.000 2.461 16 G HA2 0.685 4.644 3.960 -0.002 0.000 0.323 16 G HA3 0.685 4.644 3.960 -0.002 0.000 0.323 16 G C -1.051 173.797 174.900 -0.087 0.000 1.229 16 G CA -0.586 44.455 45.100 -0.098 0.000 0.941 16 G HN 0.467 nan 8.290 nan 0.000 0.477 17 I N 2.322 122.834 120.570 -0.096 0.000 2.281 17 I HA 0.455 4.624 4.170 -0.002 0.000 0.293 17 I C 0.841 176.906 176.117 -0.087 0.000 1.085 17 I CA -0.157 61.092 61.300 -0.085 0.000 1.257 17 I CB 0.844 38.787 38.000 -0.094 0.000 1.430 17 I HN 0.539 nan 8.210 nan 0.000 0.489 18 A N 4.894 127.669 122.820 -0.076 0.000 2.299 18 A HA 1.032 5.351 4.320 -0.002 0.000 0.332 18 A C -0.307 177.206 177.584 -0.118 0.000 1.131 18 A CA 0.023 52.001 52.037 -0.098 0.000 0.844 18 A CB 1.425 20.367 19.000 -0.096 0.000 1.251 18 A HN 1.135 nan 8.150 nan 0.000 0.486 19 A N -0.317 122.413 122.820 -0.151 0.000 2.609 19 A HA 0.446 4.765 4.320 -0.002 0.000 0.305 19 A C -0.690 176.824 177.584 -0.117 0.000 0.888 19 A CA -0.208 51.712 52.037 -0.194 0.000 0.614 19 A CB -0.861 18.015 19.000 -0.206 0.000 1.326 19 A HN 2.420 nan 8.150 nan 0.000 0.417 20 H N 3.160 122.132 119.070 -0.164 0.000 2.732 20 H HA 0.516 5.070 4.556 -0.002 0.000 0.351 20 H C 1.167 176.494 175.328 -0.002 0.000 1.090 20 H CA 0.227 56.297 56.048 0.036 0.000 1.431 20 H CB 0.419 30.235 29.762 0.090 0.000 1.447 20 H HN 1.196 nan 8.280 nan 0.000 0.582 21 I N 0.352 120.642 120.570 -0.467 0.000 3.527 21 I HA -0.190 3.978 4.170 -0.002 0.000 0.280 21 I C 0.746 176.534 176.117 -0.549 0.000 1.300 21 I CA 0.520 61.567 61.300 -0.421 0.000 1.326 21 I CB -0.393 37.492 38.000 -0.192 0.000 1.338 21 I HN 0.969 nan 8.210 nan 0.000 0.611 22 D N 0.973 121.216 120.400 -0.262 0.000 4.195 22 D HA -0.298 4.341 4.640 -0.002 0.000 0.198 22 D C 1.322 177.527 176.300 -0.158 0.000 1.063 22 D CA 3.649 57.545 54.000 -0.173 0.000 2.321 22 D CB -1.379 39.324 40.800 -0.163 0.000 1.163 22 D HN 1.231 nan 8.370 nan 0.000 0.415 23 A N -0.384 122.311 122.820 -0.208 0.000 4.178 23 A HA -0.060 4.258 4.320 -0.002 0.000 0.529 23 A C 1.789 179.334 177.584 -0.066 0.000 1.387 23 A CA 4.395 56.352 52.037 -0.133 0.000 1.686 23 A CB -1.460 17.441 19.000 -0.166 0.000 1.284 23 A HN 1.618 nan 8.150 nan 0.000 0.597 24 G N -3.356 105.419 108.800 -0.043 0.000 3.988 24 G HA2 0.307 4.265 3.960 -0.002 0.000 0.195 24 G HA3 0.307 4.265 3.960 -0.002 0.000 0.195 24 G C 0.704 175.597 174.900 -0.012 0.000 1.060 24 G CA 1.036 46.134 45.100 -0.004 0.000 0.847 24 G HN 0.630 nan 8.290 nan 0.000 0.515 25 K N 0.707 121.084 120.400 -0.039 0.000 1.986 25 K HA -0.171 4.148 4.320 -0.002 0.000 0.230 25 K C 2.596 179.154 176.600 -0.070 0.000 1.048 25 K CA 2.662 58.914 56.287 -0.057 0.000 1.008 25 K CB -0.600 31.852 32.500 -0.079 0.000 0.737 25 K HN 0.198 nan 8.250 nan 0.000 0.447 26 T N 0.643 115.153 114.554 -0.073 0.000 2.544 26 T HA -0.210 4.139 4.350 -0.002 0.000 0.264 26 T C 2.013 176.666 174.700 -0.078 0.000 1.096 26 T CA 2.331 64.385 62.100 -0.076 0.000 1.181 26 T CB -0.868 67.960 68.868 -0.068 0.000 0.864 26 T HN 0.354 nan 8.240 nan 0.000 0.415 27 T N 1.708 116.220 114.554 -0.070 0.000 2.778 27 T HA -0.147 4.202 4.350 -0.002 0.000 0.269 27 T C 2.197 176.844 174.700 -0.088 0.000 1.050 27 T CA 1.683 63.738 62.100 -0.076 0.000 1.137 27 T CB -0.801 68.031 68.868 -0.060 0.000 0.860 27 T HN 0.426 nan 8.240 nan 0.000 0.468 28 T N 1.750 116.256 114.554 -0.079 0.000 2.788 28 T HA -0.100 4.248 4.350 -0.002 0.000 0.268 28 T C 2.280 176.888 174.700 -0.153 0.000 1.044 28 T CA 1.615 63.649 62.100 -0.111 0.000 1.139 28 T CB -0.522 68.278 68.868 -0.113 0.000 0.867 28 T HN 0.469 nan 8.240 nan 0.000 0.454 29 T N 2.245 116.719 114.554 -0.132 0.000 2.812 29 T HA -0.097 4.251 4.350 -0.002 0.000 0.264 29 T C 2.031 176.656 174.700 -0.125 0.000 1.042 29 T CA 1.450 63.469 62.100 -0.134 0.000 1.140 29 T CB -0.303 68.496 68.868 -0.115 0.000 0.870 29 T HN 0.749 nan 8.240 nan 0.000 0.445 30 E N 1.652 121.782 120.200 -0.116 0.000 2.118 30 E HA -0.197 4.152 4.350 -0.002 0.000 0.195 30 E C 2.342 178.856 176.600 -0.145 0.000 0.992 30 E CA 0.897 57.231 56.400 -0.110 0.000 0.804 30 E CB -0.204 29.428 29.700 -0.112 0.000 0.741 30 E HN 0.212 nan 8.360 nan 0.000 0.458 31 R N 0.575 120.960 120.500 -0.190 0.000 2.096 31 R HA -0.030 4.308 4.340 -0.002 0.000 0.235 31 R C 2.444 178.562 176.300 -0.304 0.000 1.127 31 R CA 1.319 57.247 56.100 -0.286 0.000 0.968 31 R CB -0.421 29.722 30.300 -0.262 0.000 0.861 31 R HN 0.397 nan 8.270 nan 0.000 0.440 32 I N 0.847 121.292 120.570 -0.209 0.000 2.226 32 I HA -0.228 3.941 4.170 -0.002 0.000 0.245 32 I C 0.562 176.609 176.117 -0.118 0.000 1.100 32 I CA 0.737 61.932 61.300 -0.176 0.000 1.374 32 I CB -0.173 37.713 38.000 -0.190 0.000 1.057 32 I HN -0.021 nan 8.210 nan 0.000 0.413 33 L N 0.711 121.879 121.223 -0.090 0.000 2.384 33 L HA -0.019 4.320 4.340 -0.002 0.000 0.258 33 L C 0.041 176.945 176.870 0.058 0.000 1.266 33 L CA 0.953 55.779 54.840 -0.024 0.000 1.162 33 L CB -0.738 41.305 42.059 -0.027 0.000 1.375 33 L HN 0.205 nan 8.230 nan 0.000 0.420 34 Y N -0.252 119.968 120.300 -0.133 0.000 2.782 34 Y HA -0.110 4.438 4.550 -0.002 0.000 0.333 34 Y C 0.966 176.852 175.900 -0.022 0.000 0.882 34 Y CA 0.086 58.102 58.100 -0.138 0.000 0.873 34 Y CB -0.089 38.187 38.460 -0.306 0.000 1.386 34 Y HN 0.204 nan 8.280 nan 0.000 0.541 35 Y N 0.978 121.303 120.300 0.042 0.000 2.177 35 Y HA -0.019 4.529 4.550 -0.002 0.000 0.291 35 Y C 2.746 178.695 175.900 0.083 0.000 1.117 35 Y CA 2.236 60.334 58.100 -0.003 0.000 1.114 35 Y CB -1.187 37.165 38.460 -0.181 0.000 1.017 35 Y HN 0.242 nan 8.280 nan 0.000 0.505 36 T N -2.839 111.822 114.554 0.179 0.000 2.977 36 T HA 0.040 4.389 4.350 -0.002 0.000 0.271 36 T C 1.408 176.263 174.700 0.260 0.000 1.105 36 T CA 1.201 63.485 62.100 0.305 0.000 1.116 36 T CB -0.560 68.402 68.868 0.156 0.000 0.878 36 T HN 0.322 nan 8.240 nan 0.000 0.509 37 G N 0.660 109.544 108.800 0.139 0.000 4.917 37 G HA2 0.365 4.324 3.960 -0.002 0.000 0.244 37 G HA3 0.365 4.324 3.960 -0.002 0.000 0.244 37 G C 0.551 175.416 174.900 -0.057 0.000 1.072 37 G CA -0.450 44.687 45.100 0.062 0.000 0.850 37 G HN 0.396 nan 8.290 nan 0.000 0.559 38 R N 0.379 120.847 120.500 -0.053 0.000 2.210 38 R HA 0.129 4.468 4.340 -0.002 0.000 0.203 38 R C 2.028 178.267 176.300 -0.101 0.000 1.010 38 R CA 0.215 56.192 56.100 -0.204 0.000 1.008 38 R CB -0.264 29.921 30.300 -0.193 0.000 0.923 38 R HN 0.252 nan 8.270 nan 0.000 0.469 39 I N 1.206 121.775 120.570 -0.002 0.000 4.878 39 I HA -0.489 3.680 4.170 -0.002 0.000 0.042 39 I C 0.509 176.681 176.117 0.092 0.000 0.635 39 I CA 2.614 63.935 61.300 0.036 0.000 0.306 39 I CB -1.842 36.174 38.000 0.028 0.000 0.370 39 I HN 0.685 nan 8.210 nan 0.000 0.154 40 H N 1.284 120.342 119.070 -0.019 0.000 2.847 40 H HA -0.138 4.417 4.556 -0.002 0.000 0.336 40 H C -0.037 175.281 175.328 -0.017 0.000 1.221 40 H CA 0.489 56.525 56.048 -0.020 0.000 1.162 40 H CB -0.697 29.052 29.762 -0.022 0.000 1.566 40 H HN 0.394 nan 8.280 nan 0.000 0.430 41 K N 1.582 122.044 120.400 0.103 0.000 2.203 41 K HA 0.358 4.677 4.320 -0.002 0.000 0.251 41 K C 0.279 176.894 176.600 0.024 0.000 0.944 41 K CA -1.150 55.160 56.287 0.038 0.000 0.829 41 K CB 1.705 34.217 32.500 0.019 0.000 1.125 41 K HN 0.108 nan 8.250 nan 0.000 0.430 42 I N 3.307 123.879 120.570 0.002 0.000 2.907 42 I HA -0.077 4.092 4.170 -0.002 0.000 0.285 42 I C 0.937 177.053 176.117 -0.002 0.000 1.189 42 I CA 0.905 62.202 61.300 -0.004 0.000 1.376 42 I CB -1.245 36.748 38.000 -0.011 0.000 1.420 42 I HN 0.742 nan 8.210 nan 0.000 0.544 65 I N 3.165 123.705 120.570 -0.049 0.000 3.648 65 I HA 0.271 4.440 4.170 -0.002 0.000 0.305 65 I C 1.035 177.112 176.117 -0.067 0.000 1.345 65 I CA 0.023 61.284 61.300 -0.065 0.000 1.325 65 I CB -1.811 36.139 38.000 -0.084 0.000 1.188 65 I HN 0.807 nan 8.210 nan 0.000 0.460 66 T N 3.374 117.905 114.554 -0.038 0.000 2.428 66 T HA 0.178 4.527 4.350 -0.002 0.000 0.219 66 T C 0.612 175.291 174.700 -0.034 0.000 1.176 66 T CA 0.981 63.070 62.100 -0.019 0.000 2.917 66 T CB -1.437 67.440 68.868 0.016 0.000 0.978 66 T HN 1.615 nan 8.240 nan 0.000 0.367 67 A N 2.973 125.740 122.820 -0.087 0.000 2.432 67 A HA 0.338 4.657 4.320 -0.002 0.000 0.685 67 A C 1.315 178.597 177.584 -0.503 0.000 0.141 67 A CA 0.263 52.171 52.037 -0.215 0.000 0.039 67 A CB -1.961 17.101 19.000 0.103 0.000 3.967 67 A HN 2.397 nan 8.150 nan 0.000 0.547 68 A N 1.953 124.370 122.820 -0.671 0.000 2.545 68 A HA -0.108 4.211 4.320 -0.002 0.000 0.266 68 A C 1.859 179.221 177.584 -0.370 0.000 2.597 68 A CA 2.797 54.502 52.037 -0.554 0.000 1.029 68 A CB -1.439 17.149 19.000 -0.686 0.000 0.447 68 A HN 2.614 nan 8.150 nan 0.000 0.406 69 V N 0.466 120.165 119.914 -0.359 0.000 2.607 69 V HA 0.566 4.685 4.120 -0.002 0.000 0.289 69 V C 0.126 176.174 176.094 -0.076 0.000 1.053 69 V CA 0.607 62.829 62.300 -0.130 0.000 0.996 69 V CB 1.261 33.099 31.823 0.025 0.000 0.995 69 V HN 0.867 nan 8.190 nan 0.000 0.476 70 T N 3.670 118.189 114.554 -0.059 0.000 2.903 70 T HA 0.550 4.899 4.350 -0.002 0.000 0.299 70 T C -0.430 174.247 174.700 -0.039 0.000 1.093 70 T CA -0.463 61.617 62.100 -0.033 0.000 1.002 70 T CB 1.734 70.578 68.868 -0.040 0.000 1.127 70 T HN 0.888 nan 8.240 nan 0.000 0.488 71 T N -1.074 113.463 114.554 -0.027 0.000 2.859 71 T HA 0.721 5.069 4.350 -0.002 0.000 0.281 71 T C 0.076 174.708 174.700 -0.113 0.000 1.005 71 T CA -0.852 61.199 62.100 -0.081 0.000 1.025 71 T CB 0.429 69.228 68.868 -0.114 0.000 0.977 71 T HN 1.102 nan 8.240 nan 0.000 0.458 72 C N 1.910 121.082 119.300 -0.213 0.000 2.994 72 C HA 0.899 5.358 4.460 -0.002 0.000 0.305 72 C C -1.464 173.388 174.990 -0.230 0.000 1.251 72 C CA -1.237 57.678 59.018 -0.173 0.000 1.478 72 C CB 0.213 27.931 27.740 -0.037 0.000 1.922 72 C HN 0.798 nan 8.230 nan 0.000 0.472 73 F N 2.210 122.250 119.950 0.150 0.000 2.444 73 F HA 0.648 5.174 4.527 -0.002 0.000 0.342 73 F C -0.190 175.803 175.800 0.322 0.000 1.121 73 F CA -0.669 57.442 58.000 0.186 0.000 0.997 73 F CB 1.353 40.419 39.000 0.111 0.000 1.130 73 F HN 0.855 nan 8.300 nan 0.000 0.454 74 W N 6.570 128.029 121.300 0.266 0.000 2.631 74 W HA 0.311 4.970 4.660 -0.002 0.000 0.321 74 W C -0.829 175.807 176.519 0.195 0.000 1.004 74 W CA -1.290 56.160 57.345 0.175 0.000 1.291 74 W CB 1.256 30.780 29.460 0.106 0.000 1.300 74 W HN 0.624 nan 8.180 nan 0.000 0.422 75 K N 5.789 126.037 120.400 -0.253 0.000 5.728 75 K HA -0.227 4.091 4.320 -0.002 0.000 0.427 75 K C -0.196 176.389 176.600 -0.025 0.000 1.056 75 K CA 1.459 57.586 56.287 -0.267 0.000 1.274 75 K CB -0.510 31.723 32.500 -0.445 0.000 1.831 75 K HN 0.681 nan 8.250 nan 0.000 0.384 76 D N 2.232 122.565 120.400 -0.113 0.000 2.810 76 D HA -0.229 4.409 4.640 -0.002 0.000 0.224 76 D C -0.726 175.316 176.300 -0.429 0.000 1.222 76 D CA 1.635 55.491 54.000 -0.241 0.000 0.698 76 D CB -0.668 39.935 40.800 -0.329 0.000 0.961 76 D HN 0.537 nan 8.370 nan 0.000 0.403 77 H N -0.313 118.864 119.070 0.178 0.000 3.159 77 H HA 0.156 4.711 4.556 -0.002 0.000 0.313 77 H C -0.143 175.403 175.328 0.364 0.000 1.071 77 H CA -0.626 55.555 56.048 0.220 0.000 1.451 77 H CB 1.013 30.873 29.762 0.163 0.000 2.075 77 H HN 0.130 nan 8.280 nan 0.000 0.443 78 R N 4.534 125.294 120.500 0.434 0.000 2.221 78 R HA 0.509 4.848 4.340 -0.002 0.000 0.327 78 R C -0.859 175.486 176.300 0.075 0.000 1.033 78 R CA -0.358 55.851 56.100 0.182 0.000 0.887 78 R CB 0.368 30.779 30.300 0.185 0.000 1.057 78 R HN 0.481 nan 8.270 nan 0.000 0.455 79 I N 4.181 124.735 120.570 -0.026 0.000 2.406 79 I HA 0.260 4.428 4.170 -0.002 0.000 0.290 79 I C -0.625 175.456 176.117 -0.059 0.000 0.999 79 I CA -1.143 60.149 61.300 -0.013 0.000 1.124 79 I CB 2.000 40.000 38.000 -0.001 0.000 1.289 79 I HN 0.573 nan 8.210 nan 0.000 0.441 80 N N 7.781 126.459 118.700 -0.037 0.000 2.424 80 N HA 0.555 5.294 4.740 -0.002 0.000 0.271 80 N C -0.814 174.661 175.510 -0.058 0.000 0.985 80 N CA -0.297 52.727 53.050 -0.043 0.000 0.921 80 N CB 2.162 40.638 38.487 -0.018 0.000 1.149 80 N HN 0.443 nan 8.380 nan 0.000 0.492 81 I N 2.307 122.834 120.570 -0.073 0.000 2.474 81 I HA 0.461 4.630 4.170 -0.002 0.000 0.294 81 I C 0.154 176.205 176.117 -0.110 0.000 1.005 81 I CA -0.791 60.454 61.300 -0.092 0.000 1.113 81 I CB 1.687 39.628 38.000 -0.097 0.000 1.289 81 I HN 0.280 nan 8.210 nan 0.000 0.436 82 I N 4.152 124.644 120.570 -0.130 0.000 2.833 82 I HA 0.152 4.320 4.170 -0.002 0.000 0.286 82 I C -0.237 175.791 176.117 -0.149 0.000 1.287 82 I CA -0.453 60.751 61.300 -0.161 0.000 1.046 82 I CB 0.463 38.335 38.000 -0.214 0.000 1.612 82 I HN 0.583 nan 8.210 nan 0.000 0.585 83 D N 3.011 123.332 120.400 -0.131 0.000 2.348 83 D HA 0.185 4.823 4.640 -0.002 0.000 0.253 83 D C 0.085 176.312 176.300 -0.122 0.000 1.161 83 D CA 0.274 54.202 54.000 -0.120 0.000 0.876 83 D CB 1.943 42.677 40.800 -0.109 0.000 1.160 83 D HN 0.374 nan 8.370 nan 0.000 0.459 84 T N 2.676 117.156 114.554 -0.124 0.000 3.285 84 T HA 0.107 4.455 4.350 -0.002 0.000 0.263 84 T C -1.639 172.980 174.700 -0.135 0.000 0.836 84 T CA 0.077 62.104 62.100 -0.122 0.000 0.849 84 T CB -0.591 68.200 68.868 -0.129 0.000 1.252 84 T HN 0.304 nan 8.240 nan 0.000 0.617 85 P HA -0.220 nan 4.420 nan 0.000 0.241 85 P C 1.385 178.582 177.300 -0.173 0.000 0.811 85 P CA 2.676 65.683 63.100 -0.155 0.000 1.119 85 P CB -0.467 31.156 31.700 -0.129 0.000 0.732 86 G N -3.824 104.901 108.800 -0.125 0.000 2.383 86 G HA2 -0.359 3.600 3.960 -0.002 0.000 0.229 86 G HA3 -0.359 3.600 3.960 -0.002 0.000 0.229 86 G C 0.738 175.622 174.900 -0.026 0.000 1.089 86 G CA 1.673 46.707 45.100 -0.111 0.000 0.640 86 G HN 0.780 nan 8.290 nan 0.000 0.510 87 H N -0.877 118.060 119.070 -0.221 0.000 4.803 87 H HA -0.266 4.288 4.556 -0.002 0.000 0.060 87 H C 1.511 176.734 175.328 -0.175 0.000 0.602 87 H CA 3.786 59.737 56.048 -0.162 0.000 0.950 87 H CB -1.706 28.020 29.762 -0.060 0.000 0.516 87 H HN 1.921 nan 8.280 nan 0.000 0.809 88 V N 1.497 121.292 119.914 -0.199 0.000 3.251 88 V HA -0.097 4.021 4.120 -0.002 0.000 0.270 88 V C 1.118 177.156 176.094 -0.093 0.000 1.042 88 V CA 1.278 63.473 62.300 -0.176 0.000 1.169 88 V CB -1.400 30.415 31.823 -0.012 0.000 0.726 88 V HN 0.845 nan 8.190 nan 0.000 0.406 89 D N 3.145 123.458 120.400 -0.145 0.000 4.372 89 D HA -0.317 4.322 4.640 -0.002 0.000 0.169 89 D C 0.387 176.702 176.300 0.025 0.000 0.680 89 D CA 2.363 56.358 54.000 -0.009 0.000 1.152 89 D CB -1.377 39.485 40.800 0.104 0.000 0.585 89 D HN 1.276 nan 8.370 nan 0.000 0.493 90 F N 2.395 122.288 119.950 -0.095 0.000 2.495 90 F HA 0.360 4.886 4.527 -0.002 0.000 0.370 90 F C 1.423 177.168 175.800 -0.092 0.000 1.117 90 F CA 0.514 58.429 58.000 -0.141 0.000 1.060 90 F CB -0.364 38.456 39.000 -0.299 0.000 1.065 90 F HN 0.274 nan 8.300 nan 0.000 0.571 91 T N 3.168 117.592 114.554 -0.216 0.000 3.207 91 T HA 0.034 4.382 4.350 -0.002 0.000 0.229 91 T C 1.809 176.392 174.700 -0.196 0.000 0.999 91 T CA 0.689 62.652 62.100 -0.229 0.000 1.386 91 T CB -0.473 68.345 68.868 -0.082 0.000 1.130 91 T HN 0.648 nan 8.240 nan 0.000 0.435 92 I N 1.358 121.868 120.570 -0.100 0.000 4.725 92 I HA -0.400 3.769 4.170 -0.002 0.000 0.048 92 I C 1.891 177.955 176.117 -0.088 0.000 0.627 92 I CA 2.746 64.005 61.300 -0.069 0.000 0.644 92 I CB -1.414 36.571 38.000 -0.025 0.000 0.612 92 I HN 0.581 nan 8.210 nan 0.000 0.159 93 E N 0.917 121.060 120.200 -0.096 0.000 2.077 93 E HA -0.137 4.212 4.350 -0.002 0.000 0.193 93 E C 2.112 178.628 176.600 -0.141 0.000 0.989 93 E CA 2.300 58.641 56.400 -0.099 0.000 0.800 93 E CB -0.291 29.360 29.700 -0.081 0.000 0.746 93 E HN 0.583 nan 8.360 nan 0.000 0.452 94 V N 2.064 121.880 119.914 -0.163 0.000 2.278 94 V HA -0.243 3.876 4.120 -0.002 0.000 0.251 94 V C 1.929 177.929 176.094 -0.157 0.000 1.062 94 V CA 2.252 64.454 62.300 -0.164 0.000 1.038 94 V CB -0.546 31.180 31.823 -0.163 0.000 0.646 94 V HN 0.225 nan 8.190 nan 0.000 0.447 95 E N -0.044 120.072 120.200 -0.141 0.000 2.463 95 E HA -0.060 4.289 4.350 -0.002 0.000 0.191 95 E C 1.983 178.473 176.600 -0.184 0.000 1.083 95 E CA 0.253 56.564 56.400 -0.148 0.000 0.872 95 E CB -0.150 29.485 29.700 -0.109 0.000 0.966 95 E HN 0.779 nan 8.360 nan 0.000 0.491 96 R N -0.121 120.275 120.500 -0.172 0.000 2.121 96 R HA 0.116 4.455 4.340 -0.002 0.000 0.206 96 R C 1.864 178.031 176.300 -0.222 0.000 1.094 96 R CA 0.831 56.828 56.100 -0.172 0.000 1.055 96 R CB -0.211 30.023 30.300 -0.109 0.000 0.964 96 R HN -0.106 nan 8.270 nan 0.000 0.473 97 S N 1.684 117.237 115.700 -0.245 0.000 2.382 97 S HA -0.178 4.291 4.470 -0.002 0.000 0.228 97 S C 1.874 176.324 174.600 -0.250 0.000 1.027 97 S CA 1.559 59.575 58.200 -0.306 0.000 0.991 97 S CB -0.325 62.682 63.200 -0.321 0.000 0.823 97 S HN 0.407 nan 8.310 nan 0.000 0.469 98 M N 1.448 120.908 119.600 -0.233 0.000 2.089 98 M HA -0.276 4.203 4.480 -0.002 0.000 0.257 98 M C 2.019 178.119 176.300 -0.334 0.000 1.071 98 M CA 1.708 56.880 55.300 -0.213 0.000 1.096 98 M CB -0.068 32.410 32.600 -0.203 0.000 1.330 98 M HN 0.031 nan 8.290 nan 0.000 0.403 99 R N 0.001 120.139 120.500 -0.603 0.000 2.073 99 R HA -0.100 4.239 4.340 -0.002 0.000 0.234 99 R C 2.167 178.333 176.300 -0.224 0.000 1.134 99 R CA 1.649 57.245 56.100 -0.839 0.000 0.952 99 R CB -1.490 28.446 30.300 -0.606 0.000 0.850 99 R HN 0.559 nan 8.270 nan 0.000 0.433 100 V N 1.268 121.111 119.914 -0.119 0.000 2.222 100 V HA -0.060 4.058 4.120 -0.002 0.000 0.240 100 V C 1.013 177.135 176.094 0.046 0.000 1.040 100 V CA 1.480 63.800 62.300 0.033 0.000 0.988 100 V CB -0.582 31.203 31.823 -0.064 0.000 0.633 100 V HN 0.269 nan 8.190 nan 0.000 0.452 101 L N 0.502 121.698 121.223 -0.044 0.000 2.472 101 L HA 0.216 4.555 4.340 -0.002 0.000 0.273 101 L C 1.247 178.149 176.870 0.053 0.000 1.254 101 L CA 0.885 55.716 54.840 -0.013 0.000 0.823 101 L CB -0.371 41.648 42.059 -0.067 0.000 1.096 101 L HN 0.581 nan 8.230 nan 0.000 0.521 102 D N -0.659 119.768 120.400 0.046 0.000 2.463 102 D HA 0.179 4.818 4.640 -0.002 0.000 0.237 102 D C 0.826 177.144 176.300 0.030 0.000 1.013 102 D CA 0.607 54.642 54.000 0.059 0.000 0.910 102 D CB 0.192 41.024 40.800 0.053 0.000 1.080 102 D HN 0.678 nan 8.370 nan 0.000 0.498 103 G N -0.109 108.696 108.800 0.007 0.000 2.667 103 G HA2 0.638 4.597 3.960 -0.002 0.000 0.310 103 G HA3 0.638 4.597 3.960 -0.002 0.000 0.310 103 G C -1.336 173.553 174.900 -0.019 0.000 1.259 103 G CA -0.419 44.677 45.100 -0.007 0.000 1.019 103 G HN 0.392 nan 8.290 nan 0.000 0.496 104 A N -0.506 122.303 122.820 -0.019 0.000 2.547 104 A HA 0.540 4.859 4.320 -0.002 0.000 0.300 104 A C -1.566 176.020 177.584 0.003 0.000 1.061 104 A CA -0.488 51.537 52.037 -0.021 0.000 0.808 104 A CB 0.853 19.838 19.000 -0.026 0.000 1.304 104 A HN 0.577 nan 8.150 nan 0.000 0.393 105 I N 1.942 122.509 120.570 -0.006 0.000 2.339 105 I HA 0.436 4.605 4.170 -0.002 0.000 0.290 105 I C -0.092 176.065 176.117 0.068 0.000 0.994 105 I CA -0.464 60.853 61.300 0.028 0.000 1.191 105 I CB 1.950 39.934 38.000 -0.027 0.000 1.343 105 I HN 0.329 nan 8.210 nan 0.000 0.458 106 V N 7.330 127.342 119.914 0.162 0.000 2.240 106 V HA 0.251 4.370 4.120 -0.002 0.000 0.265 106 V C 0.290 176.512 176.094 0.214 0.000 1.073 106 V CA -0.810 61.570 62.300 0.134 0.000 0.857 106 V CB 0.636 32.598 31.823 0.231 0.000 1.114 106 V HN 0.435 nan 8.190 nan 0.000 0.469 107 V N 5.099 125.097 119.914 0.141 0.000 2.673 107 V HA 0.188 4.306 4.120 -0.002 0.000 0.303 107 V C -0.035 176.105 176.094 0.077 0.000 1.046 107 V CA 0.762 63.210 62.300 0.246 0.000 1.126 107 V CB 0.301 32.239 31.823 0.192 0.000 0.934 107 V HN 0.582 nan 8.190 nan 0.000 0.487 108 F N 1.589 121.548 119.950 0.015 0.000 2.593 108 F HA 0.430 4.956 4.527 -0.002 0.000 0.320 108 F C 0.111 175.860 175.800 -0.085 0.000 1.060 108 F CA -0.977 57.004 58.000 -0.031 0.000 0.940 108 F CB 1.700 40.661 39.000 -0.065 0.000 1.268 108 F HN 0.363 nan 8.300 nan 0.000 0.475 109 D N 0.693 121.184 120.400 0.152 0.000 2.396 109 D HA 0.229 4.868 4.640 -0.002 0.000 0.225 109 D C 0.659 176.977 176.300 0.030 0.000 1.121 109 D CA 0.207 54.231 54.000 0.040 0.000 0.853 109 D CB 1.383 42.197 40.800 0.023 0.000 1.043 109 D HN 0.451 nan 8.370 nan 0.000 0.500 110 S N 1.692 117.353 115.700 -0.066 0.000 2.359 110 S HA -0.202 4.266 4.470 -0.002 0.000 0.222 110 S C 2.031 176.586 174.600 -0.075 0.000 1.038 110 S CA 1.109 59.241 58.200 -0.113 0.000 1.051 110 S CB -0.197 62.884 63.200 -0.198 0.000 0.944 110 S HN 0.497 nan 8.310 nan 0.000 0.433 111 S N 0.849 116.505 115.700 -0.073 0.000 2.377 111 S HA -0.152 4.316 4.470 -0.002 0.000 0.224 111 S C 1.078 175.668 174.600 -0.016 0.000 1.042 111 S CA 1.128 59.298 58.200 -0.049 0.000 1.086 111 S CB -0.487 62.682 63.200 -0.051 0.000 0.995 111 S HN 0.468 nan 8.310 nan 0.000 0.428 112 Q N 1.177 120.981 119.800 0.008 0.000 2.317 112 Q HA 0.158 4.497 4.340 -0.002 0.000 0.286 112 Q C 0.638 176.657 176.000 0.032 0.000 1.198 112 Q CA 0.455 56.278 55.803 0.035 0.000 0.973 112 Q CB 0.135 28.921 28.738 0.080 0.000 1.207 112 Q HN 0.362 nan 8.270 nan 0.000 0.416 113 G N 2.087 110.897 108.800 0.016 0.000 2.556 113 G HA2 -0.088 3.871 3.960 -0.002 0.000 0.209 113 G HA3 -0.088 3.871 3.960 -0.002 0.000 0.209 113 G C 0.511 175.419 174.900 0.014 0.000 1.159 113 G CA 0.225 45.330 45.100 0.008 0.000 0.828 113 G HN 0.517 nan 8.290 nan 0.000 0.553 114 V N 2.865 122.787 119.914 0.014 0.000 3.515 114 V HA 0.114 4.233 4.120 -0.002 0.000 0.298 114 V C 0.904 177.008 176.094 0.016 0.000 1.206 114 V CA 0.143 62.450 62.300 0.013 0.000 1.253 114 V CB -1.579 30.251 31.823 0.011 0.000 1.035 114 V HN 0.607 nan 8.190 nan 0.000 0.428 115 E N 1.743 121.957 120.200 0.024 0.000 2.614 115 E HA -0.013 4.336 4.350 -0.002 0.000 0.245 115 E C -1.654 174.949 176.600 0.005 0.000 1.039 115 E CA -0.640 55.777 56.400 0.028 0.000 0.948 115 E CB 0.525 30.267 29.700 0.069 0.000 0.937 115 E HN 0.393 nan 8.360 nan 0.000 0.498 116 P HA -0.031 nan 4.420 nan 0.000 0.238 116 P C 0.681 177.928 177.300 -0.089 0.000 1.183 116 P CA 0.314 63.396 63.100 -0.031 0.000 0.813 116 P CB 0.581 32.271 31.700 -0.016 0.000 0.944 117 Q N 0.144 119.808 119.800 -0.227 0.000 2.159 117 Q HA 0.144 4.483 4.340 -0.002 0.000 0.217 117 Q C 1.686 177.515 176.000 -0.284 0.000 0.818 117 Q CA 0.167 55.733 55.803 -0.395 0.000 1.008 117 Q CB -0.149 28.024 28.738 -0.941 0.000 1.148 117 Q HN 0.240 nan 8.270 nan 0.000 0.491 118 S N -0.326 115.333 115.700 -0.068 0.000 2.387 118 S HA -0.213 4.255 4.470 -0.002 0.000 0.230 118 S C 1.083 175.666 174.600 -0.028 0.000 1.035 118 S CA 1.054 59.291 58.200 0.061 0.000 1.014 118 S CB -0.420 62.958 63.200 0.298 0.000 0.836 118 S HN 0.570 nan 8.310 nan 0.000 0.466 119 E N 1.889 122.087 120.200 -0.005 0.000 4.202 119 E HA 0.077 4.426 4.350 -0.002 0.000 0.517 119 E C 1.423 177.990 176.600 -0.055 0.000 1.534 119 E CA 0.629 57.022 56.400 -0.012 0.000 3.240 119 E CB -0.912 28.792 29.700 0.007 0.000 1.125 119 E HN 0.531 nan 8.360 nan 0.000 0.528 120 T N -2.572 111.972 114.554 -0.016 0.000 13.594 120 T HA -0.425 3.924 4.350 -0.002 0.000 0.419 120 T C 1.765 176.395 174.700 -0.118 0.000 1.441 120 T CA 3.746 65.796 62.100 -0.083 0.000 2.350 120 T CB -2.770 65.976 68.868 -0.204 0.000 2.790 120 T HN 1.435 nan 8.240 nan 0.000 0.516 121 V N 0.137 119.858 119.914 -0.322 0.000 2.351 121 V HA -0.374 3.745 4.120 -0.002 0.000 0.245 121 V C 2.167 178.244 176.094 -0.028 0.000 1.059 121 V CA 3.902 66.057 62.300 -0.241 0.000 1.105 121 V CB -2.342 29.338 31.823 -0.238 0.000 0.845 121 V HN 1.080 nan 8.190 nan 0.000 0.477 122 W N 2.095 123.320 121.300 -0.125 0.000 2.408 122 W HA -0.061 4.597 4.660 -0.002 0.000 0.311 122 W C 2.780 179.285 176.519 -0.024 0.000 1.190 122 W CA 2.165 59.483 57.345 -0.045 0.000 1.321 122 W CB -0.671 28.795 29.460 0.011 0.000 1.143 122 W HN 0.353 nan 8.180 nan 0.000 0.501 123 R N 1.017 121.796 120.500 0.464 0.000 2.371 123 R HA -0.205 4.134 4.340 -0.002 0.000 0.226 123 R C 1.318 177.669 176.300 0.086 0.000 1.132 123 R CA 1.764 58.054 56.100 0.316 0.000 1.027 123 R CB -0.120 30.339 30.300 0.266 0.000 0.848 123 R HN 0.418 nan 8.270 nan 0.000 0.479 124 Q N -2.264 117.550 119.800 0.023 0.000 2.171 124 Q HA 0.249 4.588 4.340 -0.002 0.000 0.218 124 Q C 0.812 176.780 176.000 -0.054 0.000 0.822 124 Q CA 0.210 56.003 55.803 -0.016 0.000 0.987 124 Q CB 1.468 30.190 28.738 -0.027 0.000 1.144 124 Q HN 0.247 nan 8.270 nan 0.000 0.494 125 A N 1.770 124.517 122.820 -0.122 0.000 1.941 125 A HA -0.083 4.236 4.320 -0.002 0.000 0.214 125 A C 1.850 179.338 177.584 -0.161 0.000 1.368 125 A CA 0.670 52.618 52.037 -0.149 0.000 0.651 125 A CB -0.320 18.523 19.000 -0.263 0.000 1.064 125 A HN 0.370 nan 8.150 nan 0.000 0.492 126 E N 0.641 120.633 120.200 -0.346 0.000 2.463 126 E HA -0.216 4.133 4.350 -0.002 0.000 0.201 126 E C 1.596 178.116 176.600 -0.133 0.000 1.045 126 E CA 1.252 57.480 56.400 -0.287 0.000 0.872 126 E CB -0.377 29.104 29.700 -0.364 0.000 0.797 126 E HN 0.628 nan 8.360 nan 0.000 0.538 127 K N 0.177 120.532 120.400 -0.075 0.000 2.211 127 K HA -0.235 4.084 4.320 -0.002 0.000 0.204 127 K C 1.641 178.281 176.600 0.067 0.000 1.047 127 K CA 1.482 57.767 56.287 -0.003 0.000 0.935 127 K CB -0.138 32.365 32.500 0.005 0.000 0.728 127 K HN 0.322 nan 8.250 nan 0.000 0.452 128 Y N -0.045 120.201 120.300 -0.090 0.000 2.351 128 Y HA 0.218 4.767 4.550 -0.002 0.000 0.291 128 Y C -0.418 175.437 175.900 -0.075 0.000 1.153 128 Y CA 0.609 58.665 58.100 -0.074 0.000 1.193 128 Y CB 0.829 39.243 38.460 -0.077 0.000 1.187 128 Y HN -0.060 nan 8.280 nan 0.000 0.524 129 K N 0.912 121.072 120.400 -0.400 0.000 1.176 129 K HA 0.104 4.422 4.320 -0.002 0.000 1.054 129 K C -2.279 173.966 176.600 -0.592 0.000 0.564 129 K CA 0.144 56.124 56.287 -0.511 0.000 0.796 129 K CB -1.093 31.105 32.500 -0.504 0.000 3.508 129 K HN 0.085 nan 8.250 nan 0.000 0.110 130 V N 3.917 123.671 119.914 -0.265 0.000 2.851 130 V HA 0.509 4.627 4.120 -0.002 0.000 0.307 130 V C -2.397 173.618 176.094 -0.130 0.000 1.129 130 V CA -1.675 60.550 62.300 -0.126 0.000 0.932 130 V CB 2.574 34.449 31.823 0.087 0.000 1.024 130 V HN 0.370 nan 8.190 nan 0.000 0.426 131 P HA 0.488 nan 4.420 nan 0.000 0.277 131 P C -1.420 175.855 177.300 -0.042 0.000 1.240 131 P CA -0.399 62.658 63.100 -0.072 0.000 0.798 131 P CB 0.503 32.179 31.700 -0.041 0.000 0.979 132 R N 2.764 123.256 120.500 -0.013 0.000 2.594 132 R HA 0.585 4.923 4.340 -0.002 0.000 0.265 132 R C -1.481 174.901 176.300 0.137 0.000 1.070 132 R CA -0.806 55.325 56.100 0.052 0.000 0.909 132 R CB 0.883 31.212 30.300 0.048 0.000 1.243 132 R HN 0.509 nan 8.270 nan 0.000 0.455 133 I N -0.569 120.085 120.570 0.141 0.000 2.750 133 I HA 0.846 5.015 4.170 -0.002 0.000 0.308 133 I C -0.385 175.878 176.117 0.243 0.000 1.016 133 I CA -1.155 60.255 61.300 0.183 0.000 1.098 133 I CB 2.319 40.373 38.000 0.090 0.000 1.279 133 I HN 0.782 nan 8.210 nan 0.000 0.454 134 A N 4.098 127.096 122.820 0.296 0.000 2.303 134 A HA 0.745 5.063 4.320 -0.002 0.000 0.317 134 A C -1.215 176.597 177.584 0.380 0.000 1.149 134 A CA -0.328 51.915 52.037 0.342 0.000 0.822 134 A CB 0.776 19.892 19.000 0.193 0.000 1.131 134 A HN 0.691 nan 8.150 nan 0.000 0.493 135 F N 1.891 121.977 119.950 0.226 0.000 2.539 135 F HA 0.611 5.137 4.527 -0.002 0.000 0.318 135 F C -0.052 175.842 175.800 0.157 0.000 1.135 135 F CA -0.845 57.245 58.000 0.151 0.000 0.915 135 F CB 1.747 40.794 39.000 0.079 0.000 1.176 135 F HN 0.654 nan 8.300 nan 0.000 0.440 136 A N 6.001 128.308 122.820 -0.854 0.000 2.540 136 A HA 0.260 4.579 4.320 -0.002 0.000 0.340 136 A C 0.821 177.822 177.584 -0.971 0.000 1.424 136 A CA -0.428 51.242 52.037 -0.611 0.000 0.940 136 A CB -0.345 18.404 19.000 -0.418 0.000 1.149 136 A HN 1.058 nan 8.150 nan 0.000 0.505 137 N N 2.226 120.433 118.700 -0.822 0.000 2.007 137 N HA -0.148 4.590 4.740 -0.002 0.000 0.197 137 N C 0.544 175.900 175.510 -0.256 0.000 1.050 137 N CA 1.177 53.960 53.050 -0.446 0.000 0.856 137 N CB -0.114 38.383 38.487 0.016 0.000 1.050 137 N HN 0.621 nan 8.380 nan 0.000 0.423 138 K N 1.072 121.345 120.400 -0.211 0.000 3.006 138 K HA 0.088 4.407 4.320 -0.002 0.000 0.265 138 K C 0.290 176.711 176.600 -0.298 0.000 1.279 138 K CA -0.257 55.902 56.287 -0.214 0.000 1.229 138 K CB 0.276 32.693 32.500 -0.139 0.000 1.555 138 K HN 0.346 nan 8.250 nan 0.000 0.300 139 M N 1.328 120.673 119.600 -0.424 0.000 2.686 139 M HA -0.086 4.392 4.480 -0.002 0.000 0.246 139 M C 0.869 176.784 176.300 -0.642 0.000 1.096 139 M CA 1.235 56.251 55.300 -0.474 0.000 1.076 139 M CB -0.443 31.902 32.600 -0.425 0.000 1.504 139 M HN 0.364 nan 8.290 nan 0.000 0.524 140 D N -1.181 118.827 120.400 -0.654 0.000 2.423 140 D HA 0.026 4.665 4.640 -0.002 0.000 0.208 140 D C 0.701 176.858 176.300 -0.237 0.000 1.068 140 D CA 0.076 53.751 54.000 -0.542 0.000 0.860 140 D CB 0.157 40.615 40.800 -0.570 0.000 0.992 140 D HN 0.131 nan 8.370 nan 0.000 0.504 141 K N 0.929 121.211 120.400 -0.197 0.000 2.237 141 K HA 0.186 4.504 4.320 -0.002 0.000 0.270 141 K C -0.239 176.309 176.600 -0.086 0.000 1.015 141 K CA -0.249 55.969 56.287 -0.115 0.000 0.949 141 K CB 0.628 33.068 32.500 -0.100 0.000 0.976 141 K HN -0.119 nan 8.250 nan 0.000 0.472 142 T N 1.874 116.396 114.554 -0.053 0.000 2.939 142 T HA 0.051 4.400 4.350 -0.002 0.000 0.312 142 T C 1.081 175.762 174.700 -0.031 0.000 1.064 142 T CA 1.172 63.253 62.100 -0.032 0.000 1.136 142 T CB 0.297 69.155 68.868 -0.017 0.000 1.035 142 T HN 0.884 nan 8.240 nan 0.000 0.538 143 G N 1.635 110.423 108.800 -0.020 0.000 2.168 143 G HA2 -0.181 3.778 3.960 -0.002 0.000 0.263 143 G HA3 -0.181 3.778 3.960 -0.002 0.000 0.263 143 G C 0.389 175.270 174.900 -0.033 0.000 0.977 143 G CA 0.058 45.148 45.100 -0.016 0.000 0.659 143 G HN 1.339 nan 8.290 nan 0.000 0.533 144 A N 0.503 123.288 122.820 -0.059 0.000 2.897 144 A HA 0.484 4.803 4.320 -0.002 0.000 0.287 144 A C 0.311 177.838 177.584 -0.095 0.000 1.748 144 A CA 0.845 52.823 52.037 -0.100 0.000 1.397 144 A CB -0.258 18.652 19.000 -0.150 0.000 1.049 144 A HN 0.443 nan 8.150 nan 0.000 0.592 145 D N 2.485 122.837 120.400 -0.080 0.000 2.467 145 D HA 0.286 4.924 4.640 -0.002 0.000 0.220 145 D C 1.070 177.265 176.300 -0.174 0.000 1.103 145 D CA -0.437 53.519 54.000 -0.073 0.000 0.886 145 D CB 0.316 41.125 40.800 0.016 0.000 1.025 145 D HN 0.400 nan 8.370 nan 0.000 0.514 146 L N 3.910 124.928 121.223 -0.342 0.000 1.957 146 L HA -0.253 4.086 4.340 -0.002 0.000 0.228 146 L C 1.338 177.911 176.870 -0.496 0.000 1.086 146 L CA 1.835 56.351 54.840 -0.540 0.000 0.796 146 L CB -0.270 41.300 42.059 -0.814 0.000 0.900 146 L HN 0.602 nan 8.230 nan 0.000 0.439 147 W N -0.691 120.548 121.300 -0.102 0.000 2.269 147 W HA -0.361 4.298 4.660 -0.002 0.000 0.336 147 W C 2.317 178.778 176.519 -0.096 0.000 1.333 147 W CA 0.761 58.045 57.345 -0.101 0.000 1.299 147 W CB -1.264 28.156 29.460 -0.066 0.000 1.126 147 W HN 0.213 nan 8.180 nan 0.000 0.474 148 L N 0.306 121.600 121.223 0.118 0.000 2.198 148 L HA -0.285 4.054 4.340 -0.002 0.000 0.218 148 L C 2.153 179.005 176.870 -0.030 0.000 1.084 148 L CA 1.683 56.545 54.840 0.036 0.000 0.779 148 L CB -1.270 40.799 42.059 0.016 0.000 0.890 148 L HN -0.021 nan 8.230 nan 0.000 0.439 149 V N -0.782 119.069 119.914 -0.104 0.000 2.302 149 V HA -0.236 3.883 4.120 -0.002 0.000 0.243 149 V C 2.275 178.253 176.094 -0.193 0.000 1.036 149 V CA 1.789 63.978 62.300 -0.184 0.000 1.020 149 V CB -0.248 31.384 31.823 -0.320 0.000 0.657 149 V HN 0.360 nan 8.190 nan 0.000 0.453 150 I N -0.169 120.299 120.570 -0.170 0.000 2.335 150 I HA -0.243 3.926 4.170 -0.002 0.000 0.251 150 I C 2.332 178.410 176.117 -0.065 0.000 1.129 150 I CA 1.441 62.663 61.300 -0.129 0.000 1.402 150 I CB -0.561 37.404 38.000 -0.059 0.000 1.069 150 I HN 0.223 nan 8.210 nan 0.000 0.424 151 R N -0.165 120.323 120.500 -0.019 0.000 2.339 151 R HA -0.033 4.306 4.340 -0.002 0.000 0.199 151 R C 1.757 178.037 176.300 -0.034 0.000 1.018 151 R CA 0.779 56.876 56.100 -0.005 0.000 1.036 151 R CB -0.136 30.178 30.300 0.024 0.000 0.899 151 R HN 0.304 nan 8.270 nan 0.000 0.473 152 T N -0.625 113.889 114.554 -0.067 0.000 3.075 152 T HA 0.151 4.500 4.350 -0.002 0.000 0.251 152 T C 1.386 176.016 174.700 -0.117 0.000 0.979 152 T CA -0.246 61.810 62.100 -0.074 0.000 1.033 152 T CB 0.205 69.042 68.868 -0.052 0.000 1.104 152 T HN 0.022 nan 8.240 nan 0.000 0.473 153 M N 1.908 121.398 119.600 -0.184 0.000 2.617 153 M HA -0.138 4.340 4.480 -0.002 0.000 0.258 153 M C 1.743 177.902 176.300 -0.236 0.000 1.067 153 M CA 1.554 56.702 55.300 -0.255 0.000 1.057 153 M CB -0.008 32.391 32.600 -0.335 0.000 1.397 153 M HN 0.441 nan 8.290 nan 0.000 0.499 154 Q N -2.296 117.413 119.800 -0.152 0.000 2.157 154 Q HA 0.102 4.441 4.340 -0.002 0.000 0.235 154 Q C 1.267 177.219 176.000 -0.080 0.000 0.803 154 Q CA -0.075 55.660 55.803 -0.114 0.000 0.967 154 Q CB 0.085 28.778 28.738 -0.075 0.000 1.150 154 Q HN 0.433 nan 8.270 nan 0.000 0.482 155 E N 0.173 120.328 120.200 -0.076 0.000 2.307 155 E HA 0.072 4.421 4.350 -0.002 0.000 0.195 155 E C 1.455 178.026 176.600 -0.050 0.000 0.975 155 E CA 0.019 56.389 56.400 -0.050 0.000 0.878 155 E CB 0.561 30.238 29.700 -0.038 0.000 0.845 155 E HN 0.117 nan 8.360 nan 0.000 0.488 156 R N 0.499 120.958 120.500 -0.069 0.000 2.005 156 R HA 0.068 4.407 4.340 -0.002 0.000 0.213 156 R C 2.589 178.846 176.300 -0.072 0.000 1.308 156 R CA 0.902 56.969 56.100 -0.056 0.000 1.022 156 R CB -1.190 29.079 30.300 -0.051 0.000 0.883 156 R HN 0.202 nan 8.270 nan 0.000 0.470 157 L N -1.964 119.169 121.223 -0.149 0.000 2.044 157 L HA 0.335 4.674 4.340 -0.002 0.000 0.205 157 L C 1.134 177.915 176.870 -0.150 0.000 1.075 157 L CA 1.159 55.887 54.840 -0.186 0.000 0.747 157 L CB -0.863 40.873 42.059 -0.539 0.000 0.903 157 L HN 0.481 nan 8.230 nan 0.000 0.435 158 G N 0.525 109.202 108.800 -0.206 0.000 2.255 158 G HA2 -0.059 3.900 3.960 -0.002 0.000 0.239 158 G HA3 -0.059 3.900 3.960 -0.002 0.000 0.239 158 G C 0.227 175.076 174.900 -0.086 0.000 1.083 158 G CA 0.128 45.158 45.100 -0.117 0.000 0.826 158 G HN 0.829 nan 8.290 nan 0.000 0.493 159 A N -0.249 122.467 122.820 -0.173 0.000 2.896 159 A HA 0.883 5.202 4.320 -0.002 0.000 0.232 159 A C 1.110 178.700 177.584 0.009 0.000 1.809 159 A CA 0.382 52.419 52.037 0.001 0.000 0.855 159 A CB 0.511 19.547 19.000 0.060 0.000 1.773 159 A HN 0.918 nan 8.150 nan 0.000 0.644 160 R N 0.416 120.962 120.500 0.078 0.000 2.724 160 R HA 0.276 4.615 4.340 -0.002 0.000 0.284 160 R C -2.643 173.692 176.300 0.058 0.000 1.481 160 R CA -1.801 54.332 56.100 0.055 0.000 1.652 160 R CB 0.543 30.888 30.300 0.075 0.000 1.175 160 R HN 0.514 nan 8.270 nan 0.000 0.613 161 P HA 0.032 nan 4.420 nan 0.000 0.274 161 P C -0.729 176.568 177.300 -0.006 0.000 1.260 161 P CA -0.203 62.896 63.100 -0.001 0.000 0.793 161 P CB 1.323 32.981 31.700 -0.070 0.000 1.048 162 V N 0.904 120.800 119.914 -0.030 0.000 2.577 162 V HA 0.043 4.162 4.120 -0.002 0.000 0.294 162 V C 0.013 176.041 176.094 -0.110 0.000 1.052 162 V CA -0.810 61.463 62.300 -0.044 0.000 0.891 162 V CB 1.997 33.804 31.823 -0.027 0.000 1.017 162 V HN 0.249 nan 8.190 nan 0.000 0.436 163 V N 6.885 126.735 119.914 -0.107 0.000 2.509 163 V HA 0.014 4.133 4.120 -0.002 0.000 0.297 163 V C 1.135 177.102 176.094 -0.212 0.000 1.014 163 V CA 0.789 62.981 62.300 -0.180 0.000 1.127 163 V CB 0.589 32.306 31.823 -0.178 0.000 0.925 163 V HN 0.810 nan 8.190 nan 0.000 0.480 164 M N 3.284 122.664 119.600 -0.367 0.000 2.331 164 M HA 0.293 4.772 4.480 -0.002 0.000 0.266 164 M C 0.319 176.387 176.300 -0.386 0.000 1.055 164 M CA 0.616 55.622 55.300 -0.491 0.000 1.048 164 M CB 0.437 32.369 32.600 -1.114 0.000 1.460 164 M HN 0.706 nan 8.290 nan 0.000 0.519 165 Q N 0.583 120.199 119.800 -0.308 0.000 2.391 165 Q HA 0.623 4.962 4.340 -0.002 0.000 0.279 165 Q C -1.702 174.194 176.000 -0.173 0.000 1.028 165 Q CA -0.660 55.027 55.803 -0.194 0.000 0.836 165 Q CB 3.047 31.693 28.738 -0.154 0.000 1.414 165 Q HN 0.011 nan 8.270 nan 0.000 0.397 166 L N 2.701 123.865 121.223 -0.099 0.000 2.404 166 L HA 0.464 4.802 4.340 -0.002 0.000 0.272 166 L C -2.431 174.396 176.870 -0.072 0.000 0.980 166 L CA -1.451 53.343 54.840 -0.076 0.000 0.836 166 L CB 1.673 43.785 42.059 0.089 0.000 1.238 166 L HN 0.389 nan 8.230 nan 0.000 0.408 167 P HA 0.195 nan 4.420 nan 0.000 0.275 167 P C -0.410 176.850 177.300 -0.065 0.000 1.227 167 P CA -0.131 62.950 63.100 -0.033 0.000 0.781 167 P CB 1.159 32.923 31.700 0.107 0.000 0.906 168 I N 1.917 122.377 120.570 -0.183 0.000 2.337 168 I HA 0.327 4.496 4.170 -0.002 0.000 0.291 168 I C 0.973 177.133 176.117 0.070 0.000 1.046 168 I CA 0.306 61.482 61.300 -0.207 0.000 1.324 168 I CB 0.038 37.860 38.000 -0.297 0.000 1.409 168 I HN 0.674 nan 8.210 nan 0.000 0.494 169 G N 5.132 114.088 108.800 0.260 0.000 2.828 169 G HA2 -0.200 3.758 3.960 -0.002 0.000 0.262 169 G HA3 -0.200 3.758 3.960 -0.002 0.000 0.262 169 G C -0.374 174.690 174.900 0.273 0.000 1.033 169 G CA -0.945 44.302 45.100 0.246 0.000 1.248 169 G HN 0.599 nan 8.290 nan 0.000 0.551 170 R N 1.685 122.324 120.500 0.231 0.000 2.401 170 R HA 0.484 4.823 4.340 -0.002 0.000 0.299 170 R C 1.490 177.868 176.300 0.130 0.000 1.064 170 R CA 0.477 56.681 56.100 0.175 0.000 1.000 170 R CB 0.468 30.847 30.300 0.133 0.000 0.973 170 R HN 0.968 nan 8.270 nan 0.000 0.438 171 E N 0.673 120.921 120.200 0.081 0.000 3.247 171 E HA -0.504 3.845 4.350 -0.002 0.000 0.424 171 E C 0.636 177.270 176.600 0.057 0.000 1.544 171 E CA 1.467 57.866 56.400 -0.001 0.000 1.208 171 E CB -1.082 28.607 29.700 -0.017 0.000 1.473 171 E HN 0.578 nan 8.360 nan 0.000 0.472 172 D N 1.526 121.958 120.400 0.053 0.000 2.203 172 D HA -0.108 4.531 4.640 -0.002 0.000 0.199 172 D C 1.412 177.785 176.300 0.122 0.000 0.997 172 D CA 2.712 56.754 54.000 0.070 0.000 0.863 172 D CB -0.337 40.495 40.800 0.054 0.000 0.928 172 D HN 0.520 nan 8.370 nan 0.000 0.458 173 T N -1.387 113.256 114.554 0.147 0.000 3.341 173 T HA 0.141 4.489 4.350 -0.002 0.000 0.234 173 T C 0.207 175.049 174.700 0.236 0.000 0.890 173 T CA -0.744 61.456 62.100 0.166 0.000 0.952 173 T CB -1.001 67.952 68.868 0.141 0.000 1.146 173 T HN -0.037 nan 8.240 nan 0.000 0.591 174 F N 3.873 123.864 119.950 0.068 0.000 2.490 174 F HA 0.350 4.876 4.527 -0.002 0.000 0.357 174 F C 1.196 177.063 175.800 0.112 0.000 1.166 174 F CA -1.164 56.882 58.000 0.078 0.000 1.116 174 F CB 0.090 39.124 39.000 0.058 0.000 1.171 174 F HN 0.435 nan 8.300 nan 0.000 0.576 175 S N 3.092 118.700 115.700 -0.152 0.000 3.026 175 S HA 0.727 5.196 4.470 -0.002 0.000 0.169 175 S C 0.788 175.284 174.600 -0.173 0.000 0.680 175 S CA 0.166 58.304 58.200 -0.103 0.000 0.826 175 S CB -0.353 62.829 63.200 -0.030 0.000 0.779 175 S HN 0.583 nan 8.310 nan 0.000 0.664 176 G N 0.415 109.092 108.800 -0.204 0.000 3.175 176 G HA2 0.782 4.741 3.960 -0.002 0.000 0.255 176 G HA3 0.782 4.741 3.960 -0.002 0.000 0.255 176 G C -1.228 173.564 174.900 -0.181 0.000 1.352 176 G CA -1.111 43.831 45.100 -0.264 0.000 1.037 176 G HN 0.573 nan 8.290 nan 0.000 0.556 177 I N -0.898 119.600 120.570 -0.120 0.000 2.994 177 I HA 0.444 4.612 4.170 -0.002 0.000 0.306 177 I C -1.463 174.620 176.117 -0.057 0.000 1.195 177 I CA -0.818 60.440 61.300 -0.070 0.000 1.001 177 I CB 2.473 40.488 38.000 0.024 0.000 1.244 177 I HN 0.123 nan 8.210 nan 0.000 0.437 178 I N 2.351 122.880 120.570 -0.068 0.000 2.474 178 I HA 0.286 4.455 4.170 -0.002 0.000 0.294 178 I C -0.590 175.514 176.117 -0.023 0.000 1.005 178 I CA -0.141 61.144 61.300 -0.025 0.000 1.113 178 I CB 1.509 39.485 38.000 -0.041 0.000 1.289 178 I HN 0.425 nan 8.210 nan 0.000 0.436 179 D N 4.984 125.389 120.400 0.007 0.000 2.427 179 D HA 0.272 4.911 4.640 -0.002 0.000 0.226 179 D C 1.060 177.361 176.300 0.002 0.000 1.076 179 D CA -0.479 53.518 54.000 -0.006 0.000 0.849 179 D CB 1.230 42.046 40.800 0.026 0.000 1.052 179 D HN 0.306 nan 8.370 nan 0.000 0.515 180 V N 3.244 123.160 119.914 0.003 0.000 2.219 180 V HA -0.249 3.870 4.120 -0.002 0.000 0.248 180 V C 2.392 178.502 176.094 0.028 0.000 1.053 180 V CA 1.365 63.690 62.300 0.042 0.000 1.009 180 V CB -1.293 30.622 31.823 0.153 0.000 0.636 180 V HN 0.547 nan 8.190 nan 0.000 0.445 181 L N 0.493 121.818 121.223 0.170 0.000 2.085 181 L HA -0.236 4.103 4.340 -0.002 0.000 0.218 181 L C 2.604 179.552 176.870 0.129 0.000 1.080 181 L CA 2.378 57.367 54.840 0.249 0.000 0.776 181 L CB -0.547 41.631 42.059 0.199 0.000 0.891 181 L HN 0.361 nan 8.230 nan 0.000 0.437 182 R N -1.665 118.861 120.500 0.044 0.000 2.509 182 R HA 0.212 4.550 4.340 -0.002 0.000 0.300 182 R C 0.233 176.510 176.300 -0.037 0.000 0.985 182 R CA -0.204 55.914 56.100 0.029 0.000 1.092 182 R CB 0.339 30.702 30.300 0.105 0.000 1.237 182 R HN 0.182 nan 8.270 nan 0.000 0.546 183 M N 1.440 120.953 119.600 -0.145 0.000 2.107 183 M HA -0.263 4.215 4.480 -0.002 0.000 0.190 183 M C -0.771 175.513 176.300 -0.027 0.000 0.436 183 M CA 1.524 56.744 55.300 -0.134 0.000 0.393 183 M CB -1.639 30.815 32.600 -0.243 0.000 1.003 183 M HN 0.093 nan 8.290 nan 0.000 0.939 184 K N -0.155 120.279 120.400 0.058 0.000 2.316 184 K HA 0.784 5.103 4.320 -0.002 0.000 0.251 184 K C -0.287 176.417 176.600 0.173 0.000 0.934 184 K CA -0.422 55.915 56.287 0.083 0.000 0.802 184 K CB 2.244 34.828 32.500 0.141 0.000 1.171 184 K HN 0.325 nan 8.250 nan 0.000 0.426 185 A N 2.701 125.551 122.820 0.050 0.000 2.318 185 A HA 0.671 4.989 4.320 -0.002 0.000 0.324 185 A C -1.506 176.117 177.584 0.064 0.000 1.170 185 A CA -0.475 51.613 52.037 0.085 0.000 0.810 185 A CB 0.384 19.367 19.000 -0.028 0.000 1.198 185 A HN 0.571 nan 8.150 nan 0.000 0.484 186 Y N -0.255 119.936 120.300 -0.182 0.000 2.662 186 Y HA 0.847 5.396 4.550 -0.002 0.000 0.335 186 Y C 0.763 176.403 175.900 -0.434 0.000 1.066 186 Y CA -0.860 57.075 58.100 -0.275 0.000 1.116 186 Y CB 1.912 40.205 38.460 -0.280 0.000 1.308 186 Y HN 0.704 nan 8.280 nan 0.000 0.502 187 T N -0.615 113.693 114.554 -0.410 0.000 2.812 187 T HA 0.708 5.057 4.350 -0.002 0.000 0.294 187 T C -2.340 171.778 174.700 -0.970 0.000 1.159 187 T CA -0.583 61.153 62.100 -0.607 0.000 1.008 187 T CB 0.747 69.460 68.868 -0.260 0.000 1.289 187 T HN 0.353 nan 8.240 nan 0.000 0.514 188 Y N 0.254 120.527 120.300 -0.044 0.000 2.322 188 Y HA 0.521 5.070 4.550 -0.002 0.000 0.324 188 Y C 0.905 176.803 175.900 -0.003 0.000 1.027 188 Y CA -0.910 57.179 58.100 -0.018 0.000 1.179 188 Y CB 1.948 40.379 38.460 -0.049 0.000 1.136 188 Y HN 0.774 nan 8.280 nan 0.000 0.449 189 G N 1.707 110.586 108.800 0.131 0.000 2.744 189 G HA2 0.066 4.025 3.960 -0.002 0.000 0.211 189 G HA3 0.066 4.025 3.960 -0.002 0.000 0.211 189 G C 0.178 175.141 174.900 0.105 0.000 1.146 189 G CA 0.337 45.489 45.100 0.086 0.000 0.787 189 G HN 0.627 nan 8.290 nan 0.000 0.534 190 N N -0.498 118.285 118.700 0.139 0.000 3.479 190 N HA 0.343 5.081 4.740 -0.002 0.000 0.336 190 N C -0.770 174.826 175.510 0.143 0.000 1.623 190 N CA -0.293 52.832 53.050 0.125 0.000 0.759 190 N CB 0.604 39.155 38.487 0.106 0.000 2.016 190 N HN -0.081 nan 8.380 nan 0.000 0.637 191 D N -1.313 119.157 120.400 0.117 0.000 2.582 191 D HA 0.099 4.737 4.640 -0.002 0.000 0.246 191 D C 0.215 176.569 176.300 0.090 0.000 1.334 191 D CA -0.240 53.827 54.000 0.111 0.000 0.805 191 D CB 0.102 40.959 40.800 0.096 0.000 1.087 191 D HN 0.260 nan 8.370 nan 0.000 0.499 192 L N 1.264 122.548 121.223 0.102 0.000 2.446 192 L HA 0.243 4.581 4.340 -0.002 0.000 0.219 192 L C 0.929 177.893 176.870 0.156 0.000 1.116 192 L CA 1.779 56.678 54.840 0.100 0.000 0.844 192 L CB -0.875 41.240 42.059 0.093 0.000 0.970 192 L HN 0.383 nan 8.230 nan 0.000 0.457 193 G N 0.163 109.080 108.800 0.195 0.000 2.470 193 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.286 193 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.286 193 G C 0.522 175.583 174.900 0.268 0.000 1.115 193 G CA 0.574 45.845 45.100 0.286 0.000 1.122 193 G HN 0.412 nan 8.290 nan 0.000 0.522 194 T N -3.069 111.606 114.554 0.201 0.000 3.388 194 T HA 0.249 4.597 4.350 -0.002 0.000 0.254 194 T C 0.604 175.386 174.700 0.137 0.000 1.002 194 T CA 0.574 62.772 62.100 0.164 0.000 1.164 194 T CB 0.418 69.367 68.868 0.135 0.000 1.184 194 T HN 0.261 nan 8.240 nan 0.000 0.399 195 D N 2.640 123.116 120.400 0.127 0.000 2.470 195 D HA 0.256 4.894 4.640 -0.002 0.000 0.226 195 D C 0.557 176.926 176.300 0.115 0.000 1.196 195 D CA -0.114 53.947 54.000 0.101 0.000 0.979 195 D CB 0.105 40.955 40.800 0.083 0.000 1.059 195 D HN 0.563 nan 8.370 nan 0.000 0.515 196 I N 0.460 121.092 120.570 0.103 0.000 5.339 196 I HA 0.652 4.821 4.170 -0.002 0.000 0.166 196 I C -0.073 176.028 176.117 -0.026 0.000 1.188 196 I CA -0.954 60.393 61.300 0.078 0.000 1.788 196 I CB 0.367 38.455 38.000 0.147 0.000 1.416 196 I HN 0.049 nan 8.210 nan 0.000 0.520 197 R N 0.531 121.010 120.500 -0.035 0.000 6.154 197 R HA -0.023 4.316 4.340 -0.002 0.000 0.210 197 R C -1.567 174.639 176.300 -0.156 0.000 0.867 197 R CA 0.187 56.242 56.100 -0.075 0.000 1.350 197 R CB -0.468 29.788 30.300 -0.072 0.000 1.332 197 R HN 0.885 nan 8.270 nan 0.000 0.696 198 E N 3.529 123.570 120.200 -0.265 0.000 2.261 198 E HA 0.360 4.709 4.350 -0.002 0.000 0.239 198 E C -0.321 176.091 176.600 -0.314 0.000 0.991 198 E CA -0.688 55.398 56.400 -0.522 0.000 0.847 198 E CB 0.080 29.265 29.700 -0.857 0.000 1.223 198 E HN 0.420 nan 8.360 nan 0.000 0.446 199 I N -0.309 120.135 120.570 -0.209 0.000 2.325 199 I HA 0.379 4.548 4.170 -0.002 0.000 0.291 199 I C -2.249 173.801 176.117 -0.112 0.000 1.019 199 I CA -2.732 58.486 61.300 -0.135 0.000 1.302 199 I CB 0.366 38.305 38.000 -0.102 0.000 1.401 199 I HN 0.109 nan 8.210 nan 0.000 0.485 200 P HA -0.030 nan 4.420 nan 0.000 0.271 200 P C -0.203 177.075 177.300 -0.038 0.000 1.228 200 P CA -0.061 63.001 63.100 -0.064 0.000 0.797 200 P CB 0.302 31.973 31.700 -0.049 0.000 0.914 201 I N 1.771 122.331 120.570 -0.017 0.000 2.668 201 I HA 0.037 4.206 4.170 -0.002 0.000 0.285 201 I C -1.392 174.748 176.117 0.038 0.000 1.168 201 I CA -1.311 59.995 61.300 0.009 0.000 1.424 201 I CB -1.317 36.706 38.000 0.038 0.000 1.377 201 I HN 0.257 nan 8.210 nan 0.000 0.560 202 P HA 0.178 nan 4.420 nan 0.000 0.287 202 P C 0.409 177.780 177.300 0.119 0.000 1.281 202 P CA -0.280 62.871 63.100 0.086 0.000 0.781 202 P CB 1.443 33.203 31.700 0.100 0.000 0.903 203 E N 2.621 122.865 120.200 0.073 0.000 3.620 203 E HA -0.352 3.997 4.350 -0.002 0.000 0.491 203 E C 1.408 178.053 176.600 0.075 0.000 1.639 203 E CA 2.512 58.948 56.400 0.061 0.000 1.210 203 E CB -0.898 28.830 29.700 0.046 0.000 1.098 203 E HN 0.705 nan 8.360 nan 0.000 0.362 204 E N -0.402 119.833 120.200 0.057 0.000 3.159 204 E HA -0.313 4.035 4.350 -0.002 0.000 0.430 204 E C 1.638 178.294 176.600 0.093 0.000 0.815 204 E CA 1.409 57.820 56.400 0.020 0.000 2.646 204 E CB -1.012 28.634 29.700 -0.090 0.000 0.799 204 E HN 0.521 nan 8.360 nan 0.000 0.510 205 Y N 0.132 120.457 120.300 0.043 0.000 2.573 205 Y HA -0.440 4.108 4.550 -0.002 0.000 0.468 205 Y C 2.464 178.396 175.900 0.055 0.000 0.973 205 Y CA 2.065 60.200 58.100 0.058 0.000 3.076 205 Y CB -1.968 36.530 38.460 0.063 0.000 0.974 205 Y HN 0.424 nan 8.280 nan 0.000 0.605 206 L N -0.258 121.112 121.223 0.245 0.000 2.794 206 L HA -0.492 3.846 4.340 -0.002 0.000 0.221 206 L C 2.054 178.997 176.870 0.122 0.000 2.447 206 L CA 3.134 58.059 54.840 0.141 0.000 0.715 206 L CB -1.732 40.383 42.059 0.093 0.000 1.804 206 L HN 0.774 nan 8.230 nan 0.000 0.389 207 D N -1.059 119.394 120.400 0.089 0.000 2.303 207 D HA -0.369 4.270 4.640 -0.002 0.000 0.190 207 D C 1.915 178.255 176.300 0.067 0.000 1.011 207 D CA 2.672 56.705 54.000 0.055 0.000 0.860 207 D CB -0.371 40.445 40.800 0.027 0.000 0.961 207 D HN 0.764 nan 8.370 nan 0.000 0.453 208 Q N 0.484 120.355 119.800 0.119 0.000 2.118 208 Q HA -0.237 4.102 4.340 -0.002 0.000 0.211 208 Q C 1.950 178.077 176.000 0.212 0.000 0.998 208 Q CA 2.343 58.250 55.803 0.172 0.000 0.872 208 Q CB -0.313 28.610 28.738 0.309 0.000 0.925 208 Q HN 0.400 nan 8.270 nan 0.000 0.414 209 A N 0.910 123.871 122.820 0.234 0.000 2.848 209 A HA -0.286 4.033 4.320 -0.002 0.000 0.181 209 A C 1.315 179.003 177.584 0.173 0.000 1.005 209 A CA 1.669 53.845 52.037 0.231 0.000 1.013 209 A CB -0.827 18.260 19.000 0.146 0.000 0.808 209 A HN 0.559 nan 8.150 nan 0.000 0.570 210 R N -0.419 120.165 120.500 0.141 0.000 3.197 210 R HA -0.361 3.977 4.340 -0.002 0.000 0.533 210 R C 1.802 178.152 176.300 0.083 0.000 0.609 210 R CA 2.670 58.845 56.100 0.125 0.000 0.323 210 R CB -1.966 28.371 30.300 0.061 0.000 0.589 210 R HN 0.957 nan 8.270 nan 0.000 0.241 211 E N -0.234 119.933 120.200 -0.054 0.000 2.164 211 E HA -0.276 4.073 4.350 -0.002 0.000 0.206 211 E C 1.971 178.478 176.600 -0.154 0.000 1.032 211 E CA 2.437 58.734 56.400 -0.172 0.000 0.832 211 E CB -0.636 28.832 29.700 -0.387 0.000 0.742 211 E HN 0.671 nan 8.360 nan 0.000 0.460 212 Y N -0.441 119.905 120.300 0.078 0.000 2.519 212 Y HA 0.028 4.577 4.550 -0.002 0.000 0.287 212 Y C 2.169 178.123 175.900 0.089 0.000 1.128 212 Y CA 1.019 59.165 58.100 0.075 0.000 1.282 212 Y CB -0.348 38.177 38.460 0.108 0.000 1.027 212 Y HN 0.266 nan 8.280 nan 0.000 0.551 213 H N 0.238 119.393 119.070 0.143 0.000 2.548 213 H HA 0.017 4.572 4.556 -0.002 0.000 0.268 213 H C 1.432 176.786 175.328 0.044 0.000 0.975 213 H CA 1.125 57.225 56.048 0.086 0.000 1.195 213 H CB 0.367 30.177 29.762 0.081 0.000 1.397 213 H HN 0.189 nan 8.280 nan 0.000 0.572 214 E N 0.464 120.624 120.200 -0.067 0.000 2.099 214 E HA -0.018 4.330 4.350 -0.002 0.000 0.191 214 E C 1.898 178.401 176.600 -0.161 0.000 0.962 214 E CA 0.389 56.707 56.400 -0.136 0.000 0.826 214 E CB -0.018 29.679 29.700 -0.004 0.000 0.788 214 E HN 0.406 nan 8.360 nan 0.000 0.461 215 K N 1.464 121.825 120.400 -0.064 0.000 2.063 215 K HA -0.067 4.252 4.320 -0.002 0.000 0.208 215 K C 2.335 178.889 176.600 -0.077 0.000 1.048 215 K CA 0.771 57.026 56.287 -0.052 0.000 0.928 215 K CB -0.206 32.316 32.500 0.036 0.000 0.713 215 K HN 0.023 nan 8.250 nan 0.000 0.442 216 L N 0.808 122.006 121.223 -0.042 0.000 1.971 216 L HA -0.239 4.100 4.340 -0.002 0.000 0.215 216 L C 2.096 178.901 176.870 -0.109 0.000 1.072 216 L CA 1.507 56.324 54.840 -0.037 0.000 0.758 216 L CB -0.228 41.842 42.059 0.017 0.000 0.889 216 L HN 0.003 nan 8.230 nan 0.000 0.433 217 V N 0.085 119.870 119.914 -0.215 0.000 2.515 217 V HA -0.239 3.880 4.120 -0.002 0.000 0.250 217 V C 2.549 178.416 176.094 -0.378 0.000 1.058 217 V CA 1.863 64.002 62.300 -0.267 0.000 1.064 217 V CB -0.594 31.002 31.823 -0.377 0.000 0.675 217 V HN 0.571 nan 8.190 nan 0.000 0.461 218 E N 0.217 120.138 120.200 -0.464 0.000 2.153 218 E HA -0.182 4.167 4.350 -0.002 0.000 0.194 218 E C 2.138 178.580 176.600 -0.262 0.000 0.988 218 E CA 1.572 57.667 56.400 -0.509 0.000 0.811 218 E CB 0.086 29.567 29.700 -0.366 0.000 0.746 218 E HN 0.457 nan 8.360 nan 0.000 0.466 219 V N 1.305 121.114 119.914 -0.174 0.000 2.302 219 V HA -0.147 3.971 4.120 -0.002 0.000 0.243 219 V C 2.552 178.565 176.094 -0.135 0.000 1.036 219 V CA 1.574 63.794 62.300 -0.132 0.000 1.020 219 V CB -0.810 30.979 31.823 -0.057 0.000 0.657 219 V HN 0.384 nan 8.190 nan 0.000 0.453 220 A N -0.018 122.790 122.820 -0.019 0.000 2.194 220 A HA -0.122 4.197 4.320 -0.002 0.000 0.220 220 A C 2.282 179.897 177.584 0.052 0.000 1.162 220 A CA 1.861 53.970 52.037 0.120 0.000 0.674 220 A CB -0.590 18.463 19.000 0.088 0.000 0.789 220 A HN 0.586 nan 8.150 nan 0.000 0.470 221 A N -0.059 122.710 122.820 -0.085 0.000 1.929 221 A HA -0.110 4.208 4.320 -0.002 0.000 0.216 221 A C 1.513 179.046 177.584 -0.086 0.000 1.176 221 A CA 1.326 53.316 52.037 -0.079 0.000 0.628 221 A CB -0.353 18.567 19.000 -0.134 0.000 0.816 221 A HN 0.481 nan 8.150 nan 0.000 0.444 222 D N -1.439 118.815 120.400 -0.244 0.000 2.379 222 D HA 0.019 4.658 4.640 -0.002 0.000 0.243 222 D C 0.317 176.377 176.300 -0.399 0.000 1.088 222 D CA 0.633 54.421 54.000 -0.354 0.000 0.925 222 D CB -0.006 40.481 40.800 -0.521 0.000 0.888 222 D HN 0.442 nan 8.370 nan 0.000 0.529 223 F N 0.213 120.167 119.950 0.007 0.000 2.495 223 F HA 0.172 4.697 4.527 -0.002 0.000 0.272 223 F C 0.706 176.517 175.800 0.018 0.000 0.919 223 F CA -0.056 57.953 58.000 0.015 0.000 1.178 223 F CB 0.428 39.439 39.000 0.019 0.000 1.030 223 F HN -0.294 nan 8.300 nan 0.000 0.777 224 D N 1.124 121.647 120.400 0.205 0.000 2.408 224 D HA 0.177 4.815 4.640 -0.002 0.000 0.243 224 D C 0.967 177.318 176.300 0.085 0.000 1.075 224 D CA 0.040 54.114 54.000 0.124 0.000 0.832 224 D CB 1.647 42.512 40.800 0.109 0.000 1.162 224 D HN 0.216 nan 8.370 nan 0.000 0.515 225 E N 2.269 122.511 120.200 0.070 0.000 2.204 225 E HA -0.186 4.163 4.350 -0.002 0.000 0.194 225 E C 0.690 177.324 176.600 0.058 0.000 0.989 225 E CA 0.859 57.294 56.400 0.057 0.000 0.824 225 E CB -0.062 29.667 29.700 0.047 0.000 0.756 225 E HN 0.269 nan 8.360 nan 0.000 0.477 226 N N 1.322 120.057 118.700 0.057 0.000 2.104 226 N HA -0.062 4.676 4.740 -0.002 0.000 0.190 226 N C 1.711 177.260 175.510 0.064 0.000 1.024 226 N CA 1.212 54.295 53.050 0.056 0.000 0.853 226 N CB -0.221 38.297 38.487 0.051 0.000 1.008 226 N HN 0.228 nan 8.380 nan 0.000 0.424 227 I N 0.368 120.976 120.570 0.063 0.000 3.680 227 I HA -0.009 4.160 4.170 -0.002 0.000 0.306 227 I C 1.623 177.772 176.117 0.053 0.000 1.260 227 I CA 0.220 61.552 61.300 0.054 0.000 1.201 227 I CB -0.194 37.834 38.000 0.045 0.000 1.009 227 I HN 0.294 nan 8.210 nan 0.000 0.467 228 M N 0.311 119.959 119.600 0.079 0.000 2.751 228 M HA 0.035 4.514 4.480 -0.002 0.000 0.252 228 M C 1.907 178.306 176.300 0.166 0.000 1.264 228 M CA 1.202 56.572 55.300 0.116 0.000 1.237 228 M CB 0.121 32.767 32.600 0.077 0.000 1.242 228 M HN 0.093 nan 8.290 nan 0.000 0.525 229 L N 1.039 122.324 121.223 0.103 0.000 1.976 229 L HA -0.208 4.131 4.340 -0.002 0.000 0.209 229 L C 2.432 179.353 176.870 0.087 0.000 1.071 229 L CA 1.608 56.493 54.840 0.075 0.000 0.746 229 L CB -1.057 41.032 42.059 0.050 0.000 0.890 229 L HN 0.325 nan 8.230 nan 0.000 0.432 230 K N -0.834 119.621 120.400 0.092 0.000 2.242 230 K HA -0.286 4.032 4.320 -0.002 0.000 0.206 230 K C 2.047 178.729 176.600 0.137 0.000 1.045 230 K CA 1.906 58.249 56.287 0.092 0.000 0.930 230 K CB -0.394 32.157 32.500 0.084 0.000 0.726 230 K HN 0.269 nan 8.250 nan 0.000 0.462 231 Y N 1.346 121.647 120.300 0.001 0.000 2.130 231 Y HA -0.161 4.387 4.550 -0.002 0.000 0.287 231 Y C 1.783 177.679 175.900 -0.007 0.000 1.124 231 Y CA 1.128 59.223 58.100 -0.008 0.000 1.118 231 Y CB -0.358 38.093 38.460 -0.014 0.000 0.994 231 Y HN -0.156 nan 8.280 nan 0.000 0.497 232 L N 0.945 122.076 121.223 -0.154 0.000 2.131 232 L HA -0.175 4.164 4.340 -0.002 0.000 0.210 232 L C 2.189 178.979 176.870 -0.133 0.000 1.092 232 L CA 1.815 56.506 54.840 -0.248 0.000 0.759 232 L CB -1.578 40.401 42.059 -0.133 0.000 0.903 232 L HN 0.417 nan 8.230 nan 0.000 0.435 233 E N -0.394 119.772 120.200 -0.056 0.000 2.106 233 E HA -0.017 4.332 4.350 -0.002 0.000 0.192 233 E C 1.425 178.006 176.600 -0.031 0.000 0.984 233 E CA 0.821 57.203 56.400 -0.030 0.000 0.806 233 E CB -0.050 29.650 29.700 0.000 0.000 0.750 233 E HN 0.571 nan 8.360 nan 0.000 0.458 234 G N 1.606 110.391 108.800 -0.025 0.000 2.148 234 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.157 234 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.157 234 G C -0.190 174.726 174.900 0.027 0.000 1.012 234 G CA 0.010 45.106 45.100 -0.007 0.000 0.677 234 G HN 0.230 nan 8.290 nan 0.000 0.506 235 E N 0.742 120.968 120.200 0.044 0.000 2.202 235 E HA 0.545 4.894 4.350 -0.002 0.000 0.272 235 E C 0.205 176.852 176.600 0.078 0.000 0.951 235 E CA -0.674 55.759 56.400 0.055 0.000 0.813 235 E CB 0.837 30.564 29.700 0.046 0.000 1.151 235 E HN 0.455 nan 8.360 nan 0.000 0.398 236 E N 3.515 123.761 120.200 0.077 0.000 2.227 236 E HA 0.378 4.727 4.350 -0.002 0.000 0.282 236 E C -2.414 174.235 176.600 0.082 0.000 1.015 236 E CA -2.023 54.431 56.400 0.090 0.000 0.823 236 E CB 1.000 30.762 29.700 0.102 0.000 1.081 236 E HN 0.153 nan 8.360 nan 0.000 0.396 237 P HA -0.044 nan 4.420 nan 0.000 0.268 237 P C -0.423 176.924 177.300 0.078 0.000 1.208 237 P CA -0.193 62.949 63.100 0.070 0.000 0.777 237 P CB 0.641 32.374 31.700 0.056 0.000 0.875 238 T N 0.945 115.540 114.554 0.069 0.000 2.901 238 T HA -0.019 4.329 4.350 -0.002 0.000 0.301 238 T C 1.308 176.055 174.700 0.077 0.000 1.012 238 T CA -0.121 62.019 62.100 0.066 0.000 1.135 238 T CB -0.079 68.820 68.868 0.052 0.000 0.936 238 T HN 0.522 nan 8.240 nan 0.000 0.539 239 E N 2.598 122.846 120.200 0.080 0.000 2.394 239 E HA -0.195 4.154 4.350 -0.002 0.000 0.202 239 E C 0.978 177.626 176.600 0.079 0.000 1.029 239 E CA 1.347 57.801 56.400 0.090 0.000 0.855 239 E CB 0.235 29.981 29.700 0.077 0.000 0.770 239 E HN 0.700 nan 8.360 nan 0.000 0.527 240 E N -0.024 120.214 120.200 0.063 0.000 2.330 240 E HA -0.075 4.274 4.350 -0.002 0.000 0.200 240 E C 1.693 178.324 176.600 0.053 0.000 0.922 240 E CA 0.627 57.057 56.400 0.050 0.000 0.935 240 E CB -0.168 29.554 29.700 0.037 0.000 0.917 240 E HN 0.576 nan 8.360 nan 0.000 0.491 241 E N 1.340 121.575 120.200 0.058 0.000 2.299 241 E HA 0.040 4.389 4.350 -0.002 0.000 0.193 241 E C 2.176 178.821 176.600 0.076 0.000 0.998 241 E CA 0.163 56.599 56.400 0.059 0.000 0.851 241 E CB -0.035 29.698 29.700 0.054 0.000 0.795 241 E HN 0.098 nan 8.360 nan 0.000 0.492 242 L N 0.949 122.226 121.223 0.090 0.000 2.049 242 L HA -0.097 4.241 4.340 -0.002 0.000 0.203 242 L C 2.433 179.391 176.870 0.146 0.000 1.074 242 L CA 0.702 55.608 54.840 0.111 0.000 0.749 242 L CB -0.068 42.064 42.059 0.122 0.000 0.907 242 L HN 0.084 nan 8.230 nan 0.000 0.439 243 V N 0.385 120.391 119.914 0.154 0.000 2.380 243 V HA -0.342 3.776 4.120 -0.002 0.000 0.251 243 V C 2.768 178.960 176.094 0.165 0.000 1.063 243 V CA 1.786 64.206 62.300 0.199 0.000 1.055 243 V CB -0.992 30.875 31.823 0.073 0.000 0.657 243 V HN 0.569 nan 8.190 nan 0.000 0.455 244 A N -0.206 122.668 122.820 0.090 0.000 1.940 244 A HA -0.137 4.182 4.320 -0.002 0.000 0.219 244 A C 2.423 180.032 177.584 0.043 0.000 1.176 244 A CA 2.156 54.225 52.037 0.054 0.000 0.631 244 A CB -0.727 18.295 19.000 0.037 0.000 0.814 244 A HN 0.586 nan 8.150 nan 0.000 0.446 245 A N 0.489 123.358 122.820 0.083 0.000 1.835 245 A HA -0.092 4.227 4.320 -0.002 0.000 0.215 245 A C 2.006 179.598 177.584 0.014 0.000 1.199 245 A CA 1.683 53.783 52.037 0.105 0.000 0.615 245 A CB -0.679 18.444 19.000 0.205 0.000 0.838 245 A HN 0.393 nan 8.150 nan 0.000 0.444 246 I N -0.079 120.569 120.570 0.131 0.000 2.113 246 I HA -0.300 3.869 4.170 -0.002 0.000 0.242 246 I C 2.613 178.762 176.117 0.053 0.000 1.057 246 I CA 2.299 63.674 61.300 0.124 0.000 1.314 246 I CB -1.416 36.695 38.000 0.186 0.000 1.022 246 I HN 0.487 nan 8.210 nan 0.000 0.408 247 R N 1.184 121.790 120.500 0.177 0.000 2.070 247 R HA -0.201 4.138 4.340 -0.002 0.000 0.233 247 R C 2.333 178.586 176.300 -0.077 0.000 1.137 247 R CA 1.753 57.929 56.100 0.127 0.000 0.945 247 R CB -0.280 30.091 30.300 0.117 0.000 0.845 247 R HN 0.249 nan 8.270 nan 0.000 0.430 248 K N -0.329 119.972 120.400 -0.164 0.000 2.442 248 K HA -0.072 4.247 4.320 -0.002 0.000 0.198 248 K C 1.434 177.712 176.600 -0.536 0.000 1.042 248 K CA 1.389 57.524 56.287 -0.252 0.000 0.958 248 K CB 0.070 32.449 32.500 -0.201 0.000 0.766 248 K HN 0.386 nan 8.250 nan 0.000 0.474 249 G N -0.355 107.957 108.800 -0.813 0.000 2.576 249 G HA2 -0.081 3.877 3.960 -0.002 0.000 0.210 249 G HA3 -0.081 3.877 3.960 -0.002 0.000 0.210 249 G C 1.303 175.974 174.900 -0.381 0.000 1.143 249 G CA 0.284 44.523 45.100 -1.435 0.000 0.819 249 G HN 0.269 nan 8.290 nan 0.000 0.534 250 T N 2.190 116.647 114.554 -0.161 0.000 2.643 250 T HA -0.105 4.243 4.350 -0.002 0.000 0.264 250 T C 2.317 176.996 174.700 -0.035 0.000 1.045 250 T CA 1.117 63.208 62.100 -0.014 0.000 1.155 250 T CB -0.338 68.551 68.868 0.035 0.000 0.863 250 T HN 0.208 nan 8.240 nan 0.000 0.420 251 I N 1.919 122.452 120.570 -0.061 0.000 2.550 251 I HA -0.262 3.906 4.170 -0.002 0.000 0.265 251 I C 1.309 177.387 176.117 -0.066 0.000 1.156 251 I CA 1.206 62.469 61.300 -0.061 0.000 1.431 251 I CB -0.565 37.394 38.000 -0.068 0.000 1.110 251 I HN 0.225 nan 8.210 nan 0.000 0.455 252 D N -0.125 120.238 120.400 -0.061 0.000 2.379 252 D HA 0.215 4.854 4.640 -0.002 0.000 0.208 252 D C 0.640 176.936 176.300 -0.008 0.000 1.065 252 D CA -0.001 53.981 54.000 -0.030 0.000 0.848 252 D CB 0.382 41.181 40.800 -0.002 0.000 0.949 252 D HN 0.041 nan 8.370 nan 0.000 0.509 253 L N 0.478 121.697 121.223 -0.007 0.000 3.512 253 L HA -0.207 4.132 4.340 -0.002 0.000 0.446 253 L C 0.863 177.785 176.870 0.086 0.000 1.290 253 L CA 0.442 55.279 54.840 -0.005 0.000 0.871 253 L CB -1.335 40.674 42.059 -0.082 0.000 1.767 253 L HN 0.037 nan 8.230 nan 0.000 0.855 254 K N -0.869 119.621 120.400 0.150 0.000 2.399 254 K HA 0.491 4.810 4.320 -0.002 0.000 0.196 254 K C 0.734 177.475 176.600 0.237 0.000 1.103 254 K CA 0.261 56.675 56.287 0.211 0.000 0.986 254 K CB 1.529 34.216 32.500 0.312 0.000 0.952 254 K HN 0.499 nan 8.250 nan 0.000 0.541 255 I N 0.255 120.969 120.570 0.239 0.000 3.145 255 I HA 0.318 4.486 4.170 -0.002 0.000 0.313 255 I C -1.473 174.774 176.117 0.216 0.000 1.122 255 I CA -0.567 60.865 61.300 0.220 0.000 0.987 255 I CB 2.722 40.870 38.000 0.247 0.000 1.236 255 I HN -0.103 nan 8.210 nan 0.000 0.453 256 T N 4.405 119.071 114.554 0.186 0.000 3.089 256 T HA 0.350 4.699 4.350 -0.002 0.000 0.340 256 T C -2.701 172.075 174.700 0.128 0.000 1.008 256 T CA -0.806 61.420 62.100 0.210 0.000 1.096 256 T CB 1.134 70.193 68.868 0.319 0.000 1.024 256 T HN 0.291 nan 8.240 nan 0.000 0.477 257 P HA 0.187 nan 4.420 nan 0.000 0.264 257 P C -0.401 177.072 177.300 0.289 0.000 1.236 257 P CA -0.186 62.989 63.100 0.124 0.000 0.811 257 P CB 0.292 32.075 31.700 0.138 0.000 0.840 258 V N 6.067 125.988 119.914 0.011 0.000 2.407 258 V HA 0.365 4.484 4.120 -0.002 0.000 0.278 258 V C 0.175 176.196 176.094 -0.121 0.000 1.037 258 V CA 0.214 62.538 62.300 0.041 0.000 0.900 258 V CB -0.060 31.685 31.823 -0.130 0.000 0.983 258 V HN 0.346 nan 8.190 nan 0.000 0.459 259 F N 4.888 124.830 119.950 -0.013 0.000 2.782 259 F HA 0.848 5.374 4.527 -0.002 0.000 0.366 259 F C -0.044 175.746 175.800 -0.016 0.000 1.171 259 F CA -0.995 57.024 58.000 0.032 0.000 1.064 259 F CB 1.280 40.372 39.000 0.154 0.000 1.449 259 F HN 0.275 nan 8.300 nan 0.000 0.520 260 L N -1.029 120.365 121.223 0.286 0.000 2.999 260 L HA 0.923 5.262 4.340 -0.002 0.000 0.274 260 L C -0.899 176.099 176.870 0.214 0.000 1.044 260 L CA -0.840 53.977 54.840 -0.038 0.000 0.943 260 L CB 1.228 43.214 42.059 -0.122 0.000 1.522 260 L HN 1.033 nan 8.230 nan 0.000 0.400 261 G N -0.025 108.809 108.800 0.055 0.000 2.351 261 G HA2 0.225 4.184 3.960 -0.002 0.000 0.472 261 G HA3 0.225 4.184 3.960 -0.002 0.000 0.472 261 G C -0.839 174.182 174.900 0.202 0.000 1.570 261 G CA -0.117 45.168 45.100 0.309 0.000 0.921 261 G HN 1.127 nan 8.290 nan 0.000 0.674 262 S N 0.688 116.439 115.700 0.086 0.000 2.506 262 S HA 0.436 4.904 4.470 -0.002 0.000 0.291 262 S C 1.796 176.456 174.600 0.099 0.000 1.230 262 S CA 0.928 59.114 58.200 -0.023 0.000 1.107 262 S CB 0.386 63.528 63.200 -0.097 0.000 0.942 262 S HN 2.045 nan 8.310 nan 0.000 0.502 263 A N 5.580 128.470 122.820 0.117 0.000 2.015 263 A HA 0.009 4.328 4.320 -0.002 0.000 0.219 263 A C 1.965 179.551 177.584 0.002 0.000 1.163 263 A CA 1.014 53.100 52.037 0.081 0.000 0.646 263 A CB -0.469 18.587 19.000 0.094 0.000 0.806 263 A HN 0.866 nan 8.150 nan 0.000 0.448 264 L N -0.940 120.278 121.223 -0.007 0.000 2.056 264 L HA -0.070 4.269 4.340 -0.002 0.000 0.207 264 L C 1.803 178.665 176.870 -0.014 0.000 1.078 264 L CA 1.418 56.240 54.840 -0.031 0.000 0.749 264 L CB -0.105 41.934 42.059 -0.033 0.000 0.901 264 L HN 0.241 nan 8.230 nan 0.000 0.433 265 K N 0.178 120.593 120.400 0.026 0.000 2.410 265 K HA 0.107 4.426 4.320 -0.002 0.000 0.200 265 K C -0.409 176.236 176.600 0.076 0.000 1.023 265 K CA -0.097 56.230 56.287 0.067 0.000 1.149 265 K CB 0.157 32.732 32.500 0.125 0.000 0.859 265 K HN 0.335 nan 8.250 nan 0.000 0.514 266 N N 2.268 121.004 118.700 0.061 0.000 2.648 266 N HA -0.166 4.572 4.740 -0.002 0.000 0.265 266 N C -1.248 174.232 175.510 -0.050 0.000 1.100 266 N CA 1.122 54.243 53.050 0.118 0.000 0.715 266 N CB -1.046 37.581 38.487 0.233 0.000 0.881 266 N HN 0.331 nan 8.380 nan 0.000 0.548 267 K N -0.239 120.088 120.400 -0.122 0.000 2.565 267 K HA 0.512 4.831 4.320 -0.002 0.000 0.249 267 K C 0.854 177.305 176.600 -0.248 0.000 0.958 267 K CA -0.106 55.852 56.287 -0.549 0.000 0.806 267 K CB 1.856 34.191 32.500 -0.274 0.000 1.194 267 K HN 0.273 nan 8.250 nan 0.000 0.434 268 G N 0.797 109.399 108.800 -0.330 0.000 2.175 268 G HA2 -0.273 3.686 3.960 -0.002 0.000 0.244 268 G HA3 -0.273 3.686 3.960 -0.002 0.000 0.244 268 G C 0.659 175.588 174.900 0.048 0.000 0.982 268 G CA 0.356 45.483 45.100 0.045 0.000 0.641 268 G HN 0.356 nan 8.290 nan 0.000 0.527 269 V N 0.322 120.214 119.914 -0.036 0.000 2.331 269 V HA -0.056 4.063 4.120 -0.002 0.000 0.242 269 V C 2.587 178.572 176.094 -0.182 0.000 1.034 269 V CA 2.397 64.659 62.300 -0.063 0.000 1.027 269 V CB -0.676 31.270 31.823 0.205 0.000 0.667 269 V HN 0.431 nan 8.190 nan 0.000 0.457 270 Q N -0.435 119.217 119.800 -0.247 0.000 2.297 270 Q HA -0.132 4.206 4.340 -0.002 0.000 0.208 270 Q C 2.087 178.075 176.000 -0.021 0.000 0.981 270 Q CA 1.363 57.009 55.803 -0.262 0.000 0.876 270 Q CB -0.073 28.547 28.738 -0.196 0.000 0.921 270 Q HN 0.600 nan 8.270 nan 0.000 0.446 271 L N -0.883 120.333 121.223 -0.012 0.000 2.354 271 L HA -0.057 4.281 4.340 -0.002 0.000 0.212 271 L C 1.942 178.833 176.870 0.035 0.000 1.091 271 L CA -0.060 54.812 54.840 0.053 0.000 0.828 271 L CB -0.058 42.029 42.059 0.046 0.000 0.973 271 L HN 0.186 nan 8.230 nan 0.000 0.461 272 L N -0.133 121.043 121.223 -0.079 0.000 2.179 272 L HA -0.063 4.276 4.340 -0.002 0.000 0.208 272 L C 2.183 178.891 176.870 -0.269 0.000 1.096 272 L CA 1.538 56.248 54.840 -0.217 0.000 0.779 272 L CB -0.327 41.538 42.059 -0.322 0.000 0.922 272 L HN 0.106 nan 8.230 nan 0.000 0.443 273 L N -0.503 120.534 121.223 -0.311 0.000 2.042 273 L HA -0.253 4.086 4.340 -0.002 0.000 0.210 273 L C 2.210 179.068 176.870 -0.021 0.000 1.076 273 L CA 1.481 56.074 54.840 -0.412 0.000 0.749 273 L CB -0.649 40.671 42.059 -1.231 0.000 0.893 273 L HN 0.332 nan 8.230 nan 0.000 0.432 274 D N -0.042 120.472 120.400 0.190 0.000 2.084 274 D HA -0.178 4.461 4.640 -0.002 0.000 0.194 274 D C 2.231 178.563 176.300 0.054 0.000 0.990 274 D CA 1.471 55.621 54.000 0.250 0.000 0.826 274 D CB -0.187 40.755 40.800 0.237 0.000 0.971 274 D HN 0.326 nan 8.370 nan 0.000 0.453 275 A N 1.086 123.918 122.820 0.020 0.000 2.009 275 A HA -0.222 4.097 4.320 -0.002 0.000 0.222 275 A C 2.433 179.985 177.584 -0.053 0.000 1.175 275 A CA 1.528 53.546 52.037 -0.032 0.000 0.651 275 A CB -0.837 17.758 19.000 -0.676 0.000 0.815 275 A HN 0.149 nan 8.150 nan 0.000 0.459 276 V N -0.807 119.041 119.914 -0.111 0.000 2.245 276 V HA -0.247 3.871 4.120 -0.002 0.000 0.233 276 V C 2.441 178.468 176.094 -0.112 0.000 1.028 276 V CA 1.903 64.141 62.300 -0.103 0.000 0.991 276 V CB -1.179 30.585 31.823 -0.098 0.000 0.640 276 V HN 0.483 nan 8.190 nan 0.000 0.461 277 V N 0.888 120.703 119.914 -0.166 0.000 2.278 277 V HA -0.397 3.722 4.120 -0.002 0.000 0.251 277 V C 2.111 178.041 176.094 -0.273 0.000 1.062 277 V CA 3.136 65.248 62.300 -0.313 0.000 1.038 277 V CB -1.001 30.471 31.823 -0.584 0.000 0.646 277 V HN 0.813 nan 8.190 nan 0.000 0.447 278 D N -1.287 118.916 120.400 -0.328 0.000 2.190 278 D HA -0.195 4.444 4.640 -0.002 0.000 0.200 278 D C 1.472 177.325 176.300 -0.744 0.000 0.992 278 D CA 2.391 56.024 54.000 -0.613 0.000 0.854 278 D CB -0.148 40.098 40.800 -0.922 0.000 0.936 278 D HN 0.777 nan 8.370 nan 0.000 0.462 279 Y N -1.483 118.814 120.300 -0.006 0.000 2.437 279 Y HA 0.263 4.812 4.550 -0.002 0.000 0.266 279 Y C 0.088 175.973 175.900 -0.023 0.000 1.077 279 Y CA -0.604 57.498 58.100 0.003 0.000 1.235 279 Y CB 0.556 39.051 38.460 0.057 0.000 1.303 279 Y HN -0.173 nan 8.280 nan 0.000 0.536 280 L N 5.560 126.823 121.223 0.066 0.000 2.315 280 L HA 0.264 4.603 4.340 -0.002 0.000 0.283 280 L C -2.199 174.666 176.870 -0.009 0.000 1.089 280 L CA -1.982 52.869 54.840 0.019 0.000 0.833 280 L CB 0.053 42.102 42.059 -0.018 0.000 1.170 280 L HN -0.056 nan 8.230 nan 0.000 0.442 281 P HA 0.003 nan 4.420 nan 0.000 0.267 281 P C -0.188 177.113 177.300 0.002 0.000 1.200 281 P CA -0.126 62.972 63.100 -0.003 0.000 0.772 281 P CB 1.018 32.716 31.700 -0.004 0.000 0.855 282 S N 2.374 118.078 115.700 0.007 0.000 2.617 282 S HA 0.369 4.838 4.470 -0.002 0.000 0.283 282 S C -1.731 172.889 174.600 0.033 0.000 1.189 282 S CA -1.843 56.371 58.200 0.023 0.000 1.036 282 S CB 0.470 63.684 63.200 0.024 0.000 1.014 282 S HN 0.152 nan 8.310 nan 0.000 0.522 283 P HA -0.086 nan 4.420 nan 0.000 0.225 283 P C 0.834 178.171 177.300 0.062 0.000 1.141 283 P CA 0.653 63.797 63.100 0.073 0.000 0.774 283 P CB 0.108 31.866 31.700 0.096 0.000 0.760 284 L N -0.698 120.545 121.223 0.033 0.000 2.269 284 L HA 0.074 4.412 4.340 -0.002 0.000 0.200 284 L C 1.323 178.197 176.870 0.005 0.000 1.069 284 L CA 1.579 56.428 54.840 0.016 0.000 0.804 284 L CB -0.846 41.212 42.059 -0.002 0.000 0.987 284 L HN -0.234 nan 8.230 nan 0.000 0.468 285 D N 0.148 120.549 120.400 0.002 0.000 2.354 285 D HA -0.063 4.576 4.640 -0.002 0.000 0.216 285 D C 0.445 176.738 176.300 -0.012 0.000 0.970 285 D CA 0.884 54.878 54.000 -0.010 0.000 0.905 285 D CB -0.083 40.710 40.800 -0.012 0.000 0.903 285 D HN 0.199 nan 8.370 nan 0.000 0.508 286 I N 0.263 120.835 120.570 0.004 0.000 2.577 286 I HA 0.234 4.403 4.170 -0.002 0.000 0.305 286 I C -2.080 174.041 176.117 0.007 0.000 0.986 286 I CA -2.636 58.666 61.300 0.003 0.000 1.189 286 I CB 0.879 38.898 38.000 0.033 0.000 1.355 286 I HN -0.363 nan 8.210 nan 0.000 0.476 287 P HA 0.211 nan 4.420 nan 0.000 0.269 287 P C -2.366 174.949 177.300 0.024 0.000 1.252 287 P CA -0.753 62.342 63.100 -0.009 0.000 0.780 287 P CB -0.343 31.323 31.700 -0.056 0.000 0.829 288 P HA -0.079 nan 4.420 nan 0.000 0.265 288 P C 0.050 177.343 177.300 -0.010 0.000 1.167 288 P CA 0.599 63.744 63.100 0.075 0.000 0.760 288 P CB 0.317 32.132 31.700 0.191 0.000 0.783 289 I N 2.803 123.305 120.570 -0.113 0.000 2.529 289 I HA 0.081 4.250 4.170 -0.002 0.000 0.284 289 I C 1.038 177.064 176.117 -0.152 0.000 1.082 289 I CA -0.032 61.133 61.300 -0.225 0.000 1.406 289 I CB 0.470 38.115 38.000 -0.592 0.000 1.405 289 I HN 0.280 nan 8.210 nan 0.000 0.548 290 K N 3.754 124.090 120.400 -0.107 0.000 2.098 290 K HA 0.674 4.992 4.320 -0.002 0.000 0.258 290 K C 0.021 176.574 176.600 -0.078 0.000 0.973 290 K CA -0.484 55.756 56.287 -0.079 0.000 0.898 290 K CB 2.083 34.556 32.500 -0.045 0.000 1.057 290 K HN 0.840 nan 8.250 nan 0.000 0.447 291 G N 0.171 108.934 108.800 -0.061 0.000 2.725 291 G HA2 0.475 4.433 3.960 -0.002 0.000 0.288 291 G HA3 0.475 4.433 3.960 -0.002 0.000 0.288 291 G C -1.318 173.566 174.900 -0.026 0.000 1.399 291 G CA -0.416 44.659 45.100 -0.042 0.000 0.859 291 G HN 0.390 nan 8.290 nan 0.000 0.479 292 T N 0.543 115.089 114.554 -0.013 0.000 2.841 292 T HA 0.616 4.965 4.350 -0.002 0.000 0.283 292 T C 0.686 175.386 174.700 0.001 0.000 1.000 292 T CA -0.252 61.844 62.100 -0.007 0.000 0.977 292 T CB 1.481 70.347 68.868 -0.003 0.000 0.979 292 T HN 0.925 nan 8.240 nan 0.000 0.446 293 T N 0.679 115.235 114.554 0.002 0.000 2.754 293 T HA 0.310 4.659 4.350 -0.002 0.000 0.286 293 T C -1.335 173.374 174.700 0.014 0.000 0.997 293 T CA -1.509 60.596 62.100 0.009 0.000 0.982 293 T CB 0.500 69.371 68.868 0.005 0.000 1.027 293 T HN 0.299 nan 8.240 nan 0.000 0.529 294 P HA -0.002 nan 4.420 nan 0.000 0.226 294 P C 0.888 178.196 177.300 0.015 0.000 1.153 294 P CA 0.804 63.917 63.100 0.021 0.000 0.777 294 P CB 0.230 31.945 31.700 0.025 0.000 0.794 295 E N 0.594 120.800 120.200 0.011 0.000 2.021 295 E HA 0.149 4.497 4.350 -0.002 0.000 0.189 295 E C 1.336 177.941 176.600 0.007 0.000 0.980 295 E CA 1.258 57.663 56.400 0.008 0.000 0.803 295 E CB -0.937 28.767 29.700 0.006 0.000 0.766 295 E HN 0.304 nan 8.360 nan 0.000 0.449 296 G N 1.683 110.486 108.800 0.005 0.000 2.607 296 G HA2 0.068 4.027 3.960 -0.002 0.000 0.613 296 G HA3 0.068 4.027 3.960 -0.002 0.000 0.613 296 G C -0.803 174.098 174.900 0.002 0.000 1.099 296 G CA -0.061 45.041 45.100 0.004 0.000 1.280 296 G HN 0.223 nan 8.290 nan 0.000 0.573 297 E N 0.370 120.569 120.200 -0.001 0.000 2.478 297 E HA 0.534 4.883 4.350 -0.002 0.000 0.293 297 E C -0.601 175.994 176.600 -0.009 0.000 1.011 297 E CA -1.053 55.345 56.400 -0.004 0.000 0.834 297 E CB 1.396 31.094 29.700 -0.004 0.000 1.226 297 E HN 0.829 nan 8.360 nan 0.000 0.419 298 V N 2.308 122.216 119.914 -0.011 0.000 3.625 298 V HA 0.404 4.523 4.120 -0.002 0.000 0.302 298 V C -0.317 175.760 176.094 -0.028 0.000 1.112 298 V CA 0.761 63.050 62.300 -0.017 0.000 1.173 298 V CB 1.448 33.263 31.823 -0.014 0.000 1.096 298 V HN 0.762 nan 8.190 nan 0.000 0.486 299 V N 3.471 123.359 119.914 -0.043 0.000 2.859 299 V HA 0.326 4.444 4.120 -0.002 0.000 0.276 299 V C -0.539 175.493 176.094 -0.104 0.000 1.496 299 V CA -0.748 61.511 62.300 -0.069 0.000 0.929 299 V CB 1.707 33.491 31.823 -0.065 0.000 1.147 299 V HN 1.002 nan 8.190 nan 0.000 0.449 300 E N 5.853 125.966 120.200 -0.146 0.000 2.413 300 E HA 0.316 4.665 4.350 -0.002 0.000 0.263 300 E C -0.555 175.861 176.600 -0.307 0.000 1.015 300 E CA -0.168 56.116 56.400 -0.192 0.000 0.916 300 E CB 0.916 30.505 29.700 -0.184 0.000 0.947 300 E HN 0.547 nan 8.360 nan 0.000 0.440 301 I N 3.416 123.880 120.570 -0.177 0.000 2.371 301 I HA 0.162 4.331 4.170 -0.002 0.000 0.282 301 I C -0.171 175.976 176.117 0.051 0.000 1.031 301 I CA -0.349 60.890 61.300 -0.102 0.000 1.180 301 I CB 0.325 38.292 38.000 -0.055 0.000 1.336 301 I HN 0.426 nan 8.210 nan 0.000 0.467 302 H N 7.288 126.386 119.070 0.047 0.000 2.690 302 H HA 0.165 4.719 4.556 -0.002 0.000 0.314 302 H C -1.339 174.041 175.328 0.087 0.000 1.069 302 H CA -1.638 54.445 56.048 0.058 0.000 1.436 302 H CB 1.061 30.849 29.762 0.043 0.000 1.462 302 H HN 0.372 nan 8.280 nan 0.000 0.511 303 P HA -0.134 nan 4.420 nan 0.000 0.296 303 P C -0.285 177.107 177.300 0.154 0.000 1.447 303 P CA 0.401 63.615 63.100 0.189 0.000 0.750 303 P CB -0.376 31.425 31.700 0.167 0.000 1.451 304 D N 1.835 122.323 120.400 0.147 0.000 2.295 304 D HA 0.095 4.734 4.640 -0.002 0.000 0.248 304 D C -1.572 174.801 176.300 0.121 0.000 1.154 304 D CA -2.565 51.506 54.000 0.118 0.000 0.857 304 D CB 0.691 41.552 40.800 0.101 0.000 1.117 304 D HN 0.030 nan 8.370 nan 0.000 0.468 305 P HA 0.059 nan 4.420 nan 0.000 0.286 305 P C -0.714 176.638 177.300 0.087 0.000 1.577 305 P CA 0.228 63.399 63.100 0.118 0.000 0.805 305 P CB 0.032 31.832 31.700 0.167 0.000 1.706 306 N N -1.259 117.489 118.700 0.081 0.000 2.127 306 N HA 0.082 4.821 4.740 -0.002 0.000 0.229 306 N C 0.648 176.195 175.510 0.062 0.000 1.374 306 N CA 0.002 53.091 53.050 0.064 0.000 0.763 306 N CB 1.192 39.716 38.487 0.061 0.000 1.269 306 N HN 0.182 nan 8.380 nan 0.000 0.516 307 G N 1.252 110.095 108.800 0.071 0.000 2.795 307 G HA2 0.529 4.488 3.960 -0.002 0.000 0.267 307 G HA3 0.529 4.488 3.960 -0.002 0.000 0.267 307 G C -2.602 172.335 174.900 0.061 0.000 1.362 307 G CA -1.007 44.133 45.100 0.067 0.000 1.048 307 G HN -0.185 nan 8.290 nan 0.000 0.547 308 P HA 0.066 nan 4.420 nan 0.000 0.267 308 P C -0.524 176.814 177.300 0.064 0.000 1.201 308 P CA -0.257 62.876 63.100 0.054 0.000 0.775 308 P CB 0.871 32.600 31.700 0.048 0.000 0.854 309 L N 1.933 123.193 121.223 0.062 0.000 2.313 309 L HA 0.532 4.871 4.340 -0.002 0.000 0.282 309 L C -0.513 176.401 176.870 0.074 0.000 1.092 309 L CA -0.371 54.506 54.840 0.063 0.000 0.831 309 L CB -0.359 41.730 42.059 0.051 0.000 1.159 309 L HN 0.512 nan 8.230 nan 0.000 0.442 310 A N 4.830 127.706 122.820 0.093 0.000 2.375 310 A HA 0.938 5.256 4.320 -0.002 0.000 0.295 310 A C -0.951 176.717 177.584 0.139 0.000 1.066 310 A CA 0.045 52.156 52.037 0.123 0.000 0.722 310 A CB 1.196 20.287 19.000 0.151 0.000 1.206 310 A HN 1.283 nan 8.150 nan 0.000 0.435 311 A N 2.331 125.209 122.820 0.098 0.000 2.486 311 A HA 0.770 5.089 4.320 -0.002 0.000 0.300 311 A C -1.183 176.444 177.584 0.073 0.000 1.048 311 A CA -0.374 51.688 52.037 0.041 0.000 0.696 311 A CB 1.140 20.116 19.000 -0.041 0.000 1.278 311 A HN 0.987 nan 8.150 nan 0.000 0.405 312 L N 1.250 122.529 121.223 0.093 0.000 2.352 312 L HA 0.833 5.172 4.340 -0.002 0.000 0.269 312 L C 0.439 177.331 176.870 0.036 0.000 1.034 312 L CA -0.572 54.343 54.840 0.125 0.000 0.806 312 L CB 1.856 44.094 42.059 0.299 0.000 1.244 312 L HN 0.945 nan 8.230 nan 0.000 0.447 313 A N 1.649 124.477 122.820 0.013 0.000 2.346 313 A HA 0.739 5.057 4.320 -0.002 0.000 0.313 313 A C -0.721 176.861 177.584 -0.004 0.000 1.140 313 A CA -0.304 51.656 52.037 -0.128 0.000 0.826 313 A CB 1.238 20.163 19.000 -0.125 0.000 1.332 313 A HN 0.761 nan 8.150 nan 0.000 0.457 314 F N -2.391 117.578 119.950 0.031 0.000 3.266 314 F HA 0.497 5.023 4.527 -0.002 0.000 0.360 314 F C -0.421 175.395 175.800 0.026 0.000 1.242 314 F CA -0.643 57.369 58.000 0.020 0.000 0.887 314 F CB 0.113 39.118 39.000 0.009 0.000 1.656 314 F HN 0.322 nan 8.300 nan 0.000 0.491 315 K N 2.671 123.069 120.400 -0.002 0.000 2.670 315 K HA 0.377 4.696 4.320 -0.002 0.000 0.274 315 K C -1.343 175.299 176.600 0.070 0.000 1.068 315 K CA -0.050 56.325 56.287 0.147 0.000 0.967 315 K CB 1.902 34.607 32.500 0.341 0.000 1.297 315 K HN 0.118 nan 8.250 nan 0.000 0.477 316 I N 2.808 123.412 120.570 0.056 0.000 2.783 316 I HA 0.563 4.732 4.170 -0.002 0.000 0.312 316 I C 0.417 176.580 176.117 0.076 0.000 0.988 316 I CA -0.773 60.546 61.300 0.033 0.000 1.182 316 I CB 1.005 39.006 38.000 0.001 0.000 1.368 316 I HN 0.557 nan 8.210 nan 0.000 0.511 317 M N 2.063 121.698 119.600 0.057 0.000 2.414 317 M HA 0.436 4.915 4.480 -0.002 0.000 0.287 317 M C -1.060 175.247 176.300 0.012 0.000 1.181 317 M CA -0.552 54.785 55.300 0.061 0.000 0.933 317 M CB 2.530 35.226 32.600 0.159 0.000 1.732 317 M HN 0.664 nan 8.290 nan 0.000 0.486 318 A N 2.035 124.851 122.820 -0.008 0.000 2.302 318 A HA 0.486 4.804 4.320 -0.002 0.000 0.295 318 A C -0.930 176.620 177.584 -0.058 0.000 1.235 318 A CA -0.054 51.961 52.037 -0.036 0.000 0.876 318 A CB -0.107 18.866 19.000 -0.045 0.000 1.133 318 A HN 0.769 nan 8.150 nan 0.000 0.533 319 D N 2.676 123.033 120.400 -0.073 0.000 2.175 319 D HA 0.508 5.146 4.640 -0.002 0.000 0.248 319 D C -1.762 174.431 176.300 -0.177 0.000 1.047 319 D CA -1.479 52.449 54.000 -0.121 0.000 0.883 319 D CB 1.797 42.550 40.800 -0.079 0.000 1.180 319 D HN 0.197 nan 8.370 nan 0.000 0.438 320 P HA -0.040 nan 4.420 nan 0.000 0.221 320 P C 0.407 177.546 177.300 -0.268 0.000 1.155 320 P CA 0.829 63.721 63.100 -0.348 0.000 0.812 320 P CB 0.219 31.590 31.700 -0.548 0.000 0.801 321 Y N -0.564 119.731 120.300 -0.009 0.000 2.176 321 Y HA -0.020 4.528 4.550 -0.002 0.000 0.291 321 Y C 2.056 177.944 175.900 -0.020 0.000 1.122 321 Y CA 0.570 58.664 58.100 -0.011 0.000 1.128 321 Y CB -1.605 36.851 38.460 -0.006 0.000 1.005 321 Y HN -0.197 nan 8.280 nan 0.000 0.509 322 V N -2.381 117.589 119.914 0.093 0.000 3.483 322 V HA 0.726 4.845 4.120 -0.002 0.000 0.301 322 V C 0.894 176.976 176.094 -0.020 0.000 1.389 322 V CA 0.057 62.377 62.300 0.032 0.000 1.101 322 V CB -0.452 31.379 31.823 0.015 0.000 0.971 322 V HN 0.574 nan 8.190 nan 0.000 0.434 323 G N 1.299 110.078 108.800 -0.034 0.000 2.542 323 G HA2 -0.293 3.666 3.960 -0.002 0.000 0.235 323 G HA3 -0.293 3.666 3.960 -0.002 0.000 0.235 323 G C -0.037 174.827 174.900 -0.059 0.000 1.286 323 G CA 0.063 45.135 45.100 -0.047 0.000 0.904 323 G HN 0.807 nan 8.290 nan 0.000 0.577 324 R N -0.025 120.441 120.500 -0.057 0.000 2.480 324 R HA 0.323 4.662 4.340 -0.002 0.000 0.303 324 R C 0.129 176.371 176.300 -0.097 0.000 0.985 324 R CA 0.252 56.315 56.100 -0.063 0.000 1.051 324 R CB -0.377 29.890 30.300 -0.056 0.000 0.935 324 R HN 0.442 nan 8.270 nan 0.000 0.410 325 L N 3.337 124.495 121.223 -0.108 0.000 2.334 325 L HA 0.445 4.784 4.340 -0.002 0.000 0.273 325 L C -0.101 176.633 176.870 -0.227 0.000 1.013 325 L CA -0.693 54.019 54.840 -0.213 0.000 0.816 325 L CB 2.417 44.323 42.059 -0.255 0.000 1.278 325 L HN 0.734 nan 8.230 nan 0.000 0.431 326 T N -1.072 113.269 114.554 -0.355 0.000 3.209 326 T HA 0.383 4.732 4.350 -0.002 0.000 0.366 326 T C -0.399 174.040 174.700 -0.435 0.000 1.293 326 T CA -0.510 61.410 62.100 -0.299 0.000 1.417 326 T CB -0.374 68.359 68.868 -0.227 0.000 1.013 326 T HN 0.068 nan 8.240 nan 0.000 0.572 327 F N 2.962 122.661 119.950 -0.417 0.000 2.623 327 F HA 0.356 4.882 4.527 -0.002 0.000 0.383 327 F C 0.866 176.039 175.800 -1.045 0.000 1.077 327 F CA -0.316 57.330 58.000 -0.589 0.000 1.268 327 F CB 0.154 38.880 39.000 -0.458 0.000 1.053 327 F HN 0.585 nan 8.300 nan 0.000 0.571 328 I N 0.320 120.599 120.570 -0.485 0.000 2.894 328 I HA 0.651 4.820 4.170 -0.002 0.000 0.302 328 I C -0.944 175.176 176.117 0.004 0.000 1.188 328 I CA -1.463 59.638 61.300 -0.333 0.000 1.014 328 I CB 2.199 40.059 38.000 -0.233 0.000 1.242 328 I HN 0.357 nan 8.210 nan 0.000 0.430 329 R N 4.028 124.559 120.500 0.052 0.000 2.265 329 R HA 0.711 5.050 4.340 -0.002 0.000 0.328 329 R C -1.634 174.388 176.300 -0.463 0.000 0.969 329 R CA -0.582 55.440 56.100 -0.130 0.000 0.832 329 R CB 1.006 31.245 30.300 -0.101 0.000 1.139 329 R HN 0.639 nan 8.270 nan 0.000 0.457 330 V N 6.090 125.787 119.914 -0.361 0.000 2.732 330 V HA 0.229 4.348 4.120 -0.002 0.000 0.297 330 V C 0.077 175.894 176.094 -0.462 0.000 1.060 330 V CA -0.080 62.030 62.300 -0.318 0.000 1.038 330 V CB 0.993 32.737 31.823 -0.132 0.000 1.003 330 V HN 0.798 nan 8.190 nan 0.000 0.481 331 Y N 0.986 121.323 120.300 0.062 0.000 2.817 331 Y HA 0.298 4.847 4.550 -0.002 0.000 0.257 331 Y C 1.501 177.447 175.900 0.077 0.000 1.055 331 Y CA 0.751 58.894 58.100 0.073 0.000 1.319 331 Y CB 0.200 38.699 38.460 0.065 0.000 1.481 331 Y HN 0.615 nan 8.280 nan 0.000 0.471 332 S N -1.083 114.751 115.700 0.223 0.000 2.806 332 S HA 0.601 5.070 4.470 -0.002 0.000 0.315 332 S C 0.413 175.075 174.600 0.104 0.000 1.127 332 S CA -0.073 58.221 58.200 0.156 0.000 0.918 332 S CB 0.729 64.011 63.200 0.137 0.000 1.240 332 S HN 0.810 nan 8.310 nan 0.000 0.552 333 G N 0.804 109.657 108.800 0.088 0.000 2.566 333 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.308 333 G HA3 -0.165 3.794 3.960 -0.002 0.000 0.308 333 G C -0.411 174.517 174.900 0.047 0.000 1.317 333 G CA 0.333 45.472 45.100 0.064 0.000 0.930 333 G HN 1.296 nan 8.290 nan 0.000 0.547 334 T N 0.072 114.642 114.554 0.027 0.000 3.548 334 T HA 0.428 4.776 4.350 -0.002 0.000 0.329 334 T C -0.105 174.588 174.700 -0.011 0.000 0.960 334 T CA -0.111 61.988 62.100 -0.000 0.000 1.041 334 T CB 1.429 70.291 68.868 -0.009 0.000 1.065 334 T HN 1.099 nan 8.240 nan 0.000 0.459 335 L N 3.548 124.754 121.223 -0.028 0.000 2.473 335 L HA 0.673 5.011 4.340 -0.002 0.000 0.268 335 L C -0.133 176.715 176.870 -0.036 0.000 1.215 335 L CA 0.903 55.724 54.840 -0.031 0.000 0.823 335 L CB 0.588 42.617 42.059 -0.050 0.000 1.099 335 L HN 0.648 nan 8.230 nan 0.000 0.483 336 T N 2.276 116.813 114.554 -0.029 0.000 2.886 336 T HA 0.250 4.598 4.350 -0.002 0.000 0.292 336 T C -0.570 174.107 174.700 -0.038 0.000 1.012 336 T CA -0.400 61.682 62.100 -0.030 0.000 0.982 336 T CB 1.332 70.194 68.868 -0.010 0.000 1.018 336 T HN 0.781 nan 8.240 nan 0.000 0.451 337 S N 2.331 118.005 115.700 -0.044 0.000 2.670 337 S HA 0.347 4.815 4.470 -0.002 0.000 0.308 337 S C 1.289 175.868 174.600 -0.034 0.000 1.232 337 S CA 0.787 58.959 58.200 -0.047 0.000 1.126 337 S CB -1.104 62.070 63.200 -0.042 0.000 0.897 337 S HN 1.736 nan 8.310 nan 0.000 0.508 338 G N 3.843 112.614 108.800 -0.049 0.000 2.452 338 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.275 338 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.275 338 G C 0.077 174.979 174.900 0.003 0.000 1.131 338 G CA 0.020 45.100 45.100 -0.033 0.000 1.031 338 G HN 0.954 nan 8.290 nan 0.000 0.511 339 S N -1.227 114.458 115.700 -0.025 0.000 3.848 339 S HA 0.907 5.376 4.470 -0.002 0.000 0.266 339 S C -1.006 173.611 174.600 0.028 0.000 1.050 339 S CA -0.662 57.580 58.200 0.070 0.000 1.322 339 S CB 1.347 64.570 63.200 0.039 0.000 1.264 339 S HN 0.610 nan 8.310 nan 0.000 0.751 340 Y N 0.533 120.836 120.300 0.005 0.000 2.390 340 Y HA 0.500 5.049 4.550 -0.002 0.000 0.324 340 Y C -0.516 175.404 175.900 0.034 0.000 1.151 340 Y CA -0.827 57.283 58.100 0.017 0.000 1.053 340 Y CB 1.433 39.902 38.460 0.016 0.000 1.277 340 Y HN 0.538 nan 8.280 nan 0.000 0.432 341 V N 0.096 120.085 119.914 0.126 0.000 3.145 341 V HA 0.702 4.821 4.120 -0.002 0.000 0.311 341 V C -1.944 174.283 176.094 0.223 0.000 1.238 341 V CA -1.255 61.119 62.300 0.123 0.000 1.066 341 V CB 2.670 34.509 31.823 0.027 0.000 1.144 341 V HN 0.635 nan 8.190 nan 0.000 0.465 342 Y N 1.112 121.430 120.300 0.030 0.000 2.274 342 Y HA 0.432 4.981 4.550 -0.002 0.000 0.323 342 Y C -0.649 175.263 175.900 0.020 0.000 1.171 342 Y CA -0.830 57.289 58.100 0.033 0.000 1.163 342 Y CB 1.193 39.678 38.460 0.041 0.000 1.183 342 Y HN 0.956 nan 8.280 nan 0.000 0.424 343 N N 3.357 121.722 118.700 -0.558 0.000 2.408 343 N HA 0.150 4.889 4.740 -0.002 0.000 0.257 343 N C 1.023 176.048 175.510 -0.809 0.000 1.064 343 N CA 0.614 53.367 53.050 -0.495 0.000 0.952 343 N CB 1.122 39.447 38.487 -0.270 0.000 1.093 343 N HN 0.773 nan 8.380 nan 0.000 0.490 344 T N 0.086 114.307 114.554 -0.555 0.000 2.812 344 T HA -0.144 4.204 4.350 -0.002 0.000 0.264 344 T C 1.724 176.311 174.700 -0.187 0.000 1.042 344 T CA 1.412 63.293 62.100 -0.364 0.000 1.140 344 T CB -0.540 68.273 68.868 -0.091 0.000 0.870 344 T HN 0.452 nan 8.240 nan 0.000 0.445 345 T N 2.217 116.683 114.554 -0.147 0.000 2.620 345 T HA -0.128 4.221 4.350 -0.002 0.000 0.267 345 T C 1.403 176.064 174.700 -0.066 0.000 1.044 345 T CA 1.619 63.673 62.100 -0.078 0.000 1.161 345 T CB -0.308 68.522 68.868 -0.063 0.000 0.862 345 T HN 0.485 nan 8.240 nan 0.000 0.438 346 K N 0.621 120.963 120.400 -0.096 0.000 2.726 346 K HA 0.378 4.697 4.320 -0.002 0.000 0.209 346 K C 0.594 177.165 176.600 -0.048 0.000 1.082 346 K CA -0.257 55.997 56.287 -0.056 0.000 1.081 346 K CB 0.706 33.177 32.500 -0.048 0.000 0.830 346 K HN 0.330 nan 8.250 nan 0.000 0.470 347 G N 2.672 111.439 108.800 -0.055 0.000 2.089 347 G HA2 -0.293 3.665 3.960 -0.002 0.000 0.250 347 G HA3 -0.293 3.665 3.960 -0.002 0.000 0.250 347 G C -0.259 174.723 174.900 0.136 0.000 0.772 347 G CA 0.627 45.779 45.100 0.086 0.000 1.141 347 G HN 0.276 nan 8.290 nan 0.000 0.356 348 R N -0.046 120.433 120.500 -0.035 0.000 2.651 348 R HA 0.503 4.842 4.340 -0.002 0.000 0.278 348 R C -0.505 175.913 176.300 0.197 0.000 1.010 348 R CA -0.979 55.189 56.100 0.114 0.000 0.896 348 R CB 1.080 31.388 30.300 0.014 0.000 1.211 348 R HN 0.097 nan 8.270 nan 0.000 0.456 349 K N 3.337 123.898 120.400 0.268 0.000 2.257 349 K HA 0.208 4.526 4.320 -0.002 0.000 0.270 349 K C -0.668 176.028 176.600 0.160 0.000 1.098 349 K CA -0.497 55.966 56.287 0.294 0.000 0.943 349 K CB 0.889 33.550 32.500 0.268 0.000 1.316 349 K HN 0.505 nan 8.250 nan 0.000 0.447 350 E N 1.802 122.051 120.200 0.081 0.000 2.319 350 E HA 0.134 4.482 4.350 -0.002 0.000 0.268 350 E C -0.001 176.505 176.600 -0.156 0.000 1.050 350 E CA -0.623 55.760 56.400 -0.029 0.000 0.878 350 E CB 1.302 30.966 29.700 -0.059 0.000 1.066 350 E HN 0.223 nan 8.360 nan 0.000 0.406 351 R N 1.614 121.942 120.500 -0.286 0.000 2.272 351 R HA 0.208 4.546 4.340 -0.002 0.000 0.323 351 R C -1.285 174.793 176.300 -0.370 0.000 1.002 351 R CA -0.670 55.058 56.100 -0.621 0.000 0.900 351 R CB 0.154 29.988 30.300 -0.776 0.000 1.151 351 R HN 0.283 nan 8.270 nan 0.000 0.507 352 V N 5.008 124.736 119.914 -0.310 0.000 2.479 352 V HA 0.434 4.553 4.120 -0.002 0.000 0.281 352 V C 0.549 176.534 176.094 -0.182 0.000 1.031 352 V CA 0.983 63.165 62.300 -0.197 0.000 1.038 352 V CB 0.453 32.190 31.823 -0.144 0.000 0.981 352 V HN 0.937 nan 8.190 nan 0.000 0.478 353 A N 7.180 129.912 122.820 -0.147 0.000 1.909 353 A HA 0.439 4.757 4.320 -0.002 0.000 0.209 353 A C 1.315 178.847 177.584 -0.088 0.000 1.247 353 A CA 0.158 52.128 52.037 -0.112 0.000 0.660 353 A CB 0.166 19.107 19.000 -0.099 0.000 0.910 353 A HN 0.736 nan 8.150 nan 0.000 0.465 354 R N -0.410 120.033 120.500 -0.095 0.000 2.621 354 R HA 0.548 4.887 4.340 -0.002 0.000 0.284 354 R C -1.648 174.587 176.300 -0.107 0.000 0.998 354 R CA -0.557 55.492 56.100 -0.086 0.000 0.895 354 R CB 1.539 31.796 30.300 -0.072 0.000 1.195 354 R HN 0.219 nan 8.270 nan 0.000 0.450 355 L N 4.336 125.499 121.223 -0.100 0.000 2.334 355 L HA 0.617 4.955 4.340 -0.002 0.000 0.275 355 L C -0.642 176.152 176.870 -0.125 0.000 1.036 355 L CA -0.728 54.040 54.840 -0.119 0.000 0.807 355 L CB 1.541 43.539 42.059 -0.101 0.000 1.231 355 L HN 0.627 nan 8.230 nan 0.000 0.438 356 L N 2.949 124.077 121.223 -0.158 0.000 2.493 356 L HA 0.493 4.832 4.340 -0.002 0.000 0.265 356 L C -0.975 175.796 176.870 -0.164 0.000 0.954 356 L CA -0.468 54.277 54.840 -0.158 0.000 0.844 356 L CB 2.006 43.963 42.059 -0.170 0.000 1.302 356 L HN 0.560 nan 8.230 nan 0.000 0.405 357 R N 5.251 125.647 120.500 -0.173 0.000 2.437 357 R HA 0.494 4.833 4.340 -0.002 0.000 0.310 357 R C -1.060 175.079 176.300 -0.269 0.000 0.955 357 R CA -0.994 54.987 56.100 -0.197 0.000 0.851 357 R CB 1.992 32.132 30.300 -0.267 0.000 1.161 357 R HN 0.574 nan 8.270 nan 0.000 0.446 358 M N 3.949 123.474 119.600 -0.125 0.000 2.220 358 M HA 0.144 4.623 4.480 -0.002 0.000 0.343 358 M C -0.088 176.125 176.300 -0.146 0.000 1.470 358 M CA -0.166 55.076 55.300 -0.096 0.000 1.161 358 M CB -0.113 32.529 32.600 0.070 0.000 1.737 358 M HN 0.263 nan 8.290 nan 0.000 0.464 359 H N 1.725 120.658 119.070 -0.229 0.000 2.481 359 H HA 0.351 4.905 4.556 -0.002 0.000 0.339 359 H C 0.701 175.941 175.328 -0.147 0.000 1.131 359 H CA -0.421 55.469 56.048 -0.263 0.000 1.301 359 H CB 1.140 30.548 29.762 -0.590 0.000 1.476 359 H HN 0.732 nan 8.280 nan 0.000 0.529 360 A N 2.403 125.272 122.820 0.082 0.000 2.330 360 A HA -0.195 4.124 4.320 -0.002 0.000 0.207 360 A C 1.073 178.705 177.584 0.080 0.000 1.261 360 A CA 1.752 53.820 52.037 0.053 0.000 0.753 360 A CB -0.583 18.437 19.000 0.033 0.000 0.754 360 A HN 0.750 nan 8.150 nan 0.000 0.512 361 N N -2.423 116.352 118.700 0.125 0.000 1.855 361 N HA 0.024 4.763 4.740 -0.002 0.000 0.227 361 N C -0.350 175.326 175.510 0.276 0.000 1.470 361 N CA 0.453 53.605 53.050 0.170 0.000 0.703 361 N CB 0.499 39.075 38.487 0.149 0.000 1.030 361 N HN 0.761 nan 8.380 nan 0.000 0.600 362 H N -1.891 117.246 119.070 0.112 0.000 2.883 362 H HA 0.469 5.024 4.556 -0.002 0.000 0.277 362 H C -1.177 174.212 175.328 0.102 0.000 1.451 362 H CA -0.746 55.361 56.048 0.099 0.000 1.157 362 H CB 0.449 30.267 29.762 0.093 0.000 1.851 362 H HN -0.164 nan 8.280 nan 0.000 0.566 363 R N 1.050 121.614 120.500 0.107 0.000 2.278 363 R HA 0.144 4.483 4.340 -0.002 0.000 0.322 363 R C -0.311 175.998 176.300 0.016 0.000 1.058 363 R CA -0.365 55.728 56.100 -0.012 0.000 0.991 363 R CB 0.923 31.249 30.300 0.042 0.000 1.140 363 R HN 0.575 nan 8.270 nan 0.000 0.518 364 E N 3.007 123.112 120.200 -0.159 0.000 2.217 364 E HA -0.058 4.290 4.350 -0.002 0.000 0.279 364 E C -0.704 175.854 176.600 -0.069 0.000 1.068 364 E CA -0.052 56.316 56.400 -0.054 0.000 0.882 364 E CB 0.741 30.275 29.700 -0.277 0.000 1.039 364 E HN 0.414 nan 8.360 nan 0.000 0.418 365 E N 5.611 125.812 120.200 0.002 0.000 1.986 365 E HA 0.145 4.494 4.350 -0.002 0.000 0.264 365 E C -0.269 176.319 176.600 -0.021 0.000 1.023 365 E CA -0.633 55.753 56.400 -0.024 0.000 0.834 365 E CB 0.695 30.389 29.700 -0.011 0.000 1.111 365 E HN 0.450 nan 8.360 nan 0.000 0.417 366 V N 1.351 121.239 119.914 -0.044 0.000 3.262 366 V HA 0.338 4.456 4.120 -0.002 0.000 0.313 366 V C 0.735 176.805 176.094 -0.040 0.000 1.070 366 V CA -0.292 61.988 62.300 -0.033 0.000 1.049 366 V CB 1.730 33.527 31.823 -0.043 0.000 1.157 366 V HN 0.747 nan 8.190 nan 0.000 0.454 367 E N -0.074 120.106 120.200 -0.033 0.000 2.498 367 E HA 0.236 4.585 4.350 -0.002 0.000 0.203 367 E C -0.112 176.461 176.600 -0.046 0.000 1.013 367 E CA 0.322 56.701 56.400 -0.035 0.000 0.927 367 E CB 0.426 30.114 29.700 -0.020 0.000 1.012 367 E HN 0.962 nan 8.360 nan 0.000 0.482 368 E N -0.721 119.442 120.200 -0.061 0.000 2.405 368 E HA 0.248 4.597 4.350 -0.002 0.000 0.283 368 E C -1.570 174.965 176.600 -0.107 0.000 1.140 368 E CA -0.717 55.638 56.400 -0.075 0.000 0.904 368 E CB 0.422 30.085 29.700 -0.062 0.000 1.209 368 E HN -0.111 nan 8.360 nan 0.000 0.428 369 L N 1.714 122.871 121.223 -0.110 0.000 2.343 369 L HA 0.438 4.776 4.340 -0.002 0.000 0.278 369 L C -0.464 176.322 176.870 -0.139 0.000 0.996 369 L CA -0.365 54.393 54.840 -0.136 0.000 0.831 369 L CB 1.586 43.580 42.059 -0.109 0.000 1.232 369 L HN 0.409 nan 8.230 nan 0.000 0.413 370 K N 2.337 122.600 120.400 -0.228 0.000 2.174 370 K HA 0.681 4.999 4.320 -0.002 0.000 0.275 370 K C 0.187 176.745 176.600 -0.069 0.000 1.015 370 K CA -0.710 55.469 56.287 -0.179 0.000 0.933 370 K CB 1.292 33.577 32.500 -0.359 0.000 1.025 370 K HN 0.697 nan 8.250 nan 0.000 0.463 371 A N 1.616 124.453 122.820 0.027 0.000 2.616 371 A HA 0.091 4.410 4.320 -0.002 0.000 0.242 371 A C 1.321 178.977 177.584 0.120 0.000 0.987 371 A CA 1.410 53.492 52.037 0.075 0.000 0.800 371 A CB -0.889 18.191 19.000 0.134 0.000 0.883 371 A HN 1.044 nan 8.150 nan 0.000 0.496 372 G N 1.174 110.013 108.800 0.065 0.000 2.199 372 G HA2 -0.224 3.734 3.960 -0.002 0.000 0.254 372 G HA3 -0.224 3.734 3.960 -0.002 0.000 0.254 372 G C 0.114 175.056 174.900 0.070 0.000 0.982 372 G CA 0.565 45.721 45.100 0.093 0.000 0.632 372 G HN 1.149 nan 8.290 nan 0.000 0.529 373 D N 0.079 120.495 120.400 0.027 0.000 2.229 373 D HA 0.632 5.270 4.640 -0.002 0.000 0.249 373 D C -0.335 175.954 176.300 -0.018 0.000 1.027 373 D CA -0.272 53.734 54.000 0.011 0.000 0.923 373 D CB 1.339 42.111 40.800 -0.046 0.000 1.174 373 D HN 0.054 nan 8.370 nan 0.000 0.443 374 L N 1.544 122.773 121.223 0.010 0.000 2.362 374 L HA 0.735 5.074 4.340 -0.002 0.000 0.271 374 L C 0.796 177.697 176.870 0.053 0.000 1.002 374 L CA -0.177 54.691 54.840 0.047 0.000 0.818 374 L CB 2.060 44.183 42.059 0.107 0.000 1.298 374 L HN 0.635 nan 8.230 nan 0.000 0.420 375 G N 0.694 109.535 108.800 0.068 0.000 2.510 375 G HA2 0.758 4.717 3.960 -0.002 0.000 0.277 375 G HA3 0.758 4.717 3.960 -0.002 0.000 0.277 375 G C -2.134 172.720 174.900 -0.077 0.000 1.223 375 G CA 0.105 45.226 45.100 0.036 0.000 0.887 375 G HN 0.768 nan 8.290 nan 0.000 0.485 376 A N -0.990 121.641 122.820 -0.314 0.000 2.414 376 A HA 0.873 5.192 4.320 -0.002 0.000 0.306 376 A C -0.530 176.808 177.584 -0.409 0.000 1.054 376 A CA -0.082 51.577 52.037 -0.631 0.000 0.724 376 A CB 1.709 19.954 19.000 -1.259 0.000 1.267 376 A HN 2.172 nan 8.150 nan 0.000 0.418 377 V N 1.238 120.925 119.914 -0.379 0.000 2.732 377 V HA 0.887 5.005 4.120 -0.002 0.000 0.310 377 V C -0.794 175.150 176.094 -0.250 0.000 1.053 377 V CA -0.506 61.638 62.300 -0.259 0.000 0.957 377 V CB 1.725 33.423 31.823 -0.209 0.000 1.018 377 V HN 0.995 nan 8.190 nan 0.000 0.452 378 V N 4.299 124.100 119.914 -0.188 0.000 2.487 378 V HA 1.048 5.166 4.120 -0.002 0.000 0.298 378 V C 0.640 176.656 176.094 -0.131 0.000 1.028 378 V CA 0.397 62.604 62.300 -0.155 0.000 0.860 378 V CB 0.174 31.922 31.823 -0.125 0.000 0.991 378 V HN 1.873 nan 8.190 nan 0.000 0.427 379 G N 2.713 111.442 108.800 -0.118 0.000 2.298 379 G HA2 0.443 4.402 3.960 -0.002 0.000 0.309 379 G HA3 0.443 4.402 3.960 -0.002 0.000 0.309 379 G C -1.294 173.544 174.900 -0.104 0.000 1.279 379 G CA -0.503 44.533 45.100 -0.106 0.000 1.042 379 G HN 1.484 nan 8.290 nan 0.000 0.480 380 L N -1.800 119.365 121.223 -0.096 0.000 0.616 380 L HA -0.035 4.304 4.340 -0.002 0.000 0.357 380 L C 0.804 177.634 176.870 -0.065 0.000 1.004 380 L CA 1.485 56.275 54.840 -0.083 0.000 1.223 380 L CB -0.740 41.261 42.059 -0.098 0.000 0.132 380 L HN 1.137 nan 8.230 nan 0.000 0.117 381 K N 0.578 120.949 120.400 -0.049 0.000 2.665 381 K HA 0.260 4.578 4.320 -0.002 0.000 0.197 381 K C 0.998 177.580 176.600 -0.030 0.000 1.463 381 K CA 0.483 56.748 56.287 -0.036 0.000 1.107 381 K CB 0.241 32.726 32.500 -0.025 0.000 1.584 381 K HN 0.573 nan 8.250 nan 0.000 0.558 382 E N 0.739 120.922 120.200 -0.029 0.000 2.502 382 E HA 0.063 4.412 4.350 -0.002 0.000 0.194 382 E C -0.366 176.210 176.600 -0.040 0.000 1.062 382 E CA 0.396 56.780 56.400 -0.026 0.000 0.867 382 E CB 0.088 29.776 29.700 -0.020 0.000 0.888 382 E HN 0.018 nan 8.360 nan 0.000 0.510 383 T N 3.571 118.094 114.554 -0.052 0.000 2.997 383 T HA 0.304 4.652 4.350 -0.002 0.000 0.311 383 T C 0.856 175.525 174.700 -0.052 0.000 1.079 383 T CA -0.278 61.785 62.100 -0.061 0.000 0.982 383 T CB -0.347 68.474 68.868 -0.079 0.000 1.032 383 T HN 0.182 nan 8.240 nan 0.000 0.581 384 I N -0.117 120.431 120.570 -0.037 0.000 3.502 384 I HA 0.545 4.714 4.170 -0.002 0.000 0.302 384 I C 1.107 177.212 176.117 -0.020 0.000 1.170 384 I CA -1.002 60.284 61.300 -0.024 0.000 0.953 384 I CB 0.283 38.278 38.000 -0.008 0.000 1.475 384 I HN 0.252 nan 8.210 nan 0.000 0.657 385 T N 0.970 115.521 114.554 -0.004 0.000 2.689 385 T HA 0.055 4.404 4.350 -0.002 0.000 0.362 385 T C 1.181 175.893 174.700 0.020 0.000 1.078 385 T CA 1.341 63.450 62.100 0.015 0.000 1.103 385 T CB -0.446 68.439 68.868 0.029 0.000 1.022 385 T HN 1.549 nan 8.240 nan 0.000 0.545 386 G N 2.653 111.481 108.800 0.046 0.000 2.420 386 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.305 386 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.305 386 G C -0.027 174.890 174.900 0.028 0.000 0.971 386 G CA 0.693 45.821 45.100 0.047 0.000 0.843 386 G HN 0.870 nan 8.290 nan 0.000 0.512 387 D N 0.084 120.489 120.400 0.009 0.000 2.210 387 D HA 0.457 5.095 4.640 -0.002 0.000 0.249 387 D C 0.402 176.697 176.300 -0.007 0.000 1.062 387 D CA 0.194 54.185 54.000 -0.015 0.000 0.891 387 D CB 1.200 41.973 40.800 -0.045 0.000 1.186 387 D HN 0.074 nan 8.370 nan 0.000 0.432 388 T N 2.405 116.948 114.554 -0.018 0.000 2.753 388 T HA 0.437 4.786 4.350 -0.002 0.000 0.297 388 T C -0.024 174.652 174.700 -0.041 0.000 0.981 388 T CA -0.677 61.423 62.100 0.001 0.000 0.956 388 T CB 0.403 69.274 68.868 0.005 0.000 0.936 388 T HN 0.025 nan 8.240 nan 0.000 0.463 389 L N 4.507 125.717 121.223 -0.020 0.000 2.305 389 L HA 0.665 5.004 4.340 -0.002 0.000 0.284 389 L C 0.424 177.306 176.870 0.021 0.000 1.013 389 L CA -0.784 54.036 54.840 -0.033 0.000 0.819 389 L CB 1.353 43.385 42.059 -0.045 0.000 1.227 389 L HN 0.583 nan 8.230 nan 0.000 0.417 390 V N -0.196 119.747 119.914 0.048 0.000 3.302 390 V HA 0.983 5.101 4.120 -0.002 0.000 0.304 390 V C 0.653 176.819 176.094 0.121 0.000 1.209 390 V CA -0.472 61.883 62.300 0.092 0.000 1.032 390 V CB 1.022 32.913 31.823 0.114 0.000 1.219 390 V HN 0.702 nan 8.190 nan 0.000 0.469 391 G N 0.079 108.946 108.800 0.113 0.000 2.684 391 G HA2 0.331 4.289 3.960 -0.002 0.000 0.255 391 G HA3 0.331 4.289 3.960 -0.002 0.000 0.255 391 G C 0.331 175.319 174.900 0.146 0.000 1.219 391 G CA 0.131 45.295 45.100 0.107 0.000 0.901 391 G HN 1.150 nan 8.290 nan 0.000 0.548 392 E N -1.158 119.112 120.200 0.117 0.000 2.365 392 E HA 0.140 4.488 4.350 -0.002 0.000 0.188 392 E C -0.306 176.272 176.600 -0.037 0.000 1.102 392 E CA 0.294 56.739 56.400 0.075 0.000 0.927 392 E CB 0.206 29.960 29.700 0.091 0.000 1.073 392 E HN 0.456 nan 8.360 nan 0.000 0.467 393 D N -0.323 120.074 120.400 -0.006 0.000 2.107 393 D HA 0.067 4.705 4.640 -0.002 0.000 0.458 393 D C 0.593 176.896 176.300 0.005 0.000 0.958 393 D CA 0.146 54.125 54.000 -0.035 0.000 0.966 393 D CB 0.035 40.818 40.800 -0.029 0.000 1.526 393 D HN 0.249 nan 8.370 nan 0.000 0.505 394 A N 2.303 125.148 122.820 0.042 0.000 2.552 394 A HA 0.224 4.543 4.320 -0.002 0.000 0.241 394 A C -2.224 175.396 177.584 0.060 0.000 1.103 394 A CA -0.105 51.964 52.037 0.053 0.000 0.789 394 A CB -0.664 18.377 19.000 0.068 0.000 1.050 394 A HN -0.138 nan 8.150 nan 0.000 0.515 395 P HA 0.079 nan 4.420 nan 0.000 0.258 395 P C -0.513 176.831 177.300 0.075 0.000 1.214 395 P CA 0.183 63.312 63.100 0.048 0.000 0.872 395 P CB 0.029 31.748 31.700 0.032 0.000 0.890 396 R N 2.583 123.144 120.500 0.102 0.000 3.853 396 R HA 0.051 4.390 4.340 -0.002 0.000 0.169 396 R C 0.640 176.998 176.300 0.098 0.000 1.823 396 R CA -0.002 56.193 56.100 0.158 0.000 1.283 396 R CB -1.100 29.331 30.300 0.217 0.000 1.323 396 R HN 0.344 nan 8.270 nan 0.000 0.741 397 V N -1.060 118.896 119.914 0.070 0.000 2.997 397 V HA 0.568 4.687 4.120 -0.002 0.000 0.311 397 V C 0.395 176.505 176.094 0.026 0.000 1.066 397 V CA -0.908 61.416 62.300 0.039 0.000 1.039 397 V CB 1.550 33.389 31.823 0.027 0.000 1.081 397 V HN 0.267 nan 8.190 nan 0.000 0.467 398 I N 2.486 123.064 120.570 0.014 0.000 2.447 398 I HA 0.367 4.536 4.170 -0.002 0.000 0.287 398 I C -0.319 175.799 176.117 0.001 0.000 1.023 398 I CA -0.642 60.662 61.300 0.006 0.000 1.083 398 I CB 1.599 39.600 38.000 0.002 0.000 1.245 398 I HN 0.517 nan 8.210 nan 0.000 0.434 399 L N 4.792 126.017 121.223 0.004 0.000 2.367 399 L HA 0.054 4.393 4.340 -0.002 0.000 0.215 399 L C 1.674 178.536 176.870 -0.013 0.000 1.197 399 L CA 0.901 55.734 54.840 -0.012 0.000 0.836 399 L CB -0.133 41.924 42.059 -0.003 0.000 1.242 399 L HN 0.731 nan 8.230 nan 0.000 0.553 400 E N -0.852 119.333 120.200 -0.024 0.000 2.033 400 E HA -0.068 4.281 4.350 -0.002 0.000 0.197 400 E C 0.871 177.467 176.600 -0.006 0.000 0.955 400 E CA 1.093 57.484 56.400 -0.015 0.000 0.855 400 E CB 0.429 30.117 29.700 -0.020 0.000 0.841 400 E HN 0.611 nan 8.360 nan 0.000 0.476 401 S N -0.889 114.805 115.700 -0.010 0.000 2.025 401 S HA -0.232 4.236 4.470 -0.002 0.000 0.231 401 S C 0.389 174.982 174.600 -0.013 0.000 1.075 401 S CA 1.011 59.208 58.200 -0.006 0.000 1.586 401 S CB -1.358 61.852 63.200 0.016 0.000 2.055 401 S HN 0.439 nan 8.310 nan 0.000 0.569 402 I N 3.621 124.188 120.570 -0.005 0.000 3.136 402 I HA -0.051 4.118 4.170 -0.002 0.000 0.298 402 I C 0.693 176.804 176.117 -0.010 0.000 1.232 402 I CA 1.328 62.627 61.300 -0.003 0.000 1.379 402 I CB -0.541 37.461 38.000 0.003 0.000 1.411 402 I HN 0.278 nan 8.210 nan 0.000 0.532 403 E N 4.685 124.877 120.200 -0.014 0.000 2.235 403 E HA 0.635 4.984 4.350 -0.002 0.000 0.265 403 E C -0.658 175.939 176.600 -0.005 0.000 0.940 403 E CA -0.879 55.510 56.400 -0.020 0.000 0.819 403 E CB 2.228 31.906 29.700 -0.037 0.000 1.206 403 E HN 0.214 nan 8.360 nan 0.000 0.409 404 V N 1.972 121.884 119.914 -0.003 0.000 2.575 404 V HA 0.210 4.328 4.120 -0.002 0.000 0.281 404 V C -2.443 173.654 176.094 0.005 0.000 1.087 404 V CA -1.093 61.210 62.300 0.005 0.000 1.193 404 V CB 0.188 32.016 31.823 0.009 0.000 1.426 404 V HN 0.548 nan 8.190 nan 0.000 0.623 405 P HA 0.442 nan 4.420 nan 0.000 0.274 405 P C 0.153 177.463 177.300 0.017 0.000 1.504 405 P CA -0.166 62.938 63.100 0.007 0.000 1.011 405 P CB 0.799 32.502 31.700 0.005 0.000 1.366 406 E N 4.650 124.854 120.200 0.006 0.000 3.570 406 E HA 0.243 4.592 4.350 -0.002 0.000 0.298 406 E C -1.742 174.868 176.600 0.017 0.000 1.489 406 E CA -1.081 55.324 56.400 0.009 0.000 1.457 406 E CB -0.982 28.707 29.700 -0.017 0.000 1.247 406 E HN 0.329 nan 8.360 nan 0.000 0.778 407 P HA 0.126 nan 4.420 nan 0.000 0.306 407 P C -0.032 177.263 177.300 -0.008 0.000 1.309 407 P CA -0.282 62.836 63.100 0.030 0.000 0.759 407 P CB 0.982 32.707 31.700 0.040 0.000 1.314 408 V N -5.048 114.880 119.914 0.023 0.000 3.041 408 V HA 0.371 4.490 4.120 -0.002 0.000 0.243 408 V C 0.351 176.485 176.094 0.067 0.000 1.684 408 V CA 0.002 62.324 62.300 0.038 0.000 1.063 408 V CB 0.254 32.126 31.823 0.082 0.000 0.978 408 V HN 0.219 nan 8.190 nan 0.000 0.413 409 I N 2.473 123.073 120.570 0.050 0.000 2.582 409 I HA 0.738 4.907 4.170 -0.002 0.000 0.292 409 I C -1.557 174.588 176.117 0.046 0.000 1.066 409 I CA 0.019 61.329 61.300 0.018 0.000 1.053 409 I CB 2.092 40.078 38.000 -0.024 0.000 1.241 409 I HN 0.460 nan 8.210 nan 0.000 0.421 410 D N 5.107 125.555 120.400 0.079 0.000 2.610 410 D HA 0.732 5.371 4.640 -0.002 0.000 0.271 410 D C -1.111 175.304 176.300 0.192 0.000 1.174 410 D CA -0.377 53.681 54.000 0.097 0.000 0.949 410 D CB 3.002 43.844 40.800 0.069 0.000 1.430 410 D HN 0.106 nan 8.370 nan 0.000 0.467 411 V N -0.361 119.624 119.914 0.119 0.000 3.114 411 V HA 0.627 4.746 4.120 -0.002 0.000 0.308 411 V C -0.704 175.412 176.094 0.037 0.000 1.168 411 V CA -1.077 61.289 62.300 0.110 0.000 1.015 411 V CB 1.877 33.753 31.823 0.088 0.000 1.050 411 V HN 0.829 nan 8.190 nan 0.000 0.433 412 A N 2.531 125.355 122.820 0.007 0.000 2.320 412 A HA 0.803 5.122 4.320 -0.002 0.000 0.287 412 A C -0.779 176.792 177.584 -0.023 0.000 1.181 412 A CA -0.024 52.006 52.037 -0.012 0.000 0.831 412 A CB 0.223 19.205 19.000 -0.031 0.000 1.102 412 A HN 0.986 nan 8.150 nan 0.000 0.513 413 I N 1.892 122.446 120.570 -0.027 0.000 2.542 413 I HA 0.320 4.489 4.170 -0.002 0.000 0.278 413 I C -0.745 175.350 176.117 -0.036 0.000 1.069 413 I CA -0.242 61.036 61.300 -0.036 0.000 1.100 413 I CB 1.201 39.171 38.000 -0.051 0.000 1.204 413 I HN 0.681 nan 8.210 nan 0.000 0.470 414 E N 9.085 129.266 120.200 -0.031 0.000 2.073 414 E HA 0.367 4.716 4.350 -0.002 0.000 0.269 414 E C -2.181 174.403 176.600 -0.027 0.000 0.917 414 E CA -1.966 54.417 56.400 -0.028 0.000 0.757 414 E CB 1.171 30.855 29.700 -0.025 0.000 1.111 414 E HN 0.390 nan 8.360 nan 0.000 0.410 415 P HA -0.158 nan 4.420 nan 0.000 0.272 415 P C 0.309 177.598 177.300 -0.018 0.000 1.542 415 P CA 0.326 63.410 63.100 -0.026 0.000 0.846 415 P CB -0.052 31.630 31.700 -0.029 0.000 1.782 416 K N 0.415 120.806 120.400 -0.017 0.000 2.262 416 K HA -0.202 4.117 4.320 -0.002 0.000 0.128 416 K C 0.350 176.943 176.600 -0.012 0.000 1.418 416 K CA 2.099 58.378 56.287 -0.013 0.000 0.647 416 K CB -2.044 30.450 32.500 -0.009 0.000 0.516 416 K HN 0.409 nan 8.250 nan 0.000 0.989 417 T N 1.336 115.885 114.554 -0.009 0.000 2.906 417 T HA 0.087 4.435 4.350 -0.002 0.000 0.320 417 T C 1.333 176.028 174.700 -0.009 0.000 1.088 417 T CA 0.322 62.417 62.100 -0.008 0.000 1.120 417 T CB 0.528 69.393 68.868 -0.006 0.000 1.000 417 T HN 0.406 nan 8.240 nan 0.000 0.550 418 K N 1.490 121.884 120.400 -0.009 0.000 2.374 418 K HA -0.212 4.107 4.320 -0.002 0.000 0.202 418 K C 2.258 178.853 176.600 -0.008 0.000 1.044 418 K CA 1.472 57.753 56.287 -0.010 0.000 0.933 418 K CB -1.672 30.822 32.500 -0.010 0.000 0.745 418 K HN 0.777 nan 8.250 nan 0.000 0.474 419 A N 2.631 125.448 122.820 -0.005 0.000 1.859 419 A HA -0.229 4.090 4.320 -0.002 0.000 0.217 419 A C 1.643 179.226 177.584 -0.001 0.000 1.198 419 A CA 2.184 54.219 52.037 -0.002 0.000 0.629 419 A CB -0.706 18.294 19.000 0.000 0.000 0.830 419 A HN 0.344 nan 8.150 nan 0.000 0.446 420 D N -0.806 119.593 120.400 -0.002 0.000 2.264 420 D HA -0.116 4.523 4.640 -0.002 0.000 0.208 420 D C 1.855 178.150 176.300 -0.010 0.000 0.966 420 D CA 0.843 54.842 54.000 -0.002 0.000 0.864 420 D CB -0.356 40.442 40.800 -0.003 0.000 0.933 420 D HN 0.490 nan 8.370 nan 0.000 0.499 421 Q N 0.437 120.229 119.800 -0.014 0.000 2.325 421 Q HA -0.259 4.080 4.340 -0.002 0.000 0.211 421 Q C 1.167 177.156 176.000 -0.019 0.000 0.988 421 Q CA 1.329 57.120 55.803 -0.020 0.000 0.887 421 Q CB 0.139 28.866 28.738 -0.018 0.000 0.915 421 Q HN 0.481 nan 8.270 nan 0.000 0.440 422 E N -0.520 119.673 120.200 -0.011 0.000 2.065 422 E HA -0.026 4.322 4.350 -0.002 0.000 0.191 422 E C 1.941 178.540 176.600 -0.001 0.000 0.960 422 E CA 0.180 56.577 56.400 -0.005 0.000 0.824 422 E CB 0.098 29.799 29.700 0.002 0.000 0.793 422 E HN 0.126 nan 8.360 nan 0.000 0.459 423 K N 0.663 121.068 120.400 0.009 0.000 2.127 423 K HA -0.225 4.093 4.320 -0.002 0.000 0.208 423 K C 2.129 178.725 176.600 -0.007 0.000 1.047 423 K CA 0.959 57.262 56.287 0.026 0.000 0.927 423 K CB -0.174 32.351 32.500 0.042 0.000 0.716 423 K HN 0.023 nan 8.250 nan 0.000 0.450 424 L N 0.815 122.013 121.223 -0.042 0.000 2.046 424 L HA -0.165 4.174 4.340 -0.002 0.000 0.208 424 L C 2.060 178.878 176.870 -0.088 0.000 1.077 424 L CA 1.684 56.470 54.840 -0.090 0.000 0.747 424 L CB -0.576 41.438 42.059 -0.075 0.000 0.896 424 L HN 0.011 nan 8.230 nan 0.000 0.432 425 S N -0.810 114.859 115.700 -0.050 0.000 2.351 425 S HA -0.291 4.178 4.470 -0.002 0.000 0.220 425 S C 1.924 176.505 174.600 -0.031 0.000 1.035 425 S CA 1.657 59.833 58.200 -0.040 0.000 1.031 425 S CB -0.305 62.882 63.200 -0.022 0.000 0.928 425 S HN 0.503 nan 8.310 nan 0.000 0.433 426 Q N 0.714 120.510 119.800 -0.007 0.000 2.170 426 Q HA 0.042 4.381 4.340 -0.002 0.000 0.203 426 Q C 2.168 178.171 176.000 0.005 0.000 0.976 426 Q CA 1.233 57.052 55.803 0.027 0.000 0.858 426 Q CB -0.496 28.283 28.738 0.068 0.000 0.907 426 Q HN 0.546 nan 8.270 nan 0.000 0.433 427 A N 0.387 123.139 122.820 -0.113 0.000 1.873 427 A HA -0.227 4.092 4.320 -0.002 0.000 0.218 427 A C 1.896 179.319 177.584 -0.268 0.000 1.193 427 A CA 1.947 53.729 52.037 -0.426 0.000 0.629 427 A CB -0.970 17.733 19.000 -0.495 0.000 0.826 427 A HN 0.469 nan 8.150 nan 0.000 0.447 428 L N -1.986 119.162 121.223 -0.125 0.000 2.313 428 L HA 0.149 4.488 4.340 -0.002 0.000 0.214 428 L C 2.564 179.477 176.870 0.071 0.000 1.119 428 L CA 0.793 55.641 54.840 0.012 0.000 0.809 428 L CB -0.740 41.290 42.059 -0.049 0.000 0.933 428 L HN 0.286 nan 8.230 nan 0.000 0.449 429 A N 0.676 123.516 122.820 0.033 0.000 2.225 429 A HA -0.137 4.182 4.320 -0.002 0.000 0.215 429 A C 2.442 180.070 177.584 0.073 0.000 1.164 429 A CA 1.643 53.709 52.037 0.048 0.000 0.710 429 A CB -0.456 18.565 19.000 0.034 0.000 0.780 429 A HN 0.551 nan 8.150 nan 0.000 0.473 430 R N -2.580 117.980 120.500 0.099 0.000 2.573 430 R HA 0.246 4.585 4.340 -0.002 0.000 0.224 430 R C 1.380 177.751 176.300 0.118 0.000 0.904 430 R CA 0.099 56.267 56.100 0.113 0.000 0.995 430 R CB -0.148 30.246 30.300 0.157 0.000 1.430 430 R HN 0.264 nan 8.270 nan 0.000 0.631 431 L N 0.848 122.152 121.223 0.134 0.000 2.313 431 L HA 0.312 4.651 4.340 -0.002 0.000 0.214 431 L C 1.700 178.595 176.870 0.042 0.000 1.119 431 L CA 1.659 56.561 54.840 0.103 0.000 0.809 431 L CB 0.117 42.229 42.059 0.088 0.000 0.933 431 L HN 0.286 nan 8.230 nan 0.000 0.449 432 A N -1.598 121.353 122.820 0.219 0.000 2.208 432 A HA 0.013 4.332 4.320 -0.002 0.000 0.209 432 A C 2.004 179.643 177.584 0.092 0.000 1.161 432 A CA 0.708 52.929 52.037 0.307 0.000 0.782 432 A CB -0.265 18.999 19.000 0.440 0.000 0.816 432 A HN 0.539 nan 8.150 nan 0.000 0.477 433 E N -0.817 119.409 120.200 0.044 0.000 2.244 433 E HA -0.038 4.311 4.350 -0.002 0.000 0.196 433 E C 1.465 178.055 176.600 -0.016 0.000 0.939 433 E CA 0.328 56.740 56.400 0.020 0.000 0.884 433 E CB 0.029 29.747 29.700 0.030 0.000 0.850 433 E HN 0.718 nan 8.360 nan 0.000 0.481 434 E N 1.234 121.420 120.200 -0.024 0.000 2.512 434 E HA -0.104 4.245 4.350 -0.002 0.000 0.195 434 E C -0.603 175.940 176.600 -0.096 0.000 1.083 434 E CA 0.285 56.666 56.400 -0.033 0.000 0.873 434 E CB 0.352 30.053 29.700 0.003 0.000 0.897 434 E HN -0.051 nan 8.360 nan 0.000 0.514 435 D N -0.307 119.974 120.400 -0.198 0.000 2.686 435 D HA 0.031 4.670 4.640 -0.002 0.000 0.229 435 D C -2.493 173.571 176.300 -0.394 0.000 1.391 435 D CA -0.985 52.852 54.000 -0.272 0.000 0.948 435 D CB 1.034 41.638 40.800 -0.328 0.000 1.513 435 D HN -0.070 nan 8.370 nan 0.000 0.522 436 P HA 0.055 nan 4.420 nan 0.000 0.269 436 P C 0.682 177.999 177.300 0.029 0.000 1.461 436 P CA 0.175 63.257 63.100 -0.030 0.000 0.809 436 P CB -0.621 31.095 31.700 0.027 0.000 1.503 437 T N -2.325 112.199 114.554 -0.050 0.000 3.287 437 T HA 0.284 4.632 4.350 -0.002 0.000 0.253 437 T C 0.147 174.999 174.700 0.252 0.000 0.975 437 T CA -0.589 61.552 62.100 0.067 0.000 0.912 437 T CB -1.011 67.869 68.868 0.020 0.000 1.071 437 T HN -0.005 nan 8.240 nan 0.000 0.578 438 F N -0.822 119.189 119.950 0.102 0.000 2.923 438 F HA 0.851 5.377 4.527 -0.002 0.000 0.323 438 F C -1.661 174.158 175.800 0.031 0.000 1.189 438 F CA -2.706 55.341 58.000 0.079 0.000 0.930 438 F CB 0.980 40.011 39.000 0.051 0.000 1.414 438 F HN 0.045 nan 8.300 nan 0.000 0.496 439 R N 0.843 121.335 120.500 -0.014 0.000 2.563 439 R HA 0.623 4.962 4.340 -0.002 0.000 0.262 439 R C -2.049 174.033 176.300 -0.363 0.000 1.128 439 R CA -0.919 55.075 56.100 -0.176 0.000 0.969 439 R CB 2.455 32.743 30.300 -0.020 0.000 1.251 439 R HN 0.558 nan 8.270 nan 0.000 0.442 440 V N 0.738 120.414 119.914 -0.397 0.000 2.435 440 V HA 0.747 4.866 4.120 -0.002 0.000 0.290 440 V C -0.087 175.897 176.094 -0.183 0.000 1.030 440 V CA -0.804 61.291 62.300 -0.341 0.000 0.881 440 V CB 1.496 33.095 31.823 -0.373 0.000 0.983 440 V HN 0.905 nan 8.190 nan 0.000 0.445 441 S N 1.685 117.299 115.700 -0.143 0.000 2.619 441 S HA 0.556 5.024 4.470 -0.002 0.000 0.280 441 S C -0.553 174.010 174.600 -0.061 0.000 1.150 441 S CA -0.593 57.551 58.200 -0.092 0.000 0.978 441 S CB 1.728 64.874 63.200 -0.089 0.000 1.041 441 S HN 0.632 nan 8.310 nan 0.000 0.485 442 T N 3.920 118.451 114.554 -0.038 0.000 2.738 442 T HA 0.239 4.588 4.350 -0.002 0.000 0.298 442 T C -0.064 174.661 174.700 0.042 0.000 0.962 442 T CA -0.177 61.922 62.100 -0.000 0.000 0.972 442 T CB -0.077 68.786 68.868 -0.009 0.000 0.928 442 T HN 0.724 nan 8.240 nan 0.000 0.474 443 H N 7.182 126.224 119.070 -0.046 0.000 3.257 443 H HA -0.008 4.547 4.556 -0.002 0.000 0.256 443 H C -1.479 173.821 175.328 -0.047 0.000 0.885 443 H CA -1.591 54.432 56.048 -0.043 0.000 1.406 443 H CB 0.777 30.518 29.762 -0.034 0.000 1.506 443 H HN 0.367 nan 8.280 nan 0.000 0.527 444 P HA -0.052 nan 4.420 nan 0.000 0.251 444 P C 0.561 177.916 177.300 0.093 0.000 1.251 444 P CA 0.580 63.742 63.100 0.104 0.000 0.763 444 P CB 0.607 32.327 31.700 0.033 0.000 1.067 445 E N -1.551 118.738 120.200 0.148 0.000 2.536 445 E HA 0.083 4.432 4.350 -0.002 0.000 0.220 445 E C 0.223 176.698 176.600 -0.208 0.000 0.876 445 E CA 0.611 56.982 56.400 -0.048 0.000 1.190 445 E CB 0.731 30.415 29.700 -0.028 0.000 1.191 445 E HN 0.017 nan 8.360 nan 0.000 0.557 446 T N -0.456 113.915 114.554 -0.304 0.000 3.523 446 T HA 0.384 4.733 4.350 -0.002 0.000 0.265 446 T C 0.862 175.452 174.700 -0.184 0.000 0.986 446 T CA 0.577 62.505 62.100 -0.287 0.000 1.616 446 T CB -0.388 68.249 68.868 -0.386 0.000 0.803 446 T HN 0.213 nan 8.240 nan 0.000 0.603 447 G N 3.599 112.345 108.800 -0.089 0.000 3.517 447 G HA2 -0.440 3.519 3.960 -0.002 0.000 0.372 447 G HA3 -0.440 3.519 3.960 -0.002 0.000 0.372 447 G C 0.437 175.325 174.900 -0.020 0.000 1.874 447 G CA 1.446 46.519 45.100 -0.045 0.000 2.017 447 G HN 1.263 nan 8.290 nan 0.000 0.877 448 Q N 0.464 120.245 119.800 -0.031 0.000 2.804 448 Q HA 0.219 4.558 4.340 -0.002 0.000 0.397 448 Q C -0.636 175.378 176.000 0.024 0.000 1.225 448 Q CA 1.163 56.961 55.803 -0.008 0.000 1.129 448 Q CB -0.271 28.462 28.738 -0.008 0.000 1.182 448 Q HN 0.353 nan 8.270 nan 0.000 0.478 449 T N 3.491 118.046 114.554 0.001 0.000 2.823 449 T HA 0.584 4.933 4.350 -0.002 0.000 0.279 449 T C 0.047 174.734 174.700 -0.023 0.000 0.998 449 T CA -0.710 61.382 62.100 -0.014 0.000 0.994 449 T CB 0.636 69.475 68.868 -0.048 0.000 0.960 449 T HN 0.467 nan 8.240 nan 0.000 0.448 450 I N 2.999 123.551 120.570 -0.030 0.000 2.499 450 I HA 0.494 4.663 4.170 -0.002 0.000 0.296 450 I C -0.064 176.003 176.117 -0.082 0.000 0.992 450 I CA -0.844 60.436 61.300 -0.033 0.000 1.297 450 I CB 1.448 39.430 38.000 -0.030 0.000 1.410 450 I HN 0.511 nan 8.210 nan 0.000 0.507 451 I N 4.399 124.926 120.570 -0.072 0.000 2.437 451 I HA 0.209 4.377 4.170 -0.002 0.000 0.279 451 I C 0.077 176.146 176.117 -0.080 0.000 1.028 451 I CA -0.114 61.109 61.300 -0.128 0.000 1.142 451 I CB 1.079 39.011 38.000 -0.113 0.000 1.266 451 I HN 0.568 nan 8.210 nan 0.000 0.461 452 S N 5.279 120.922 115.700 -0.094 0.000 2.481 452 S HA 0.550 5.019 4.470 -0.002 0.000 0.282 452 S C 0.296 174.943 174.600 0.079 0.000 1.243 452 S CA 0.159 58.356 58.200 -0.004 0.000 1.078 452 S CB 0.091 63.288 63.200 -0.005 0.000 0.916 452 S HN 0.843 nan 8.310 nan 0.000 0.495 453 G N 3.523 112.386 108.800 0.105 0.000 3.075 453 G HA2 0.639 4.598 3.960 -0.002 0.000 0.253 453 G HA3 0.639 4.598 3.960 -0.002 0.000 0.253 453 G C -0.203 174.861 174.900 0.274 0.000 1.353 453 G CA -0.732 44.496 45.100 0.214 0.000 1.051 453 G HN 0.683 nan 8.290 nan 0.000 0.553 454 M N 0.190 120.015 119.600 0.375 0.000 2.848 454 M HA 0.385 4.863 4.480 -0.002 0.000 0.420 454 M C 0.153 176.536 176.300 0.138 0.000 1.304 454 M CA 0.019 55.419 55.300 0.167 0.000 0.844 454 M CB 1.548 34.185 32.600 0.062 0.000 1.451 454 M HN 0.910 nan 8.290 nan 0.000 0.511 455 G N 0.338 109.226 108.800 0.147 0.000 2.352 455 G HA2 -0.000 3.959 3.960 -0.002 0.000 0.303 455 G HA3 -0.000 3.959 3.960 -0.002 0.000 0.303 455 G C -0.265 174.685 174.900 0.084 0.000 1.593 455 G CA -0.605 44.555 45.100 0.101 0.000 0.963 455 G HN 0.254 nan 8.290 nan 0.000 0.685 456 E N 0.246 120.468 120.200 0.037 0.000 2.037 456 E HA -0.220 4.128 4.350 -0.002 0.000 0.214 456 E C 2.480 179.100 176.600 0.033 0.000 1.041 456 E CA 2.041 58.456 56.400 0.024 0.000 0.872 456 E CB -0.250 29.454 29.700 0.007 0.000 0.785 456 E HN 0.539 nan 8.360 nan 0.000 0.476 457 L N 0.259 121.504 121.223 0.035 0.000 2.058 457 L HA -0.340 3.999 4.340 -0.002 0.000 0.226 457 L C 2.803 179.664 176.870 -0.015 0.000 1.089 457 L CA 2.055 56.909 54.840 0.023 0.000 0.799 457 L CB -1.220 40.875 42.059 0.061 0.000 0.900 457 L HN 0.415 nan 8.230 nan 0.000 0.442 458 H N 0.295 119.254 119.070 -0.185 0.000 2.371 458 H HA -0.236 4.319 4.556 -0.002 0.000 0.292 458 H C 2.049 177.282 175.328 -0.159 0.000 1.066 458 H CA 2.528 58.389 56.048 -0.313 0.000 1.153 458 H CB -0.610 28.998 29.762 -0.256 0.000 1.375 458 H HN 0.067 nan 8.280 nan 0.000 0.558 459 L N 0.729 121.839 121.223 -0.189 0.000 2.051 459 L HA -0.216 4.122 4.340 -0.002 0.000 0.214 459 L C 2.716 179.517 176.870 -0.115 0.000 1.076 459 L CA 2.232 56.957 54.840 -0.191 0.000 0.758 459 L CB -0.897 41.121 42.059 -0.068 0.000 0.890 459 L HN 0.496 nan 8.230 nan 0.000 0.433 460 E N 0.536 120.699 120.200 -0.061 0.000 2.021 460 E HA -0.286 4.063 4.350 -0.002 0.000 0.200 460 E C 2.129 178.704 176.600 -0.041 0.000 1.015 460 E CA 2.130 58.510 56.400 -0.033 0.000 0.824 460 E CB -0.205 29.488 29.700 -0.011 0.000 0.762 460 E HN 0.555 nan 8.360 nan 0.000 0.454 461 I N -0.410 120.127 120.570 -0.054 0.000 2.623 461 I HA -0.187 3.981 4.170 -0.002 0.000 0.261 461 I C 2.032 178.123 176.117 -0.042 0.000 1.204 461 I CA 1.327 62.601 61.300 -0.044 0.000 1.444 461 I CB -0.379 37.592 38.000 -0.049 0.000 1.094 461 I HN 0.178 nan 8.210 nan 0.000 0.451 462 I N -0.158 120.364 120.570 -0.079 0.000 2.585 462 I HA -0.081 4.088 4.170 -0.002 0.000 0.254 462 I C 2.206 178.310 176.117 -0.022 0.000 1.129 462 I CA 0.426 61.690 61.300 -0.060 0.000 1.455 462 I CB 0.055 37.986 38.000 -0.115 0.000 1.111 462 I HN 0.045 nan 8.210 nan 0.000 0.433 463 V N 1.010 120.905 119.914 -0.032 0.000 2.982 463 V HA -0.296 3.823 4.120 -0.002 0.000 0.265 463 V C 1.795 177.898 176.094 0.014 0.000 1.122 463 V CA 2.210 64.503 62.300 -0.012 0.000 1.143 463 V CB -0.745 31.070 31.823 -0.014 0.000 0.726 463 V HN 0.519 nan 8.190 nan 0.000 0.507 464 D N -0.621 119.793 120.400 0.023 0.000 2.290 464 D HA -0.051 4.588 4.640 -0.002 0.000 0.224 464 D C 2.417 178.763 176.300 0.077 0.000 0.967 464 D CA 0.451 54.472 54.000 0.037 0.000 0.893 464 D CB 0.081 40.896 40.800 0.025 0.000 1.037 464 D HN 0.127 nan 8.370 nan 0.000 0.477 465 R N -0.111 120.451 120.500 0.102 0.000 2.062 465 R HA -0.036 4.303 4.340 -0.002 0.000 0.231 465 R C 2.247 178.785 176.300 0.397 0.000 1.136 465 R CA 0.657 56.873 56.100 0.193 0.000 0.948 465 R CB -0.652 29.766 30.300 0.197 0.000 0.845 465 R HN 0.262 nan 8.270 nan 0.000 0.430 466 L N 1.765 123.135 121.223 0.245 0.000 2.201 466 L HA -0.143 4.195 4.340 -0.002 0.000 0.212 466 L C 2.299 179.253 176.870 0.140 0.000 1.105 466 L CA 1.703 56.586 54.840 0.070 0.000 0.775 466 L CB -0.284 41.688 42.059 -0.145 0.000 0.913 466 L HN 0.073 nan 8.230 nan 0.000 0.440 467 K N -1.987 118.486 120.400 0.121 0.000 2.211 467 K HA -0.005 4.313 4.320 -0.002 0.000 0.201 467 K C 1.997 178.662 176.600 0.108 0.000 1.052 467 K CA 0.295 56.635 56.287 0.087 0.000 0.973 467 K CB 0.186 32.712 32.500 0.043 0.000 0.766 467 K HN 0.103 nan 8.250 nan 0.000 0.466 468 R N 0.783 121.356 120.500 0.121 0.000 2.038 468 R HA 0.066 4.404 4.340 -0.002 0.000 0.214 468 R C 1.534 177.866 176.300 0.053 0.000 1.249 468 R CA 0.930 57.074 56.100 0.073 0.000 1.025 468 R CB -0.575 29.750 30.300 0.042 0.000 0.911 468 R HN 0.086 nan 8.270 nan 0.000 0.456 469 E N 0.183 120.391 120.200 0.013 0.000 2.533 469 E HA -0.039 4.310 4.350 -0.002 0.000 0.201 469 E C 0.095 176.453 176.600 -0.404 0.000 1.097 469 E CA 0.640 56.916 56.400 -0.206 0.000 0.887 469 E CB -0.110 29.394 29.700 -0.327 0.000 0.855 469 E HN 0.230 nan 8.360 nan 0.000 0.540 470 F N -1.086 118.862 119.950 -0.003 0.000 2.974 470 F HA 0.227 4.753 4.527 -0.002 0.000 0.357 470 F C 0.881 176.680 175.800 -0.002 0.000 1.114 470 F CA -0.490 57.509 58.000 -0.001 0.000 1.099 470 F CB 0.535 39.536 39.000 0.002 0.000 1.205 470 F HN -0.224 nan 8.300 nan 0.000 0.535 471 K N 1.477 121.975 120.400 0.163 0.000 2.905 471 K HA -0.199 4.119 4.320 -0.002 0.000 0.256 471 K C -0.409 176.239 176.600 0.080 0.000 1.008 471 K CA 0.231 56.572 56.287 0.090 0.000 0.752 471 K CB -1.023 31.510 32.500 0.055 0.000 1.216 471 K HN 0.098 nan 8.250 nan 0.000 0.479 472 V N 1.534 121.506 119.914 0.097 0.000 2.715 472 V HA 0.074 4.192 4.120 -0.002 0.000 0.299 472 V C 0.425 176.538 176.094 0.030 0.000 1.054 472 V CA 0.340 62.668 62.300 0.047 0.000 1.077 472 V CB 1.349 33.182 31.823 0.017 0.000 0.972 472 V HN 0.200 nan 8.190 nan 0.000 0.484 473 D N 3.459 123.869 120.400 0.016 0.000 2.346 473 D HA 0.572 5.211 4.640 -0.002 0.000 0.255 473 D C 0.086 176.385 176.300 -0.001 0.000 1.276 473 D CA 0.006 54.012 54.000 0.009 0.000 0.941 473 D CB 1.887 42.694 40.800 0.011 0.000 1.199 473 D HN 0.640 nan 8.370 nan 0.000 0.537 474 A N 2.219 125.034 122.820 -0.008 0.000 3.444 474 A HA 0.591 4.910 4.320 -0.002 0.000 0.189 474 A C 0.110 177.685 177.584 -0.016 0.000 1.542 474 A CA -0.609 51.419 52.037 -0.015 0.000 0.867 474 A CB 0.820 19.806 19.000 -0.023 0.000 1.712 474 A HN 0.317 nan 8.150 nan 0.000 0.556 475 N N -0.202 118.486 118.700 -0.021 0.000 2.417 475 N HA 0.501 5.240 4.740 -0.002 0.000 0.300 475 N C -1.401 174.094 175.510 -0.025 0.000 1.102 475 N CA -0.142 52.895 53.050 -0.022 0.000 0.886 475 N CB 1.942 40.415 38.487 -0.024 0.000 1.203 475 N HN 0.519 nan 8.380 nan 0.000 0.496 476 V N -1.137 118.763 119.914 -0.025 0.000 2.454 476 V HA 0.660 4.779 4.120 -0.002 0.000 0.267 476 V C 0.441 176.511 176.094 -0.041 0.000 0.993 476 V CA -0.782 61.503 62.300 -0.025 0.000 0.836 476 V CB 0.648 32.464 31.823 -0.011 0.000 1.055 476 V HN 0.741 nan 8.190 nan 0.000 0.452 477 G N 3.505 112.266 108.800 -0.066 0.000 3.122 477 G HA2 0.765 4.724 3.960 -0.002 0.000 0.180 477 G HA3 0.765 4.724 3.960 -0.002 0.000 0.180 477 G C -0.705 174.093 174.900 -0.171 0.000 1.279 477 G CA -0.849 44.182 45.100 -0.114 0.000 0.987 477 G HN 0.755 nan 8.290 nan 0.000 0.589 478 K N -0.314 119.943 120.400 -0.238 0.000 2.340 478 K HA 0.624 4.942 4.320 -0.002 0.000 0.244 478 K C -2.987 173.525 176.600 -0.146 0.000 0.973 478 K CA -1.707 54.390 56.287 -0.317 0.000 0.828 478 K CB 2.051 34.101 32.500 -0.751 0.000 1.226 478 K HN 0.096 nan 8.250 nan 0.000 0.437 479 P HA -0.074 nan 4.420 nan 0.000 0.270 479 P C -0.720 176.586 177.300 0.010 0.000 1.216 479 P CA 0.050 63.165 63.100 0.026 0.000 0.788 479 P CB 0.405 32.160 31.700 0.090 0.000 0.883 480 Q N -0.203 119.626 119.800 0.048 0.000 2.286 480 Q HA 0.566 4.904 4.340 -0.002 0.000 0.250 480 Q C -0.801 175.209 176.000 0.016 0.000 1.021 480 Q CA -0.792 55.023 55.803 0.020 0.000 0.930 480 Q CB 0.928 29.686 28.738 0.034 0.000 1.266 480 Q HN 0.245 nan 8.270 nan 0.000 0.491 481 V N -1.898 117.967 119.914 -0.081 0.000 2.448 481 V HA 0.686 4.805 4.120 -0.002 0.000 0.295 481 V C 0.024 176.006 176.094 -0.187 0.000 1.025 481 V CA -1.282 60.886 62.300 -0.221 0.000 0.859 481 V CB 1.046 32.569 31.823 -0.501 0.000 0.988 481 V HN 0.776 nan 8.190 nan 0.000 0.431 482 A N 4.286 127.130 122.820 0.040 0.000 3.051 482 A HA 0.408 4.727 4.320 -0.002 0.000 0.275 482 A C 0.077 177.880 177.584 0.366 0.000 1.900 482 A CA 0.023 52.221 52.037 0.268 0.000 1.496 482 A CB -1.216 17.938 19.000 0.257 0.000 1.013 482 A HN 0.737 nan 8.150 nan 0.000 0.611 483 Y N 1.003 121.532 120.300 0.381 0.000 2.279 483 Y HA 0.407 4.955 4.550 -0.002 0.000 0.350 483 Y C 1.167 177.157 175.900 0.150 0.000 1.288 483 Y CA 0.349 58.554 58.100 0.175 0.000 1.547 483 Y CB 0.453 38.832 38.460 -0.136 0.000 1.381 483 Y HN 0.494 nan 8.280 nan 0.000 0.630 484 R N 0.225 120.811 120.500 0.144 0.000 2.680 484 R HA 0.345 4.684 4.340 -0.002 0.000 0.269 484 R C -1.091 175.199 176.300 -0.017 0.000 1.026 484 R CA -1.009 55.075 56.100 -0.028 0.000 0.889 484 R CB 1.883 31.942 30.300 -0.403 0.000 1.241 484 R HN 0.642 nan 8.270 nan 0.000 0.463 485 E N 0.336 120.532 120.200 -0.007 0.000 2.243 485 E HA 0.667 5.016 4.350 -0.002 0.000 0.260 485 E C -0.275 176.315 176.600 -0.017 0.000 0.985 485 E CA -0.604 55.787 56.400 -0.014 0.000 0.858 485 E CB 2.453 32.156 29.700 0.005 0.000 1.210 485 E HN 0.548 nan 8.360 nan 0.000 0.411 486 T N -0.653 113.895 114.554 -0.009 0.000 2.640 486 T HA 0.314 4.663 4.350 -0.002 0.000 0.279 486 T C -1.904 172.801 174.700 0.008 0.000 1.995 486 T CA -0.662 61.441 62.100 0.005 0.000 0.943 486 T CB 0.457 69.332 68.868 0.010 0.000 2.141 486 T HN 0.442 nan 8.240 nan 0.000 0.444 487 I N 0.057 120.638 120.570 0.018 0.000 3.264 487 I HA 0.730 4.899 4.170 -0.002 0.000 0.315 487 I C 1.024 177.152 176.117 0.020 0.000 1.154 487 I CA -0.090 61.220 61.300 0.016 0.000 0.962 487 I CB 0.788 38.800 38.000 0.019 0.000 1.265 487 I HN 0.969 nan 8.210 nan 0.000 0.463 488 T N 0.575 115.139 114.554 0.016 0.000 3.115 488 T HA 0.200 4.548 4.350 -0.002 0.000 0.235 488 T C 0.755 175.465 174.700 0.018 0.000 0.999 488 T CA 0.368 62.477 62.100 0.016 0.000 1.276 488 T CB -0.440 68.435 68.868 0.011 0.000 0.967 488 T HN 0.825 nan 8.240 nan 0.000 0.420 489 K N 2.817 123.226 120.400 0.015 0.000 2.218 489 K HA 0.506 4.825 4.320 -0.002 0.000 0.276 489 K C -3.096 173.516 176.600 0.020 0.000 1.022 489 K CA -1.915 54.382 56.287 0.016 0.000 0.946 489 K CB 0.579 33.087 32.500 0.013 0.000 1.000 489 K HN 0.105 nan 8.250 nan 0.000 0.468 490 P HA 0.143 nan 4.420 nan 0.000 0.279 490 P C -0.966 176.349 177.300 0.026 0.000 1.239 490 P CA -0.510 62.605 63.100 0.025 0.000 0.789 490 P CB 1.265 32.976 31.700 0.019 0.000 0.933 491 V N 2.229 122.163 119.914 0.034 0.000 3.158 491 V HA 0.551 4.669 4.120 -0.002 0.000 0.311 491 V C -1.036 175.091 176.094 0.056 0.000 1.181 491 V CA -0.565 61.758 62.300 0.038 0.000 1.054 491 V CB 2.561 34.404 31.823 0.034 0.000 1.085 491 V HN 0.433 nan 8.190 nan 0.000 0.446 492 D N 0.330 120.769 120.400 0.066 0.000 2.763 492 D HA 0.564 5.203 4.640 -0.002 0.000 0.235 492 D C -0.798 175.555 176.300 0.088 0.000 1.334 492 D CA -0.211 53.853 54.000 0.106 0.000 0.950 492 D CB 2.179 43.066 40.800 0.146 0.000 1.433 492 D HN 0.624 nan 8.370 nan 0.000 0.580 493 V N -0.999 118.955 119.914 0.067 0.000 3.155 493 V HA 0.641 4.760 4.120 -0.002 0.000 0.313 493 V C -0.194 175.900 176.094 0.000 0.000 1.162 493 V CA -0.950 61.370 62.300 0.035 0.000 1.048 493 V CB 2.098 33.934 31.823 0.021 0.000 1.092 493 V HN 0.445 nan 8.190 nan 0.000 0.447 494 E N 0.180 120.367 120.200 -0.022 0.000 2.277 494 E HA 0.602 4.950 4.350 -0.002 0.000 0.274 494 E C -0.309 176.240 176.600 -0.086 0.000 1.022 494 E CA -0.292 56.059 56.400 -0.082 0.000 0.853 494 E CB 1.641 31.308 29.700 -0.057 0.000 1.086 494 E HN 1.150 nan 8.360 nan 0.000 0.397 495 G N 3.854 112.558 108.800 -0.159 0.000 2.744 495 G HA2 0.277 4.236 3.960 -0.002 0.000 0.309 495 G HA3 0.277 4.236 3.960 -0.002 0.000 0.309 495 G C -0.811 174.013 174.900 -0.126 0.000 1.328 495 G CA -0.366 44.671 45.100 -0.105 0.000 1.034 495 G HN 0.333 nan 8.290 nan 0.000 0.518 496 K N 1.649 122.031 120.400 -0.031 0.000 2.281 496 K HA 0.734 5.052 4.320 -0.002 0.000 0.242 496 K C -0.708 175.957 176.600 0.109 0.000 0.971 496 K CA -0.954 55.350 56.287 0.029 0.000 0.834 496 K CB 1.654 34.171 32.500 0.027 0.000 1.181 496 K HN 0.302 nan 8.250 nan 0.000 0.435 497 F N 2.772 122.611 119.950 -0.186 0.000 2.229 497 F HA 0.233 4.758 4.527 -0.002 0.000 0.319 497 F C -0.355 175.315 175.800 -0.217 0.000 0.865 497 F CA -0.184 57.703 58.000 -0.188 0.000 1.087 497 F CB 0.068 38.946 39.000 -0.203 0.000 1.159 497 F HN 0.575 nan 8.300 nan 0.000 0.669 498 I N 3.017 123.326 120.570 -0.435 0.000 2.760 498 I HA -0.259 3.910 4.170 -0.002 0.000 0.143 498 I C -0.699 175.157 176.117 -0.435 0.000 0.888 498 I CA 0.965 61.973 61.300 -0.486 0.000 2.757 498 I CB -0.042 37.617 38.000 -0.569 0.000 0.578 498 I HN 0.349 nan 8.210 nan 0.000 0.352 499 R N 5.106 125.414 120.500 -0.320 0.000 2.718 499 R HA 0.291 4.629 4.340 -0.002 0.000 0.266 499 R C -1.062 175.151 176.300 -0.145 0.000 1.776 499 R CA -0.618 55.328 56.100 -0.257 0.000 1.567 499 R CB 1.085 31.205 30.300 -0.300 0.000 1.336 499 R HN 0.725 nan 8.270 nan 0.000 0.619 500 Q N 0.790 120.518 119.800 -0.120 0.000 2.344 500 Q HA 0.175 4.514 4.340 -0.002 0.000 0.253 500 Q C 0.456 176.407 176.000 -0.081 0.000 1.050 500 Q CA 0.149 55.894 55.803 -0.097 0.000 0.912 500 Q CB 1.051 29.726 28.738 -0.105 0.000 1.258 500 Q HN 0.349 nan 8.270 nan 0.000 0.443 501 T N -0.984 113.529 114.554 -0.068 0.000 3.058 501 T HA 0.297 4.645 4.350 -0.002 0.000 0.247 501 T C 0.979 175.655 174.700 -0.040 0.000 0.987 501 T CA 0.213 62.281 62.100 -0.052 0.000 1.062 501 T CB 0.600 69.438 68.868 -0.049 0.000 1.048 501 T HN 0.648 nan 8.240 nan 0.000 0.468 502 G N -0.250 108.529 108.800 -0.036 0.000 4.300 502 G HA2 0.492 4.450 3.960 -0.002 0.000 0.230 502 G HA3 0.492 4.450 3.960 -0.002 0.000 0.230 502 G C 0.281 175.174 174.900 -0.012 0.000 3.208 502 G CA 0.011 45.097 45.100 -0.023 0.000 0.792 502 G HN 0.816 nan 8.290 nan 0.000 0.307 503 G N 0.916 109.709 108.800 -0.010 0.000 1.924 503 G HA2 0.042 4.001 3.960 -0.002 0.000 0.077 503 G HA3 0.042 4.001 3.960 -0.002 0.000 0.077 503 G C 0.668 175.578 174.900 0.016 0.000 1.448 503 G CA 0.068 45.172 45.100 0.006 0.000 1.087 503 G HN 0.898 nan 8.290 nan 0.000 0.304 504 R N 2.733 123.243 120.500 0.017 0.000 4.054 504 R HA 0.271 4.609 4.340 -0.002 0.000 0.227 504 R C 1.765 178.080 176.300 0.026 0.000 1.902 504 R CA 0.846 56.965 56.100 0.031 0.000 1.590 504 R CB -0.493 29.826 30.300 0.031 0.000 1.245 504 R HN 0.950 nan 8.270 nan 0.000 0.647 505 G N 1.266 110.072 108.800 0.010 0.000 3.404 505 G HA2 -0.417 3.542 3.960 -0.002 0.000 0.229 505 G HA3 -0.417 3.542 3.960 -0.002 0.000 0.229 505 G C 0.419 175.324 174.900 0.007 0.000 1.063 505 G CA 1.375 46.467 45.100 -0.014 0.000 0.708 505 G HN 0.586 nan 8.290 nan 0.000 0.707 506 Q N -2.733 117.102 119.800 0.058 0.000 2.397 506 Q HA -0.160 4.179 4.340 -0.002 0.000 0.339 506 Q C -1.144 174.928 176.000 0.119 0.000 1.314 506 Q CA 0.750 56.611 55.803 0.097 0.000 0.927 506 Q CB -1.683 27.089 28.738 0.056 0.000 1.037 506 Q HN 0.826 nan 8.270 nan 0.000 0.305 507 Y N 0.628 120.918 120.300 -0.016 0.000 2.307 507 Y HA 0.674 5.223 4.550 -0.002 0.000 0.323 507 Y C -0.068 175.722 175.900 -0.184 0.000 1.100 507 Y CA -0.123 57.943 58.100 -0.058 0.000 1.140 507 Y CB 1.277 39.707 38.460 -0.049 0.000 1.159 507 Y HN 0.491 nan 8.280 nan 0.000 0.436 508 G N 4.916 113.595 108.800 -0.201 0.000 2.731 508 G HA2 0.536 4.495 3.960 -0.002 0.000 0.298 508 G HA3 0.536 4.495 3.960 -0.002 0.000 0.298 508 G C -2.482 172.268 174.900 -0.249 0.000 1.424 508 G CA -0.700 44.006 45.100 -0.657 0.000 1.029 508 G HN 0.893 nan 8.290 nan 0.000 0.518 509 H N 0.379 119.320 119.070 -0.214 0.000 3.156 509 H HA 0.528 5.083 4.556 -0.002 0.000 0.319 509 H C -2.192 173.228 175.328 0.153 0.000 1.067 509 H CA -0.404 55.632 56.048 -0.019 0.000 1.417 509 H CB 1.278 30.985 29.762 -0.091 0.000 2.050 509 H HN 0.606 nan 8.280 nan 0.000 0.473 510 V N 4.132 123.882 119.914 -0.272 0.000 3.188 510 V HA 0.505 4.624 4.120 -0.002 0.000 0.305 510 V C -0.692 175.193 176.094 -0.347 0.000 1.232 510 V CA -1.006 61.190 62.300 -0.174 0.000 1.043 510 V CB 2.538 34.395 31.823 0.056 0.000 1.068 510 V HN 0.675 nan 8.190 nan 0.000 0.439 511 K N 3.328 123.524 120.400 -0.340 0.000 2.378 511 K HA 0.706 5.024 4.320 -0.002 0.000 0.252 511 K C -1.172 175.189 176.600 -0.399 0.000 0.931 511 K CA -0.662 55.408 56.287 -0.361 0.000 0.794 511 K CB 2.601 34.819 32.500 -0.469 0.000 1.181 511 K HN 0.623 nan 8.250 nan 0.000 0.425 512 I N -1.344 119.163 120.570 -0.105 0.000 3.264 512 I HA 0.584 4.753 4.170 -0.002 0.000 0.309 512 I C -1.211 175.083 176.117 0.294 0.000 1.099 512 I CA -1.351 59.994 61.300 0.075 0.000 0.989 512 I CB 1.528 39.563 38.000 0.058 0.000 1.250 512 I HN 0.409 nan 8.210 nan 0.000 0.478 513 K N 1.694 122.249 120.400 0.259 0.000 2.527 513 K HA 0.597 4.916 4.320 -0.002 0.000 0.240 513 K C -1.392 175.273 176.600 0.108 0.000 0.989 513 K CA -0.301 56.094 56.287 0.181 0.000 0.985 513 K CB 1.055 33.637 32.500 0.135 0.000 1.221 513 K HN 0.503 nan 8.250 nan 0.000 0.458 514 V N 4.432 124.399 119.914 0.089 0.000 2.439 514 V HA 0.396 4.515 4.120 -0.002 0.000 0.282 514 V C -0.261 175.865 176.094 0.053 0.000 1.039 514 V CA -0.595 61.748 62.300 0.072 0.000 0.913 514 V CB 1.280 33.143 31.823 0.068 0.000 0.983 514 V HN 0.721 nan 8.190 nan 0.000 0.460 515 E N 5.949 126.179 120.200 0.050 0.000 2.274 515 E HA 0.451 4.799 4.350 -0.002 0.000 0.269 515 E C -3.121 173.505 176.600 0.044 0.000 0.891 515 E CA -2.081 54.342 56.400 0.038 0.000 0.784 515 E CB 2.698 32.414 29.700 0.027 0.000 1.225 515 E HN 0.393 nan 8.360 nan 0.000 0.412 516 P HA 0.091 nan 4.420 nan 0.000 0.268 516 P C -0.696 176.629 177.300 0.043 0.000 1.208 516 P CA -0.376 62.749 63.100 0.043 0.000 0.777 516 P CB 0.832 32.553 31.700 0.035 0.000 0.875 517 L N 3.772 125.026 121.223 0.052 0.000 2.354 517 L HA 0.543 4.882 4.340 -0.002 0.000 0.264 517 L C -2.299 174.604 176.870 0.054 0.000 1.008 517 L CA -2.442 52.429 54.840 0.051 0.000 0.819 517 L CB 1.298 43.393 42.059 0.061 0.000 1.339 517 L HN 0.242 nan 8.230 nan 0.000 0.420 518 P HA 0.034 nan 4.420 nan 0.000 0.263 518 P C -0.801 176.542 177.300 0.071 0.000 1.175 518 P CA 0.036 63.169 63.100 0.054 0.000 0.761 518 P CB 0.201 31.927 31.700 0.044 0.000 0.794 519 R N 3.064 123.613 120.500 0.081 0.000 2.710 519 R HA 0.251 4.589 4.340 -0.002 0.000 0.301 519 R C 0.969 177.348 176.300 0.131 0.000 1.331 519 R CA 0.794 56.962 56.100 0.113 0.000 0.996 519 R CB -1.306 29.074 30.300 0.133 0.000 1.075 519 R HN 0.859 nan 8.270 nan 0.000 0.500 520 G N 0.435 109.314 108.800 0.132 0.000 2.244 520 G HA2 -0.158 3.801 3.960 -0.002 0.000 0.163 520 G HA3 -0.158 3.801 3.960 -0.002 0.000 0.163 520 G C 0.391 175.356 174.900 0.108 0.000 1.064 520 G CA -0.339 44.844 45.100 0.140 0.000 0.757 520 G HN 0.489 nan 8.290 nan 0.000 0.484 521 S N -1.040 114.721 115.700 0.103 0.000 2.452 521 S HA 0.578 5.047 4.470 -0.002 0.000 0.225 521 S C 1.725 176.389 174.600 0.107 0.000 1.057 521 S CA 1.782 60.035 58.200 0.089 0.000 0.949 521 S CB 0.284 63.531 63.200 0.078 0.000 0.836 521 S HN 2.236 nan 8.310 nan 0.000 0.518 522 G N 1.053 109.933 108.800 0.134 0.000 2.408 522 G HA2 -0.067 3.892 3.960 -0.002 0.000 0.204 522 G HA3 -0.067 3.892 3.960 -0.002 0.000 0.204 522 G C -1.294 173.761 174.900 0.259 0.000 1.186 522 G CA -0.346 44.858 45.100 0.174 0.000 1.139 522 G HN 0.409 nan 8.290 nan 0.000 0.563 523 F N 2.555 122.555 119.950 0.083 0.000 2.536 523 F HA 0.771 5.296 4.527 -0.002 0.000 0.322 523 F C -0.497 175.404 175.800 0.168 0.000 1.144 523 F CA -0.621 57.443 58.000 0.107 0.000 0.924 523 F CB 1.972 41.026 39.000 0.091 0.000 1.181 523 F HN 0.731 nan 8.300 nan 0.000 0.438 524 E N 7.326 127.387 120.200 -0.232 0.000 2.274 524 E HA 0.393 4.742 4.350 -0.002 0.000 0.269 524 E C -1.753 174.760 176.600 -0.145 0.000 0.891 524 E CA -0.662 55.615 56.400 -0.206 0.000 0.784 524 E CB 1.387 31.027 29.700 -0.101 0.000 1.225 524 E HN 0.378 nan 8.360 nan 0.000 0.412 525 F N 1.706 121.405 119.950 -0.418 0.000 2.410 525 F HA 0.777 5.303 4.527 -0.002 0.000 0.324 525 F C -0.623 175.097 175.800 -0.132 0.000 1.093 525 F CA -1.421 56.428 58.000 -0.252 0.000 1.028 525 F CB 0.571 39.421 39.000 -0.249 0.000 1.309 525 F HN 0.052 nan 8.300 nan 0.000 0.499 526 V N 0.931 120.864 119.914 0.032 0.000 2.532 526 V HA 0.240 4.358 4.120 -0.002 0.000 0.294 526 V C -0.423 175.684 176.094 0.021 0.000 1.036 526 V CA -0.990 61.287 62.300 -0.038 0.000 0.876 526 V CB 1.196 33.008 31.823 -0.018 0.000 1.012 526 V HN 0.916 nan 8.190 nan 0.000 0.432 527 N N 3.350 122.043 118.700 -0.012 0.000 3.103 527 N HA 0.187 4.925 4.740 -0.002 0.000 0.305 527 N C 0.763 176.280 175.510 0.012 0.000 1.232 527 N CA 0.014 53.072 53.050 0.013 0.000 1.190 527 N CB 0.401 38.883 38.487 -0.009 0.000 1.461 527 N HN 0.882 nan 8.380 nan 0.000 0.538 528 A N 3.465 126.310 122.820 0.042 0.000 3.117 528 A HA 0.188 4.507 4.320 -0.002 0.000 0.255 528 A C -0.171 177.456 177.584 0.072 0.000 1.583 528 A CA -0.156 51.920 52.037 0.066 0.000 1.234 528 A CB -0.288 18.778 19.000 0.111 0.000 1.076 528 A HN 0.410 nan 8.150 nan 0.000 0.653 529 I N 0.345 120.935 120.570 0.034 0.000 2.378 529 I HA 0.164 4.332 4.170 -0.002 0.000 0.291 529 I C 1.282 177.411 176.117 0.021 0.000 0.992 529 I CA -0.319 60.997 61.300 0.027 0.000 1.154 529 I CB 1.194 39.191 38.000 -0.006 0.000 1.315 529 I HN 0.172 nan 8.210 nan 0.000 0.448 530 V N 7.620 127.554 119.914 0.034 0.000 2.154 530 V HA -0.079 4.040 4.120 -0.002 0.000 0.140 530 V C 1.914 178.013 176.094 0.008 0.000 0.782 530 V CA 2.101 64.416 62.300 0.025 0.000 1.259 530 V CB -0.401 31.445 31.823 0.039 0.000 0.757 530 V HN 0.916 nan 8.190 nan 0.000 0.439 531 G N -1.069 107.737 108.800 0.010 0.000 2.421 531 G HA2 0.210 4.168 3.960 -0.002 0.000 0.216 531 G HA3 0.210 4.168 3.960 -0.002 0.000 0.216 531 G C 0.916 175.805 174.900 -0.018 0.000 1.171 531 G CA 1.031 46.131 45.100 -0.001 0.000 0.775 531 G HN 1.878 nan 8.290 nan 0.000 0.543 532 G N -1.219 107.569 108.800 -0.021 0.000 4.275 532 G HA2 0.122 4.081 3.960 -0.002 0.000 0.226 532 G HA3 0.122 4.081 3.960 -0.002 0.000 0.226 532 G C 0.634 175.482 174.900 -0.087 0.000 1.391 532 G CA 0.291 45.351 45.100 -0.065 0.000 1.225 532 G HN 0.404 nan 8.290 nan 0.000 0.627 533 V N 0.330 120.235 119.914 -0.015 0.000 2.794 533 V HA 0.015 4.134 4.120 -0.002 0.000 0.260 533 V C 1.402 177.463 176.094 -0.055 0.000 1.103 533 V CA 1.152 63.478 62.300 0.044 0.000 1.125 533 V CB -0.461 31.437 31.823 0.125 0.000 0.702 533 V HN 0.553 nan 8.190 nan 0.000 0.494 534 I N 1.637 122.133 120.570 -0.123 0.000 2.388 534 I HA 0.334 4.503 4.170 -0.002 0.000 0.281 534 I C -2.264 173.642 176.117 -0.352 0.000 1.046 534 I CA -1.986 59.196 61.300 -0.196 0.000 1.187 534 I CB 1.372 39.307 38.000 -0.107 0.000 1.351 534 I HN 0.108 nan 8.210 nan 0.000 0.472 535 P HA -0.100 nan 4.420 nan 0.000 0.271 535 P C 0.357 177.422 177.300 -0.391 0.000 1.197 535 P CA 0.376 63.153 63.100 -0.538 0.000 0.777 535 P CB 0.729 31.969 31.700 -0.767 0.000 0.827 536 K N 1.533 121.743 120.400 -0.317 0.000 1.985 536 K HA -0.177 4.142 4.320 -0.002 0.000 0.210 536 K C 1.699 178.171 176.600 -0.212 0.000 1.047 536 K CA 1.715 57.871 56.287 -0.217 0.000 0.932 536 K CB -0.354 32.046 32.500 -0.166 0.000 0.716 536 K HN 0.534 nan 8.250 nan 0.000 0.439 537 E N 0.044 120.078 120.200 -0.276 0.000 2.333 537 E HA -0.165 4.183 4.350 -0.002 0.000 0.198 537 E C 1.363 177.919 176.600 -0.072 0.000 1.007 537 E CA 0.858 57.141 56.400 -0.194 0.000 0.845 537 E CB -0.092 29.472 29.700 -0.226 0.000 0.766 537 E HN 0.394 nan 8.360 nan 0.000 0.507 538 Y N 0.115 120.314 120.300 -0.168 0.000 2.517 538 Y HA 0.035 4.584 4.550 -0.002 0.000 0.281 538 Y C 2.032 177.763 175.900 -0.282 0.000 1.125 538 Y CA -0.530 57.424 58.100 -0.244 0.000 1.283 538 Y CB -0.076 38.081 38.460 -0.505 0.000 1.042 538 Y HN 0.033 nan 8.280 nan 0.000 0.547 539 I N 0.976 121.484 120.570 -0.104 0.000 2.142 539 I HA -0.169 4.000 4.170 -0.002 0.000 0.240 539 I C -0.344 175.753 176.117 -0.034 0.000 1.078 539 I CA 1.318 62.566 61.300 -0.087 0.000 1.343 539 I CB -2.176 35.786 38.000 -0.064 0.000 1.046 539 I HN 0.081 nan 8.210 nan 0.000 0.405 540 P HA -0.216 nan 4.420 nan 0.000 0.217 540 P C 1.652 178.944 177.300 -0.014 0.000 1.162 540 P CA 2.457 65.550 63.100 -0.010 0.000 0.901 540 P CB -0.072 31.632 31.700 0.007 0.000 0.793 541 A N -0.875 121.954 122.820 0.015 0.000 2.019 541 A HA -0.154 4.165 4.320 -0.002 0.000 0.219 541 A C 2.353 179.951 177.584 0.023 0.000 1.164 541 A CA 1.705 53.756 52.037 0.024 0.000 0.644 541 A CB -1.717 17.318 19.000 0.059 0.000 0.805 541 A HN 0.204 nan 8.150 nan 0.000 0.449 542 V N -0.446 119.480 119.914 0.020 0.000 2.759 542 V HA -0.206 3.913 4.120 -0.002 0.000 0.256 542 V C 2.177 178.270 176.094 -0.002 0.000 1.080 542 V CA 2.514 64.835 62.300 0.036 0.000 1.101 542 V CB -0.244 31.595 31.823 0.027 0.000 0.698 542 V HN 0.771 nan 8.190 nan 0.000 0.477 543 Q N -0.380 119.394 119.800 -0.044 0.000 2.200 543 Q HA -0.109 4.229 4.340 -0.002 0.000 0.197 543 Q C 2.328 178.283 176.000 -0.075 0.000 0.953 543 Q CA 0.910 56.652 55.803 -0.101 0.000 0.851 543 Q CB -0.151 28.442 28.738 -0.242 0.000 0.938 543 Q HN 0.588 nan 8.270 nan 0.000 0.488 544 K N -0.314 120.048 120.400 -0.063 0.000 2.362 544 K HA -0.154 4.164 4.320 -0.002 0.000 0.202 544 K C 1.593 178.168 176.600 -0.042 0.000 1.045 544 K CA 1.191 57.449 56.287 -0.048 0.000 0.936 544 K CB -0.140 32.339 32.500 -0.035 0.000 0.747 544 K HN 0.351 nan 8.250 nan 0.000 0.467 545 G N 0.737 109.517 108.800 -0.033 0.000 2.417 545 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.212 545 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.212 545 G C 1.446 176.329 174.900 -0.027 0.000 1.187 545 G CA 0.145 45.224 45.100 -0.035 0.000 0.804 545 G HN 0.156 nan 8.290 nan 0.000 0.534 546 I N 0.361 120.928 120.570 -0.005 0.000 2.133 546 I HA -0.105 4.064 4.170 -0.002 0.000 0.238 546 I C 2.665 178.793 176.117 0.019 0.000 1.074 546 I CA 1.363 62.679 61.300 0.027 0.000 1.342 546 I CB -0.248 37.793 38.000 0.069 0.000 1.053 546 I HN 0.261 nan 8.210 nan 0.000 0.404 547 E N 0.950 121.168 120.200 0.030 0.000 2.086 547 E HA -0.337 4.012 4.350 -0.002 0.000 0.200 547 E C 1.986 178.500 176.600 -0.144 0.000 1.012 547 E CA 2.021 58.372 56.400 -0.082 0.000 0.812 547 E CB -0.035 29.639 29.700 -0.043 0.000 0.743 547 E HN 0.389 nan 8.360 nan 0.000 0.453 548 E N -0.277 119.870 120.200 -0.089 0.000 2.007 548 E HA -0.288 4.061 4.350 -0.002 0.000 0.203 548 E C 1.991 178.540 176.600 -0.085 0.000 1.020 548 E CA 1.420 57.769 56.400 -0.085 0.000 0.845 548 E CB -0.327 29.335 29.700 -0.063 0.000 0.779 548 E HN 0.347 nan 8.360 nan 0.000 0.466 549 A N 0.712 123.494 122.820 -0.063 0.000 2.054 549 A HA -0.259 4.059 4.320 -0.002 0.000 0.223 549 A C 2.122 179.672 177.584 -0.057 0.000 1.169 549 A CA 2.155 54.162 52.037 -0.051 0.000 0.655 549 A CB -0.804 18.175 19.000 -0.034 0.000 0.812 549 A HN 0.422 nan 8.150 nan 0.000 0.462 550 M N -0.709 118.840 119.600 -0.085 0.000 2.706 550 M HA -0.143 4.336 4.480 -0.002 0.000 0.251 550 M C 1.947 178.185 176.300 -0.104 0.000 1.070 550 M CA 0.610 55.848 55.300 -0.103 0.000 1.073 550 M CB -0.252 32.241 32.600 -0.179 0.000 1.449 550 M HN 0.406 nan 8.290 nan 0.000 0.531 551 Q N 0.311 120.052 119.800 -0.098 0.000 1.941 551 Q HA 0.001 4.340 4.340 -0.002 0.000 0.201 551 Q C 1.030 176.992 176.000 -0.063 0.000 0.982 551 Q CA 1.056 56.801 55.803 -0.097 0.000 0.839 551 Q CB -0.466 28.218 28.738 -0.090 0.000 0.904 551 Q HN 0.332 nan 8.270 nan 0.000 0.427 552 S N 0.839 116.518 115.700 -0.035 0.000 2.411 552 S HA 0.448 4.917 4.470 -0.002 0.000 0.294 552 S C 0.192 174.802 174.600 0.016 0.000 1.115 552 S CA -0.350 57.852 58.200 0.004 0.000 1.071 552 S CB 0.280 63.481 63.200 0.002 0.000 0.967 552 S HN 0.367 nan 8.310 nan 0.000 0.488 553 G N 5.257 114.087 108.800 0.050 0.000 2.771 553 G HA2 0.180 4.139 3.960 -0.002 0.000 0.242 553 G HA3 0.180 4.139 3.960 -0.002 0.000 0.242 553 G C -1.370 173.540 174.900 0.016 0.000 1.233 553 G CA -0.776 44.346 45.100 0.038 0.000 0.858 553 G HN 0.589 nan 8.290 nan 0.000 0.591 554 P HA 0.057 nan 4.420 nan 0.000 0.239 554 P C 1.571 178.861 177.300 -0.017 0.000 1.188 554 P CA 0.526 63.622 63.100 -0.007 0.000 0.794 554 P CB 0.418 32.114 31.700 -0.007 0.000 0.937 555 L N -0.415 120.793 121.223 -0.026 0.000 2.187 555 L HA 0.175 4.514 4.340 -0.002 0.000 0.197 555 L C 2.599 179.436 176.870 -0.056 0.000 1.090 555 L CA 1.072 55.881 54.840 -0.051 0.000 0.781 555 L CB -0.387 41.626 42.059 -0.078 0.000 0.956 555 L HN -0.132 nan 8.230 nan 0.000 0.463 556 I N -4.650 115.885 120.570 -0.058 0.000 4.433 556 I HA 0.461 4.629 4.170 -0.002 0.000 0.322 556 I C 1.037 177.175 176.117 0.035 0.000 1.284 556 I CA 0.683 61.947 61.300 -0.059 0.000 1.269 556 I CB 1.381 39.276 38.000 -0.176 0.000 1.219 556 I HN 0.253 nan 8.210 nan 0.000 0.436 557 G N 1.086 109.948 108.800 0.103 0.000 2.174 557 G HA2 -0.045 3.913 3.960 -0.002 0.000 0.140 557 G HA3 -0.045 3.913 3.960 -0.002 0.000 0.140 557 G C -0.525 174.598 174.900 0.372 0.000 1.031 557 G CA -0.564 44.651 45.100 0.191 0.000 0.728 557 G HN 0.178 nan 8.290 nan 0.000 0.496 558 F N 0.212 120.145 119.950 -0.030 0.000 2.523 558 F HA 0.615 5.141 4.527 -0.002 0.000 0.329 558 F C -1.975 173.793 175.800 -0.053 0.000 1.061 558 F CA -3.018 54.965 58.000 -0.028 0.000 0.967 558 F CB 1.665 40.671 39.000 0.010 0.000 1.218 558 F HN -0.236 nan 8.300 nan 0.000 0.480 559 P HA -0.096 nan 4.420 nan 0.000 0.227 559 P C -0.512 176.764 177.300 -0.039 0.000 1.036 559 P CA 0.310 63.373 63.100 -0.061 0.000 1.080 559 P CB -0.401 31.235 31.700 -0.106 0.000 1.046 560 V N 5.383 125.277 119.914 -0.033 0.000 2.441 560 V HA -0.030 4.088 4.120 -0.002 0.000 0.279 560 V C 1.131 177.199 176.094 -0.043 0.000 0.990 560 V CA 0.649 62.933 62.300 -0.027 0.000 1.116 560 V CB -0.615 31.197 31.823 -0.019 0.000 0.977 560 V HN 0.297 nan 8.190 nan 0.000 0.470 561 V N 1.465 121.360 119.914 -0.031 0.000 3.182 561 V HA 0.767 4.886 4.120 -0.002 0.000 0.311 561 V C -0.190 175.930 176.094 0.043 0.000 1.221 561 V CA -1.209 61.089 62.300 -0.004 0.000 1.060 561 V CB 1.733 33.544 31.823 -0.020 0.000 1.164 561 V HN 0.623 nan 8.190 nan 0.000 0.466 562 D N 0.614 121.067 120.400 0.087 0.000 2.990 562 D HA -0.114 4.525 4.640 -0.002 0.000 0.245 562 D C -0.626 175.734 176.300 0.100 0.000 1.120 562 D CA 1.671 55.730 54.000 0.097 0.000 0.838 562 D CB -1.090 39.755 40.800 0.075 0.000 1.000 562 D HN 1.098 nan 8.370 nan 0.000 0.420 563 I N -3.591 117.061 120.570 0.137 0.000 3.066 563 I HA 0.570 4.739 4.170 -0.002 0.000 0.307 563 I C -0.952 175.245 176.117 0.133 0.000 1.366 563 I CA -1.190 60.187 61.300 0.128 0.000 0.972 563 I CB 2.591 40.670 38.000 0.132 0.000 1.307 563 I HN -0.080 nan 8.210 nan 0.000 0.470 564 K N 3.055 123.508 120.400 0.088 0.000 2.397 564 K HA 0.758 5.077 4.320 -0.002 0.000 0.253 564 K C -1.982 174.653 176.600 0.059 0.000 0.932 564 K CA -0.574 55.743 56.287 0.049 0.000 0.795 564 K CB 2.450 34.963 32.500 0.022 0.000 1.159 564 K HN 0.635 nan 8.250 nan 0.000 0.424 565 V N 2.760 122.705 119.914 0.052 0.000 2.513 565 V HA 0.446 4.565 4.120 -0.002 0.000 0.299 565 V C -0.582 175.558 176.094 0.077 0.000 1.035 565 V CA -0.639 61.710 62.300 0.081 0.000 0.889 565 V CB 1.896 33.780 31.823 0.103 0.000 0.988 565 V HN 0.892 nan 8.190 nan 0.000 0.440 566 T N 5.287 119.901 114.554 0.099 0.000 2.840 566 T HA 0.489 4.838 4.350 -0.002 0.000 0.287 566 T C -0.684 174.107 174.700 0.152 0.000 0.991 566 T CA -0.320 61.849 62.100 0.115 0.000 0.964 566 T CB 1.355 70.296 68.868 0.123 0.000 0.954 566 T HN 0.559 nan 8.240 nan 0.000 0.438 567 L N 4.483 125.774 121.223 0.112 0.000 2.259 567 L HA 0.487 4.826 4.340 -0.002 0.000 0.288 567 L C -0.052 176.865 176.870 0.078 0.000 1.051 567 L CA -0.257 54.614 54.840 0.052 0.000 0.824 567 L CB -0.267 41.815 42.059 0.040 0.000 1.206 567 L HN 0.764 nan 8.230 nan 0.000 0.429 568 Y N 0.873 121.194 120.300 0.035 0.000 2.588 568 Y HA 0.663 5.212 4.550 -0.002 0.000 0.247 568 Y C -0.331 175.598 175.900 0.049 0.000 1.157 568 Y CA -0.769 57.350 58.100 0.032 0.000 1.215 568 Y CB 0.160 38.636 38.460 0.025 0.000 1.245 568 Y HN 0.560 nan 8.280 nan 0.000 0.534 569 D N -0.785 119.383 120.400 -0.387 0.000 2.809 569 D HA 0.547 5.186 4.640 -0.002 0.000 0.336 569 D C -1.110 175.147 176.300 -0.071 0.000 1.367 569 D CA 0.527 54.417 54.000 -0.183 0.000 0.815 569 D CB 1.520 42.205 40.800 -0.192 0.000 1.381 569 D HN 0.465 nan 8.370 nan 0.000 0.471 570 G N 0.054 108.934 108.800 0.134 0.000 2.462 570 G HA2 0.480 4.439 3.960 -0.002 0.000 0.424 570 G HA3 0.480 4.439 3.960 -0.002 0.000 0.424 570 G C -0.328 174.842 174.900 0.450 0.000 1.573 570 G CA 0.155 45.476 45.100 0.369 0.000 0.913 570 G HN 0.685 nan 8.290 nan 0.000 0.672 571 S N 0.812 116.843 115.700 0.552 0.000 2.561 571 S HA 0.988 5.457 4.470 -0.002 0.000 0.282 571 S C -0.058 175.013 174.600 0.785 0.000 1.123 571 S CA 0.164 58.648 58.200 0.474 0.000 1.011 571 S CB 1.614 64.943 63.200 0.215 0.000 1.244 571 S HN 2.371 nan 8.310 nan 0.000 0.503 572 Y N -2.137 118.373 120.300 0.350 0.000 2.852 572 Y HA 0.689 5.237 4.550 -0.002 0.000 0.350 572 Y C -1.591 174.135 175.900 -0.291 0.000 1.272 572 Y CA -1.327 56.967 58.100 0.322 0.000 1.086 572 Y CB 0.123 38.901 38.460 0.532 0.000 1.408 572 Y HN 0.936 nan 8.280 nan 0.000 0.447 573 H N 0.615 119.228 119.070 -0.762 0.000 2.538 573 H HA 0.402 4.957 4.556 -0.002 0.000 0.353 573 H C 0.718 175.757 175.328 -0.481 0.000 1.109 573 H CA -0.082 55.425 56.048 -0.903 0.000 1.192 573 H CB 2.298 31.442 29.762 -1.030 0.000 1.555 573 H HN 0.853 nan 8.280 nan 0.000 0.518 574 E N 2.062 121.716 120.200 -0.910 0.000 2.065 574 E HA -0.192 4.157 4.350 -0.002 0.000 0.201 574 E C 0.888 177.428 176.600 -0.100 0.000 1.016 574 E CA 2.352 58.503 56.400 -0.415 0.000 0.818 574 E CB 0.216 29.645 29.700 -0.451 0.000 0.749 574 E HN 0.447 nan 8.360 nan 0.000 0.453 575 V N 0.034 119.934 119.914 -0.022 0.000 3.570 575 V HA -0.022 4.096 4.120 -0.002 0.000 0.257 575 V C 0.978 177.180 176.094 0.179 0.000 1.272 575 V CA 0.834 63.200 62.300 0.110 0.000 1.079 575 V CB 0.200 32.081 31.823 0.098 0.000 0.829 575 V HN 0.170 nan 8.190 nan 0.000 0.454 576 D N 0.430 121.006 120.400 0.293 0.000 2.120 576 D HA 0.005 4.644 4.640 -0.002 0.000 0.202 576 D C 1.378 177.773 176.300 0.159 0.000 0.972 576 D CA 0.675 54.771 54.000 0.159 0.000 0.837 576 D CB -0.293 40.523 40.800 0.025 0.000 0.989 576 D HN 0.308 nan 8.370 nan 0.000 0.469 577 S N -0.126 115.692 115.700 0.198 0.000 2.540 577 S HA 0.187 4.656 4.470 -0.002 0.000 0.272 577 S C 0.422 175.038 174.600 0.026 0.000 1.357 577 S CA 0.037 58.316 58.200 0.133 0.000 1.011 577 S CB 0.638 64.045 63.200 0.345 0.000 0.852 577 S HN 0.180 nan 8.310 nan 0.000 0.535 578 S N -1.051 114.533 115.700 -0.194 0.000 2.579 578 S HA 0.294 4.762 4.470 -0.002 0.000 0.272 578 S C 0.674 175.079 174.600 -0.325 0.000 1.141 578 S CA -0.581 57.528 58.200 -0.152 0.000 0.843 578 S CB 1.488 64.672 63.200 -0.028 0.000 1.122 578 S HN 0.845 nan 8.310 nan 0.000 0.468 579 E N 2.424 122.572 120.200 -0.086 0.000 2.038 579 E HA -0.190 4.159 4.350 -0.002 0.000 0.195 579 E C 1.758 178.358 176.600 -0.000 0.000 1.000 579 E CA 1.473 57.886 56.400 0.022 0.000 0.803 579 E CB -0.241 29.533 29.700 0.124 0.000 0.750 579 E HN 0.712 nan 8.360 nan 0.000 0.448 580 M N 0.572 120.165 119.600 -0.012 0.000 2.117 580 M HA -0.130 4.349 4.480 -0.002 0.000 0.262 580 M C 2.367 178.613 176.300 -0.090 0.000 1.065 580 M CA 1.700 56.981 55.300 -0.031 0.000 1.114 580 M CB -0.426 32.160 32.600 -0.023 0.000 1.361 580 M HN 0.307 nan 8.290 nan 0.000 0.408 581 A N 0.270 123.026 122.820 -0.107 0.000 2.009 581 A HA -0.252 4.067 4.320 -0.002 0.000 0.222 581 A C 1.748 179.120 177.584 -0.354 0.000 1.175 581 A CA 1.939 53.851 52.037 -0.209 0.000 0.651 581 A CB -1.253 17.692 19.000 -0.091 0.000 0.815 581 A HN 0.569 nan 8.150 nan 0.000 0.459 582 F N -0.185 119.656 119.950 -0.182 0.000 2.163 582 F HA -0.069 4.457 4.527 -0.002 0.000 0.297 582 F C 2.329 178.038 175.800 -0.152 0.000 1.094 582 F CA 1.682 59.605 58.000 -0.128 0.000 1.290 582 F CB -0.157 38.800 39.000 -0.070 0.000 1.017 582 F HN 0.122 nan 8.300 nan 0.000 0.483 583 K N 0.919 121.338 120.400 0.030 0.000 2.173 583 K HA -0.207 4.111 4.320 -0.002 0.000 0.207 583 K C 1.852 178.379 176.600 -0.121 0.000 1.046 583 K CA 1.459 57.725 56.287 -0.036 0.000 0.929 583 K CB -0.451 32.025 32.500 -0.040 0.000 0.720 583 K HN 0.217 nan 8.250 nan 0.000 0.453 584 I N 0.920 121.331 120.570 -0.266 0.000 2.162 584 I HA -0.178 3.990 4.170 -0.002 0.000 0.238 584 I C 2.630 178.550 176.117 -0.327 0.000 1.076 584 I CA 1.226 62.288 61.300 -0.397 0.000 1.353 584 I CB -1.653 35.795 38.000 -0.920 0.000 1.063 584 I HN 0.124 nan 8.210 nan 0.000 0.408 585 A N 1.376 123.971 122.820 -0.376 0.000 1.896 585 A HA -0.238 4.081 4.320 -0.002 0.000 0.220 585 A C 2.459 180.008 177.584 -0.058 0.000 1.206 585 A CA 2.537 54.475 52.037 -0.164 0.000 0.647 585 A CB -1.567 17.363 19.000 -0.117 0.000 0.828 585 A HN 0.482 nan 8.150 nan 0.000 0.455 586 G N -1.740 107.059 108.800 -0.002 0.000 2.432 586 G HA2 -0.116 3.843 3.960 -0.002 0.000 0.219 586 G HA3 -0.116 3.843 3.960 -0.002 0.000 0.219 586 G C 1.754 176.645 174.900 -0.014 0.000 1.135 586 G CA 1.383 46.494 45.100 0.018 0.000 0.767 586 G HN 0.598 nan 8.290 nan 0.000 0.550 587 S N -0.732 114.939 115.700 -0.048 0.000 2.593 587 S HA 0.228 4.696 4.470 -0.002 0.000 0.217 587 S C 2.125 176.699 174.600 -0.043 0.000 0.966 587 S CA 0.185 58.357 58.200 -0.046 0.000 0.914 587 S CB -0.203 62.957 63.200 -0.067 0.000 0.776 587 S HN 0.369 nan 8.310 nan 0.000 0.523 588 M N -0.087 119.486 119.600 -0.046 0.000 2.557 588 M HA 0.256 4.735 4.480 -0.002 0.000 0.262 588 M C 2.453 178.745 176.300 -0.013 0.000 1.168 588 M CA 0.884 56.168 55.300 -0.027 0.000 1.194 588 M CB -0.391 32.195 32.600 -0.022 0.000 1.311 588 M HN 0.350 nan 8.290 nan 0.000 0.489 589 A N 0.840 123.651 122.820 -0.015 0.000 1.978 589 A HA -0.141 4.178 4.320 -0.002 0.000 0.220 589 A C 2.018 179.609 177.584 0.011 0.000 1.170 589 A CA 1.350 53.383 52.037 -0.007 0.000 0.636 589 A CB -0.654 18.338 19.000 -0.012 0.000 0.810 589 A HN 0.363 nan 8.150 nan 0.000 0.448 590 I N -0.689 119.890 120.570 0.014 0.000 2.277 590 I HA -0.070 4.098 4.170 -0.002 0.000 0.243 590 I C 1.796 177.922 176.117 0.015 0.000 1.094 590 I CA 1.122 62.437 61.300 0.025 0.000 1.393 590 I CB -0.836 37.184 38.000 0.034 0.000 1.078 590 I HN 0.156 nan 8.210 nan 0.000 0.417 591 K N 0.838 121.240 120.400 0.003 0.000 2.585 591 K HA -0.159 4.160 4.320 -0.002 0.000 0.194 591 K C 1.521 178.122 176.600 0.003 0.000 1.037 591 K CA 0.791 57.077 56.287 -0.001 0.000 0.964 591 K CB -0.033 32.462 32.500 -0.008 0.000 0.787 591 K HN 0.481 nan 8.250 nan 0.000 0.488 592 E N -1.740 118.464 120.200 0.007 0.000 2.444 592 E HA 0.138 4.487 4.350 -0.002 0.000 0.209 592 E C 1.518 178.127 176.600 0.015 0.000 0.806 592 E CA 0.301 56.707 56.400 0.009 0.000 1.240 592 E CB 0.256 29.961 29.700 0.007 0.000 1.238 592 E HN 0.121 nan 8.360 nan 0.000 0.591 593 A N 0.818 123.651 122.820 0.021 0.000 1.940 593 A HA -0.156 4.163 4.320 -0.002 0.000 0.219 593 A C 2.183 179.782 177.584 0.026 0.000 1.176 593 A CA 1.526 53.581 52.037 0.029 0.000 0.631 593 A CB -0.553 18.472 19.000 0.042 0.000 0.814 593 A HN 0.177 nan 8.150 nan 0.000 0.446 594 V N -0.838 119.089 119.914 0.022 0.000 2.379 594 V HA -0.244 3.875 4.120 -0.002 0.000 0.245 594 V C 2.592 178.692 176.094 0.009 0.000 1.044 594 V CA 2.094 64.405 62.300 0.018 0.000 1.036 594 V CB -0.772 31.060 31.823 0.015 0.000 0.664 594 V HN 0.650 nan 8.190 nan 0.000 0.453 595 Q N -0.182 119.622 119.800 0.007 0.000 2.119 595 Q HA -0.207 4.132 4.340 -0.002 0.000 0.201 595 Q C 2.322 178.324 176.000 0.003 0.000 0.972 595 Q CA 1.733 57.537 55.803 0.002 0.000 0.847 595 Q CB -0.060 28.679 28.738 0.001 0.000 0.903 595 Q HN 0.569 nan 8.270 nan 0.000 0.433 596 K N -1.172 119.233 120.400 0.008 0.000 2.098 596 K HA -0.003 4.316 4.320 -0.002 0.000 0.203 596 K C 1.304 177.910 176.600 0.011 0.000 1.051 596 K CA 1.024 57.318 56.287 0.010 0.000 0.957 596 K CB 0.006 32.514 32.500 0.014 0.000 0.738 596 K HN 0.225 nan 8.250 nan 0.000 0.447 597 G N 1.147 109.955 108.800 0.014 0.000 3.332 597 G HA2 0.005 3.963 3.960 -0.002 0.000 0.242 597 G HA3 0.005 3.963 3.960 -0.002 0.000 0.242 597 G C -1.094 173.811 174.900 0.009 0.000 1.276 597 G CA -0.072 45.036 45.100 0.014 0.000 0.988 597 G HN 0.463 nan 8.290 nan 0.000 0.517 598 D N 0.089 120.491 120.400 0.004 0.000 4.543 598 D HA -0.122 4.516 4.640 -0.002 0.000 0.236 598 D C -2.089 174.209 176.300 -0.003 0.000 1.047 598 D CA 0.397 54.397 54.000 -0.001 0.000 1.254 598 D CB 0.402 41.202 40.800 -0.000 0.000 0.762 598 D HN 0.290 nan 8.370 nan 0.000 0.381 599 P HA 0.174 nan 4.420 nan 0.000 0.272 599 P C -0.749 176.537 177.300 -0.022 0.000 1.230 599 P CA -0.414 62.678 63.100 -0.015 0.000 0.788 599 P CB 1.327 33.014 31.700 -0.021 0.000 0.949 600 V N 3.789 123.688 119.914 -0.025 0.000 2.655 600 V HA 0.283 4.402 4.120 -0.002 0.000 0.301 600 V C -0.183 175.884 176.094 -0.045 0.000 1.082 600 V CA -0.919 61.363 62.300 -0.031 0.000 0.899 600 V CB 1.333 33.149 31.823 -0.012 0.000 1.014 600 V HN 0.324 nan 8.190 nan 0.000 0.429 601 I N 7.994 128.517 120.570 -0.078 0.000 2.455 601 I HA 0.117 4.285 4.170 -0.002 0.000 0.303 601 I C 0.535 176.619 176.117 -0.055 0.000 1.180 601 I CA 0.318 61.543 61.300 -0.124 0.000 1.469 601 I CB -0.144 37.708 38.000 -0.246 0.000 1.480 601 I HN 0.450 nan 8.210 nan 0.000 0.669 602 L N 6.426 127.647 121.223 -0.002 0.000 2.482 602 L HA 0.168 4.506 4.340 -0.002 0.000 0.273 602 L C 0.555 177.562 176.870 0.228 0.000 1.228 602 L CA 0.285 55.170 54.840 0.074 0.000 0.827 602 L CB 0.346 42.412 42.059 0.013 0.000 1.099 602 L HN 0.637 nan 8.230 nan 0.000 0.494 603 E N 1.922 122.333 120.200 0.352 0.000 2.445 603 E HA 0.500 4.849 4.350 -0.002 0.000 0.279 603 E C -2.886 173.996 176.600 0.470 0.000 1.018 603 E CA -2.040 54.664 56.400 0.507 0.000 0.816 603 E CB 2.172 32.134 29.700 0.436 0.000 1.356 603 E HN 0.207 nan 8.360 nan 0.000 0.462 604 P HA 0.248 nan 4.420 nan 0.000 0.282 604 P C -0.897 176.305 177.300 -0.162 0.000 1.262 604 P CA -0.243 62.817 63.100 -0.066 0.000 0.773 604 P CB 0.566 32.308 31.700 0.070 0.000 0.879 605 I N 4.753 125.076 120.570 -0.410 0.000 2.441 605 I HA 0.390 4.559 4.170 -0.002 0.000 0.295 605 I C 0.661 176.598 176.117 -0.301 0.000 0.994 605 I CA -0.681 60.391 61.300 -0.379 0.000 1.144 605 I CB 1.262 38.844 38.000 -0.698 0.000 1.314 605 I HN 0.221 nan 8.210 nan 0.000 0.445 606 M N 4.803 124.370 119.600 -0.056 0.000 2.654 606 M HA 0.526 5.005 4.480 -0.002 0.000 0.310 606 M C -0.227 176.242 176.300 0.281 0.000 1.211 606 M CA -0.614 54.731 55.300 0.076 0.000 0.947 606 M CB 1.552 34.204 32.600 0.086 0.000 1.647 606 M HN 0.357 nan 8.290 nan 0.000 0.481 607 R N 0.633 121.312 120.500 0.299 0.000 2.295 607 R HA 0.728 5.067 4.340 -0.002 0.000 0.324 607 R C -1.206 175.225 176.300 0.218 0.000 0.968 607 R CA -0.478 55.833 56.100 0.351 0.000 0.837 607 R CB 1.321 31.875 30.300 0.422 0.000 1.133 607 R HN 0.456 nan 8.270 nan 0.000 0.450 608 V N 1.806 121.811 119.914 0.153 0.000 3.001 608 V HA 0.456 4.575 4.120 -0.002 0.000 0.314 608 V C -0.469 175.703 176.094 0.129 0.000 1.099 608 V CA -0.987 61.395 62.300 0.136 0.000 0.989 608 V CB 2.467 34.372 31.823 0.137 0.000 1.040 608 V HN 0.754 nan 8.190 nan 0.000 0.434 609 E N 1.108 121.405 120.200 0.162 0.000 2.528 609 E HA 0.353 4.702 4.350 -0.002 0.000 0.277 609 E C -1.000 175.714 176.600 0.190 0.000 0.980 609 E CA -0.511 55.976 56.400 0.146 0.000 0.796 609 E CB 2.151 31.925 29.700 0.123 0.000 1.427 609 E HN 0.677 nan 8.360 nan 0.000 0.394 610 V N 0.396 120.429 119.914 0.198 0.000 2.572 610 V HA 0.288 4.407 4.120 -0.002 0.000 0.291 610 V C 0.258 176.426 176.094 0.123 0.000 1.039 610 V CA -0.222 62.194 62.300 0.193 0.000 1.055 610 V CB 0.822 32.737 31.823 0.153 0.000 0.969 610 V HN 0.464 nan 8.190 nan 0.000 0.482 611 T N 4.519 119.140 114.554 0.111 0.000 2.738 611 T HA 0.529 4.878 4.350 -0.002 0.000 0.298 611 T C 0.134 174.875 174.700 0.069 0.000 0.962 611 T CA -0.014 62.136 62.100 0.082 0.000 0.972 611 T CB 0.788 69.701 68.868 0.074 0.000 0.928 611 T HN 1.070 nan 8.240 nan 0.000 0.474 612 T N 3.920 118.519 114.554 0.074 0.000 2.933 612 T HA 0.515 4.863 4.350 -0.002 0.000 0.305 612 T C -3.034 171.733 174.700 0.112 0.000 1.092 612 T CA -2.195 59.959 62.100 0.089 0.000 1.008 612 T CB 1.536 70.455 68.868 0.085 0.000 1.102 612 T HN 0.092 nan 8.240 nan 0.000 0.469 613 P HA 0.209 nan 4.420 nan 0.000 0.276 613 P C 0.236 177.594 177.300 0.096 0.000 1.253 613 P CA -0.247 62.928 63.100 0.126 0.000 0.766 613 P CB 0.420 32.218 31.700 0.163 0.000 0.845 614 E N 1.740 121.969 120.200 0.048 0.000 2.504 614 E HA -0.240 4.109 4.350 -0.002 0.000 0.206 614 E C 0.782 177.370 176.600 -0.019 0.000 1.109 614 E CA 1.250 57.664 56.400 0.024 0.000 0.906 614 E CB -0.944 28.763 29.700 0.011 0.000 0.843 614 E HN 0.567 nan 8.360 nan 0.000 0.584 615 E N -0.305 119.855 120.200 -0.067 0.000 2.028 615 E HA -0.126 4.223 4.350 -0.002 0.000 0.190 615 E C 1.217 177.664 176.600 -0.254 0.000 0.984 615 E CA 1.194 57.450 56.400 -0.239 0.000 0.800 615 E CB -0.203 29.195 29.700 -0.505 0.000 0.758 615 E HN 0.490 nan 8.360 nan 0.000 0.448 616 Y N 0.239 120.534 120.300 -0.007 0.000 2.420 616 Y HA -0.009 4.540 4.550 -0.002 0.000 0.292 616 Y C 2.326 178.222 175.900 -0.007 0.000 1.119 616 Y CA 0.280 58.373 58.100 -0.011 0.000 1.229 616 Y CB -0.285 38.164 38.460 -0.019 0.000 1.026 616 Y HN 0.018 nan 8.280 nan 0.000 0.554 617 M N 0.722 120.405 119.600 0.138 0.000 2.785 617 M HA -0.418 4.060 4.480 -0.002 0.000 0.260 617 M C 2.407 178.741 176.300 0.057 0.000 0.983 617 M CA 2.533 57.880 55.300 0.078 0.000 1.018 617 M CB -1.014 31.615 32.600 0.049 0.000 1.371 617 M HN 0.497 nan 8.290 nan 0.000 0.474 618 G N 0.035 108.858 108.800 0.038 0.000 2.783 618 G HA2 -0.378 3.580 3.960 -0.002 0.000 0.225 618 G HA3 -0.378 3.580 3.960 -0.002 0.000 0.225 618 G C 0.880 175.801 174.900 0.035 0.000 1.191 618 G CA 1.798 46.915 45.100 0.027 0.000 0.774 618 G HN 0.719 nan 8.290 nan 0.000 0.632 619 D N 0.082 120.510 120.400 0.048 0.000 2.194 619 D HA -0.016 4.623 4.640 -0.002 0.000 0.204 619 D C 2.766 179.094 176.300 0.046 0.000 0.964 619 D CA 0.763 54.789 54.000 0.045 0.000 0.846 619 D CB -0.605 40.225 40.800 0.051 0.000 0.962 619 D HN 0.251 nan 8.370 nan 0.000 0.490 620 V N 1.991 121.939 119.914 0.057 0.000 2.250 620 V HA -0.294 3.825 4.120 -0.002 0.000 0.253 620 V C 2.570 178.696 176.094 0.052 0.000 1.065 620 V CA 1.599 63.932 62.300 0.055 0.000 1.039 620 V CB -0.499 31.363 31.823 0.064 0.000 0.647 620 V HN 0.195 nan 8.190 nan 0.000 0.446 621 I N 0.023 120.619 120.570 0.043 0.000 2.353 621 I HA -0.076 4.093 4.170 -0.002 0.000 0.248 621 I C 2.563 178.698 176.117 0.030 0.000 1.119 621 I CA 1.287 62.607 61.300 0.034 0.000 1.417 621 I CB -1.007 37.008 38.000 0.025 0.000 1.078 621 I HN 0.407 nan 8.210 nan 0.000 0.421 622 G N 1.056 109.874 108.800 0.030 0.000 2.587 622 G HA2 -0.371 3.588 3.960 -0.002 0.000 0.217 622 G HA3 -0.371 3.588 3.960 -0.002 0.000 0.217 622 G C 1.386 176.303 174.900 0.029 0.000 1.240 622 G CA 1.253 46.369 45.100 0.026 0.000 0.794 622 G HN 0.377 nan 8.290 nan 0.000 0.580 623 D N 0.451 120.872 120.400 0.035 0.000 2.268 623 D HA -0.189 4.450 4.640 -0.002 0.000 0.189 623 D C 2.485 178.809 176.300 0.040 0.000 1.010 623 D CA 1.468 55.493 54.000 0.043 0.000 0.862 623 D CB -0.357 40.476 40.800 0.055 0.000 0.943 623 D HN 0.124 nan 8.370 nan 0.000 0.451 624 L N 0.779 122.025 121.223 0.039 0.000 2.127 624 L HA -0.130 4.209 4.340 -0.002 0.000 0.211 624 L C 2.284 179.159 176.870 0.009 0.000 1.089 624 L CA 1.435 56.281 54.840 0.011 0.000 0.757 624 L CB -1.035 41.031 42.059 0.011 0.000 0.899 624 L HN 0.138 nan 8.230 nan 0.000 0.434 625 N N -0.831 117.879 118.700 0.017 0.000 2.106 625 N HA -0.047 4.691 4.740 -0.002 0.000 0.188 625 N C 1.232 176.753 175.510 0.019 0.000 1.029 625 N CA 0.937 53.998 53.050 0.019 0.000 0.848 625 N CB -0.142 38.357 38.487 0.019 0.000 1.007 625 N HN 0.302 nan 8.380 nan 0.000 0.423 626 A N 0.220 123.052 122.820 0.020 0.000 2.728 626 A HA 0.219 4.537 4.320 -0.002 0.000 0.258 626 A C 0.466 178.062 177.584 0.021 0.000 1.454 626 A CA 0.192 52.242 52.037 0.021 0.000 1.146 626 A CB -0.237 18.777 19.000 0.022 0.000 0.985 626 A HN 0.206 nan 8.150 nan 0.000 0.603 627 R N -0.483 120.026 120.500 0.016 0.000 2.688 627 R HA 0.280 4.618 4.340 -0.002 0.000 0.396 627 R C 0.242 176.551 176.300 0.014 0.000 1.081 627 R CA -0.416 55.690 56.100 0.010 0.000 1.093 627 R CB 0.002 30.294 30.300 -0.013 0.000 1.338 627 R HN 0.568 nan 8.270 nan 0.000 0.613 628 R N -1.234 119.280 120.500 0.023 0.000 3.989 628 R HA -0.188 4.150 4.340 -0.002 0.000 0.335 628 R C 0.415 176.738 176.300 0.038 0.000 1.223 628 R CA 1.153 57.271 56.100 0.030 0.000 0.962 628 R CB -1.122 29.197 30.300 0.032 0.000 1.393 628 R HN 0.439 nan 8.270 nan 0.000 0.554 629 G N 0.384 109.204 108.800 0.033 0.000 2.437 629 G HA2 0.444 4.403 3.960 -0.002 0.000 0.319 629 G HA3 0.444 4.403 3.960 -0.002 0.000 0.319 629 G C -0.685 174.247 174.900 0.053 0.000 1.158 629 G CA -0.414 44.715 45.100 0.049 0.000 0.899 629 G HN 0.100 nan 8.290 nan 0.000 0.502 630 Q N 2.031 121.875 119.800 0.075 0.000 2.290 630 Q HA 0.269 4.608 4.340 -0.002 0.000 0.269 630 Q C -0.942 175.063 176.000 0.008 0.000 1.016 630 Q CA -0.807 55.028 55.803 0.052 0.000 0.754 630 Q CB 1.829 30.615 28.738 0.081 0.000 1.247 630 Q HN 0.313 nan 8.270 nan 0.000 0.451 631 I N 3.215 123.776 120.570 -0.014 0.000 3.185 631 I HA -0.257 3.912 4.170 -0.002 0.000 0.300 631 I C 0.891 176.953 176.117 -0.092 0.000 1.245 631 I CA 1.029 62.300 61.300 -0.049 0.000 1.413 631 I CB 0.386 38.371 38.000 -0.024 0.000 1.324 631 I HN 0.878 nan 8.210 nan 0.000 0.588 632 L N 3.023 124.173 121.223 -0.122 0.000 3.227 632 L HA 0.483 4.822 4.340 -0.002 0.000 0.287 632 L C 0.507 177.326 176.870 -0.084 0.000 1.161 632 L CA 0.305 55.065 54.840 -0.135 0.000 1.048 632 L CB 0.461 42.365 42.059 -0.258 0.000 1.541 632 L HN 0.824 nan 8.230 nan 0.000 0.590 633 G N 1.146 109.911 108.800 -0.059 0.000 2.321 633 G HA2 0.422 4.381 3.960 -0.002 0.000 0.298 633 G HA3 0.422 4.381 3.960 -0.002 0.000 0.298 633 G C -1.572 173.320 174.900 -0.015 0.000 1.385 633 G CA -0.321 44.759 45.100 -0.032 0.000 0.856 633 G HN -0.100 nan 8.290 nan 0.000 0.584 634 M N 0.053 119.651 119.600 -0.004 0.000 2.302 634 M HA 0.471 4.949 4.480 -0.002 0.000 0.207 634 M C -1.556 174.750 176.300 0.010 0.000 1.016 634 M CA -0.671 54.634 55.300 0.008 0.000 0.941 634 M CB 0.950 33.558 32.600 0.014 0.000 2.701 634 M HN 0.326 nan 8.290 nan 0.000 0.377 635 E N 4.184 124.391 120.200 0.011 0.000 1.941 635 E HA 0.418 4.767 4.350 -0.002 0.000 0.275 635 E C -2.223 174.388 176.600 0.018 0.000 1.113 635 E CA -1.006 55.401 56.400 0.012 0.000 0.878 635 E CB 0.154 29.860 29.700 0.010 0.000 1.070 635 E HN 0.430 nan 8.360 nan 0.000 0.399 636 P HA -0.129 nan 4.420 nan 0.000 0.272 636 P C -0.356 176.959 177.300 0.026 0.000 1.210 636 P CA 0.281 63.394 63.100 0.023 0.000 0.789 636 P CB 0.633 32.345 31.700 0.019 0.000 0.849 637 R N 0.120 120.638 120.500 0.030 0.000 2.626 637 R HA 0.470 4.808 4.340 -0.002 0.000 0.274 637 R C 0.870 177.190 176.300 0.033 0.000 1.031 637 R CA 0.044 56.163 56.100 0.032 0.000 0.898 637 R CB 1.541 31.863 30.300 0.036 0.000 1.222 637 R HN 0.841 nan 8.270 nan 0.000 0.455 638 G N 3.128 111.947 108.800 0.031 0.000 2.648 638 G HA2 -0.458 3.500 3.960 -0.002 0.000 0.357 638 G HA3 -0.458 3.500 3.960 -0.002 0.000 0.357 638 G C 0.702 175.621 174.900 0.032 0.000 1.342 638 G CA 0.983 46.103 45.100 0.033 0.000 0.978 638 G HN 0.801 nan 8.290 nan 0.000 0.532 639 N N 1.750 120.472 118.700 0.037 0.000 2.467 639 N HA 0.349 5.088 4.740 -0.002 0.000 0.184 639 N C 1.064 176.598 175.510 0.040 0.000 1.106 639 N CA 1.418 54.489 53.050 0.034 0.000 0.892 639 N CB -0.155 38.355 38.487 0.038 0.000 0.969 639 N HN 1.048 nan 8.380 nan 0.000 0.454 640 A N 0.175 123.022 122.820 0.045 0.000 2.450 640 A HA 0.580 4.899 4.320 -0.002 0.000 0.281 640 A C -0.380 177.231 177.584 0.045 0.000 1.372 640 A CA -0.388 51.680 52.037 0.052 0.000 0.886 640 A CB 0.574 19.609 19.000 0.058 0.000 1.462 640 A HN 0.325 nan 8.150 nan 0.000 0.514 641 Q N -1.090 118.740 119.800 0.050 0.000 2.364 641 Q HA 0.501 4.839 4.340 -0.002 0.000 0.257 641 Q C -2.128 173.903 176.000 0.050 0.000 0.956 641 Q CA -0.400 55.429 55.803 0.044 0.000 0.924 641 Q CB 1.953 30.714 28.738 0.038 0.000 1.413 641 Q HN 0.581 nan 8.270 nan 0.000 0.418 642 V N 5.048 124.990 119.914 0.046 0.000 2.567 642 V HA 0.537 4.656 4.120 -0.002 0.000 0.289 642 V C -0.110 176.010 176.094 0.044 0.000 1.049 642 V CA -0.303 62.028 62.300 0.052 0.000 0.969 642 V CB 1.527 33.382 31.823 0.053 0.000 0.995 642 V HN 0.683 nan 8.190 nan 0.000 0.471 643 I N 4.857 125.457 120.570 0.051 0.000 2.466 643 I HA 0.543 4.711 4.170 -0.002 0.000 0.289 643 I C -0.343 175.792 176.117 0.030 0.000 1.026 643 I CA -0.688 60.633 61.300 0.035 0.000 1.078 643 I CB 1.965 39.990 38.000 0.042 0.000 1.249 643 I HN 0.561 nan 8.210 nan 0.000 0.429 644 R N 4.637 125.133 120.500 -0.007 0.000 2.664 644 R HA 0.952 5.290 4.340 -0.002 0.000 0.286 644 R C -0.819 175.412 176.300 -0.114 0.000 0.967 644 R CA -0.625 55.452 56.100 -0.039 0.000 0.933 644 R CB 2.214 32.478 30.300 -0.060 0.000 1.146 644 R HN 0.791 nan 8.270 nan 0.000 0.468 645 A N 1.134 123.846 122.820 -0.180 0.000 2.481 645 A HA 0.473 4.792 4.320 -0.002 0.000 0.295 645 A C -1.940 175.523 177.584 -0.202 0.000 0.986 645 A CA -0.899 50.977 52.037 -0.267 0.000 0.617 645 A CB 0.385 19.323 19.000 -0.104 0.000 1.364 645 A HN 0.375 nan 8.150 nan 0.000 0.452 646 F N -0.078 119.889 119.950 0.028 0.000 2.470 646 F HA 0.761 5.286 4.527 -0.002 0.000 0.329 646 F C 0.623 176.418 175.800 -0.008 0.000 1.072 646 F CA -0.291 57.723 58.000 0.024 0.000 0.989 646 F CB 2.087 41.124 39.000 0.062 0.000 1.193 646 F HN 0.969 nan 8.300 nan 0.000 0.481 647 V N -0.832 119.198 119.914 0.194 0.000 3.204 647 V HA 0.681 4.799 4.120 -0.002 0.000 0.298 647 V C -3.207 172.898 176.094 0.018 0.000 1.328 647 V CA -2.667 59.670 62.300 0.063 0.000 1.035 647 V CB 2.127 33.943 31.823 -0.012 0.000 1.095 647 V HN 0.443 nan 8.190 nan 0.000 0.442 648 P HA 0.558 nan 4.420 nan 0.000 0.292 648 P C 0.750 178.057 177.300 0.013 0.000 1.287 648 P CA -0.410 62.693 63.100 0.005 0.000 0.800 648 P CB 1.294 33.010 31.700 0.026 0.000 0.945 649 L N 1.954 123.185 121.223 0.013 0.000 2.261 649 L HA -0.231 4.107 4.340 -0.002 0.000 0.216 649 L C 2.199 179.096 176.870 0.046 0.000 1.114 649 L CA 1.691 56.550 54.840 0.031 0.000 0.777 649 L CB -0.717 41.359 42.059 0.028 0.000 0.910 649 L HN 0.432 nan 8.230 nan 0.000 0.440 650 A N -0.191 122.648 122.820 0.033 0.000 1.840 650 A HA -0.162 4.157 4.320 -0.002 0.000 0.214 650 A C 1.709 179.335 177.584 0.070 0.000 1.198 650 A CA 0.991 53.056 52.037 0.046 0.000 0.608 650 A CB -0.274 18.762 19.000 0.060 0.000 0.839 650 A HN 0.266 nan 8.150 nan 0.000 0.443 651 E N -1.004 119.229 120.200 0.055 0.000 2.261 651 E HA 0.362 4.710 4.350 -0.002 0.000 0.308 651 E C 0.096 176.711 176.600 0.025 0.000 1.400 651 E CA 0.136 56.565 56.400 0.049 0.000 1.542 651 E CB 0.071 29.792 29.700 0.035 0.000 1.369 651 E HN 0.423 nan 8.360 nan 0.000 0.493 652 M N 1.502 121.137 119.600 0.058 0.000 2.088 652 M HA 0.323 4.801 4.480 -0.002 0.000 0.410 652 M C -0.893 175.450 176.300 0.073 0.000 0.861 652 M CA -0.346 54.950 55.300 -0.007 0.000 1.102 652 M CB 0.317 32.906 32.600 -0.018 0.000 2.196 652 M HN 0.144 nan 8.290 nan 0.000 0.741 653 F N 1.972 121.938 119.950 0.027 0.000 2.496 653 F HA 0.483 5.009 4.527 -0.002 0.000 0.344 653 F C 1.421 177.274 175.800 0.088 0.000 1.155 653 F CA 1.605 59.641 58.000 0.059 0.000 1.302 653 F CB 0.670 39.695 39.000 0.042 0.000 1.159 653 F HN 0.415 nan 8.300 nan 0.000 0.595 654 G N 4.386 112.178 108.800 -1.681 0.000 2.356 654 G HA2 -0.394 3.565 3.960 -0.002 0.000 0.296 654 G HA3 -0.394 3.565 3.960 -0.002 0.000 0.296 654 G C 0.330 175.002 174.900 -0.379 0.000 1.022 654 G CA 0.686 45.010 45.100 -1.292 0.000 0.961 654 G HN 0.933 nan 8.290 nan 0.000 0.510 655 Y N 0.224 120.306 120.300 -0.364 0.000 2.314 655 Y HA 0.193 4.741 4.550 -0.002 0.000 0.293 655 Y C 2.638 178.334 175.900 -0.341 0.000 1.129 655 Y CA 1.461 59.352 58.100 -0.348 0.000 1.201 655 Y CB -0.513 37.659 38.460 -0.481 0.000 0.999 655 Y HN 0.544 nan 8.280 nan 0.000 0.541 656 A N -0.116 122.581 122.820 -0.205 0.000 1.877 656 A HA -0.327 3.991 4.320 -0.002 0.000 0.218 656 A C 1.973 179.405 177.584 -0.254 0.000 1.301 656 A CA 3.086 55.025 52.037 -0.163 0.000 0.699 656 A CB -1.639 17.347 19.000 -0.023 0.000 0.844 656 A HN 0.468 nan 8.150 nan 0.000 0.464 657 T N -1.983 112.461 114.554 -0.183 0.000 3.584 657 T HA 0.221 4.569 4.350 -0.002 0.000 0.252 657 T C 0.080 174.677 174.700 -0.172 0.000 1.103 657 T CA 0.958 62.967 62.100 -0.152 0.000 0.977 657 T CB -0.087 68.725 68.868 -0.093 0.000 1.044 657 T HN 0.434 nan 8.240 nan 0.000 0.589 658 D N -0.362 119.875 120.400 -0.272 0.000 2.504 658 D HA 0.185 4.824 4.640 -0.002 0.000 0.276 658 D C 1.653 177.732 176.300 -0.369 0.000 1.073 658 D CA -0.343 53.510 54.000 -0.245 0.000 0.905 658 D CB 0.112 40.817 40.800 -0.159 0.000 1.350 658 D HN 0.169 nan 8.370 nan 0.000 0.496 659 L N 1.031 121.878 121.223 -0.627 0.000 2.145 659 L HA 0.158 4.497 4.340 -0.002 0.000 0.201 659 L C 1.557 178.190 176.870 -0.394 0.000 1.075 659 L CA 1.267 55.720 54.840 -0.644 0.000 0.773 659 L CB -0.343 41.093 42.059 -1.038 0.000 0.936 659 L HN -0.100 nan 8.230 nan 0.000 0.451 660 R N -0.684 119.612 120.500 -0.339 0.000 2.377 660 R HA -0.055 4.284 4.340 -0.002 0.000 0.207 660 R C 2.031 178.191 176.300 -0.234 0.000 1.075 660 R CA 0.802 56.750 56.100 -0.254 0.000 1.035 660 R CB 0.050 30.236 30.300 -0.189 0.000 0.857 660 R HN 0.353 nan 8.270 nan 0.000 0.475 661 S N 0.370 115.934 115.700 -0.226 0.000 2.398 661 S HA 0.036 4.504 4.470 -0.002 0.000 0.220 661 S C 1.289 175.787 174.600 -0.170 0.000 1.046 661 S CA 0.493 58.593 58.200 -0.166 0.000 0.953 661 S CB 0.261 63.386 63.200 -0.125 0.000 0.856 661 S HN 0.158 nan 8.310 nan 0.000 0.506 662 K N 2.066 122.359 120.400 -0.178 0.000 2.589 662 K HA 0.062 4.381 4.320 -0.002 0.000 0.192 662 K C 1.156 177.592 176.600 -0.273 0.000 1.029 662 K CA 0.868 57.081 56.287 -0.124 0.000 1.031 662 K CB -0.353 32.103 32.500 -0.074 0.000 0.821 662 K HN 0.606 nan 8.250 nan 0.000 0.502 663 T N -3.445 110.790 114.554 -0.531 0.000 3.192 663 T HA 0.036 4.385 4.350 -0.002 0.000 0.295 663 T C 0.226 174.396 174.700 -0.883 0.000 0.947 663 T CA -0.394 61.009 62.100 -1.162 0.000 0.916 663 T CB 0.081 68.496 68.868 -0.755 0.000 1.169 663 T HN 0.207 nan 8.240 nan 0.000 0.540 664 Q N 0.558 120.089 119.800 -0.448 0.000 2.436 664 Q HA -0.276 4.062 4.340 -0.002 0.000 0.264 664 Q C 1.290 177.170 176.000 -0.200 0.000 1.093 664 Q CA 1.054 56.720 55.803 -0.229 0.000 0.994 664 Q CB -2.310 26.366 28.738 -0.103 0.000 1.434 664 Q HN 1.232 nan 8.270 nan 0.000 0.520 665 G N 0.017 108.678 108.800 -0.232 0.000 2.284 665 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.216 665 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.216 665 G C 0.459 175.287 174.900 -0.120 0.000 1.009 665 G CA -0.005 45.003 45.100 -0.154 0.000 0.625 665 G HN 0.332 nan 8.290 nan 0.000 0.501 666 R N 1.484 121.896 120.500 -0.145 0.000 2.514 666 R HA 0.364 4.703 4.340 -0.002 0.000 0.216 666 R C 0.985 177.234 176.300 -0.085 0.000 1.295 666 R CA 0.595 56.654 56.100 -0.068 0.000 1.246 666 R CB -0.293 30.012 30.300 0.008 0.000 1.057 666 R HN 0.496 nan 8.270 nan 0.000 0.490 667 G N 0.051 108.779 108.800 -0.119 0.000 2.643 667 G HA2 0.411 4.370 3.960 -0.002 0.000 0.305 667 G HA3 0.411 4.370 3.960 -0.002 0.000 0.305 667 G C -0.882 173.995 174.900 -0.039 0.000 1.387 667 G CA -0.445 44.598 45.100 -0.095 0.000 0.982 667 G HN 0.125 nan 8.290 nan 0.000 0.501 668 S N 0.484 116.205 115.700 0.036 0.000 2.548 668 S HA 0.862 5.330 4.470 -0.002 0.000 0.286 668 S C -0.842 173.908 174.600 0.250 0.000 1.098 668 S CA -0.871 57.402 58.200 0.121 0.000 0.930 668 S CB 1.895 65.142 63.200 0.078 0.000 1.070 668 S HN 1.502 nan 8.310 nan 0.000 0.480 669 F N 0.324 120.272 119.950 -0.003 0.000 2.692 669 F HA 0.908 5.434 4.527 -0.002 0.000 0.320 669 F C -0.912 174.879 175.800 -0.015 0.000 1.123 669 F CA -1.340 56.680 58.000 0.034 0.000 0.961 669 F CB 0.552 39.640 39.000 0.148 0.000 1.383 669 F HN 0.693 nan 8.300 nan 0.000 0.483 670 V N -0.260 119.513 119.914 -0.236 0.000 3.139 670 V HA 0.823 4.942 4.120 -0.002 0.000 0.310 670 V C -0.975 174.783 176.094 -0.560 0.000 1.260 670 V CA -1.086 60.886 62.300 -0.546 0.000 1.064 670 V CB 1.843 33.419 31.823 -0.413 0.000 1.160 670 V HN 1.198 nan 8.190 nan 0.000 0.470 671 M N 0.821 119.943 119.600 -0.797 0.000 2.389 671 M HA 0.683 5.162 4.480 -0.002 0.000 0.291 671 M C -2.640 173.243 176.300 -0.696 0.000 1.128 671 M CA -0.075 54.924 55.300 -0.502 0.000 0.942 671 M CB 2.044 34.484 32.600 -0.267 0.000 1.783 671 M HN 0.745 nan 8.290 nan 0.000 0.501 672 F N 2.515 122.507 119.950 0.071 0.000 2.613 672 F HA 0.587 5.113 4.527 -0.002 0.000 0.310 672 F C -0.709 175.171 175.800 0.133 0.000 1.085 672 F CA -0.731 57.326 58.000 0.095 0.000 0.945 672 F CB 1.514 40.564 39.000 0.084 0.000 1.298 672 F HN 0.474 nan 8.300 nan 0.000 0.455 673 F N 1.588 121.669 119.950 0.219 0.000 2.375 673 F HA 0.341 4.867 4.527 -0.002 0.000 0.313 673 F C 0.488 176.332 175.800 0.075 0.000 1.176 673 F CA 0.379 58.421 58.000 0.070 0.000 1.142 673 F CB 0.701 39.701 39.000 0.000 0.000 1.275 673 F HN 0.617 nan 8.300 nan 0.000 0.544 674 D N -1.084 118.656 120.400 -1.100 0.000 2.614 674 D HA 0.024 4.663 4.640 -0.002 0.000 0.129 674 D C -0.767 175.040 176.300 -0.822 0.000 1.441 674 D CA 0.207 53.833 54.000 -0.624 0.000 1.519 674 D CB 0.290 40.921 40.800 -0.282 0.000 1.929 674 D HN 0.630 nan 8.370 nan 0.000 0.204 675 H N -1.307 117.188 119.070 -0.957 0.000 2.949 675 H HA 0.507 5.062 4.556 -0.002 0.000 0.310 675 H C -1.446 173.549 175.328 -0.555 0.000 1.405 675 H CA -0.515 55.160 56.048 -0.621 0.000 1.253 675 H CB 0.109 29.663 29.762 -0.347 0.000 1.932 675 H HN 0.106 nan 8.280 nan 0.000 0.602 676 Y N 0.029 120.204 120.300 -0.208 0.000 2.487 676 Y HA 0.401 4.950 4.550 -0.002 0.000 0.337 676 Y C 0.079 175.874 175.900 -0.176 0.000 1.076 676 Y CA -0.460 57.547 58.100 -0.155 0.000 1.115 676 Y CB 2.040 40.532 38.460 0.054 0.000 1.235 676 Y HN 0.731 nan 8.280 nan 0.000 0.468 677 Q N 0.889 120.724 119.800 0.059 0.000 2.403 677 Q HA 0.289 4.627 4.340 -0.002 0.000 0.267 677 Q C -1.238 174.793 176.000 0.053 0.000 0.991 677 Q CA -1.089 54.729 55.803 0.024 0.000 0.906 677 Q CB 1.854 30.548 28.738 -0.072 0.000 1.422 677 Q HN 0.742 nan 8.270 nan 0.000 0.400 678 E N 1.233 121.462 120.200 0.048 0.000 2.739 678 E HA -0.008 4.340 4.350 -0.002 0.000 0.278 678 E C -0.418 176.199 176.600 0.028 0.000 0.978 678 E CA 0.457 56.876 56.400 0.032 0.000 0.978 678 E CB 0.627 30.342 29.700 0.025 0.000 0.982 678 E HN 0.486 nan 8.360 nan 0.000 0.469 679 V N 1.439 121.359 119.914 0.011 0.000 2.539 679 V HA 0.331 4.450 4.120 -0.002 0.000 0.292 679 V C -2.071 174.022 176.094 -0.001 0.000 1.045 679 V CA -1.936 60.368 62.300 0.007 0.000 0.945 679 V CB 1.282 33.090 31.823 -0.026 0.000 0.993 679 V HN 0.644 nan 8.190 nan 0.000 0.464 680 P HA -0.036 nan 4.420 nan 0.000 0.296 680 P C 1.104 178.402 177.300 -0.004 0.000 1.447 680 P CA 0.693 63.796 63.100 0.005 0.000 0.750 680 P CB -0.291 31.416 31.700 0.012 0.000 1.451 681 K N 0.670 121.062 120.400 -0.014 0.000 6.581 681 K HA -0.376 3.942 4.320 -0.002 0.000 0.456 681 K C 1.503 178.090 176.600 -0.021 0.000 0.402 681 K CA 2.522 58.797 56.287 -0.020 0.000 1.893 681 K CB -1.640 30.853 32.500 -0.012 0.000 0.843 681 K HN 0.433 nan 8.250 nan 0.000 0.751 682 Q N 0.460 120.252 119.800 -0.013 0.000 2.181 682 Q HA -0.086 4.253 4.340 -0.002 0.000 0.205 682 Q C 1.739 177.727 176.000 -0.019 0.000 0.980 682 Q CA 2.147 57.943 55.803 -0.012 0.000 0.862 682 Q CB -0.168 28.568 28.738 -0.004 0.000 0.905 682 Q HN 0.364 nan 8.270 nan 0.000 0.429 683 V N 0.223 120.123 119.914 -0.022 0.000 3.647 683 V HA -0.038 4.080 4.120 -0.002 0.000 0.279 683 V C 1.777 177.830 176.094 -0.070 0.000 1.314 683 V CA 0.747 63.027 62.300 -0.033 0.000 1.125 683 V CB 0.149 31.965 31.823 -0.012 0.000 0.907 683 V HN 0.211 nan 8.190 nan 0.000 0.434 684 Q N 1.355 121.117 119.800 -0.063 0.000 2.036 684 Q HA -0.096 4.242 4.340 -0.002 0.000 0.195 684 Q C 2.056 178.006 176.000 -0.083 0.000 0.971 684 Q CA 1.703 57.456 55.803 -0.083 0.000 0.826 684 Q CB -0.028 28.672 28.738 -0.063 0.000 0.896 684 Q HN 0.618 nan 8.270 nan 0.000 0.449 685 E N 0.077 120.242 120.200 -0.059 0.000 2.347 685 E HA -0.113 4.236 4.350 -0.002 0.000 0.196 685 E C 1.474 178.042 176.600 -0.054 0.000 1.008 685 E CA 0.398 56.766 56.400 -0.053 0.000 0.852 685 E CB 0.052 29.730 29.700 -0.037 0.000 0.783 685 E HN 0.081 nan 8.360 nan 0.000 0.505 686 K N 1.137 121.504 120.400 -0.054 0.000 2.002 686 K HA -0.118 4.201 4.320 -0.002 0.000 0.209 686 K C 1.820 178.381 176.600 -0.066 0.000 1.048 686 K CA 1.236 57.495 56.287 -0.048 0.000 0.930 686 K CB -0.377 32.100 32.500 -0.037 0.000 0.714 686 K HN 0.242 nan 8.250 nan 0.000 0.438 687 L N 0.908 122.068 121.223 -0.104 0.000 2.275 687 L HA -0.093 4.246 4.340 -0.002 0.000 0.215 687 L C 0.578 177.371 176.870 -0.128 0.000 1.119 687 L CA 0.067 54.819 54.840 -0.146 0.000 0.790 687 L CB -0.120 41.769 42.059 -0.283 0.000 0.919 687 L HN 0.045 nan 8.230 nan 0.000 0.443 688 I N 1.004 121.513 120.570 -0.102 0.000 2.293 688 I HA 0.039 4.208 4.170 -0.002 0.000 0.299 688 I C 0.296 176.376 176.117 -0.062 0.000 1.153 688 I CA 0.638 61.889 61.300 -0.083 0.000 1.302 688 I CB -0.100 37.859 38.000 -0.068 0.000 1.460 688 I HN -0.015 nan 8.210 nan 0.000 0.552 689 K N 0.000 120.364 120.400 -0.059 0.000 2.780 689 K HA 0.000 4.319 4.320 -0.002 0.000 0.191 689 K CA 0.000 56.261 56.287 -0.044 0.000 0.838 689 K CB 0.000 32.475 32.500 -0.041 0.000 1.064 689 K HN 0.000 nan 8.250 nan 0.000 0.543