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 2c25_1_A DATA FIRST_RESID 1 DATA SEQUENCE SVVVISQALP VPTRIPGVAD LVGFGNGGVY IIRNSLLIQV VKVINNFGYD DATA SEQUENCE AGGWRVEKHV RLLADTTGDN QSDVVGFGEN GVWISTNNGN NTFVDPPKMV DATA SEQUENCE LANFAYAAGG WRVEKHIRFM ADLRKTGRAD IVGFGDGGIY ISRNNGGGQF DATA SEQUENCE APAQLALNNF GYAQGWRLDR HLRFLADVTG DGLLDVVGFG ENQVYIARNS DATA SEQUENCE GNGTFQPAQA VVNNFCIGAG GWTISAHPRV VADLTGDRKA DILGFGVAGV DATA SEQUENCE YTSLNNGNGT FGAVNLVLKD FGVNSGWRVE KHVRCVSSLT NKKVGDIIGF DATA SEQUENCE GDAGVYVALN NGNGTFGPVK RVIDNFGYNQ GWRVDKHPRF VVDLTGDGCA DATA SEQUENCE DIVGFGENSV WACMNKGDGT FGPIMKLIDD MTVSKGWTLQ KTVRYAANLY DATA SEQUENCE L 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 1 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.612 174.600 0.020 0.000 1.055 1 S CA 0.000 58.215 58.200 0.025 0.000 1.107 1 S CB 0.000 63.222 63.200 0.038 0.000 0.593 2 V N 0.300 120.226 119.914 0.021 0.000 3.126 2 V HA 0.731 4.848 4.120 -0.004 0.000 0.314 2 V C -0.790 175.315 176.094 0.019 0.000 1.138 2 V CA -0.812 61.498 62.300 0.017 0.000 1.034 2 V CB 2.098 33.929 31.823 0.014 0.000 1.075 2 V HN 1.046 nan 8.190 nan 0.000 0.442 3 V N 4.257 124.179 119.914 0.014 0.000 2.403 3 V HA 0.273 4.390 4.120 -0.004 0.000 0.265 3 V C -0.087 176.016 176.094 0.015 0.000 1.034 3 V CA 0.142 62.448 62.300 0.009 0.000 1.036 3 V CB 0.546 32.372 31.823 0.004 0.000 1.032 3 V HN 0.506 nan 8.190 nan 0.000 0.478 4 V N 6.915 126.839 119.914 0.017 0.000 2.604 4 V HA 0.531 4.648 4.120 -0.004 0.000 0.305 4 V C -0.195 175.895 176.094 -0.005 0.000 1.043 4 V CA -0.544 61.778 62.300 0.037 0.000 0.888 4 V CB 2.222 34.087 31.823 0.070 0.000 0.995 4 V HN 0.662 nan 8.190 nan 0.000 0.429 5 I N 4.326 124.856 120.570 -0.066 0.000 2.362 5 I HA 0.595 4.762 4.170 -0.004 0.000 0.289 5 I C 0.236 176.168 176.117 -0.308 0.000 0.994 5 I CA 0.082 61.197 61.300 -0.308 0.000 1.158 5 I CB 1.891 39.541 38.000 -0.583 0.000 1.315 5 I HN 0.769 nan 8.210 nan 0.000 0.451 6 S N 3.701 119.245 115.700 -0.259 0.000 2.709 6 S HA 0.412 4.880 4.470 -0.004 0.000 0.302 6 S C 0.377 174.934 174.600 -0.072 0.000 1.127 6 S CA -0.754 57.315 58.200 -0.218 0.000 0.905 6 S CB 1.934 65.136 63.200 0.003 0.000 1.151 6 S HN 0.635 nan 8.310 nan 0.000 0.510 7 Q N 0.244 120.008 119.800 -0.060 0.000 2.084 7 Q HA -0.034 4.303 4.340 -0.004 0.000 0.202 7 Q C 2.345 178.415 176.000 0.117 0.000 0.978 7 Q CA 1.670 57.541 55.803 0.113 0.000 0.844 7 Q CB -0.527 28.202 28.738 -0.015 0.000 0.898 7 Q HN 0.872 nan 8.270 nan 0.000 0.426 8 A N 0.334 123.196 122.820 0.070 0.000 1.929 8 A HA 0.003 4.320 4.320 -0.004 0.000 0.216 8 A C 1.034 178.728 177.584 0.183 0.000 1.176 8 A CA 0.774 52.889 52.037 0.129 0.000 0.628 8 A CB 0.176 19.253 19.000 0.129 0.000 0.816 8 A HN 0.259 nan 8.150 nan 0.000 0.444 9 L N 0.165 121.474 121.223 0.144 0.000 2.488 9 L HA 0.279 4.616 4.340 -0.004 0.000 0.250 9 L C -2.089 174.800 176.870 0.032 0.000 1.280 9 L CA -1.286 53.635 54.840 0.135 0.000 0.929 9 L CB 2.120 44.260 42.059 0.135 0.000 1.200 9 L HN 0.102 nan 8.230 nan 0.000 0.495 10 P HA -0.000 nan 4.420 nan 0.000 0.241 10 P C 0.350 177.568 177.300 -0.137 0.000 1.191 10 P CA 0.494 63.566 63.100 -0.047 0.000 0.771 10 P CB 0.656 32.485 31.700 0.215 0.000 0.929 11 V N 3.013 122.823 119.914 -0.173 0.000 2.284 11 V HA 0.286 4.403 4.120 -0.004 0.000 0.274 11 V C -2.259 173.746 176.094 -0.148 0.000 1.023 11 V CA -1.860 60.292 62.300 -0.247 0.000 0.808 11 V CB 1.016 32.522 31.823 -0.529 0.000 1.035 11 V HN -0.014 nan 8.190 nan 0.000 0.445 12 P HA 0.402 nan 4.420 nan 0.000 0.272 12 P C -0.138 177.132 177.300 -0.050 0.000 1.230 12 P CA -0.002 63.063 63.100 -0.059 0.000 0.788 12 P CB 0.652 32.323 31.700 -0.048 0.000 0.949 13 T N -1.180 113.362 114.554 -0.020 0.000 2.907 13 T HA 0.570 4.917 4.350 -0.004 0.000 0.292 13 T C -0.123 174.583 174.700 0.010 0.000 1.043 13 T CA -1.173 60.922 62.100 -0.008 0.000 1.003 13 T CB 1.435 70.305 68.868 0.002 0.000 1.084 13 T HN 0.192 nan 8.240 nan 0.000 0.483 14 R N 1.143 121.651 120.500 0.013 0.000 2.410 14 R HA 0.532 4.870 4.340 -0.004 0.000 0.288 14 R C -0.405 175.911 176.300 0.026 0.000 1.051 14 R CA -0.759 55.352 56.100 0.018 0.000 1.021 14 R CB 0.734 31.045 30.300 0.017 0.000 1.032 14 R HN 0.575 nan 8.270 nan 0.000 0.481 15 I N 4.697 125.282 120.570 0.025 0.000 2.411 15 I HA 0.268 4.435 4.170 -0.004 0.000 0.284 15 I C -1.998 174.130 176.117 0.018 0.000 1.012 15 I CA -2.282 59.033 61.300 0.026 0.000 1.119 15 I CB 1.576 39.594 38.000 0.029 0.000 1.261 15 I HN 0.342 nan 8.210 nan 0.000 0.448 16 P HA 0.560 nan 4.420 nan 0.000 0.276 16 P C -0.179 177.135 177.300 0.023 0.000 1.252 16 P CA -0.028 63.083 63.100 0.019 0.000 0.802 16 P CB 1.700 33.408 31.700 0.013 0.000 1.035 17 G N -1.148 107.669 108.800 0.028 0.000 2.466 17 G HA2 0.469 4.426 3.960 -0.004 0.000 0.291 17 G HA3 0.469 4.426 3.960 -0.004 0.000 0.291 17 G C -1.443 173.481 174.900 0.040 0.000 1.460 17 G CA -0.653 44.467 45.100 0.034 0.000 0.791 17 G HN 0.458 nan 8.290 nan 0.000 0.505 18 V N -1.733 118.210 119.914 0.047 0.000 2.313 18 V HA 0.778 4.896 4.120 -0.004 0.000 0.262 18 V C 0.658 176.790 176.094 0.063 0.000 1.011 18 V CA -0.394 61.937 62.300 0.053 0.000 0.858 18 V CB 0.263 32.116 31.823 0.050 0.000 1.104 18 V HN 1.700 nan 8.190 nan 0.000 0.456 19 A N 3.029 125.886 122.820 0.062 0.000 2.462 19 A HA 0.497 4.814 4.320 -0.004 0.000 0.243 19 A C 0.279 177.908 177.584 0.075 0.000 1.076 19 A CA -0.076 51.998 52.037 0.063 0.000 0.773 19 A CB 0.101 19.136 19.000 0.058 0.000 1.010 19 A HN 0.784 nan 8.150 nan 0.000 0.493 20 D N 0.538 120.985 120.400 0.078 0.000 2.387 20 D HA 0.505 5.142 4.640 -0.004 0.000 0.251 20 D C -0.310 176.055 176.300 0.108 0.000 1.141 20 D CA 0.052 54.107 54.000 0.092 0.000 0.987 20 D CB 0.995 41.854 40.800 0.098 0.000 1.116 20 D HN 0.407 nan 8.370 nan 0.000 0.491 21 L N 0.476 121.774 121.223 0.126 0.000 2.329 21 L HA 0.505 4.842 4.340 -0.004 0.000 0.279 21 L C -0.541 176.419 176.870 0.149 0.000 1.014 21 L CA -0.953 54.005 54.840 0.197 0.000 0.814 21 L CB 1.943 44.147 42.059 0.243 0.000 1.257 21 L HN -0.043 nan 8.230 nan 0.000 0.424 22 V N 1.276 121.282 119.914 0.152 0.000 2.531 22 V HA 0.728 4.846 4.120 -0.004 0.000 0.301 22 V C 0.135 176.258 176.094 0.049 0.000 1.034 22 V CA -0.489 61.842 62.300 0.050 0.000 0.865 22 V CB 1.884 33.713 31.823 0.010 0.000 0.995 22 V HN 0.886 nan 8.190 nan 0.000 0.424 23 G N 2.877 111.686 108.800 0.015 0.000 2.609 23 G HA2 0.653 4.611 3.960 -0.004 0.000 0.308 23 G HA3 0.653 4.611 3.960 -0.004 0.000 0.308 23 G C -1.142 173.929 174.900 0.286 0.000 1.369 23 G CA -0.427 44.797 45.100 0.206 0.000 0.958 23 G HN 0.458 nan 8.290 nan 0.000 0.499 24 F N 2.823 122.998 119.950 0.376 0.000 2.406 24 F HA 0.441 4.964 4.527 -0.005 0.000 0.358 24 F C 1.277 177.166 175.800 0.148 0.000 1.161 24 F CA -0.239 57.896 58.000 0.226 0.000 1.185 24 F CB 1.229 40.286 39.000 0.095 0.000 1.421 24 F HN 0.528 nan 8.300 nan 0.000 0.576 25 G N 1.624 110.489 108.800 0.107 0.000 2.537 25 G HA2 0.076 4.033 3.960 -0.004 0.000 0.297 25 G HA3 0.076 4.033 3.960 -0.004 0.000 0.297 25 G C 0.834 175.602 174.900 -0.220 0.000 1.310 25 G CA -0.658 44.024 45.100 -0.697 0.000 1.027 25 G HN 0.412 nan 8.290 nan 0.000 0.505 26 N N 0.116 118.608 118.700 -0.346 0.000 2.149 26 N HA -0.120 4.617 4.740 -0.004 0.000 0.188 26 N C 2.045 177.588 175.510 0.054 0.000 1.019 26 N CA 1.544 54.551 53.050 -0.071 0.000 0.857 26 N CB -0.196 38.210 38.487 -0.134 0.000 0.997 26 N HN 0.523 nan 8.380 nan 0.000 0.426 27 G N -0.923 107.933 108.800 0.093 0.000 3.042 27 G HA2 0.446 4.403 3.960 -0.004 0.000 0.212 27 G HA3 0.446 4.403 3.960 -0.004 0.000 0.212 27 G C 0.654 175.604 174.900 0.083 0.000 1.166 27 G CA 0.533 45.715 45.100 0.137 0.000 0.767 27 G HN 0.656 nan 8.290 nan 0.000 0.546 28 G N -1.215 107.642 108.800 0.096 0.000 2.265 28 G HA2 0.102 4.059 3.960 -0.004 0.000 0.246 28 G HA3 0.102 4.059 3.960 -0.004 0.000 0.246 28 G C -1.132 173.710 174.900 -0.097 0.000 1.299 28 G CA -0.273 44.806 45.100 -0.036 0.000 1.117 28 G HN 0.600 nan 8.290 nan 0.000 0.485 29 V N 0.973 120.706 119.914 -0.301 0.000 2.439 29 V HA 0.689 4.806 4.120 -0.004 0.000 0.282 29 V C -0.639 175.147 176.094 -0.514 0.000 1.039 29 V CA -0.185 61.874 62.300 -0.402 0.000 0.913 29 V CB 0.756 32.249 31.823 -0.551 0.000 0.983 29 V HN 0.614 nan 8.190 nan 0.000 0.460 30 Y N 4.517 124.757 120.300 -0.100 0.000 2.512 30 Y HA 0.748 5.295 4.550 -0.005 0.000 0.348 30 Y C 0.118 175.986 175.900 -0.054 0.000 0.990 30 Y CA -0.963 57.135 58.100 -0.003 0.000 1.033 30 Y CB 2.060 40.605 38.460 0.142 0.000 1.259 30 Y HN 0.642 nan 8.280 nan 0.000 0.461 31 I N 0.336 120.989 120.570 0.138 0.000 2.785 31 I HA 0.715 4.883 4.170 -0.004 0.000 0.302 31 I C -1.415 174.771 176.117 0.116 0.000 1.069 31 I CA -1.098 60.260 61.300 0.097 0.000 1.045 31 I CB 2.479 40.535 38.000 0.094 0.000 1.236 31 I HN 0.516 nan 8.210 nan 0.000 0.429 32 I N 4.175 124.803 120.570 0.097 0.000 2.359 32 I HA 0.381 4.548 4.170 -0.004 0.000 0.284 32 I C -0.121 176.050 176.117 0.089 0.000 1.018 32 I CA -0.569 60.778 61.300 0.078 0.000 1.173 32 I CB 1.273 39.301 38.000 0.047 0.000 1.326 32 I HN 0.586 nan 8.210 nan 0.000 0.462 33 R N 5.333 125.891 120.500 0.098 0.000 2.401 33 R HA 0.091 4.429 4.340 -0.004 0.000 0.299 33 R C 0.161 176.509 176.300 0.080 0.000 1.064 33 R CA -0.042 56.126 56.100 0.113 0.000 1.000 33 R CB 0.262 30.635 30.300 0.122 0.000 0.973 33 R HN 0.481 nan 8.270 nan 0.000 0.438 34 N N 2.664 121.415 118.700 0.084 0.000 2.416 34 N HA 0.027 4.765 4.740 -0.004 0.000 0.271 34 N C -1.459 174.082 175.510 0.052 0.000 1.245 34 N CA 0.661 53.749 53.050 0.063 0.000 0.940 34 N CB 0.150 38.678 38.487 0.068 0.000 1.175 34 N HN 0.743 nan 8.380 nan 0.000 0.483 35 S N 2.127 117.849 115.700 0.036 0.000 2.656 35 S HA 0.220 4.687 4.470 -0.004 0.000 0.265 35 S C 0.881 175.492 174.600 0.017 0.000 1.132 35 S CA -0.825 57.390 58.200 0.025 0.000 0.819 35 S CB 0.132 63.346 63.200 0.023 0.000 1.119 35 S HN 0.210 nan 8.310 nan 0.000 0.476 36 L N -0.146 121.084 121.223 0.011 0.000 2.362 36 L HA 0.180 4.517 4.340 -0.004 0.000 0.219 36 L C 0.568 177.442 176.870 0.006 0.000 1.134 36 L CA 0.851 55.696 54.840 0.008 0.000 0.807 36 L CB -0.475 41.587 42.059 0.005 0.000 0.927 36 L HN 0.564 nan 8.230 nan 0.000 0.447 37 L N 0.890 122.118 121.223 0.008 0.000 2.276 37 L HA 0.431 4.769 4.340 -0.004 0.000 0.286 37 L C -0.371 176.505 176.870 0.010 0.000 1.024 37 L CA -0.204 54.641 54.840 0.007 0.000 0.826 37 L CB 0.871 42.935 42.059 0.010 0.000 1.211 37 L HN -0.096 nan 8.230 nan 0.000 0.422 38 I N 6.425 126.996 120.570 0.001 0.000 2.291 38 I HA 0.384 4.551 4.170 -0.004 0.000 0.290 38 I C -0.185 175.929 176.117 -0.005 0.000 1.050 38 I CA -0.240 61.057 61.300 -0.005 0.000 1.245 38 I CB 0.595 38.581 38.000 -0.024 0.000 1.405 38 I HN 0.711 nan 8.210 nan 0.000 0.478 39 Q N 4.747 124.553 119.800 0.010 0.000 2.534 39 Q HA 0.616 4.953 4.340 -0.004 0.000 0.290 39 Q C -1.858 174.166 176.000 0.040 0.000 0.991 39 Q CA -1.005 54.809 55.803 0.018 0.000 0.783 39 Q CB 2.506 31.261 28.738 0.028 0.000 1.470 39 Q HN 0.256 nan 8.270 nan 0.000 0.406 40 V N 1.564 121.509 119.914 0.052 0.000 2.432 40 V HA 0.391 4.508 4.120 -0.004 0.000 0.275 40 V C -0.467 175.718 176.094 0.151 0.000 1.043 40 V CA -0.500 61.860 62.300 0.100 0.000 0.925 40 V CB 1.365 33.234 31.823 0.077 0.000 0.985 40 V HN 0.586 nan 8.190 nan 0.000 0.466 41 V N 5.370 125.389 119.914 0.175 0.000 2.409 41 V HA 0.371 4.488 4.120 -0.004 0.000 0.291 41 V C 0.136 176.325 176.094 0.159 0.000 1.020 41 V CA -0.980 61.415 62.300 0.157 0.000 0.848 41 V CB 1.654 33.547 31.823 0.116 0.000 0.990 41 V HN 0.850 nan 8.190 nan 0.000 0.430 42 K N 3.198 123.661 120.400 0.106 0.000 2.339 42 K HA 0.359 4.676 4.320 -0.004 0.000 0.286 42 K C 0.626 177.145 176.600 -0.135 0.000 1.050 42 K CA -0.149 56.013 56.287 -0.208 0.000 0.956 42 K CB 1.319 33.658 32.500 -0.268 0.000 0.990 42 K HN 0.617 nan 8.250 nan 0.000 0.475 43 V N 2.214 122.013 119.914 -0.191 0.000 3.572 43 V HA 0.351 4.469 4.120 -0.004 0.000 0.260 43 V C 0.366 176.427 176.094 -0.056 0.000 1.324 43 V CA -0.127 62.146 62.300 -0.044 0.000 1.068 43 V CB 0.022 31.890 31.823 0.075 0.000 0.837 43 V HN 0.573 nan 8.190 nan 0.000 0.450 44 I N 1.438 121.913 120.570 -0.159 0.000 2.571 44 I HA 0.432 4.600 4.170 -0.004 0.000 0.289 44 I C -0.752 175.299 176.117 -0.111 0.000 1.115 44 I CA -0.419 60.837 61.300 -0.073 0.000 1.045 44 I CB 2.039 40.039 38.000 0.000 0.000 1.238 44 I HN -0.047 nan 8.210 nan 0.000 0.424 45 N N 5.431 124.087 118.700 -0.072 0.000 3.259 45 N HA 0.225 4.962 4.740 -0.004 0.000 0.308 45 N C -0.823 174.635 175.510 -0.087 0.000 1.334 45 N CA 0.265 53.268 53.050 -0.079 0.000 1.202 45 N CB -0.124 38.331 38.487 -0.053 0.000 1.485 45 N HN 0.603 nan 8.380 nan 0.000 0.549 46 N N -0.125 118.515 118.700 -0.101 0.000 3.261 46 N HA 0.165 4.902 4.740 -0.004 0.000 0.248 46 N C -0.875 174.508 175.510 -0.213 0.000 1.498 46 N CA -0.399 52.521 53.050 -0.217 0.000 0.884 46 N CB 0.229 38.467 38.487 -0.416 0.000 1.428 46 N HN 0.010 nan 8.380 nan 0.000 0.517 47 F N -1.740 117.850 119.950 -0.600 0.000 3.034 47 F HA -0.129 4.396 4.527 -0.003 0.000 0.286 47 F C 0.758 176.273 175.800 -0.475 0.000 0.804 47 F CA 1.166 58.401 58.000 -1.275 0.000 1.161 47 F CB -1.663 36.968 39.000 -0.616 0.000 1.317 47 F HN 0.450 nan 8.300 nan 0.000 0.453 48 G N -2.007 106.786 108.800 -0.011 0.000 2.511 48 G HA2 0.420 4.377 3.960 -0.004 0.000 0.318 48 G HA3 0.420 4.377 3.960 -0.004 0.000 0.318 48 G C 0.029 175.095 174.900 0.276 0.000 1.210 48 G CA -0.488 44.715 45.100 0.172 0.000 0.969 48 G HN 0.070 nan 8.290 nan 0.000 0.484 49 Y N 0.038 120.417 120.300 0.132 0.000 2.128 49 Y HA -0.173 4.375 4.550 -0.005 0.000 0.284 49 Y C 2.156 178.102 175.900 0.076 0.000 1.154 49 Y CA 2.607 60.773 58.100 0.110 0.000 1.149 49 Y CB 0.398 38.874 38.460 0.027 0.000 0.976 49 Y HN 0.462 nan 8.280 nan 0.000 0.505 50 D N -0.386 120.149 120.400 0.224 0.000 2.262 50 D HA 0.121 4.758 4.640 -0.004 0.000 0.212 50 D C 0.583 176.915 176.300 0.053 0.000 0.964 50 D CA 0.912 54.979 54.000 0.112 0.000 0.875 50 D CB -0.278 40.601 40.800 0.133 0.000 0.996 50 D HN 0.226 nan 8.370 nan 0.000 0.497 51 A N 0.313 123.177 122.820 0.074 0.000 2.915 51 A HA 0.505 4.823 4.320 -0.004 0.000 0.292 51 A C 1.270 178.899 177.584 0.074 0.000 1.632 51 A CA 0.517 52.577 52.037 0.038 0.000 1.337 51 A CB -0.563 18.448 19.000 0.019 0.000 1.111 51 A HN 0.258 nan 8.150 nan 0.000 0.569 52 G N 0.557 109.375 108.800 0.031 0.000 2.195 52 G HA2 0.153 4.110 3.960 -0.004 0.000 0.224 52 G HA3 0.153 4.110 3.960 -0.004 0.000 0.224 52 G C 1.418 176.253 174.900 -0.109 0.000 0.990 52 G CA 0.575 45.680 45.100 0.008 0.000 0.639 52 G HN 2.471 nan 8.290 nan 0.000 0.514 53 G N -1.187 107.578 108.800 -0.058 0.000 2.182 53 G HA2 -0.229 3.728 3.960 -0.004 0.000 0.248 53 G HA3 -0.229 3.728 3.960 -0.004 0.000 0.248 53 G C 0.244 175.029 174.900 -0.192 0.000 1.042 53 G CA 0.471 45.447 45.100 -0.207 0.000 0.775 53 G HN 1.144 nan 8.290 nan 0.000 0.501 54 W N 0.298 121.521 121.300 -0.129 0.000 2.238 54 W HA 0.697 5.355 4.660 -0.004 0.000 0.321 54 W C 0.853 177.455 176.519 0.138 0.000 1.293 54 W CA -0.376 57.003 57.345 0.057 0.000 1.204 54 W CB 0.638 30.124 29.460 0.044 0.000 1.167 54 W HN 0.021 nan 8.180 nan 0.000 0.553 55 R N 2.621 123.420 120.500 0.499 0.000 2.561 55 R HA 0.261 4.599 4.340 -0.004 0.000 0.297 55 R C 0.511 176.890 176.300 0.131 0.000 0.969 55 R CA -0.748 55.442 56.100 0.151 0.000 0.879 55 R CB 1.445 31.674 30.300 -0.120 0.000 1.178 55 R HN 0.399 nan 8.270 nan 0.000 0.445 56 V N 2.292 122.299 119.914 0.155 0.000 2.392 56 V HA -0.240 3.878 4.120 -0.004 0.000 0.249 56 V C 2.179 178.307 176.094 0.057 0.000 1.059 56 V CA 2.213 64.584 62.300 0.117 0.000 1.051 56 V CB -0.295 31.589 31.823 0.102 0.000 0.658 56 V HN 0.719 nan 8.190 nan 0.000 0.455 57 E N 0.409 120.615 120.200 0.010 0.000 2.481 57 E HA -0.151 4.196 4.350 -0.004 0.000 0.195 57 E C 1.505 178.066 176.600 -0.065 0.000 1.047 57 E CA 0.884 57.276 56.400 -0.013 0.000 0.867 57 E CB -0.009 29.684 29.700 -0.012 0.000 0.858 57 E HN 0.600 nan 8.360 nan 0.000 0.513 58 K N -0.579 119.684 120.400 -0.227 0.000 2.464 58 K HA 0.211 4.528 4.320 -0.004 0.000 0.206 58 K C -0.118 176.304 176.600 -0.297 0.000 1.186 58 K CA 0.057 56.117 56.287 -0.378 0.000 0.990 58 K CB 0.788 32.715 32.500 -0.955 0.000 1.003 58 K HN 0.159 nan 8.250 nan 0.000 0.562 59 H N -0.824 118.345 119.070 0.165 0.000 2.894 59 H HA 0.464 5.018 4.556 -0.005 0.000 0.368 59 H C -1.298 174.206 175.328 0.293 0.000 1.181 59 H CA -1.192 55.012 56.048 0.260 0.000 1.146 59 H CB 2.430 32.372 29.762 0.301 0.000 1.839 59 H HN -0.275 nan 8.280 nan 0.000 0.557 60 V N 1.685 121.910 119.914 0.518 0.000 2.604 60 V HA 0.491 4.609 4.120 -0.004 0.000 0.305 60 V C -0.436 175.885 176.094 0.378 0.000 1.043 60 V CA -0.743 61.764 62.300 0.345 0.000 0.888 60 V CB 1.726 33.630 31.823 0.136 0.000 0.995 60 V HN 0.668 nan 8.190 nan 0.000 0.429 61 R N 4.525 125.080 120.500 0.091 0.000 2.502 61 R HA 0.814 5.151 4.340 -0.004 0.000 0.300 61 R C -1.458 174.752 176.300 -0.150 0.000 0.984 61 R CA -0.463 55.470 56.100 -0.278 0.000 0.882 61 R CB 1.927 31.573 30.300 -1.090 0.000 1.180 61 R HN 0.579 nan 8.270 nan 0.000 0.444 62 L N 2.556 123.739 121.223 -0.065 0.000 2.303 62 L HA 0.621 4.958 4.340 -0.004 0.000 0.256 62 L C -1.087 175.760 176.870 -0.038 0.000 1.034 62 L CA -1.330 53.478 54.840 -0.054 0.000 0.832 62 L CB 1.719 43.809 42.059 0.052 0.000 1.403 62 L HN 0.231 nan 8.230 nan 0.000 0.419 63 L N 1.044 122.182 121.223 -0.141 0.000 2.342 63 L HA 0.925 5.262 4.340 -0.004 0.000 0.271 63 L C -0.300 176.525 176.870 -0.075 0.000 1.008 63 L CA -0.428 54.359 54.840 -0.089 0.000 0.818 63 L CB 1.479 43.472 42.059 -0.110 0.000 1.296 63 L HN 0.828 nan 8.230 nan 0.000 0.427 64 A N 1.244 124.045 122.820 -0.032 0.000 2.590 64 A HA 0.419 4.736 4.320 -0.004 0.000 0.296 64 A C -1.465 176.124 177.584 0.010 0.000 1.050 64 A CA -0.619 51.413 52.037 -0.009 0.000 0.697 64 A CB 1.234 20.247 19.000 0.022 0.000 1.277 64 A HN 0.607 nan 8.150 nan 0.000 0.411 65 D N 1.982 122.386 120.400 0.008 0.000 2.374 65 D HA 0.328 4.966 4.640 -0.004 0.000 0.240 65 D C 1.382 177.703 176.300 0.036 0.000 1.229 65 D CA 0.846 54.854 54.000 0.013 0.000 0.895 65 D CB 0.801 41.600 40.800 -0.000 0.000 1.046 65 D HN 0.605 nan 8.370 nan 0.000 0.498 66 T N -0.664 113.927 114.554 0.061 0.000 3.086 66 T HA -0.013 4.335 4.350 -0.004 0.000 0.250 66 T C 1.369 176.097 174.700 0.046 0.000 1.074 66 T CA 0.714 62.873 62.100 0.098 0.000 0.988 66 T CB -0.015 68.975 68.868 0.203 0.000 0.988 66 T HN 0.349 nan 8.240 nan 0.000 0.530 67 T N -3.206 111.362 114.554 0.024 0.000 2.955 67 T HA 0.495 4.843 4.350 -0.004 0.000 0.251 67 T C 1.874 176.568 174.700 -0.010 0.000 1.002 67 T CA 0.744 62.845 62.100 0.003 0.000 0.970 67 T CB -0.082 68.793 68.868 0.012 0.000 1.091 67 T HN 0.904 nan 8.240 nan 0.000 0.495 68 G N 2.734 111.531 108.800 -0.005 0.000 2.157 68 G HA2 -0.230 3.728 3.960 -0.004 0.000 0.239 68 G HA3 -0.230 3.728 3.960 -0.004 0.000 0.239 68 G C 0.376 175.275 174.900 -0.002 0.000 0.982 68 G CA 0.430 45.525 45.100 -0.008 0.000 0.650 68 G HN 0.746 nan 8.290 nan 0.000 0.527 69 D N 0.296 120.697 120.400 0.003 0.000 2.325 69 D HA 0.141 4.778 4.640 -0.004 0.000 0.225 69 D C 0.935 177.246 176.300 0.019 0.000 1.096 69 D CA 0.162 54.169 54.000 0.011 0.000 0.844 69 D CB -1.028 39.780 40.800 0.013 0.000 0.925 69 D HN 0.606 nan 8.370 nan 0.000 0.513 70 N N -0.808 117.899 118.700 0.011 0.000 2.800 70 N HA -0.215 4.522 4.740 -0.004 0.000 0.250 70 N C -0.828 174.687 175.510 0.009 0.000 1.078 70 N CA 0.765 53.823 53.050 0.013 0.000 0.804 70 N CB -1.255 37.247 38.487 0.025 0.000 1.135 70 N HN 0.448 nan 8.380 nan 0.000 0.565 71 Q N 0.255 120.051 119.800 -0.007 0.000 2.256 71 Q HA 0.527 4.865 4.340 -0.004 0.000 0.257 71 Q C -0.558 175.379 176.000 -0.106 0.000 0.936 71 Q CA -0.483 55.267 55.803 -0.089 0.000 0.903 71 Q CB 1.632 30.341 28.738 -0.048 0.000 1.263 71 Q HN 0.081 nan 8.270 nan 0.000 0.440 72 S N 2.126 117.728 115.700 -0.164 0.000 2.545 72 S HA 0.200 4.668 4.470 -0.004 0.000 0.275 72 S C -0.472 174.159 174.600 0.053 0.000 1.299 72 S CA -0.591 57.573 58.200 -0.060 0.000 1.048 72 S CB 0.485 63.644 63.200 -0.067 0.000 0.938 72 S HN 0.402 nan 8.310 nan 0.000 0.496 73 D N 1.323 121.773 120.400 0.084 0.000 2.268 73 D HA 0.390 5.027 4.640 -0.004 0.000 0.249 73 D C -0.349 175.981 176.300 0.050 0.000 1.008 73 D CA -0.432 53.666 54.000 0.164 0.000 0.939 73 D CB 1.377 42.241 40.800 0.107 0.000 1.170 73 D HN 0.175 nan 8.370 nan 0.000 0.468 74 V N 1.209 121.103 119.914 -0.033 0.000 2.465 74 V HA 0.326 4.444 4.120 -0.004 0.000 0.279 74 V C 0.131 176.066 176.094 -0.264 0.000 1.045 74 V CA -0.485 61.660 62.300 -0.259 0.000 0.938 74 V CB 1.584 33.051 31.823 -0.593 0.000 0.986 74 V HN 0.257 nan 8.190 nan 0.000 0.467 75 V N 3.597 123.359 119.914 -0.253 0.000 2.525 75 V HA 0.797 4.915 4.120 -0.004 0.000 0.299 75 V C 0.335 176.335 176.094 -0.156 0.000 1.034 75 V CA -0.364 61.828 62.300 -0.179 0.000 0.863 75 V CB 1.863 33.606 31.823 -0.132 0.000 0.999 75 V HN 0.975 nan 8.190 nan 0.000 0.423 76 G N 2.995 111.827 108.800 0.053 0.000 2.609 76 G HA2 0.677 4.634 3.960 -0.004 0.000 0.308 76 G HA3 0.677 4.634 3.960 -0.004 0.000 0.308 76 G C -1.145 174.020 174.900 0.441 0.000 1.369 76 G CA -0.480 44.830 45.100 0.351 0.000 0.958 76 G HN 0.460 nan 8.290 nan 0.000 0.499 77 F N 2.729 122.968 119.950 0.482 0.000 2.368 77 F HA 0.456 4.980 4.527 -0.005 0.000 0.362 77 F C 1.271 177.316 175.800 0.409 0.000 1.137 77 F CA -0.180 58.039 58.000 0.365 0.000 1.161 77 F CB 1.363 40.484 39.000 0.203 0.000 1.265 77 F HN 0.564 nan 8.300 nan 0.000 0.530 78 G N 1.730 110.731 108.800 0.335 0.000 2.641 78 G HA2 0.148 4.105 3.960 -0.004 0.000 0.239 78 G HA3 0.148 4.105 3.960 -0.004 0.000 0.239 78 G C 0.586 175.422 174.900 -0.106 0.000 1.402 78 G CA -0.245 44.600 45.100 -0.425 0.000 1.046 78 G HN 0.482 nan 8.290 nan 0.000 0.565 79 E N -0.589 119.438 120.200 -0.287 0.000 2.107 79 E HA -0.028 4.320 4.350 -0.004 0.000 0.191 79 E C 1.547 178.235 176.600 0.148 0.000 0.982 79 E CA 1.285 57.707 56.400 0.037 0.000 0.809 79 E CB 0.121 29.777 29.700 -0.073 0.000 0.756 79 E HN 0.428 nan 8.360 nan 0.000 0.459 80 N N -0.998 117.785 118.700 0.139 0.000 2.160 80 N HA 0.239 4.976 4.740 -0.004 0.000 0.226 80 N C -0.111 175.467 175.510 0.112 0.000 1.256 80 N CA 0.637 53.770 53.050 0.138 0.000 0.890 80 N CB 1.945 40.502 38.487 0.117 0.000 1.116 80 N HN 0.160 nan 8.380 nan 0.000 0.517 81 G N -0.190 108.697 108.800 0.145 0.000 2.336 81 G HA2 0.200 4.157 3.960 -0.004 0.000 0.286 81 G HA3 0.200 4.157 3.960 -0.004 0.000 0.286 81 G C -1.881 173.032 174.900 0.022 0.000 1.269 81 G CA -0.491 44.619 45.100 0.017 0.000 0.873 81 G HN -0.117 nan 8.290 nan 0.000 0.494 82 V N 0.287 120.075 119.914 -0.210 0.000 2.394 82 V HA 0.624 4.741 4.120 -0.004 0.000 0.282 82 V C -1.007 174.865 176.094 -0.370 0.000 1.031 82 V CA -0.252 61.866 62.300 -0.303 0.000 0.881 82 V CB 1.021 32.507 31.823 -0.562 0.000 0.982 82 V HN 0.560 nan 8.190 nan 0.000 0.451 83 W N 5.003 126.280 121.300 -0.038 0.000 2.573 83 W HA 0.781 5.438 4.660 -0.005 0.000 0.326 83 W C -0.389 176.203 176.519 0.123 0.000 1.049 83 W CA -0.504 56.895 57.345 0.090 0.000 1.220 83 W CB 1.345 30.941 29.460 0.227 0.000 1.373 83 W HN 0.324 nan 8.180 nan 0.000 0.507 84 I N 2.511 123.253 120.570 0.286 0.000 2.498 84 I HA 0.278 4.446 4.170 -0.004 0.000 0.290 84 I C -0.241 176.050 176.117 0.291 0.000 1.032 84 I CA -0.876 60.547 61.300 0.204 0.000 1.073 84 I CB 1.944 39.978 38.000 0.057 0.000 1.251 84 I HN 0.158 nan 8.210 nan 0.000 0.426 85 S N 3.702 119.566 115.700 0.274 0.000 2.420 85 S HA 0.317 4.784 4.470 -0.004 0.000 0.313 85 S C 0.157 174.927 174.600 0.283 0.000 1.079 85 S CA -0.661 57.709 58.200 0.283 0.000 1.104 85 S CB 0.845 64.230 63.200 0.308 0.000 0.969 85 S HN 0.721 nan 8.310 nan 0.000 0.471 86 T N 1.546 116.235 114.554 0.225 0.000 2.910 86 T HA 0.272 4.619 4.350 -0.004 0.000 0.293 86 T C 0.203 174.960 174.700 0.096 0.000 1.015 86 T CA -0.879 61.320 62.100 0.165 0.000 1.094 86 T CB 0.408 69.331 68.868 0.092 0.000 0.968 86 T HN 0.407 nan 8.240 nan 0.000 0.521 87 N N 2.042 120.688 118.700 -0.091 0.000 2.452 87 N HA 0.028 4.765 4.740 -0.004 0.000 0.266 87 N C 0.463 175.793 175.510 -0.300 0.000 1.209 87 N CA -0.190 52.515 53.050 -0.576 0.000 0.929 87 N CB 0.280 38.494 38.487 -0.454 0.000 1.063 87 N HN 0.520 nan 8.380 nan 0.000 0.472 88 N N 2.466 120.974 118.700 -0.320 0.000 2.461 88 N HA 0.045 4.783 4.740 -0.004 0.000 0.188 88 N C 1.085 176.552 175.510 -0.071 0.000 1.134 88 N CA 0.787 53.760 53.050 -0.129 0.000 0.878 88 N CB 0.112 38.547 38.487 -0.088 0.000 0.972 88 N HN 0.807 nan 8.380 nan 0.000 0.456 89 G N 1.520 110.306 108.800 -0.023 0.000 2.195 89 G HA2 -0.285 3.672 3.960 -0.004 0.000 0.246 89 G HA3 -0.285 3.672 3.960 -0.004 0.000 0.246 89 G C 0.218 175.054 174.900 -0.106 0.000 0.984 89 G CA 0.372 45.511 45.100 0.065 0.000 0.633 89 G HN 0.542 nan 8.290 nan 0.000 0.525 90 N N -0.080 118.577 118.700 -0.072 0.000 2.517 90 N HA 0.229 4.967 4.740 -0.004 0.000 0.285 90 N C 0.497 175.991 175.510 -0.027 0.000 1.528 90 N CA -0.209 52.783 53.050 -0.097 0.000 0.892 90 N CB -0.394 38.054 38.487 -0.066 0.000 1.356 90 N HN 0.180 nan 8.380 nan 0.000 0.495 91 N N -0.393 118.347 118.700 0.066 0.000 2.741 91 N HA -0.158 4.579 4.740 -0.004 0.000 0.250 91 N C -0.868 174.720 175.510 0.129 0.000 1.115 91 N CA 1.721 54.863 53.050 0.154 0.000 0.724 91 N CB -1.882 36.679 38.487 0.123 0.000 1.090 91 N HN 0.843 nan 8.380 nan 0.000 0.558 92 T N -3.328 111.236 114.554 0.016 0.000 2.906 92 T HA 0.811 5.158 4.350 -0.004 0.000 0.295 92 T C -0.490 174.125 174.700 -0.142 0.000 1.061 92 T CA -0.722 61.417 62.100 0.064 0.000 1.000 92 T CB 1.999 70.892 68.868 0.042 0.000 1.103 92 T HN 0.028 nan 8.240 nan 0.000 0.486 93 F N 0.158 120.125 119.950 0.028 0.000 2.603 93 F HA 0.595 5.120 4.527 -0.005 0.000 0.317 93 F C 0.035 175.859 175.800 0.040 0.000 1.066 93 F CA -1.395 56.622 58.000 0.028 0.000 0.941 93 F CB 2.108 41.111 39.000 0.006 0.000 1.291 93 F HN 0.426 nan 8.300 nan 0.000 0.472 94 V N 1.589 121.636 119.914 0.222 0.000 2.673 94 V HA 0.122 4.239 4.120 -0.004 0.000 0.303 94 V C -0.609 175.596 176.094 0.184 0.000 1.046 94 V CA 0.662 63.061 62.300 0.164 0.000 1.126 94 V CB 0.674 32.584 31.823 0.145 0.000 0.934 94 V HN 0.649 nan 8.190 nan 0.000 0.487 95 D N 4.766 125.245 120.400 0.131 0.000 2.738 95 D HA 0.432 5.069 4.640 -0.004 0.000 0.218 95 D C -2.386 173.958 176.300 0.073 0.000 1.345 95 D CA -0.984 53.079 54.000 0.105 0.000 0.943 95 D CB 1.857 42.707 40.800 0.083 0.000 1.514 95 D HN 0.391 nan 8.370 nan 0.000 0.585 96 P HA 0.391 nan 4.420 nan 0.000 0.272 96 P C -2.560 174.834 177.300 0.157 0.000 1.230 96 P CA -1.048 62.097 63.100 0.074 0.000 0.788 96 P CB -0.177 31.561 31.700 0.062 0.000 0.949 97 P HA 0.148 nan 4.420 nan 0.000 0.273 97 P C -0.537 177.037 177.300 0.458 0.000 1.250 97 P CA -0.144 63.174 63.100 0.363 0.000 0.793 97 P CB 0.506 32.475 31.700 0.448 0.000 1.011 98 K N 1.185 121.793 120.400 0.346 0.000 2.182 98 K HA 0.411 4.729 4.320 -0.004 0.000 0.262 98 K C -0.354 176.169 176.600 -0.128 0.000 0.957 98 K CA -0.657 55.715 56.287 0.142 0.000 0.842 98 K CB 0.623 33.172 32.500 0.082 0.000 1.099 98 K HN 0.287 nan 8.250 nan 0.000 0.438 99 M N 7.161 126.377 119.600 -0.640 0.000 2.108 99 M HA 0.093 4.571 4.480 -0.004 0.000 0.347 99 M C 0.172 176.139 176.300 -0.556 0.000 1.326 99 M CA -0.169 54.434 55.300 -1.163 0.000 1.126 99 M CB 0.733 32.277 32.600 -1.760 0.000 1.606 99 M HN 0.681 nan 8.290 nan 0.000 0.462 100 V N 4.644 124.288 119.914 -0.450 0.000 3.471 100 V HA 0.319 4.436 4.120 -0.004 0.000 0.258 100 V C 0.054 176.021 176.094 -0.213 0.000 1.192 100 V CA 0.206 62.346 62.300 -0.266 0.000 1.116 100 V CB 0.315 31.955 31.823 -0.304 0.000 0.792 100 V HN 0.693 nan 8.190 nan 0.000 0.459 101 L N 0.802 121.860 121.223 -0.275 0.000 2.641 101 L HA 0.791 5.128 4.340 -0.004 0.000 0.261 101 L C -0.145 176.644 176.870 -0.135 0.000 0.926 101 L CA 0.021 54.776 54.840 -0.142 0.000 0.917 101 L CB 1.659 43.680 42.059 -0.063 0.000 1.361 101 L HN 0.065 nan 8.230 nan 0.000 0.417 102 A N 3.941 126.710 122.820 -0.086 0.000 3.091 102 A HA 0.652 4.969 4.320 -0.004 0.000 0.264 102 A C -0.032 177.535 177.584 -0.028 0.000 1.673 102 A CA 0.004 52.005 52.037 -0.060 0.000 1.362 102 A CB -0.958 18.012 19.000 -0.050 0.000 1.137 102 A HN 0.656 nan 8.150 nan 0.000 0.617 103 N N -0.825 117.870 118.700 -0.008 0.000 3.308 103 N HA 0.356 5.093 4.740 -0.004 0.000 0.276 103 N C -0.384 175.128 175.510 0.003 0.000 1.533 103 N CA -0.826 52.187 53.050 -0.062 0.000 0.878 103 N CB 0.350 38.719 38.487 -0.197 0.000 1.566 103 N HN 0.262 nan 8.380 nan 0.000 0.546 104 F N -1.570 118.155 119.950 -0.375 0.000 3.100 104 F HA -0.180 4.345 4.527 -0.003 0.000 0.283 104 F C 0.258 175.848 175.800 -0.350 0.000 0.900 104 F CA 0.960 58.349 58.000 -1.019 0.000 1.010 104 F CB -1.764 36.921 39.000 -0.524 0.000 1.029 104 F HN 0.506 nan 8.300 nan 0.000 0.637 105 A N -1.571 121.325 122.820 0.126 0.000 2.479 105 A HA 0.652 4.970 4.320 -0.004 0.000 0.296 105 A C 0.357 178.171 177.584 0.384 0.000 1.121 105 A CA -0.540 51.685 52.037 0.312 0.000 0.743 105 A CB 0.484 19.631 19.000 0.246 0.000 1.323 105 A HN 0.127 nan 8.150 nan 0.000 0.415 106 Y N 0.757 121.213 120.300 0.260 0.000 2.114 106 Y HA -0.102 4.445 4.550 -0.005 0.000 0.282 106 Y C 2.041 178.024 175.900 0.138 0.000 1.165 106 Y CA 3.227 61.442 58.100 0.192 0.000 1.148 106 Y CB 0.081 38.618 38.460 0.128 0.000 0.972 106 Y HN 0.625 nan 8.280 nan 0.000 0.504 107 A N -1.338 121.653 122.820 0.284 0.000 2.465 107 A HA 0.683 5.001 4.320 -0.004 0.000 0.255 107 A C 0.398 178.046 177.584 0.106 0.000 1.274 107 A CA 0.293 52.429 52.037 0.164 0.000 0.920 107 A CB -0.442 18.670 19.000 0.188 0.000 1.033 107 A HN 0.320 nan 8.150 nan 0.000 0.516 108 A N -0.936 121.960 122.820 0.126 0.000 2.702 108 A HA 0.565 4.882 4.320 -0.004 0.000 0.305 108 A C 0.873 178.535 177.584 0.130 0.000 1.213 108 A CA 0.259 52.347 52.037 0.085 0.000 0.745 108 A CB -0.319 18.718 19.000 0.062 0.000 1.161 108 A HN 1.677 nan 8.150 nan 0.000 0.445 109 G N 0.634 109.489 108.800 0.090 0.000 2.201 109 G HA2 0.205 4.162 3.960 -0.004 0.000 0.212 109 G HA3 0.205 4.162 3.960 -0.004 0.000 0.212 109 G C 1.499 176.378 174.900 -0.035 0.000 0.994 109 G CA 0.753 45.919 45.100 0.110 0.000 0.644 109 G HN 2.567 nan 8.290 nan 0.000 0.508 110 G N -0.902 107.894 108.800 -0.007 0.000 2.246 110 G HA2 -0.240 3.718 3.960 -0.004 0.000 0.273 110 G HA3 -0.240 3.718 3.960 -0.004 0.000 0.273 110 G C 0.287 175.067 174.900 -0.199 0.000 1.055 110 G CA 0.518 45.517 45.100 -0.169 0.000 0.851 110 G HN 1.124 nan 8.290 nan 0.000 0.500 111 W N -0.067 121.179 121.300 -0.091 0.000 2.238 111 W HA 0.702 5.360 4.660 -0.004 0.000 0.321 111 W C 0.852 177.427 176.519 0.092 0.000 1.293 111 W CA -0.352 57.042 57.345 0.082 0.000 1.204 111 W CB 0.651 30.171 29.460 0.099 0.000 1.167 111 W HN 0.035 nan 8.180 nan 0.000 0.553 112 R N 2.483 123.222 120.500 0.399 0.000 2.532 112 R HA 0.246 4.584 4.340 -0.004 0.000 0.297 112 R C 0.402 176.753 176.300 0.086 0.000 0.984 112 R CA -0.766 55.382 56.100 0.081 0.000 0.884 112 R CB 1.414 31.595 30.300 -0.198 0.000 1.182 112 R HN 0.406 nan 8.270 nan 0.000 0.442 113 V N 2.264 122.252 119.914 0.123 0.000 2.490 113 V HA -0.210 3.907 4.120 -0.004 0.000 0.250 113 V C 2.058 178.171 176.094 0.031 0.000 1.061 113 V CA 2.126 64.484 62.300 0.097 0.000 1.064 113 V CB -0.259 31.619 31.823 0.093 0.000 0.670 113 V HN 0.693 nan 8.190 nan 0.000 0.461 114 E N 0.020 120.210 120.200 -0.018 0.000 2.489 114 E HA -0.099 4.249 4.350 -0.004 0.000 0.193 114 E C 1.425 177.972 176.600 -0.087 0.000 1.057 114 E CA 0.616 56.996 56.400 -0.034 0.000 0.866 114 E CB 0.117 29.802 29.700 -0.026 0.000 0.916 114 E HN 0.566 nan 8.360 nan 0.000 0.500 115 K N -0.557 119.693 120.400 -0.250 0.000 2.511 115 K HA 0.205 4.522 4.320 -0.004 0.000 0.209 115 K C -0.093 176.342 176.600 -0.274 0.000 1.301 115 K CA 0.096 56.142 56.287 -0.402 0.000 0.967 115 K CB 0.831 32.659 32.500 -1.121 0.000 1.109 115 K HN 0.147 nan 8.250 nan 0.000 0.561 116 H N -0.651 118.483 119.070 0.107 0.000 2.894 116 H HA 0.496 5.050 4.556 -0.005 0.000 0.368 116 H C -1.002 174.433 175.328 0.179 0.000 1.181 116 H CA -0.973 55.184 56.048 0.182 0.000 1.146 116 H CB 2.397 32.278 29.762 0.199 0.000 1.839 116 H HN -0.157 nan 8.280 nan 0.000 0.557 117 I N 1.368 122.138 120.570 0.334 0.000 2.509 117 I HA 0.434 4.601 4.170 -0.004 0.000 0.293 117 I C -0.603 175.460 176.117 -0.090 0.000 1.020 117 I CA -0.579 60.712 61.300 -0.014 0.000 1.088 117 I CB 1.911 39.747 38.000 -0.272 0.000 1.267 117 I HN 0.348 nan 8.210 nan 0.000 0.430 118 R N 5.169 125.435 120.500 -0.390 0.000 2.476 118 R HA 0.655 4.992 4.340 -0.004 0.000 0.305 118 R C -1.564 174.435 176.300 -0.501 0.000 0.965 118 R CA -0.504 55.239 56.100 -0.596 0.000 0.867 118 R CB 1.776 31.422 30.300 -1.091 0.000 1.176 118 R HN 0.307 nan 8.270 nan 0.000 0.447 119 F N 1.729 121.613 119.950 -0.111 0.000 2.618 119 F HA 0.581 5.107 4.527 -0.003 0.000 0.332 119 F C 0.073 175.904 175.800 0.052 0.000 1.061 119 F CA -1.306 56.694 58.000 0.000 0.000 0.974 119 F CB 1.280 40.325 39.000 0.075 0.000 1.310 119 F HN 0.071 nan 8.300 nan 0.000 0.491 120 M N 1.727 121.512 119.600 0.307 0.000 2.383 120 M HA 0.761 5.238 4.480 -0.004 0.000 0.325 120 M C -0.848 175.534 176.300 0.137 0.000 1.092 120 M CA -0.771 54.646 55.300 0.195 0.000 0.961 120 M CB 1.298 33.988 32.600 0.150 0.000 1.672 120 M HN 0.709 nan 8.290 nan 0.000 0.438 121 A N 1.887 124.778 122.820 0.118 0.000 2.555 121 A HA 0.446 4.763 4.320 -0.004 0.000 0.297 121 A C -1.316 176.309 177.584 0.069 0.000 1.060 121 A CA -0.779 51.309 52.037 0.085 0.000 0.710 121 A CB 1.097 20.164 19.000 0.113 0.000 1.282 121 A HN 0.711 nan 8.150 nan 0.000 0.399 122 D N 2.659 123.084 120.400 0.042 0.000 2.416 122 D HA 0.289 4.927 4.640 -0.004 0.000 0.240 122 D C 0.537 176.849 176.300 0.020 0.000 1.250 122 D CA 0.050 54.063 54.000 0.022 0.000 0.967 122 D CB 0.029 40.835 40.800 0.009 0.000 1.059 122 D HN 0.422 nan 8.370 nan 0.000 0.512 123 L N 2.640 123.873 121.223 0.016 0.000 2.567 123 L HA 0.201 4.538 4.340 -0.004 0.000 0.225 123 L C 1.662 178.505 176.870 -0.045 0.000 1.119 123 L CA 0.192 55.032 54.840 -0.001 0.000 0.871 123 L CB 0.176 42.234 42.059 -0.002 0.000 1.036 123 L HN 0.196 nan 8.230 nan 0.000 0.459 124 R N -0.444 120.033 120.500 -0.039 0.000 2.600 124 R HA 0.170 4.507 4.340 -0.004 0.000 0.392 124 R C -0.162 176.116 176.300 -0.037 0.000 1.032 124 R CA -0.251 55.819 56.100 -0.051 0.000 1.139 124 R CB 0.522 30.788 30.300 -0.056 0.000 1.400 124 R HN -0.032 nan 8.270 nan 0.000 0.566 125 K N 0.635 121.020 120.400 -0.026 0.000 3.156 125 K HA -0.185 4.132 4.320 -0.004 0.000 0.266 125 K C 0.586 177.172 176.600 -0.024 0.000 0.966 125 K CA 1.143 57.417 56.287 -0.020 0.000 0.719 125 K CB -1.333 31.156 32.500 -0.019 0.000 1.333 125 K HN 0.451 nan 8.250 nan 0.000 0.468 126 T N -4.148 110.388 114.554 -0.029 0.000 3.065 126 T HA 0.237 4.584 4.350 -0.004 0.000 0.252 126 T C 1.525 176.208 174.700 -0.029 0.000 1.099 126 T CA 0.708 62.788 62.100 -0.035 0.000 1.063 126 T CB 0.690 69.529 68.868 -0.049 0.000 0.948 126 T HN 0.685 nan 8.240 nan 0.000 0.506 127 G N 1.673 110.460 108.800 -0.022 0.000 2.199 127 G HA2 -0.236 3.722 3.960 -0.004 0.000 0.254 127 G HA3 -0.236 3.722 3.960 -0.004 0.000 0.254 127 G C 0.145 175.035 174.900 -0.016 0.000 0.982 127 G CA -0.078 45.013 45.100 -0.016 0.000 0.632 127 G HN 0.699 nan 8.290 nan 0.000 0.529 128 R N 0.259 120.744 120.500 -0.025 0.000 2.711 128 R HA 0.715 5.053 4.340 -0.004 0.000 0.284 128 R C 0.124 176.419 176.300 -0.008 0.000 0.968 128 R CA -0.168 55.917 56.100 -0.026 0.000 0.924 128 R CB 1.780 32.039 30.300 -0.069 0.000 1.162 128 R HN 0.487 nan 8.270 nan 0.000 0.465 129 A N 2.615 125.453 122.820 0.029 0.000 2.354 129 A HA 0.165 4.482 4.320 -0.004 0.000 0.281 129 A C -0.390 177.259 177.584 0.110 0.000 1.174 129 A CA -0.442 51.635 52.037 0.067 0.000 0.828 129 A CB 0.140 19.192 19.000 0.085 0.000 1.099 129 A HN 0.590 nan 8.150 nan 0.000 0.516 130 D N 1.419 121.874 120.400 0.091 0.000 2.329 130 D HA 0.338 4.976 4.640 -0.004 0.000 0.246 130 D C 0.125 176.517 176.300 0.154 0.000 1.111 130 D CA 0.260 54.336 54.000 0.128 0.000 0.941 130 D CB 1.028 41.870 40.800 0.070 0.000 1.169 130 D HN 0.450 nan 8.370 nan 0.000 0.441 131 I N 0.893 121.545 120.570 0.135 0.000 2.395 131 I HA 0.146 4.314 4.170 -0.004 0.000 0.289 131 I C -0.186 175.840 176.117 -0.151 0.000 1.023 131 I CA -0.442 60.798 61.300 -0.101 0.000 1.350 131 I CB 1.024 38.752 38.000 -0.454 0.000 1.409 131 I HN -0.140 nan 8.210 nan 0.000 0.507 132 V N 4.927 124.770 119.914 -0.120 0.000 2.577 132 V HA 0.762 4.879 4.120 -0.004 0.000 0.303 132 V C 0.192 176.239 176.094 -0.078 0.000 1.042 132 V CA -0.545 61.744 62.300 -0.017 0.000 0.872 132 V CB 1.698 33.596 31.823 0.125 0.000 0.998 132 V HN 0.905 nan 8.190 nan 0.000 0.423 133 G N 2.493 111.361 108.800 0.114 0.000 2.643 133 G HA2 0.672 4.630 3.960 -0.004 0.000 0.305 133 G HA3 0.672 4.630 3.960 -0.004 0.000 0.305 133 G C -1.267 173.857 174.900 0.373 0.000 1.387 133 G CA -0.511 44.749 45.100 0.267 0.000 0.982 133 G HN 0.442 nan 8.290 nan 0.000 0.501 134 F N 2.725 122.871 119.950 0.327 0.000 2.423 134 F HA 0.452 4.976 4.527 -0.005 0.000 0.356 134 F C 1.274 177.280 175.800 0.343 0.000 1.170 134 F CA 0.134 58.285 58.000 0.250 0.000 1.163 134 F CB 1.340 40.383 39.000 0.072 0.000 1.318 134 F HN 0.579 nan 8.300 nan 0.000 0.569 135 G N 2.080 111.076 108.800 0.327 0.000 2.945 135 G HA2 0.092 4.049 3.960 -0.004 0.000 0.156 135 G HA3 0.092 4.049 3.960 -0.004 0.000 0.156 135 G C 0.067 174.866 174.900 -0.168 0.000 1.375 135 G CA -0.160 44.673 45.100 -0.445 0.000 1.039 135 G HN 0.423 nan 8.290 nan 0.000 0.586 136 D N -0.892 119.305 120.400 -0.339 0.000 2.154 136 D HA 0.083 4.721 4.640 -0.004 0.000 0.211 136 D C 2.541 178.908 176.300 0.111 0.000 0.977 136 D CA 1.263 55.259 54.000 -0.006 0.000 0.869 136 D CB -0.199 40.538 40.800 -0.104 0.000 1.022 136 D HN 0.367 nan 8.370 nan 0.000 0.461 137 G N -1.109 107.777 108.800 0.144 0.000 2.471 137 G HA2 0.307 4.264 3.960 -0.004 0.000 0.219 137 G HA3 0.307 4.264 3.960 -0.004 0.000 0.219 137 G C 0.738 175.651 174.900 0.022 0.000 1.125 137 G CA 0.979 46.158 45.100 0.130 0.000 0.775 137 G HN 0.578 nan 8.290 nan 0.000 0.548 138 G N -0.924 107.874 108.800 -0.004 0.000 2.441 138 G HA2 0.228 4.186 3.960 -0.004 0.000 0.222 138 G HA3 0.228 4.186 3.960 -0.004 0.000 0.222 138 G C -1.284 173.539 174.900 -0.129 0.000 1.254 138 G CA -0.732 44.311 45.100 -0.097 0.000 0.959 138 G HN 0.224 nan 8.290 nan 0.000 0.474 139 I N 1.327 121.754 120.570 -0.238 0.000 2.342 139 I HA 0.448 4.615 4.170 -0.004 0.000 0.291 139 I C -0.831 175.108 176.117 -0.297 0.000 1.010 139 I CA -0.448 60.696 61.300 -0.261 0.000 1.308 139 I CB 0.881 38.664 38.000 -0.363 0.000 1.400 139 I HN 0.339 nan 8.210 nan 0.000 0.488 140 Y N 6.335 126.743 120.300 0.180 0.000 2.409 140 Y HA 0.633 5.180 4.550 -0.005 0.000 0.339 140 Y C 0.042 176.152 175.900 0.350 0.000 1.033 140 Y CA -0.637 57.625 58.100 0.270 0.000 1.094 140 Y CB 1.668 40.313 38.460 0.309 0.000 1.210 140 Y HN 0.335 nan 8.280 nan 0.000 0.456 141 I N 1.578 122.420 120.570 0.453 0.000 2.545 141 I HA 0.332 4.500 4.170 -0.004 0.000 0.292 141 I C -0.625 175.731 176.117 0.398 0.000 1.040 141 I CA -0.771 60.743 61.300 0.357 0.000 1.068 141 I CB 2.169 40.279 38.000 0.183 0.000 1.251 141 I HN 0.486 nan 8.210 nan 0.000 0.424 142 S N 6.148 122.067 115.700 0.364 0.000 2.438 142 S HA 0.456 4.923 4.470 -0.004 0.000 0.316 142 S C -0.168 174.576 174.600 0.239 0.000 1.084 142 S CA -0.758 57.645 58.200 0.337 0.000 1.107 142 S CB 0.501 63.970 63.200 0.449 0.000 0.981 142 S HN 0.497 nan 8.310 nan 0.000 0.466 143 R N 3.557 124.138 120.500 0.136 0.000 2.489 143 R HA 0.116 4.453 4.340 -0.004 0.000 0.287 143 R C -0.023 176.182 176.300 -0.159 0.000 1.053 143 R CA -0.257 55.849 56.100 0.010 0.000 1.036 143 R CB 0.205 30.496 30.300 -0.015 0.000 0.966 143 R HN 0.574 nan 8.270 nan 0.000 0.432 144 N N 2.766 121.269 118.700 -0.328 0.000 2.439 144 N HA 0.017 4.754 4.740 -0.004 0.000 0.243 144 N C -0.367 174.877 175.510 -0.443 0.000 1.088 144 N CA -0.056 52.529 53.050 -0.776 0.000 0.940 144 N CB 0.535 38.619 38.487 -0.672 0.000 1.180 144 N HN 0.423 nan 8.380 nan 0.000 0.505 145 N N 2.379 120.841 118.700 -0.397 0.000 2.322 145 N HA 0.161 4.899 4.740 -0.004 0.000 0.194 145 N C 0.488 175.891 175.510 -0.178 0.000 1.126 145 N CA 0.443 53.368 53.050 -0.209 0.000 0.845 145 N CB 0.125 38.531 38.487 -0.135 0.000 0.976 145 N HN 0.782 nan 8.380 nan 0.000 0.475 146 G N -0.463 108.197 108.800 -0.233 0.000 2.746 146 G HA2 0.078 4.035 3.960 -0.004 0.000 0.685 146 G HA3 0.078 4.035 3.960 -0.004 0.000 0.685 146 G C 0.507 175.348 174.900 -0.099 0.000 1.350 146 G CA -0.124 44.890 45.100 -0.143 0.000 0.837 146 G HN 0.529 nan 8.290 nan 0.000 0.564 147 G N -0.931 107.840 108.800 -0.050 0.000 2.296 147 G HA2 0.335 4.292 3.960 -0.004 0.000 0.282 147 G HA3 0.335 4.292 3.960 -0.004 0.000 0.282 147 G C 2.127 177.034 174.900 0.013 0.000 1.014 147 G CA 1.189 46.281 45.100 -0.014 0.000 0.812 147 G HN 3.133 nan 8.290 nan 0.000 0.508 148 G N -2.275 106.544 108.800 0.032 0.000 2.159 148 G HA2 -0.223 3.734 3.960 -0.004 0.000 0.256 148 G HA3 -0.223 3.734 3.960 -0.004 0.000 0.256 148 G C 0.214 175.220 174.900 0.176 0.000 0.977 148 G CA 0.799 45.983 45.100 0.140 0.000 0.652 148 G HN 1.140 nan 8.290 nan 0.000 0.531 149 Q N -0.153 119.659 119.800 0.020 0.000 2.360 149 Q HA 0.613 4.950 4.340 -0.004 0.000 0.254 149 Q C -0.585 175.356 176.000 -0.098 0.000 0.975 149 Q CA -0.159 55.657 55.803 0.022 0.000 0.912 149 Q CB 0.684 29.406 28.738 -0.027 0.000 1.212 149 Q HN 0.352 nan 8.270 nan 0.000 0.452 150 F N 0.917 120.855 119.950 -0.020 0.000 2.427 150 F HA 0.521 5.046 4.527 -0.004 0.000 0.346 150 F C 0.679 176.484 175.800 0.009 0.000 1.120 150 F CA -0.937 57.059 58.000 -0.007 0.000 1.033 150 F CB 1.427 40.416 39.000 -0.017 0.000 1.126 150 F HN 0.484 nan 8.300 nan 0.000 0.462 151 A N 4.951 127.851 122.820 0.134 0.000 2.386 151 A HA 0.529 4.846 4.320 -0.004 0.000 0.248 151 A C -2.426 175.243 177.584 0.142 0.000 1.082 151 A CA -1.530 50.568 52.037 0.102 0.000 0.789 151 A CB -0.275 18.760 19.000 0.058 0.000 1.025 151 A HN 0.450 nan 8.150 nan 0.000 0.490 152 P HA 0.150 nan 4.420 nan 0.000 0.264 152 P C -0.117 177.261 177.300 0.131 0.000 1.179 152 P CA 0.615 63.771 63.100 0.094 0.000 0.763 152 P CB 0.326 32.060 31.700 0.056 0.000 0.806 153 A N 3.730 126.631 122.820 0.136 0.000 2.540 153 A HA 0.089 4.407 4.320 -0.004 0.000 0.239 153 A C 0.150 177.859 177.584 0.208 0.000 1.061 153 A CA 0.406 52.563 52.037 0.200 0.000 0.758 153 A CB -0.381 18.624 19.000 0.007 0.000 0.991 153 A HN 0.555 nan 8.150 nan 0.000 0.502 154 Q N 0.551 120.512 119.800 0.268 0.000 2.365 154 Q HA 0.456 4.793 4.340 -0.004 0.000 0.269 154 Q C -0.991 175.152 176.000 0.238 0.000 1.061 154 Q CA -1.048 54.887 55.803 0.219 0.000 0.816 154 Q CB 2.388 31.201 28.738 0.125 0.000 1.325 154 Q HN 0.723 nan 8.270 nan 0.000 0.446 155 L N 1.884 123.185 121.223 0.131 0.000 2.477 155 L HA 0.130 4.468 4.340 -0.004 0.000 0.272 155 L C 0.492 177.321 176.870 -0.067 0.000 1.157 155 L CA 0.817 55.561 54.840 -0.161 0.000 0.889 155 L CB 0.558 42.513 42.059 -0.174 0.000 1.158 155 L HN 0.886 nan 8.230 nan 0.000 0.473 156 A N 5.284 128.066 122.820 -0.063 0.000 1.984 156 A HA 0.329 4.647 4.320 -0.004 0.000 0.214 156 A C 0.274 177.917 177.584 0.098 0.000 1.173 156 A CA 0.790 52.858 52.037 0.052 0.000 0.673 156 A CB -0.081 19.028 19.000 0.182 0.000 0.830 156 A HN 0.665 nan 8.150 nan 0.000 0.453 157 L N -0.389 120.848 121.223 0.023 0.000 2.643 157 L HA 0.310 4.647 4.340 -0.004 0.000 0.257 157 L C -1.518 175.317 176.870 -0.059 0.000 0.922 157 L CA -0.592 54.273 54.840 0.041 0.000 0.909 157 L CB 1.424 43.579 42.059 0.161 0.000 1.424 157 L HN 0.245 nan 8.230 nan 0.000 0.422 158 N N 2.392 121.062 118.700 -0.050 0.000 3.091 158 N HA 0.219 4.956 4.740 -0.004 0.000 0.301 158 N C -0.625 174.842 175.510 -0.072 0.000 1.325 158 N CA -0.107 52.902 53.050 -0.069 0.000 1.143 158 N CB -0.439 38.021 38.487 -0.045 0.000 1.450 158 N HN 0.601 nan 8.380 nan 0.000 0.542 159 N N -0.040 118.610 118.700 -0.082 0.000 2.825 159 N HA 0.372 5.109 4.740 -0.004 0.000 0.253 159 N C -0.777 174.628 175.510 -0.174 0.000 1.426 159 N CA -0.645 52.271 53.050 -0.224 0.000 0.851 159 N CB 0.490 38.731 38.487 -0.410 0.000 1.470 159 N HN 0.047 nan 8.380 nan 0.000 0.517 160 F N -2.132 117.548 119.950 -0.449 0.000 2.988 160 F HA -0.122 4.403 4.527 -0.003 0.000 0.287 160 F C 0.830 176.428 175.800 -0.336 0.000 0.781 160 F CA 1.035 58.447 58.000 -0.980 0.000 1.221 160 F CB -1.698 36.963 39.000 -0.565 0.000 1.392 160 F HN 0.428 nan 8.300 nan 0.000 0.425 161 G N -1.883 106.945 108.800 0.046 0.000 2.509 161 G HA2 0.400 4.357 3.960 -0.004 0.000 0.328 161 G HA3 0.400 4.357 3.960 -0.004 0.000 0.328 161 G C 0.116 175.226 174.900 0.350 0.000 1.194 161 G CA -0.518 44.724 45.100 0.236 0.000 0.967 161 G HN 0.086 nan 8.290 nan 0.000 0.488 162 Y N 0.870 121.317 120.300 0.245 0.000 2.207 162 Y HA -0.166 4.381 4.550 -0.005 0.000 0.287 162 Y C 2.877 178.872 175.900 0.158 0.000 1.156 162 Y CA 2.559 60.788 58.100 0.215 0.000 1.182 162 Y CB 0.032 38.597 38.460 0.176 0.000 0.979 162 Y HN 0.463 nan 8.280 nan 0.000 0.521 163 A N -0.479 122.494 122.820 0.254 0.000 1.972 163 A HA -0.238 4.080 4.320 -0.004 0.000 0.219 163 A C 1.836 179.469 177.584 0.080 0.000 1.169 163 A CA 1.853 53.976 52.037 0.144 0.000 0.635 163 A CB -0.511 18.557 19.000 0.112 0.000 0.810 163 A HN 0.564 nan 8.150 nan 0.000 0.446 164 Q N -1.523 118.351 119.800 0.124 0.000 2.320 164 Q HA 0.370 4.707 4.340 -0.004 0.000 0.201 164 Q C 0.987 177.016 176.000 0.049 0.000 0.910 164 Q CA 0.713 56.580 55.803 0.106 0.000 0.946 164 Q CB 0.326 29.153 28.738 0.150 0.000 1.062 164 Q HN 0.879 nan 8.270 nan 0.000 0.503 165 G N -1.068 107.720 108.800 -0.020 0.000 2.159 165 G HA2 -0.215 3.742 3.960 -0.004 0.000 0.227 165 G HA3 -0.215 3.742 3.960 -0.004 0.000 0.227 165 G C -0.654 174.125 174.900 -0.202 0.000 0.986 165 G CA -0.644 44.349 45.100 -0.178 0.000 0.651 165 G HN 0.258 nan 8.290 nan 0.000 0.523 166 W N 1.365 122.601 121.300 -0.106 0.000 2.287 166 W HA 0.764 5.422 4.660 -0.003 0.000 0.313 166 W C 0.709 177.295 176.519 0.111 0.000 1.267 166 W CA -0.349 57.042 57.345 0.077 0.000 1.201 166 W CB 0.672 30.183 29.460 0.085 0.000 1.196 166 W HN -0.030 nan 8.180 nan 0.000 0.536 167 R N 3.768 124.550 120.500 0.471 0.000 2.574 167 R HA 0.284 4.622 4.340 -0.004 0.000 0.288 167 R C 0.487 176.853 176.300 0.110 0.000 1.004 167 R CA -0.901 55.282 56.100 0.138 0.000 0.895 167 R CB 1.290 31.543 30.300 -0.080 0.000 1.191 167 R HN 0.609 nan 8.270 nan 0.000 0.444 168 L N 1.181 122.475 121.223 0.119 0.000 2.362 168 L HA -0.152 4.186 4.340 -0.004 0.000 0.219 168 L C 1.494 178.383 176.870 0.031 0.000 1.134 168 L CA 1.307 56.200 54.840 0.088 0.000 0.807 168 L CB -0.132 41.975 42.059 0.079 0.000 0.927 168 L HN 0.613 nan 8.230 nan 0.000 0.447 169 D N -0.663 119.728 120.400 -0.015 0.000 2.339 169 D HA -0.081 4.556 4.640 -0.004 0.000 0.217 169 D C 1.776 178.018 176.300 -0.098 0.000 1.050 169 D CA 0.345 54.323 54.000 -0.037 0.000 0.856 169 D CB 0.215 40.999 40.800 -0.027 0.000 0.922 169 D HN 0.310 nan 8.370 nan 0.000 0.518 170 R N -1.096 119.267 120.500 -0.229 0.000 2.383 170 R HA 0.237 4.575 4.340 -0.004 0.000 0.205 170 R C 0.218 176.337 176.300 -0.302 0.000 0.875 170 R CA 0.021 55.868 56.100 -0.421 0.000 1.039 170 R CB 0.570 30.312 30.300 -0.930 0.000 1.267 170 R HN 0.249 nan 8.270 nan 0.000 0.635 171 H N -0.403 118.736 119.070 0.115 0.000 2.894 171 H HA 0.537 5.090 4.556 -0.004 0.000 0.368 171 H C -1.095 174.387 175.328 0.258 0.000 1.181 171 H CA -0.908 55.263 56.048 0.205 0.000 1.146 171 H CB 2.439 32.323 29.762 0.204 0.000 1.839 171 H HN -0.186 nan 8.280 nan 0.000 0.557 172 L N 1.407 122.945 121.223 0.525 0.000 2.381 172 L HA 0.607 4.944 4.340 -0.004 0.000 0.268 172 L C -0.634 176.474 176.870 0.395 0.000 0.997 172 L CA -0.656 54.376 54.840 0.320 0.000 0.818 172 L CB 2.208 44.400 42.059 0.221 0.000 1.310 172 L HN 0.443 nan 8.230 nan 0.000 0.416 173 R N 2.075 122.556 120.500 -0.032 0.000 2.561 173 R HA 0.717 5.054 4.340 -0.004 0.000 0.297 173 R C -1.618 174.501 176.300 -0.302 0.000 0.969 173 R CA -0.432 55.547 56.100 -0.201 0.000 0.879 173 R CB 2.126 31.944 30.300 -0.803 0.000 1.178 173 R HN 0.310 nan 8.270 nan 0.000 0.445 174 F N 1.959 121.917 119.950 0.012 0.000 2.603 174 F HA 0.533 5.057 4.527 -0.005 0.000 0.317 174 F C -0.399 175.440 175.800 0.065 0.000 1.066 174 F CA -1.065 56.975 58.000 0.067 0.000 0.941 174 F CB 1.651 40.699 39.000 0.081 0.000 1.291 174 F HN 0.056 nan 8.300 nan 0.000 0.472 175 L N 2.412 123.776 121.223 0.235 0.000 2.313 175 L HA 0.900 5.237 4.340 -0.004 0.000 0.283 175 L C -0.557 176.387 176.870 0.123 0.000 1.013 175 L CA -0.622 54.315 54.840 0.162 0.000 0.816 175 L CB 1.480 43.627 42.059 0.146 0.000 1.236 175 L HN 0.762 nan 8.230 nan 0.000 0.419 176 A N 1.753 124.639 122.820 0.109 0.000 2.594 176 A HA 0.426 4.743 4.320 -0.004 0.000 0.296 176 A C -1.666 175.964 177.584 0.077 0.000 1.061 176 A CA -0.643 51.441 52.037 0.078 0.000 0.689 176 A CB 1.651 20.686 19.000 0.058 0.000 1.280 176 A HN 0.609 nan 8.150 nan 0.000 0.406 177 D N 1.819 122.256 120.400 0.061 0.000 2.344 177 D HA 0.279 4.916 4.640 -0.004 0.000 0.253 177 D C 1.078 177.411 176.300 0.055 0.000 1.255 177 D CA 0.590 54.624 54.000 0.056 0.000 0.894 177 D CB 1.033 41.855 40.800 0.037 0.000 1.067 177 D HN 0.866 nan 8.370 nan 0.000 0.492 178 V N 1.842 121.801 119.914 0.075 0.000 3.596 178 V HA 0.159 4.277 4.120 -0.004 0.000 0.289 178 V C 1.222 177.327 176.094 0.019 0.000 1.336 178 V CA 0.986 63.333 62.300 0.078 0.000 1.137 178 V CB -0.258 31.681 31.823 0.194 0.000 0.966 178 V HN 0.624 nan 8.190 nan 0.000 0.428 179 T N -4.725 109.839 114.554 0.017 0.000 2.964 179 T HA 0.472 4.819 4.350 -0.004 0.000 0.250 179 T C 1.666 176.360 174.700 -0.010 0.000 0.982 179 T CA 1.112 63.211 62.100 -0.001 0.000 0.959 179 T CB 0.717 69.595 68.868 0.017 0.000 1.141 179 T HN 1.516 nan 8.240 nan 0.000 0.494 180 G N 2.642 111.441 108.800 -0.002 0.000 2.176 180 G HA2 -0.236 3.722 3.960 -0.004 0.000 0.232 180 G HA3 -0.236 3.722 3.960 -0.004 0.000 0.232 180 G C 0.474 175.373 174.900 -0.002 0.000 0.986 180 G CA 0.524 45.620 45.100 -0.006 0.000 0.643 180 G HN 0.735 nan 8.290 nan 0.000 0.522 181 D N 0.493 120.895 120.400 0.003 0.000 2.349 181 D HA 0.352 4.989 4.640 -0.004 0.000 0.224 181 D C 1.906 178.208 176.300 0.004 0.000 1.029 181 D CA 0.867 54.868 54.000 0.002 0.000 0.879 181 D CB -0.655 40.147 40.800 0.003 0.000 0.906 181 D HN 1.624 nan 8.370 nan 0.000 0.528 182 G N -0.060 108.745 108.800 0.008 0.000 2.179 182 G HA2 -0.281 3.677 3.960 -0.004 0.000 0.260 182 G HA3 -0.281 3.677 3.960 -0.004 0.000 0.260 182 G C 0.085 174.994 174.900 0.015 0.000 0.977 182 G CA 0.356 45.462 45.100 0.009 0.000 0.641 182 G HN 0.428 nan 8.290 nan 0.000 0.533 183 L N 1.139 122.374 121.223 0.019 0.000 2.305 183 L HA 0.526 4.863 4.340 -0.004 0.000 0.281 183 L C 0.979 177.886 176.870 0.060 0.000 1.085 183 L CA -0.892 53.965 54.840 0.027 0.000 0.813 183 L CB 1.205 43.270 42.059 0.011 0.000 1.157 183 L HN 0.017 nan 8.230 nan 0.000 0.436 184 L N 3.560 124.833 121.223 0.083 0.000 2.313 184 L HA 0.220 4.558 4.340 -0.004 0.000 0.282 184 L C -0.098 176.899 176.870 0.212 0.000 1.092 184 L CA -0.333 54.581 54.840 0.124 0.000 0.831 184 L CB 0.419 42.551 42.059 0.121 0.000 1.159 184 L HN 0.571 nan 8.230 nan 0.000 0.442 185 D N 2.253 122.763 120.400 0.183 0.000 2.340 185 D HA 0.302 4.939 4.640 -0.004 0.000 0.251 185 D C -0.169 176.187 176.300 0.093 0.000 1.080 185 D CA -0.401 53.725 54.000 0.211 0.000 0.971 185 D CB 2.383 43.269 40.800 0.142 0.000 1.137 185 D HN 0.066 nan 8.370 nan 0.000 0.475 186 V N 1.190 121.041 119.914 -0.105 0.000 2.530 186 V HA 0.195 4.312 4.120 -0.004 0.000 0.282 186 V C 0.270 176.239 176.094 -0.207 0.000 1.048 186 V CA -0.445 61.662 62.300 -0.322 0.000 0.997 186 V CB 1.447 32.735 31.823 -0.892 0.000 0.987 186 V HN 0.218 nan 8.190 nan 0.000 0.477 187 V N 3.890 123.746 119.914 -0.097 0.000 2.444 187 V HA 0.783 4.901 4.120 -0.004 0.000 0.294 187 V C 0.471 176.600 176.094 0.058 0.000 1.022 187 V CA -0.305 61.957 62.300 -0.064 0.000 0.850 187 V CB 1.654 33.427 31.823 -0.084 0.000 0.992 187 V HN 0.984 nan 8.190 nan 0.000 0.426 188 G N 3.310 112.160 108.800 0.084 0.000 2.626 188 G HA2 0.646 4.603 3.960 -0.004 0.000 0.304 188 G HA3 0.646 4.603 3.960 -0.004 0.000 0.304 188 G C -1.072 174.151 174.900 0.539 0.000 1.385 188 G CA -0.439 44.907 45.100 0.411 0.000 0.957 188 G HN 0.479 nan 8.290 nan 0.000 0.504 189 F N 3.078 123.364 119.950 0.559 0.000 2.406 189 F HA 0.409 4.933 4.527 -0.005 0.000 0.358 189 F C 1.378 177.396 175.800 0.364 0.000 1.161 189 F CA -0.187 58.041 58.000 0.381 0.000 1.185 189 F CB 1.212 40.384 39.000 0.286 0.000 1.421 189 F HN 0.559 nan 8.300 nan 0.000 0.576 190 G N 1.522 110.491 108.800 0.281 0.000 2.546 190 G HA2 0.068 4.025 3.960 -0.004 0.000 0.239 190 G HA3 0.068 4.025 3.960 -0.004 0.000 0.239 190 G C 0.771 175.529 174.900 -0.237 0.000 1.476 190 G CA -0.139 44.668 45.100 -0.487 0.000 1.064 190 G HN 0.477 nan 8.290 nan 0.000 0.561 191 E N -0.582 119.373 120.200 -0.407 0.000 2.046 191 E HA -0.046 4.301 4.350 -0.004 0.000 0.190 191 E C 1.802 178.413 176.600 0.019 0.000 0.982 191 E CA 1.602 57.983 56.400 -0.032 0.000 0.800 191 E CB 0.091 29.743 29.700 -0.080 0.000 0.756 191 E HN 0.409 nan 8.360 nan 0.000 0.449 192 N N -0.939 117.752 118.700 -0.016 0.000 2.239 192 N HA 0.082 4.820 4.740 -0.004 0.000 0.208 192 N C -0.526 174.947 175.510 -0.061 0.000 1.200 192 N CA 0.117 53.161 53.050 -0.010 0.000 0.895 192 N CB 0.872 39.353 38.487 -0.009 0.000 1.085 192 N HN 0.063 nan 8.380 nan 0.000 0.500 193 Q N 0.407 120.129 119.800 -0.130 0.000 2.421 193 Q HA 0.406 4.743 4.340 -0.004 0.000 0.280 193 Q C -0.556 175.223 176.000 -0.368 0.000 1.085 193 Q CA -0.690 54.907 55.803 -0.343 0.000 0.807 193 Q CB 2.610 30.914 28.738 -0.723 0.000 1.405 193 Q HN -0.217 nan 8.270 nan 0.000 0.419 194 V N 2.078 121.760 119.914 -0.387 0.000 2.508 194 V HA 0.233 4.351 4.120 -0.004 0.000 0.281 194 V C -0.712 175.070 176.094 -0.520 0.000 1.041 194 V CA -0.050 61.979 62.300 -0.453 0.000 1.016 194 V CB -0.420 30.996 31.823 -0.678 0.000 0.984 194 V HN 0.537 nan 8.190 nan 0.000 0.478 195 Y N 4.579 124.878 120.300 -0.001 0.000 2.509 195 Y HA 0.730 5.277 4.550 -0.005 0.000 0.341 195 Y C 0.279 176.219 175.900 0.065 0.000 1.038 195 Y CA -0.978 57.188 58.100 0.110 0.000 1.089 195 Y CB 1.875 40.545 38.460 0.350 0.000 1.241 195 Y HN 0.657 nan 8.280 nan 0.000 0.468 196 I N 0.163 120.882 120.570 0.249 0.000 2.646 196 I HA 1.000 5.168 4.170 -0.004 0.000 0.299 196 I C -1.158 175.095 176.117 0.226 0.000 1.036 196 I CA -0.979 60.416 61.300 0.158 0.000 1.074 196 I CB 2.223 40.291 38.000 0.114 0.000 1.258 196 I HN 0.612 nan 8.210 nan 0.000 0.430 197 A N 5.398 128.290 122.820 0.120 0.000 2.332 197 A HA 0.634 4.951 4.320 -0.004 0.000 0.300 197 A C -0.414 177.299 177.584 0.216 0.000 1.153 197 A CA -0.753 51.393 52.037 0.181 0.000 0.764 197 A CB 0.758 19.854 19.000 0.160 0.000 1.174 197 A HN 0.831 nan 8.150 nan 0.000 0.467 198 R N 2.181 122.811 120.500 0.216 0.000 2.449 198 R HA 0.078 4.416 4.340 -0.004 0.000 0.296 198 R C 0.121 176.556 176.300 0.224 0.000 1.047 198 R CA -0.249 55.967 56.100 0.194 0.000 1.018 198 R CB 0.400 30.775 30.300 0.125 0.000 0.962 198 R HN 0.717 nan 8.270 nan 0.000 0.428 199 N N 1.080 119.899 118.700 0.198 0.000 2.431 199 N HA -0.024 4.713 4.740 -0.004 0.000 0.265 199 N C -0.160 175.306 175.510 -0.073 0.000 1.184 199 N CA 0.389 53.426 53.050 -0.022 0.000 0.943 199 N CB 0.994 39.483 38.487 0.003 0.000 1.080 199 N HN 0.409 nan 8.380 nan 0.000 0.477 200 S N 2.242 117.857 115.700 -0.141 0.000 2.562 200 S HA 0.128 4.595 4.470 -0.004 0.000 0.221 200 S C 1.304 175.844 174.600 -0.099 0.000 0.975 200 S CA 0.426 58.573 58.200 -0.088 0.000 0.918 200 S CB -0.165 62.989 63.200 -0.077 0.000 0.772 200 S HN 0.883 nan 8.310 nan 0.000 0.531 201 G N 2.701 111.416 108.800 -0.142 0.000 2.159 201 G HA2 -0.274 3.684 3.960 -0.004 0.000 0.256 201 G HA3 -0.274 3.684 3.960 -0.004 0.000 0.256 201 G C 0.212 175.049 174.900 -0.104 0.000 0.977 201 G CA 0.330 45.366 45.100 -0.108 0.000 0.652 201 G HN 0.677 nan 8.290 nan 0.000 0.531 202 N N -0.778 117.845 118.700 -0.128 0.000 2.377 202 N HA 0.464 5.202 4.740 -0.004 0.000 0.259 202 N C 1.288 176.732 175.510 -0.109 0.000 1.332 202 N CA 0.428 53.421 53.050 -0.095 0.000 0.877 202 N CB 0.159 38.604 38.487 -0.071 0.000 1.299 202 N HN 1.519 nan 8.380 nan 0.000 0.501 203 G N -0.267 108.436 108.800 -0.162 0.000 2.159 203 G HA2 -0.270 3.687 3.960 -0.004 0.000 0.256 203 G HA3 -0.270 3.687 3.960 -0.004 0.000 0.256 203 G C 0.015 174.799 174.900 -0.194 0.000 0.977 203 G CA 0.669 45.679 45.100 -0.150 0.000 0.652 203 G HN 0.991 nan 8.290 nan 0.000 0.531 204 T N -1.989 112.401 114.554 -0.275 0.000 2.906 204 T HA 0.784 5.131 4.350 -0.004 0.000 0.295 204 T C -0.574 173.879 174.700 -0.411 0.000 1.075 204 T CA -1.002 60.963 62.100 -0.225 0.000 1.005 204 T CB 2.362 71.182 68.868 -0.079 0.000 1.136 204 T HN 0.457 nan 8.240 nan 0.000 0.498 205 F N 0.626 120.571 119.950 -0.009 0.000 2.522 205 F HA 0.525 5.049 4.527 -0.005 0.000 0.324 205 F C 0.879 176.695 175.800 0.027 0.000 1.077 205 F CA -1.090 56.914 58.000 0.007 0.000 0.944 205 F CB 1.974 40.974 39.000 0.000 0.000 1.175 205 F HN 0.552 nan 8.300 nan 0.000 0.468 206 Q N 2.066 121.999 119.800 0.223 0.000 2.382 206 Q HA 0.288 4.625 4.340 -0.004 0.000 0.229 206 Q C -2.338 173.761 176.000 0.165 0.000 1.006 206 Q CA -1.899 53.993 55.803 0.148 0.000 0.916 206 Q CB 0.162 28.970 28.738 0.117 0.000 1.235 206 Q HN 0.229 nan 8.270 nan 0.000 0.512 207 P HA -0.066 nan 4.420 nan 0.000 0.264 207 P C -1.151 176.235 177.300 0.144 0.000 1.183 207 P CA 0.244 63.408 63.100 0.107 0.000 0.763 207 P CB 0.306 32.048 31.700 0.071 0.000 0.807 208 A N 4.021 126.928 122.820 0.144 0.000 2.565 208 A HA 0.059 4.376 4.320 -0.004 0.000 0.237 208 A C 0.208 177.937 177.584 0.243 0.000 1.053 208 A CA 0.328 52.495 52.037 0.217 0.000 0.755 208 A CB -0.324 18.683 19.000 0.011 0.000 0.980 208 A HN 0.445 nan 8.150 nan 0.000 0.506 209 Q N 0.886 120.870 119.800 0.307 0.000 2.331 209 Q HA 0.515 4.852 4.340 -0.004 0.000 0.267 209 Q C -0.219 175.933 176.000 0.253 0.000 1.006 209 Q CA -0.342 55.610 55.803 0.248 0.000 0.818 209 Q CB 1.841 30.677 28.738 0.164 0.000 1.276 209 Q HN 0.868 nan 8.270 nan 0.000 0.450 210 A N 2.186 125.093 122.820 0.146 0.000 2.492 210 A HA 0.286 4.604 4.320 -0.004 0.000 0.254 210 A C 1.051 178.572 177.584 -0.106 0.000 1.091 210 A CA -0.060 51.862 52.037 -0.192 0.000 0.768 210 A CB 0.047 18.912 19.000 -0.225 0.000 1.028 210 A HN 0.636 nan 8.150 nan 0.000 0.498 211 V N 1.088 120.899 119.914 -0.171 0.000 3.572 211 V HA 0.388 4.505 4.120 -0.004 0.000 0.260 211 V C 0.188 176.229 176.094 -0.087 0.000 1.324 211 V CA 0.274 62.534 62.300 -0.067 0.000 1.068 211 V CB -0.545 31.265 31.823 -0.022 0.000 0.837 211 V HN 0.571 nan 8.190 nan 0.000 0.450 212 V N 1.165 120.971 119.914 -0.181 0.000 2.817 212 V HA 0.389 4.506 4.120 -0.004 0.000 0.303 212 V C -0.693 175.320 176.094 -0.135 0.000 1.151 212 V CA -0.466 61.767 62.300 -0.112 0.000 0.929 212 V CB 1.678 33.454 31.823 -0.078 0.000 1.030 212 V HN 0.389 nan 8.190 nan 0.000 0.427 213 N N 3.953 122.596 118.700 -0.094 0.000 3.271 213 N HA 0.248 4.985 4.740 -0.004 0.000 0.303 213 N C -0.445 175.007 175.510 -0.097 0.000 1.415 213 N CA 0.009 53.003 53.050 -0.094 0.000 1.159 213 N CB 0.146 38.592 38.487 -0.068 0.000 1.432 213 N HN 0.771 nan 8.380 nan 0.000 0.521 214 N N 0.054 118.682 118.700 -0.119 0.000 3.339 214 N HA 0.181 4.918 4.740 -0.004 0.000 0.275 214 N C -0.709 174.657 175.510 -0.240 0.000 1.514 214 N CA -0.267 52.645 53.050 -0.231 0.000 0.879 214 N CB 0.410 38.637 38.487 -0.434 0.000 1.557 214 N HN 0.089 nan 8.380 nan 0.000 0.524 215 F N -1.580 118.010 119.950 -0.601 0.000 2.988 215 F HA -0.252 4.273 4.527 -0.003 0.000 0.287 215 F C -0.049 175.535 175.800 -0.360 0.000 0.781 215 F CA 0.052 57.354 58.000 -1.164 0.000 1.221 215 F CB -1.840 36.833 39.000 -0.546 0.000 1.392 215 F HN 0.300 nan 8.300 nan 0.000 0.425 216 C N -0.324 119.023 119.300 0.078 0.000 2.889 216 C HA 0.549 5.006 4.460 -0.004 0.000 0.307 216 C C 1.997 177.166 174.990 0.299 0.000 1.251 216 C CA -0.880 58.289 59.018 0.251 0.000 1.593 216 C CB 1.413 29.254 27.740 0.169 0.000 2.104 216 C HN 0.437 nan 8.230 nan 0.000 0.476 217 I N 1.440 122.168 120.570 0.264 0.000 2.264 217 I HA -0.095 4.073 4.170 -0.004 0.000 0.248 217 I C 1.927 178.125 176.117 0.135 0.000 1.111 217 I CA 2.413 63.832 61.300 0.199 0.000 1.382 217 I CB -0.020 38.057 38.000 0.128 0.000 1.060 217 I HN 0.937 nan 8.210 nan 0.000 0.418 218 G N -0.230 108.639 108.800 0.113 0.000 2.986 218 G HA2 0.419 4.376 3.960 -0.004 0.000 0.213 218 G HA3 0.419 4.376 3.960 -0.004 0.000 0.213 218 G C 0.341 175.274 174.900 0.055 0.000 1.156 218 G CA 0.464 45.604 45.100 0.067 0.000 0.763 218 G HN 0.444 nan 8.290 nan 0.000 0.547 219 A N -0.403 122.464 122.820 0.078 0.000 2.466 219 A HA 0.625 4.943 4.320 -0.004 0.000 0.291 219 A C 0.950 178.600 177.584 0.110 0.000 1.234 219 A CA 0.311 52.377 52.037 0.048 0.000 0.752 219 A CB 0.311 19.312 19.000 0.002 0.000 1.153 219 A HN 1.396 nan 8.150 nan 0.000 0.458 220 G N 1.047 109.898 108.800 0.086 0.000 2.176 220 G HA2 0.181 4.139 3.960 -0.004 0.000 0.232 220 G HA3 0.181 4.139 3.960 -0.004 0.000 0.232 220 G C 1.518 176.415 174.900 -0.004 0.000 0.986 220 G CA 0.746 45.899 45.100 0.089 0.000 0.643 220 G HN 2.661 nan 8.290 nan 0.000 0.522 221 G N -1.235 107.604 108.800 0.065 0.000 2.246 221 G HA2 -0.239 3.718 3.960 -0.004 0.000 0.273 221 G HA3 -0.239 3.718 3.960 -0.004 0.000 0.273 221 G C 0.191 175.067 174.900 -0.039 0.000 1.055 221 G CA 0.513 45.611 45.100 -0.003 0.000 0.851 221 G HN 1.151 nan 8.290 nan 0.000 0.500 222 W N 0.993 122.289 121.300 -0.006 0.000 2.358 222 W HA 0.558 5.216 4.660 -0.003 0.000 0.307 222 W C 1.087 177.768 176.519 0.269 0.000 1.203 222 W CA 0.280 57.690 57.345 0.108 0.000 1.279 222 W CB 0.976 30.497 29.460 0.103 0.000 1.264 222 W HN 0.439 nan 8.180 nan 0.000 0.474 223 T N 1.075 116.007 114.554 0.630 0.000 2.918 223 T HA 0.341 4.688 4.350 -0.004 0.000 0.286 223 T C 0.997 175.817 174.700 0.200 0.000 1.026 223 T CA -0.846 61.421 62.100 0.278 0.000 1.031 223 T CB 1.374 70.311 68.868 0.115 0.000 1.046 223 T HN 0.227 nan 8.240 nan 0.000 0.479 224 I N 2.077 122.720 120.570 0.122 0.000 2.286 224 I HA -0.141 4.026 4.170 -0.004 0.000 0.248 224 I C 2.762 178.903 176.117 0.040 0.000 1.115 224 I CA 1.827 63.180 61.300 0.088 0.000 1.392 224 I CB -1.575 36.457 38.000 0.053 0.000 1.065 224 I HN 0.928 nan 8.210 nan 0.000 0.418 225 S N 0.440 116.136 115.700 -0.007 0.000 2.489 225 S HA 0.154 4.621 4.470 -0.004 0.000 0.228 225 S C 1.728 176.269 174.600 -0.099 0.000 0.995 225 S CA 0.653 58.829 58.200 -0.040 0.000 0.934 225 S CB 0.087 63.262 63.200 -0.042 0.000 0.771 225 S HN 0.395 nan 8.310 nan 0.000 0.522 226 A N 0.250 122.929 122.820 -0.235 0.000 2.340 226 A HA 0.399 4.716 4.320 -0.004 0.000 0.213 226 A C 0.170 177.540 177.584 -0.356 0.000 1.299 226 A CA -0.305 51.489 52.037 -0.405 0.000 0.994 226 A CB 0.204 18.791 19.000 -0.689 0.000 1.132 226 A HN 0.631 nan 8.150 nan 0.000 0.519 227 H N 0.908 120.077 119.070 0.165 0.000 2.448 227 H HA 0.339 4.892 4.556 -0.005 0.000 0.237 227 H C -2.903 172.677 175.328 0.419 0.000 1.391 227 H CA -2.008 54.202 56.048 0.270 0.000 1.477 227 H CB 0.736 30.603 29.762 0.175 0.000 1.520 227 H HN 0.209 nan 8.280 nan 0.000 0.502 228 P HA 0.137 nan 4.420 nan 0.000 0.269 228 P C -0.164 177.413 177.300 0.462 0.000 1.215 228 P CA -0.200 63.131 63.100 0.385 0.000 0.780 228 P CB 1.331 33.210 31.700 0.297 0.000 0.898 229 R N 0.268 120.901 120.500 0.222 0.000 2.725 229 R HA 0.689 5.026 4.340 -0.004 0.000 0.277 229 R C -0.696 175.614 176.300 0.016 0.000 0.987 229 R CA -0.978 55.100 56.100 -0.037 0.000 0.901 229 R CB 2.223 32.196 30.300 -0.544 0.000 1.207 229 R HN 0.375 nan 8.270 nan 0.000 0.463 230 V N -1.174 118.667 119.914 -0.122 0.000 3.078 230 V HA 0.860 4.978 4.120 -0.004 0.000 0.311 230 V C -0.811 175.049 176.094 -0.390 0.000 1.138 230 V CA -0.914 61.322 62.300 -0.105 0.000 1.007 230 V CB 2.113 33.986 31.823 0.083 0.000 1.045 230 V HN 0.560 nan 8.190 nan 0.000 0.432 231 V N -0.286 119.327 119.914 -0.502 0.000 2.540 231 V HA 1.087 5.204 4.120 -0.004 0.000 0.302 231 V C -0.110 175.901 176.094 -0.138 0.000 1.035 231 V CA 0.000 62.083 62.300 -0.363 0.000 0.873 231 V CB 0.721 32.240 31.823 -0.507 0.000 0.992 231 V HN 2.554 nan 8.190 nan 0.000 0.428 232 A N 3.010 125.790 122.820 -0.068 0.000 2.594 232 A HA 0.626 4.944 4.320 -0.004 0.000 0.296 232 A C -1.232 176.355 177.584 0.006 0.000 1.061 232 A CA -0.462 51.570 52.037 -0.008 0.000 0.689 232 A CB 1.581 20.592 19.000 0.017 0.000 1.280 232 A HN 1.039 nan 8.150 nan 0.000 0.406 233 D N 1.442 121.850 120.400 0.013 0.000 2.346 233 D HA 0.332 4.969 4.640 -0.004 0.000 0.260 233 D C 0.518 176.823 176.300 0.008 0.000 1.252 233 D CA 0.135 54.139 54.000 0.007 0.000 0.895 233 D CB 0.335 41.137 40.800 0.003 0.000 1.097 233 D HN 0.384 nan 8.370 nan 0.000 0.489 234 L N 2.902 124.127 121.223 0.003 0.000 2.607 234 L HA 0.124 4.461 4.340 -0.004 0.000 0.228 234 L C 1.768 178.606 176.870 -0.053 0.000 1.123 234 L CA 0.415 55.250 54.840 -0.008 0.000 0.890 234 L CB 0.036 42.108 42.059 0.022 0.000 1.103 234 L HN 0.504 nan 8.230 nan 0.000 0.468 235 T N -5.771 108.756 114.554 -0.044 0.000 2.969 235 T HA 0.296 4.643 4.350 -0.004 0.000 0.258 235 T C 1.322 175.995 174.700 -0.045 0.000 0.962 235 T CA 0.596 62.663 62.100 -0.055 0.000 0.903 235 T CB 1.103 69.939 68.868 -0.053 0.000 1.177 235 T HN 0.223 nan 8.240 nan 0.000 0.511 236 G N 2.689 111.470 108.800 -0.033 0.000 2.163 236 G HA2 -0.207 3.750 3.960 -0.004 0.000 0.213 236 G HA3 -0.207 3.750 3.960 -0.004 0.000 0.213 236 G C 0.390 175.275 174.900 -0.024 0.000 0.991 236 G CA 0.456 45.541 45.100 -0.026 0.000 0.653 236 G HN 0.729 nan 8.290 nan 0.000 0.518 237 D N -0.058 120.324 120.400 -0.029 0.000 2.340 237 D HA 0.172 4.809 4.640 -0.004 0.000 0.220 237 D C 1.437 177.723 176.300 -0.023 0.000 1.039 237 D CA 0.291 54.274 54.000 -0.028 0.000 0.866 237 D CB -0.271 40.506 40.800 -0.038 0.000 0.913 237 D HN 0.620 nan 8.370 nan 0.000 0.523 238 R N -1.380 119.110 120.500 -0.017 0.000 3.840 238 R HA -0.145 4.193 4.340 -0.004 0.000 0.464 238 R C -0.481 175.814 176.300 -0.008 0.000 0.986 238 R CA 1.009 57.103 56.100 -0.009 0.000 1.305 238 R CB -1.901 28.395 30.300 -0.007 0.000 1.950 238 R HN 0.286 nan 8.270 nan 0.000 0.526 239 K N 1.156 121.545 120.400 -0.019 0.000 2.183 239 K HA 0.631 4.948 4.320 -0.004 0.000 0.274 239 K C 0.006 176.600 176.600 -0.010 0.000 1.009 239 K CA 0.036 56.310 56.287 -0.022 0.000 0.888 239 K CB 1.718 34.185 32.500 -0.055 0.000 1.078 239 K HN 0.177 nan 8.250 nan 0.000 0.459 240 A N 3.488 126.320 122.820 0.020 0.000 2.401 240 A HA 0.151 4.469 4.320 -0.004 0.000 0.259 240 A C -0.391 177.257 177.584 0.106 0.000 1.103 240 A CA -0.371 51.691 52.037 0.042 0.000 0.789 240 A CB 0.217 19.238 19.000 0.035 0.000 1.035 240 A HN 0.694 nan 8.150 nan 0.000 0.491 241 D N 0.908 121.359 120.400 0.085 0.000 2.440 241 D HA 0.512 5.149 4.640 -0.004 0.000 0.258 241 D C -0.378 175.944 176.300 0.037 0.000 1.092 241 D CA -0.050 54.045 54.000 0.158 0.000 1.016 241 D CB 1.370 42.214 40.800 0.073 0.000 1.141 241 D HN 0.422 nan 8.370 nan 0.000 0.552 242 I N 0.902 121.452 120.570 -0.033 0.000 2.359 242 I HA 0.355 4.523 4.170 -0.004 0.000 0.294 242 I C -0.385 175.530 176.117 -0.337 0.000 0.987 242 I CA -0.601 60.510 61.300 -0.316 0.000 1.225 242 I CB 1.562 39.192 38.000 -0.616 0.000 1.366 242 I HN -0.002 nan 8.210 nan 0.000 0.466 243 L N 5.380 126.373 121.223 -0.384 0.000 2.438 243 L HA 0.831 5.168 4.340 -0.004 0.000 0.270 243 L C -0.591 176.058 176.870 -0.369 0.000 0.972 243 L CA -0.112 54.543 54.840 -0.307 0.000 0.831 243 L CB 1.828 43.741 42.059 -0.243 0.000 1.273 243 L HN 0.681 nan 8.230 nan 0.000 0.405 244 G N 2.940 111.644 108.800 -0.160 0.000 2.542 244 G HA2 0.558 4.516 3.960 -0.004 0.000 0.311 244 G HA3 0.558 4.516 3.960 -0.004 0.000 0.311 244 G C -1.541 173.516 174.900 0.261 0.000 1.298 244 G CA -0.432 44.745 45.100 0.128 0.000 0.973 244 G HN 0.375 nan 8.290 nan 0.000 0.487 245 F N 2.330 122.602 119.950 0.537 0.000 2.334 245 F HA 0.492 5.016 4.527 -0.005 0.000 0.365 245 F C 1.142 177.176 175.800 0.391 0.000 1.124 245 F CA -0.159 58.061 58.000 0.367 0.000 1.166 245 F CB 1.398 40.514 39.000 0.193 0.000 1.355 245 F HN 0.584 nan 8.300 nan 0.000 0.532 246 G N 1.414 110.430 108.800 0.360 0.000 2.849 246 G HA2 0.373 4.331 3.960 -0.004 0.000 0.174 246 G HA3 0.373 4.331 3.960 -0.004 0.000 0.174 246 G C 0.770 175.673 174.900 0.006 0.000 1.370 246 G CA -0.416 44.527 45.100 -0.263 0.000 1.040 246 G HN 0.256 nan 8.290 nan 0.000 0.582 247 V N 0.714 120.545 119.914 -0.138 0.000 2.300 247 V HA 0.057 4.174 4.120 -0.004 0.000 0.241 247 V C 3.213 179.360 176.094 0.089 0.000 1.034 247 V CA 2.137 64.441 62.300 0.006 0.000 1.021 247 V CB -0.691 31.079 31.823 -0.089 0.000 0.662 247 V HN 0.701 nan 8.190 nan 0.000 0.458 248 A N -1.050 121.847 122.820 0.128 0.000 2.014 248 A HA 0.417 4.735 4.320 -0.004 0.000 0.218 248 A C 1.325 178.930 177.584 0.035 0.000 1.163 248 A CA 1.788 53.873 52.037 0.081 0.000 0.652 248 A CB -0.351 18.701 19.000 0.088 0.000 0.808 248 A HN 0.871 nan 8.150 nan 0.000 0.449 249 G N -2.474 106.361 108.800 0.058 0.000 2.491 249 G HA2 0.304 4.261 3.960 -0.004 0.000 0.183 249 G HA3 0.304 4.261 3.960 -0.004 0.000 0.183 249 G C -1.164 173.753 174.900 0.028 0.000 1.221 249 G CA -0.093 45.025 45.100 0.029 0.000 0.996 249 G HN 0.495 nan 8.290 nan 0.000 0.474 250 V N 1.416 121.280 119.914 -0.084 0.000 2.432 250 V HA 0.557 4.674 4.120 -0.004 0.000 0.271 250 V C -0.755 175.242 176.094 -0.163 0.000 1.046 250 V CA -0.140 62.092 62.300 -0.113 0.000 0.945 250 V CB 0.313 31.967 31.823 -0.281 0.000 0.992 250 V HN 0.491 nan 8.190 nan 0.000 0.471 251 Y N 2.617 123.026 120.300 0.182 0.000 2.409 251 Y HA 0.655 5.202 4.550 -0.005 0.000 0.339 251 Y C 0.739 176.821 175.900 0.303 0.000 1.033 251 Y CA -0.588 57.680 58.100 0.281 0.000 1.094 251 Y CB 2.259 40.970 38.460 0.418 0.000 1.210 251 Y HN 0.721 nan 8.280 nan 0.000 0.456 252 T N -1.529 113.285 114.554 0.433 0.000 2.916 252 T HA 0.650 4.997 4.350 -0.004 0.000 0.292 252 T C -0.824 174.111 174.700 0.392 0.000 1.055 252 T CA -1.027 61.263 62.100 0.316 0.000 1.009 252 T CB 1.759 70.740 68.868 0.187 0.000 1.118 252 T HN 0.496 nan 8.240 nan 0.000 0.497 253 S N 1.511 117.373 115.700 0.270 0.000 2.659 253 S HA 0.567 5.034 4.470 -0.004 0.000 0.312 253 S C -0.725 174.041 174.600 0.278 0.000 1.114 253 S CA -0.882 57.495 58.200 0.295 0.000 1.063 253 S CB -0.005 63.408 63.200 0.355 0.000 0.996 253 S HN 0.696 nan 8.310 nan 0.000 0.478 254 L N 4.413 125.752 121.223 0.194 0.000 2.305 254 L HA 0.410 4.747 4.340 -0.004 0.000 0.281 254 L C 0.855 177.684 176.870 -0.068 0.000 1.085 254 L CA -0.852 54.039 54.840 0.084 0.000 0.813 254 L CB 0.612 42.687 42.059 0.026 0.000 1.157 254 L HN 0.642 nan 8.230 nan 0.000 0.436 255 N N 2.751 121.271 118.700 -0.300 0.000 2.447 255 N HA -0.076 4.661 4.740 -0.004 0.000 0.263 255 N C 0.653 175.912 175.510 -0.419 0.000 1.226 255 N CA 0.253 52.823 53.050 -0.800 0.000 0.906 255 N CB 0.637 38.758 38.487 -0.611 0.000 1.060 255 N HN 0.516 nan 8.380 nan 0.000 0.468 256 N N 2.739 121.196 118.700 -0.404 0.000 2.520 256 N HA -0.053 4.684 4.740 -0.004 0.000 0.185 256 N C 1.073 176.479 175.510 -0.173 0.000 1.068 256 N CA 1.090 54.013 53.050 -0.212 0.000 0.911 256 N CB 0.099 38.494 38.487 -0.153 0.000 0.961 256 N HN 0.825 nan 8.380 nan 0.000 0.446 257 G N 0.920 109.591 108.800 -0.215 0.000 2.255 257 G HA2 -0.229 3.728 3.960 -0.004 0.000 0.196 257 G HA3 -0.229 3.728 3.960 -0.004 0.000 0.196 257 G C 0.339 175.169 174.900 -0.116 0.000 0.998 257 G CA 0.220 45.234 45.100 -0.143 0.000 0.656 257 G HN 0.506 nan 8.290 nan 0.000 0.490 258 N N 0.384 119.006 118.700 -0.129 0.000 2.238 258 N HA 0.426 5.163 4.740 -0.004 0.000 0.235 258 N C 1.415 176.885 175.510 -0.066 0.000 1.209 258 N CA 0.692 53.697 53.050 -0.076 0.000 0.879 258 N CB 0.263 38.720 38.487 -0.051 0.000 1.136 258 N HN 1.581 nan 8.380 nan 0.000 0.517 259 G N 0.238 108.956 108.800 -0.138 0.000 2.159 259 G HA2 -0.300 3.657 3.960 -0.004 0.000 0.256 259 G HA3 -0.300 3.657 3.960 -0.004 0.000 0.256 259 G C 0.132 175.048 174.900 0.026 0.000 0.977 259 G CA 0.666 45.737 45.100 -0.048 0.000 0.652 259 G HN 0.840 nan 8.290 nan 0.000 0.531 260 T N -1.674 112.817 114.554 -0.106 0.000 2.934 260 T HA 0.770 5.117 4.350 -0.004 0.000 0.283 260 T C -0.235 174.307 174.700 -0.263 0.000 1.005 260 T CA -0.745 61.360 62.100 0.009 0.000 1.041 260 T CB 2.041 70.917 68.868 0.013 0.000 1.042 260 T HN 0.368 nan 8.240 nan 0.000 0.505 261 F N -0.410 119.530 119.950 -0.017 0.000 2.546 261 F HA 0.655 5.180 4.527 -0.004 0.000 0.320 261 F C 1.106 176.908 175.800 0.002 0.000 1.076 261 F CA -0.806 57.185 58.000 -0.014 0.000 0.928 261 F CB 2.016 40.998 39.000 -0.030 0.000 1.189 261 F HN 1.003 nan 8.300 nan 0.000 0.465 262 G N 0.396 109.287 108.800 0.152 0.000 2.553 262 G HA2 0.522 4.479 3.960 -0.004 0.000 0.278 262 G HA3 0.522 4.479 3.960 -0.004 0.000 0.278 262 G C -0.627 174.358 174.900 0.142 0.000 1.349 262 G CA -0.384 44.783 45.100 0.111 0.000 1.037 262 G HN 0.860 nan 8.290 nan 0.000 0.508 263 A N -1.514 121.370 122.820 0.106 0.000 2.332 263 A HA 0.519 4.837 4.320 -0.004 0.000 0.258 263 A C 0.148 177.815 177.584 0.138 0.000 1.087 263 A CA -0.311 51.786 52.037 0.099 0.000 0.802 263 A CB 0.584 19.626 19.000 0.071 0.000 1.042 263 A HN 0.793 nan 8.150 nan 0.000 0.489 264 V N 2.216 122.203 119.914 0.123 0.000 2.488 264 V HA 0.196 4.313 4.120 -0.004 0.000 0.277 264 V C -0.003 176.216 176.094 0.209 0.000 1.046 264 V CA -0.052 62.349 62.300 0.169 0.000 0.986 264 V CB 0.365 32.179 31.823 -0.016 0.000 0.989 264 V HN 0.904 nan 8.190 nan 0.000 0.475 265 N N 3.125 121.990 118.700 0.275 0.000 2.258 265 N HA 0.539 5.277 4.740 -0.004 0.000 0.299 265 N C -1.024 174.601 175.510 0.193 0.000 1.047 265 N CA -0.790 52.390 53.050 0.218 0.000 0.814 265 N CB 2.161 40.732 38.487 0.139 0.000 1.413 265 N HN 0.602 nan 8.380 nan 0.000 0.478 266 L N 3.350 124.579 121.223 0.010 0.000 2.385 266 L HA 0.201 4.539 4.340 -0.004 0.000 0.281 266 L C 0.625 177.400 176.870 -0.158 0.000 1.106 266 L CA 0.170 54.767 54.840 -0.406 0.000 0.856 266 L CB 0.485 42.252 42.059 -0.486 0.000 1.186 266 L HN 0.646 nan 8.230 nan 0.000 0.453 267 V N 3.340 123.184 119.914 -0.116 0.000 3.661 267 V HA 0.399 4.516 4.120 -0.004 0.000 0.271 267 V C -0.012 176.100 176.094 0.030 0.000 1.315 267 V CA 0.022 62.338 62.300 0.027 0.000 1.072 267 V CB 0.420 32.343 31.823 0.167 0.000 0.830 267 V HN 0.557 nan 8.190 nan 0.000 0.443 268 L N 0.608 121.790 121.223 -0.068 0.000 2.543 268 L HA 0.542 4.879 4.340 -0.004 0.000 0.265 268 L C -0.327 176.502 176.870 -0.068 0.000 0.945 268 L CA -0.479 54.339 54.840 -0.037 0.000 0.869 268 L CB 2.163 44.191 42.059 -0.051 0.000 1.294 268 L HN 0.024 nan 8.230 nan 0.000 0.405 269 K N 3.493 123.865 120.400 -0.047 0.000 3.001 269 K HA 0.329 4.646 4.320 -0.004 0.000 0.257 269 K C -0.837 175.732 176.600 -0.053 0.000 1.290 269 K CA -0.088 56.168 56.287 -0.052 0.000 1.252 269 K CB -0.087 32.389 32.500 -0.038 0.000 1.656 269 K HN 0.485 nan 8.250 nan 0.000 0.351 270 D N -0.853 119.512 120.400 -0.059 0.000 2.692 270 D HA 0.206 4.843 4.640 -0.004 0.000 0.303 270 D C -0.154 176.076 176.300 -0.117 0.000 1.278 270 D CA -0.712 53.184 54.000 -0.174 0.000 0.852 270 D CB 0.710 41.255 40.800 -0.424 0.000 1.375 270 D HN 0.102 nan 8.370 nan 0.000 0.453 271 F N -1.443 118.246 119.950 -0.435 0.000 3.021 271 F HA -0.167 4.358 4.527 -0.003 0.000 0.294 271 F C 0.866 176.455 175.800 -0.353 0.000 0.761 271 F CA 1.097 58.461 58.000 -1.061 0.000 1.102 271 F CB -1.603 36.999 39.000 -0.665 0.000 1.380 271 F HN 0.277 nan 8.300 nan 0.000 0.387 272 G N -0.671 108.205 108.800 0.126 0.000 2.705 272 G HA2 0.505 4.462 3.960 -0.004 0.000 0.299 272 G HA3 0.505 4.462 3.960 -0.004 0.000 0.299 272 G C 0.652 175.729 174.900 0.294 0.000 1.315 272 G CA -0.121 45.126 45.100 0.245 0.000 1.045 272 G HN -0.023 nan 8.290 nan 0.000 0.517 273 V N 0.613 120.672 119.914 0.241 0.000 2.332 273 V HA -0.196 3.922 4.120 -0.004 0.000 0.248 273 V C 2.646 178.823 176.094 0.139 0.000 1.055 273 V CA 1.979 64.392 62.300 0.188 0.000 1.038 273 V CB -0.467 31.448 31.823 0.153 0.000 0.651 273 V HN 0.589 nan 8.190 nan 0.000 0.450 274 N N 0.109 118.878 118.700 0.115 0.000 2.381 274 N HA -0.087 4.650 4.740 -0.004 0.000 0.182 274 N C 1.705 177.255 175.510 0.066 0.000 1.025 274 N CA 1.354 54.446 53.050 0.070 0.000 0.888 274 N CB -0.205 38.313 38.487 0.051 0.000 0.965 274 N HN 0.406 nan 8.380 nan 0.000 0.438 275 S N -0.971 114.802 115.700 0.123 0.000 2.605 275 S HA 0.307 4.774 4.470 -0.004 0.000 0.217 275 S C 1.272 175.901 174.600 0.049 0.000 0.958 275 S CA 0.328 58.592 58.200 0.106 0.000 0.919 275 S CB 0.387 63.681 63.200 0.157 0.000 0.780 275 S HN 0.542 nan 8.310 nan 0.000 0.507 276 G N 0.644 109.475 108.800 0.051 0.000 2.157 276 G HA2 -0.229 3.729 3.960 -0.004 0.000 0.239 276 G HA3 -0.229 3.729 3.960 -0.004 0.000 0.239 276 G C -0.204 174.646 174.900 -0.083 0.000 0.982 276 G CA -0.594 44.465 45.100 -0.068 0.000 0.650 276 G HN 0.453 nan 8.290 nan 0.000 0.527 277 W N 1.166 122.471 121.300 0.009 0.000 2.238 277 W HA 0.765 5.422 4.660 -0.003 0.000 0.321 277 W C 0.747 177.385 176.519 0.199 0.000 1.293 277 W CA -0.261 57.148 57.345 0.107 0.000 1.204 277 W CB 0.638 30.124 29.460 0.043 0.000 1.167 277 W HN -0.032 nan 8.180 nan 0.000 0.553 278 R N 2.302 123.111 120.500 0.514 0.000 2.564 278 R HA 0.223 4.560 4.340 -0.004 0.000 0.284 278 R C 0.385 176.737 176.300 0.087 0.000 1.031 278 R CA -0.800 55.388 56.100 0.146 0.000 0.904 278 R CB 1.311 31.567 30.300 -0.073 0.000 1.199 278 R HN 0.403 nan 8.270 nan 0.000 0.443 279 V N 2.370 122.321 119.914 0.063 0.000 2.469 279 V HA -0.252 3.866 4.120 -0.004 0.000 0.251 279 V C 2.212 178.310 176.094 0.008 0.000 1.064 279 V CA 2.313 64.645 62.300 0.054 0.000 1.066 279 V CB -0.241 31.604 31.823 0.036 0.000 0.667 279 V HN 0.698 nan 8.190 nan 0.000 0.461 280 E N 0.455 120.627 120.200 -0.048 0.000 2.285 280 E HA -0.187 4.160 4.350 -0.004 0.000 0.194 280 E C 1.710 178.251 176.600 -0.097 0.000 0.997 280 E CA 1.037 57.401 56.400 -0.059 0.000 0.845 280 E CB -0.102 29.561 29.700 -0.062 0.000 0.782 280 E HN 0.591 nan 8.360 nan 0.000 0.491 281 K N -0.474 119.762 120.400 -0.274 0.000 2.365 281 K HA 0.183 4.501 4.320 -0.004 0.000 0.195 281 K C 0.084 176.505 176.600 -0.298 0.000 1.079 281 K CA 0.242 56.247 56.287 -0.469 0.000 0.979 281 K CB 0.587 32.344 32.500 -1.238 0.000 0.929 281 K HN 0.191 nan 8.250 nan 0.000 0.523 282 H N -0.823 118.328 119.070 0.136 0.000 2.865 282 H HA 0.404 4.957 4.556 -0.005 0.000 0.372 282 H C -1.323 174.144 175.328 0.231 0.000 1.173 282 H CA -1.163 55.026 56.048 0.234 0.000 1.147 282 H CB 2.405 32.350 29.762 0.306 0.000 1.805 282 H HN -0.274 nan 8.280 nan 0.000 0.553 283 V N 2.151 122.325 119.914 0.434 0.000 2.448 283 V HA 0.458 4.575 4.120 -0.004 0.000 0.295 283 V C -0.284 175.991 176.094 0.302 0.000 1.025 283 V CA -0.692 61.761 62.300 0.256 0.000 0.859 283 V CB 1.403 33.241 31.823 0.025 0.000 0.988 283 V HN 0.665 nan 8.190 nan 0.000 0.431 284 R N 3.020 123.539 120.500 0.032 0.000 2.513 284 R HA 0.768 5.105 4.340 -0.004 0.000 0.301 284 R C -1.397 174.810 176.300 -0.154 0.000 0.968 284 R CA -0.275 55.647 56.100 -0.296 0.000 0.872 284 R CB 1.849 31.510 30.300 -1.065 0.000 1.177 284 R HN 0.733 nan 8.270 nan 0.000 0.444 285 C N 1.861 121.139 119.300 -0.036 0.000 2.889 285 C HA 0.692 5.150 4.460 -0.004 0.000 0.307 285 C C -0.572 174.490 174.990 0.119 0.000 1.251 285 C CA -0.765 58.321 59.018 0.114 0.000 1.593 285 C CB 2.187 30.032 27.740 0.176 0.000 2.104 285 C HN 0.496 nan 8.230 nan 0.000 0.476 286 V N 1.858 121.858 119.914 0.144 0.000 2.531 286 V HA 0.818 4.935 4.120 -0.004 0.000 0.301 286 V C -0.199 175.961 176.094 0.110 0.000 1.034 286 V CA 0.061 62.427 62.300 0.111 0.000 0.865 286 V CB 1.600 33.481 31.823 0.097 0.000 0.995 286 V HN 0.977 nan 8.190 nan 0.000 0.424 287 S N 2.761 118.524 115.700 0.104 0.000 2.588 287 S HA 0.570 5.038 4.470 -0.004 0.000 0.269 287 S C -0.726 173.930 174.600 0.094 0.000 1.157 287 S CA -0.495 57.766 58.200 0.102 0.000 0.824 287 S CB 2.202 65.474 63.200 0.120 0.000 1.126 287 S HN 0.642 nan 8.310 nan 0.000 0.464 288 S N 2.381 118.127 115.700 0.078 0.000 2.448 288 S HA 0.379 4.847 4.470 -0.004 0.000 0.279 288 S C 0.660 175.299 174.600 0.066 0.000 1.195 288 S CA -0.459 57.779 58.200 0.063 0.000 1.051 288 S CB 0.287 63.512 63.200 0.042 0.000 0.948 288 S HN 0.561 nan 8.310 nan 0.000 0.493 289 L N 2.508 123.772 121.223 0.068 0.000 2.693 289 L HA 0.202 4.539 4.340 -0.004 0.000 0.235 289 L C 1.099 177.973 176.870 0.005 0.000 1.127 289 L CA -0.029 54.845 54.840 0.057 0.000 0.914 289 L CB 0.020 42.149 42.059 0.117 0.000 1.193 289 L HN 0.715 nan 8.230 nan 0.000 0.502 290 T N -5.074 109.485 114.554 0.008 0.000 2.778 290 T HA 0.181 4.528 4.350 -0.004 0.000 0.293 290 T C 0.558 175.253 174.700 -0.009 0.000 1.144 290 T CA -0.478 61.617 62.100 -0.008 0.000 1.010 290 T CB 1.216 70.084 68.868 -0.000 0.000 1.325 290 T HN 0.040 nan 8.240 nan 0.000 0.515 291 N N 0.087 118.778 118.700 -0.014 0.000 2.550 291 N HA -0.035 4.702 4.740 -0.004 0.000 0.186 291 N C 1.046 176.549 175.510 -0.012 0.000 1.110 291 N CA 0.431 53.473 53.050 -0.013 0.000 0.912 291 N CB -0.473 38.005 38.487 -0.015 0.000 0.968 291 N HN 0.673 nan 8.380 nan 0.000 0.448 292 K N 0.309 120.702 120.400 -0.013 0.000 2.288 292 K HA -0.017 4.300 4.320 -0.004 0.000 0.201 292 K C 0.131 176.722 176.600 -0.014 0.000 1.048 292 K CA 0.227 56.503 56.287 -0.017 0.000 0.956 292 K CB -0.046 32.438 32.500 -0.026 0.000 0.746 292 K HN 0.175 nan 8.250 nan 0.000 0.461 293 K N 0.814 121.211 120.400 -0.005 0.000 3.150 293 K HA -0.167 4.151 4.320 -0.004 0.000 0.267 293 K C -0.738 175.862 176.600 -0.000 0.000 1.028 293 K CA 0.404 56.692 56.287 0.001 0.000 0.753 293 K CB -1.394 31.105 32.500 -0.001 0.000 1.288 293 K HN 0.205 nan 8.250 nan 0.000 0.473 294 V N -3.173 116.742 119.914 0.001 0.000 3.158 294 V HA 0.837 4.954 4.120 -0.004 0.000 0.311 294 V C 0.648 176.758 176.094 0.026 0.000 1.181 294 V CA -0.379 61.920 62.300 -0.002 0.000 1.054 294 V CB 1.872 33.673 31.823 -0.036 0.000 1.085 294 V HN 0.166 nan 8.190 nan 0.000 0.446 295 G N 1.111 109.936 108.800 0.042 0.000 2.396 295 G HA2 0.404 4.362 3.960 -0.004 0.000 0.292 295 G HA3 0.404 4.362 3.960 -0.004 0.000 0.292 295 G C -0.433 174.568 174.900 0.168 0.000 1.106 295 G CA -0.180 44.975 45.100 0.092 0.000 1.055 295 G HN 0.734 nan 8.290 nan 0.000 0.424 296 D N 1.595 122.093 120.400 0.164 0.000 2.340 296 D HA 0.303 4.940 4.640 -0.004 0.000 0.251 296 D C 0.324 176.712 176.300 0.146 0.000 1.080 296 D CA -0.000 54.139 54.000 0.233 0.000 0.971 296 D CB 2.150 43.048 40.800 0.163 0.000 1.137 296 D HN 0.196 nan 8.370 nan 0.000 0.475 297 I N 1.237 121.844 120.570 0.061 0.000 2.336 297 I HA 0.260 4.428 4.170 -0.004 0.000 0.292 297 I C -0.409 175.570 176.117 -0.230 0.000 0.991 297 I CA -0.585 60.587 61.300 -0.214 0.000 1.227 297 I CB 0.951 38.597 38.000 -0.590 0.000 1.366 297 I HN 0.053 nan 8.210 nan 0.000 0.466 298 I N 5.503 125.933 120.570 -0.234 0.000 2.466 298 I HA 0.594 4.762 4.170 -0.004 0.000 0.289 298 I C 0.280 176.263 176.117 -0.224 0.000 1.026 298 I CA -0.163 61.028 61.300 -0.182 0.000 1.078 298 I CB 1.934 39.867 38.000 -0.112 0.000 1.249 298 I HN 0.565 nan 8.210 nan 0.000 0.429 299 G N 5.071 113.837 108.800 -0.056 0.000 2.609 299 G HA2 0.644 4.602 3.960 -0.004 0.000 0.308 299 G HA3 0.644 4.602 3.960 -0.004 0.000 0.308 299 G C -1.121 174.011 174.900 0.386 0.000 1.369 299 G CA -0.442 44.772 45.100 0.190 0.000 0.958 299 G HN 0.329 nan 8.290 nan 0.000 0.499 300 F N 2.843 123.032 119.950 0.398 0.000 2.405 300 F HA 0.448 4.972 4.527 -0.005 0.000 0.358 300 F C 1.280 177.316 175.800 0.393 0.000 1.151 300 F CA -0.072 58.112 58.000 0.307 0.000 1.161 300 F CB 1.384 40.475 39.000 0.151 0.000 1.245 300 F HN 0.571 nan 8.300 nan 0.000 0.545 301 G N 1.821 110.845 108.800 0.373 0.000 2.849 301 G HA2 0.087 4.044 3.960 -0.004 0.000 0.174 301 G HA3 0.087 4.044 3.960 -0.004 0.000 0.174 301 G C 0.450 175.369 174.900 0.031 0.000 1.370 301 G CA -0.252 44.645 45.100 -0.338 0.000 1.040 301 G HN 0.364 nan 8.290 nan 0.000 0.582 302 D N -0.010 120.334 120.400 -0.094 0.000 2.146 302 D HA 0.013 4.650 4.640 -0.004 0.000 0.209 302 D C 2.554 178.951 176.300 0.161 0.000 0.973 302 D CA 1.367 55.448 54.000 0.136 0.000 0.860 302 D CB -0.382 40.438 40.800 0.033 0.000 1.015 302 D HN 0.293 nan 8.370 nan 0.000 0.465 303 A N 0.045 122.954 122.820 0.148 0.000 2.167 303 A HA 0.448 4.765 4.320 -0.004 0.000 0.214 303 A C 1.166 178.760 177.584 0.017 0.000 1.151 303 A CA 1.432 53.526 52.037 0.095 0.000 0.735 303 A CB 0.058 19.123 19.000 0.108 0.000 0.802 303 A HN 0.381 nan 8.150 nan 0.000 0.467 304 G N -2.324 106.497 108.800 0.034 0.000 2.368 304 G HA2 0.323 4.281 3.960 -0.004 0.000 0.269 304 G HA3 0.323 4.281 3.960 -0.004 0.000 0.269 304 G C -1.313 173.505 174.900 -0.137 0.000 1.291 304 G CA -0.107 44.935 45.100 -0.096 0.000 0.903 304 G HN 0.461 nan 8.290 nan 0.000 0.483 305 V N 1.069 120.795 119.914 -0.313 0.000 2.407 305 V HA 0.579 4.697 4.120 -0.004 0.000 0.278 305 V C -0.818 175.030 176.094 -0.411 0.000 1.037 305 V CA -0.302 61.764 62.300 -0.391 0.000 0.900 305 V CB 0.582 32.017 31.823 -0.646 0.000 0.983 305 V HN 0.527 nan 8.190 nan 0.000 0.459 306 Y N 3.086 123.387 120.300 0.002 0.000 2.387 306 Y HA 0.709 5.257 4.550 -0.005 0.000 0.336 306 Y C 0.058 176.067 175.900 0.182 0.000 1.067 306 Y CA -0.772 57.407 58.100 0.132 0.000 1.114 306 Y CB 2.110 40.732 38.460 0.269 0.000 1.208 306 Y HN 0.347 nan 8.280 nan 0.000 0.458 307 V N 2.274 122.377 119.914 0.316 0.000 2.709 307 V HA 0.814 4.932 4.120 -0.004 0.000 0.308 307 V C -0.858 175.426 176.094 0.317 0.000 1.062 307 V CA -0.971 61.482 62.300 0.255 0.000 0.901 307 V CB 1.864 33.776 31.823 0.150 0.000 1.003 307 V HN 0.836 nan 8.190 nan 0.000 0.425 308 A N 5.380 128.377 122.820 0.295 0.000 2.319 308 A HA 0.851 5.168 4.320 -0.004 0.000 0.310 308 A C -0.927 176.855 177.584 0.330 0.000 1.152 308 A CA -0.497 51.724 52.037 0.306 0.000 0.783 308 A CB 0.763 19.962 19.000 0.332 0.000 1.184 308 A HN 0.794 nan 8.150 nan 0.000 0.474 309 L N 2.539 123.935 121.223 0.289 0.000 2.305 309 L HA 0.265 4.602 4.340 -0.004 0.000 0.281 309 L C 0.541 177.514 176.870 0.171 0.000 1.085 309 L CA -0.837 54.136 54.840 0.223 0.000 0.813 309 L CB 0.769 42.904 42.059 0.126 0.000 1.157 309 L HN 0.735 nan 8.230 nan 0.000 0.436 310 N N 2.673 121.387 118.700 0.023 0.000 2.483 310 N HA -0.039 4.699 4.740 -0.004 0.000 0.264 310 N C 0.633 176.003 175.510 -0.233 0.000 1.197 310 N CA 0.199 53.001 53.050 -0.413 0.000 0.927 310 N CB 0.701 38.977 38.487 -0.351 0.000 1.065 310 N HN 0.494 nan 8.380 nan 0.000 0.461 311 N N 2.586 121.120 118.700 -0.276 0.000 2.512 311 N HA -0.025 4.712 4.740 -0.004 0.000 0.183 311 N C 0.929 176.363 175.510 -0.127 0.000 1.073 311 N CA 1.055 54.017 53.050 -0.147 0.000 0.911 311 N CB 0.136 38.551 38.487 -0.120 0.000 0.964 311 N HN 0.821 nan 8.380 nan 0.000 0.447 312 G N 1.034 109.736 108.800 -0.164 0.000 2.229 312 G HA2 -0.225 3.733 3.960 -0.004 0.000 0.189 312 G HA3 -0.225 3.733 3.960 -0.004 0.000 0.189 312 G C 0.321 175.151 174.900 -0.117 0.000 1.000 312 G CA 0.217 45.247 45.100 -0.115 0.000 0.663 312 G HN 0.503 nan 8.290 nan 0.000 0.493 313 N N -0.030 118.580 118.700 -0.150 0.000 2.194 313 N HA 0.447 5.184 4.740 -0.004 0.000 0.231 313 N C 1.439 176.864 175.510 -0.142 0.000 1.247 313 N CA 0.735 53.714 53.050 -0.119 0.000 0.884 313 N CB 0.311 38.746 38.487 -0.087 0.000 1.146 313 N HN 1.544 nan 8.380 nan 0.000 0.516 314 G N -0.083 108.566 108.800 -0.251 0.000 2.176 314 G HA2 -0.296 3.662 3.960 -0.004 0.000 0.253 314 G HA3 -0.296 3.662 3.960 -0.004 0.000 0.253 314 G C 0.151 174.861 174.900 -0.316 0.000 0.979 314 G CA 0.621 45.562 45.100 -0.265 0.000 0.641 314 G HN 0.866 nan 8.290 nan 0.000 0.530 315 T N -1.569 112.782 114.554 -0.338 0.000 2.934 315 T HA 0.774 5.122 4.350 -0.004 0.000 0.283 315 T C -0.381 174.038 174.700 -0.468 0.000 1.005 315 T CA -0.757 61.235 62.100 -0.180 0.000 1.041 315 T CB 2.063 70.897 68.868 -0.057 0.000 1.042 315 T HN 0.430 nan 8.240 nan 0.000 0.505 316 F N -0.291 119.670 119.950 0.018 0.000 2.551 316 F HA 0.644 5.168 4.527 -0.004 0.000 0.316 316 F C 1.018 176.842 175.800 0.040 0.000 1.089 316 F CA -0.808 57.211 58.000 0.032 0.000 0.915 316 F CB 2.017 41.043 39.000 0.044 0.000 1.186 316 F HN 1.022 nan 8.300 nan 0.000 0.456 317 G N 1.516 110.442 108.800 0.209 0.000 2.611 317 G HA2 0.468 4.425 3.960 -0.004 0.000 0.273 317 G HA3 0.468 4.425 3.960 -0.004 0.000 0.273 317 G C -2.583 172.422 174.900 0.176 0.000 1.305 317 G CA -1.097 44.094 45.100 0.152 0.000 1.010 317 G HN 0.376 nan 8.290 nan 0.000 0.509 318 P HA 0.225 nan 4.420 nan 0.000 0.274 318 P C -0.285 177.101 177.300 0.143 0.000 1.237 318 P CA -0.376 62.793 63.100 0.115 0.000 0.793 318 P CB 1.226 32.976 31.700 0.082 0.000 0.977 319 V N 3.036 123.025 119.914 0.125 0.000 2.521 319 V HA 0.094 4.212 4.120 -0.004 0.000 0.286 319 V C 0.824 177.022 176.094 0.173 0.000 1.034 319 V CA 0.399 62.795 62.300 0.159 0.000 1.045 319 V CB -0.339 31.490 31.823 0.009 0.000 0.974 319 V HN 0.490 nan 8.190 nan 0.000 0.480 320 K N 4.334 124.855 120.400 0.200 0.000 2.324 320 K HA 0.518 4.835 4.320 -0.004 0.000 0.253 320 K C -0.391 176.253 176.600 0.072 0.000 0.932 320 K CA -0.920 55.449 56.287 0.137 0.000 0.799 320 K CB 2.375 34.934 32.500 0.098 0.000 1.154 320 K HN 0.491 nan 8.250 nan 0.000 0.425 321 R N 2.456 122.915 120.500 -0.068 0.000 2.291 321 R HA 0.033 4.370 4.340 -0.004 0.000 0.333 321 R C 0.839 176.995 176.300 -0.240 0.000 1.082 321 R CA -0.120 55.719 56.100 -0.433 0.000 0.948 321 R CB 0.251 30.222 30.300 -0.547 0.000 1.009 321 R HN 0.618 nan 8.270 nan 0.000 0.460 322 V N 2.819 122.593 119.914 -0.233 0.000 3.471 322 V HA 0.287 4.405 4.120 -0.004 0.000 0.258 322 V C 0.534 176.557 176.094 -0.118 0.000 1.192 322 V CA 0.329 62.568 62.300 -0.102 0.000 1.116 322 V CB -0.210 31.600 31.823 -0.022 0.000 0.792 322 V HN 0.502 nan 8.190 nan 0.000 0.459 323 I N 0.308 120.750 120.570 -0.215 0.000 2.644 323 I HA 0.463 4.630 4.170 -0.004 0.000 0.291 323 I C -1.408 174.611 176.117 -0.163 0.000 1.180 323 I CA -0.485 60.729 61.300 -0.143 0.000 1.040 323 I CB 2.151 40.090 38.000 -0.102 0.000 1.255 323 I HN -0.189 nan 8.210 nan 0.000 0.422 324 D N 5.277 125.604 120.400 -0.122 0.000 2.845 324 D HA 0.279 4.916 4.640 -0.004 0.000 0.235 324 D C -0.416 175.809 176.300 -0.124 0.000 1.158 324 D CA 0.495 54.423 54.000 -0.119 0.000 0.990 324 D CB -0.126 40.619 40.800 -0.091 0.000 1.094 324 D HN 0.425 nan 8.370 nan 0.000 0.486 325 N N -0.548 118.074 118.700 -0.131 0.000 3.355 325 N HA 0.098 4.835 4.740 -0.004 0.000 0.238 325 N C -0.447 174.953 175.510 -0.184 0.000 1.466 325 N CA -0.593 52.318 53.050 -0.232 0.000 0.882 325 N CB 0.579 38.805 38.487 -0.435 0.000 1.406 325 N HN -0.042 nan 8.380 nan 0.000 0.500 326 F N -1.947 117.646 119.950 -0.594 0.000 2.871 326 F HA -0.168 4.357 4.527 -0.003 0.000 0.326 326 F C 0.985 176.491 175.800 -0.491 0.000 0.675 326 F CA 1.214 58.505 58.000 -1.182 0.000 1.188 326 F CB -1.675 36.962 39.000 -0.605 0.000 1.567 326 F HN 0.437 nan 8.300 nan 0.000 0.325 327 G N -1.772 107.035 108.800 0.011 0.000 2.488 327 G HA2 0.360 4.318 3.960 -0.004 0.000 0.318 327 G HA3 0.360 4.318 3.960 -0.004 0.000 0.318 327 G C 0.193 175.290 174.900 0.329 0.000 1.188 327 G CA -0.270 44.968 45.100 0.229 0.000 0.944 327 G HN 0.135 nan 8.290 nan 0.000 0.495 328 Y N 0.607 121.057 120.300 0.250 0.000 2.165 328 Y HA -0.231 4.316 4.550 -0.005 0.000 0.286 328 Y C 2.615 178.606 175.900 0.152 0.000 1.155 328 Y CA 2.419 60.642 58.100 0.206 0.000 1.164 328 Y CB 0.122 38.669 38.460 0.145 0.000 0.978 328 Y HN 0.454 nan 8.280 nan 0.000 0.513 329 N N 0.158 119.013 118.700 0.258 0.000 2.289 329 N HA -0.161 4.576 4.740 -0.004 0.000 0.184 329 N C 1.152 176.693 175.510 0.051 0.000 1.016 329 N CA 1.397 54.526 53.050 0.133 0.000 0.872 329 N CB -0.366 38.192 38.487 0.119 0.000 0.973 329 N HN 0.494 nan 8.380 nan 0.000 0.433 330 Q N -0.784 119.074 119.800 0.096 0.000 2.322 330 Q HA 0.325 4.662 4.340 -0.004 0.000 0.203 330 Q C 0.955 176.984 176.000 0.048 0.000 0.923 330 Q CA 0.414 56.270 55.803 0.088 0.000 0.949 330 Q CB 0.116 28.932 28.738 0.131 0.000 1.039 330 Q HN 0.365 nan 8.270 nan 0.000 0.496 331 G N -1.163 107.612 108.800 -0.042 0.000 2.175 331 G HA2 -0.232 3.726 3.960 -0.004 0.000 0.244 331 G HA3 -0.232 3.726 3.960 -0.004 0.000 0.244 331 G C -0.577 174.215 174.900 -0.180 0.000 0.982 331 G CA -0.502 44.485 45.100 -0.187 0.000 0.641 331 G HN 0.287 nan 8.290 nan 0.000 0.527 332 W N 1.431 122.654 121.300 -0.128 0.000 2.266 332 W HA 0.752 5.409 4.660 -0.004 0.000 0.317 332 W C 0.760 177.360 176.519 0.135 0.000 1.310 332 W CA -0.360 57.022 57.345 0.061 0.000 1.207 332 W CB 0.614 30.117 29.460 0.073 0.000 1.199 332 W HN -0.036 nan 8.180 nan 0.000 0.544 333 R N 2.290 123.099 120.500 0.516 0.000 2.621 333 R HA 0.293 4.630 4.340 -0.004 0.000 0.292 333 R C 0.476 176.854 176.300 0.130 0.000 0.969 333 R CA -0.837 55.378 56.100 0.192 0.000 0.887 333 R CB 1.461 31.755 30.300 -0.011 0.000 1.180 333 R HN 0.387 nan 8.270 nan 0.000 0.450 334 V N 1.255 121.239 119.914 0.116 0.000 2.407 334 V HA -0.213 3.904 4.120 -0.004 0.000 0.248 334 V C 0.904 176.998 176.094 -0.001 0.000 1.055 334 V CA 1.903 64.240 62.300 0.063 0.000 1.049 334 V CB -0.182 31.676 31.823 0.059 0.000 0.662 334 V HN 0.603 nan 8.190 nan 0.000 0.455 335 D N -0.672 119.711 120.400 -0.028 0.000 2.349 335 D HA 0.007 4.645 4.640 -0.004 0.000 0.224 335 D C 1.824 178.045 176.300 -0.132 0.000 1.029 335 D CA 0.674 54.638 54.000 -0.060 0.000 0.879 335 D CB 0.140 40.913 40.800 -0.045 0.000 0.906 335 D HN 0.475 nan 8.370 nan 0.000 0.528 336 K N -1.037 119.210 120.400 -0.255 0.000 2.548 336 K HA 0.132 4.449 4.320 -0.004 0.000 0.209 336 K C -0.213 176.125 176.600 -0.437 0.000 1.420 336 K CA -0.005 56.003 56.287 -0.464 0.000 0.985 336 K CB 0.979 32.947 32.500 -0.886 0.000 1.249 336 K HN 0.130 nan 8.250 nan 0.000 0.557 337 H N 1.292 120.399 119.070 0.063 0.000 2.716 337 H HA 0.252 4.805 4.556 -0.005 0.000 0.260 337 H C -2.807 172.626 175.328 0.176 0.000 1.280 337 H CA -2.018 54.120 56.048 0.149 0.000 1.506 337 H CB 0.966 30.835 29.762 0.178 0.000 1.514 337 H HN -0.113 nan 8.280 nan 0.000 0.502 338 P HA -0.002 nan 4.420 nan 0.000 0.262 338 P C -0.292 176.911 177.300 -0.162 0.000 1.182 338 P CA 0.352 63.368 63.100 -0.139 0.000 0.761 338 P CB 0.694 32.251 31.700 -0.237 0.000 0.795 339 R N 2.643 122.786 120.500 -0.597 0.000 2.621 339 R HA 0.652 4.990 4.340 -0.004 0.000 0.292 339 R C -0.911 174.884 176.300 -0.841 0.000 0.969 339 R CA -0.500 55.205 56.100 -0.658 0.000 0.887 339 R CB 1.280 31.001 30.300 -0.965 0.000 1.180 339 R HN 0.333 nan 8.270 nan 0.000 0.450 340 F N 0.806 120.755 119.950 -0.003 0.000 2.576 340 F HA 0.477 5.002 4.527 -0.003 0.000 0.313 340 F C -0.333 175.542 175.800 0.126 0.000 1.078 340 F CA -1.106 56.950 58.000 0.093 0.000 0.921 340 F CB 1.907 41.008 39.000 0.169 0.000 1.232 340 F HN 0.025 nan 8.300 nan 0.000 0.459 341 V N 3.379 123.508 119.914 0.358 0.000 2.334 341 V HA 0.744 4.862 4.120 -0.004 0.000 0.281 341 V C -0.805 175.422 176.094 0.222 0.000 1.016 341 V CA -0.630 61.829 62.300 0.264 0.000 0.832 341 V CB 1.376 33.341 31.823 0.236 0.000 0.999 341 V HN 0.650 nan 8.190 nan 0.000 0.439 342 V N 3.452 123.480 119.914 0.190 0.000 3.147 342 V HA 0.561 4.679 4.120 -0.004 0.000 0.299 342 V C -1.503 174.661 176.094 0.117 0.000 1.302 342 V CA -0.627 61.757 62.300 0.139 0.000 1.015 342 V CB 2.521 34.421 31.823 0.128 0.000 1.086 342 V HN 0.788 nan 8.190 nan 0.000 0.437 343 D N 3.408 123.860 120.400 0.086 0.000 2.371 343 D HA 0.330 4.967 4.640 -0.004 0.000 0.256 343 D C 0.685 177.025 176.300 0.067 0.000 1.193 343 D CA 0.335 54.376 54.000 0.067 0.000 0.881 343 D CB 1.123 41.952 40.800 0.048 0.000 1.143 343 D HN 0.583 nan 8.370 nan 0.000 0.473 344 L N 2.637 123.901 121.223 0.068 0.000 2.693 344 L HA 0.127 4.464 4.340 -0.004 0.000 0.235 344 L C 1.679 178.579 176.870 0.050 0.000 1.127 344 L CA 0.225 55.104 54.840 0.065 0.000 0.914 344 L CB 0.327 42.431 42.059 0.076 0.000 1.193 344 L HN 0.467 nan 8.230 nan 0.000 0.502 345 T N -5.757 108.820 114.554 0.039 0.000 2.986 345 T HA 0.293 4.640 4.350 -0.004 0.000 0.264 345 T C 1.359 176.071 174.700 0.019 0.000 0.964 345 T CA 0.551 62.666 62.100 0.026 0.000 0.895 345 T CB 1.077 69.955 68.868 0.017 0.000 1.163 345 T HN 0.221 nan 8.240 nan 0.000 0.517 346 G N 2.861 111.674 108.800 0.021 0.000 2.176 346 G HA2 -0.278 3.679 3.960 -0.004 0.000 0.253 346 G HA3 -0.278 3.679 3.960 -0.004 0.000 0.253 346 G C 0.549 175.454 174.900 0.009 0.000 0.979 346 G CA 0.532 45.642 45.100 0.018 0.000 0.641 346 G HN 0.735 nan 8.290 nan 0.000 0.530 347 D N 0.316 120.717 120.400 0.002 0.000 2.340 347 D HA 0.334 4.971 4.640 -0.004 0.000 0.220 347 D C 1.874 178.171 176.300 -0.006 0.000 1.039 347 D CA 0.879 54.875 54.000 -0.007 0.000 0.866 347 D CB -0.616 40.172 40.800 -0.019 0.000 0.913 347 D HN 1.610 nan 8.370 nan 0.000 0.523 348 G N -0.462 108.340 108.800 0.002 0.000 2.179 348 G HA2 -0.277 3.680 3.960 -0.004 0.000 0.260 348 G HA3 -0.277 3.680 3.960 -0.004 0.000 0.260 348 G C 0.160 175.063 174.900 0.004 0.000 0.977 348 G CA 0.270 45.373 45.100 0.005 0.000 0.641 348 G HN 0.478 nan 8.290 nan 0.000 0.533 349 C N 1.866 121.161 119.300 -0.008 0.000 2.281 349 C HA 0.830 5.288 4.460 -0.004 0.000 0.323 349 C C 1.068 176.056 174.990 -0.004 0.000 1.270 349 C CA -0.492 58.514 59.018 -0.021 0.000 1.559 349 C CB 0.299 27.995 27.740 -0.072 0.000 2.239 349 C HN 1.062 nan 8.230 nan 0.000 0.488 350 A N 3.740 126.587 122.820 0.046 0.000 2.462 350 A HA 0.430 4.747 4.320 -0.004 0.000 0.243 350 A C 0.235 177.907 177.584 0.148 0.000 1.076 350 A CA 0.286 52.381 52.037 0.097 0.000 0.773 350 A CB 0.261 19.337 19.000 0.127 0.000 1.010 350 A HN 0.858 nan 8.150 nan 0.000 0.493 351 D N 0.391 120.893 120.400 0.169 0.000 2.549 351 D HA 0.523 5.160 4.640 -0.004 0.000 0.270 351 D C -0.358 176.091 176.300 0.248 0.000 1.181 351 D CA -0.188 53.968 54.000 0.260 0.000 1.070 351 D CB 0.827 41.722 40.800 0.159 0.000 1.154 351 D HN 0.246 nan 8.370 nan 0.000 0.602 352 I N 1.071 121.751 120.570 0.183 0.000 2.433 352 I HA 0.327 4.495 4.170 -0.004 0.000 0.292 352 I C -0.144 175.943 176.117 -0.049 0.000 1.001 352 I CA -0.836 60.442 61.300 -0.036 0.000 1.119 352 I CB 1.347 39.090 38.000 -0.427 0.000 1.289 352 I HN 0.019 nan 8.210 nan 0.000 0.438 353 V N 4.987 124.896 119.914 -0.009 0.000 2.735 353 V HA 0.958 5.075 4.120 -0.004 0.000 0.310 353 V C -0.426 175.687 176.094 0.032 0.000 1.061 353 V CA -0.133 62.195 62.300 0.046 0.000 0.913 353 V CB 2.069 33.945 31.823 0.088 0.000 1.005 353 V HN 0.920 nan 8.190 nan 0.000 0.428 354 G N 4.767 113.690 108.800 0.205 0.000 2.732 354 G HA2 0.595 4.552 3.960 -0.004 0.000 0.295 354 G HA3 0.595 4.552 3.960 -0.004 0.000 0.295 354 G C -1.331 173.905 174.900 0.560 0.000 1.456 354 G CA -0.495 44.871 45.100 0.443 0.000 1.050 354 G HN 0.587 nan 8.290 nan 0.000 0.525 355 F N 2.840 123.065 119.950 0.459 0.000 2.462 355 F HA 0.424 4.948 4.527 -0.005 0.000 0.354 355 F C 1.389 177.339 175.800 0.251 0.000 1.192 355 F CA -0.089 58.076 58.000 0.276 0.000 1.173 355 F CB 1.186 40.265 39.000 0.132 0.000 1.402 355 F HN 0.553 nan 8.300 nan 0.000 0.595 356 G N 1.638 110.572 108.800 0.223 0.000 2.508 356 G HA2 0.082 4.040 3.960 -0.004 0.000 0.278 356 G HA3 0.082 4.040 3.960 -0.004 0.000 0.278 356 G C 0.744 175.517 174.900 -0.212 0.000 1.389 356 G CA -0.258 44.581 45.100 -0.436 0.000 1.050 356 G HN 0.528 nan 8.290 nan 0.000 0.522 357 E N -0.763 119.168 120.200 -0.449 0.000 2.106 357 E HA -0.071 4.277 4.350 -0.004 0.000 0.192 357 E C 1.889 178.475 176.600 -0.024 0.000 0.984 357 E CA 1.740 58.078 56.400 -0.105 0.000 0.806 357 E CB 0.103 29.706 29.700 -0.163 0.000 0.750 357 E HN 0.473 nan 8.360 nan 0.000 0.458 358 N N -1.384 117.299 118.700 -0.029 0.000 2.503 358 N HA 0.137 4.874 4.740 -0.004 0.000 0.210 358 N C -0.361 175.130 175.510 -0.031 0.000 1.077 358 N CA 0.236 53.284 53.050 -0.003 0.000 0.855 358 N CB 0.974 39.469 38.487 0.012 0.000 1.323 358 N HN -0.102 nan 8.380 nan 0.000 0.452 359 S N 0.278 115.960 115.700 -0.031 0.000 2.599 359 S HA 0.483 4.950 4.470 -0.004 0.000 0.287 359 S C -0.333 174.097 174.600 -0.283 0.000 1.105 359 S CA -0.636 57.402 58.200 -0.271 0.000 0.899 359 S CB 3.033 65.842 63.200 -0.652 0.000 1.100 359 S HN -0.178 nan 8.310 nan 0.000 0.482 360 V N 1.992 121.685 119.914 -0.369 0.000 2.461 360 V HA 0.338 4.455 4.120 -0.004 0.000 0.275 360 V C -1.014 174.839 176.094 -0.402 0.000 1.047 360 V CA -0.104 62.010 62.300 -0.310 0.000 0.955 360 V CB -0.025 31.553 31.823 -0.409 0.000 0.988 360 V HN 0.797 nan 8.190 nan 0.000 0.471 361 W N 2.639 123.998 121.300 0.098 0.000 2.761 361 W HA 0.794 5.451 4.660 -0.005 0.000 0.340 361 W C -0.035 176.645 176.519 0.268 0.000 1.072 361 W CA -0.450 57.008 57.345 0.189 0.000 1.215 361 W CB 1.983 31.584 29.460 0.235 0.000 1.420 361 W HN 0.678 nan 8.180 nan 0.000 0.519 362 A N 1.425 124.538 122.820 0.488 0.000 2.469 362 A HA 0.820 5.138 4.320 -0.004 0.000 0.299 362 A C -1.694 176.142 177.584 0.421 0.000 1.098 362 A CA -0.698 51.561 52.037 0.370 0.000 0.737 362 A CB 1.647 20.764 19.000 0.196 0.000 1.312 362 A HN 0.794 nan 8.150 nan 0.000 0.414 363 C N 3.341 122.839 119.300 0.331 0.000 2.516 363 C HA 0.688 5.145 4.460 -0.004 0.000 0.338 363 C C -1.176 174.034 174.990 0.367 0.000 1.132 363 C CA -0.758 58.471 59.018 0.351 0.000 1.310 363 C CB 0.418 28.396 27.740 0.396 0.000 1.898 363 C HN 0.789 nan 8.230 nan 0.000 0.452 364 M N 5.159 124.927 119.600 0.279 0.000 2.264 364 M HA 0.338 4.815 4.480 -0.004 0.000 0.352 364 M C 0.193 176.466 176.300 -0.046 0.000 1.173 364 M CA -0.306 55.083 55.300 0.148 0.000 1.075 364 M CB 0.903 33.547 32.600 0.073 0.000 1.621 364 M HN 0.763 nan 8.290 nan 0.000 0.457 365 N N 2.333 120.805 118.700 -0.381 0.000 2.458 365 N HA 0.015 4.753 4.740 -0.004 0.000 0.258 365 N C 0.433 175.698 175.510 -0.409 0.000 1.219 365 N CA 0.465 52.969 53.050 -0.909 0.000 0.902 365 N CB 0.897 38.947 38.487 -0.728 0.000 1.076 365 N HN 0.514 nan 8.380 nan 0.000 0.455 366 K N 2.103 122.283 120.400 -0.366 0.000 2.439 366 K HA 0.036 4.354 4.320 -0.004 0.000 0.197 366 K C 0.871 177.388 176.600 -0.138 0.000 1.041 366 K CA 0.688 56.871 56.287 -0.174 0.000 0.970 366 K CB 0.184 32.615 32.500 -0.114 0.000 0.773 366 K HN 0.816 nan 8.250 nan 0.000 0.479 367 G N 2.328 111.022 108.800 -0.175 0.000 2.229 367 G HA2 -0.175 3.783 3.960 -0.004 0.000 0.189 367 G HA3 -0.175 3.783 3.960 -0.004 0.000 0.189 367 G C 0.146 174.991 174.900 -0.092 0.000 1.000 367 G CA 0.271 45.303 45.100 -0.113 0.000 0.663 367 G HN 0.433 nan 8.290 nan 0.000 0.493 368 D N -0.630 119.707 120.400 -0.106 0.000 2.556 368 D HA 0.427 5.065 4.640 -0.004 0.000 0.237 368 D C 1.514 177.786 176.300 -0.046 0.000 1.296 368 D CA 0.534 54.498 54.000 -0.060 0.000 0.807 368 D CB -0.262 40.515 40.800 -0.039 0.000 1.084 368 D HN 1.526 nan 8.370 nan 0.000 0.510 369 G N 0.479 109.219 108.800 -0.099 0.000 2.143 369 G HA2 -0.243 3.714 3.960 -0.004 0.000 0.249 369 G HA3 -0.243 3.714 3.960 -0.004 0.000 0.249 369 G C 0.405 175.346 174.900 0.067 0.000 0.981 369 G CA 0.589 45.680 45.100 -0.015 0.000 0.665 369 G HN 0.859 nan 8.290 nan 0.000 0.528 370 T N -2.056 112.469 114.554 -0.049 0.000 2.948 370 T HA 0.821 5.169 4.350 -0.004 0.000 0.285 370 T C -0.385 174.266 174.700 -0.082 0.000 1.019 370 T CA -0.917 61.237 62.100 0.091 0.000 1.013 370 T CB 2.411 71.309 68.868 0.050 0.000 1.117 370 T HN 0.429 nan 8.240 nan 0.000 0.533 371 F N -0.871 119.079 119.950 -0.001 0.000 2.588 371 F HA 0.661 5.186 4.527 -0.004 0.000 0.314 371 F C 1.042 176.852 175.800 0.017 0.000 1.069 371 F CA -0.871 57.133 58.000 0.007 0.000 0.931 371 F CB 2.168 41.167 39.000 -0.001 0.000 1.260 371 F HN 1.015 nan 8.300 nan 0.000 0.465 372 G N 0.865 109.773 108.800 0.179 0.000 2.516 372 G HA2 0.510 4.467 3.960 -0.004 0.000 0.276 372 G HA3 0.510 4.467 3.960 -0.004 0.000 0.276 372 G C -2.600 172.392 174.900 0.154 0.000 1.390 372 G CA -1.071 44.107 45.100 0.129 0.000 1.050 372 G HN 0.363 nan 8.290 nan 0.000 0.519 373 P HA 0.271 nan 4.420 nan 0.000 0.276 373 P C -0.312 177.079 177.300 0.151 0.000 1.252 373 P CA -0.580 62.583 63.100 0.106 0.000 0.802 373 P CB 1.310 33.057 31.700 0.080 0.000 1.035 374 I N 1.301 121.947 120.570 0.126 0.000 2.648 374 I HA 0.019 4.186 4.170 -0.004 0.000 0.284 374 I C 0.552 176.842 176.117 0.289 0.000 1.153 374 I CA 0.192 61.603 61.300 0.187 0.000 1.426 374 I CB -0.012 37.954 38.000 -0.057 0.000 1.381 374 I HN 0.225 nan 8.210 nan 0.000 0.571 375 M N 6.825 126.659 119.600 0.390 0.000 2.259 375 M HA 0.456 4.933 4.480 -0.004 0.000 0.304 375 M C -0.757 175.719 176.300 0.295 0.000 1.019 375 M CA -0.876 54.611 55.300 0.312 0.000 0.922 375 M CB 1.569 34.274 32.600 0.176 0.000 1.600 375 M HN 0.373 nan 8.290 nan 0.000 0.433 376 K N 3.179 123.601 120.400 0.036 0.000 2.379 376 K HA 0.287 4.605 4.320 -0.004 0.000 0.284 376 K C -0.104 176.297 176.600 -0.332 0.000 1.044 376 K CA -0.096 55.828 56.287 -0.606 0.000 0.974 376 K CB 0.903 32.942 32.500 -0.769 0.000 0.962 376 K HN 0.925 nan 8.250 nan 0.000 0.474 377 L N 4.422 125.430 121.223 -0.358 0.000 2.189 377 L HA 0.280 4.617 4.340 -0.004 0.000 0.199 377 L C 1.006 177.745 176.870 -0.218 0.000 1.074 377 L CA 0.420 55.135 54.840 -0.208 0.000 0.783 377 L CB 0.186 42.144 42.059 -0.168 0.000 0.955 377 L HN 0.641 nan 8.230 nan 0.000 0.460 378 I N -1.505 118.894 120.570 -0.284 0.000 2.842 378 I HA 0.134 4.301 4.170 -0.004 0.000 0.296 378 I C -1.677 174.293 176.117 -0.244 0.000 1.538 378 I CA -0.604 60.568 61.300 -0.215 0.000 0.994 378 I CB 2.500 40.413 38.000 -0.145 0.000 1.372 378 I HN -0.105 nan 8.210 nan 0.000 0.478 379 D N 5.420 125.713 120.400 -0.179 0.000 2.639 379 D HA 0.386 5.024 4.640 -0.004 0.000 0.233 379 D C -1.087 175.152 176.300 -0.102 0.000 1.161 379 D CA 0.375 54.287 54.000 -0.147 0.000 1.003 379 D CB 0.249 40.984 40.800 -0.108 0.000 1.034 379 D HN 0.364 nan 8.370 nan 0.000 0.514 380 D N -0.065 120.258 120.400 -0.127 0.000 2.694 380 D HA 0.188 4.825 4.640 -0.004 0.000 0.260 380 D C 0.129 176.272 176.300 -0.262 0.000 1.250 380 D CA -0.494 53.427 54.000 -0.132 0.000 0.763 380 D CB 1.100 41.834 40.800 -0.110 0.000 1.311 380 D HN 0.003 nan 8.370 nan 0.000 0.420 381 M N -0.245 119.005 119.600 -0.582 0.000 2.537 381 M HA -0.192 4.285 4.480 -0.004 0.000 0.205 381 M C -0.499 175.490 176.300 -0.519 0.000 0.450 381 M CA 1.039 55.569 55.300 -1.283 0.000 0.553 381 M CB -2.244 29.890 32.600 -0.778 0.000 2.046 381 M HN 0.535 nan 8.290 nan 0.000 0.797 382 T N -4.893 109.545 114.554 -0.194 0.000 2.907 382 T HA 0.612 4.960 4.350 -0.004 0.000 0.290 382 T C 0.917 175.727 174.700 0.183 0.000 1.066 382 T CA -0.703 61.438 62.100 0.069 0.000 1.012 382 T CB 2.130 71.021 68.868 0.039 0.000 1.184 382 T HN -0.074 nan 8.240 nan 0.000 0.522 383 V N 1.417 121.426 119.914 0.158 0.000 2.250 383 V HA -0.235 3.882 4.120 -0.004 0.000 0.250 383 V C 3.055 179.208 176.094 0.099 0.000 1.060 383 V CA 2.809 65.181 62.300 0.121 0.000 1.030 383 V CB -1.315 30.558 31.823 0.083 0.000 0.643 383 V HN 1.120 nan 8.190 nan 0.000 0.445 384 S N -0.792 114.953 115.700 0.076 0.000 2.481 384 S HA -0.087 4.380 4.470 -0.004 0.000 0.231 384 S C 1.469 176.109 174.600 0.067 0.000 0.996 384 S CA 0.707 58.937 58.200 0.050 0.000 0.942 384 S CB -0.221 62.994 63.200 0.026 0.000 0.768 384 S HN 0.562 nan 8.310 nan 0.000 0.520 385 K N 0.960 121.432 120.400 0.120 0.000 2.437 385 K HA 0.303 4.620 4.320 -0.004 0.000 0.205 385 K C 1.030 177.758 176.600 0.214 0.000 1.026 385 K CA 0.453 56.834 56.287 0.158 0.000 1.153 385 K CB 0.086 32.690 32.500 0.173 0.000 0.863 385 K HN 0.551 nan 8.250 nan 0.000 0.502 386 G N 1.128 110.015 108.800 0.145 0.000 2.132 386 G HA2 -0.210 3.748 3.960 -0.004 0.000 0.234 386 G HA3 -0.210 3.748 3.960 -0.004 0.000 0.234 386 G C -0.774 174.105 174.900 -0.036 0.000 0.989 386 G CA -0.392 44.721 45.100 0.021 0.000 0.676 386 G HN 0.236 nan 8.290 nan 0.000 0.522 387 W N 1.382 122.654 121.300 -0.047 0.000 2.314 387 W HA 0.631 5.288 4.660 -0.004 0.000 0.310 387 W C 0.806 177.293 176.519 -0.053 0.000 1.075 387 W CA 0.065 57.382 57.345 -0.048 0.000 1.253 387 W CB 1.228 30.668 29.460 -0.033 0.000 1.238 387 W HN 0.448 nan 8.180 nan 0.000 0.440 388 T N -0.289 114.315 114.554 0.084 0.000 2.932 388 T HA 0.384 4.732 4.350 -0.004 0.000 0.289 388 T C 0.518 175.231 174.700 0.022 0.000 1.039 388 T CA -0.812 61.301 62.100 0.021 0.000 1.024 388 T CB 1.603 70.443 68.868 -0.046 0.000 1.090 388 T HN 0.157 nan 8.240 nan 0.000 0.496 389 L N 0.831 122.053 121.223 -0.003 0.000 2.131 389 L HA 0.003 4.341 4.340 -0.004 0.000 0.210 389 L C 2.703 179.576 176.870 0.005 0.000 1.092 389 L CA 1.707 56.547 54.840 -0.001 0.000 0.759 389 L CB -0.873 41.175 42.059 -0.018 0.000 0.903 389 L HN 0.697 nan 8.230 nan 0.000 0.435 390 Q N -0.742 119.050 119.800 -0.013 0.000 2.230 390 Q HA -0.088 4.249 4.340 -0.004 0.000 0.202 390 Q C 1.599 177.601 176.000 0.003 0.000 0.963 390 Q CA 1.181 56.981 55.803 -0.006 0.000 0.866 390 Q CB 0.039 28.762 28.738 -0.025 0.000 0.931 390 Q HN 0.376 nan 8.270 nan 0.000 0.452 391 K N -0.601 119.772 120.400 -0.046 0.000 2.438 391 K HA 0.171 4.489 4.320 -0.004 0.000 0.206 391 K C -0.151 176.461 176.600 0.020 0.000 1.081 391 K CA 0.370 56.619 56.287 -0.063 0.000 1.053 391 K CB 1.349 33.600 32.500 -0.413 0.000 0.908 391 K HN 0.175 nan 8.250 nan 0.000 0.556 392 T N -2.523 112.056 114.554 0.041 0.000 2.896 392 T HA 0.590 4.937 4.350 -0.004 0.000 0.297 392 T C -0.778 174.008 174.700 0.144 0.000 1.108 392 T CA -0.777 61.388 62.100 0.107 0.000 1.004 392 T CB 2.086 71.028 68.868 0.123 0.000 1.159 392 T HN -0.222 nan 8.240 nan 0.000 0.499 393 V N 1.633 121.674 119.914 0.212 0.000 2.588 393 V HA 0.676 4.793 4.120 -0.004 0.000 0.304 393 V C -0.323 175.809 176.094 0.064 0.000 1.042 393 V CA -0.892 61.438 62.300 0.049 0.000 0.877 393 V CB 1.758 33.546 31.823 -0.058 0.000 0.996 393 V HN 0.905 nan 8.190 nan 0.000 0.425 394 R N 3.321 123.678 120.500 -0.239 0.000 2.561 394 R HA 0.723 5.060 4.340 -0.004 0.000 0.297 394 R C -1.880 174.190 176.300 -0.383 0.000 0.969 394 R CA -0.649 55.263 56.100 -0.314 0.000 0.879 394 R CB 2.338 32.232 30.300 -0.677 0.000 1.178 394 R HN 0.636 nan 8.270 nan 0.000 0.445 395 Y N 0.039 120.347 120.300 0.013 0.000 2.545 395 Y HA 0.571 5.120 4.550 -0.003 0.000 0.348 395 Y C -0.029 175.801 175.900 -0.116 0.000 1.002 395 Y CA -1.081 56.922 58.100 -0.161 0.000 1.039 395 Y CB 2.121 40.547 38.460 -0.057 0.000 1.271 395 Y HN 0.659 nan 8.280 nan 0.000 0.467 396 A N 1.529 124.237 122.820 -0.186 0.000 2.327 396 A HA 0.878 5.195 4.320 -0.004 0.000 0.283 396 A C -0.610 176.955 177.584 -0.031 0.000 1.127 396 A CA 0.213 52.234 52.037 -0.027 0.000 0.810 396 A CB 0.017 18.988 19.000 -0.047 0.000 1.066 396 A HN 1.060 nan 8.150 nan 0.000 0.492 397 A N 2.444 125.271 122.820 0.011 0.000 2.577 397 A HA 0.594 4.911 4.320 -0.004 0.000 0.297 397 A C -0.950 176.631 177.584 -0.005 0.000 1.060 397 A CA -0.861 51.161 52.037 -0.024 0.000 0.697 397 A CB 0.762 19.740 19.000 -0.037 0.000 1.281 397 A HN 0.804 nan 8.150 nan 0.000 0.402 398 N N 1.998 120.687 118.700 -0.020 0.000 2.482 398 N HA 0.370 5.108 4.740 -0.004 0.000 0.242 398 N C 0.932 176.404 175.510 -0.063 0.000 1.100 398 N CA -0.340 52.705 53.050 -0.009 0.000 0.946 398 N CB 0.532 39.019 38.487 0.000 0.000 1.227 398 N HN 0.610 nan 8.380 nan 0.000 0.508 399 L N 1.073 122.235 121.223 -0.101 0.000 2.141 399 L HA -0.046 4.291 4.340 -0.004 0.000 0.209 399 L C -0.160 176.286 176.870 -0.707 0.000 1.094 399 L CA 1.132 55.757 54.840 -0.360 0.000 0.763 399 L CB -0.272 41.564 42.059 -0.371 0.000 0.908 399 L HN 0.516 nan 8.230 nan 0.000 0.437 400 Y N -2.859 117.457 120.300 0.026 0.000 2.829 400 Y HA 0.496 5.042 4.550 -0.007 0.000 0.322 400 Y C -0.235 175.672 175.900 0.011 0.000 1.357 400 Y CA -1.480 56.624 58.100 0.008 0.000 1.081 400 Y CB 0.565 39.024 38.460 -0.002 0.000 1.339 400 Y HN -0.389 nan 8.280 nan 0.000 0.469 401 L N 0.000 121.335 121.223 0.187 0.000 2.949 401 L HA 0.000 4.337 4.340 -0.004 0.000 0.249 401 L CA 0.000 54.899 54.840 0.099 0.000 0.813 401 L CB 0.000 42.100 42.059 0.069 0.000 0.961 401 L HN 0.000 nan 8.230 nan 0.000 0.502