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 2yxv_1_B DATA FIRST_RESID 30 DATA SEQUENCE ERPTLPIPDL LTTDARNRIQ LTIGAGQSTF GGKTATTWGY NGNLLGPAVK DATA SEQUENCE LQRGKAVTVD IYNQLTEETT LHWHGLEVPG EVDGGPQGII PPGGKRSVTL DATA SEQUENCE NVDQPAATCW FHPHQHGKTG RQVAMGLAGL VVIEDDEILK LMLPKQWGID DATA SEQUENCE DVPVIVQDKK FSADGQIDYQ LDVMTAAVGW FGDTLLTNGA IYPQHAAPRG DATA SEQUENCE WLRLRLLNGC NARSLNFATS DNRPLYVIAS DGGLLPEPVK VSELPVLMGE DATA SEQUENCE RFEVLVEVND NKPFDLVTLP VSQMGMAIAP FDKPHPVMRI QPIAISASGA DATA SEQUENCE LPDTLSSLPA LPSLEGLTVR KLQLSMDGXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXGANK INGQAFDMNK PMFAAAKGQY DATA SEQUENCE ERWVISGVGD MMLHPFHIHG TQFRILSENG KPPAAHRAGW KDTVKVEGNV DATA SEQUENCE SEVLVKFNHD APKEHAYMAH CHLLEHEDTG MMLGFTVG 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 30 E HA 0.000 nan 4.350 nan 0.000 0.291 30 E C 0.000 176.581 176.600 -0.031 0.000 1.382 30 E CA 0.000 56.390 56.400 -0.017 0.000 0.976 30 E CB 0.000 29.701 29.700 0.002 0.000 0.812 31 R N 3.175 123.636 120.500 -0.065 0.000 2.489 31 R HA 0.353 4.694 4.340 0.001 0.000 0.287 31 R C -2.046 174.194 176.300 -0.101 0.000 1.053 31 R CA -1.803 54.226 56.100 -0.119 0.000 1.036 31 R CB -0.325 29.801 30.300 -0.290 0.000 0.966 31 R HN 0.350 nan 8.270 nan 0.000 0.432 32 P HA 0.025 nan 4.420 nan 0.000 0.272 32 P C -0.307 176.953 177.300 -0.066 0.000 1.230 32 P CA -0.297 62.772 63.100 -0.052 0.000 0.788 32 P CB 0.324 32.010 31.700 -0.024 0.000 0.949 33 T N -0.389 114.137 114.554 -0.047 0.000 2.919 33 T HA 0.168 4.518 4.350 0.001 0.000 0.302 33 T C 0.457 175.147 174.700 -0.016 0.000 1.031 33 T CA -0.847 61.230 62.100 -0.039 0.000 1.127 33 T CB 0.109 68.961 68.868 -0.027 0.000 0.952 33 T HN 0.306 nan 8.240 nan 0.000 0.540 34 L N 4.862 126.086 121.223 0.001 0.000 2.615 34 L HA 0.305 4.645 4.340 0.001 0.000 0.271 34 L C -2.321 174.555 176.870 0.009 0.000 1.183 34 L CA -1.317 53.526 54.840 0.005 0.000 0.933 34 L CB -0.456 41.606 42.059 0.004 0.000 1.199 34 L HN 0.515 nan 8.230 nan 0.000 0.487 35 P HA 0.157 nan 4.420 nan 0.000 0.268 35 P C -0.987 176.316 177.300 0.004 0.000 1.205 35 P CA 0.041 63.155 63.100 0.022 0.000 0.771 35 P CB 0.471 32.195 31.700 0.041 0.000 0.858 36 I N 4.463 125.045 120.570 0.019 0.000 2.355 36 I HA 0.287 4.457 4.170 0.001 0.000 0.288 36 I C -2.136 174.062 176.117 0.136 0.000 0.999 36 I CA -3.096 58.202 61.300 -0.003 0.000 1.163 36 I CB 0.722 38.687 38.000 -0.059 0.000 1.316 36 I HN 0.149 nan 8.210 nan 0.000 0.454 37 P HA 0.067 nan 4.420 nan 0.000 0.265 37 P C -0.559 176.996 177.300 0.424 0.000 1.193 37 P CA -0.086 63.188 63.100 0.290 0.000 0.765 37 P CB 0.453 32.343 31.700 0.317 0.000 0.823 38 D N 1.592 122.162 120.400 0.284 0.000 2.488 38 D HA 0.015 4.655 4.640 0.001 0.000 0.238 38 D C 0.014 176.392 176.300 0.129 0.000 1.138 38 D CA 0.183 54.317 54.000 0.224 0.000 0.873 38 D CB 0.202 41.087 40.800 0.141 0.000 1.183 38 D HN 0.149 nan 8.370 nan 0.000 0.458 39 L N 4.195 125.374 121.223 -0.073 0.000 2.312 39 L HA 0.220 4.561 4.340 0.001 0.000 0.287 39 L C -1.081 175.673 176.870 -0.194 0.000 1.091 39 L CA -0.537 54.053 54.840 -0.417 0.000 0.846 39 L CB 0.429 41.910 42.059 -0.964 0.000 1.219 39 L HN 0.222 nan 8.230 nan 0.000 0.439 40 L N 5.934 127.090 121.223 -0.111 0.000 2.257 40 L HA 0.623 4.964 4.340 0.001 0.000 0.290 40 L C 0.187 177.016 176.870 -0.068 0.000 1.044 40 L CA 0.225 55.039 54.840 -0.043 0.000 0.810 40 L CB 1.053 43.127 42.059 0.025 0.000 1.193 40 L HN 0.796 nan 8.230 nan 0.000 0.425 41 T N 0.414 114.931 114.554 -0.062 0.000 2.949 41 T HA 0.652 5.003 4.350 0.001 0.000 0.287 41 T C 0.272 174.944 174.700 -0.048 0.000 1.034 41 T CA -0.229 61.831 62.100 -0.066 0.000 1.018 41 T CB 1.018 69.846 68.868 -0.068 0.000 1.135 41 T HN 0.748 nan 8.240 nan 0.000 0.532 42 T N 0.131 114.653 114.554 -0.054 0.000 2.856 42 T HA 0.350 4.701 4.350 0.001 0.000 0.306 42 T C 0.096 174.776 174.700 -0.033 0.000 1.062 42 T CA -0.607 61.465 62.100 -0.047 0.000 1.083 42 T CB -0.023 68.811 68.868 -0.057 0.000 0.984 42 T HN 0.843 nan 8.240 nan 0.000 0.542 43 D N 0.860 121.245 120.400 -0.025 0.000 2.440 43 D HA 0.422 5.063 4.640 0.001 0.000 0.269 43 D C 1.432 177.719 176.300 -0.021 0.000 1.249 43 D CA -0.433 53.556 54.000 -0.018 0.000 1.055 43 D CB -0.106 40.688 40.800 -0.010 0.000 1.104 43 D HN 0.591 nan 8.370 nan 0.000 0.561 44 A N -0.978 121.832 122.820 -0.017 0.000 2.172 44 A HA -0.087 4.234 4.320 0.001 0.000 0.216 44 A C 1.817 179.389 177.584 -0.020 0.000 1.154 44 A CA 0.729 52.755 52.037 -0.018 0.000 0.701 44 A CB -0.575 18.417 19.000 -0.013 0.000 0.789 44 A HN 0.461 nan 8.150 nan 0.000 0.465 45 R N -1.318 119.171 120.500 -0.019 0.000 2.427 45 R HA 0.097 4.438 4.340 0.001 0.000 0.262 45 R C 0.278 176.559 176.300 -0.031 0.000 0.943 45 R CA 0.308 56.395 56.100 -0.022 0.000 1.081 45 R CB -0.118 30.172 30.300 -0.016 0.000 1.166 45 R HN 0.528 nan 8.270 nan 0.000 0.534 46 N N 1.053 119.731 118.700 -0.036 0.000 2.776 46 N HA -0.183 4.558 4.740 0.001 0.000 0.250 46 N C -1.189 174.287 175.510 -0.056 0.000 1.112 46 N CA 0.784 53.805 53.050 -0.049 0.000 0.733 46 N CB -0.385 38.069 38.487 -0.055 0.000 1.097 46 N HN 0.232 nan 8.380 nan 0.000 0.558 47 R N -0.180 120.295 120.500 -0.041 0.000 2.832 47 R HA 0.750 5.090 4.340 0.001 0.000 0.271 47 R C -0.253 176.032 176.300 -0.026 0.000 0.996 47 R CA -0.824 55.254 56.100 -0.036 0.000 0.977 47 R CB 1.466 31.757 30.300 -0.014 0.000 1.168 47 R HN 0.132 nan 8.270 nan 0.000 0.482 48 I N 0.700 121.258 120.570 -0.020 0.000 2.730 48 I HA 0.221 4.391 4.170 0.001 0.000 0.298 48 I C -0.653 175.492 176.117 0.047 0.000 1.089 48 I CA -0.753 60.548 61.300 0.002 0.000 1.041 48 I CB 2.600 40.586 38.000 -0.023 0.000 1.235 48 I HN 0.424 nan 8.210 nan 0.000 0.423 49 Q N 6.090 125.937 119.800 0.079 0.000 2.293 49 Q HA 0.664 5.005 4.340 0.001 0.000 0.261 49 Q C -1.951 174.137 176.000 0.148 0.000 0.960 49 Q CA -0.648 55.246 55.803 0.153 0.000 0.882 49 Q CB 1.741 30.555 28.738 0.125 0.000 1.275 49 Q HN 0.594 nan 8.270 nan 0.000 0.445 50 L N 3.599 124.944 121.223 0.203 0.000 2.376 50 L HA 0.470 4.811 4.340 0.001 0.000 0.275 50 L C -0.371 176.674 176.870 0.292 0.000 0.987 50 L CA -0.791 54.170 54.840 0.202 0.000 0.828 50 L CB 2.115 44.230 42.059 0.095 0.000 1.249 50 L HN 0.738 nan 8.230 nan 0.000 0.409 51 T N 0.994 115.699 114.554 0.252 0.000 2.794 51 T HA 0.691 5.041 4.350 0.001 0.000 0.280 51 T C -0.316 174.516 174.700 0.220 0.000 0.987 51 T CA -0.578 61.652 62.100 0.217 0.000 0.993 51 T CB 1.285 70.206 68.868 0.088 0.000 0.939 51 T HN 0.324 nan 8.240 nan 0.000 0.449 52 I N 2.740 123.409 120.570 0.165 0.000 2.330 52 I HA 0.682 4.852 4.170 0.001 0.000 0.289 52 I C 0.732 176.798 176.117 -0.085 0.000 1.001 52 I CA -0.609 60.718 61.300 0.046 0.000 1.193 52 I CB 1.206 39.241 38.000 0.057 0.000 1.345 52 I HN 0.990 nan 8.210 nan 0.000 0.461 53 G N 3.926 112.643 108.800 -0.138 0.000 2.677 53 G HA2 0.706 4.667 3.960 0.001 0.000 0.291 53 G HA3 0.706 4.667 3.960 0.001 0.000 0.291 53 G C -1.731 173.060 174.900 -0.181 0.000 1.435 53 G CA -0.679 44.314 45.100 -0.179 0.000 0.826 53 G HN 0.708 nan 8.290 nan 0.000 0.491 54 A N -0.664 122.041 122.820 -0.192 0.000 2.309 54 A HA 0.934 5.254 4.320 0.001 0.000 0.298 54 A C 0.699 178.327 177.584 0.072 0.000 1.165 54 A CA 0.465 52.502 52.037 -0.000 0.000 0.821 54 A CB 1.088 20.090 19.000 0.003 0.000 1.102 54 A HN 1.891 nan 8.150 nan 0.000 0.500 55 G N 0.297 109.182 108.800 0.142 0.000 3.085 55 G HA2 0.593 4.554 3.960 0.001 0.000 0.264 55 G HA3 0.593 4.554 3.960 0.001 0.000 0.264 55 G C -1.202 173.769 174.900 0.118 0.000 1.206 55 G CA -0.367 44.793 45.100 0.100 0.000 0.809 55 G HN 0.691 nan 8.290 nan 0.000 0.592 56 Q N -0.562 119.285 119.800 0.079 0.000 2.397 56 Q HA 0.675 5.015 4.340 0.001 0.000 0.275 56 Q C -1.284 174.724 176.000 0.014 0.000 1.090 56 Q CA -0.583 55.260 55.803 0.065 0.000 0.809 56 Q CB 2.449 31.212 28.738 0.042 0.000 1.362 56 Q HN 0.449 nan 8.270 nan 0.000 0.431 57 S N 0.020 115.700 115.700 -0.032 0.000 2.667 57 S HA 0.671 5.142 4.470 0.001 0.000 0.292 57 S C -0.943 173.420 174.600 -0.395 0.000 1.126 57 S CA -0.597 57.455 58.200 -0.247 0.000 0.881 57 S CB 2.087 65.070 63.200 -0.362 0.000 1.132 57 S HN 0.493 nan 8.310 nan 0.000 0.492 58 T N 2.144 116.347 114.554 -0.584 0.000 2.812 58 T HA 0.644 4.995 4.350 0.001 0.000 0.282 58 T C -1.480 172.823 174.700 -0.661 0.000 0.990 58 T CA -0.235 61.593 62.100 -0.453 0.000 0.960 58 T CB 0.139 68.875 68.868 -0.220 0.000 0.948 58 T HN 0.358 nan 8.240 nan 0.000 0.438 59 F N 1.005 120.880 119.950 -0.125 0.000 2.507 59 F HA 0.559 5.087 4.527 0.002 0.000 0.328 59 F C 1.141 176.821 175.800 -0.201 0.000 1.136 59 F CA -0.920 56.966 58.000 -0.190 0.000 0.930 59 F CB 1.624 40.366 39.000 -0.430 0.000 1.166 59 F HN 0.813 nan 8.300 nan 0.000 0.436 60 G N 1.689 110.512 108.800 0.037 0.000 2.356 60 G HA2 0.067 4.028 3.960 0.001 0.000 0.296 60 G HA3 0.067 4.028 3.960 0.001 0.000 0.296 60 G C 1.140 176.028 174.900 -0.020 0.000 1.022 60 G CA 0.683 45.785 45.100 0.003 0.000 0.961 60 G HN 1.931 nan 8.290 nan 0.000 0.510 61 G N -1.655 107.127 108.800 -0.030 0.000 2.168 61 G HA2 -0.291 3.670 3.960 0.001 0.000 0.263 61 G HA3 -0.291 3.670 3.960 0.001 0.000 0.263 61 G C 0.277 175.157 174.900 -0.035 0.000 0.977 61 G CA 1.195 46.275 45.100 -0.033 0.000 0.659 61 G HN 1.059 nan 8.290 nan 0.000 0.533 62 K N 1.429 121.804 120.400 -0.042 0.000 2.323 62 K HA 0.526 4.847 4.320 0.001 0.000 0.259 62 K C 0.594 177.183 176.600 -0.018 0.000 0.947 62 K CA -0.025 56.246 56.287 -0.027 0.000 0.819 62 K CB 1.465 33.944 32.500 -0.036 0.000 1.109 62 K HN 0.287 nan 8.250 nan 0.000 0.429 63 T N -0.437 114.117 114.554 -0.000 0.000 2.913 63 T HA 0.574 4.925 4.350 0.001 0.000 0.297 63 T C -0.014 174.744 174.700 0.097 0.000 1.029 63 T CA -0.818 61.291 62.100 0.015 0.000 1.104 63 T CB 1.304 70.180 68.868 0.013 0.000 0.964 63 T HN 0.552 nan 8.240 nan 0.000 0.532 64 A N 2.231 125.144 122.820 0.154 0.000 2.486 64 A HA 0.648 4.969 4.320 0.001 0.000 0.300 64 A C 0.207 177.921 177.584 0.215 0.000 1.048 64 A CA -1.008 51.183 52.037 0.257 0.000 0.696 64 A CB 1.258 20.561 19.000 0.506 0.000 1.278 64 A HN 0.853 nan 8.150 nan 0.000 0.405 65 T N 2.862 117.526 114.554 0.183 0.000 2.867 65 T HA 0.459 4.810 4.350 0.001 0.000 0.297 65 T C 0.582 175.393 174.700 0.185 0.000 0.989 65 T CA 1.094 63.299 62.100 0.175 0.000 1.159 65 T CB -0.223 68.741 68.868 0.161 0.000 0.928 65 T HN 1.021 nan 8.240 nan 0.000 0.538 66 T N 0.300 114.986 114.554 0.221 0.000 2.901 66 T HA 0.691 5.041 4.350 0.001 0.000 0.293 66 T C -1.493 173.430 174.700 0.372 0.000 1.084 66 T CA -1.091 61.132 62.100 0.205 0.000 1.008 66 T CB 1.339 70.362 68.868 0.257 0.000 1.170 66 T HN 0.467 nan 8.240 nan 0.000 0.509 67 W N 0.124 121.427 121.300 0.005 0.000 2.666 67 W HA 0.802 5.463 4.660 0.002 0.000 0.334 67 W C 0.327 176.790 176.519 -0.094 0.000 1.051 67 W CA -1.056 56.252 57.345 -0.061 0.000 1.224 67 W CB 1.844 31.234 29.460 -0.116 0.000 1.405 67 W HN 1.242 nan 8.180 nan 0.000 0.513 68 G N 0.782 109.634 108.800 0.087 0.000 2.692 68 G HA2 0.595 4.556 3.960 0.001 0.000 0.291 68 G HA3 0.595 4.556 3.960 0.001 0.000 0.291 68 G C -2.530 172.304 174.900 -0.109 0.000 1.423 68 G CA -0.801 44.289 45.100 -0.018 0.000 0.843 68 G HN 0.145 nan 8.290 nan 0.000 0.486 69 Y N 0.908 121.308 120.300 0.166 0.000 2.341 69 Y HA 0.300 4.850 4.550 0.001 0.000 0.340 69 Y C 0.829 176.827 175.900 0.162 0.000 0.997 69 Y CA -0.895 57.316 58.100 0.186 0.000 1.149 69 Y CB 1.265 39.902 38.460 0.296 0.000 1.171 69 Y HN 0.511 nan 8.280 nan 0.000 0.494 70 N N 1.703 120.566 118.700 0.271 0.000 2.714 70 N HA -0.161 4.580 4.740 0.001 0.000 0.252 70 N C -0.066 175.530 175.510 0.144 0.000 1.014 70 N CA 1.356 54.514 53.050 0.179 0.000 0.735 70 N CB -0.930 37.669 38.487 0.187 0.000 0.924 70 N HN 1.110 nan 8.380 nan 0.000 0.540 71 G N -1.340 107.532 108.800 0.119 0.000 2.343 71 G HA2 0.051 4.012 3.960 0.001 0.000 0.289 71 G HA3 0.051 4.012 3.960 0.001 0.000 0.289 71 G C 0.206 175.160 174.900 0.090 0.000 1.295 71 G CA -0.302 44.856 45.100 0.097 0.000 0.869 71 G HN 0.056 nan 8.290 nan 0.000 0.522 72 N N -1.031 117.721 118.700 0.086 0.000 2.409 72 N HA 0.101 4.842 4.740 0.001 0.000 0.179 72 N C 0.284 175.871 175.510 0.128 0.000 1.032 72 N CA 1.069 54.176 53.050 0.095 0.000 0.898 72 N CB 0.484 39.013 38.487 0.070 0.000 0.971 72 N HN 0.499 nan 8.380 nan 0.000 0.441 73 L N -0.096 121.202 121.223 0.126 0.000 2.545 73 L HA 0.266 4.607 4.340 0.001 0.000 0.258 73 L C -0.194 176.763 176.870 0.145 0.000 0.942 73 L CA -0.402 54.529 54.840 0.150 0.000 0.855 73 L CB 1.205 43.372 42.059 0.180 0.000 1.374 73 L HN -0.020 nan 8.230 nan 0.000 0.411 74 L N 1.819 123.127 121.223 0.142 0.000 6.519 74 L HA -0.079 4.261 4.340 0.001 0.000 0.053 74 L C 0.628 177.631 176.870 0.221 0.000 1.992 74 L CA 1.463 56.399 54.840 0.159 0.000 1.661 74 L CB -1.755 40.393 42.059 0.148 0.000 2.744 74 L HN 1.102 nan 8.230 nan 0.000 1.041 75 G N -2.113 106.822 108.800 0.226 0.000 2.349 75 G HA2 0.536 4.496 3.960 0.001 0.000 0.294 75 G HA3 0.536 4.496 3.960 0.001 0.000 0.294 75 G C -3.179 171.873 174.900 0.253 0.000 1.380 75 G CA -0.067 45.218 45.100 0.308 0.000 0.811 75 G HN 0.466 nan 8.290 nan 0.000 0.519 76 P HA 0.528 nan 4.420 nan 0.000 0.279 76 P C -0.462 177.018 177.300 0.301 0.000 1.282 76 P CA -0.130 63.135 63.100 0.275 0.000 0.788 76 P CB 1.324 33.172 31.700 0.246 0.000 1.139 77 A N 0.900 123.863 122.820 0.238 0.000 2.280 77 A HA 0.406 4.726 4.320 0.001 0.000 0.320 77 A C -0.075 177.560 177.584 0.086 0.000 1.366 77 A CA -0.648 51.501 52.037 0.188 0.000 0.938 77 A CB -0.321 18.737 19.000 0.098 0.000 1.157 77 A HN 0.291 nan 8.150 nan 0.000 0.536 78 V N 3.593 123.630 119.914 0.206 0.000 2.470 78 V HA 0.088 4.209 4.120 0.001 0.000 0.276 78 V C 0.713 176.801 176.094 -0.008 0.000 1.040 78 V CA 0.093 62.448 62.300 0.090 0.000 1.008 78 V CB 0.769 32.669 31.823 0.127 0.000 0.990 78 V HN 0.841 nan 8.190 nan 0.000 0.477 79 K N 5.758 126.106 120.400 -0.087 0.000 2.227 79 K HA 0.630 4.950 4.320 0.001 0.000 0.280 79 K C -1.033 175.502 176.600 -0.108 0.000 1.041 79 K CA -0.439 55.777 56.287 -0.119 0.000 0.905 79 K CB 0.628 33.032 32.500 -0.159 0.000 1.068 79 K HN 0.592 nan 8.250 nan 0.000 0.470 80 L N 3.031 124.193 121.223 -0.101 0.000 2.301 80 L HA 0.470 4.811 4.340 0.001 0.000 0.264 80 L C -0.675 176.139 176.870 -0.093 0.000 1.016 80 L CA -1.109 53.661 54.840 -0.116 0.000 0.821 80 L CB 2.301 44.274 42.059 -0.143 0.000 1.346 80 L HN 0.604 nan 8.230 nan 0.000 0.429 81 Q N 0.891 120.635 119.800 -0.094 0.000 2.323 81 Q HA 0.408 4.749 4.340 0.001 0.000 0.271 81 Q C -1.065 174.890 176.000 -0.075 0.000 1.048 81 Q CA -0.850 54.908 55.803 -0.074 0.000 0.792 81 Q CB 3.156 31.854 28.738 -0.066 0.000 1.280 81 Q HN 0.381 nan 8.270 nan 0.000 0.441 82 R N 0.592 121.054 120.500 -0.063 0.000 2.538 82 R HA 0.185 4.526 4.340 0.001 0.000 0.282 82 R C 0.734 177.000 176.300 -0.056 0.000 1.009 82 R CA 1.781 57.843 56.100 -0.062 0.000 1.063 82 R CB -0.100 30.167 30.300 -0.055 0.000 0.945 82 R HN 0.959 nan 8.270 nan 0.000 0.414 83 G N 2.701 111.466 108.800 -0.058 0.000 2.176 83 G HA2 -0.275 3.685 3.960 0.001 0.000 0.253 83 G HA3 -0.275 3.685 3.960 0.001 0.000 0.253 83 G C -0.298 174.568 174.900 -0.056 0.000 0.979 83 G CA 0.473 45.543 45.100 -0.050 0.000 0.641 83 G HN 0.572 nan 8.290 nan 0.000 0.530 84 K N -0.381 119.976 120.400 -0.071 0.000 2.400 84 K HA 0.820 5.141 4.320 0.001 0.000 0.246 84 K C -0.291 176.246 176.600 -0.105 0.000 0.995 84 K CA -0.272 55.967 56.287 -0.079 0.000 0.840 84 K CB 2.261 34.717 32.500 -0.073 0.000 1.293 84 K HN 0.598 nan 8.250 nan 0.000 0.445 85 A N 1.016 123.771 122.820 -0.108 0.000 2.355 85 A HA 0.709 5.030 4.320 0.001 0.000 0.324 85 A C -1.093 176.406 177.584 -0.142 0.000 1.117 85 A CA -0.645 51.310 52.037 -0.135 0.000 0.785 85 A CB 1.280 20.208 19.000 -0.120 0.000 1.254 85 A HN 0.321 nan 8.150 nan 0.000 0.453 86 V N 1.161 120.964 119.914 -0.185 0.000 2.656 86 V HA 0.538 4.659 4.120 0.001 0.000 0.307 86 V C -0.057 175.921 176.094 -0.194 0.000 1.051 86 V CA -0.444 61.747 62.300 -0.181 0.000 0.893 86 V CB 2.176 33.871 31.823 -0.214 0.000 0.999 86 V HN 0.939 nan 8.190 nan 0.000 0.426 87 T N 3.912 118.380 114.554 -0.142 0.000 2.767 87 T HA 0.558 4.909 4.350 0.001 0.000 0.284 87 T C -0.357 174.279 174.700 -0.107 0.000 0.973 87 T CA -0.302 61.722 62.100 -0.127 0.000 0.996 87 T CB 1.345 70.159 68.868 -0.091 0.000 0.927 87 T HN 0.386 nan 8.240 nan 0.000 0.456 88 V N 4.049 123.900 119.914 -0.106 0.000 2.384 88 V HA 0.330 4.450 4.120 0.001 0.000 0.287 88 V C -0.315 175.762 176.094 -0.028 0.000 1.020 88 V CA -1.028 61.242 62.300 -0.049 0.000 0.850 88 V CB 1.552 33.370 31.823 -0.008 0.000 0.987 88 V HN 0.798 nan 8.190 nan 0.000 0.436 89 D N 5.391 125.792 120.400 0.002 0.000 2.313 89 D HA 0.511 5.152 4.640 0.001 0.000 0.239 89 D C -0.295 175.973 176.300 -0.053 0.000 1.142 89 D CA 0.122 54.090 54.000 -0.054 0.000 0.847 89 D CB 1.963 42.804 40.800 0.068 0.000 1.082 89 D HN 0.371 nan 8.370 nan 0.000 0.480 90 I N 2.339 122.776 120.570 -0.222 0.000 2.404 90 I HA 0.271 4.441 4.170 0.001 0.000 0.293 90 I C -0.841 175.102 176.117 -0.290 0.000 0.992 90 I CA -0.921 60.321 61.300 -0.097 0.000 1.149 90 I CB 1.108 39.083 38.000 -0.042 0.000 1.315 90 I HN 0.158 nan 8.210 nan 0.000 0.446 91 Y N 3.924 124.246 120.300 0.037 0.000 2.332 91 Y HA 0.302 4.852 4.550 0.001 0.000 0.326 91 Y C 0.036 175.946 175.900 0.016 0.000 0.978 91 Y CA -0.932 57.181 58.100 0.021 0.000 1.205 91 Y CB 1.166 39.636 38.460 0.018 0.000 1.131 91 Y HN 0.454 nan 8.280 nan 0.000 0.462 92 N N 3.073 121.831 118.700 0.097 0.000 2.415 92 N HA 0.107 4.848 4.740 0.001 0.000 0.246 92 N C 0.004 175.515 175.510 0.002 0.000 1.078 92 N CA 0.085 53.154 53.050 0.031 0.000 0.942 92 N CB 0.741 39.225 38.487 -0.006 0.000 1.140 92 N HN 0.729 nan 8.380 nan 0.000 0.501 93 Q N 2.480 122.260 119.800 -0.034 0.000 2.246 93 Q HA 0.241 4.582 4.340 0.001 0.000 0.202 93 Q C -0.045 175.859 176.000 -0.159 0.000 0.883 93 Q CA -0.074 55.689 55.803 -0.067 0.000 0.952 93 Q CB 0.498 29.207 28.738 -0.048 0.000 1.078 93 Q HN 0.546 nan 8.270 nan 0.000 0.493 94 L N 0.226 121.303 121.223 -0.242 0.000 2.439 94 L HA 0.126 4.467 4.340 0.001 0.000 0.261 94 L C 1.802 178.537 176.870 -0.225 0.000 1.153 94 L CA -0.107 54.506 54.840 -0.379 0.000 0.808 94 L CB 0.672 42.362 42.059 -0.615 0.000 1.126 94 L HN 0.139 nan 8.230 nan 0.000 0.460 95 T N -2.768 111.666 114.554 -0.200 0.000 3.035 95 T HA -0.045 4.306 4.350 0.001 0.000 0.268 95 T C 0.475 175.131 174.700 -0.074 0.000 1.109 95 T CA 0.322 62.364 62.100 -0.096 0.000 1.119 95 T CB -0.256 68.584 68.868 -0.047 0.000 0.900 95 T HN 0.720 nan 8.240 nan 0.000 0.503 96 E N 0.630 120.766 120.200 -0.106 0.000 2.249 96 E HA 0.407 4.758 4.350 0.001 0.000 0.263 96 E C -0.988 175.582 176.600 -0.049 0.000 0.950 96 E CA -1.045 55.328 56.400 -0.045 0.000 0.827 96 E CB 1.310 31.019 29.700 0.016 0.000 1.220 96 E HN 0.321 nan 8.360 nan 0.000 0.411 97 E N 0.258 120.454 120.200 -0.006 0.000 2.418 97 E HA 0.113 4.464 4.350 0.001 0.000 0.261 97 E C -0.454 176.159 176.600 0.023 0.000 1.070 97 E CA 0.543 56.949 56.400 0.010 0.000 0.931 97 E CB 1.163 30.883 29.700 0.032 0.000 0.954 97 E HN 0.456 nan 8.360 nan 0.000 0.439 98 T N 0.310 114.883 114.554 0.032 0.000 2.762 98 T HA 0.479 4.829 4.350 0.001 0.000 0.301 98 T C -1.283 173.463 174.700 0.076 0.000 1.299 98 T CA -0.464 61.674 62.100 0.063 0.000 1.005 98 T CB 1.746 70.646 68.868 0.053 0.000 1.377 98 T HN 0.600 nan 8.240 nan 0.000 0.504 99 T N 0.076 114.692 114.554 0.103 0.000 2.883 99 T HA 0.739 5.090 4.350 0.001 0.000 0.296 99 T C -1.424 173.325 174.700 0.082 0.000 1.117 99 T CA -0.821 61.336 62.100 0.095 0.000 1.006 99 T CB 1.474 70.414 68.868 0.121 0.000 1.191 99 T HN 0.583 nan 8.240 nan 0.000 0.508 100 L N 2.399 123.625 121.223 0.004 0.000 2.353 100 L HA 0.527 4.867 4.340 0.001 0.000 0.270 100 L C -1.125 175.549 176.870 -0.326 0.000 1.003 100 L CA -0.775 53.960 54.840 -0.176 0.000 0.862 100 L CB 0.824 42.711 42.059 -0.286 0.000 1.221 100 L HN 0.983 nan 8.230 nan 0.000 0.430 101 H N 3.420 122.230 119.070 -0.433 0.000 2.458 101 H HA 0.369 4.925 4.556 0.001 0.000 0.330 101 H C -1.573 173.364 175.328 -0.653 0.000 1.111 101 H CA -0.368 55.433 56.048 -0.411 0.000 1.245 101 H CB 0.901 30.552 29.762 -0.185 0.000 1.456 101 H HN 0.430 nan 8.280 nan 0.000 0.488 102 W N 5.320 126.138 121.300 -0.805 0.000 2.292 102 W HA 0.186 4.847 4.660 0.001 0.000 0.352 102 W C -0.090 175.895 176.519 -0.890 0.000 0.962 102 W CA -0.820 56.150 57.345 -0.625 0.000 1.496 102 W CB -0.291 28.967 29.460 -0.338 0.000 1.381 102 W HN 0.686 nan 8.180 nan 0.000 0.363 103 H N 1.963 120.536 119.070 -0.829 0.000 3.026 103 H HA 0.368 4.924 4.556 0.001 0.000 0.289 103 H C 1.384 176.672 175.328 -0.066 0.000 1.022 103 H CA 1.427 57.205 56.048 -0.450 0.000 1.477 103 H CB 0.330 29.731 29.762 -0.601 0.000 1.510 103 H HN 0.794 nan 8.280 nan 0.000 0.535 104 G N 3.790 112.690 108.800 0.166 0.000 2.218 104 G HA2 -0.257 3.703 3.960 0.001 0.000 0.216 104 G HA3 -0.257 3.703 3.960 0.001 0.000 0.216 104 G C -0.388 174.553 174.900 0.069 0.000 0.994 104 G CA -0.087 45.133 45.100 0.200 0.000 0.637 104 G HN 0.626 nan 8.290 nan 0.000 0.505 105 L N 1.937 123.178 121.223 0.030 0.000 2.305 105 L HA 0.583 4.924 4.340 0.001 0.000 0.281 105 L C 0.383 177.247 176.870 -0.010 0.000 1.085 105 L CA -0.334 54.501 54.840 -0.009 0.000 0.813 105 L CB 0.971 43.015 42.059 -0.024 0.000 1.157 105 L HN 0.242 nan 8.230 nan 0.000 0.436 106 E N 4.608 124.799 120.200 -0.016 0.000 1.924 106 E HA 0.369 4.720 4.350 0.001 0.000 0.261 106 E C -0.918 175.668 176.600 -0.022 0.000 1.088 106 E CA -0.231 56.207 56.400 0.064 0.000 0.909 106 E CB 0.512 30.267 29.700 0.092 0.000 1.112 106 E HN 0.451 nan 8.360 nan 0.000 0.425 107 V N 0.136 120.025 119.914 -0.042 0.000 3.078 107 V HA 0.631 4.751 4.120 0.001 0.000 0.311 107 V C -2.776 173.320 176.094 0.003 0.000 1.138 107 V CA -3.234 58.915 62.300 -0.252 0.000 1.007 107 V CB 1.721 33.431 31.823 -0.188 0.000 1.045 107 V HN 0.210 nan 8.190 nan 0.000 0.432 108 P HA 0.222 nan 4.420 nan 0.000 0.270 108 P C 1.133 178.426 177.300 -0.012 0.000 1.223 108 P CA 0.662 63.786 63.100 0.039 0.000 0.785 108 P CB 0.707 32.373 31.700 -0.057 0.000 0.923 109 G N 1.266 109.886 108.800 -0.299 0.000 2.469 109 G HA2 -0.291 3.669 3.960 0.001 0.000 0.220 109 G HA3 -0.291 3.669 3.960 0.001 0.000 0.220 109 G C 1.348 176.162 174.900 -0.143 0.000 1.136 109 G CA 0.668 45.525 45.100 -0.406 0.000 0.759 109 G HN 0.455 nan 8.290 nan 0.000 0.562 110 E N -0.425 119.671 120.200 -0.174 0.000 2.130 110 E HA -0.124 4.226 4.350 0.001 0.000 0.196 110 E C 2.570 179.026 176.600 -0.240 0.000 0.998 110 E CA 1.445 57.656 56.400 -0.316 0.000 0.806 110 E CB -0.061 29.467 29.700 -0.287 0.000 0.738 110 E HN 0.505 nan 8.360 nan 0.000 0.459 111 V N -2.582 117.269 119.914 -0.105 0.000 3.427 111 V HA 0.220 4.341 4.120 0.001 0.000 0.305 111 V C 1.135 177.301 176.094 0.120 0.000 1.412 111 V CA 0.418 62.702 62.300 -0.027 0.000 1.086 111 V CB 0.558 32.331 31.823 -0.083 0.000 0.964 111 V HN -0.055 nan 8.190 nan 0.000 0.439 112 D N 2.361 122.851 120.400 0.150 0.000 2.264 112 D HA 0.095 4.735 4.640 0.001 0.000 0.208 112 D C 1.843 178.354 176.300 0.352 0.000 0.966 112 D CA 1.565 55.748 54.000 0.306 0.000 0.864 112 D CB -0.245 40.778 40.800 0.372 0.000 0.933 112 D HN 0.785 nan 8.370 nan 0.000 0.499 113 G N -0.549 108.379 108.800 0.213 0.000 2.249 113 G HA2 -0.202 3.758 3.960 0.001 0.000 0.273 113 G HA3 -0.202 3.758 3.960 0.001 0.000 0.273 113 G C 0.708 175.694 174.900 0.144 0.000 1.036 113 G CA 0.389 45.585 45.100 0.160 0.000 0.824 113 G HN 0.645 nan 8.290 nan 0.000 0.504 114 G N 0.097 108.934 108.800 0.062 0.000 2.529 114 G HA2 0.523 4.483 3.960 0.001 0.000 0.277 114 G HA3 0.523 4.483 3.960 0.001 0.000 0.277 114 G C -0.084 174.784 174.900 -0.052 0.000 1.383 114 G CA 0.075 45.071 45.100 -0.172 0.000 1.050 114 G HN 0.181 nan 8.290 nan 0.000 0.526 115 P HA -0.099 nan 4.420 nan 0.000 0.220 115 P C 1.258 178.584 177.300 0.044 0.000 1.148 115 P CA 1.227 64.354 63.100 0.045 0.000 0.803 115 P CB 0.162 31.903 31.700 0.068 0.000 0.782 116 Q N -0.541 119.259 119.800 0.001 0.000 2.435 116 Q HA 0.078 4.419 4.340 0.001 0.000 0.207 116 Q C 1.588 177.621 176.000 0.055 0.000 0.956 116 Q CA 0.638 56.425 55.803 -0.027 0.000 0.917 116 Q CB -0.393 28.253 28.738 -0.152 0.000 0.997 116 Q HN 0.216 nan 8.270 nan 0.000 0.497 117 G N 0.917 109.778 108.800 0.102 0.000 3.741 117 G HA2 0.193 4.154 3.960 0.001 0.000 0.263 117 G HA3 0.193 4.154 3.960 0.001 0.000 0.263 117 G C 0.035 174.984 174.900 0.083 0.000 1.175 117 G CA -0.400 44.776 45.100 0.125 0.000 1.642 117 G HN 0.087 nan 8.290 nan 0.000 0.644 118 I N 1.441 122.054 120.570 0.070 0.000 2.618 118 I HA 0.088 4.259 4.170 0.001 0.000 0.284 118 I C 0.357 176.496 176.117 0.037 0.000 1.146 118 I CA 0.156 61.488 61.300 0.054 0.000 1.425 118 I CB 0.815 38.842 38.000 0.044 0.000 1.383 118 I HN 0.145 nan 8.210 nan 0.000 0.562 119 I N 8.722 129.309 120.570 0.029 0.000 2.328 119 I HA 0.262 4.433 4.170 0.001 0.000 0.287 119 I C -2.212 173.908 176.117 0.005 0.000 1.012 119 I CA -1.909 59.397 61.300 0.009 0.000 1.195 119 I CB 1.392 39.395 38.000 0.005 0.000 1.350 119 I HN 0.265 nan 8.210 nan 0.000 0.464 120 P HA 0.149 nan 4.420 nan 0.000 0.272 120 P C -2.495 174.798 177.300 -0.012 0.000 1.230 120 P CA -1.321 61.778 63.100 -0.003 0.000 0.788 120 P CB -0.328 31.370 31.700 -0.003 0.000 0.949 121 P HA -0.027 nan 4.420 nan 0.000 0.262 121 P C 1.061 178.350 177.300 -0.017 0.000 1.182 121 P CA 1.453 64.534 63.100 -0.032 0.000 0.761 121 P CB -0.226 31.454 31.700 -0.033 0.000 0.795 122 G N 2.013 110.805 108.800 -0.012 0.000 2.184 122 G HA2 -0.190 3.770 3.960 0.001 0.000 0.264 122 G HA3 -0.190 3.770 3.960 0.001 0.000 0.264 122 G C 0.597 175.513 174.900 0.026 0.000 0.975 122 G CA -0.019 45.088 45.100 0.011 0.000 0.642 122 G HN 0.901 nan 8.290 nan 0.000 0.536 123 G N -0.458 108.347 108.800 0.008 0.000 2.507 123 G HA2 0.538 4.498 3.960 0.001 0.000 0.271 123 G HA3 0.538 4.498 3.960 0.001 0.000 0.271 123 G C -0.245 174.631 174.900 -0.040 0.000 1.189 123 G CA 0.168 45.263 45.100 -0.010 0.000 0.859 123 G HN 0.493 nan 8.290 nan 0.000 0.542 124 K N 0.647 120.986 120.400 -0.102 0.000 2.292 124 K HA 0.500 4.821 4.320 0.001 0.000 0.257 124 K C -0.736 175.730 176.600 -0.223 0.000 0.940 124 K CA -0.823 55.292 56.287 -0.286 0.000 0.811 124 K CB 1.002 33.282 32.500 -0.366 0.000 1.120 124 K HN 0.367 nan 8.250 nan 0.000 0.428 125 R N 1.658 122.012 120.500 -0.244 0.000 2.621 125 R HA 0.360 4.700 4.340 0.001 0.000 0.284 125 R C -1.182 175.020 176.300 -0.163 0.000 0.998 125 R CA -0.838 55.169 56.100 -0.155 0.000 0.895 125 R CB 2.176 32.425 30.300 -0.086 0.000 1.195 125 R HN 0.623 nan 8.270 nan 0.000 0.450 126 S N 1.059 116.684 115.700 -0.125 0.000 2.472 126 S HA 0.628 5.098 4.470 0.001 0.000 0.303 126 S C -0.139 174.414 174.600 -0.079 0.000 1.099 126 S CA -0.805 57.334 58.200 -0.103 0.000 1.077 126 S CB 1.849 64.990 63.200 -0.097 0.000 1.031 126 S HN 0.419 nan 8.310 nan 0.000 0.487 127 V N 0.356 120.229 119.914 -0.068 0.000 2.789 127 V HA 0.791 4.912 4.120 0.001 0.000 0.311 127 V C -0.483 175.531 176.094 -0.133 0.000 1.073 127 V CA -0.625 61.625 62.300 -0.084 0.000 0.921 127 V CB 1.721 33.524 31.823 -0.032 0.000 1.009 127 V HN 0.693 nan 8.190 nan 0.000 0.426 128 T N 5.793 120.255 114.554 -0.153 0.000 2.771 128 T HA 0.637 4.988 4.350 0.001 0.000 0.281 128 T C -0.274 174.283 174.700 -0.239 0.000 0.982 128 T CA -0.236 61.755 62.100 -0.182 0.000 0.978 128 T CB 0.914 69.697 68.868 -0.141 0.000 0.930 128 T HN 0.654 nan 8.240 nan 0.000 0.447 129 L N 4.261 125.297 121.223 -0.312 0.000 2.262 129 L HA 0.420 4.760 4.340 0.001 0.000 0.288 129 L C 0.112 176.813 176.870 -0.281 0.000 1.035 129 L CA -0.899 53.715 54.840 -0.378 0.000 0.820 129 L CB 0.466 42.176 42.059 -0.581 0.000 1.204 129 L HN 0.490 nan 8.230 nan 0.000 0.424 130 N N 3.412 121.968 118.700 -0.241 0.000 2.602 130 N HA 0.170 4.911 4.740 0.001 0.000 0.238 130 N C -0.421 174.984 175.510 -0.176 0.000 1.084 130 N CA -0.169 52.773 53.050 -0.181 0.000 0.952 130 N CB 1.515 39.915 38.487 -0.145 0.000 1.244 130 N HN 0.216 nan 8.380 nan 0.000 0.512 131 V N 1.744 121.560 119.914 -0.164 0.000 2.455 131 V HA 0.112 4.233 4.120 0.001 0.000 0.273 131 V C 0.393 176.431 176.094 -0.093 0.000 1.045 131 V CA -0.142 62.071 62.300 -0.145 0.000 0.976 131 V CB 0.888 32.619 31.823 -0.153 0.000 0.993 131 V HN 0.464 nan 8.190 nan 0.000 0.475 132 D N 4.469 124.830 120.400 -0.066 0.000 2.472 132 D HA 0.395 5.035 4.640 0.001 0.000 0.248 132 D C -0.517 175.747 176.300 -0.059 0.000 1.271 132 D CA -0.320 53.654 54.000 -0.044 0.000 0.888 132 D CB 0.600 41.397 40.800 -0.004 0.000 1.337 132 D HN 0.772 nan 8.370 nan 0.000 0.526 133 Q N 0.450 120.194 119.800 -0.093 0.000 2.633 133 Q HA 0.570 4.910 4.340 0.001 0.000 0.289 133 Q C -3.072 172.845 176.000 -0.138 0.000 0.940 133 Q CA -1.934 53.781 55.803 -0.147 0.000 0.785 133 Q CB 1.423 30.067 28.738 -0.157 0.000 1.467 133 Q HN -0.047 nan 8.270 nan 0.000 0.401 134 P HA 0.135 nan 4.420 nan 0.000 0.270 134 P C -0.712 176.545 177.300 -0.071 0.000 1.223 134 P CA 0.092 63.122 63.100 -0.117 0.000 0.785 134 P CB 0.323 31.938 31.700 -0.141 0.000 0.923 135 A N 1.300 124.101 122.820 -0.031 0.000 2.587 135 A HA 0.405 4.725 4.320 0.001 0.000 0.235 135 A C 0.371 177.961 177.584 0.008 0.000 1.044 135 A CA 1.212 53.244 52.037 -0.007 0.000 0.754 135 A CB -1.105 17.900 19.000 0.010 0.000 0.968 135 A HN 0.670 nan 8.150 nan 0.000 0.509 136 A N 1.825 124.657 122.820 0.019 0.000 2.586 136 A HA 0.672 4.993 4.320 0.001 0.000 0.291 136 A C -0.345 177.274 177.584 0.058 0.000 1.062 136 A CA -0.329 51.730 52.037 0.036 0.000 0.666 136 A CB 0.511 19.523 19.000 0.019 0.000 1.281 136 A HN 1.015 nan 8.150 nan 0.000 0.421 137 T N 1.397 115.992 114.554 0.069 0.000 2.781 137 T HA 0.498 4.849 4.350 0.001 0.000 0.305 137 T C -0.032 174.738 174.700 0.117 0.000 1.001 137 T CA -0.097 62.062 62.100 0.098 0.000 0.950 137 T CB -0.328 68.594 68.868 0.090 0.000 0.955 137 T HN 0.719 nan 8.240 nan 0.000 0.471 138 C N 3.549 122.954 119.300 0.175 0.000 2.548 138 C HA 0.854 5.315 4.460 0.001 0.000 0.412 138 C C -0.303 174.935 174.990 0.415 0.000 1.588 138 C CA -0.684 58.499 59.018 0.276 0.000 1.861 138 C CB 0.933 28.810 27.740 0.229 0.000 1.983 138 C HN 0.982 nan 8.230 nan 0.000 0.497 139 W N 0.065 121.434 121.300 0.115 0.000 2.988 139 W HA 0.694 5.354 4.660 0.001 0.000 0.355 139 W C -2.057 174.563 176.519 0.168 0.000 1.233 139 W CA -1.837 55.567 57.345 0.098 0.000 1.176 139 W CB 0.360 29.802 29.460 -0.030 0.000 1.477 139 W HN 0.730 nan 8.180 nan 0.000 0.582 140 F N 0.598 120.502 119.950 -0.077 0.000 2.599 140 F HA 0.819 5.347 4.527 0.002 0.000 0.311 140 F C -0.981 174.601 175.800 -0.363 0.000 1.076 140 F CA -1.119 56.557 58.000 -0.539 0.000 0.937 140 F CB 1.732 40.226 39.000 -0.843 0.000 1.282 140 F HN 0.695 nan 8.300 nan 0.000 0.460 141 H N -0.946 117.976 119.070 -0.248 0.000 2.987 141 H HA 0.657 5.214 4.556 0.002 0.000 0.316 141 H C -3.551 171.794 175.328 0.028 0.000 1.380 141 H CA -2.222 53.774 56.048 -0.087 0.000 1.160 141 H CB 1.034 30.606 29.762 -0.316 0.000 1.865 141 H HN 0.437 nan 8.280 nan 0.000 0.521 142 P HA 0.124 nan 4.420 nan 0.000 0.272 142 P C -0.284 177.144 177.300 0.213 0.000 1.230 142 P CA 0.137 63.375 63.100 0.230 0.000 0.788 142 P CB 0.853 32.670 31.700 0.196 0.000 0.949 143 H N -0.196 118.947 119.070 0.121 0.000 2.750 143 H HA 0.137 4.694 4.556 0.001 0.000 0.239 143 H C 0.037 175.390 175.328 0.041 0.000 1.210 143 H CA -0.364 55.722 56.048 0.063 0.000 0.936 143 H CB 0.324 30.095 29.762 0.014 0.000 2.074 143 H HN 0.356 nan 8.280 nan 0.000 0.622 144 Q N 1.505 121.398 119.800 0.155 0.000 2.247 144 Q HA -0.073 4.268 4.340 0.001 0.000 0.288 144 Q C -0.047 176.052 176.000 0.166 0.000 1.079 144 Q CA 0.307 56.196 55.803 0.143 0.000 0.932 144 Q CB -0.211 28.589 28.738 0.103 0.000 1.133 144 Q HN 0.483 nan 8.270 nan 0.000 0.377 145 H N 3.777 122.903 119.070 0.093 0.000 3.192 145 H HA 0.013 4.570 4.556 0.001 0.000 0.295 145 H C 1.075 176.454 175.328 0.085 0.000 0.943 145 H CA 0.913 57.030 56.048 0.115 0.000 1.416 145 H CB 0.193 30.051 29.762 0.161 0.000 1.434 145 H HN 1.043 nan 8.280 nan 0.000 0.565 146 G N 4.507 113.288 108.800 -0.031 0.000 2.189 146 G HA2 -0.328 3.632 3.960 0.001 0.000 0.267 146 G HA3 -0.328 3.632 3.960 0.001 0.000 0.267 146 G C 0.778 175.646 174.900 -0.054 0.000 0.975 146 G CA 0.782 45.807 45.100 -0.126 0.000 0.644 146 G HN 0.688 nan 8.290 nan 0.000 0.537 147 K N -0.629 119.750 120.400 -0.035 0.000 2.533 147 K HA 0.209 4.530 4.320 0.001 0.000 0.202 147 K C 1.791 178.328 176.600 -0.105 0.000 1.096 147 K CA 0.497 56.747 56.287 -0.061 0.000 1.056 147 K CB 0.479 32.965 32.500 -0.024 0.000 0.890 147 K HN 0.195 nan 8.250 nan 0.000 0.552 148 T N 0.617 115.115 114.554 -0.095 0.000 2.746 148 T HA -0.127 4.224 4.350 0.001 0.000 0.267 148 T C 1.943 176.516 174.700 -0.211 0.000 1.039 148 T CA 1.859 63.873 62.100 -0.142 0.000 1.142 148 T CB -0.232 68.503 68.868 -0.222 0.000 0.866 148 T HN 0.486 nan 8.240 nan 0.000 0.444 149 G N 1.333 110.012 108.800 -0.202 0.000 2.446 149 G HA2 -0.287 3.673 3.960 0.001 0.000 0.217 149 G HA3 -0.287 3.673 3.960 0.001 0.000 0.217 149 G C 1.571 176.020 174.900 -0.752 0.000 1.168 149 G CA 0.930 45.878 45.100 -0.253 0.000 0.771 149 G HN 0.424 nan 8.290 nan 0.000 0.551 150 R N 0.081 119.969 120.500 -1.021 0.000 2.075 150 R HA -0.051 4.289 4.340 0.001 0.000 0.232 150 R C 2.707 178.460 176.300 -0.913 0.000 1.126 150 R CA 1.573 56.786 56.100 -1.478 0.000 0.963 150 R CB -0.258 29.472 30.300 -0.950 0.000 0.858 150 R HN 0.453 nan 8.270 nan 0.000 0.435 151 Q N -0.369 119.132 119.800 -0.499 0.000 2.172 151 Q HA -0.081 4.260 4.340 0.001 0.000 0.200 151 Q C 2.139 177.995 176.000 -0.240 0.000 0.964 151 Q CA 1.337 56.981 55.803 -0.264 0.000 0.855 151 Q CB 0.225 29.009 28.738 0.077 0.000 0.918 151 Q HN 0.224 nan 8.270 nan 0.000 0.444 152 V N 1.038 120.809 119.914 -0.239 0.000 2.379 152 V HA -0.220 3.901 4.120 0.001 0.000 0.245 152 V C 2.324 178.284 176.094 -0.224 0.000 1.044 152 V CA 1.706 63.927 62.300 -0.131 0.000 1.036 152 V CB -0.896 30.892 31.823 -0.058 0.000 0.664 152 V HN 0.347 nan 8.190 nan 0.000 0.453 153 A N -0.381 122.157 122.820 -0.471 0.000 1.940 153 A HA -0.233 4.087 4.320 0.001 0.000 0.219 153 A C 2.171 179.454 177.584 -0.501 0.000 1.176 153 A CA 1.974 53.642 52.037 -0.615 0.000 0.631 153 A CB -0.466 17.701 19.000 -1.389 0.000 0.814 153 A HN 0.411 nan 8.150 nan 0.000 0.446 154 M N -1.931 117.279 119.600 -0.651 0.000 2.374 154 M HA 0.046 4.527 4.480 0.001 0.000 0.264 154 M C 1.610 177.704 176.300 -0.343 0.000 1.067 154 M CA 1.359 56.230 55.300 -0.715 0.000 1.103 154 M CB -0.761 30.886 32.600 -1.588 0.000 1.402 154 M HN 0.762 nan 8.290 nan 0.000 0.444 155 G N -0.401 108.294 108.800 -0.174 0.000 2.559 155 G HA2 -0.085 3.875 3.960 0.001 0.000 0.202 155 G HA3 -0.085 3.875 3.960 0.001 0.000 0.202 155 G C -0.001 174.923 174.900 0.041 0.000 0.992 155 G CA -0.626 44.480 45.100 0.009 0.000 0.764 155 G HN 0.316 nan 8.290 nan 0.000 0.525 156 L N 1.676 122.907 121.223 0.013 0.000 2.407 156 L HA 0.594 4.935 4.340 0.001 0.000 0.282 156 L C 0.548 177.540 176.870 0.202 0.000 1.110 156 L CA 0.515 55.334 54.840 -0.035 0.000 0.863 156 L CB 0.772 42.784 42.059 -0.080 0.000 1.207 156 L HN 0.459 nan 8.230 nan 0.000 0.454 157 A N 2.931 125.923 122.820 0.287 0.000 2.577 157 A HA 0.818 5.139 4.320 0.001 0.000 0.297 157 A C -0.537 177.064 177.584 0.028 0.000 1.060 157 A CA -0.066 52.140 52.037 0.281 0.000 0.697 157 A CB 1.563 20.778 19.000 0.359 0.000 1.281 157 A HN 0.659 nan 8.150 nan 0.000 0.402 158 G N -0.240 108.197 108.800 -0.606 0.000 2.766 158 G HA2 0.676 4.637 3.960 0.001 0.000 0.288 158 G HA3 0.676 4.637 3.960 0.001 0.000 0.288 158 G C -1.347 173.254 174.900 -0.500 0.000 1.408 158 G CA -0.726 43.832 45.100 -0.903 0.000 0.852 158 G HN 0.778 nan 8.290 nan 0.000 0.487 159 L N -0.570 120.636 121.223 -0.029 0.000 2.322 159 L HA 0.734 5.075 4.340 0.001 0.000 0.269 159 L C -0.607 176.514 176.870 0.419 0.000 1.012 159 L CA -1.171 53.815 54.840 0.243 0.000 0.815 159 L CB 2.407 44.615 42.059 0.248 0.000 1.295 159 L HN 0.215 nan 8.230 nan 0.000 0.438 160 V N 2.128 122.262 119.914 0.366 0.000 2.483 160 V HA 0.341 4.462 4.120 0.001 0.000 0.297 160 V C -0.418 175.776 176.094 0.165 0.000 1.027 160 V CA -0.635 61.841 62.300 0.293 0.000 0.855 160 V CB 2.039 34.056 31.823 0.323 0.000 0.995 160 V HN 0.371 nan 8.190 nan 0.000 0.424 161 V N 6.618 126.577 119.914 0.074 0.000 2.318 161 V HA 0.447 4.568 4.120 0.001 0.000 0.271 161 V C 0.032 176.121 176.094 -0.009 0.000 1.030 161 V CA -0.250 62.065 62.300 0.025 0.000 0.844 161 V CB 1.229 33.007 31.823 -0.075 0.000 1.015 161 V HN 0.665 nan 8.190 nan 0.000 0.460 162 I N 5.013 125.587 120.570 0.006 0.000 2.315 162 I HA 0.409 4.580 4.170 0.001 0.000 0.291 162 I C 0.428 176.535 176.117 -0.018 0.000 1.006 162 I CA -0.251 61.035 61.300 -0.023 0.000 1.265 162 I CB 0.965 38.949 38.000 -0.027 0.000 1.387 162 I HN 0.573 nan 8.210 nan 0.000 0.475 163 E N 5.243 125.424 120.200 -0.032 0.000 2.222 163 E HA 0.473 4.823 4.350 0.001 0.000 0.267 163 E C -1.338 175.246 176.600 -0.027 0.000 0.963 163 E CA -0.724 55.663 56.400 -0.022 0.000 0.837 163 E CB 2.125 31.810 29.700 -0.024 0.000 1.183 163 E HN 0.626 nan 8.360 nan 0.000 0.403 164 D N -0.589 119.801 120.400 -0.017 0.000 2.752 164 D HA 0.126 4.766 4.640 0.001 0.000 0.313 164 D C -0.069 176.225 176.300 -0.009 0.000 1.225 164 D CA -0.513 53.476 54.000 -0.019 0.000 0.976 164 D CB 0.226 41.013 40.800 -0.021 0.000 1.443 164 D HN 0.096 nan 8.370 nan 0.000 0.515 165 D N -0.287 120.108 120.400 -0.008 0.000 2.117 165 D HA -0.129 4.512 4.640 0.001 0.000 0.198 165 D C 1.444 177.746 176.300 0.004 0.000 0.982 165 D CA 1.129 55.127 54.000 -0.003 0.000 0.828 165 D CB 0.055 40.853 40.800 -0.003 0.000 0.967 165 D HN 0.680 nan 8.370 nan 0.000 0.464 166 E N 0.526 120.729 120.200 0.006 0.000 2.058 166 E HA -0.159 4.192 4.350 0.001 0.000 0.194 166 E C 2.234 178.843 176.600 0.015 0.000 0.997 166 E CA 0.582 56.990 56.400 0.013 0.000 0.801 166 E CB -0.119 29.593 29.700 0.019 0.000 0.746 166 E HN 0.219 nan 8.360 nan 0.000 0.450 167 I N 0.436 121.015 120.570 0.016 0.000 2.439 167 I HA -0.202 3.968 4.170 0.001 0.000 0.251 167 I C 1.965 178.092 176.117 0.018 0.000 1.139 167 I CA 0.629 61.940 61.300 0.020 0.000 1.438 167 I CB 0.157 38.172 38.000 0.024 0.000 1.085 167 I HN 0.191 nan 8.210 nan 0.000 0.427 168 L N 1.149 122.381 121.223 0.015 0.000 2.291 168 L HA -0.143 4.198 4.340 0.001 0.000 0.214 168 L C 2.381 179.260 176.870 0.015 0.000 1.120 168 L CA 0.855 55.705 54.840 0.016 0.000 0.799 168 L CB -0.530 41.536 42.059 0.011 0.000 0.925 168 L HN 0.298 nan 8.230 nan 0.000 0.446 169 K N 0.222 120.630 120.400 0.012 0.000 2.418 169 K HA -0.016 4.305 4.320 0.001 0.000 0.195 169 K C 1.705 178.312 176.600 0.010 0.000 1.035 169 K CA 0.628 56.922 56.287 0.011 0.000 1.003 169 K CB -0.002 32.504 32.500 0.010 0.000 0.793 169 K HN 0.330 nan 8.250 nan 0.000 0.494 170 L N 0.688 121.917 121.223 0.009 0.000 2.291 170 L HA 0.036 4.376 4.340 0.001 0.000 0.214 170 L C 0.407 177.278 176.870 0.001 0.000 1.120 170 L CA 0.310 55.151 54.840 0.002 0.000 0.799 170 L CB -0.530 41.528 42.059 -0.002 0.000 0.925 170 L HN 0.204 nan 8.230 nan 0.000 0.446 171 M N -0.646 118.962 119.600 0.012 0.000 2.537 171 M HA -0.195 4.286 4.480 0.001 0.000 0.205 171 M C -0.124 176.186 176.300 0.017 0.000 0.450 171 M CA 0.811 56.123 55.300 0.020 0.000 0.553 171 M CB -2.673 29.939 32.600 0.021 0.000 2.046 171 M HN 0.108 nan 8.290 nan 0.000 0.797 172 L N 0.692 121.922 121.223 0.012 0.000 2.476 172 L HA 0.260 4.601 4.340 0.001 0.000 0.264 172 L C -1.291 175.608 176.870 0.048 0.000 1.224 172 L CA -1.496 53.349 54.840 0.008 0.000 0.821 172 L CB 0.038 42.102 42.059 0.009 0.000 1.101 172 L HN 0.015 nan 8.230 nan 0.000 0.488 173 P HA 0.024 nan 4.420 nan 0.000 0.264 173 P C -0.786 176.571 177.300 0.096 0.000 1.193 173 P CA 0.160 63.319 63.100 0.097 0.000 0.763 173 P CB 0.262 32.036 31.700 0.123 0.000 0.810 174 K N 0.636 121.100 120.400 0.106 0.000 2.684 174 K HA 0.208 4.529 4.320 0.001 0.000 0.189 174 K C -0.083 176.612 176.600 0.158 0.000 1.154 174 K CA -0.494 55.871 56.287 0.129 0.000 1.109 174 K CB 0.184 32.744 32.500 0.100 0.000 0.826 174 K HN 0.037 nan 8.250 nan 0.000 0.501 175 Q N 2.269 122.156 119.800 0.145 0.000 2.456 175 Q HA 0.106 4.446 4.340 0.001 0.000 0.234 175 Q C -1.232 174.884 176.000 0.193 0.000 1.061 175 Q CA -0.565 55.333 55.803 0.157 0.000 0.896 175 Q CB 0.394 29.199 28.738 0.112 0.000 1.233 175 Q HN 0.399 nan 8.270 nan 0.000 0.506 176 W N 4.722 126.047 121.300 0.042 0.000 2.347 176 W HA 0.222 4.883 4.660 0.001 0.000 0.333 176 W C 0.780 177.328 176.519 0.048 0.000 1.383 176 W CA 1.851 59.218 57.345 0.038 0.000 1.283 176 W CB 0.346 29.827 29.460 0.035 0.000 1.253 176 W HN 0.953 nan 8.180 nan 0.000 0.563 177 G N 4.263 112.755 108.800 -0.513 0.000 2.162 177 G HA2 -0.349 3.612 3.960 0.001 0.000 0.260 177 G HA3 -0.349 3.612 3.960 0.001 0.000 0.260 177 G C 0.393 175.301 174.900 0.014 0.000 0.976 177 G CA 0.663 45.570 45.100 -0.321 0.000 0.655 177 G HN 0.593 nan 8.290 nan 0.000 0.533 178 I N -0.393 120.204 120.570 0.044 0.000 3.809 178 I HA 0.218 4.389 4.170 0.001 0.000 0.245 178 I C 1.725 177.955 176.117 0.188 0.000 1.119 178 I CA 0.726 62.108 61.300 0.137 0.000 1.597 178 I CB 0.022 38.073 38.000 0.085 0.000 1.605 178 I HN 0.094 nan 8.210 nan 0.000 0.441 179 D N -1.145 119.319 120.400 0.106 0.000 2.433 179 D HA 0.059 4.700 4.640 0.001 0.000 0.211 179 D C -0.118 176.216 176.300 0.056 0.000 1.114 179 D CA 0.151 54.214 54.000 0.105 0.000 0.837 179 D CB 0.171 41.038 40.800 0.111 0.000 0.984 179 D HN 0.086 nan 8.370 nan 0.000 0.505 180 D N 0.408 120.805 120.400 -0.005 0.000 2.473 180 D HA 0.348 4.988 4.640 0.001 0.000 0.253 180 D C -1.544 174.581 176.300 -0.291 0.000 1.233 180 D CA -0.719 53.257 54.000 -0.041 0.000 0.908 180 D CB 1.671 42.532 40.800 0.102 0.000 1.170 180 D HN -0.184 nan 8.370 nan 0.000 0.558 181 V N 6.046 125.744 119.914 -0.360 0.000 2.577 181 V HA 0.528 4.649 4.120 0.001 0.000 0.303 181 V C -2.192 173.620 176.094 -0.470 0.000 1.042 181 V CA -1.548 60.407 62.300 -0.575 0.000 0.872 181 V CB 2.264 33.730 31.823 -0.596 0.000 0.998 181 V HN 0.470 nan 8.190 nan 0.000 0.423 182 P HA 0.310 nan 4.420 nan 0.000 0.279 182 P C -0.936 176.232 177.300 -0.219 0.000 1.239 182 P CA -0.209 62.733 63.100 -0.264 0.000 0.789 182 P CB 1.720 33.340 31.700 -0.132 0.000 0.933 183 V N 5.122 124.937 119.914 -0.166 0.000 2.380 183 V HA 0.278 4.399 4.120 0.001 0.000 0.272 183 V C 0.325 176.349 176.094 -0.117 0.000 1.011 183 V CA -0.354 61.853 62.300 -0.155 0.000 0.826 183 V CB 0.740 32.437 31.823 -0.209 0.000 1.040 183 V HN 0.413 nan 8.190 nan 0.000 0.441 184 I N 4.634 125.163 120.570 -0.069 0.000 2.301 184 I HA 0.346 4.516 4.170 0.001 0.000 0.292 184 I C -0.225 175.887 176.117 -0.008 0.000 1.046 184 I CA -0.377 60.885 61.300 -0.062 0.000 1.282 184 I CB 1.327 39.304 38.000 -0.038 0.000 1.409 184 I HN 0.242 nan 8.210 nan 0.000 0.484 185 V N 6.916 126.837 119.914 0.012 0.000 2.398 185 V HA 0.448 4.568 4.120 0.001 0.000 0.286 185 V C -0.149 175.968 176.094 0.039 0.000 1.026 185 V CA -0.462 61.891 62.300 0.088 0.000 0.868 185 V CB 1.443 33.411 31.823 0.242 0.000 0.982 185 V HN 0.720 nan 8.190 nan 0.000 0.443 186 Q N 2.638 122.465 119.800 0.045 0.000 2.353 186 Q HA 0.390 4.730 4.340 0.001 0.000 0.275 186 Q C -1.672 174.331 176.000 0.005 0.000 1.029 186 Q CA -0.897 54.917 55.803 0.018 0.000 0.848 186 Q CB 2.937 31.702 28.738 0.045 0.000 1.390 186 Q HN 0.894 nan 8.270 nan 0.000 0.401 187 D N 1.232 121.594 120.400 -0.063 0.000 2.277 187 D HA 0.511 5.152 4.640 0.001 0.000 0.250 187 D C -0.673 175.516 176.300 -0.185 0.000 1.032 187 D CA -0.454 53.472 54.000 -0.123 0.000 0.947 187 D CB 1.689 42.335 40.800 -0.257 0.000 1.159 187 D HN 0.276 nan 8.370 nan 0.000 0.460 188 K N -0.316 119.903 120.400 -0.302 0.000 2.508 188 K HA 0.342 4.663 4.320 0.001 0.000 0.260 188 K C -0.845 175.314 176.600 -0.736 0.000 0.949 188 K CA -1.000 54.946 56.287 -0.569 0.000 0.834 188 K CB 2.706 34.868 32.500 -0.563 0.000 1.365 188 K HN 0.492 nan 8.250 nan 0.000 0.437 189 K N 1.523 121.376 120.400 -0.912 0.000 2.206 189 K HA 0.493 4.814 4.320 0.001 0.000 0.264 189 K C -1.071 175.247 176.600 -0.471 0.000 0.967 189 K CA -0.599 55.343 56.287 -0.574 0.000 0.844 189 K CB 0.824 32.973 32.500 -0.585 0.000 1.099 189 K HN 0.198 nan 8.250 nan 0.000 0.441 190 F N 0.649 120.570 119.950 -0.048 0.000 2.492 190 F HA 0.321 4.848 4.527 0.001 0.000 0.327 190 F C 0.440 176.243 175.800 0.005 0.000 1.079 190 F CA -0.735 57.266 58.000 0.000 0.000 0.967 190 F CB 2.181 41.174 39.000 -0.012 0.000 1.169 190 F HN 0.506 nan 8.300 nan 0.000 0.472 191 S N 0.722 116.551 115.700 0.216 0.000 2.614 191 S HA 0.350 4.821 4.470 0.001 0.000 0.265 191 S C 1.213 175.892 174.600 0.132 0.000 1.303 191 S CA -0.125 58.154 58.200 0.132 0.000 1.000 191 S CB 1.333 64.595 63.200 0.104 0.000 0.935 191 S HN 0.805 nan 8.310 nan 0.000 0.551 192 A N 1.799 124.668 122.820 0.082 0.000 1.958 192 A HA -0.211 4.109 4.320 0.001 0.000 0.221 192 A C 1.680 179.299 177.584 0.060 0.000 1.178 192 A CA 2.112 54.185 52.037 0.061 0.000 0.642 192 A CB -0.853 18.172 19.000 0.042 0.000 0.816 192 A HN 0.906 nan 8.150 nan 0.000 0.453 193 D N -2.105 118.336 120.400 0.069 0.000 2.378 193 D HA 0.222 4.862 4.640 0.001 0.000 0.227 193 D C 1.223 177.570 176.300 0.078 0.000 1.012 193 D CA 1.208 55.246 54.000 0.065 0.000 0.905 193 D CB -0.645 40.193 40.800 0.063 0.000 0.895 193 D HN 0.926 nan 8.370 nan 0.000 0.532 194 G N -0.676 108.185 108.800 0.102 0.000 2.194 194 G HA2 -0.255 3.706 3.960 0.001 0.000 0.236 194 G HA3 -0.255 3.706 3.960 0.001 0.000 0.236 194 G C 0.172 175.219 174.900 0.245 0.000 0.987 194 G CA -0.060 45.099 45.100 0.098 0.000 0.635 194 G HN 0.379 nan 8.290 nan 0.000 0.520 195 Q N 0.251 120.201 119.800 0.251 0.000 2.354 195 Q HA 0.526 4.867 4.340 0.001 0.000 0.244 195 Q C 1.048 177.251 176.000 0.337 0.000 0.969 195 Q CA -0.414 55.554 55.803 0.275 0.000 0.885 195 Q CB 1.056 29.890 28.738 0.159 0.000 1.241 195 Q HN 0.526 nan 8.270 nan 0.000 0.461 196 I N 1.681 122.391 120.570 0.233 0.000 2.683 196 I HA -0.134 4.037 4.170 0.001 0.000 0.286 196 I C 0.445 176.590 176.117 0.046 0.000 1.175 196 I CA 0.361 61.669 61.300 0.013 0.000 1.429 196 I CB 0.257 38.197 38.000 -0.100 0.000 1.371 196 I HN 0.399 nan 8.210 nan 0.000 0.569 197 D N 6.902 127.357 120.400 0.091 0.000 2.460 197 D HA 0.200 4.840 4.640 0.001 0.000 0.232 197 D C -1.389 175.061 176.300 0.250 0.000 1.079 197 D CA -0.211 53.864 54.000 0.126 0.000 0.864 197 D CB 0.362 41.215 40.800 0.089 0.000 1.048 197 D HN 0.297 nan 8.370 nan 0.000 0.523 198 Y N 3.292 123.556 120.300 -0.060 0.000 2.326 198 Y HA 0.414 4.965 4.550 0.002 0.000 0.329 198 Y C -1.238 174.564 175.900 -0.163 0.000 0.973 198 Y CA -0.563 57.379 58.100 -0.263 0.000 1.162 198 Y CB 1.127 39.165 38.460 -0.704 0.000 1.147 198 Y HN 0.176 nan 8.280 nan 0.000 0.456 199 Q N 6.157 125.707 119.800 -0.417 0.000 2.285 199 Q HA 0.256 4.596 4.340 0.001 0.000 0.269 199 Q C -1.486 174.300 176.000 -0.356 0.000 1.030 199 Q CA -0.952 54.712 55.803 -0.233 0.000 0.788 199 Q CB 2.758 31.434 28.738 -0.102 0.000 1.266 199 Q HN 0.836 nan 8.270 nan 0.000 0.438 200 L N 4.562 125.670 121.223 -0.193 0.000 2.423 200 L HA 0.150 4.491 4.340 0.001 0.000 0.249 200 L C -0.403 176.437 176.870 -0.050 0.000 1.276 200 L CA -0.029 54.740 54.840 -0.119 0.000 1.199 200 L CB -0.671 41.401 42.059 0.022 0.000 1.407 200 L HN 0.448 nan 8.230 nan 0.000 0.410 201 D N 0.086 120.448 120.400 -0.062 0.000 2.506 201 D HA 0.121 4.761 4.640 0.001 0.000 0.272 201 D C 1.315 177.616 176.300 0.001 0.000 1.214 201 D CA -0.599 53.387 54.000 -0.024 0.000 1.067 201 D CB 0.478 41.260 40.800 -0.030 0.000 1.117 201 D HN -0.011 nan 8.370 nan 0.000 0.578 202 V N -0.657 119.265 119.914 0.013 0.000 2.282 202 V HA -0.282 3.838 4.120 0.001 0.000 0.249 202 V C 2.379 178.499 176.094 0.044 0.000 1.057 202 V CA 2.205 64.523 62.300 0.030 0.000 1.032 202 V CB -0.658 31.181 31.823 0.027 0.000 0.645 202 V HN 0.498 nan 8.190 nan 0.000 0.447 203 M N -0.030 119.590 119.600 0.034 0.000 2.132 203 M HA -0.126 4.355 4.480 0.001 0.000 0.263 203 M C 2.164 178.505 176.300 0.069 0.000 1.065 203 M CA 2.042 57.373 55.300 0.051 0.000 1.122 203 M CB -0.934 31.686 32.600 0.034 0.000 1.365 203 M HN 0.383 nan 8.290 nan 0.000 0.411 204 T N 0.080 114.654 114.554 0.033 0.000 2.788 204 T HA -0.051 4.300 4.350 0.001 0.000 0.268 204 T C 1.780 176.532 174.700 0.088 0.000 1.044 204 T CA 1.397 63.520 62.100 0.038 0.000 1.139 204 T CB -0.545 68.289 68.868 -0.056 0.000 0.867 204 T HN 0.492 nan 8.240 nan 0.000 0.454 205 A N 1.045 123.918 122.820 0.088 0.000 1.969 205 A HA 0.274 4.595 4.320 0.001 0.000 0.218 205 A C 2.497 180.227 177.584 0.244 0.000 1.169 205 A CA 1.638 53.763 52.037 0.147 0.000 0.635 205 A CB -0.742 18.323 19.000 0.108 0.000 0.810 205 A HN 0.510 nan 8.150 nan 0.000 0.445 206 A N -1.035 121.905 122.820 0.201 0.000 1.871 206 A HA 0.223 4.544 4.320 0.001 0.000 0.211 206 A C 2.061 179.842 177.584 0.329 0.000 1.207 206 A CA 1.432 53.616 52.037 0.244 0.000 0.620 206 A CB -0.507 18.579 19.000 0.143 0.000 0.860 206 A HN 0.341 nan 8.150 nan 0.000 0.450 207 V N -0.938 119.096 119.914 0.201 0.000 2.878 207 V HA 0.400 4.520 4.120 0.001 0.000 0.250 207 V C 1.272 177.426 176.094 0.100 0.000 1.075 207 V CA 0.957 63.346 62.300 0.148 0.000 1.096 207 V CB -0.932 30.988 31.823 0.162 0.000 0.724 207 V HN 1.207 nan 8.190 nan 0.000 0.467 208 G N -1.154 107.724 108.800 0.131 0.000 2.555 208 G HA2 -0.152 3.809 3.960 0.001 0.000 0.686 208 G HA3 -0.152 3.809 3.960 0.001 0.000 0.686 208 G C -1.246 173.807 174.900 0.256 0.000 1.275 208 G CA -0.401 44.776 45.100 0.129 0.000 0.871 208 G HN 0.302 nan 8.290 nan 0.000 0.603 209 W N 2.192 123.514 121.300 0.038 0.000 2.331 209 W HA 0.717 5.379 4.660 0.002 0.000 0.306 209 W C 0.060 176.616 176.519 0.061 0.000 1.162 209 W CA -0.811 56.507 57.345 -0.044 0.000 1.232 209 W CB 0.306 29.747 29.460 -0.032 0.000 1.235 209 W HN 0.735 nan 8.180 nan 0.000 0.479 210 F N 4.283 123.867 119.950 -0.609 0.000 2.643 210 F HA 0.976 5.503 4.527 -0.000 0.000 0.314 210 F C -0.125 175.187 175.800 -0.813 0.000 1.096 210 F CA -1.095 56.511 58.000 -0.657 0.000 0.953 210 F CB 1.026 39.787 39.000 -0.399 0.000 1.345 210 F HN 0.507 nan 8.300 nan 0.000 0.468 211 G N -0.005 108.447 108.800 -0.580 0.000 2.921 211 G HA2 0.421 4.382 3.960 0.001 0.000 0.291 211 G HA3 0.421 4.382 3.960 0.001 0.000 0.291 211 G C -1.466 173.403 174.900 -0.051 0.000 1.370 211 G CA -0.320 44.494 45.100 -0.476 0.000 0.847 211 G HN 0.804 nan 8.290 nan 0.000 0.532 212 D N -1.365 119.057 120.400 0.037 0.000 2.369 212 D HA 0.176 4.817 4.640 0.001 0.000 0.211 212 D C 0.422 176.859 176.300 0.227 0.000 1.077 212 D CA 0.046 54.185 54.000 0.232 0.000 0.842 212 D CB 0.469 41.339 40.800 0.116 0.000 0.947 212 D HN 0.175 nan 8.370 nan 0.000 0.509 213 T N 1.053 115.721 114.554 0.189 0.000 2.792 213 T HA 0.460 4.811 4.350 0.001 0.000 0.280 213 T C -0.811 174.005 174.700 0.193 0.000 0.990 213 T CA -0.669 61.555 62.100 0.207 0.000 0.960 213 T CB 1.840 70.891 68.868 0.305 0.000 0.939 213 T HN -0.008 nan 8.240 nan 0.000 0.439 214 L N 4.530 125.874 121.223 0.202 0.000 2.295 214 L HA 0.638 4.979 4.340 0.001 0.000 0.285 214 L C -1.158 175.826 176.870 0.189 0.000 1.035 214 L CA -0.522 54.422 54.840 0.174 0.000 0.806 214 L CB 0.724 42.849 42.059 0.109 0.000 1.214 214 L HN 0.581 nan 8.230 nan 0.000 0.426 215 L N 3.923 125.241 121.223 0.159 0.000 2.334 215 L HA 0.663 5.003 4.340 0.001 0.000 0.273 215 L C -0.458 176.507 176.870 0.157 0.000 1.013 215 L CA -0.585 54.365 54.840 0.183 0.000 0.816 215 L CB 2.064 44.233 42.059 0.184 0.000 1.278 215 L HN 0.518 nan 8.230 nan 0.000 0.431 216 T N 1.177 115.824 114.554 0.155 0.000 2.930 216 T HA 0.224 4.574 4.350 0.001 0.000 0.313 216 T C -0.113 174.638 174.700 0.085 0.000 1.019 216 T CA -0.553 61.613 62.100 0.110 0.000 1.004 216 T CB 0.660 69.595 68.868 0.111 0.000 0.987 216 T HN 0.601 nan 8.240 nan 0.000 0.456 217 N N 2.190 120.929 118.700 0.065 0.000 2.708 217 N HA -0.242 4.499 4.740 0.001 0.000 0.251 217 N C 1.254 176.834 175.510 0.116 0.000 1.017 217 N CA 1.770 54.862 53.050 0.070 0.000 0.742 217 N CB -1.316 37.189 38.487 0.031 0.000 0.943 217 N HN 1.310 nan 8.380 nan 0.000 0.539 218 G N -2.962 105.939 108.800 0.168 0.000 2.176 218 G HA2 -0.105 3.856 3.960 0.001 0.000 0.253 218 G HA3 -0.105 3.856 3.960 0.001 0.000 0.253 218 G C 0.181 175.260 174.900 0.297 0.000 0.979 218 G CA 0.735 45.995 45.100 0.266 0.000 0.641 218 G HN 1.181 nan 8.290 nan 0.000 0.530 219 A N -0.115 122.825 122.820 0.199 0.000 2.325 219 A HA 0.819 5.140 4.320 0.001 0.000 0.333 219 A C 0.177 177.880 177.584 0.199 0.000 1.155 219 A CA -0.664 51.476 52.037 0.171 0.000 0.814 219 A CB 0.833 19.886 19.000 0.088 0.000 1.206 219 A HN 0.685 nan 8.150 nan 0.000 0.482 220 I N 2.129 122.822 120.570 0.205 0.000 2.337 220 I HA 0.117 4.288 4.170 0.001 0.000 0.291 220 I C -0.092 176.166 176.117 0.235 0.000 1.046 220 I CA -0.155 61.281 61.300 0.228 0.000 1.324 220 I CB 0.193 38.321 38.000 0.213 0.000 1.409 220 I HN 0.722 nan 8.210 nan 0.000 0.494 221 Y N 7.722 128.088 120.300 0.109 0.000 2.982 221 Y HA -0.174 4.378 4.550 0.002 0.000 0.192 221 Y C -2.313 173.615 175.900 0.047 0.000 1.397 221 Y CA -0.956 57.190 58.100 0.077 0.000 0.844 221 Y CB -1.339 37.154 38.460 0.055 0.000 1.290 221 Y HN 0.401 nan 8.280 nan 0.000 0.408 222 P HA 0.200 nan 4.420 nan 0.000 0.278 222 P C -1.012 176.110 177.300 -0.297 0.000 1.266 222 P CA -0.334 62.663 63.100 -0.170 0.000 0.807 222 P CB 1.107 32.779 31.700 -0.046 0.000 1.094 223 Q N 0.028 119.688 119.800 -0.233 0.000 2.309 223 Q HA 0.521 4.862 4.340 0.001 0.000 0.264 223 Q C -1.199 174.752 176.000 -0.080 0.000 1.008 223 Q CA -0.760 54.921 55.803 -0.204 0.000 0.853 223 Q CB 1.448 30.054 28.738 -0.221 0.000 1.314 223 Q HN 0.473 nan 8.270 nan 0.000 0.448 224 H N 1.060 120.028 119.070 -0.170 0.000 2.505 224 H HA 0.572 5.129 4.556 0.001 0.000 0.338 224 H C -1.373 173.877 175.328 -0.130 0.000 1.057 224 H CA -0.309 55.656 56.048 -0.139 0.000 1.202 224 H CB 1.719 31.398 29.762 -0.138 0.000 1.466 224 H HN 0.855 nan 8.280 nan 0.000 0.499 225 A N 4.339 126.746 122.820 -0.689 0.000 2.376 225 A HA 0.605 4.926 4.320 0.001 0.000 0.298 225 A C -0.202 177.012 177.584 -0.616 0.000 1.271 225 A CA 0.092 51.832 52.037 -0.494 0.000 0.926 225 A CB -0.741 18.063 19.000 -0.327 0.000 1.141 225 A HN 0.815 nan 8.150 nan 0.000 0.539 226 A N 5.586 128.229 122.820 -0.295 0.000 2.304 226 A HA 0.801 5.121 4.320 0.001 0.000 0.323 226 A C -2.591 174.967 177.584 -0.043 0.000 1.195 226 A CA -1.924 50.057 52.037 -0.094 0.000 0.826 226 A CB 0.639 19.678 19.000 0.065 0.000 1.184 226 A HN 0.606 nan 8.150 nan 0.000 0.496 227 P HA 0.112 nan 4.420 nan 0.000 0.272 227 P C -0.321 176.982 177.300 0.005 0.000 1.223 227 P CA -0.356 62.742 63.100 -0.004 0.000 0.784 227 P CB 0.543 32.250 31.700 0.012 0.000 0.923 228 R N 0.831 121.324 120.500 -0.012 0.000 2.537 228 R HA 0.418 4.758 4.340 0.001 0.000 0.280 228 R C 0.796 177.063 176.300 -0.055 0.000 1.058 228 R CA 1.329 57.410 56.100 -0.033 0.000 1.057 228 R CB -0.531 29.746 30.300 -0.038 0.000 0.973 228 R HN 0.872 nan 8.270 nan 0.000 0.438 229 G N 3.268 111.993 108.800 -0.125 0.000 2.295 229 G HA2 -0.187 3.774 3.960 0.001 0.000 0.195 229 G HA3 -0.187 3.774 3.960 0.001 0.000 0.195 229 G C -1.541 173.202 174.900 -0.261 0.000 1.269 229 G CA -0.531 44.439 45.100 -0.217 0.000 1.170 229 G HN 0.609 nan 8.290 nan 0.000 0.511 230 W N 0.036 121.350 121.300 0.022 0.000 2.315 230 W HA 0.656 5.316 4.660 0.001 0.000 0.316 230 W C 0.180 176.729 176.519 0.050 0.000 1.211 230 W CA -0.462 56.900 57.345 0.028 0.000 1.201 230 W CB 1.491 30.951 29.460 0.001 0.000 1.184 230 W HN 0.486 nan 8.180 nan 0.000 0.544 231 L N 4.436 125.871 121.223 0.355 0.000 2.333 231 L HA 0.503 4.844 4.340 0.001 0.000 0.280 231 L C -0.431 176.562 176.870 0.205 0.000 1.004 231 L CA -1.338 53.642 54.840 0.233 0.000 0.820 231 L CB 1.251 43.438 42.059 0.213 0.000 1.247 231 L HN 0.463 nan 8.230 nan 0.000 0.416 232 R N 5.666 126.239 120.500 0.121 0.000 2.255 232 R HA 0.648 4.988 4.340 0.001 0.000 0.326 232 R C -1.656 174.645 176.300 0.002 0.000 0.986 232 R CA -0.550 55.593 56.100 0.072 0.000 0.847 232 R CB 0.663 31.000 30.300 0.062 0.000 1.111 232 R HN 0.787 nan 8.270 nan 0.000 0.452 233 L N 5.434 126.653 121.223 -0.007 0.000 2.313 233 L HA 0.525 4.865 4.340 0.001 0.000 0.283 233 L C 0.045 176.877 176.870 -0.063 0.000 1.013 233 L CA -0.849 53.944 54.840 -0.078 0.000 0.816 233 L CB 1.908 43.907 42.059 -0.099 0.000 1.236 233 L HN 0.551 nan 8.230 nan 0.000 0.419 234 R N 4.392 124.842 120.500 -0.083 0.000 2.287 234 R HA 0.464 4.805 4.340 0.001 0.000 0.327 234 R C -0.952 175.293 176.300 -0.092 0.000 1.109 234 R CA -0.420 55.656 56.100 -0.039 0.000 1.013 234 R CB 0.522 30.834 30.300 0.021 0.000 1.126 234 R HN 0.504 nan 8.270 nan 0.000 0.503 235 L N 4.285 125.446 121.223 -0.103 0.000 2.290 235 L HA 0.356 4.697 4.340 0.001 0.000 0.284 235 L C -0.449 176.352 176.870 -0.114 0.000 1.078 235 L CA -0.731 53.999 54.840 -0.183 0.000 0.815 235 L CB 0.794 42.677 42.059 -0.294 0.000 1.162 235 L HN 0.322 nan 8.230 nan 0.000 0.435 236 L N 4.267 125.397 121.223 -0.155 0.000 2.381 236 L HA 0.445 4.786 4.340 0.001 0.000 0.274 236 L C -0.411 176.345 176.870 -0.190 0.000 0.988 236 L CA -0.302 54.380 54.840 -0.263 0.000 0.824 236 L CB 1.544 43.350 42.059 -0.422 0.000 1.263 236 L HN 0.444 nan 8.230 nan 0.000 0.410 237 N N 3.303 121.897 118.700 -0.176 0.000 2.448 237 N HA 0.293 5.034 4.740 0.001 0.000 0.250 237 N C 0.660 175.967 175.510 -0.338 0.000 1.136 237 N CA 0.376 53.349 53.050 -0.128 0.000 0.953 237 N CB 1.222 39.685 38.487 -0.040 0.000 1.251 237 N HN 0.852 nan 8.380 nan 0.000 0.502 238 G N 2.244 110.865 108.800 -0.298 0.000 3.371 238 G HA2 0.062 4.023 3.960 0.001 0.000 0.248 238 G HA3 0.062 4.023 3.960 0.001 0.000 0.248 238 G C 0.383 175.241 174.900 -0.071 0.000 1.161 238 G CA -0.215 44.690 45.100 -0.325 0.000 0.796 238 G HN 0.579 nan 8.290 nan 0.000 0.539 239 C N 0.436 119.710 119.300 -0.044 0.000 2.657 239 C HA 0.162 4.623 4.460 0.001 0.000 0.404 239 C C 1.848 176.899 174.990 0.102 0.000 1.291 239 C CA -0.504 58.530 59.018 0.025 0.000 2.218 239 C CB 0.764 28.480 27.740 -0.041 0.000 2.687 239 C HN 0.468 nan 8.230 nan 0.000 0.634 240 N N 0.931 119.742 118.700 0.184 0.000 2.120 240 N HA -0.056 4.685 4.740 0.001 0.000 0.188 240 N C 1.290 176.897 175.510 0.161 0.000 1.024 240 N CA 1.899 55.079 53.050 0.217 0.000 0.852 240 N CB -0.056 38.651 38.487 0.368 0.000 1.003 240 N HN 0.849 nan 8.380 nan 0.000 0.424 241 A N -1.241 121.644 122.820 0.108 0.000 2.480 241 A HA 0.194 4.514 4.320 0.001 0.000 0.191 241 A C 0.629 178.179 177.584 -0.057 0.000 1.503 241 A CA -0.394 51.662 52.037 0.032 0.000 1.110 241 A CB 0.306 19.340 19.000 0.056 0.000 1.401 241 A HN 0.102 nan 8.150 nan 0.000 0.533 242 R N 2.006 122.449 120.500 -0.095 0.000 2.234 242 R HA 0.414 4.755 4.340 0.001 0.000 0.324 242 R C 0.006 176.201 176.300 -0.174 0.000 1.054 242 R CA 0.575 56.550 56.100 -0.208 0.000 0.912 242 R CB 0.545 30.656 30.300 -0.315 0.000 1.030 242 R HN 0.421 nan 8.270 nan 0.000 0.455 243 S N 4.459 120.056 115.700 -0.172 0.000 2.603 243 S HA 0.418 4.889 4.470 0.001 0.000 0.268 243 S C 0.073 174.548 174.600 -0.209 0.000 1.317 243 S CA -0.703 57.413 58.200 -0.140 0.000 1.012 243 S CB 1.084 64.227 63.200 -0.095 0.000 0.926 243 S HN 0.538 nan 8.310 nan 0.000 0.539 244 L N 1.016 122.100 121.223 -0.233 0.000 2.303 244 L HA 0.643 4.983 4.340 0.001 0.000 0.256 244 L C -0.694 175.925 176.870 -0.418 0.000 1.034 244 L CA -0.936 53.667 54.840 -0.395 0.000 0.832 244 L CB 1.980 43.679 42.059 -0.600 0.000 1.403 244 L HN 0.754 nan 8.230 nan 0.000 0.419 245 N N 0.647 119.040 118.700 -0.512 0.000 2.594 245 N HA 0.362 5.103 4.740 0.001 0.000 0.280 245 N C -1.567 173.751 175.510 -0.320 0.000 1.156 245 N CA -0.354 52.489 53.050 -0.344 0.000 0.831 245 N CB 0.694 39.081 38.487 -0.167 0.000 1.379 245 N HN 0.236 nan 8.380 nan 0.000 0.536 246 F N 1.866 121.805 119.950 -0.019 0.000 2.399 246 F HA 0.745 5.273 4.527 0.002 0.000 0.342 246 F C 1.146 176.938 175.800 -0.014 0.000 1.106 246 F CA -0.062 57.937 58.000 -0.002 0.000 1.196 246 F CB 1.269 40.269 39.000 0.000 0.000 1.163 246 F HN 0.503 nan 8.300 nan 0.000 0.547 247 A N 0.735 123.684 122.820 0.215 0.000 2.568 247 A HA 0.771 5.092 4.320 0.001 0.000 0.291 247 A C -0.672 177.006 177.584 0.157 0.000 1.159 247 A CA -0.547 51.563 52.037 0.123 0.000 0.679 247 A CB 1.056 20.090 19.000 0.057 0.000 1.285 247 A HN 0.684 nan 8.150 nan 0.000 0.428 248 T N -1.699 112.923 114.554 0.114 0.000 2.925 248 T HA 0.517 4.867 4.350 0.001 0.000 0.285 248 T C 1.127 175.902 174.700 0.125 0.000 1.021 248 T CA 0.285 62.484 62.100 0.166 0.000 1.042 248 T CB 1.334 70.239 68.868 0.062 0.000 1.037 248 T HN 1.578 nan 8.240 nan 0.000 0.481 249 S N 0.688 116.499 115.700 0.184 0.000 2.423 249 S HA -0.125 4.346 4.470 0.001 0.000 0.231 249 S C 1.050 175.692 174.600 0.070 0.000 1.014 249 S CA 1.056 59.329 58.200 0.121 0.000 0.965 249 S CB -0.616 62.671 63.200 0.146 0.000 0.785 249 S HN 0.917 nan 8.310 nan 0.000 0.495 250 D N 0.435 120.863 120.400 0.048 0.000 2.424 250 D HA 0.157 4.798 4.640 0.001 0.000 0.220 250 D C 0.016 176.292 176.300 -0.040 0.000 1.150 250 D CA -0.394 53.603 54.000 -0.003 0.000 0.831 250 D CB -0.955 39.837 40.800 -0.014 0.000 0.981 250 D HN 0.266 nan 8.370 nan 0.000 0.500 251 N N 0.865 119.544 118.700 -0.035 0.000 2.782 251 N HA -0.199 4.542 4.740 0.001 0.000 0.251 251 N C -0.326 175.138 175.510 -0.077 0.000 1.101 251 N CA 0.765 53.788 53.050 -0.045 0.000 0.764 251 N CB -1.441 37.026 38.487 -0.033 0.000 1.122 251 N HN 0.653 nan 8.380 nan 0.000 0.561 252 R N 0.764 121.189 120.500 -0.126 0.000 2.590 252 R HA 0.374 4.715 4.340 0.001 0.000 0.274 252 R C -2.393 173.840 176.300 -0.112 0.000 1.061 252 R CA -0.892 55.122 56.100 -0.143 0.000 1.081 252 R CB 0.204 30.345 30.300 -0.264 0.000 0.984 252 R HN -0.060 nan 8.270 nan 0.000 0.448 253 P HA 0.117 nan 4.420 nan 0.000 0.274 253 P C -0.689 176.513 177.300 -0.162 0.000 1.246 253 P CA -0.366 62.620 63.100 -0.189 0.000 0.795 253 P CB 0.785 32.282 31.700 -0.339 0.000 1.006 254 L N 1.564 122.656 121.223 -0.218 0.000 2.317 254 L HA 0.383 4.724 4.340 0.001 0.000 0.281 254 L C -0.260 176.434 176.870 -0.293 0.000 1.024 254 L CA -0.876 53.894 54.840 -0.117 0.000 0.810 254 L CB 0.727 42.745 42.059 -0.068 0.000 1.240 254 L HN 0.325 nan 8.230 nan 0.000 0.427 255 Y N 2.070 122.366 120.300 -0.007 0.000 2.417 255 Y HA 0.312 4.863 4.550 0.002 0.000 0.336 255 Y C 0.126 175.993 175.900 -0.054 0.000 0.961 255 Y CA -0.736 57.331 58.100 -0.055 0.000 1.215 255 Y CB 1.355 39.742 38.460 -0.123 0.000 1.120 255 Y HN 0.185 nan 8.280 nan 0.000 0.499 256 V N 5.990 125.924 119.914 0.034 0.000 2.508 256 V HA 0.034 4.154 4.120 0.001 0.000 0.281 256 V C 1.079 177.235 176.094 0.102 0.000 1.041 256 V CA 0.115 62.450 62.300 0.059 0.000 1.016 256 V CB 0.459 32.293 31.823 0.018 0.000 0.984 256 V HN 0.870 nan 8.190 nan 0.000 0.478 257 I N 1.749 122.384 120.570 0.108 0.000 4.187 257 I HA 0.759 4.930 4.170 0.001 0.000 0.326 257 I C 0.678 176.864 176.117 0.115 0.000 1.302 257 I CA 0.186 61.537 61.300 0.084 0.000 1.196 257 I CB 0.510 38.530 38.000 0.033 0.000 1.095 257 I HN 0.539 nan 8.210 nan 0.000 0.411 258 A N 0.836 123.753 122.820 0.162 0.000 2.604 258 A HA 0.775 5.096 4.320 0.001 0.000 0.295 258 A C -0.347 177.353 177.584 0.193 0.000 1.067 258 A CA 0.046 52.176 52.037 0.155 0.000 0.683 258 A CB 1.229 20.292 19.000 0.105 0.000 1.281 258 A HN 0.326 nan 8.150 nan 0.000 0.407 259 S N -0.083 115.668 115.700 0.084 0.000 2.795 259 S HA 0.546 5.017 4.470 0.001 0.000 0.308 259 S C 0.218 174.702 174.600 -0.193 0.000 1.098 259 S CA 0.010 58.097 58.200 -0.187 0.000 0.934 259 S CB 0.422 63.574 63.200 -0.080 0.000 1.300 259 S HN 0.533 nan 8.310 nan 0.000 0.566 260 D N 1.408 121.639 120.400 -0.281 0.000 2.154 260 D HA -0.074 4.567 4.640 0.001 0.000 0.190 260 D C 1.701 177.991 176.300 -0.016 0.000 1.003 260 D CA 2.071 55.989 54.000 -0.136 0.000 0.849 260 D CB -0.950 39.792 40.800 -0.098 0.000 0.942 260 D HN 0.763 nan 8.370 nan 0.000 0.446 261 G N -1.080 107.741 108.800 0.034 0.000 3.189 261 G HA2 0.456 4.417 3.960 0.001 0.000 0.225 261 G HA3 0.456 4.417 3.960 0.001 0.000 0.225 261 G C 0.648 175.590 174.900 0.070 0.000 1.159 261 G CA 0.502 45.636 45.100 0.056 0.000 0.763 261 G HN 0.655 nan 8.290 nan 0.000 0.549 262 G N -0.558 108.312 108.800 0.116 0.000 2.302 262 G HA2 0.030 3.991 3.960 0.001 0.000 0.276 262 G HA3 0.030 3.991 3.960 0.001 0.000 0.276 262 G C -0.673 174.325 174.900 0.164 0.000 1.316 262 G CA -1.037 44.134 45.100 0.119 0.000 0.988 262 G HN 0.342 nan 8.290 nan 0.000 0.479 263 L N 0.833 122.145 121.223 0.148 0.000 2.485 263 L HA 0.315 4.656 4.340 0.001 0.000 0.275 263 L C 1.038 177.999 176.870 0.151 0.000 1.207 263 L CA -0.241 54.676 54.840 0.130 0.000 0.855 263 L CB 0.171 42.289 42.059 0.098 0.000 1.114 263 L HN 0.418 nan 8.230 nan 0.000 0.485 264 L N 4.015 125.307 121.223 0.116 0.000 2.466 264 L HA 0.176 4.517 4.340 0.001 0.000 0.257 264 L C -1.229 175.680 176.870 0.066 0.000 1.189 264 L CA -1.540 53.352 54.840 0.087 0.000 0.813 264 L CB 0.169 42.286 42.059 0.096 0.000 1.118 264 L HN 0.451 nan 8.230 nan 0.000 0.471 265 P HA -0.123 nan 4.420 nan 0.000 0.217 265 P C -0.385 176.933 177.300 0.029 0.000 1.150 265 P CA 1.260 64.380 63.100 0.033 0.000 0.832 265 P CB 0.126 31.834 31.700 0.014 0.000 0.787 266 E N -2.287 117.931 120.200 0.031 0.000 2.430 266 E HA 0.483 4.833 4.350 0.001 0.000 0.279 266 E C -3.254 173.368 176.600 0.038 0.000 1.003 266 E CA -2.823 53.591 56.400 0.024 0.000 0.801 266 E CB 0.963 30.674 29.700 0.019 0.000 1.313 266 E HN -0.240 nan 8.360 nan 0.000 0.459 267 P HA 0.086 nan 4.420 nan 0.000 0.269 267 P C -0.814 176.537 177.300 0.085 0.000 1.209 267 P CA -0.318 62.818 63.100 0.059 0.000 0.776 267 P CB 0.641 32.364 31.700 0.039 0.000 0.876 268 V N 3.633 123.596 119.914 0.082 0.000 2.378 268 V HA 0.253 4.374 4.120 0.001 0.000 0.288 268 V C 0.369 176.441 176.094 -0.037 0.000 1.016 268 V CA -0.706 61.620 62.300 0.044 0.000 0.840 268 V CB 1.205 33.070 31.823 0.069 0.000 0.994 268 V HN 0.439 nan 8.190 nan 0.000 0.431 269 K N 4.507 124.860 120.400 -0.078 0.000 2.339 269 K HA 0.593 4.913 4.320 0.001 0.000 0.286 269 K C -0.598 175.850 176.600 -0.253 0.000 1.050 269 K CA -0.248 55.858 56.287 -0.302 0.000 0.956 269 K CB 1.164 33.501 32.500 -0.273 0.000 0.990 269 K HN 0.646 nan 8.250 nan 0.000 0.475 270 V N 0.361 120.086 119.914 -0.315 0.000 3.007 270 V HA 0.367 4.487 4.120 0.001 0.000 0.311 270 V C 0.139 176.101 176.094 -0.220 0.000 1.120 270 V CA -0.713 61.436 62.300 -0.253 0.000 0.980 270 V CB 1.954 33.578 31.823 -0.332 0.000 1.033 270 V HN 0.746 nan 8.190 nan 0.000 0.429 271 S N 1.337 116.944 115.700 -0.155 0.000 2.486 271 S HA 0.195 4.666 4.470 0.001 0.000 0.220 271 S C 0.360 174.909 174.600 -0.085 0.000 1.011 271 S CA 0.732 58.864 58.200 -0.112 0.000 0.921 271 S CB -0.251 62.900 63.200 -0.081 0.000 0.785 271 S HN 0.997 nan 8.310 nan 0.000 0.517 272 E N 0.185 120.324 120.200 -0.103 0.000 2.390 272 E HA 0.582 4.932 4.350 0.001 0.000 0.277 272 E C -1.630 174.889 176.600 -0.135 0.000 0.939 272 E CA -0.976 55.377 56.400 -0.078 0.000 0.769 272 E CB 1.399 31.066 29.700 -0.055 0.000 1.251 272 E HN 0.011 nan 8.360 nan 0.000 0.450 273 L N 2.238 123.403 121.223 -0.096 0.000 2.492 273 L HA 0.466 4.807 4.340 0.001 0.000 0.258 273 L C -2.913 173.910 176.870 -0.077 0.000 1.028 273 L CA -1.823 52.916 54.840 -0.168 0.000 0.900 273 L CB 1.386 43.348 42.059 -0.162 0.000 1.191 273 L HN 0.394 nan 8.230 nan 0.000 0.459 274 P HA 0.184 nan 4.420 nan 0.000 0.265 274 P C -1.150 176.179 177.300 0.048 0.000 1.193 274 P CA 0.156 63.236 63.100 -0.033 0.000 0.765 274 P CB 0.885 32.591 31.700 0.010 0.000 0.823 275 V N 4.995 124.947 119.914 0.063 0.000 2.524 275 V HA 0.262 4.382 4.120 0.001 0.000 0.297 275 V C 0.271 176.431 176.094 0.109 0.000 1.035 275 V CA -0.586 61.850 62.300 0.226 0.000 0.867 275 V CB 1.330 33.382 31.823 0.381 0.000 1.004 275 V HN 0.380 nan 8.190 nan 0.000 0.426 276 L N 3.649 124.957 121.223 0.143 0.000 2.475 276 L HA 0.478 4.819 4.340 0.001 0.000 0.253 276 L C 0.305 177.191 176.870 0.028 0.000 1.198 276 L CA -0.710 54.178 54.840 0.080 0.000 0.814 276 L CB 0.547 42.681 42.059 0.125 0.000 1.134 276 L HN 0.487 nan 8.230 nan 0.000 0.478 277 M N 1.375 120.989 119.600 0.023 0.000 2.269 277 M HA 0.187 4.668 4.480 0.001 0.000 0.350 277 M C 1.009 177.227 176.300 -0.136 0.000 1.429 277 M CA 1.139 56.432 55.300 -0.011 0.000 1.063 277 M CB -0.067 32.597 32.600 0.106 0.000 1.841 277 M HN 0.808 nan 8.290 nan 0.000 0.455 278 G N 1.366 109.983 108.800 -0.305 0.000 2.217 278 G HA2 -0.206 3.755 3.960 0.001 0.000 0.246 278 G HA3 -0.206 3.755 3.960 0.001 0.000 0.246 278 G C 0.078 174.724 174.900 -0.423 0.000 0.990 278 G CA -0.147 44.667 45.100 -0.477 0.000 0.627 278 G HN 0.637 nan 8.290 nan 0.000 0.522 279 E N 0.398 120.448 120.200 -0.250 0.000 2.366 279 E HA 0.572 4.923 4.350 0.001 0.000 0.266 279 E C 0.316 176.761 176.600 -0.258 0.000 1.051 279 E CA -0.179 56.107 56.400 -0.190 0.000 0.884 279 E CB 0.527 30.202 29.700 -0.042 0.000 1.006 279 E HN 0.290 nan 8.360 nan 0.000 0.417 280 R N 1.353 121.664 120.500 -0.315 0.000 2.740 280 R HA 0.555 4.895 4.340 0.001 0.000 0.282 280 R C -1.247 174.785 176.300 -0.448 0.000 0.969 280 R CA -0.464 55.482 56.100 -0.256 0.000 0.918 280 R CB 1.007 31.202 30.300 -0.176 0.000 1.175 280 R HN 0.341 nan 8.270 nan 0.000 0.464 281 F N -0.016 119.940 119.950 0.009 0.000 2.578 281 F HA 0.393 4.921 4.527 0.001 0.000 0.311 281 F C -0.152 175.647 175.800 -0.001 0.000 1.094 281 F CA -0.746 57.276 58.000 0.037 0.000 0.923 281 F CB 2.370 41.413 39.000 0.072 0.000 1.230 281 F HN 0.324 nan 8.300 nan 0.000 0.450 282 E N 2.397 122.718 120.200 0.201 0.000 2.166 282 E HA 0.634 4.985 4.350 0.001 0.000 0.275 282 E C -1.159 175.509 176.600 0.114 0.000 0.941 282 E CA -0.959 55.509 56.400 0.113 0.000 0.784 282 E CB 2.513 32.264 29.700 0.086 0.000 1.115 282 E HN 0.418 nan 8.360 nan 0.000 0.399 283 V N 0.388 120.344 119.914 0.070 0.000 2.914 283 V HA 0.587 4.707 4.120 0.001 0.000 0.314 283 V C -0.961 175.186 176.094 0.088 0.000 1.084 283 V CA -1.131 61.213 62.300 0.073 0.000 0.963 283 V CB 1.456 33.307 31.823 0.047 0.000 1.025 283 V HN 0.413 nan 8.190 nan 0.000 0.432 284 L N 3.368 124.661 121.223 0.117 0.000 2.317 284 L HA 0.818 5.158 4.340 0.001 0.000 0.281 284 L C -0.118 176.982 176.870 0.383 0.000 1.024 284 L CA -0.092 54.851 54.840 0.171 0.000 0.810 284 L CB 1.641 43.646 42.059 -0.091 0.000 1.240 284 L HN 0.767 nan 8.230 nan 0.000 0.427 285 V N 3.027 123.224 119.914 0.471 0.000 2.876 285 V HA 0.469 4.589 4.120 0.001 0.000 0.312 285 V C -0.592 175.769 176.094 0.445 0.000 1.085 285 V CA -0.638 61.947 62.300 0.475 0.000 0.945 285 V CB 2.181 34.198 31.823 0.324 0.000 1.017 285 V HN 0.873 nan 8.190 nan 0.000 0.428 286 E N 3.794 124.110 120.200 0.193 0.000 2.289 286 E HA 0.515 4.866 4.350 0.001 0.000 0.278 286 E C -1.441 175.101 176.600 -0.097 0.000 1.032 286 E CA -0.385 55.867 56.400 -0.246 0.000 0.854 286 E CB 1.519 30.973 29.700 -0.410 0.000 1.046 286 E HN 0.554 nan 8.360 nan 0.000 0.409 287 V N 5.217 125.078 119.914 -0.087 0.000 2.378 287 V HA 0.313 4.433 4.120 0.001 0.000 0.288 287 V C -0.753 175.318 176.094 -0.040 0.000 1.016 287 V CA -0.826 61.508 62.300 0.058 0.000 0.840 287 V CB 1.176 33.069 31.823 0.117 0.000 0.994 287 V HN 0.711 nan 8.190 nan 0.000 0.431 288 N N 2.830 121.523 118.700 -0.012 0.000 2.314 288 N HA 0.543 5.284 4.740 0.001 0.000 0.304 288 N C -1.169 174.345 175.510 0.008 0.000 1.073 288 N CA -0.969 52.060 53.050 -0.035 0.000 0.822 288 N CB 1.596 40.046 38.487 -0.061 0.000 1.280 288 N HN 0.499 nan 8.380 nan 0.000 0.489 289 D N 0.552 120.948 120.400 -0.008 0.000 2.360 289 D HA 0.148 4.788 4.640 0.001 0.000 0.242 289 D C 0.175 176.479 176.300 0.007 0.000 1.184 289 D CA 0.344 54.344 54.000 0.000 0.000 0.930 289 D CB 0.197 40.990 40.800 -0.012 0.000 1.161 289 D HN 0.465 nan 8.370 nan 0.000 0.447 290 N N -0.152 118.553 118.700 0.008 0.000 2.708 290 N HA -0.253 4.488 4.740 0.001 0.000 0.249 290 N C -0.783 174.742 175.510 0.026 0.000 1.097 290 N CA 0.936 53.992 53.050 0.011 0.000 0.710 290 N CB -0.675 37.813 38.487 0.003 0.000 1.032 290 N HN 0.236 nan 8.380 nan 0.000 0.551 291 K N -0.695 119.735 120.400 0.051 0.000 3.088 291 K HA 0.260 4.581 4.320 0.001 0.000 0.193 291 K C -2.878 173.826 176.600 0.173 0.000 1.176 291 K CA -1.312 55.027 56.287 0.086 0.000 0.907 291 K CB 1.087 33.624 32.500 0.062 0.000 1.139 291 K HN -0.103 nan 8.250 nan 0.000 0.597 292 P HA 0.292 nan 4.420 nan 0.000 0.272 292 P C -0.647 176.800 177.300 0.244 0.000 1.230 292 P CA -0.165 63.003 63.100 0.113 0.000 0.788 292 P CB 0.357 32.068 31.700 0.019 0.000 0.949 293 F N -1.654 118.318 119.950 0.037 0.000 2.686 293 F HA 0.590 5.118 4.527 0.001 0.000 0.311 293 F C -1.306 174.544 175.800 0.082 0.000 1.128 293 F CA -1.292 56.739 58.000 0.051 0.000 0.946 293 F CB 0.672 39.696 39.000 0.041 0.000 1.336 293 F HN -0.013 nan 8.300 nan 0.000 0.457 294 D N 1.913 122.439 120.400 0.209 0.000 2.163 294 D HA 0.381 5.022 4.640 0.001 0.000 0.248 294 D C -0.835 175.618 176.300 0.255 0.000 1.035 294 D CA -0.242 53.852 54.000 0.158 0.000 0.872 294 D CB 2.293 43.206 40.800 0.188 0.000 1.183 294 D HN 0.677 nan 8.370 nan 0.000 0.445 295 L N 3.069 124.400 121.223 0.181 0.000 2.410 295 L HA 0.253 4.594 4.340 0.001 0.000 0.273 295 L C -0.381 176.635 176.870 0.244 0.000 1.144 295 L CA -0.013 54.965 54.840 0.229 0.000 0.863 295 L CB 0.545 42.694 42.059 0.150 0.000 1.140 295 L HN 0.238 nan 8.230 nan 0.000 0.463 296 V N 1.692 121.756 119.914 0.250 0.000 3.113 296 V HA 0.762 4.883 4.120 0.001 0.000 0.316 296 V C -0.267 175.968 176.094 0.235 0.000 1.125 296 V CA -0.492 61.936 62.300 0.213 0.000 1.026 296 V CB 1.765 33.664 31.823 0.127 0.000 1.080 296 V HN 0.828 nan 8.190 nan 0.000 0.444 297 T N 2.374 117.022 114.554 0.156 0.000 2.807 297 T HA 0.659 5.010 4.350 0.001 0.000 0.279 297 T C -0.628 174.088 174.700 0.026 0.000 0.993 297 T CA -0.516 61.583 62.100 -0.002 0.000 0.970 297 T CB 0.588 69.388 68.868 -0.113 0.000 0.950 297 T HN 0.725 nan 8.240 nan 0.000 0.441 298 L N 5.963 127.166 121.223 -0.032 0.000 2.375 298 L HA 0.455 4.796 4.340 0.001 0.000 0.271 298 L C -1.983 174.878 176.870 -0.014 0.000 1.107 298 L CA -2.468 52.366 54.840 -0.010 0.000 0.806 298 L CB 0.796 42.841 42.059 -0.025 0.000 1.146 298 L HN 0.475 nan 8.230 nan 0.000 0.447 299 P HA -0.020 nan 4.420 nan 0.000 0.262 299 P C -0.566 176.712 177.300 -0.037 0.000 1.182 299 P CA -0.041 63.063 63.100 0.006 0.000 0.761 299 P CB 0.488 32.194 31.700 0.010 0.000 0.795 300 V N 0.367 120.243 119.914 -0.064 0.000 2.966 300 V HA 0.570 4.691 4.120 0.001 0.000 0.317 300 V C 0.220 176.267 176.094 -0.078 0.000 1.070 300 V CA -0.764 61.486 62.300 -0.083 0.000 1.008 300 V CB 1.921 33.672 31.823 -0.120 0.000 1.070 300 V HN 0.420 nan 8.190 nan 0.000 0.457 301 S N 2.353 118.012 115.700 -0.068 0.000 2.592 301 S HA 0.463 4.934 4.470 0.001 0.000 0.305 301 S C -0.432 174.121 174.600 -0.077 0.000 1.118 301 S CA -0.268 57.895 58.200 -0.062 0.000 1.075 301 S CB -0.969 62.206 63.200 -0.041 0.000 1.107 301 S HN 0.978 nan 8.310 nan 0.000 0.503 302 Q N 3.955 123.692 119.800 -0.105 0.000 2.468 302 Q HA 0.244 4.585 4.340 0.001 0.000 0.263 302 Q C -1.143 174.755 176.000 -0.169 0.000 0.979 302 Q CA -0.702 55.023 55.803 -0.130 0.000 0.932 302 Q CB 1.290 29.936 28.738 -0.154 0.000 1.462 302 Q HN 0.693 nan 8.270 nan 0.000 0.403 303 M N 3.352 122.865 119.600 -0.144 0.000 2.338 303 M HA 0.186 4.667 4.480 0.001 0.000 0.360 303 M C 1.043 177.168 176.300 -0.291 0.000 1.547 303 M CA 2.648 57.858 55.300 -0.149 0.000 1.001 303 M CB -0.266 32.286 32.600 -0.079 0.000 2.008 303 M HN 0.910 nan 8.290 nan 0.000 0.464 304 G N 4.119 112.722 108.800 -0.329 0.000 2.268 304 G HA2 -0.243 3.718 3.960 0.001 0.000 0.240 304 G HA3 -0.243 3.718 3.960 0.001 0.000 0.240 304 G C 0.600 175.014 174.900 -0.811 0.000 1.010 304 G CA 0.401 45.113 45.100 -0.647 0.000 0.618 304 G HN 0.604 nan 8.290 nan 0.000 0.516 305 M N 0.590 119.848 119.600 -0.570 0.000 2.541 305 M HA 0.505 4.986 4.480 0.001 0.000 0.252 305 M C 2.233 178.396 176.300 -0.228 0.000 1.125 305 M CA 1.100 56.105 55.300 -0.492 0.000 1.091 305 M CB -0.337 32.011 32.600 -0.419 0.000 1.420 305 M HN 0.792 nan 8.290 nan 0.000 0.486 306 A N 0.289 123.027 122.820 -0.137 0.000 2.500 306 A HA 0.407 4.727 4.320 0.001 0.000 0.267 306 A C 0.717 178.311 177.584 0.017 0.000 1.290 306 A CA -0.370 51.652 52.037 -0.024 0.000 0.928 306 A CB -0.322 18.657 19.000 -0.035 0.000 1.066 306 A HN 0.307 nan 8.150 nan 0.000 0.516 307 I N 1.218 121.800 120.570 0.019 0.000 2.575 307 I HA 0.284 4.455 4.170 0.001 0.000 0.285 307 I C 1.142 177.337 176.117 0.129 0.000 1.085 307 I CA -0.405 60.935 61.300 0.067 0.000 1.403 307 I CB 1.316 39.370 38.000 0.091 0.000 1.409 307 I HN 0.310 nan 8.210 nan 0.000 0.557 308 A N 8.561 131.432 122.820 0.085 0.000 2.587 308 A HA 0.111 4.431 4.320 0.001 0.000 0.233 308 A C -1.414 176.232 177.584 0.103 0.000 1.049 308 A CA -0.593 51.482 52.037 0.063 0.000 0.754 308 A CB -0.448 18.566 19.000 0.023 0.000 0.977 308 A HN 0.674 nan 8.150 nan 0.000 0.509 309 P HA 0.119 nan 4.420 nan 0.000 0.257 309 P C 0.015 177.185 177.300 -0.217 0.000 1.281 309 P CA 0.555 63.582 63.100 -0.123 0.000 0.826 309 P CB 0.011 31.589 31.700 -0.204 0.000 1.237 310 F N 1.261 121.246 119.950 0.057 0.000 2.645 310 F HA 0.071 4.598 4.527 -0.000 0.000 0.300 310 F C 1.592 177.386 175.800 -0.010 0.000 1.115 310 F CA -0.058 57.955 58.000 0.021 0.000 1.355 310 F CB -0.178 38.785 39.000 -0.062 0.000 1.026 310 F HN -0.071 nan 8.300 nan 0.000 0.536 311 D N -0.358 120.099 120.400 0.095 0.000 2.355 311 D HA -0.030 4.611 4.640 0.001 0.000 0.218 311 D C 0.341 176.652 176.300 0.018 0.000 1.004 311 D CA 0.498 54.525 54.000 0.044 0.000 0.880 311 D CB 0.131 40.945 40.800 0.023 0.000 0.911 311 D HN 0.231 nan 8.370 nan 0.000 0.528 312 K N -0.165 120.241 120.400 0.010 0.000 2.466 312 K HA 0.498 4.818 4.320 0.001 0.000 0.260 312 K C -2.886 173.716 176.600 0.005 0.000 1.011 312 K CA -2.276 54.004 56.287 -0.011 0.000 0.871 312 K CB 1.853 34.325 32.500 -0.046 0.000 1.404 312 K HN -0.237 nan 8.250 nan 0.000 0.450 313 P HA -0.061 nan 4.420 nan 0.000 0.265 313 P C -1.201 176.096 177.300 -0.006 0.000 1.193 313 P CA 0.335 63.444 63.100 0.015 0.000 0.765 313 P CB 0.334 32.034 31.700 -0.001 0.000 0.823 314 H N 4.697 123.734 119.070 -0.056 0.000 2.589 314 H HA 0.322 4.878 4.556 0.001 0.000 0.335 314 H C -2.492 172.800 175.328 -0.060 0.000 1.019 314 H CA -2.493 53.484 56.048 -0.118 0.000 1.213 314 H CB 1.430 31.088 29.762 -0.172 0.000 1.472 314 H HN 0.222 nan 8.280 nan 0.000 0.508 315 P HA -0.049 nan 4.420 nan 0.000 0.267 315 P C 0.463 177.903 177.300 0.234 0.000 1.200 315 P CA 0.025 63.102 63.100 -0.037 0.000 0.772 315 P CB 1.732 33.123 31.700 -0.515 0.000 0.855 316 V N 2.194 122.286 119.914 0.297 0.000 2.911 316 V HA 0.196 4.317 4.120 0.001 0.000 0.237 316 V C 0.925 177.220 176.094 0.334 0.000 1.156 316 V CA 1.272 63.770 62.300 0.330 0.000 1.180 316 V CB -0.356 31.667 31.823 0.333 0.000 0.932 316 V HN 0.637 nan 8.190 nan 0.000 0.483 317 M N -0.933 118.853 119.600 0.311 0.000 2.694 317 M HA 0.564 5.044 4.480 0.001 0.000 0.276 317 M C -0.939 175.431 176.300 0.116 0.000 1.167 317 M CA -0.715 54.690 55.300 0.175 0.000 0.849 317 M CB 2.274 34.896 32.600 0.038 0.000 1.705 317 M HN -0.067 nan 8.290 nan 0.000 0.504 318 R N 1.272 121.713 120.500 -0.098 0.000 2.368 318 R HA 0.792 5.133 4.340 0.001 0.000 0.302 318 R C -1.718 174.439 176.300 -0.239 0.000 1.002 318 R CA -0.360 55.651 56.100 -0.147 0.000 0.929 318 R CB 1.081 31.248 30.300 -0.221 0.000 1.073 318 R HN 0.829 nan 8.270 nan 0.000 0.464 319 I N 3.892 124.195 120.570 -0.444 0.000 2.328 319 I HA 0.167 4.338 4.170 0.001 0.000 0.287 319 I C -0.572 175.311 176.117 -0.389 0.000 1.012 319 I CA -0.586 60.413 61.300 -0.502 0.000 1.195 319 I CB 1.760 39.195 38.000 -0.942 0.000 1.350 319 I HN 0.508 nan 8.210 nan 0.000 0.464 320 Q N 9.555 129.223 119.800 -0.221 0.000 2.400 320 Q HA 0.450 4.790 4.340 0.001 0.000 0.255 320 Q C -2.579 173.357 176.000 -0.107 0.000 1.008 320 Q CA -2.107 53.609 55.803 -0.145 0.000 0.841 320 Q CB 1.331 29.986 28.738 -0.137 0.000 1.220 320 Q HN 0.205 nan 8.270 nan 0.000 0.474 321 P HA 0.057 nan 4.420 nan 0.000 0.265 321 P C -0.691 176.582 177.300 -0.044 0.000 1.193 321 P CA 0.317 63.405 63.100 -0.021 0.000 0.765 321 P CB 0.339 32.051 31.700 0.020 0.000 0.823 322 I N -1.441 119.099 120.570 -0.049 0.000 2.957 322 I HA 0.721 4.892 4.170 0.001 0.000 0.310 322 I C 0.839 176.936 176.117 -0.033 0.000 1.063 322 I CA -1.362 59.909 61.300 -0.049 0.000 1.033 322 I CB 2.135 40.094 38.000 -0.068 0.000 1.230 322 I HN 0.164 nan 8.210 nan 0.000 0.447 323 A N 3.768 126.570 122.820 -0.029 0.000 2.172 323 A HA 0.228 4.548 4.320 0.001 0.000 0.216 323 A C 1.027 178.599 177.584 -0.019 0.000 1.154 323 A CA 0.510 52.533 52.037 -0.022 0.000 0.701 323 A CB -0.790 18.199 19.000 -0.019 0.000 0.789 323 A HN 0.635 nan 8.150 nan 0.000 0.465 324 I N 0.748 121.306 120.570 -0.020 0.000 2.648 324 I HA 0.023 4.193 4.170 0.001 0.000 0.284 324 I C 0.835 176.946 176.117 -0.009 0.000 1.153 324 I CA 0.043 61.336 61.300 -0.013 0.000 1.426 324 I CB 1.005 38.997 38.000 -0.013 0.000 1.381 324 I HN 0.144 nan 8.210 nan 0.000 0.571 325 S N 5.330 121.028 115.700 -0.002 0.000 2.499 325 S HA 0.640 5.111 4.470 0.001 0.000 0.279 325 S C -0.119 174.489 174.600 0.014 0.000 1.219 325 S CA -0.792 57.408 58.200 -0.001 0.000 1.062 325 S CB 0.807 64.006 63.200 -0.001 0.000 0.978 325 S HN 0.656 nan 8.310 nan 0.000 0.489 326 A N 3.455 126.285 122.820 0.018 0.000 2.331 326 A HA 0.527 4.848 4.320 0.001 0.000 0.283 326 A C 1.016 178.635 177.584 0.058 0.000 1.142 326 A CA -0.273 51.791 52.037 0.046 0.000 0.812 326 A CB 0.483 19.520 19.000 0.062 0.000 1.074 326 A HN 1.171 nan 8.150 nan 0.000 0.497 327 S N 1.875 117.619 115.700 0.073 0.000 2.540 327 S HA 0.277 4.748 4.470 0.001 0.000 0.218 327 S C 0.964 175.628 174.600 0.107 0.000 0.977 327 S CA 0.204 58.450 58.200 0.076 0.000 0.918 327 S CB -0.214 63.021 63.200 0.059 0.000 0.806 327 S HN 1.189 nan 8.310 nan 0.000 0.496 328 G N 0.988 109.872 108.800 0.140 0.000 2.544 328 G HA2 0.565 4.526 3.960 0.001 0.000 0.242 328 G HA3 0.565 4.526 3.960 0.001 0.000 0.242 328 G C -0.250 174.788 174.900 0.230 0.000 1.247 328 G CA -0.058 45.136 45.100 0.156 0.000 0.840 328 G HN 0.686 nan 8.290 nan 0.000 0.578 329 A N 0.429 123.310 122.820 0.102 0.000 2.384 329 A HA 0.691 5.012 4.320 0.001 0.000 0.312 329 A C -1.036 176.369 177.584 -0.298 0.000 1.113 329 A CA -0.693 51.361 52.037 0.028 0.000 0.779 329 A CB 1.922 20.936 19.000 0.024 0.000 1.307 329 A HN 1.065 nan 8.150 nan 0.000 0.436 330 L N 2.341 123.228 121.223 -0.560 0.000 2.297 330 L HA 0.564 4.905 4.340 0.001 0.000 0.277 330 L C -2.388 174.276 176.870 -0.343 0.000 1.040 330 L CA -1.841 52.579 54.840 -0.701 0.000 0.867 330 L CB 0.583 41.827 42.059 -1.359 0.000 1.244 330 L HN 0.399 nan 8.230 nan 0.000 0.433 331 P HA 0.270 nan 4.420 nan 0.000 0.275 331 P C -0.092 177.146 177.300 -0.103 0.000 1.228 331 P CA -0.275 62.755 63.100 -0.117 0.000 0.786 331 P CB 0.824 32.480 31.700 -0.074 0.000 0.927 332 D N -0.224 120.138 120.400 -0.064 0.000 2.178 332 D HA -0.055 4.586 4.640 0.001 0.000 0.201 332 D C 0.194 176.479 176.300 -0.024 0.000 0.980 332 D CA 1.559 55.535 54.000 -0.040 0.000 0.842 332 D CB -0.059 40.730 40.800 -0.019 0.000 0.948 332 D HN 0.346 nan 8.370 nan 0.000 0.472 333 T N -0.134 114.409 114.554 -0.020 0.000 2.861 333 T HA 0.465 4.815 4.350 0.001 0.000 0.287 333 T C 1.138 175.835 174.700 -0.005 0.000 1.003 333 T CA -0.582 61.515 62.100 -0.005 0.000 0.977 333 T CB 2.274 71.143 68.868 0.002 0.000 0.996 333 T HN -0.179 nan 8.240 nan 0.000 0.448 334 L N 1.024 122.251 121.223 0.007 0.000 2.433 334 L HA 0.444 4.785 4.340 0.001 0.000 0.200 334 L C 1.112 178.000 176.870 0.030 0.000 1.059 334 L CA 0.081 54.929 54.840 0.014 0.000 0.835 334 L CB 0.367 42.439 42.059 0.021 0.000 1.076 334 L HN 0.610 nan 8.230 nan 0.000 0.481 335 S N -1.943 113.781 115.700 0.041 0.000 2.703 335 S HA 0.472 4.943 4.470 0.001 0.000 0.273 335 S C -1.554 173.081 174.600 0.058 0.000 1.178 335 S CA -0.424 57.811 58.200 0.059 0.000 0.838 335 S CB 1.771 65.025 63.200 0.090 0.000 1.178 335 S HN -0.035 nan 8.310 nan 0.000 0.494 336 S N 1.257 117.003 115.700 0.077 0.000 2.561 336 S HA 0.699 5.170 4.470 0.001 0.000 0.303 336 S C -1.559 173.100 174.600 0.099 0.000 1.110 336 S CA -0.502 57.739 58.200 0.068 0.000 1.034 336 S CB 0.920 64.156 63.200 0.060 0.000 1.010 336 S HN 0.593 nan 8.310 nan 0.000 0.482 337 L N 6.923 128.177 121.223 0.052 0.000 2.289 337 L HA 0.631 4.972 4.340 0.001 0.000 0.285 337 L C -1.890 174.991 176.870 0.018 0.000 1.049 337 L CA -1.521 53.328 54.840 0.015 0.000 0.804 337 L CB 0.757 42.749 42.059 -0.112 0.000 1.195 337 L HN 0.542 nan 8.230 nan 0.000 0.428 338 P HA 0.247 nan 4.420 nan 0.000 0.272 338 P C -0.983 176.306 177.300 -0.018 0.000 1.223 338 P CA -0.546 62.593 63.100 0.066 0.000 0.784 338 P CB 0.632 32.432 31.700 0.167 0.000 0.923 339 A N 2.782 125.593 122.820 -0.014 0.000 2.445 339 A HA 0.247 4.568 4.320 0.001 0.000 0.242 339 A C 0.605 178.140 177.584 -0.082 0.000 1.075 339 A CA -0.469 51.539 52.037 -0.048 0.000 0.777 339 A CB -0.387 18.594 19.000 -0.032 0.000 1.013 339 A HN 0.577 nan 8.150 nan 0.000 0.493 340 L N 2.848 124.000 121.223 -0.117 0.000 2.461 340 L HA 0.216 4.557 4.340 0.001 0.000 0.272 340 L C -1.307 175.451 176.870 -0.186 0.000 1.197 340 L CA -1.291 53.441 54.840 -0.179 0.000 0.836 340 L CB -0.008 41.956 42.059 -0.158 0.000 1.105 340 L HN 0.638 nan 8.230 nan 0.000 0.477 341 P HA 0.056 nan 4.420 nan 0.000 0.275 341 P C -0.492 176.718 177.300 -0.151 0.000 1.266 341 P CA -0.549 62.411 63.100 -0.233 0.000 0.793 341 P CB 0.739 32.194 31.700 -0.409 0.000 1.074 342 S N -0.526 115.125 115.700 -0.082 0.000 2.560 342 S HA 0.041 4.512 4.470 0.001 0.000 0.284 342 S C 1.140 175.708 174.600 -0.052 0.000 1.327 342 S CA -0.410 57.760 58.200 -0.051 0.000 1.055 342 S CB -0.402 62.786 63.200 -0.019 0.000 0.868 342 S HN 0.264 nan 8.310 nan 0.000 0.506 343 L N 3.425 124.624 121.223 -0.041 0.000 2.529 343 L HA 0.325 4.665 4.340 0.001 0.000 0.223 343 L C 1.070 177.939 176.870 -0.002 0.000 1.113 343 L CA 0.683 55.508 54.840 -0.025 0.000 0.861 343 L CB -0.657 41.386 42.059 -0.027 0.000 1.012 343 L HN 0.670 nan 8.230 nan 0.000 0.461 344 E N 0.001 120.200 120.200 -0.002 0.000 2.376 344 E HA 0.332 4.682 4.350 0.001 0.000 0.266 344 E C 1.207 177.818 176.600 0.018 0.000 1.009 344 E CA 0.673 57.077 56.400 0.006 0.000 0.902 344 E CB 0.203 29.904 29.700 0.003 0.000 0.972 344 E HN 0.274 nan 8.360 nan 0.000 0.439 345 G N 2.799 111.611 108.800 0.019 0.000 2.179 345 G HA2 -0.293 3.668 3.960 0.001 0.000 0.260 345 G HA3 -0.293 3.668 3.960 0.001 0.000 0.260 345 G C 0.208 175.133 174.900 0.043 0.000 0.977 345 G CA -0.151 44.966 45.100 0.028 0.000 0.641 345 G HN 0.393 nan 8.290 nan 0.000 0.533 346 L N 1.419 122.672 121.223 0.048 0.000 2.395 346 L HA 0.403 4.743 4.340 0.001 0.000 0.269 346 L C 1.092 177.998 176.870 0.060 0.000 1.133 346 L CA -0.482 54.403 54.840 0.075 0.000 0.812 346 L CB 0.780 42.893 42.059 0.091 0.000 1.125 346 L HN 0.084 nan 8.230 nan 0.000 0.452 347 T N 1.941 116.542 114.554 0.077 0.000 2.916 347 T HA 0.222 4.572 4.350 0.001 0.000 0.303 347 T C 0.020 174.740 174.700 0.033 0.000 1.025 347 T CA -0.301 61.826 62.100 0.046 0.000 1.142 347 T CB 0.902 69.808 68.868 0.063 0.000 0.947 347 T HN 0.233 nan 8.240 nan 0.000 0.544 348 V N 5.259 125.153 119.914 -0.033 0.000 2.459 348 V HA 0.491 4.612 4.120 0.001 0.000 0.295 348 V C 0.204 176.177 176.094 -0.202 0.000 1.029 348 V CA -0.845 61.412 62.300 -0.072 0.000 0.874 348 V CB 1.575 33.361 31.823 -0.062 0.000 0.985 348 V HN 0.733 nan 8.190 nan 0.000 0.438 349 R N 3.266 123.569 120.500 -0.329 0.000 2.480 349 R HA 0.532 4.873 4.340 0.001 0.000 0.306 349 R C -0.742 175.276 176.300 -0.472 0.000 0.958 349 R CA -0.814 54.923 56.100 -0.605 0.000 0.861 349 R CB 2.550 32.109 30.300 -1.236 0.000 1.171 349 R HN 0.569 nan 8.270 nan 0.000 0.445 350 K N 3.532 123.703 120.400 -0.382 0.000 2.235 350 K HA 0.351 4.672 4.320 0.001 0.000 0.266 350 K C -1.225 175.216 176.600 -0.265 0.000 0.980 350 K CA -0.728 55.400 56.287 -0.265 0.000 0.849 350 K CB 0.875 33.268 32.500 -0.178 0.000 1.098 350 K HN 0.250 nan 8.250 nan 0.000 0.445 351 L N 3.942 125.023 121.223 -0.237 0.000 2.316 351 L HA 0.285 4.625 4.340 0.001 0.000 0.280 351 L C -0.589 176.171 176.870 -0.183 0.000 1.006 351 L CA -0.464 54.258 54.840 -0.196 0.000 0.836 351 L CB 1.440 43.364 42.059 -0.225 0.000 1.221 351 L HN 0.543 nan 8.230 nan 0.000 0.418 352 Q N 3.428 123.158 119.800 -0.117 0.000 2.368 352 Q HA 0.545 4.885 4.340 0.001 0.000 0.256 352 Q C -1.235 174.715 176.000 -0.084 0.000 0.980 352 Q CA -0.060 55.684 55.803 -0.098 0.000 0.887 352 Q CB 0.907 29.605 28.738 -0.067 0.000 1.221 352 Q HN 0.558 nan 8.270 nan 0.000 0.458 353 L N 2.951 124.102 121.223 -0.120 0.000 2.349 353 L HA 0.596 4.937 4.340 0.001 0.000 0.275 353 L C 0.053 176.855 176.870 -0.113 0.000 1.115 353 L CA -0.493 54.264 54.840 -0.139 0.000 0.820 353 L CB 0.988 42.880 42.059 -0.279 0.000 1.135 353 L HN 0.823 nan 8.230 nan 0.000 0.445 354 S N 2.925 118.572 115.700 -0.089 0.000 2.579 354 S HA 0.780 5.251 4.470 0.001 0.000 0.272 354 S C -0.929 173.641 174.600 -0.051 0.000 1.141 354 S CA -1.036 57.132 58.200 -0.053 0.000 0.843 354 S CB 2.100 65.286 63.200 -0.023 0.000 1.122 354 S HN 0.536 nan 8.310 nan 0.000 0.468 355 M N 2.289 121.872 119.600 -0.028 0.000 2.151 355 M HA 0.475 4.956 4.480 0.001 0.000 0.290 355 M C -1.776 174.524 176.300 0.000 0.000 0.965 355 M CA -0.323 54.963 55.300 -0.024 0.000 0.930 355 M CB 1.784 34.365 32.600 -0.032 0.000 1.560 355 M HN 0.824 nan 8.290 nan 0.000 0.438 356 D N 2.283 122.687 120.400 0.007 0.000 2.649 356 D HA 0.681 5.321 4.640 0.001 0.000 0.249 356 D C 0.332 176.643 176.300 0.018 0.000 1.112 356 D CA 0.645 54.653 54.000 0.013 0.000 0.850 356 D CB 1.678 42.485 40.800 0.012 0.000 1.399 356 D HN 0.848 nan 8.370 nan 0.000 0.503 407 A N 1.445 124.286 122.820 0.036 0.000 2.415 407 A HA 0.626 4.947 4.320 0.001 0.000 0.309 407 A C -0.080 177.523 177.584 0.032 0.000 1.356 407 A CA -0.357 51.705 52.037 0.040 0.000 0.998 407 A CB 0.011 19.032 19.000 0.035 0.000 1.145 407 A HN 0.193 nan 8.150 nan 0.000 0.545 408 N N 2.274 120.999 118.700 0.041 0.000 2.498 408 N HA 0.499 5.240 4.740 0.001 0.000 0.287 408 N C -0.455 175.090 175.510 0.059 0.000 1.097 408 N CA 0.033 53.096 53.050 0.022 0.000 0.973 408 N CB 1.434 39.924 38.487 0.005 0.000 1.153 408 N HN 0.618 nan 8.380 nan 0.000 0.472 409 K N 0.853 121.279 120.400 0.043 0.000 2.555 409 K HA 0.577 4.898 4.320 0.001 0.000 0.279 409 K C -0.945 175.695 176.600 0.067 0.000 0.986 409 K CA -0.606 55.722 56.287 0.068 0.000 0.880 409 K CB 2.128 34.655 32.500 0.046 0.000 1.474 409 K HN 0.352 nan 8.250 nan 0.000 0.433 410 I N 1.871 122.500 120.570 0.099 0.000 2.498 410 I HA 0.219 4.390 4.170 0.001 0.000 0.290 410 I C -0.442 175.715 176.117 0.067 0.000 1.032 410 I CA -0.889 60.465 61.300 0.090 0.000 1.073 410 I CB 1.697 39.799 38.000 0.171 0.000 1.251 410 I HN 0.621 nan 8.210 nan 0.000 0.426 411 N N 4.605 123.320 118.700 0.025 0.000 2.716 411 N HA -0.202 4.539 4.740 0.001 0.000 0.250 411 N C 0.890 176.411 175.510 0.018 0.000 1.033 411 N CA 1.425 54.482 53.050 0.011 0.000 0.727 411 N CB -0.952 37.545 38.487 0.016 0.000 0.950 411 N HN 1.176 nan 8.380 nan 0.000 0.541 412 G N -1.456 107.355 108.800 0.017 0.000 2.153 412 G HA2 -0.328 3.633 3.960 0.001 0.000 0.252 412 G HA3 -0.328 3.633 3.960 0.001 0.000 0.252 412 G C -0.176 174.741 174.900 0.028 0.000 0.994 412 G CA 0.829 45.939 45.100 0.017 0.000 0.698 412 G HN 0.743 nan 8.290 nan 0.000 0.521 413 Q N -0.187 119.641 119.800 0.045 0.000 2.285 413 Q HA 0.743 5.083 4.340 0.001 0.000 0.269 413 Q C -0.043 176.008 176.000 0.086 0.000 1.030 413 Q CA 0.250 56.085 55.803 0.053 0.000 0.788 413 Q CB 1.506 30.273 28.738 0.048 0.000 1.266 413 Q HN 1.212 nan 8.270 nan 0.000 0.438 414 A N 3.612 126.482 122.820 0.084 0.000 2.425 414 A HA 0.421 4.742 4.320 0.001 0.000 0.249 414 A C -0.462 177.220 177.584 0.163 0.000 1.084 414 A CA -0.388 51.728 52.037 0.131 0.000 0.781 414 A CB -0.121 18.945 19.000 0.111 0.000 1.019 414 A HN 0.808 nan 8.150 nan 0.000 0.490 415 F N 2.277 122.273 119.950 0.077 0.000 2.537 415 F HA 0.024 4.551 4.527 0.001 0.000 0.402 415 F C 0.177 175.994 175.800 0.027 0.000 1.005 415 F CA 0.834 58.867 58.000 0.055 0.000 1.203 415 F CB 0.251 39.295 39.000 0.074 0.000 0.955 415 F HN 0.573 nan 8.300 nan 0.000 0.547 416 D N 7.117 127.092 120.400 -0.710 0.000 2.440 416 D HA 0.101 4.741 4.640 0.001 0.000 0.239 416 D C 0.796 176.431 176.300 -1.110 0.000 1.084 416 D CA -0.438 53.115 54.000 -0.744 0.000 0.843 416 D CB 1.214 41.818 40.800 -0.326 0.000 1.097 416 D HN 0.817 nan 8.370 nan 0.000 0.531 417 M N 3.308 122.135 119.600 -1.289 0.000 2.358 417 M HA -0.094 4.387 4.480 0.001 0.000 0.264 417 M C 0.317 176.370 176.300 -0.412 0.000 1.064 417 M CA 1.147 55.928 55.300 -0.865 0.000 1.093 417 M CB 0.258 32.491 32.600 -0.612 0.000 1.401 417 M HN 0.180 nan 8.290 nan 0.000 0.440 418 N N 0.234 118.725 118.700 -0.348 0.000 2.280 418 N HA 0.044 4.785 4.740 0.001 0.000 0.192 418 N C -0.372 175.028 175.510 -0.184 0.000 1.109 418 N CA 0.371 53.289 53.050 -0.221 0.000 0.855 418 N CB 0.451 38.835 38.487 -0.172 0.000 0.974 418 N HN 0.106 nan 8.380 nan 0.000 0.482 419 K N 1.403 121.678 120.400 -0.208 0.000 2.701 419 K HA 0.361 4.682 4.320 0.001 0.000 0.212 419 K C -2.908 173.618 176.600 -0.123 0.000 1.035 419 K CA -1.693 54.509 56.287 -0.142 0.000 1.048 419 K CB 1.140 33.566 32.500 -0.123 0.000 1.234 419 K HN -0.192 nan 8.250 nan 0.000 0.540 420 P HA 0.039 nan 4.420 nan 0.000 0.268 420 P C 0.448 177.709 177.300 -0.064 0.000 1.205 420 P CA -0.096 62.950 63.100 -0.091 0.000 0.771 420 P CB 0.752 32.383 31.700 -0.115 0.000 0.858 421 M N 3.166 122.723 119.600 -0.071 0.000 2.288 421 M HA 0.068 4.549 4.480 0.001 0.000 0.266 421 M C -0.296 176.092 176.300 0.147 0.000 1.072 421 M CA 1.552 56.873 55.300 0.035 0.000 1.132 421 M CB 0.041 32.712 32.600 0.118 0.000 1.386 421 M HN 0.390 nan 8.290 nan 0.000 0.432 422 F N -2.338 117.647 119.950 0.058 0.000 2.779 422 F HA 0.732 5.259 4.527 0.001 0.000 0.316 422 F C -1.543 174.317 175.800 0.100 0.000 1.164 422 F CA -1.530 56.491 58.000 0.035 0.000 0.924 422 F CB 0.564 39.541 39.000 -0.039 0.000 1.348 422 F HN -0.274 nan 8.300 nan 0.000 0.467 423 A N 1.348 124.371 122.820 0.339 0.000 2.273 423 A HA 0.875 5.195 4.320 0.001 0.000 0.315 423 A C -0.410 177.414 177.584 0.400 0.000 1.256 423 A CA -0.207 51.989 52.037 0.265 0.000 0.851 423 A CB 0.193 19.285 19.000 0.152 0.000 1.172 423 A HN 1.515 nan 8.150 nan 0.000 0.508 424 A N 1.927 125.029 122.820 0.469 0.000 2.286 424 A HA 0.772 5.093 4.320 0.001 0.000 0.286 424 A C 0.655 178.440 177.584 0.336 0.000 1.097 424 A CA 0.106 52.429 52.037 0.478 0.000 0.821 424 A CB 0.473 19.852 19.000 0.631 0.000 1.076 424 A HN 2.028 nan 8.150 nan 0.000 0.490 425 A N 0.935 123.952 122.820 0.328 0.000 2.354 425 A HA 0.521 4.842 4.320 0.001 0.000 0.269 425 A C 0.343 178.098 177.584 0.284 0.000 1.109 425 A CA -0.365 51.819 52.037 0.245 0.000 0.800 425 A CB 0.139 19.255 19.000 0.193 0.000 1.045 425 A HN 0.828 nan 8.150 nan 0.000 0.489 426 K N 1.288 121.810 120.400 0.203 0.000 2.205 426 K HA 0.448 4.769 4.320 0.001 0.000 0.279 426 K C 0.978 177.641 176.600 0.105 0.000 1.027 426 K CA 0.689 57.087 56.287 0.186 0.000 0.932 426 K CB 0.432 33.009 32.500 0.129 0.000 1.032 426 K HN 1.578 nan 8.250 nan 0.000 0.466 427 G N 2.638 111.470 108.800 0.054 0.000 2.179 427 G HA2 -0.282 3.678 3.960 0.001 0.000 0.257 427 G HA3 -0.282 3.678 3.960 0.001 0.000 0.257 427 G C -0.468 174.386 174.900 -0.077 0.000 1.010 427 G CA 0.312 45.383 45.100 -0.049 0.000 0.736 427 G HN 0.606 nan 8.290 nan 0.000 0.513 428 Q N -0.980 118.801 119.800 -0.032 0.000 2.337 428 Q HA 0.520 4.861 4.340 0.001 0.000 0.270 428 Q C -0.716 175.264 176.000 -0.032 0.000 1.043 428 Q CA -1.045 54.752 55.803 -0.009 0.000 0.794 428 Q CB 1.606 30.401 28.738 0.094 0.000 1.281 428 Q HN 0.292 nan 8.270 nan 0.000 0.446 429 Y N 1.430 121.768 120.300 0.063 0.000 2.610 429 Y HA 0.022 4.573 4.550 0.001 0.000 0.332 429 Y C 0.505 176.455 175.900 0.084 0.000 1.201 429 Y CA 0.658 58.785 58.100 0.045 0.000 1.465 429 Y CB 0.541 39.022 38.460 0.036 0.000 1.283 429 Y HN 0.419 nan 8.280 nan 0.000 0.563 430 E N 2.746 123.101 120.200 0.258 0.000 2.312 430 E HA 0.490 4.841 4.350 0.001 0.000 0.267 430 E C -0.986 175.772 176.600 0.264 0.000 0.894 430 E CA -1.269 55.303 56.400 0.285 0.000 0.773 430 E CB 1.966 31.944 29.700 0.464 0.000 1.241 430 E HN 0.463 nan 8.360 nan 0.000 0.432 431 R N 1.526 122.176 120.500 0.250 0.000 2.229 431 R HA 0.281 4.621 4.340 0.001 0.000 0.332 431 R C -1.175 175.308 176.300 0.304 0.000 0.989 431 R CA -0.563 55.654 56.100 0.195 0.000 0.842 431 R CB 0.739 31.089 30.300 0.083 0.000 1.119 431 R HN 0.322 nan 8.270 nan 0.000 0.456 432 W N 3.094 124.332 121.300 -0.102 0.000 2.376 432 W HA 0.342 5.002 4.660 0.001 0.000 0.312 432 W C -0.504 175.925 176.519 -0.150 0.000 1.060 432 W CA -0.702 56.563 57.345 -0.133 0.000 1.221 432 W CB 1.372 30.759 29.460 -0.122 0.000 1.281 432 W HN 0.153 nan 8.180 nan 0.000 0.456 433 V N 6.427 126.337 119.914 -0.006 0.000 2.347 433 V HA 0.382 4.503 4.120 0.001 0.000 0.280 433 V C -0.261 175.758 176.094 -0.126 0.000 1.021 433 V CA -0.844 61.419 62.300 -0.061 0.000 0.847 433 V CB 0.768 32.545 31.823 -0.077 0.000 0.990 433 V HN 0.212 nan 8.190 nan 0.000 0.444 434 I N 4.052 124.536 120.570 -0.144 0.000 2.355 434 I HA 0.441 4.612 4.170 0.001 0.000 0.288 434 I C 0.255 176.271 176.117 -0.168 0.000 0.999 434 I CA 0.183 61.327 61.300 -0.261 0.000 1.163 434 I CB 1.899 39.619 38.000 -0.467 0.000 1.316 434 I HN 0.543 nan 8.210 nan 0.000 0.454 435 S N 3.583 119.190 115.700 -0.155 0.000 2.451 435 S HA 0.674 5.145 4.470 0.001 0.000 0.301 435 S C 0.748 175.306 174.600 -0.071 0.000 1.116 435 S CA -0.438 57.711 58.200 -0.086 0.000 1.093 435 S CB 1.139 64.297 63.200 -0.071 0.000 1.017 435 S HN 0.839 nan 8.310 nan 0.000 0.482 436 G N 2.955 111.752 108.800 -0.004 0.000 3.575 436 G HA2 0.246 4.207 3.960 0.001 0.000 0.273 436 G HA3 0.246 4.207 3.960 0.001 0.000 0.273 436 G C -0.104 174.829 174.900 0.055 0.000 1.053 436 G CA -0.146 44.984 45.100 0.050 0.000 0.803 436 G HN 0.654 nan 8.290 nan 0.000 0.528 437 V N 1.469 121.395 119.914 0.020 0.000 2.409 437 V HA 0.486 4.607 4.120 0.001 0.000 0.270 437 V C 1.364 177.467 176.094 0.015 0.000 1.019 437 V CA 1.459 63.770 62.300 0.018 0.000 1.066 437 V CB 0.225 32.049 31.823 0.002 0.000 1.021 437 V HN 0.504 nan 8.190 nan 0.000 0.476 438 G N 4.651 113.468 108.800 0.028 0.000 3.611 438 G HA2 -0.041 3.920 3.960 0.001 0.000 0.217 438 G HA3 -0.041 3.920 3.960 0.001 0.000 0.217 438 G C -0.261 174.665 174.900 0.042 0.000 1.023 438 G CA 0.100 45.216 45.100 0.025 0.000 0.887 438 G HN 0.822 nan 8.290 nan 0.000 0.420 439 D N -0.952 119.492 120.400 0.074 0.000 2.592 439 D HA 0.686 5.327 4.640 0.001 0.000 0.263 439 D C 0.704 177.063 176.300 0.097 0.000 1.132 439 D CA -0.921 53.133 54.000 0.089 0.000 0.996 439 D CB 0.799 41.673 40.800 0.122 0.000 1.442 439 D HN -0.084 nan 8.370 nan 0.000 0.486 440 M N 0.083 119.725 119.600 0.070 0.000 2.484 440 M HA 0.207 4.687 4.480 0.001 0.000 0.307 440 M C -0.446 175.861 176.300 0.011 0.000 1.149 440 M CA -0.148 55.178 55.300 0.044 0.000 0.972 440 M CB -0.019 32.596 32.600 0.025 0.000 1.400 440 M HN 0.453 nan 8.290 nan 0.000 0.508 441 M N 0.889 120.489 119.600 0.001 0.000 2.198 441 M HA 0.245 4.726 4.480 0.001 0.000 0.315 441 M C -0.021 176.089 176.300 -0.318 0.000 1.134 441 M CA -0.642 54.588 55.300 -0.117 0.000 1.171 441 M CB 0.266 32.834 32.600 -0.054 0.000 1.413 441 M HN 0.091 nan 8.290 nan 0.000 0.467 442 L N 3.467 124.521 121.223 -0.282 0.000 2.260 442 L HA 0.265 4.606 4.340 0.001 0.000 0.289 442 L C -0.786 175.932 176.870 -0.252 0.000 1.057 442 L CA 0.263 54.981 54.840 -0.202 0.000 0.811 442 L CB 0.009 42.019 42.059 -0.081 0.000 1.184 442 L HN 0.430 nan 8.230 nan 0.000 0.429 443 H N 5.546 124.745 119.070 0.215 0.000 2.725 443 H HA 0.348 4.905 4.556 0.001 0.000 0.283 443 H C -2.430 173.080 175.328 0.303 0.000 1.110 443 H CA -2.195 54.030 56.048 0.294 0.000 1.289 443 H CB 0.822 30.782 29.762 0.330 0.000 1.400 443 H HN 0.470 nan 8.280 nan 0.000 0.493 444 P HA 0.028 nan 4.420 nan 0.000 0.273 444 P C -0.276 177.293 177.300 0.448 0.000 1.319 444 P CA -0.106 63.209 63.100 0.358 0.000 0.885 444 P CB -0.339 31.524 31.700 0.271 0.000 1.015 445 F N 4.451 124.594 119.950 0.321 0.000 2.424 445 F HA 0.317 4.845 4.527 0.001 0.000 0.356 445 F C 0.476 176.504 175.800 0.380 0.000 1.110 445 F CA -0.197 57.990 58.000 0.312 0.000 1.161 445 F CB 0.403 39.551 39.000 0.246 0.000 1.115 445 F HN 0.323 nan 8.300 nan 0.000 0.507 446 H N 6.019 124.889 119.070 -0.334 0.000 2.495 446 H HA 0.611 5.168 4.556 0.001 0.000 0.348 446 H C -1.283 173.920 175.328 -0.208 0.000 1.113 446 H CA -0.839 55.145 56.048 -0.105 0.000 1.195 446 H CB 1.088 30.838 29.762 -0.020 0.000 1.521 446 H HN 0.589 nan 8.280 nan 0.000 0.509 447 I N 5.267 125.641 120.570 -0.327 0.000 2.436 447 I HA 0.211 4.381 4.170 0.001 0.000 0.289 447 I C 0.164 176.161 176.117 -0.200 0.000 1.010 447 I CA -0.645 60.591 61.300 -0.106 0.000 1.098 447 I CB 1.367 39.447 38.000 0.133 0.000 1.266 447 I HN 0.600 nan 8.210 nan 0.000 0.434 448 H N 3.828 122.763 119.070 -0.224 0.000 2.679 448 H HA 0.194 4.751 4.556 0.001 0.000 0.369 448 H C 1.097 176.280 175.328 -0.242 0.000 1.178 448 H CA 0.529 56.469 56.048 -0.179 0.000 1.419 448 H CB 1.119 30.848 29.762 -0.057 0.000 1.458 448 H HN 0.957 nan 8.280 nan 0.000 0.605 449 G N 1.199 109.882 108.800 -0.195 0.000 2.148 449 G HA2 -0.280 3.680 3.960 0.001 0.000 0.254 449 G HA3 -0.280 3.680 3.960 0.001 0.000 0.254 449 G C 0.297 175.185 174.900 -0.019 0.000 0.981 449 G CA 0.652 45.521 45.100 -0.386 0.000 0.670 449 G HN 0.833 nan 8.290 nan 0.000 0.528 450 T N -0.949 113.597 114.554 -0.013 0.000 2.840 450 T HA 0.579 4.930 4.350 0.001 0.000 0.317 450 T C -1.838 172.816 174.700 -0.077 0.000 1.401 450 T CA -0.434 61.620 62.100 -0.076 0.000 1.028 450 T CB 1.788 70.500 68.868 -0.261 0.000 1.317 450 T HN 0.125 nan 8.240 nan 0.000 0.495 451 Q N 2.832 122.569 119.800 -0.105 0.000 2.325 451 Q HA 0.487 4.827 4.340 0.001 0.000 0.270 451 Q C -0.960 175.127 176.000 0.145 0.000 1.020 451 Q CA -0.474 55.275 55.803 -0.090 0.000 0.785 451 Q CB 1.503 30.168 28.738 -0.122 0.000 1.259 451 Q HN 0.659 nan 8.270 nan 0.000 0.452 452 F N -0.123 119.950 119.950 0.204 0.000 2.572 452 F HA 0.755 5.283 4.527 0.001 0.000 0.342 452 F C -0.123 175.773 175.800 0.160 0.000 1.064 452 F CA -1.321 56.775 58.000 0.159 0.000 1.008 452 F CB 0.864 39.847 39.000 -0.028 0.000 1.303 452 F HN 0.074 nan 8.300 nan 0.000 0.492 453 R N 1.591 122.337 120.500 0.411 0.000 2.387 453 R HA 0.485 4.825 4.340 0.001 0.000 0.314 453 R C -0.870 175.560 176.300 0.217 0.000 0.958 453 R CA -0.744 55.444 56.100 0.146 0.000 0.846 453 R CB 1.728 31.986 30.300 -0.070 0.000 1.147 453 R HN 0.771 nan 8.270 nan 0.000 0.447 454 I N 4.583 125.272 120.570 0.197 0.000 2.471 454 I HA -0.007 4.164 4.170 0.001 0.000 0.286 454 I C 1.546 177.687 176.117 0.040 0.000 1.079 454 I CA 0.049 61.435 61.300 0.143 0.000 1.398 454 I CB 0.711 38.807 38.000 0.160 0.000 1.403 454 I HN 0.441 nan 8.210 nan 0.000 0.530 455 L N 4.027 125.258 121.223 0.014 0.000 2.221 455 L HA 0.134 4.475 4.340 0.001 0.000 0.202 455 L C 0.934 177.803 176.870 -0.003 0.000 1.074 455 L CA 0.712 55.547 54.840 -0.009 0.000 0.795 455 L CB -0.039 42.009 42.059 -0.018 0.000 0.960 455 L HN 0.575 nan 8.230 nan 0.000 0.458 456 S N -0.261 115.442 115.700 0.006 0.000 2.575 456 S HA 0.281 4.752 4.470 0.001 0.000 0.278 456 S C -1.088 173.528 174.600 0.028 0.000 1.139 456 S CA -0.611 57.595 58.200 0.011 0.000 0.954 456 S CB 1.719 64.921 63.200 0.002 0.000 1.054 456 S HN 0.208 nan 8.310 nan 0.000 0.483 457 E N 3.431 123.653 120.200 0.037 0.000 2.102 457 E HA 0.354 4.705 4.350 0.001 0.000 0.263 457 E C -0.259 176.371 176.600 0.051 0.000 0.894 457 E CA -0.286 56.149 56.400 0.059 0.000 0.746 457 E CB 0.308 30.051 29.700 0.071 0.000 1.129 457 E HN 0.754 nan 8.360 nan 0.000 0.416 458 N N 3.934 122.666 118.700 0.053 0.000 2.714 458 N HA -0.246 4.494 4.740 0.001 0.000 0.252 458 N C 0.453 175.982 175.510 0.031 0.000 1.014 458 N CA 1.664 54.742 53.050 0.047 0.000 0.735 458 N CB -1.098 37.425 38.487 0.061 0.000 0.924 458 N HN 0.924 nan 8.380 nan 0.000 0.540 459 G N -1.582 107.231 108.800 0.021 0.000 2.157 459 G HA2 -0.317 3.644 3.960 0.001 0.000 0.248 459 G HA3 -0.317 3.644 3.960 0.001 0.000 0.248 459 G C -0.042 174.865 174.900 0.011 0.000 0.979 459 G CA 0.746 45.854 45.100 0.013 0.000 0.650 459 G HN 0.621 nan 8.290 nan 0.000 0.529 460 K N 0.510 120.918 120.400 0.014 0.000 2.435 460 K HA 0.564 4.885 4.320 0.001 0.000 0.251 460 K C -2.714 173.892 176.600 0.009 0.000 0.954 460 K CA -2.158 54.135 56.287 0.010 0.000 0.820 460 K CB 2.979 35.487 32.500 0.012 0.000 1.292 460 K HN -0.020 nan 8.250 nan 0.000 0.436 461 P HA 0.107 nan 4.420 nan 0.000 0.272 461 P C -2.554 174.744 177.300 -0.004 0.000 1.223 461 P CA -1.187 61.912 63.100 -0.002 0.000 0.784 461 P CB -0.405 31.290 31.700 -0.008 0.000 0.923 462 P HA 0.097 nan 4.420 nan 0.000 0.271 462 P C -0.122 177.150 177.300 -0.046 0.000 1.216 462 P CA 0.002 63.090 63.100 -0.020 0.000 0.776 462 P CB 0.330 32.023 31.700 -0.012 0.000 0.881 463 A N 3.077 125.847 122.820 -0.084 0.000 2.492 463 A HA 0.316 4.637 4.320 0.001 0.000 0.236 463 A C 1.796 179.314 177.584 -0.109 0.000 1.078 463 A CA 0.416 52.398 52.037 -0.091 0.000 0.773 463 A CB -0.476 18.448 19.000 -0.128 0.000 1.023 463 A HN 0.618 nan 8.150 nan 0.000 0.504 464 A N 0.544 123.363 122.820 -0.002 0.000 1.908 464 A HA -0.187 4.133 4.320 0.001 0.000 0.218 464 A C 1.762 179.373 177.584 0.045 0.000 1.181 464 A CA 1.925 53.977 52.037 0.027 0.000 0.627 464 A CB -1.021 18.017 19.000 0.063 0.000 0.818 464 A HN 1.117 nan 8.150 nan 0.000 0.445 465 H N -1.341 117.750 119.070 0.035 0.000 2.555 465 H HA 0.158 4.715 4.556 0.001 0.000 0.269 465 H C 1.234 176.688 175.328 0.210 0.000 0.988 465 H CA 1.017 57.117 56.048 0.086 0.000 1.178 465 H CB -0.203 29.561 29.762 0.004 0.000 1.373 465 H HN 0.526 nan 8.280 nan 0.000 0.588 466 R N 0.170 120.531 120.500 -0.231 0.000 2.437 466 R HA 0.358 4.699 4.340 0.001 0.000 0.257 466 R C 1.394 177.679 176.300 -0.026 0.000 0.927 466 R CA 0.455 56.516 56.100 -0.065 0.000 1.078 466 R CB 0.753 30.958 30.300 -0.157 0.000 1.161 466 R HN 0.251 nan 8.270 nan 0.000 0.529 467 A N 0.683 123.474 122.820 -0.047 0.000 2.275 467 A HA 0.250 4.571 4.320 0.001 0.000 0.212 467 A C 1.183 178.682 177.584 -0.142 0.000 1.201 467 A CA 0.425 52.419 52.037 -0.071 0.000 0.843 467 A CB 0.114 19.075 19.000 -0.066 0.000 0.873 467 A HN 0.320 nan 8.150 nan 0.000 0.492 468 G N -1.037 107.681 108.800 -0.136 0.000 2.975 468 G HA2 0.370 4.331 3.960 0.001 0.000 0.159 468 G HA3 0.370 4.331 3.960 0.001 0.000 0.159 468 G C -0.651 174.039 174.900 -0.351 0.000 1.525 468 G CA -0.891 44.027 45.100 -0.304 0.000 1.075 468 G HN 0.432 nan 8.290 nan 0.000 0.574 469 W N 1.323 122.610 121.300 -0.022 0.000 2.345 469 W HA 0.549 5.209 4.660 0.001 0.000 0.308 469 W C 0.199 176.621 176.519 -0.161 0.000 1.273 469 W CA -0.502 56.796 57.345 -0.079 0.000 1.243 469 W CB 0.966 30.387 29.460 -0.065 0.000 1.260 469 W HN -0.089 nan 8.180 nan 0.000 0.509 470 K N 2.163 122.516 120.400 -0.078 0.000 2.426 470 K HA 0.181 4.501 4.320 0.001 0.000 0.251 470 K C -0.100 175.956 176.600 -0.907 0.000 0.941 470 K CA -0.649 55.440 56.287 -0.330 0.000 0.808 470 K CB 2.005 34.391 32.500 -0.189 0.000 1.265 470 K HN 0.524 nan 8.250 nan 0.000 0.432 471 D N -1.444 118.630 120.400 -0.543 0.000 2.469 471 D HA 0.084 4.725 4.640 0.001 0.000 0.215 471 D C -0.436 175.966 176.300 0.170 0.000 1.154 471 D CA -0.035 53.703 54.000 -0.435 0.000 0.832 471 D CB 0.621 41.475 40.800 0.090 0.000 1.008 471 D HN 0.236 nan 8.370 nan 0.000 0.506 472 T N -0.191 114.490 114.554 0.211 0.000 2.933 472 T HA 0.576 4.926 4.350 0.001 0.000 0.305 472 T C -1.518 173.498 174.700 0.526 0.000 1.092 472 T CA -0.794 61.595 62.100 0.481 0.000 1.008 472 T CB 2.567 71.619 68.868 0.307 0.000 1.102 472 T HN -0.063 nan 8.240 nan 0.000 0.469 473 V N 2.568 122.802 119.914 0.533 0.000 2.808 473 V HA 0.591 4.712 4.120 0.001 0.000 0.308 473 V C -0.707 175.584 176.094 0.329 0.000 1.099 473 V CA -1.002 61.540 62.300 0.404 0.000 0.920 473 V CB 1.949 33.985 31.823 0.355 0.000 1.014 473 V HN 0.855 nan 8.190 nan 0.000 0.425 474 K N 4.380 124.926 120.400 0.244 0.000 2.412 474 K HA 0.521 4.842 4.320 0.001 0.000 0.281 474 K C -1.207 175.510 176.600 0.195 0.000 1.027 474 K CA -0.093 56.320 56.287 0.209 0.000 0.989 474 K CB 0.925 33.515 32.500 0.149 0.000 0.935 474 K HN 0.567 nan 8.250 nan 0.000 0.475 475 V N 4.751 124.803 119.914 0.229 0.000 2.483 475 V HA 0.292 4.413 4.120 0.001 0.000 0.297 475 V C -0.765 175.461 176.094 0.220 0.000 1.027 475 V CA -0.577 61.846 62.300 0.205 0.000 0.855 475 V CB 1.479 33.429 31.823 0.212 0.000 0.995 475 V HN 0.926 nan 8.190 nan 0.000 0.424 476 E N 3.561 123.851 120.200 0.150 0.000 2.738 476 E HA 0.427 4.777 4.350 0.001 0.000 0.347 476 E C 0.639 177.289 176.600 0.084 0.000 1.077 476 E CA 0.482 56.946 56.400 0.107 0.000 0.755 476 E CB 0.886 30.618 29.700 0.054 0.000 1.576 476 E HN 1.054 nan 8.360 nan 0.000 0.379 477 G N 2.992 111.854 108.800 0.104 0.000 2.168 477 G HA2 -0.292 3.669 3.960 0.001 0.000 0.263 477 G HA3 -0.292 3.669 3.960 0.001 0.000 0.263 477 G C 0.217 175.146 174.900 0.049 0.000 0.977 477 G CA 0.697 45.839 45.100 0.070 0.000 0.659 477 G HN 0.525 nan 8.290 nan 0.000 0.533 478 N N -1.659 117.072 118.700 0.052 0.000 3.479 478 N HA 0.684 5.425 4.740 0.001 0.000 0.336 478 N C -0.830 174.695 175.510 0.025 0.000 1.623 478 N CA 0.206 53.275 53.050 0.032 0.000 0.759 478 N CB 1.662 40.167 38.487 0.029 0.000 2.016 478 N HN 0.240 nan 8.380 nan 0.000 0.637 479 V N 0.547 120.468 119.914 0.012 0.000 2.680 479 V HA 0.594 4.715 4.120 0.001 0.000 0.309 479 V C -0.349 175.746 176.094 0.002 0.000 1.052 479 V CA -0.587 61.710 62.300 -0.005 0.000 0.908 479 V CB 1.545 33.357 31.823 -0.019 0.000 1.001 479 V HN 0.610 nan 8.190 nan 0.000 0.431 480 S N 2.514 118.209 115.700 -0.008 0.000 2.607 480 S HA 0.695 5.166 4.470 0.001 0.000 0.303 480 S C -0.776 173.813 174.600 -0.020 0.000 1.086 480 S CA -0.713 57.489 58.200 0.003 0.000 0.995 480 S CB 2.077 65.297 63.200 0.034 0.000 1.084 480 S HN 0.833 nan 8.310 nan 0.000 0.507 481 E N 1.182 121.373 120.200 -0.014 0.000 2.275 481 E HA 0.583 4.934 4.350 0.001 0.000 0.270 481 E C -1.575 174.998 176.600 -0.044 0.000 0.882 481 E CA -0.778 55.608 56.400 -0.023 0.000 0.758 481 E CB 1.536 31.227 29.700 -0.014 0.000 1.195 481 E HN 0.507 nan 8.360 nan 0.000 0.419 482 V N 1.802 121.660 119.914 -0.092 0.000 2.823 482 V HA 0.649 4.770 4.120 0.001 0.000 0.312 482 V C -1.180 174.841 176.094 -0.121 0.000 1.072 482 V CA -1.086 61.099 62.300 -0.192 0.000 0.937 482 V CB 1.623 33.031 31.823 -0.692 0.000 1.013 482 V HN 0.634 nan 8.190 nan 0.000 0.430 483 L N 5.581 126.772 121.223 -0.053 0.000 2.262 483 L HA 0.778 5.118 4.340 0.001 0.000 0.288 483 L C -0.149 176.745 176.870 0.040 0.000 1.035 483 L CA -0.087 54.759 54.840 0.010 0.000 0.820 483 L CB 1.209 43.273 42.059 0.007 0.000 1.204 483 L HN 0.929 nan 8.230 nan 0.000 0.424 484 V N 2.381 122.243 119.914 -0.087 0.000 2.815 484 V HA 0.746 4.866 4.120 0.001 0.000 0.314 484 V C -0.694 175.231 176.094 -0.281 0.000 1.064 484 V CA -0.838 61.283 62.300 -0.297 0.000 0.952 484 V CB 1.738 33.044 31.823 -0.861 0.000 1.020 484 V HN 0.856 nan 8.190 nan 0.000 0.439 485 K N 2.638 122.754 120.400 -0.472 0.000 2.535 485 K HA 0.614 4.935 4.320 0.001 0.000 0.251 485 K C -2.173 174.064 176.600 -0.605 0.000 0.942 485 K CA -0.593 55.408 56.287 -0.475 0.000 0.798 485 K CB 2.050 34.246 32.500 -0.506 0.000 1.267 485 K HN 0.652 nan 8.250 nan 0.000 0.434 486 F N 3.029 122.960 119.950 -0.031 0.000 2.411 486 F HA 0.348 4.876 4.527 0.001 0.000 0.352 486 F C 1.045 176.807 175.800 -0.063 0.000 1.123 486 F CA -0.843 57.162 58.000 0.008 0.000 1.044 486 F CB 1.457 40.558 39.000 0.169 0.000 1.135 486 F HN 0.513 nan 8.300 nan 0.000 0.461 487 N N 1.426 120.098 118.700 -0.048 0.000 2.398 487 N HA -0.006 4.735 4.740 0.001 0.000 0.188 487 N C -0.232 174.908 175.510 -0.617 0.000 1.122 487 N CA 0.388 53.214 53.050 -0.374 0.000 0.866 487 N CB -0.017 38.132 38.487 -0.564 0.000 0.970 487 N HN 0.525 nan 8.380 nan 0.000 0.462 488 H N -0.465 118.733 119.070 0.213 0.000 2.980 488 H HA 0.273 4.830 4.556 0.001 0.000 0.367 488 H C -0.664 174.791 175.328 0.213 0.000 1.206 488 H CA -0.597 55.564 56.048 0.188 0.000 1.126 488 H CB 1.560 31.439 29.762 0.194 0.000 1.838 488 H HN -0.062 nan 8.280 nan 0.000 0.552 489 D N 0.666 121.192 120.400 0.210 0.000 2.313 489 D HA 0.475 5.115 4.640 0.001 0.000 0.247 489 D C -0.225 176.001 176.300 -0.123 0.000 1.094 489 D CA -0.246 53.791 54.000 0.062 0.000 0.925 489 D CB 1.844 42.658 40.800 0.024 0.000 1.188 489 D HN 0.552 nan 8.370 nan 0.000 0.430 490 A N 2.517 125.167 122.820 -0.283 0.000 2.414 490 A HA 0.515 4.836 4.320 0.001 0.000 0.286 490 A C -2.677 174.728 177.584 -0.297 0.000 1.073 490 A CA -1.189 50.534 52.037 -0.524 0.000 0.727 490 A CB 1.971 20.234 19.000 -1.229 0.000 1.215 490 A HN 0.249 nan 8.150 nan 0.000 0.430 491 P HA 0.258 nan 4.420 nan 0.000 0.282 491 P C 0.438 177.648 177.300 -0.150 0.000 1.287 491 P CA -0.503 62.523 63.100 -0.123 0.000 0.792 491 P CB 1.005 32.668 31.700 -0.061 0.000 1.163 492 K N 0.092 120.418 120.400 -0.124 0.000 2.209 492 K HA -0.153 4.168 4.320 0.001 0.000 0.204 492 K C 1.097 177.585 176.600 -0.188 0.000 1.048 492 K CA 1.699 57.900 56.287 -0.144 0.000 0.940 492 K CB -0.512 31.922 32.500 -0.111 0.000 0.729 492 K HN 0.190 nan 8.250 nan 0.000 0.451 493 E N 0.366 120.445 120.200 -0.202 0.000 2.358 493 E HA -0.008 4.342 4.350 0.001 0.000 0.195 493 E C 0.003 176.170 176.600 -0.722 0.000 1.010 493 E CA 0.665 56.846 56.400 -0.365 0.000 0.856 493 E CB 0.209 29.741 29.700 -0.280 0.000 0.795 493 E HN 0.413 nan 8.360 nan 0.000 0.504 494 H N -0.778 118.200 119.070 -0.153 0.000 2.597 494 H HA 0.460 5.016 4.556 0.001 0.000 0.225 494 H C -0.706 174.451 175.328 -0.284 0.000 1.422 494 H CA -0.531 55.411 56.048 -0.177 0.000 1.335 494 H CB 0.121 29.792 29.762 -0.152 0.000 1.783 494 H HN 0.047 nan 8.280 nan 0.000 0.513 495 A N 0.996 123.675 122.820 -0.236 0.000 2.366 495 A HA 0.337 4.657 4.320 0.001 0.000 0.249 495 A C -0.527 176.809 177.584 -0.415 0.000 1.084 495 A CA -0.193 51.630 52.037 -0.357 0.000 0.794 495 A CB 0.377 19.217 19.000 -0.267 0.000 1.034 495 A HN 0.323 nan 8.150 nan 0.000 0.491 496 Y N 0.699 120.630 120.300 -0.616 0.000 2.336 496 Y HA 0.303 4.854 4.550 0.001 0.000 0.331 496 Y C 0.830 176.296 175.900 -0.724 0.000 1.211 496 Y CA -0.369 57.285 58.100 -0.744 0.000 1.346 496 Y CB 0.558 38.248 38.460 -1.283 0.000 1.271 496 Y HN 0.434 nan 8.280 nan 0.000 0.538 497 M N 2.228 121.528 119.600 -0.500 0.000 2.367 497 M HA 0.587 5.067 4.480 0.001 0.000 0.339 497 M C -0.381 175.874 176.300 -0.074 0.000 1.177 497 M CA -0.861 54.155 55.300 -0.474 0.000 1.068 497 M CB 1.259 33.289 32.600 -0.950 0.000 1.602 497 M HN 0.686 nan 8.290 nan 0.000 0.457 498 A N 2.840 125.785 122.820 0.207 0.000 2.343 498 A HA 0.785 5.105 4.320 0.001 0.000 0.308 498 A C -1.091 176.501 177.584 0.013 0.000 1.092 498 A CA -0.502 51.634 52.037 0.164 0.000 0.751 498 A CB 0.607 19.958 19.000 0.585 0.000 1.203 498 A HN 1.051 nan 8.150 nan 0.000 0.452 499 H N -1.245 117.495 119.070 -0.549 0.000 3.068 499 H HA 0.526 5.082 4.556 0.001 0.000 0.342 499 H C -0.694 174.500 175.328 -0.223 0.000 1.284 499 H CA -0.719 55.185 56.048 -0.241 0.000 1.181 499 H CB 0.347 30.070 29.762 -0.064 0.000 1.898 499 H HN 0.779 nan 8.280 nan 0.000 0.540 500 C N 2.588 122.073 119.300 0.309 0.000 2.634 500 C HA 0.036 4.497 4.460 0.001 0.000 0.418 500 C C 1.233 176.492 174.990 0.448 0.000 1.373 500 C CA 0.164 59.444 59.018 0.437 0.000 1.756 500 C CB -0.928 27.149 27.740 0.562 0.000 2.589 500 C HN 1.006 nan 8.230 nan 0.000 0.602 501 H N 3.993 123.253 119.070 0.316 0.000 2.517 501 H HA 0.200 4.756 4.556 0.001 0.000 0.282 501 H C 0.434 175.898 175.328 0.226 0.000 1.023 501 H CA 0.114 56.353 56.048 0.318 0.000 1.169 501 H CB 0.110 30.035 29.762 0.271 0.000 1.454 501 H HN 0.696 nan 8.280 nan 0.000 0.556 502 L N 2.090 123.482 121.223 0.282 0.000 2.433 502 L HA 0.024 4.365 4.340 0.001 0.000 0.284 502 L C 0.999 177.920 176.870 0.084 0.000 1.120 502 L CA -0.239 54.662 54.840 0.101 0.000 0.879 502 L CB 0.162 42.151 42.059 -0.117 0.000 1.232 502 L HN 0.231 nan 8.230 nan 0.000 0.454 503 L N 2.746 124.020 121.223 0.085 0.000 2.079 503 L HA -0.221 4.120 4.340 0.001 0.000 0.210 503 L C 1.906 178.820 176.870 0.074 0.000 1.081 503 L CA 1.122 55.981 54.840 0.033 0.000 0.752 503 L CB -0.258 41.803 42.059 0.002 0.000 0.896 503 L HN 0.667 nan 8.230 nan 0.000 0.433 504 E N -0.838 119.426 120.200 0.107 0.000 2.150 504 E HA -0.164 4.187 4.350 0.001 0.000 0.193 504 E C 1.983 178.727 176.600 0.241 0.000 0.985 504 E CA 0.989 57.482 56.400 0.155 0.000 0.814 504 E CB -0.253 29.539 29.700 0.153 0.000 0.752 504 E HN 0.561 nan 8.360 nan 0.000 0.466 505 H N -0.184 118.981 119.070 0.159 0.000 2.326 505 H HA -0.089 4.467 4.556 0.001 0.000 0.301 505 H C 2.159 177.577 175.328 0.150 0.000 1.081 505 H CA 1.104 57.259 56.048 0.178 0.000 1.334 505 H CB 0.126 30.043 29.762 0.258 0.000 1.385 505 H HN 0.222 nan 8.280 nan 0.000 0.504 506 E N 1.013 121.373 120.200 0.265 0.000 2.049 506 E HA -0.240 4.110 4.350 0.001 0.000 0.198 506 E C 1.381 178.028 176.600 0.078 0.000 1.007 506 E CA 1.779 58.252 56.400 0.121 0.000 0.809 506 E CB 0.011 29.704 29.700 -0.012 0.000 0.749 506 E HN 0.404 nan 8.360 nan 0.000 0.450 507 D N -0.355 120.089 120.400 0.075 0.000 2.309 507 D HA -0.098 4.543 4.640 0.001 0.000 0.212 507 D C 1.491 177.851 176.300 0.100 0.000 0.968 507 D CA 1.614 55.655 54.000 0.069 0.000 0.882 507 D CB -0.047 40.782 40.800 0.049 0.000 0.918 507 D HN 0.364 nan 8.370 nan 0.000 0.503 508 T N -3.956 110.678 114.554 0.135 0.000 3.176 508 T HA 0.495 4.845 4.350 0.001 0.000 0.263 508 T C 1.291 176.077 174.700 0.144 0.000 1.021 508 T CA 0.238 62.414 62.100 0.127 0.000 0.905 508 T CB 0.852 69.796 68.868 0.125 0.000 1.057 508 T HN 0.123 nan 8.240 nan 0.000 0.558 509 G N 1.571 110.480 108.800 0.182 0.000 2.260 509 G HA2 -0.174 3.786 3.960 0.001 0.000 0.179 509 G HA3 -0.174 3.786 3.960 0.001 0.000 0.179 509 G C 0.173 175.200 174.900 0.212 0.000 1.002 509 G CA -0.138 45.092 45.100 0.217 0.000 0.677 509 G HN 0.522 nan 8.290 nan 0.000 0.486 510 M N 1.422 121.136 119.600 0.190 0.000 3.596 510 M HA 0.725 5.206 4.480 0.001 0.000 0.219 510 M C 0.051 176.497 176.300 0.243 0.000 1.471 510 M CA 0.285 55.709 55.300 0.207 0.000 1.644 510 M CB -0.362 32.365 32.600 0.212 0.000 1.083 510 M HN 0.424 nan 8.290 nan 0.000 0.579 511 M N 3.165 122.896 119.600 0.218 0.000 2.534 511 M HA 0.560 5.040 4.480 0.001 0.000 0.280 511 M C -2.262 174.187 176.300 0.248 0.000 1.217 511 M CA -0.891 54.491 55.300 0.138 0.000 0.893 511 M CB 1.981 34.432 32.600 -0.249 0.000 1.730 511 M HN 0.342 nan 8.290 nan 0.000 0.483 512 L N 1.042 122.414 121.223 0.247 0.000 2.409 512 L HA 1.079 5.419 4.340 0.001 0.000 0.262 512 L C -0.562 176.467 176.870 0.265 0.000 0.992 512 L CA -0.358 54.686 54.840 0.340 0.000 0.817 512 L CB 1.699 43.930 42.059 0.286 0.000 1.350 512 L HN 0.650 nan 8.230 nan 0.000 0.411 513 G N 1.025 109.994 108.800 0.282 0.000 2.400 513 G HA2 0.662 4.623 3.960 0.001 0.000 0.301 513 G HA3 0.662 4.623 3.960 0.001 0.000 0.301 513 G C -1.159 173.733 174.900 -0.014 0.000 1.154 513 G CA -0.438 44.722 45.100 0.100 0.000 0.852 513 G HN 0.897 nan 8.290 nan 0.000 0.511 514 F N -0.224 119.577 119.950 -0.247 0.000 2.613 514 F HA 0.779 5.307 4.527 0.001 0.000 0.310 514 F C 0.054 175.713 175.800 -0.234 0.000 1.085 514 F CA -1.324 56.407 58.000 -0.449 0.000 0.945 514 F CB 1.288 39.780 39.000 -0.847 0.000 1.298 514 F HN 0.636 nan 8.300 nan 0.000 0.455 515 T N -0.132 114.350 114.554 -0.120 0.000 2.927 515 T HA 0.812 5.163 4.350 0.001 0.000 0.281 515 T C -0.918 173.798 174.700 0.027 0.000 0.998 515 T CA -0.745 61.271 62.100 -0.141 0.000 1.019 515 T CB 1.716 70.532 68.868 -0.087 0.000 1.061 515 T HN 0.723 nan 8.240 nan 0.000 0.518 516 V N 0.818 120.713 119.914 -0.032 0.000 2.638 516 V HA 0.847 4.968 4.120 0.001 0.000 0.306 516 V C 0.460 176.593 176.094 0.064 0.000 1.052 516 V CA -0.263 62.091 62.300 0.089 0.000 0.885 516 V CB 1.434 33.346 31.823 0.150 0.000 0.999 516 V HN 1.444 nan 8.190 nan 0.000 0.424 517 G N 0.000 108.860 108.800 0.099 0.000 5.446 517 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 517 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 517 G CA 0.000 45.143 45.100 0.072 0.000 0.502 517 G HN 0.000 nan 8.290 nan 0.000 0.925