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 3cb5_1_B DATA FIRST_RESID 0 DATA SEQUENCE AXAEYEIDEI TFHKRLGILL TSWKNEEDGK TLFQDCDSIL VTVGAHDDTN DATA SEQUENCE PYQKSTALHT WLLGYEFPST LILLEKHRIT ILTSVNKANX LTKLAETKGA DATA SEQUENCE AADVNILKRT KDAEENKKLF EKIIEYIRAT NKKVGVFPKD KTQGKFINEW DATA SEQUENCE DSIFEPVKSE FNLVDASLGL AKCLAIKDEQ ELANIKGASR VSVAVXSKYF DATA SEQUENCE VDELSTYIDQ GKKITHSKFS DQXESLIDNE AFFQTKSLKL GDIDLDQLEW DATA SEQUENCE CYTPIIQSGG SYDLKPSAIT DDRNLHGDVV LCSLGFRYKS YCSNVGRTYL DATA SEQUENCE FDPDSEQQKN YSFLVALQKK LFEYCRDGAV IGDIYTKILG LIRAKRPDLE DATA SEQUENCE PNFVRNLGAG IGIEFRESSL LVNAKNPRVL QAGXTLNLSI GFGNLINPHP DATA SEQUENCE XXXQSKEYAL LLIDTIQITR SDPIVFTDSP KAQGDISYFF GED 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.551 177.584 -0.055 0.000 1.274 0 A CA 0.000 52.016 52.037 -0.035 0.000 0.836 0 A CB 0.000 18.981 19.000 -0.032 0.000 0.831 3 E N 0.904 120.841 120.200 -0.439 0.000 2.130 3 E HA 0.599 4.949 4.350 -0.001 0.000 0.284 3 E C -1.586 174.786 176.600 -0.380 0.000 1.018 3 E CA 0.103 56.323 56.400 -0.300 0.000 0.817 3 E CB 0.155 29.771 29.700 -0.139 0.000 1.078 3 E HN 0.396 nan 8.360 nan 0.000 0.396 4 Y N 2.619 122.819 120.300 -0.165 0.000 2.334 4 Y HA 0.435 4.984 4.550 -0.001 0.000 0.328 4 Y C 0.161 176.025 175.900 -0.059 0.000 1.130 4 Y CA -0.952 56.991 58.100 -0.261 0.000 1.163 4 Y CB 1.434 39.450 38.460 -0.739 0.000 1.207 4 Y HN 0.413 nan 8.280 nan 0.000 0.471 5 E N 2.993 123.357 120.200 0.273 0.000 2.267 5 E HA 0.348 4.697 4.350 -0.001 0.000 0.248 5 E C -1.589 175.192 176.600 0.301 0.000 0.899 5 E CA -0.436 56.091 56.400 0.213 0.000 0.764 5 E CB 0.294 30.080 29.700 0.144 0.000 1.227 5 E HN 0.429 nan 8.360 nan 0.000 0.421 6 I N 3.361 124.073 120.570 0.236 0.000 2.452 6 I HA 0.116 4.285 4.170 -0.001 0.000 0.287 6 I C 0.278 176.463 176.117 0.113 0.000 1.079 6 I CA -0.166 61.264 61.300 0.216 0.000 1.387 6 I CB 0.649 38.720 38.000 0.119 0.000 1.404 6 I HN 0.576 nan 8.210 nan 0.000 0.522 7 D N 6.532 126.995 120.400 0.105 0.000 2.468 7 D HA 0.060 4.699 4.640 -0.001 0.000 0.218 7 D C 1.382 177.726 176.300 0.072 0.000 1.155 7 D CA -0.243 53.797 54.000 0.067 0.000 0.924 7 D CB 0.694 41.521 40.800 0.045 0.000 1.029 7 D HN 0.621 nan 8.370 nan 0.000 0.515 8 E N 3.346 123.585 120.200 0.064 0.000 2.160 8 E HA -0.198 4.151 4.350 -0.001 0.000 0.195 8 E C 1.695 178.421 176.600 0.210 0.000 0.991 8 E CA 0.736 57.200 56.400 0.108 0.000 0.810 8 E CB -0.067 29.689 29.700 0.092 0.000 0.742 8 E HN 0.498 nan 8.360 nan 0.000 0.466 9 I N 1.495 122.141 120.570 0.126 0.000 2.113 9 I HA -0.237 3.933 4.170 -0.001 0.000 0.238 9 I C 2.411 178.575 176.117 0.079 0.000 1.070 9 I CA 1.736 63.099 61.300 0.104 0.000 1.332 9 I CB -0.627 37.402 38.000 0.048 0.000 1.044 9 I HN 0.172 nan 8.210 nan 0.000 0.402 10 T N 0.956 115.528 114.554 0.031 0.000 2.833 10 T HA -0.198 4.152 4.350 -0.001 0.000 0.269 10 T C 1.594 176.227 174.700 -0.112 0.000 1.054 10 T CA 1.329 63.395 62.100 -0.056 0.000 1.135 10 T CB -0.402 68.423 68.868 -0.073 0.000 0.869 10 T HN 0.293 nan 8.240 nan 0.000 0.466 11 F N 1.491 121.334 119.950 -0.178 0.000 2.051 11 F HA -0.138 4.388 4.527 -0.001 0.000 0.296 11 F C 2.278 177.907 175.800 -0.286 0.000 1.122 11 F CA 1.622 59.462 58.000 -0.268 0.000 1.201 11 F CB -0.460 38.368 39.000 -0.286 0.000 0.978 11 F HN 0.234 nan 8.300 nan 0.000 0.472 12 H N -0.370 118.743 119.070 0.071 0.000 2.457 12 H HA -0.096 4.460 4.556 -0.001 0.000 0.294 12 H C 2.187 177.437 175.328 -0.131 0.000 1.064 12 H CA 1.618 57.644 56.048 -0.036 0.000 1.330 12 H CB -0.119 29.710 29.762 0.112 0.000 1.395 12 H HN 0.269 nan 8.280 nan 0.000 0.541 13 K N 0.912 121.291 120.400 -0.035 0.000 2.057 13 K HA -0.108 4.211 4.320 -0.001 0.000 0.206 13 K C 1.886 178.389 176.600 -0.162 0.000 1.050 13 K CA 1.183 57.426 56.287 -0.073 0.000 0.935 13 K CB 0.185 32.641 32.500 -0.073 0.000 0.715 13 K HN 0.224 nan 8.250 nan 0.000 0.439 14 R N 0.024 120.302 120.500 -0.369 0.000 2.090 14 R HA -0.003 4.337 4.340 -0.001 0.000 0.219 14 R C 2.274 178.353 176.300 -0.367 0.000 1.100 14 R CA 0.498 56.225 56.100 -0.622 0.000 0.991 14 R CB -0.297 29.100 30.300 -1.506 0.000 0.893 14 R HN 0.123 nan 8.270 nan 0.000 0.443 15 L N 0.778 121.728 121.223 -0.455 0.000 2.129 15 L HA -0.081 4.258 4.340 -0.001 0.000 0.212 15 L C 1.892 178.723 176.870 -0.064 0.000 1.087 15 L CA 1.948 56.605 54.840 -0.305 0.000 0.757 15 L CB -0.803 40.883 42.059 -0.622 0.000 0.896 15 L HN 0.209 nan 8.230 nan 0.000 0.434 16 G N -0.945 107.825 108.800 -0.049 0.000 2.408 16 G HA2 -0.140 3.820 3.960 -0.001 0.000 0.215 16 G HA3 -0.140 3.820 3.960 -0.001 0.000 0.215 16 G C 1.627 176.575 174.900 0.081 0.000 1.156 16 G CA 0.722 45.839 45.100 0.029 0.000 0.793 16 G HN 0.436 nan 8.290 nan 0.000 0.535 17 I N 0.068 120.701 120.570 0.105 0.000 2.127 17 I HA -0.157 4.012 4.170 -0.001 0.000 0.241 17 I C 2.594 178.850 176.117 0.232 0.000 1.075 17 I CA 0.749 62.157 61.300 0.182 0.000 1.334 17 I CB -0.219 37.944 38.000 0.273 0.000 1.040 17 I HN 0.167 nan 8.210 nan 0.000 0.405 18 L N 0.652 122.056 121.223 0.303 0.000 1.989 18 L HA -0.217 4.122 4.340 -0.001 0.000 0.211 18 L C 2.332 179.355 176.870 0.254 0.000 1.071 18 L CA 1.879 56.906 54.840 0.312 0.000 0.749 18 L CB -0.499 41.765 42.059 0.342 0.000 0.890 18 L HN 0.140 nan 8.230 nan 0.000 0.431 19 L N -1.311 120.044 121.223 0.220 0.000 2.131 19 L HA -0.221 4.119 4.340 -0.001 0.000 0.210 19 L C 2.323 179.273 176.870 0.134 0.000 1.092 19 L CA 1.698 56.666 54.840 0.213 0.000 0.759 19 L CB -0.946 41.193 42.059 0.134 0.000 0.903 19 L HN 0.352 nan 8.230 nan 0.000 0.435 20 T N -1.446 113.182 114.554 0.123 0.000 2.777 20 T HA -0.170 4.180 4.350 -0.001 0.000 0.266 20 T C 2.143 176.912 174.700 0.115 0.000 1.040 20 T CA 1.631 63.787 62.100 0.095 0.000 1.141 20 T CB 0.000 68.924 68.868 0.093 0.000 0.868 20 T HN 0.283 nan 8.240 nan 0.000 0.444 21 S N -0.138 115.666 115.700 0.173 0.000 2.345 21 S HA -0.135 4.334 4.470 -0.001 0.000 0.220 21 S C 1.788 176.512 174.600 0.206 0.000 1.031 21 S CA 1.155 59.497 58.200 0.236 0.000 0.996 21 S CB -0.614 62.801 63.200 0.359 0.000 0.882 21 S HN 0.609 nan 8.310 nan 0.000 0.445 22 W N 2.280 123.379 121.300 -0.335 0.000 2.277 22 W HA -0.176 4.484 4.660 -0.001 0.000 0.327 22 W C 2.136 178.440 176.519 -0.358 0.000 1.284 22 W CA 1.968 58.747 57.345 -0.943 0.000 1.277 22 W CB -0.944 27.950 29.460 -0.944 0.000 1.141 22 W HN 0.375 nan 8.180 nan 0.000 0.482 23 K N -0.309 120.081 120.400 -0.017 0.000 2.365 23 K HA -0.117 4.203 4.320 -0.001 0.000 0.199 23 K C 1.061 177.655 176.600 -0.010 0.000 1.045 23 K CA 0.194 56.428 56.287 -0.089 0.000 0.962 23 K CB -0.453 31.997 32.500 -0.085 0.000 0.759 23 K HN 0.088 nan 8.250 nan 0.000 0.469 24 N N 1.679 120.411 118.700 0.053 0.000 2.395 24 N HA -0.102 4.637 4.740 -0.001 0.000 0.246 24 N C 0.342 175.896 175.510 0.073 0.000 1.246 24 N CA 0.375 53.467 53.050 0.070 0.000 0.879 24 N CB 0.800 39.350 38.487 0.105 0.000 1.098 24 N HN 0.151 nan 8.380 nan 0.000 0.444 25 E N 1.892 122.126 120.200 0.056 0.000 2.028 25 E HA -0.220 4.129 4.350 -0.001 0.000 0.191 25 E C 1.336 177.983 176.600 0.078 0.000 0.988 25 E CA 1.090 57.521 56.400 0.052 0.000 0.799 25 E CB 0.022 29.743 29.700 0.035 0.000 0.755 25 E HN 0.731 nan 8.360 nan 0.000 0.447 26 E N 0.841 121.090 120.200 0.082 0.000 2.072 26 E HA -0.195 4.155 4.350 -0.001 0.000 0.190 26 E C 1.455 178.132 176.600 0.129 0.000 0.982 26 E CA 1.110 57.563 56.400 0.089 0.000 0.803 26 E CB 0.155 29.897 29.700 0.070 0.000 0.755 26 E HN 0.080 nan 8.360 nan 0.000 0.453 27 D N -0.104 120.395 120.400 0.165 0.000 2.117 27 D HA -0.101 4.538 4.640 -0.001 0.000 0.197 27 D C 1.836 178.375 176.300 0.398 0.000 0.987 27 D CA 1.328 55.481 54.000 0.254 0.000 0.829 27 D CB -0.653 40.331 40.800 0.308 0.000 0.961 27 D HN 0.363 nan 8.370 nan 0.000 0.460 28 G N 0.512 109.517 108.800 0.341 0.000 2.448 28 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.219 28 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.219 28 G C 1.601 176.709 174.900 0.346 0.000 1.127 28 G CA 0.601 45.937 45.100 0.393 0.000 0.766 28 G HN 0.157 nan 8.290 nan 0.000 0.552 29 K N -0.037 120.500 120.400 0.229 0.000 2.166 29 K HA 0.054 4.373 4.320 -0.001 0.000 0.201 29 K C 2.244 178.932 176.600 0.146 0.000 1.052 29 K CA 1.330 57.715 56.287 0.163 0.000 0.969 29 K CB -0.331 32.236 32.500 0.111 0.000 0.761 29 K HN 0.230 nan 8.250 nan 0.000 0.459 30 T N 1.309 115.946 114.554 0.139 0.000 2.953 30 T HA 0.175 4.524 4.350 -0.001 0.000 0.247 30 T C 1.812 176.540 174.700 0.046 0.000 1.029 30 T CA 0.512 62.661 62.100 0.081 0.000 1.144 30 T CB 0.220 69.124 68.868 0.061 0.000 0.870 30 T HN 0.074 nan 8.240 nan 0.000 0.446 31 L N -0.807 120.443 121.223 0.044 0.000 2.354 31 L HA 0.298 4.637 4.340 -0.001 0.000 0.212 31 L C 1.339 178.025 176.870 -0.306 0.000 1.091 31 L CA 0.835 55.580 54.840 -0.158 0.000 0.828 31 L CB -0.081 41.822 42.059 -0.259 0.000 0.973 31 L HN 0.210 nan 8.230 nan 0.000 0.461 32 F N -0.468 119.495 119.950 0.022 0.000 2.678 32 F HA 0.165 4.691 4.527 -0.001 0.000 0.305 32 F C 0.888 176.727 175.800 0.066 0.000 1.090 32 F CA -0.336 57.663 58.000 -0.003 0.000 1.272 32 F CB 0.063 39.061 39.000 -0.003 0.000 1.060 32 F HN -0.014 nan 8.300 nan 0.000 0.576 33 Q N 1.068 120.984 119.800 0.194 0.000 2.435 33 Q HA -0.350 3.989 4.340 -0.001 0.000 0.286 33 Q C -0.095 176.014 176.000 0.181 0.000 1.229 33 Q CA 1.094 56.985 55.803 0.147 0.000 0.884 33 Q CB -1.622 27.173 28.738 0.095 0.000 1.245 33 Q HN 0.557 nan 8.270 nan 0.000 0.488 34 D N -1.996 118.548 120.400 0.240 0.000 3.041 34 D HA -0.188 4.451 4.640 -0.001 0.000 0.220 34 D C 0.041 176.478 176.300 0.228 0.000 1.157 34 D CA 1.106 55.234 54.000 0.213 0.000 0.876 34 D CB -1.366 39.518 40.800 0.140 0.000 1.107 34 D HN 0.687 nan 8.370 nan 0.000 0.422 35 C N -1.506 117.981 119.300 0.311 0.000 2.604 35 C HA 0.593 5.053 4.460 -0.001 0.000 0.396 35 C C 1.680 176.901 174.990 0.385 0.000 1.282 35 C CA -0.460 58.747 59.018 0.314 0.000 2.292 35 C CB 1.282 29.204 27.740 0.303 0.000 2.633 35 C HN 0.169 nan 8.230 nan 0.000 0.620 36 D N 0.216 120.771 120.400 0.259 0.000 2.366 36 D HA 0.135 4.774 4.640 -0.001 0.000 0.205 36 D C 0.974 177.420 176.300 0.242 0.000 1.022 36 D CA 0.978 55.060 54.000 0.135 0.000 0.868 36 D CB 0.385 41.219 40.800 0.057 0.000 0.953 36 D HN 0.892 nan 8.370 nan 0.000 0.514 37 S N -0.653 115.270 115.700 0.373 0.000 2.618 37 S HA 0.701 5.170 4.470 -0.001 0.000 0.277 37 S C -0.906 173.873 174.600 0.298 0.000 1.138 37 S CA -0.906 57.531 58.200 0.394 0.000 0.844 37 S CB 1.945 65.263 63.200 0.195 0.000 1.127 37 S HN -0.029 nan 8.310 nan 0.000 0.474 38 I N 1.821 122.499 120.570 0.180 0.000 2.468 38 I HA 0.383 4.552 4.170 -0.001 0.000 0.285 38 I C -1.536 174.520 176.117 -0.102 0.000 1.039 38 I CA -0.711 60.550 61.300 -0.064 0.000 1.074 38 I CB 1.864 39.718 38.000 -0.244 0.000 1.228 38 I HN 0.603 nan 8.210 nan 0.000 0.436 39 L N 8.881 130.000 121.223 -0.174 0.000 2.280 39 L HA 0.627 4.967 4.340 -0.001 0.000 0.287 39 L C -0.950 175.761 176.870 -0.265 0.000 1.023 39 L CA -0.253 54.469 54.840 -0.198 0.000 0.819 39 L CB 1.416 43.361 42.059 -0.190 0.000 1.212 39 L HN 0.329 nan 8.230 nan 0.000 0.420 40 V N 3.847 123.643 119.914 -0.196 0.000 2.407 40 V HA 0.556 4.675 4.120 -0.001 0.000 0.291 40 V C -0.020 176.042 176.094 -0.053 0.000 1.018 40 V CA -0.329 61.901 62.300 -0.117 0.000 0.842 40 V CB 1.630 33.459 31.823 0.010 0.000 0.996 40 V HN 0.855 nan 8.190 nan 0.000 0.426 41 T N 1.824 116.354 114.554 -0.040 0.000 2.797 41 T HA 0.800 5.149 4.350 -0.001 0.000 0.279 41 T C -0.754 173.988 174.700 0.070 0.000 0.991 41 T CA -0.757 61.350 62.100 0.012 0.000 0.979 41 T CB 1.787 70.637 68.868 -0.031 0.000 0.943 41 T HN 0.271 nan 8.240 nan 0.000 0.444 42 V N 3.116 123.088 119.914 0.097 0.000 2.483 42 V HA 0.723 4.842 4.120 -0.001 0.000 0.297 42 V C 0.905 177.045 176.094 0.076 0.000 1.027 42 V CA -0.411 61.912 62.300 0.039 0.000 0.855 42 V CB 1.478 33.252 31.823 -0.080 0.000 0.995 42 V HN 1.222 nan 8.190 nan 0.000 0.424 43 G N 2.950 111.806 108.800 0.094 0.000 2.714 43 G HA2 0.660 4.619 3.960 -0.001 0.000 0.197 43 G HA3 0.660 4.619 3.960 -0.001 0.000 0.197 43 G C 0.229 175.174 174.900 0.075 0.000 1.449 43 G CA -0.012 45.167 45.100 0.131 0.000 1.065 43 G HN 1.021 nan 8.290 nan 0.000 0.575 44 A N -0.986 121.886 122.820 0.088 0.000 2.445 44 A HA 0.348 4.667 4.320 -0.001 0.000 0.242 44 A C 0.427 178.055 177.584 0.073 0.000 1.075 44 A CA -0.325 51.760 52.037 0.080 0.000 0.777 44 A CB -0.200 18.847 19.000 0.078 0.000 1.013 44 A HN 0.712 nan 8.150 nan 0.000 0.493 45 H N 1.134 120.208 119.070 0.006 0.000 2.929 45 H HA 0.165 4.720 4.556 -0.001 0.000 0.317 45 H C -1.271 174.056 175.328 -0.002 0.000 1.031 45 H CA 0.603 56.650 56.048 -0.002 0.000 1.466 45 H CB 0.591 30.351 29.762 -0.004 0.000 1.482 45 H HN 0.676 nan 8.280 nan 0.000 0.561 46 D N 3.689 123.726 120.400 -0.605 0.000 2.629 46 D HA 0.096 4.735 4.640 -0.001 0.000 0.250 46 D C -0.054 175.943 176.300 -0.506 0.000 1.126 46 D CA -0.585 53.179 54.000 -0.394 0.000 0.852 46 D CB 1.408 42.090 40.800 -0.197 0.000 1.335 46 D HN 0.484 nan 8.370 nan 0.000 0.518 47 D N 1.553 121.774 120.400 -0.297 0.000 2.347 47 D HA 0.007 4.646 4.640 -0.001 0.000 0.213 47 D C 1.284 177.495 176.300 -0.150 0.000 0.985 47 D CA 0.710 54.600 54.000 -0.183 0.000 0.879 47 D CB 0.547 41.316 40.800 -0.052 0.000 0.919 47 D HN 0.380 nan 8.370 nan 0.000 0.526 48 T N 0.204 114.670 114.554 -0.147 0.000 3.009 48 T HA -0.036 4.313 4.350 -0.001 0.000 0.258 48 T C 0.652 175.281 174.700 -0.119 0.000 1.063 48 T CA 0.336 62.373 62.100 -0.106 0.000 1.139 48 T CB 0.064 68.888 68.868 -0.075 0.000 0.890 48 T HN 0.167 nan 8.240 nan 0.000 0.471 49 N N 1.278 119.887 118.700 -0.152 0.000 2.790 49 N HA 0.205 4.944 4.740 -0.001 0.000 0.256 49 N C -2.551 172.824 175.510 -0.224 0.000 1.409 49 N CA -1.967 50.995 53.050 -0.148 0.000 0.799 49 N CB 1.272 39.713 38.487 -0.075 0.000 1.170 49 N HN 0.053 nan 8.380 nan 0.000 0.507 50 P HA 0.009 nan 4.420 nan 0.000 0.233 50 P C -0.750 176.271 177.300 -0.464 0.000 1.167 50 P CA 0.670 63.467 63.100 -0.505 0.000 0.770 50 P CB -0.024 31.212 31.700 -0.773 0.000 0.837 51 Y N 0.703 121.003 120.300 0.001 0.000 2.464 51 Y HA 0.509 5.058 4.550 -0.001 0.000 0.326 51 Y C 0.685 176.568 175.900 -0.029 0.000 0.969 51 Y CA -0.870 57.229 58.100 -0.002 0.000 1.270 51 Y CB 0.977 39.457 38.460 0.032 0.000 1.103 51 Y HN -0.107 nan 8.280 nan 0.000 0.491 52 Q N 1.820 121.668 119.800 0.080 0.000 2.379 52 Q HA 0.323 4.662 4.340 -0.001 0.000 0.278 52 Q C 0.304 176.267 176.000 -0.062 0.000 1.068 52 Q CA -0.995 54.811 55.803 0.006 0.000 0.816 52 Q CB 2.838 31.575 28.738 -0.002 0.000 1.387 52 Q HN 0.434 nan 8.270 nan 0.000 0.413 53 K N 0.538 120.842 120.400 -0.160 0.000 2.103 53 K HA -0.089 4.230 4.320 -0.001 0.000 0.207 53 K C 1.703 178.161 176.600 -0.238 0.000 1.048 53 K CA 1.374 57.419 56.287 -0.404 0.000 0.930 53 K CB -0.074 31.854 32.500 -0.953 0.000 0.716 53 K HN 0.471 nan 8.250 nan 0.000 0.444 54 S N 0.495 116.205 115.700 0.017 0.000 2.356 54 S HA -0.120 4.349 4.470 -0.001 0.000 0.223 54 S C 2.098 176.670 174.600 -0.047 0.000 1.032 54 S CA 2.050 60.336 58.200 0.143 0.000 1.005 54 S CB -0.451 62.818 63.200 0.115 0.000 0.867 54 S HN 0.621 nan 8.310 nan 0.000 0.449 55 T N 0.584 115.078 114.554 -0.100 0.000 2.951 55 T HA 0.182 4.531 4.350 -0.001 0.000 0.268 55 T C 1.825 176.543 174.700 0.030 0.000 1.073 55 T CA 0.919 62.951 62.100 -0.114 0.000 1.134 55 T CB -0.362 68.472 68.868 -0.056 0.000 0.884 55 T HN 0.323 nan 8.240 nan 0.000 0.479 56 A N 1.250 124.076 122.820 0.010 0.000 1.968 56 A HA 0.263 4.582 4.320 -0.001 0.000 0.217 56 A C 2.242 179.883 177.584 0.095 0.000 1.169 56 A CA 1.119 53.163 52.037 0.011 0.000 0.638 56 A CB -0.737 18.209 19.000 -0.089 0.000 0.812 56 A HN 0.470 nan 8.150 nan 0.000 0.446 57 L N -0.667 120.627 121.223 0.119 0.000 2.056 57 L HA -0.149 4.190 4.340 -0.001 0.000 0.207 57 L C 2.281 179.383 176.870 0.386 0.000 1.078 57 L CA 2.159 57.154 54.840 0.257 0.000 0.749 57 L CB -0.753 41.479 42.059 0.289 0.000 0.901 57 L HN 0.555 nan 8.230 nan 0.000 0.433 58 H N -1.402 117.779 119.070 0.184 0.000 2.319 58 H HA -0.161 4.394 4.556 -0.001 0.000 0.299 58 H C 1.921 177.381 175.328 0.220 0.000 1.092 58 H CA 1.652 57.817 56.048 0.195 0.000 1.302 58 H CB -0.049 29.847 29.762 0.223 0.000 1.373 58 H HN 0.404 nan 8.280 nan 0.000 0.497 59 T N 0.098 114.853 114.554 0.335 0.000 2.737 59 T HA -0.189 4.160 4.350 -0.001 0.000 0.265 59 T C 1.614 176.458 174.700 0.240 0.000 1.038 59 T CA 1.193 63.425 62.100 0.220 0.000 1.144 59 T CB -0.430 68.503 68.868 0.108 0.000 0.866 59 T HN 0.443 nan 8.240 nan 0.000 0.434 60 W N 1.397 122.740 121.300 0.071 0.000 2.358 60 W HA 0.064 4.723 4.660 -0.001 0.000 0.303 60 W C 1.803 178.366 176.519 0.073 0.000 1.208 60 W CA 0.795 58.183 57.345 0.072 0.000 1.274 60 W CB -0.482 29.004 29.460 0.042 0.000 1.138 60 W HN 0.161 nan 8.180 nan 0.000 0.515 61 L N -0.715 120.609 121.223 0.168 0.000 2.168 61 L HA -0.050 4.289 4.340 -0.001 0.000 0.203 61 L C 2.039 179.007 176.870 0.163 0.000 1.078 61 L CA 0.922 55.764 54.840 0.003 0.000 0.780 61 L CB -0.467 41.634 42.059 0.069 0.000 0.939 61 L HN -0.041 nan 8.230 nan 0.000 0.451 62 L N -1.653 119.677 121.223 0.179 0.000 2.638 62 L HA 0.296 4.635 4.340 -0.001 0.000 0.232 62 L C 1.479 178.493 176.870 0.239 0.000 1.099 62 L CA 0.587 55.542 54.840 0.190 0.000 0.883 62 L CB 0.202 42.315 42.059 0.091 0.000 1.136 62 L HN 0.396 nan 8.230 nan 0.000 0.492 63 G N -0.287 108.579 108.800 0.110 0.000 2.184 63 G HA2 -0.314 3.645 3.960 -0.001 0.000 0.264 63 G HA3 -0.314 3.645 3.960 -0.001 0.000 0.264 63 G C -0.073 174.551 174.900 -0.461 0.000 0.975 63 G CA 0.429 45.429 45.100 -0.166 0.000 0.642 63 G HN 0.329 nan 8.290 nan 0.000 0.536 64 Y N -0.570 119.898 120.300 0.280 0.000 2.655 64 Y HA 0.617 5.166 4.550 -0.001 0.000 0.336 64 Y C -0.004 176.122 175.900 0.377 0.000 1.154 64 Y CA -1.380 56.870 58.100 0.251 0.000 1.055 64 Y CB 0.884 39.409 38.460 0.107 0.000 1.295 64 Y HN 0.087 nan 8.280 nan 0.000 0.465 65 E N 1.301 121.766 120.200 0.442 0.000 2.174 65 E HA 0.378 4.728 4.350 -0.001 0.000 0.282 65 E C -1.674 175.168 176.600 0.403 0.000 0.992 65 E CA -0.507 56.187 56.400 0.490 0.000 0.803 65 E CB 0.966 30.826 29.700 0.266 0.000 1.090 65 E HN 0.271 nan 8.360 nan 0.000 0.396 66 F N 4.119 124.323 119.950 0.423 0.000 2.308 66 F HA 0.299 4.825 4.527 -0.001 0.000 0.370 66 F C -2.073 173.814 175.800 0.145 0.000 1.100 66 F CA -2.729 55.343 58.000 0.121 0.000 1.108 66 F CB 0.677 39.627 39.000 -0.083 0.000 1.293 66 F HN 0.235 nan 8.300 nan 0.000 0.478 67 P HA 0.067 nan 4.420 nan 0.000 0.271 67 P C 0.170 177.415 177.300 -0.091 0.000 1.233 67 P CA 0.059 63.184 63.100 0.042 0.000 0.789 67 P CB 0.535 32.246 31.700 0.019 0.000 0.951 68 S N -1.267 114.311 115.700 -0.203 0.000 3.550 68 S HA -0.112 4.357 4.470 -0.001 0.000 0.372 68 S C -0.049 173.787 174.600 -1.274 0.000 0.966 68 S CA 1.172 58.972 58.200 -0.666 0.000 1.229 68 S CB -1.968 61.007 63.200 -0.374 0.000 0.917 68 S HN 0.631 nan 8.310 nan 0.000 0.496 69 T N 1.130 115.246 114.554 -0.730 0.000 2.909 69 T HA 0.693 5.042 4.350 -0.001 0.000 0.299 69 T C -0.629 174.087 174.700 0.027 0.000 1.073 69 T CA -0.658 61.216 62.100 -0.377 0.000 0.999 69 T CB 2.070 70.907 68.868 -0.052 0.000 1.098 69 T HN 0.353 nan 8.240 nan 0.000 0.477 70 L N 2.877 124.193 121.223 0.155 0.000 2.362 70 L HA 0.762 5.101 4.340 -0.001 0.000 0.275 70 L C -1.606 175.264 176.870 -0.000 0.000 0.998 70 L CA -0.886 54.004 54.840 0.083 0.000 0.820 70 L CB 0.963 43.035 42.059 0.022 0.000 1.270 70 L HN 0.649 nan 8.230 nan 0.000 0.415 71 I N 5.526 126.080 120.570 -0.026 0.000 2.418 71 I HA 0.318 4.488 4.170 -0.001 0.000 0.287 71 I C -1.197 174.895 176.117 -0.043 0.000 1.008 71 I CA -0.631 60.659 61.300 -0.016 0.000 1.104 71 I CB 2.088 40.107 38.000 0.032 0.000 1.264 71 I HN 0.434 nan 8.210 nan 0.000 0.438 72 L N 8.119 129.338 121.223 -0.007 0.000 2.295 72 L HA 0.519 4.858 4.340 -0.001 0.000 0.281 72 L C -0.994 175.921 176.870 0.074 0.000 1.018 72 L CA -0.180 54.675 54.840 0.026 0.000 0.841 72 L CB 1.026 43.128 42.059 0.072 0.000 1.218 72 L HN 0.427 nan 8.230 nan 0.000 0.424 73 L N 5.034 126.323 121.223 0.110 0.000 2.305 73 L HA 0.482 4.822 4.340 -0.001 0.000 0.281 73 L C 0.049 177.148 176.870 0.381 0.000 1.085 73 L CA 0.139 55.113 54.840 0.222 0.000 0.813 73 L CB 0.895 43.082 42.059 0.213 0.000 1.157 73 L HN 0.608 nan 8.230 nan 0.000 0.436 74 E N 1.931 122.276 120.200 0.240 0.000 2.392 74 E HA 0.323 4.672 4.350 -0.001 0.000 0.269 74 E C -0.316 176.196 176.600 -0.146 0.000 0.924 74 E CA -0.898 55.545 56.400 0.072 0.000 0.784 74 E CB 1.804 31.549 29.700 0.074 0.000 1.292 74 E HN 0.357 nan 8.360 nan 0.000 0.447 75 K N 0.251 120.371 120.400 -0.468 0.000 2.365 75 K HA -0.118 4.201 4.320 -0.001 0.000 0.199 75 K C 1.564 178.074 176.600 -0.149 0.000 1.045 75 K CA 1.388 57.331 56.287 -0.573 0.000 0.962 75 K CB -0.125 31.915 32.500 -0.767 0.000 0.759 75 K HN 0.546 nan 8.250 nan 0.000 0.469 76 H N -1.774 117.166 119.070 -0.216 0.000 2.639 76 H HA 0.268 4.823 4.556 -0.001 0.000 0.267 76 H C 0.627 175.913 175.328 -0.071 0.000 0.958 76 H CA -0.564 55.408 56.048 -0.126 0.000 1.221 76 H CB 0.514 30.197 29.762 -0.131 0.000 1.446 76 H HN -0.156 nan 8.280 nan 0.000 0.512 77 R N 0.650 120.809 120.500 -0.570 0.000 2.680 77 R HA 0.430 4.769 4.340 -0.001 0.000 0.269 77 R C -2.121 174.040 176.300 -0.231 0.000 1.026 77 R CA -0.952 54.860 56.100 -0.481 0.000 0.889 77 R CB 2.397 32.212 30.300 -0.810 0.000 1.241 77 R HN 0.300 nan 8.270 nan 0.000 0.463 78 I N 2.764 123.273 120.570 -0.102 0.000 2.418 78 I HA 0.366 4.536 4.170 -0.001 0.000 0.287 78 I C -1.104 175.006 176.117 -0.012 0.000 1.008 78 I CA -0.412 60.883 61.300 -0.008 0.000 1.104 78 I CB 2.147 40.188 38.000 0.067 0.000 1.264 78 I HN 0.611 nan 8.210 nan 0.000 0.438 79 T N 8.229 122.787 114.554 0.006 0.000 2.767 79 T HA 0.534 4.883 4.350 -0.001 0.000 0.284 79 T C -0.151 174.559 174.700 0.017 0.000 0.973 79 T CA -0.194 61.928 62.100 0.036 0.000 0.996 79 T CB 0.779 69.729 68.868 0.138 0.000 0.927 79 T HN 0.341 nan 8.240 nan 0.000 0.456 80 I N 4.193 124.755 120.570 -0.014 0.000 2.382 80 I HA 0.342 4.511 4.170 -0.001 0.000 0.285 80 I C -0.845 175.248 176.117 -0.040 0.000 1.007 80 I CA -0.933 60.334 61.300 -0.056 0.000 1.142 80 I CB 1.486 39.403 38.000 -0.139 0.000 1.289 80 I HN 0.306 nan 8.210 nan 0.000 0.453 81 L N 7.160 128.377 121.223 -0.010 0.000 2.272 81 L HA 0.740 5.079 4.340 -0.001 0.000 0.289 81 L C -0.179 176.715 176.870 0.039 0.000 1.032 81 L CA 0.752 55.602 54.840 0.017 0.000 0.810 81 L CB 1.340 43.420 42.059 0.035 0.000 1.205 81 L HN 0.713 nan 8.230 nan 0.000 0.422 82 T N 1.512 116.069 114.554 0.006 0.000 2.663 82 T HA 0.405 4.754 4.350 -0.001 0.000 0.302 82 T C -1.007 173.685 174.700 -0.013 0.000 1.523 82 T CA 0.087 62.172 62.100 -0.025 0.000 1.011 82 T CB 0.616 69.454 68.868 -0.050 0.000 1.841 82 T HN 0.808 nan 8.240 nan 0.000 0.462 83 S N 0.742 116.426 115.700 -0.027 0.000 2.585 83 S HA 0.326 4.796 4.470 -0.001 0.000 0.273 83 S C 1.560 176.150 174.600 -0.017 0.000 1.339 83 S CA -0.168 58.021 58.200 -0.017 0.000 1.028 83 S CB 0.835 64.017 63.200 -0.030 0.000 0.906 83 S HN 0.536 nan 8.310 nan 0.000 0.528 84 V N 2.323 122.227 119.914 -0.016 0.000 2.255 84 V HA -0.202 3.917 4.120 -0.001 0.000 0.247 84 V C 2.698 178.779 176.094 -0.022 0.000 1.051 84 V CA 2.281 64.570 62.300 -0.018 0.000 1.018 84 V CB -1.238 30.576 31.823 -0.015 0.000 0.641 84 V HN 0.881 nan 8.190 nan 0.000 0.445 85 N N 0.288 118.971 118.700 -0.027 0.000 2.018 85 N HA -0.211 4.528 4.740 -0.001 0.000 0.196 85 N C 1.861 177.347 175.510 -0.040 0.000 1.043 85 N CA 1.804 54.832 53.050 -0.037 0.000 0.856 85 N CB -0.348 38.109 38.487 -0.049 0.000 1.042 85 N HN 0.483 nan 8.380 nan 0.000 0.423 86 K N 0.416 120.795 120.400 -0.035 0.000 2.063 86 K HA -0.060 4.259 4.320 -0.001 0.000 0.208 86 K C 2.011 178.649 176.600 0.063 0.000 1.048 86 K CA 1.366 57.671 56.287 0.029 0.000 0.928 86 K CB -0.188 32.372 32.500 0.100 0.000 0.713 86 K HN 0.193 nan 8.250 nan 0.000 0.442 87 A N 1.538 124.359 122.820 0.002 0.000 1.933 87 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 87 A C 0.991 178.550 177.584 -0.042 0.000 1.175 87 A CA 1.083 53.099 52.037 -0.035 0.000 0.628 87 A CB -0.350 18.628 19.000 -0.037 0.000 0.814 87 A HN 0.222 nan 8.150 nan 0.000 0.444 91 T N -1.222 113.271 114.554 -0.102 0.000 2.803 91 T HA -0.253 4.096 4.350 -0.001 0.000 0.269 91 T C 1.557 176.214 174.700 -0.072 0.000 1.052 91 T CA 1.739 63.793 62.100 -0.077 0.000 1.136 91 T CB -0.325 68.513 68.868 -0.050 0.000 0.864 91 T HN 0.454 nan 8.240 nan 0.000 0.467 92 K N 1.250 121.604 120.400 -0.076 0.000 2.515 92 K HA 0.075 4.394 4.320 -0.001 0.000 0.196 92 K C 1.933 178.498 176.600 -0.058 0.000 1.038 92 K CA 0.641 56.895 56.287 -0.055 0.000 0.967 92 K CB -0.370 32.105 32.500 -0.043 0.000 0.780 92 K HN 0.413 nan 8.250 nan 0.000 0.483 93 L N 0.418 121.569 121.223 -0.120 0.000 2.375 93 L HA 0.089 4.429 4.340 -0.001 0.000 0.215 93 L C 2.528 179.441 176.870 0.073 0.000 1.108 93 L CA 0.532 55.299 54.840 -0.121 0.000 0.830 93 L CB -0.231 41.489 42.059 -0.566 0.000 0.959 93 L HN 0.252 nan 8.230 nan 0.000 0.457 94 A N -0.234 122.583 122.820 -0.005 0.000 2.067 94 A HA -0.126 4.193 4.320 -0.001 0.000 0.219 94 A C 1.949 179.541 177.584 0.014 0.000 1.158 94 A CA 1.263 53.313 52.037 0.020 0.000 0.661 94 A CB -0.103 18.889 19.000 -0.013 0.000 0.801 94 A HN 0.290 nan 8.150 nan 0.000 0.452 95 E N -0.926 119.276 120.200 0.003 0.000 2.066 95 E HA 0.195 4.544 4.350 -0.001 0.000 0.207 95 E C 1.287 177.859 176.600 -0.046 0.000 0.937 95 E CA 0.977 57.364 56.400 -0.021 0.000 0.906 95 E CB -1.300 28.389 29.700 -0.018 0.000 0.986 95 E HN 0.406 nan 8.360 nan 0.000 0.490 96 T N 1.166 115.706 114.554 -0.024 0.000 13.885 96 T HA -0.321 4.028 4.350 -0.001 0.000 0.414 96 T C 0.422 175.080 174.700 -0.071 0.000 1.445 96 T CA 1.981 64.059 62.100 -0.035 0.000 2.305 96 T CB -0.810 68.029 68.868 -0.048 0.000 2.728 96 T HN 0.354 nan 8.240 nan 0.000 0.311 97 K N 0.914 121.244 120.400 -0.116 0.000 2.222 97 K HA 0.428 4.747 4.320 -0.001 0.000 0.369 97 K C -0.121 176.420 176.600 -0.100 0.000 1.625 97 K CA 0.706 56.938 56.287 -0.092 0.000 1.097 97 K CB 0.115 32.587 32.500 -0.047 0.000 1.406 97 K HN 1.801 nan 8.250 nan 0.000 0.474 98 G N 1.596 110.317 108.800 -0.132 0.000 2.151 98 G HA2 0.011 3.971 3.960 -0.001 0.000 0.156 98 G HA3 0.011 3.971 3.960 -0.001 0.000 0.156 98 G C 0.210 175.003 174.900 -0.179 0.000 1.017 98 G CA -0.209 44.827 45.100 -0.106 0.000 0.686 98 G HN 0.974 nan 8.290 nan 0.000 0.503 99 A N -0.067 122.536 122.820 -0.361 0.000 2.587 99 A HA 0.615 4.934 4.320 -0.001 0.000 0.233 99 A C 1.674 179.208 177.584 -0.085 0.000 1.049 99 A CA 1.339 53.027 52.037 -0.581 0.000 0.754 99 A CB 0.429 19.149 19.000 -0.466 0.000 0.977 99 A HN 1.880 nan 8.150 nan 0.000 0.509 100 A N 1.658 124.595 122.820 0.194 0.000 2.132 100 A HA 0.570 4.889 4.320 -0.001 0.000 0.213 100 A C 1.047 178.692 177.584 0.103 0.000 1.154 100 A CA 1.512 53.629 52.037 0.133 0.000 0.753 100 A CB -0.318 18.754 19.000 0.120 0.000 0.826 100 A HN 2.448 nan 8.150 nan 0.000 0.469 101 A N -1.006 121.906 122.820 0.153 0.000 2.515 101 A HA 0.502 4.821 4.320 -0.001 0.000 0.292 101 A C -1.672 175.971 177.584 0.098 0.000 1.065 101 A CA -0.313 51.773 52.037 0.082 0.000 0.641 101 A CB -0.144 18.881 19.000 0.042 0.000 1.306 101 A HN 0.059 nan 8.150 nan 0.000 0.441 102 D N -0.173 120.235 120.400 0.014 0.000 2.399 102 D HA 0.404 5.043 4.640 -0.001 0.000 0.241 102 D C -0.423 175.892 176.300 0.024 0.000 1.133 102 D CA 0.683 54.681 54.000 -0.002 0.000 0.890 102 D CB 0.866 41.622 40.800 -0.073 0.000 1.201 102 D HN 0.536 nan 8.370 nan 0.000 0.432 103 V N 3.882 123.822 119.914 0.044 0.000 2.305 103 V HA 0.216 4.335 4.120 -0.001 0.000 0.275 103 V C 0.040 176.129 176.094 -0.008 0.000 1.020 103 V CA -1.084 61.239 62.300 0.040 0.000 0.811 103 V CB 0.710 32.576 31.823 0.072 0.000 1.031 103 V HN 0.503 nan 8.190 nan 0.000 0.439 104 N N 4.593 123.277 118.700 -0.026 0.000 2.482 104 N HA 0.347 5.086 4.740 -0.001 0.000 0.242 104 N C -0.713 174.795 175.510 -0.003 0.000 1.100 104 N CA -0.033 53.008 53.050 -0.016 0.000 0.946 104 N CB 0.379 38.847 38.487 -0.032 0.000 1.227 104 N HN 0.681 nan 8.380 nan 0.000 0.508 105 I N 4.133 124.693 120.570 -0.016 0.000 2.304 105 I HA 0.222 4.391 4.170 -0.001 0.000 0.291 105 I C -0.207 175.901 176.117 -0.014 0.000 1.018 105 I CA -0.538 60.743 61.300 -0.033 0.000 1.260 105 I CB 0.803 38.765 38.000 -0.064 0.000 1.390 105 I HN 0.272 nan 8.210 nan 0.000 0.475 106 L N 7.439 128.656 121.223 -0.010 0.000 2.307 106 L HA 0.495 4.834 4.340 -0.001 0.000 0.284 106 L C -0.225 176.629 176.870 -0.027 0.000 1.023 106 L CA -0.806 54.029 54.840 -0.009 0.000 0.810 106 L CB 1.177 43.235 42.059 -0.002 0.000 1.231 106 L HN 0.477 nan 8.230 nan 0.000 0.423 107 K N 3.689 124.072 120.400 -0.028 0.000 2.206 107 K HA 0.496 4.815 4.320 -0.001 0.000 0.264 107 K C -0.546 176.032 176.600 -0.037 0.000 0.967 107 K CA -0.775 55.495 56.287 -0.029 0.000 0.844 107 K CB 2.049 34.535 32.500 -0.023 0.000 1.099 107 K HN 0.492 nan 8.250 nan 0.000 0.441 108 R N 0.774 121.256 120.500 -0.031 0.000 2.560 108 R HA 0.213 4.552 4.340 -0.001 0.000 0.270 108 R C 0.620 176.908 176.300 -0.019 0.000 1.074 108 R CA -0.136 55.943 56.100 -0.036 0.000 1.140 108 R CB 1.067 31.365 30.300 -0.002 0.000 1.073 108 R HN 0.750 nan 8.270 nan 0.000 0.527 109 T N -1.668 112.875 114.554 -0.018 0.000 2.762 109 T HA 0.344 4.694 4.350 -0.001 0.000 0.272 109 T C 0.143 174.847 174.700 0.006 0.000 0.982 109 T CA -0.966 61.130 62.100 -0.007 0.000 1.013 109 T CB 1.093 69.955 68.868 -0.010 0.000 1.309 109 T HN 0.293 nan 8.240 nan 0.000 0.572 110 K N 0.377 120.782 120.400 0.009 0.000 2.410 110 K HA 0.360 4.679 4.320 -0.001 0.000 0.200 110 K C -0.396 176.214 176.600 0.017 0.000 1.023 110 K CA -0.142 56.155 56.287 0.017 0.000 1.149 110 K CB -0.188 32.321 32.500 0.015 0.000 0.859 110 K HN 0.608 nan 8.250 nan 0.000 0.514 111 D N -0.245 120.161 120.400 0.011 0.000 2.381 111 D HA 0.352 4.991 4.640 -0.001 0.000 0.235 111 D C 0.822 177.130 176.300 0.014 0.000 1.068 111 D CA -0.423 53.585 54.000 0.012 0.000 0.832 111 D CB 1.431 42.234 40.800 0.007 0.000 1.101 111 D HN 0.026 nan 8.370 nan 0.000 0.515 112 A N 3.947 126.781 122.820 0.024 0.000 1.940 112 A HA -0.183 4.136 4.320 -0.001 0.000 0.219 112 A C 1.839 179.443 177.584 0.034 0.000 1.176 112 A CA 1.343 53.401 52.037 0.036 0.000 0.631 112 A CB -0.449 18.577 19.000 0.042 0.000 0.814 112 A HN 0.732 nan 8.150 nan 0.000 0.446 113 E N -0.608 119.607 120.200 0.025 0.000 2.216 113 E HA -0.131 4.219 4.350 -0.001 0.000 0.192 113 E C 1.763 178.373 176.600 0.016 0.000 0.988 113 E CA 0.825 57.241 56.400 0.025 0.000 0.834 113 E CB -0.024 29.688 29.700 0.021 0.000 0.772 113 E HN 0.743 nan 8.360 nan 0.000 0.479 114 E N -0.044 120.157 120.200 0.003 0.000 2.230 114 E HA -0.055 4.295 4.350 -0.001 0.000 0.192 114 E C 1.656 178.230 176.600 -0.043 0.000 0.987 114 E CA 0.099 56.491 56.400 -0.013 0.000 0.841 114 E CB 0.173 29.866 29.700 -0.013 0.000 0.783 114 E HN 0.166 nan 8.360 nan 0.000 0.481 115 N N 1.092 119.762 118.700 -0.050 0.000 2.270 115 N HA -0.081 4.659 4.740 -0.001 0.000 0.181 115 N C 1.469 176.881 175.510 -0.163 0.000 1.016 115 N CA 0.838 53.804 53.050 -0.139 0.000 0.870 115 N CB 0.045 38.477 38.487 -0.091 0.000 0.979 115 N HN 0.081 nan 8.380 nan 0.000 0.431 116 K N 1.029 121.437 120.400 0.013 0.000 2.057 116 K HA 0.009 4.328 4.320 -0.001 0.000 0.206 116 K C 1.757 178.423 176.600 0.110 0.000 1.050 116 K CA 0.981 57.353 56.287 0.141 0.000 0.935 116 K CB 0.062 32.638 32.500 0.125 0.000 0.715 116 K HN 0.120 nan 8.250 nan 0.000 0.439 117 K N 0.700 121.123 120.400 0.038 0.000 2.209 117 K HA -0.080 4.239 4.320 -0.001 0.000 0.204 117 K C 1.991 178.590 176.600 -0.000 0.000 1.048 117 K CA 0.807 57.111 56.287 0.028 0.000 0.940 117 K CB -0.015 32.492 32.500 0.011 0.000 0.729 117 K HN 0.127 nan 8.250 nan 0.000 0.451 118 L N -0.366 120.817 121.223 -0.066 0.000 2.093 118 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 118 L C 2.052 178.874 176.870 -0.079 0.000 1.085 118 L CA 0.980 55.740 54.840 -0.132 0.000 0.755 118 L CB -0.279 41.627 42.059 -0.253 0.000 0.904 118 L HN 0.068 nan 8.230 nan 0.000 0.435 119 F N 0.455 120.442 119.950 0.062 0.000 2.163 119 F HA -0.137 4.389 4.527 -0.001 0.000 0.297 119 F C 2.508 178.412 175.800 0.175 0.000 1.094 119 F CA 0.975 59.078 58.000 0.173 0.000 1.290 119 F CB -0.558 38.610 39.000 0.279 0.000 1.017 119 F HN 0.065 nan 8.300 nan 0.000 0.483 120 E N -0.129 120.239 120.200 0.281 0.000 2.265 120 E HA -0.216 4.133 4.350 -0.001 0.000 0.196 120 E C 2.048 178.685 176.600 0.062 0.000 0.996 120 E CA 0.806 57.308 56.400 0.170 0.000 0.832 120 E CB -0.113 29.653 29.700 0.110 0.000 0.756 120 E HN 0.308 nan 8.360 nan 0.000 0.491 121 K N 0.942 121.325 120.400 -0.028 0.000 2.155 121 K HA -0.116 4.204 4.320 -0.001 0.000 0.203 121 K C 2.182 178.417 176.600 -0.607 0.000 1.052 121 K CA 0.940 57.068 56.287 -0.265 0.000 0.948 121 K CB -0.012 32.341 32.500 -0.245 0.000 0.728 121 K HN 0.193 nan 8.250 nan 0.000 0.448 122 I N -1.866 118.520 120.570 -0.307 0.000 2.617 122 I HA -0.061 4.108 4.170 -0.001 0.000 0.256 122 I C 1.572 177.682 176.117 -0.013 0.000 1.167 122 I CA 0.988 62.139 61.300 -0.248 0.000 1.469 122 I CB -0.019 37.964 38.000 -0.028 0.000 1.098 122 I HN 0.012 nan 8.210 nan 0.000 0.436 123 I N 1.393 122.031 120.570 0.112 0.000 2.315 123 I HA -0.193 3.976 4.170 -0.001 0.000 0.248 123 I C 2.453 178.657 176.117 0.144 0.000 1.117 123 I CA 1.391 62.811 61.300 0.201 0.000 1.404 123 I CB -0.413 37.756 38.000 0.282 0.000 1.071 123 I HN 0.286 nan 8.210 nan 0.000 0.419 124 E N 0.033 120.262 120.200 0.049 0.000 2.077 124 E HA -0.224 4.126 4.350 -0.001 0.000 0.193 124 E C 2.136 178.852 176.600 0.193 0.000 0.989 124 E CA 1.316 57.767 56.400 0.084 0.000 0.800 124 E CB -0.081 29.628 29.700 0.015 0.000 0.746 124 E HN 0.441 nan 8.360 nan 0.000 0.452 125 Y N 0.344 120.701 120.300 0.095 0.000 2.200 125 Y HA -0.124 4.426 4.550 -0.001 0.000 0.290 125 Y C 2.098 178.035 175.900 0.061 0.000 1.137 125 Y CA 0.478 58.625 58.100 0.078 0.000 1.163 125 Y CB -0.518 37.984 38.460 0.071 0.000 0.988 125 Y HN 0.069 nan 8.280 nan 0.000 0.518 126 I N -0.523 120.153 120.570 0.177 0.000 2.439 126 I HA -0.236 3.933 4.170 -0.001 0.000 0.251 126 I C 2.346 178.513 176.117 0.084 0.000 1.139 126 I CA 1.004 62.312 61.300 0.013 0.000 1.438 126 I CB -0.299 37.501 38.000 -0.334 0.000 1.085 126 I HN 0.080 nan 8.210 nan 0.000 0.427 127 R N 0.795 121.407 120.500 0.186 0.000 2.189 127 R HA -0.006 4.333 4.340 -0.001 0.000 0.223 127 R C 1.862 178.273 176.300 0.186 0.000 1.092 127 R CA 1.122 57.388 56.100 0.277 0.000 0.989 127 R CB -0.184 30.279 30.300 0.272 0.000 0.876 127 R HN 0.279 nan 8.270 nan 0.000 0.457 128 A N 1.011 123.924 122.820 0.155 0.000 2.302 128 A HA 0.029 4.348 4.320 -0.001 0.000 0.219 128 A C 0.860 178.491 177.584 0.079 0.000 1.243 128 A CA 0.299 52.403 52.037 0.111 0.000 0.856 128 A CB -0.196 18.872 19.000 0.113 0.000 0.893 128 A HN 0.338 nan 8.150 nan 0.000 0.491 129 T N -3.200 111.412 114.554 0.097 0.000 2.804 129 T HA 0.264 4.613 4.350 -0.001 0.000 0.272 129 T C 0.791 175.543 174.700 0.086 0.000 0.986 129 T CA -0.017 62.126 62.100 0.071 0.000 0.999 129 T CB 0.519 69.432 68.868 0.075 0.000 1.307 129 T HN 0.183 nan 8.240 nan 0.000 0.586 130 N N -0.012 118.734 118.700 0.076 0.000 2.575 130 N HA -0.060 4.679 4.740 -0.001 0.000 0.192 130 N C 0.427 176.015 175.510 0.130 0.000 1.200 130 N CA 0.192 53.294 53.050 0.087 0.000 0.897 130 N CB -0.809 37.720 38.487 0.070 0.000 0.990 130 N HN 0.863 nan 8.380 nan 0.000 0.449 131 K N -0.732 119.765 120.400 0.162 0.000 3.048 131 K HA -0.205 4.114 4.320 -0.001 0.000 0.274 131 K C -0.792 175.948 176.600 0.233 0.000 1.098 131 K CA 0.925 57.361 56.287 0.248 0.000 0.807 131 K CB -1.019 31.718 32.500 0.395 0.000 1.217 131 K HN 0.495 nan 8.250 nan 0.000 0.477 132 K N 1.298 121.801 120.400 0.173 0.000 2.262 132 K HA 0.276 4.596 4.320 -0.001 0.000 0.282 132 K C -0.171 176.529 176.600 0.167 0.000 1.066 132 K CA -0.356 56.032 56.287 0.169 0.000 0.901 132 K CB 1.687 34.279 32.500 0.152 0.000 1.089 132 K HN -0.154 nan 8.250 nan 0.000 0.476 133 V N 2.705 122.716 119.914 0.161 0.000 2.313 133 V HA 0.212 4.331 4.120 -0.001 0.000 0.278 133 V C 0.618 176.768 176.094 0.095 0.000 1.017 133 V CA -1.022 61.354 62.300 0.127 0.000 0.823 133 V CB 1.301 33.199 31.823 0.125 0.000 1.010 133 V HN 0.915 nan 8.190 nan 0.000 0.443 134 G N 4.057 112.900 108.800 0.071 0.000 2.365 134 G HA2 0.478 4.437 3.960 -0.001 0.000 0.249 134 G HA3 0.478 4.437 3.960 -0.001 0.000 0.249 134 G C -0.190 174.618 174.900 -0.153 0.000 1.288 134 G CA 0.257 45.349 45.100 -0.013 0.000 0.887 134 G HN 1.017 nan 8.290 nan 0.000 0.524 135 V N 0.263 120.084 119.914 -0.155 0.000 3.141 135 V HA 0.776 4.895 4.120 -0.001 0.000 0.312 135 V C -0.747 175.235 176.094 -0.186 0.000 1.157 135 V CA -1.727 60.408 62.300 -0.275 0.000 1.041 135 V CB 1.935 33.710 31.823 -0.080 0.000 1.071 135 V HN 0.564 nan 8.190 nan 0.000 0.441 136 F N 1.330 121.275 119.950 -0.009 0.000 2.307 136 F HA 0.506 5.032 4.527 -0.001 0.000 0.369 136 F C -1.586 174.212 175.800 -0.003 0.000 1.076 136 F CA -1.897 56.089 58.000 -0.025 0.000 1.149 136 F CB 1.699 40.677 39.000 -0.037 0.000 1.410 136 F HN 0.399 nan 8.300 nan 0.000 0.481 137 P HA -0.074 nan 4.420 nan 0.000 0.233 137 P C 0.858 178.208 177.300 0.083 0.000 1.167 137 P CA 0.942 64.101 63.100 0.099 0.000 0.770 137 P CB 0.228 31.972 31.700 0.074 0.000 0.837 138 K N -0.585 119.865 120.400 0.083 0.000 2.426 138 K HA 0.047 4.366 4.320 -0.001 0.000 0.193 138 K C 0.024 176.656 176.600 0.054 0.000 1.028 138 K CA 0.100 56.418 56.287 0.051 0.000 1.047 138 K CB 0.003 32.519 32.500 0.027 0.000 0.821 138 K HN 0.157 nan 8.250 nan 0.000 0.513 139 D N 1.931 122.380 120.400 0.082 0.000 2.350 139 D HA 0.101 4.741 4.640 -0.001 0.000 0.249 139 D C -0.188 176.150 176.300 0.064 0.000 1.119 139 D CA 0.359 54.405 54.000 0.076 0.000 0.886 139 D CB 0.924 41.795 40.800 0.119 0.000 1.195 139 D HN -0.256 nan 8.370 nan 0.000 0.437 140 K N 1.388 121.814 120.400 0.044 0.000 2.413 140 K HA 0.525 4.845 4.320 -0.001 0.000 0.257 140 K C -0.328 176.292 176.600 0.034 0.000 0.946 140 K CA -0.609 55.701 56.287 0.038 0.000 0.823 140 K CB 2.208 34.721 32.500 0.022 0.000 1.109 140 K HN 0.287 nan 8.250 nan 0.000 0.427 141 T N 1.878 116.462 114.554 0.050 0.000 2.903 141 T HA 0.521 4.870 4.350 -0.001 0.000 0.299 141 T C -1.655 173.085 174.700 0.067 0.000 1.093 141 T CA -0.592 61.541 62.100 0.055 0.000 1.002 141 T CB 1.309 70.221 68.868 0.074 0.000 1.127 141 T HN 0.596 nan 8.240 nan 0.000 0.488 142 Q N 1.102 120.942 119.800 0.067 0.000 2.456 142 Q HA 0.895 5.234 4.340 -0.001 0.000 0.284 142 Q C -0.200 175.860 176.000 0.099 0.000 1.061 142 Q CA -0.600 55.248 55.803 0.074 0.000 0.799 142 Q CB 1.659 30.425 28.738 0.047 0.000 1.445 142 Q HN 1.136 nan 8.270 nan 0.000 0.411 143 G N 0.385 109.249 108.800 0.107 0.000 2.346 143 G HA2 -0.020 3.939 3.960 -0.001 0.000 0.294 143 G HA3 -0.020 3.939 3.960 -0.001 0.000 0.294 143 G C -0.530 174.457 174.900 0.145 0.000 1.294 143 G CA -0.405 44.769 45.100 0.123 0.000 0.962 143 G HN 0.483 nan 8.290 nan 0.000 0.508 144 K N -0.890 119.605 120.400 0.159 0.000 2.097 144 K HA 0.025 4.344 4.320 -0.001 0.000 0.205 144 K C 2.215 178.946 176.600 0.219 0.000 1.050 144 K CA 1.748 58.132 56.287 0.161 0.000 0.938 144 K CB -0.108 32.483 32.500 0.150 0.000 0.718 144 K HN 0.342 nan 8.250 nan 0.000 0.442 145 F N 1.644 121.674 119.950 0.132 0.000 2.186 145 F HA -0.155 4.371 4.527 -0.001 0.000 0.299 145 F C 1.822 177.740 175.800 0.197 0.000 1.090 145 F CA 0.952 59.068 58.000 0.193 0.000 1.307 145 F CB 0.094 39.196 39.000 0.170 0.000 1.019 145 F HN -0.120 nan 8.300 nan 0.000 0.489 146 I N 0.729 121.454 120.570 0.259 0.000 2.353 146 I HA -0.255 3.914 4.170 -0.001 0.000 0.248 146 I C 1.902 178.062 176.117 0.071 0.000 1.119 146 I CA 1.283 62.686 61.300 0.172 0.000 1.417 146 I CB -1.627 36.491 38.000 0.197 0.000 1.078 146 I HN 0.286 nan 8.210 nan 0.000 0.421 147 N N 0.517 119.256 118.700 0.065 0.000 2.120 147 N HA -0.192 4.547 4.740 -0.001 0.000 0.188 147 N C 1.668 177.159 175.510 -0.033 0.000 1.024 147 N CA 1.001 54.064 53.050 0.022 0.000 0.852 147 N CB -0.013 38.501 38.487 0.044 0.000 1.003 147 N HN 0.425 nan 8.380 nan 0.000 0.424 148 E N 0.462 120.646 120.200 -0.026 0.000 2.051 148 E HA -0.219 4.130 4.350 -0.001 0.000 0.192 148 E C 1.724 178.145 176.600 -0.299 0.000 0.991 148 E CA 0.814 57.189 56.400 -0.041 0.000 0.799 148 E CB -0.206 29.590 29.700 0.159 0.000 0.748 148 E HN 0.557 nan 8.360 nan 0.000 0.449 149 W N 2.130 122.959 121.300 -0.785 0.000 2.358 149 W HA -0.205 4.454 4.660 -0.001 0.000 0.303 149 W C 1.089 177.344 176.519 -0.439 0.000 1.208 149 W CA 1.175 57.874 57.345 -1.077 0.000 1.274 149 W CB -0.021 28.851 29.460 -0.980 0.000 1.138 149 W HN 0.033 nan 8.180 nan 0.000 0.515 150 D N 0.338 120.508 120.400 -0.383 0.000 2.117 150 D HA -0.162 4.477 4.640 -0.001 0.000 0.197 150 D C 2.323 178.441 176.300 -0.305 0.000 0.987 150 D CA 2.245 56.044 54.000 -0.334 0.000 0.829 150 D CB -0.548 40.181 40.800 -0.119 0.000 0.961 150 D HN 0.160 nan 8.370 nan 0.000 0.460 151 S N -0.535 115.025 115.700 -0.234 0.000 2.561 151 S HA 0.091 4.560 4.470 -0.001 0.000 0.225 151 S C 1.995 176.487 174.600 -0.180 0.000 0.977 151 S CA 0.090 58.194 58.200 -0.159 0.000 0.926 151 S CB 0.220 63.366 63.200 -0.091 0.000 0.769 151 S HN 0.240 nan 8.310 nan 0.000 0.533 152 I N -0.730 119.670 120.570 -0.284 0.000 2.947 152 I HA 0.170 4.339 4.170 -0.001 0.000 0.263 152 I C 1.911 177.837 176.117 -0.317 0.000 1.130 152 I CA 0.601 61.750 61.300 -0.251 0.000 1.448 152 I CB -0.052 37.821 38.000 -0.211 0.000 1.222 152 I HN 0.264 nan 8.210 nan 0.000 0.453 153 F N 1.977 121.445 119.950 -0.804 0.000 2.335 153 F HA -0.034 4.492 4.527 -0.001 0.000 0.296 153 F C 2.258 177.821 175.800 -0.394 0.000 1.091 153 F CA 1.192 58.719 58.000 -0.789 0.000 1.399 153 F CB 0.019 38.103 39.000 -1.525 0.000 1.067 153 F HN -0.091 nan 8.300 nan 0.000 0.520 154 E N 0.603 120.588 120.200 -0.359 0.000 2.110 154 E HA -0.101 4.248 4.350 -0.001 0.000 0.193 154 E C -0.651 175.779 176.600 -0.284 0.000 0.988 154 E CA 1.290 57.515 56.400 -0.293 0.000 0.804 154 E CB -1.280 28.313 29.700 -0.178 0.000 0.745 154 E HN 0.264 nan 8.360 nan 0.000 0.458 155 P HA -0.023 nan 4.420 nan 0.000 0.227 155 P C 0.817 177.974 177.300 -0.238 0.000 1.161 155 P CA 0.575 63.555 63.100 -0.200 0.000 0.788 155 P CB 0.352 31.962 31.700 -0.148 0.000 0.822 156 V N -0.275 119.458 119.914 -0.301 0.000 3.647 156 V HA 0.042 4.161 4.120 -0.001 0.000 0.279 156 V C 2.170 177.962 176.094 -0.504 0.000 1.314 156 V CA 0.659 62.774 62.300 -0.309 0.000 1.125 156 V CB -0.666 31.067 31.823 -0.150 0.000 0.907 156 V HN 0.091 nan 8.190 nan 0.000 0.434 157 K N 1.153 121.230 120.400 -0.537 0.000 2.097 157 K HA -0.141 4.179 4.320 -0.001 0.000 0.205 157 K C 2.176 178.523 176.600 -0.421 0.000 1.050 157 K CA 1.753 57.671 56.287 -0.615 0.000 0.938 157 K CB -0.083 32.109 32.500 -0.513 0.000 0.718 157 K HN 0.596 nan 8.250 nan 0.000 0.442 158 S N 0.222 115.705 115.700 -0.362 0.000 2.555 158 S HA -0.047 4.422 4.470 -0.001 0.000 0.230 158 S C 1.115 175.514 174.600 -0.335 0.000 0.978 158 S CA 0.601 58.644 58.200 -0.262 0.000 0.934 158 S CB -0.104 62.983 63.200 -0.188 0.000 0.766 158 S HN 0.362 nan 8.310 nan 0.000 0.533 159 E N 0.133 119.950 120.200 -0.639 0.000 2.427 159 E HA 0.133 4.482 4.350 -0.001 0.000 0.196 159 E C -0.491 175.743 176.600 -0.611 0.000 1.028 159 E CA 0.401 56.351 56.400 -0.750 0.000 0.864 159 E CB 0.005 29.032 29.700 -1.121 0.000 0.813 159 E HN 0.682 nan 8.360 nan 0.000 0.514 160 F N 0.039 119.975 119.950 -0.025 0.000 2.561 160 F HA 0.370 4.896 4.527 -0.001 0.000 0.321 160 F C 0.360 176.184 175.800 0.041 0.000 1.065 160 F CA -1.529 56.492 58.000 0.036 0.000 0.934 160 F CB 1.005 40.061 39.000 0.093 0.000 1.215 160 F HN -0.275 nan 8.300 nan 0.000 0.471 161 N N 2.292 121.154 118.700 0.270 0.000 2.546 161 N HA 0.291 5.030 4.740 -0.001 0.000 0.238 161 N C -1.534 174.082 175.510 0.177 0.000 0.984 161 N CA -0.440 52.712 53.050 0.171 0.000 0.935 161 N CB 0.660 39.225 38.487 0.131 0.000 1.122 161 N HN 0.439 nan 8.380 nan 0.000 0.510 162 L N 3.657 124.979 121.223 0.166 0.000 2.315 162 L HA 0.278 4.617 4.340 -0.001 0.000 0.283 162 L C 0.285 177.218 176.870 0.106 0.000 1.089 162 L CA -0.403 54.528 54.840 0.151 0.000 0.833 162 L CB 0.646 42.804 42.059 0.165 0.000 1.170 162 L HN 0.309 nan 8.230 nan 0.000 0.442 163 V N -0.423 119.547 119.914 0.094 0.000 2.960 163 V HA 0.628 4.748 4.120 -0.001 0.000 0.315 163 V C -0.449 175.679 176.094 0.056 0.000 1.087 163 V CA -0.948 61.398 62.300 0.077 0.000 0.982 163 V CB 2.145 34.023 31.823 0.091 0.000 1.039 163 V HN 0.577 nan 8.190 nan 0.000 0.437 164 D N 2.498 122.927 120.400 0.048 0.000 2.393 164 D HA 0.562 5.201 4.640 -0.001 0.000 0.232 164 D C 0.650 176.963 176.300 0.021 0.000 1.192 164 D CA 0.310 54.336 54.000 0.043 0.000 0.882 164 D CB 1.342 42.163 40.800 0.036 0.000 1.038 164 D HN 0.937 nan 8.370 nan 0.000 0.499 165 A N 3.148 125.984 122.820 0.026 0.000 2.379 165 A HA 0.055 4.374 4.320 -0.001 0.000 0.236 165 A C 2.049 179.615 177.584 -0.030 0.000 1.272 165 A CA -0.028 51.982 52.037 -0.046 0.000 0.886 165 A CB -0.018 18.958 19.000 -0.039 0.000 0.962 165 A HN 0.492 nan 8.150 nan 0.000 0.504 166 S N 0.150 115.894 115.700 0.073 0.000 2.359 166 S HA -0.175 4.294 4.470 -0.001 0.000 0.223 166 S C 1.755 176.227 174.600 -0.213 0.000 1.039 166 S CA 1.820 60.022 58.200 0.004 0.000 1.042 166 S CB -0.357 62.832 63.200 -0.019 0.000 0.915 166 S HN 0.616 nan 8.310 nan 0.000 0.439 167 L N 0.741 121.827 121.223 -0.228 0.000 2.376 167 L HA 0.054 4.393 4.340 -0.001 0.000 0.219 167 L C 2.568 179.200 176.870 -0.397 0.000 1.133 167 L CA 0.621 55.303 54.840 -0.263 0.000 0.816 167 L CB -0.826 41.119 42.059 -0.191 0.000 0.933 167 L HN 0.439 nan 8.230 nan 0.000 0.449 168 G N 0.685 109.086 108.800 -0.666 0.000 2.433 168 G HA2 -0.290 3.669 3.960 -0.001 0.000 0.216 168 G HA3 -0.290 3.669 3.960 -0.001 0.000 0.216 168 G C 1.520 176.056 174.900 -0.605 0.000 1.186 168 G CA 0.752 45.105 45.100 -1.245 0.000 0.779 168 G HN 0.239 nan 8.290 nan 0.000 0.543 169 L N 1.439 122.405 121.223 -0.428 0.000 2.056 169 L HA 0.212 4.551 4.340 -0.001 0.000 0.207 169 L C 3.032 179.663 176.870 -0.398 0.000 1.078 169 L CA 2.085 56.725 54.840 -0.333 0.000 0.749 169 L CB -0.777 41.080 42.059 -0.337 0.000 0.901 169 L HN 0.240 nan 8.230 nan 0.000 0.433 170 A N -0.511 122.092 122.820 -0.363 0.000 1.986 170 A HA -0.298 4.021 4.320 -0.001 0.000 0.220 170 A C 2.460 179.891 177.584 -0.254 0.000 1.171 170 A CA 2.071 53.923 52.037 -0.307 0.000 0.640 170 A CB -0.682 18.168 19.000 -0.251 0.000 0.811 170 A HN 0.558 nan 8.150 nan 0.000 0.451 171 K N -0.823 119.441 120.400 -0.226 0.000 2.148 171 K HA -0.122 4.197 4.320 -0.001 0.000 0.204 171 K C 1.903 178.425 176.600 -0.130 0.000 1.050 171 K CA 1.528 57.730 56.287 -0.142 0.000 0.942 171 K CB -0.362 32.082 32.500 -0.094 0.000 0.724 171 K HN 0.544 nan 8.250 nan 0.000 0.446 172 C N 0.692 119.864 119.300 -0.212 0.000 2.476 172 C HA 0.016 4.475 4.460 -0.001 0.000 0.278 172 C C 2.405 177.167 174.990 -0.380 0.000 1.274 172 C CA 0.341 59.206 59.018 -0.256 0.000 1.713 172 C CB -0.722 26.747 27.740 -0.451 0.000 2.039 172 C HN 0.472 nan 8.230 nan 0.000 0.484 173 L N 1.160 122.043 121.223 -0.565 0.000 2.275 173 L HA -0.073 4.267 4.340 -0.001 0.000 0.215 173 L C 2.785 179.547 176.870 -0.180 0.000 1.119 173 L CA 1.186 55.729 54.840 -0.494 0.000 0.790 173 L CB -0.702 41.064 42.059 -0.489 0.000 0.919 173 L HN 0.323 nan 8.230 nan 0.000 0.443 174 A N 0.070 122.802 122.820 -0.147 0.000 1.969 174 A HA -0.033 4.287 4.320 -0.001 0.000 0.218 174 A C 1.153 178.730 177.584 -0.011 0.000 1.169 174 A CA 0.773 52.766 52.037 -0.074 0.000 0.635 174 A CB -0.217 18.736 19.000 -0.080 0.000 0.810 174 A HN 0.212 nan 8.150 nan 0.000 0.445 175 I N 1.262 121.844 120.570 0.019 0.000 2.307 175 I HA 0.274 4.443 4.170 -0.001 0.000 0.289 175 I C -0.678 175.506 176.117 0.111 0.000 1.021 175 I CA -0.757 60.579 61.300 0.060 0.000 1.224 175 I CB 0.889 38.927 38.000 0.063 0.000 1.376 175 I HN 0.023 nan 8.210 nan 0.000 0.470 176 K N 5.014 125.476 120.400 0.103 0.000 2.234 176 K HA 0.258 4.577 4.320 -0.001 0.000 0.282 176 K C -0.051 176.604 176.600 0.092 0.000 1.039 176 K CA -0.558 55.802 56.287 0.122 0.000 0.928 176 K CB 1.525 34.090 32.500 0.108 0.000 1.039 176 K HN 0.578 nan 8.250 nan 0.000 0.470 177 D N 0.453 120.905 120.400 0.086 0.000 2.478 177 D HA 0.046 4.686 4.640 -0.001 0.000 0.269 177 D C 0.821 177.125 176.300 0.006 0.000 1.232 177 D CA -0.286 53.742 54.000 0.047 0.000 1.059 177 D CB 0.586 41.411 40.800 0.042 0.000 1.104 177 D HN 0.404 nan 8.370 nan 0.000 0.566 178 E N -1.110 119.088 120.200 -0.003 0.000 2.086 178 E HA -0.315 4.034 4.350 -0.001 0.000 0.200 178 E C 1.663 178.232 176.600 -0.052 0.000 1.012 178 E CA 1.696 58.086 56.400 -0.016 0.000 0.812 178 E CB -0.043 29.648 29.700 -0.015 0.000 0.743 178 E HN 0.516 nan 8.360 nan 0.000 0.453 179 Q N 0.930 120.685 119.800 -0.075 0.000 2.172 179 Q HA -0.143 4.197 4.340 -0.001 0.000 0.200 179 Q C 1.528 177.395 176.000 -0.222 0.000 0.964 179 Q CA 1.490 57.221 55.803 -0.121 0.000 0.855 179 Q CB 0.125 28.796 28.738 -0.112 0.000 0.918 179 Q HN 0.277 nan 8.270 nan 0.000 0.444 180 E N -0.418 119.632 120.200 -0.251 0.000 2.076 180 E HA -0.056 4.293 4.350 -0.001 0.000 0.190 180 E C 1.929 178.346 176.600 -0.305 0.000 0.979 180 E CA 0.797 56.901 56.400 -0.493 0.000 0.807 180 E CB -0.033 29.492 29.700 -0.291 0.000 0.761 180 E HN 0.341 nan 8.360 nan 0.000 0.454 181 L N 0.681 121.835 121.223 -0.115 0.000 2.131 181 L HA -0.169 4.170 4.340 -0.001 0.000 0.210 181 L C 2.495 179.283 176.870 -0.138 0.000 1.092 181 L CA 0.863 55.691 54.840 -0.020 0.000 0.759 181 L CB -0.364 41.736 42.059 0.068 0.000 0.903 181 L HN 0.162 nan 8.230 nan 0.000 0.435 182 A N 0.015 122.746 122.820 -0.147 0.000 1.929 182 A HA -0.163 4.156 4.320 -0.001 0.000 0.216 182 A C 2.011 179.518 177.584 -0.128 0.000 1.176 182 A CA 1.489 53.437 52.037 -0.148 0.000 0.628 182 A CB -0.387 18.555 19.000 -0.097 0.000 0.816 182 A HN 0.400 nan 8.150 nan 0.000 0.444 183 N N 0.300 118.913 118.700 -0.145 0.000 2.142 183 N HA -0.051 4.688 4.740 -0.001 0.000 0.186 183 N C 1.563 177.119 175.510 0.077 0.000 1.023 183 N CA 1.399 54.431 53.050 -0.030 0.000 0.852 183 N CB -0.437 37.883 38.487 -0.279 0.000 0.998 183 N HN 0.537 nan 8.380 nan 0.000 0.424 184 I N 0.915 121.468 120.570 -0.030 0.000 2.493 184 I HA -0.182 3.987 4.170 -0.001 0.000 0.254 184 I C 2.325 178.348 176.117 -0.157 0.000 1.160 184 I CA 0.888 62.216 61.300 0.048 0.000 1.445 184 I CB -0.049 38.041 38.000 0.151 0.000 1.086 184 I HN 0.131 nan 8.210 nan 0.000 0.433 185 K N 1.111 121.214 120.400 -0.496 0.000 2.186 185 K HA -0.050 4.269 4.320 -0.001 0.000 0.202 185 K C 2.116 178.507 176.600 -0.349 0.000 1.052 185 K CA 1.111 56.890 56.287 -0.845 0.000 0.965 185 K CB -0.139 31.720 32.500 -1.068 0.000 0.746 185 K HN 0.297 nan 8.250 nan 0.000 0.457 186 G N 0.563 109.241 108.800 -0.203 0.000 2.402 186 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.216 186 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.216 186 G C 1.543 176.292 174.900 -0.251 0.000 1.162 186 G CA 0.806 45.770 45.100 -0.227 0.000 0.777 186 G HN 0.395 nan 8.290 nan 0.000 0.539 187 A N 0.639 123.426 122.820 -0.055 0.000 1.930 187 A HA 0.079 4.398 4.320 -0.001 0.000 0.217 187 A C 2.689 180.316 177.584 0.072 0.000 1.175 187 A CA 2.143 54.208 52.037 0.046 0.000 0.627 187 A CB -0.468 18.669 19.000 0.229 0.000 0.815 187 A HN 0.299 nan 8.150 nan 0.000 0.443 188 S N -0.477 115.258 115.700 0.058 0.000 2.368 188 S HA -0.119 4.350 4.470 -0.001 0.000 0.224 188 S C 2.057 176.713 174.600 0.092 0.000 1.029 188 S CA 1.214 59.491 58.200 0.128 0.000 0.988 188 S CB -0.297 63.013 63.200 0.182 0.000 0.838 188 S HN 0.599 nan 8.310 nan 0.000 0.462 189 R N 0.527 121.026 120.500 -0.001 0.000 2.103 189 R HA -0.089 4.251 4.340 -0.001 0.000 0.242 189 R C 2.157 178.450 176.300 -0.013 0.000 1.142 189 R CA 1.436 57.525 56.100 -0.019 0.000 0.960 189 R CB -0.622 29.623 30.300 -0.090 0.000 0.858 189 R HN 0.256 nan 8.270 nan 0.000 0.439 190 V N 0.128 119.992 119.914 -0.082 0.000 2.379 190 V HA -0.197 3.923 4.120 -0.001 0.000 0.245 190 V C 2.146 178.276 176.094 0.060 0.000 1.044 190 V CA 1.748 63.960 62.300 -0.148 0.000 1.036 190 V CB -0.227 31.275 31.823 -0.536 0.000 0.664 190 V HN 0.289 nan 8.190 nan 0.000 0.453 191 S N -0.169 115.686 115.700 0.259 0.000 2.353 191 S HA -0.218 4.251 4.470 -0.001 0.000 0.222 191 S C 1.991 176.787 174.600 0.326 0.000 1.035 191 S CA 1.794 60.267 58.200 0.454 0.000 1.025 191 S CB -0.406 63.016 63.200 0.370 0.000 0.902 191 S HN 0.372 nan 8.310 nan 0.000 0.440 192 V N 1.480 121.534 119.914 0.234 0.000 2.667 192 V HA -0.029 4.091 4.120 -0.001 0.000 0.252 192 V C 2.307 178.529 176.094 0.214 0.000 1.065 192 V CA 1.460 63.887 62.300 0.212 0.000 1.083 192 V CB -0.755 31.167 31.823 0.166 0.000 0.692 192 V HN 0.481 nan 8.190 nan 0.000 0.468 193 A N -0.449 122.484 122.820 0.190 0.000 1.933 193 A HA -0.009 4.310 4.320 -0.001 0.000 0.218 193 A C 1.460 179.226 177.584 0.303 0.000 1.175 193 A CA 1.483 53.633 52.037 0.187 0.000 0.628 193 A CB -0.454 18.613 19.000 0.112 0.000 0.814 193 A HN 0.384 nan 8.150 nan 0.000 0.444 197 K N 1.146 121.709 120.400 0.272 0.000 2.230 197 K HA 0.390 4.709 4.320 -0.001 0.000 0.219 197 K C 1.656 178.422 176.600 0.277 0.000 1.033 197 K CA 0.655 57.096 56.287 0.258 0.000 0.937 197 K CB -0.794 31.884 32.500 0.296 0.000 1.018 197 K HN 0.196 nan 8.250 nan 0.000 0.463 198 Y N -0.005 120.448 120.300 0.254 0.000 2.163 198 Y HA -0.055 4.494 4.550 -0.001 0.000 0.288 198 Y C 1.991 177.978 175.900 0.146 0.000 1.136 198 Y CA 1.979 60.166 58.100 0.144 0.000 1.147 198 Y CB -0.346 38.072 38.460 -0.071 0.000 0.987 198 Y HN 0.203 nan 8.280 nan 0.000 0.509 199 F N -0.521 119.513 119.950 0.141 0.000 2.113 199 F HA -0.166 4.361 4.527 0.000 0.000 0.297 199 F C 2.146 177.923 175.800 -0.039 0.000 1.103 199 F CA 1.617 59.649 58.000 0.052 0.000 1.248 199 F CB -0.837 38.205 39.000 0.072 0.000 0.999 199 F HN -0.129 nan 8.300 nan 0.000 0.475 200 V N 0.621 120.521 119.914 -0.023 0.000 2.295 200 V HA -0.310 3.809 4.120 -0.001 0.000 0.246 200 V C 2.139 178.078 176.094 -0.259 0.000 1.049 200 V CA 2.276 64.453 62.300 -0.205 0.000 1.024 200 V CB -0.695 31.134 31.823 0.009 0.000 0.648 200 V HN 0.285 nan 8.190 nan 0.000 0.447 201 D N -0.275 120.014 120.400 -0.186 0.000 2.087 201 D HA -0.161 4.479 4.640 -0.001 0.000 0.192 201 D C 2.305 178.371 176.300 -0.389 0.000 0.993 201 D CA 1.271 55.132 54.000 -0.233 0.000 0.828 201 D CB -0.280 40.407 40.800 -0.188 0.000 0.968 201 D HN 0.373 nan 8.370 nan 0.000 0.448 202 E N 0.129 120.021 120.200 -0.514 0.000 2.118 202 E HA -0.148 4.201 4.350 -0.001 0.000 0.195 202 E C 2.241 178.415 176.600 -0.711 0.000 0.992 202 E CA 0.299 56.280 56.400 -0.699 0.000 0.804 202 E CB -0.374 28.980 29.700 -0.577 0.000 0.741 202 E HN 0.257 nan 8.360 nan 0.000 0.458 203 L N 1.168 122.109 121.223 -0.470 0.000 2.044 203 L HA -0.118 4.221 4.340 -0.001 0.000 0.205 203 L C 2.279 178.965 176.870 -0.307 0.000 1.075 203 L CA 2.148 56.788 54.840 -0.335 0.000 0.747 203 L CB -0.670 41.036 42.059 -0.588 0.000 0.903 203 L HN 0.049 nan 8.230 nan 0.000 0.435 204 S N -1.819 113.658 115.700 -0.372 0.000 2.423 204 S HA -0.188 4.281 4.470 -0.001 0.000 0.231 204 S C 1.942 176.387 174.600 -0.259 0.000 1.014 204 S CA 1.324 59.317 58.200 -0.345 0.000 0.965 204 S CB -1.517 61.428 63.200 -0.425 0.000 0.785 204 S HN 0.714 nan 8.310 nan 0.000 0.495 205 T N -1.520 112.842 114.554 -0.321 0.000 2.937 205 T HA 0.026 4.375 4.350 -0.001 0.000 0.260 205 T C 1.634 176.187 174.700 -0.245 0.000 1.051 205 T CA 0.476 62.402 62.100 -0.291 0.000 1.141 205 T CB -0.692 67.958 68.868 -0.364 0.000 0.879 205 T HN 0.285 nan 8.240 nan 0.000 0.459 206 Y N 1.841 121.958 120.300 -0.304 0.000 2.097 206 Y HA 0.013 4.562 4.550 -0.002 0.000 0.282 206 Y C 2.548 178.283 175.900 -0.276 0.000 1.152 206 Y CA 0.112 58.015 58.100 -0.330 0.000 1.136 206 Y CB -0.756 37.422 38.460 -0.470 0.000 0.975 206 Y HN 0.166 nan 8.280 nan 0.000 0.498 207 I N 0.110 120.602 120.570 -0.129 0.000 2.142 207 I HA -0.287 3.882 4.170 -0.001 0.000 0.240 207 I C 2.286 178.324 176.117 -0.131 0.000 1.078 207 I CA 1.806 62.975 61.300 -0.219 0.000 1.343 207 I CB -1.562 36.207 38.000 -0.385 0.000 1.046 207 I HN 0.198 nan 8.210 nan 0.000 0.405 208 D N 0.674 121.014 120.400 -0.101 0.000 2.149 208 D HA -0.269 4.370 4.640 -0.001 0.000 0.194 208 D C 1.869 178.137 176.300 -0.053 0.000 1.001 208 D CA 1.709 55.671 54.000 -0.064 0.000 0.849 208 D CB 0.009 40.761 40.800 -0.080 0.000 0.939 208 D HN 0.413 nan 8.370 nan 0.000 0.449 209 Q N -1.597 118.166 119.800 -0.062 0.000 2.198 209 Q HA 0.309 4.648 4.340 -0.001 0.000 0.209 209 Q C 0.996 176.970 176.000 -0.043 0.000 0.848 209 Q CA 0.322 56.097 55.803 -0.046 0.000 0.974 209 Q CB 0.969 29.677 28.738 -0.050 0.000 1.115 209 Q HN 0.381 nan 8.270 nan 0.000 0.494 210 G N 1.739 110.503 108.800 -0.059 0.000 2.187 210 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.261 210 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.261 210 G C -0.136 174.718 174.900 -0.077 0.000 1.000 210 G CA 0.227 45.285 45.100 -0.071 0.000 0.718 210 G HN 0.234 nan 8.290 nan 0.000 0.519 211 K N 0.169 120.529 120.400 -0.067 0.000 2.447 211 K HA 0.225 4.544 4.320 -0.001 0.000 0.281 211 K C 0.445 176.930 176.600 -0.193 0.000 1.031 211 K CA 0.377 56.612 56.287 -0.086 0.000 1.019 211 K CB 0.477 32.993 32.500 0.026 0.000 0.918 211 K HN 0.184 nan 8.250 nan 0.000 0.476 212 K N 3.472 123.760 120.400 -0.188 0.000 2.240 212 K HA 0.398 4.717 4.320 -0.001 0.000 0.271 212 K C -0.653 175.781 176.600 -0.277 0.000 1.018 212 K CA -0.242 55.915 56.287 -0.216 0.000 0.874 212 K CB 0.777 33.193 32.500 -0.140 0.000 1.098 212 K HN 0.481 nan 8.250 nan 0.000 0.458 213 I N 2.213 122.565 120.570 -0.363 0.000 2.722 213 I HA 0.293 4.462 4.170 -0.001 0.000 0.295 213 I C -0.385 175.554 176.117 -0.297 0.000 1.161 213 I CA -0.528 60.544 61.300 -0.381 0.000 1.032 213 I CB 2.080 39.652 38.000 -0.714 0.000 1.244 213 I HN 0.704 nan 8.210 nan 0.000 0.421 214 T N 1.137 115.569 114.554 -0.203 0.000 2.868 214 T HA 0.270 4.619 4.350 -0.001 0.000 0.292 214 T C 1.025 175.673 174.700 -0.086 0.000 1.028 214 T CA 0.103 62.088 62.100 -0.192 0.000 1.059 214 T CB 0.823 69.627 68.868 -0.107 0.000 0.991 214 T HN 0.693 nan 8.240 nan 0.000 0.531 215 H N 0.650 119.747 119.070 0.046 0.000 2.352 215 H HA -0.074 4.481 4.556 -0.001 0.000 0.299 215 H C 2.624 177.995 175.328 0.071 0.000 1.097 215 H CA 1.777 57.879 56.048 0.090 0.000 1.311 215 H CB -0.001 29.791 29.762 0.050 0.000 1.377 215 H HN 0.776 nan 8.280 nan 0.000 0.504 216 S N 0.396 116.179 115.700 0.138 0.000 2.406 216 S HA -0.145 4.324 4.470 -0.001 0.000 0.228 216 S C 1.965 176.602 174.600 0.063 0.000 1.020 216 S CA 1.145 59.388 58.200 0.071 0.000 0.965 216 S CB 0.057 63.279 63.200 0.036 0.000 0.798 216 S HN 0.358 nan 8.310 nan 0.000 0.488 217 K N 0.037 120.479 120.400 0.069 0.000 2.044 217 K HA 0.026 4.345 4.320 -0.001 0.000 0.204 217 K C 1.959 178.656 176.600 0.161 0.000 1.049 217 K CA 0.926 57.252 56.287 0.065 0.000 0.945 217 K CB -0.373 32.130 32.500 0.004 0.000 0.724 217 K HN 0.284 nan 8.250 nan 0.000 0.440 218 F N 1.636 121.582 119.950 -0.006 0.000 2.161 218 F HA -0.153 4.375 4.527 0.001 0.000 0.300 218 F C 2.360 178.224 175.800 0.106 0.000 1.089 218 F CA 1.575 59.610 58.000 0.058 0.000 1.282 218 F CB -0.884 38.157 39.000 0.068 0.000 1.010 218 F HN 0.079 nan 8.300 nan 0.000 0.485 219 S N -0.398 115.399 115.700 0.162 0.000 2.414 219 S HA -0.117 4.352 4.470 -0.001 0.000 0.227 219 S C 1.713 176.275 174.600 -0.062 0.000 1.022 219 S CA 1.235 59.413 58.200 -0.036 0.000 0.958 219 S CB -0.333 62.828 63.200 -0.065 0.000 0.797 219 S HN 0.353 nan 8.310 nan 0.000 0.493 220 D N 1.322 121.725 120.400 0.006 0.000 2.117 220 D HA -0.037 4.603 4.640 -0.001 0.000 0.198 220 D C 1.367 177.693 176.300 0.043 0.000 0.982 220 D CA 0.637 54.630 54.000 -0.011 0.000 0.828 220 D CB -0.623 40.188 40.800 0.018 0.000 0.967 220 D HN 0.654 nan 8.370 nan 0.000 0.464 224 S N 0.785 116.580 115.700 0.157 0.000 2.527 224 S HA -0.023 4.446 4.470 -0.001 0.000 0.222 224 S C 1.784 176.485 174.600 0.169 0.000 0.985 224 S CA 0.395 58.696 58.200 0.167 0.000 0.921 224 S CB 0.103 63.367 63.200 0.106 0.000 0.772 224 S HN 0.278 nan 8.310 nan 0.000 0.529 225 L N 1.477 122.787 121.223 0.144 0.000 2.261 225 L HA 0.171 4.510 4.340 -0.001 0.000 0.216 225 L C 1.867 178.840 176.870 0.173 0.000 1.114 225 L CA 1.258 56.058 54.840 -0.067 0.000 0.777 225 L CB -0.460 41.380 42.059 -0.365 0.000 0.910 225 L HN 0.495 nan 8.230 nan 0.000 0.440 226 I N -1.232 119.569 120.570 0.386 0.000 2.761 226 I HA -0.171 3.999 4.170 -0.001 0.000 0.261 226 I C 1.148 177.431 176.117 0.277 0.000 1.198 226 I CA 0.918 62.459 61.300 0.401 0.000 1.482 226 I CB -0.143 38.031 38.000 0.290 0.000 1.100 226 I HN 0.266 nan 8.210 nan 0.000 0.445 227 D N 0.819 121.355 120.400 0.226 0.000 2.355 227 D HA -0.052 4.587 4.640 -0.001 0.000 0.218 227 D C 0.450 176.842 176.300 0.153 0.000 1.004 227 D CA 0.341 54.435 54.000 0.156 0.000 0.880 227 D CB -0.285 40.589 40.800 0.124 0.000 0.911 227 D HN 0.244 nan 8.370 nan 0.000 0.528 228 N N 1.847 120.661 118.700 0.190 0.000 2.719 228 N HA -0.015 4.724 4.740 -0.001 0.000 0.243 228 N C 0.914 176.584 175.510 0.266 0.000 1.104 228 N CA 0.037 53.180 53.050 0.156 0.000 0.981 228 N CB 0.552 39.064 38.487 0.040 0.000 1.290 228 N HN 0.028 nan 8.380 nan 0.000 0.513 229 E N 1.968 122.299 120.200 0.218 0.000 2.049 229 E HA -0.220 4.130 4.350 -0.001 0.000 0.198 229 E C 1.231 177.961 176.600 0.216 0.000 1.007 229 E CA 1.611 58.149 56.400 0.230 0.000 0.809 229 E CB 0.069 29.840 29.700 0.117 0.000 0.749 229 E HN 0.708 nan 8.360 nan 0.000 0.450 230 A N 0.284 123.180 122.820 0.127 0.000 2.178 230 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 230 A C 1.793 179.389 177.584 0.020 0.000 1.157 230 A CA 0.692 52.767 52.037 0.063 0.000 0.689 230 A CB -0.621 18.408 19.000 0.048 0.000 0.787 230 A HN 0.380 nan 8.150 nan 0.000 0.465 231 F N -0.477 119.400 119.950 -0.122 0.000 2.146 231 F HA -0.052 4.474 4.527 -0.002 0.000 0.298 231 F C 1.442 177.028 175.800 -0.356 0.000 1.096 231 F CA 1.315 59.129 58.000 -0.311 0.000 1.275 231 F CB -0.237 38.416 39.000 -0.578 0.000 1.008 231 F HN 0.200 nan 8.300 nan 0.000 0.480 232 F N 0.378 120.291 119.950 -0.063 0.000 2.802 232 F HA 0.046 4.572 4.527 -0.001 0.000 0.300 232 F C 1.970 177.650 175.800 -0.201 0.000 1.168 232 F CA 0.664 58.568 58.000 -0.161 0.000 1.433 232 F CB -0.496 38.458 39.000 -0.076 0.000 1.115 232 F HN 0.115 nan 8.300 nan 0.000 0.582 233 Q N -0.999 118.755 119.800 -0.075 0.000 2.317 233 Q HA 0.047 4.387 4.340 -0.001 0.000 0.220 233 Q C 0.988 176.916 176.000 -0.120 0.000 0.873 233 Q CA -0.004 55.760 55.803 -0.064 0.000 0.936 233 Q CB 0.529 29.258 28.738 -0.015 0.000 1.105 233 Q HN 0.176 nan 8.270 nan 0.000 0.520 234 T N 0.027 114.453 114.554 -0.213 0.000 2.871 234 T HA -0.015 4.335 4.350 -0.001 0.000 0.296 234 T C 0.840 175.443 174.700 -0.161 0.000 0.998 234 T CA 0.044 62.026 62.100 -0.197 0.000 1.162 234 T CB 0.643 69.348 68.868 -0.272 0.000 0.947 234 T HN -0.014 nan 8.240 nan 0.000 0.536 235 K N 2.839 123.176 120.400 -0.104 0.000 2.283 235 K HA -0.033 4.286 4.320 -0.001 0.000 0.202 235 K C 2.495 179.048 176.600 -0.077 0.000 1.048 235 K CA 1.411 57.651 56.287 -0.079 0.000 0.948 235 K CB -0.125 32.343 32.500 -0.055 0.000 0.742 235 K HN 0.810 nan 8.250 nan 0.000 0.458 236 S N 0.067 115.716 115.700 -0.085 0.000 2.474 236 S HA -0.054 4.415 4.470 -0.001 0.000 0.235 236 S C 1.725 176.282 174.600 -0.071 0.000 0.997 236 S CA 0.764 58.925 58.200 -0.065 0.000 0.949 236 S CB -0.272 62.894 63.200 -0.057 0.000 0.766 236 S HN 0.193 nan 8.310 nan 0.000 0.517 237 L N -0.028 121.128 121.223 -0.112 0.000 2.354 237 L HA 0.287 4.627 4.340 -0.001 0.000 0.212 237 L C 0.609 177.429 176.870 -0.083 0.000 1.091 237 L CA 0.163 54.933 54.840 -0.116 0.000 0.828 237 L CB -0.363 41.560 42.059 -0.227 0.000 0.973 237 L HN 0.192 nan 8.230 nan 0.000 0.461 238 K N 0.316 120.666 120.400 -0.083 0.000 3.181 238 K HA -0.163 4.157 4.320 -0.001 0.000 0.269 238 K C 0.202 176.757 176.600 -0.075 0.000 1.097 238 K CA 0.103 56.350 56.287 -0.066 0.000 0.783 238 K CB -1.601 30.870 32.500 -0.048 0.000 1.267 238 K HN 0.251 nan 8.250 nan 0.000 0.484 239 L N -1.138 120.035 121.223 -0.084 0.000 2.857 239 L HA 0.130 4.469 4.340 -0.001 0.000 0.249 239 L C 2.085 178.898 176.870 -0.094 0.000 1.172 239 L CA 0.332 55.114 54.840 -0.097 0.000 0.980 239 L CB 0.584 42.601 42.059 -0.070 0.000 1.299 239 L HN 0.483 nan 8.230 nan 0.000 0.535 240 G N 0.639 109.394 108.800 -0.074 0.000 2.499 240 G HA2 -0.263 3.697 3.960 -0.001 0.000 0.221 240 G HA3 -0.263 3.697 3.960 -0.001 0.000 0.221 240 G C 1.049 175.915 174.900 -0.057 0.000 1.109 240 G CA 1.138 46.203 45.100 -0.058 0.000 0.749 240 G HN 0.580 nan 8.290 nan 0.000 0.568 241 D N -0.420 119.937 120.400 -0.072 0.000 2.360 241 D HA 0.031 4.670 4.640 -0.001 0.000 0.210 241 D C 0.649 176.907 176.300 -0.069 0.000 1.047 241 D CA -0.299 53.667 54.000 -0.058 0.000 0.854 241 D CB 0.256 41.023 40.800 -0.055 0.000 0.936 241 D HN 0.096 nan 8.370 nan 0.000 0.514 242 I N 2.568 123.054 120.570 -0.140 0.000 2.337 242 I HA 0.066 4.235 4.170 -0.001 0.000 0.291 242 I C 0.329 176.376 176.117 -0.116 0.000 1.046 242 I CA -0.871 60.277 61.300 -0.253 0.000 1.324 242 I CB 0.576 38.313 38.000 -0.439 0.000 1.409 242 I HN -0.135 nan 8.210 nan 0.000 0.494 243 D N 6.816 127.255 120.400 0.065 0.000 2.348 243 D HA 0.029 4.669 4.640 -0.001 0.000 0.259 243 D C 0.885 177.222 176.300 0.062 0.000 1.296 243 D CA -0.228 53.828 54.000 0.094 0.000 0.931 243 D CB 0.754 41.640 40.800 0.144 0.000 1.067 243 D HN 0.236 nan 8.370 nan 0.000 0.503 244 L N 3.171 124.356 121.223 -0.064 0.000 2.549 244 L HA -0.029 4.310 4.340 -0.001 0.000 0.229 244 L C 1.746 178.560 176.870 -0.092 0.000 1.158 244 L CA 0.873 55.613 54.840 -0.166 0.000 0.842 244 L CB -0.293 41.653 42.059 -0.189 0.000 0.952 244 L HN 0.370 nan 8.230 nan 0.000 0.452 245 D N -0.754 119.632 120.400 -0.024 0.000 2.348 245 D HA -0.017 4.623 4.640 -0.001 0.000 0.211 245 D C 1.276 177.578 176.300 0.004 0.000 0.998 245 D CA 0.560 54.551 54.000 -0.015 0.000 0.873 245 D CB 0.353 41.144 40.800 -0.015 0.000 0.925 245 D HN 0.457 nan 8.370 nan 0.000 0.524 246 Q N 0.049 119.874 119.800 0.042 0.000 2.157 246 Q HA 0.176 4.516 4.340 -0.001 0.000 0.229 246 Q C -0.480 175.596 176.000 0.126 0.000 0.827 246 Q CA -0.308 55.520 55.803 0.040 0.000 1.055 246 Q CB 1.410 30.110 28.738 -0.064 0.000 1.157 246 Q HN 0.014 nan 8.270 nan 0.000 0.482 247 L N 1.535 122.806 121.223 0.080 0.000 2.282 247 L HA 0.381 4.720 4.340 -0.001 0.000 0.288 247 L C -0.585 176.298 176.870 0.021 0.000 1.033 247 L CA 0.145 55.005 54.840 0.032 0.000 0.807 247 L CB 0.902 42.819 42.059 -0.236 0.000 1.209 247 L HN -0.096 nan 8.230 nan 0.000 0.423 248 E N 2.789 123.048 120.200 0.099 0.000 2.416 248 E HA 0.270 4.619 4.350 -0.001 0.000 0.273 248 E C -1.600 175.058 176.600 0.096 0.000 0.935 248 E CA -0.470 55.994 56.400 0.106 0.000 0.784 248 E CB 1.198 30.983 29.700 0.142 0.000 1.301 248 E HN 0.490 nan 8.360 nan 0.000 0.454 249 W N 0.207 121.546 121.300 0.066 0.000 2.251 249 W HA 0.143 4.803 4.660 -0.002 0.000 0.329 249 W C 1.291 177.786 176.519 -0.040 0.000 1.234 249 W CA -0.536 56.723 57.345 -0.145 0.000 1.228 249 W CB 0.670 29.993 29.460 -0.228 0.000 1.135 249 W HN 0.497 nan 8.180 nan 0.000 0.576 250 C N 1.217 120.646 119.300 0.215 0.000 2.492 250 C HA 0.041 4.500 4.460 -0.001 0.000 0.279 250 C C 0.062 175.207 174.990 0.259 0.000 1.335 250 C CA 0.511 59.704 59.018 0.293 0.000 1.734 250 C CB -1.216 26.725 27.740 0.336 0.000 2.027 250 C HN 0.611 nan 8.230 nan 0.000 0.496 251 Y N -3.277 117.015 120.300 -0.014 0.000 2.788 251 Y HA 0.476 5.026 4.550 -0.001 0.000 0.335 251 Y C -0.535 175.238 175.900 -0.211 0.000 1.287 251 Y CA -1.299 56.722 58.100 -0.131 0.000 1.068 251 Y CB -0.109 38.200 38.460 -0.252 0.000 1.340 251 Y HN -0.338 nan 8.280 nan 0.000 0.449 252 T N 3.909 118.375 114.554 -0.147 0.000 2.794 252 T HA 0.375 4.724 4.350 -0.001 0.000 0.296 252 T C -2.663 171.822 174.700 -0.357 0.000 0.949 252 T CA -0.986 60.885 62.100 -0.382 0.000 1.101 252 T CB 0.555 69.290 68.868 -0.222 0.000 0.905 252 T HN 0.324 nan 8.240 nan 0.000 0.516 253 P HA 0.111 nan 4.420 nan 0.000 0.264 253 P C -0.546 176.652 177.300 -0.170 0.000 1.183 253 P CA 0.067 62.900 63.100 -0.445 0.000 0.763 253 P CB 0.248 31.635 31.700 -0.521 0.000 0.807 254 I N 4.333 124.888 120.570 -0.024 0.000 2.312 254 I HA 0.338 4.507 4.170 -0.001 0.000 0.290 254 I C 0.270 176.345 176.117 -0.071 0.000 1.008 254 I CA -0.199 61.097 61.300 -0.006 0.000 1.226 254 I CB 0.462 38.501 38.000 0.064 0.000 1.371 254 I HN 0.108 nan 8.210 nan 0.000 0.468 255 I N 6.629 127.147 120.570 -0.088 0.000 2.436 255 I HA 0.428 4.597 4.170 -0.001 0.000 0.289 255 I C -0.613 175.364 176.117 -0.233 0.000 1.010 255 I CA -0.531 60.714 61.300 -0.092 0.000 1.098 255 I CB 1.709 39.688 38.000 -0.036 0.000 1.266 255 I HN 0.547 nan 8.210 nan 0.000 0.434 256 Q N 4.545 124.233 119.800 -0.186 0.000 2.389 256 Q HA 0.758 5.098 4.340 -0.001 0.000 0.277 256 Q C -1.066 174.856 176.000 -0.130 0.000 1.082 256 Q CA -0.829 54.768 55.803 -0.342 0.000 0.810 256 Q CB 3.082 31.781 28.738 -0.064 0.000 1.374 256 Q HN 0.825 nan 8.270 nan 0.000 0.422 257 S N -1.337 114.180 115.700 -0.304 0.000 2.656 257 S HA 0.644 5.113 4.470 -0.001 0.000 0.265 257 S C 0.168 174.738 174.600 -0.051 0.000 1.132 257 S CA -0.116 58.123 58.200 0.064 0.000 0.819 257 S CB 0.923 64.325 63.200 0.337 0.000 1.119 257 S HN 1.299 nan 8.310 nan 0.000 0.476 258 G N -0.263 108.623 108.800 0.143 0.000 2.198 258 G HA2 0.273 4.232 3.960 -0.001 0.000 0.260 258 G HA3 0.273 4.232 3.960 -0.001 0.000 0.260 258 G C 1.544 176.433 174.900 -0.018 0.000 1.025 258 G CA 1.169 46.309 45.100 0.066 0.000 0.769 258 G HN 2.608 nan 8.290 nan 0.000 0.507 259 G N -2.204 106.596 108.800 0.000 0.000 2.201 259 G HA2 0.133 4.092 3.960 -0.001 0.000 0.212 259 G HA3 0.133 4.092 3.960 -0.001 0.000 0.212 259 G C 0.356 175.241 174.900 -0.025 0.000 0.994 259 G CA 1.126 46.313 45.100 0.144 0.000 0.644 259 G HN 2.147 nan 8.290 nan 0.000 0.508 260 S N 0.303 115.721 115.700 -0.470 0.000 2.566 260 S HA 0.815 5.284 4.470 -0.001 0.000 0.324 260 S C -0.805 173.417 174.600 -0.631 0.000 1.081 260 S CA -0.583 57.413 58.200 -0.341 0.000 1.105 260 S CB 0.514 63.607 63.200 -0.178 0.000 0.981 260 S HN 0.446 nan 8.310 nan 0.000 0.464 261 Y N 1.827 122.147 120.300 0.034 0.000 2.553 261 Y HA 0.617 5.166 4.550 -0.001 0.000 0.347 261 Y C -0.360 175.546 175.900 0.011 0.000 1.019 261 Y CA -1.127 56.987 58.100 0.024 0.000 1.032 261 Y CB 1.782 40.272 38.460 0.049 0.000 1.284 261 Y HN 0.507 nan 8.280 nan 0.000 0.466 262 D N 1.982 122.477 120.400 0.160 0.000 2.602 262 D HA 0.316 4.956 4.640 -0.001 0.000 0.245 262 D C -0.445 175.892 176.300 0.061 0.000 1.325 262 D CA -0.249 53.797 54.000 0.078 0.000 0.952 262 D CB 1.499 42.316 40.800 0.029 0.000 1.317 262 D HN 0.646 nan 8.370 nan 0.000 0.577 263 L N 2.257 123.503 121.223 0.039 0.000 2.592 263 L HA 0.186 4.525 4.340 -0.001 0.000 0.227 263 L C 1.004 177.861 176.870 -0.022 0.000 1.127 263 L CA 0.225 55.070 54.840 0.008 0.000 0.884 263 L CB -0.028 42.020 42.059 -0.018 0.000 1.065 263 L HN 0.040 nan 8.230 nan 0.000 0.457 264 K N 1.064 121.451 120.400 -0.022 0.000 2.237 264 K HA 0.142 4.461 4.320 -0.001 0.000 0.270 264 K C -1.563 175.008 176.600 -0.049 0.000 1.015 264 K CA -1.516 54.749 56.287 -0.038 0.000 0.949 264 K CB 0.861 33.340 32.500 -0.035 0.000 0.976 264 K HN -0.224 nan 8.250 nan 0.000 0.472 265 P HA -0.073 nan 4.420 nan 0.000 0.236 265 P C 0.628 177.834 177.300 -0.157 0.000 1.177 265 P CA 0.611 63.648 63.100 -0.105 0.000 0.773 265 P CB 0.218 31.891 31.700 -0.045 0.000 0.878 266 S N -1.178 114.465 115.700 -0.096 0.000 2.607 266 S HA 0.247 4.717 4.470 -0.001 0.000 0.224 266 S C 1.139 175.697 174.600 -0.070 0.000 0.969 266 S CA -0.214 57.936 58.200 -0.084 0.000 0.927 266 S CB -1.038 62.131 63.200 -0.051 0.000 0.772 266 S HN 0.163 nan 8.310 nan 0.000 0.533 267 A N 1.802 124.582 122.820 -0.066 0.000 2.565 267 A HA 0.397 4.716 4.320 -0.001 0.000 0.237 267 A C 0.145 177.703 177.584 -0.043 0.000 1.053 267 A CA 0.061 52.073 52.037 -0.043 0.000 0.755 267 A CB -0.402 18.581 19.000 -0.029 0.000 0.980 267 A HN 0.602 nan 8.150 nan 0.000 0.506 268 I N 2.529 123.081 120.570 -0.030 0.000 2.339 268 I HA 0.159 4.329 4.170 -0.001 0.000 0.290 268 I C 0.441 176.548 176.117 -0.017 0.000 0.994 268 I CA -0.316 60.970 61.300 -0.023 0.000 1.191 268 I CB 1.580 39.568 38.000 -0.019 0.000 1.343 268 I HN 0.602 nan 8.210 nan 0.000 0.458 269 T N 5.062 119.607 114.554 -0.015 0.000 2.908 269 T HA 0.042 4.391 4.350 -0.001 0.000 0.301 269 T C 0.012 174.727 174.700 0.025 0.000 1.019 269 T CA -0.152 61.947 62.100 -0.002 0.000 1.152 269 T CB 0.182 69.050 68.868 -0.000 0.000 0.966 269 T HN 0.688 nan 8.240 nan 0.000 0.540 270 D N 1.127 121.563 120.400 0.060 0.000 2.564 270 D HA 0.292 4.931 4.640 -0.001 0.000 0.273 270 D C -0.031 176.329 176.300 0.100 0.000 1.192 270 D CA -0.885 53.158 54.000 0.072 0.000 1.080 270 D CB 0.586 41.425 40.800 0.064 0.000 1.160 270 D HN 0.215 nan 8.370 nan 0.000 0.607 271 D N -1.465 118.966 120.400 0.051 0.000 2.424 271 D HA 0.149 4.788 4.640 -0.001 0.000 0.220 271 D C -0.044 176.235 176.300 -0.035 0.000 1.150 271 D CA -0.217 53.787 54.000 0.007 0.000 0.831 271 D CB 0.275 41.072 40.800 -0.004 0.000 0.981 271 D HN 0.218 nan 8.370 nan 0.000 0.500 272 R N 0.784 121.269 120.500 -0.025 0.000 2.500 272 R HA 0.284 4.624 4.340 -0.001 0.000 0.275 272 R C 0.240 176.346 176.300 -0.324 0.000 1.051 272 R CA -0.694 55.346 56.100 -0.099 0.000 1.088 272 R CB 0.710 31.004 30.300 -0.009 0.000 1.063 272 R HN -0.141 nan 8.270 nan 0.000 0.511 273 N N 1.584 120.132 118.700 -0.253 0.000 2.492 273 N HA -0.024 4.715 4.740 -0.001 0.000 0.262 273 N C -0.360 174.902 175.510 -0.413 0.000 1.202 273 N CA -0.178 52.694 53.050 -0.298 0.000 0.926 273 N CB 0.382 38.774 38.487 -0.158 0.000 1.078 273 N HN 0.311 nan 8.380 nan 0.000 0.454 274 L N 3.072 124.030 121.223 -0.441 0.000 2.540 274 L HA 0.033 4.373 4.340 -0.001 0.000 0.276 274 L C 0.133 176.989 176.870 -0.023 0.000 1.212 274 L CA 0.701 55.442 54.840 -0.165 0.000 0.893 274 L CB 0.034 42.054 42.059 -0.065 0.000 1.138 274 L HN 0.503 nan 8.230 nan 0.000 0.491 275 H N 3.618 122.686 119.070 -0.004 0.000 2.589 275 H HA 0.384 4.940 4.556 -0.001 0.000 0.351 275 H C -0.300 174.962 175.328 -0.109 0.000 1.074 275 H CA -0.337 55.679 56.048 -0.052 0.000 1.203 275 H CB 1.820 31.582 29.762 -0.000 0.000 1.558 275 H HN 0.783 nan 8.280 nan 0.000 0.522 276 G N 3.916 112.348 108.800 -0.613 0.000 2.985 276 G HA2 0.108 4.068 3.960 -0.001 0.000 0.282 276 G HA3 0.108 4.068 3.960 -0.001 0.000 0.282 276 G C -0.060 174.657 174.900 -0.304 0.000 0.791 276 G CA -0.243 44.365 45.100 -0.820 0.000 1.934 276 G HN 0.711 nan 8.290 nan 0.000 0.563 277 D N 0.402 120.871 120.400 0.116 0.000 3.074 277 D HA 0.114 4.753 4.640 -0.001 0.000 0.227 277 D C 0.259 176.792 176.300 0.389 0.000 1.553 277 D CA 0.020 54.212 54.000 0.320 0.000 1.347 277 D CB 0.463 41.490 40.800 0.378 0.000 1.021 277 D HN 0.094 nan 8.370 nan 0.000 0.260 278 V N 1.518 121.661 119.914 0.383 0.000 2.376 278 V HA 0.524 4.644 4.120 -0.001 0.000 0.287 278 V C -0.690 175.692 176.094 0.481 0.000 1.015 278 V CA -0.853 61.664 62.300 0.361 0.000 0.834 278 V CB 1.862 33.810 31.823 0.208 0.000 1.001 278 V HN 0.197 nan 8.190 nan 0.000 0.428 279 V N 6.423 126.643 119.914 0.509 0.000 2.417 279 V HA 0.542 4.662 4.120 -0.001 0.000 0.291 279 V C -0.501 175.884 176.094 0.484 0.000 1.024 279 V CA -0.601 62.024 62.300 0.542 0.000 0.861 279 V CB 1.719 33.932 31.823 0.650 0.000 0.985 279 V HN 0.554 nan 8.190 nan 0.000 0.436 280 L N 4.581 126.043 121.223 0.399 0.000 2.341 280 L HA 0.697 5.036 4.340 -0.001 0.000 0.278 280 L C -0.468 176.504 176.870 0.171 0.000 1.005 280 L CA 0.034 55.031 54.840 0.262 0.000 0.818 280 L CB 1.611 43.819 42.059 0.249 0.000 1.259 280 L HN 0.841 nan 8.230 nan 0.000 0.418 281 C N 2.051 121.394 119.300 0.072 0.000 2.551 281 C HA 0.839 5.299 4.460 -0.001 0.000 0.332 281 C C -0.693 174.247 174.990 -0.083 0.000 1.139 281 C CA -0.326 58.605 59.018 -0.145 0.000 1.328 281 C CB 1.108 28.440 27.740 -0.680 0.000 1.903 281 C HN 0.848 nan 8.230 nan 0.000 0.459 282 S N 4.765 120.443 115.700 -0.037 0.000 2.502 282 S HA 0.879 5.348 4.470 -0.001 0.000 0.304 282 S C -0.934 173.714 174.600 0.081 0.000 1.097 282 S CA -0.593 57.663 58.200 0.095 0.000 1.045 282 S CB 1.502 64.821 63.200 0.199 0.000 1.019 282 S HN 1.027 nan 8.310 nan 0.000 0.481 283 L N -0.336 120.942 121.223 0.091 0.000 2.518 283 L HA 1.094 5.434 4.340 -0.001 0.000 0.257 283 L C -0.517 176.391 176.870 0.063 0.000 0.980 283 L CA -0.517 54.280 54.840 -0.071 0.000 0.837 283 L CB 1.553 43.611 42.059 -0.001 0.000 1.410 283 L HN 0.737 nan 8.230 nan 0.000 0.410 284 G N 0.534 109.271 108.800 -0.105 0.000 2.759 284 G HA2 0.665 4.625 3.960 -0.001 0.000 0.297 284 G HA3 0.665 4.625 3.960 -0.001 0.000 0.297 284 G C -1.994 172.864 174.900 -0.070 0.000 1.434 284 G CA -0.529 44.633 45.100 0.103 0.000 0.980 284 G HN 0.499 nan 8.290 nan 0.000 0.531 285 F N 0.231 120.248 119.950 0.111 0.000 2.470 285 F HA 0.697 5.223 4.527 -0.002 0.000 0.329 285 F C 0.760 176.636 175.800 0.127 0.000 1.072 285 F CA -0.805 57.191 58.000 -0.005 0.000 0.989 285 F CB 2.483 41.383 39.000 -0.167 0.000 1.193 285 F HN 0.256 nan 8.300 nan 0.000 0.481 286 R N 2.436 123.138 120.500 0.336 0.000 2.337 286 R HA 0.279 4.618 4.340 -0.001 0.000 0.319 286 R C -2.013 174.473 176.300 0.311 0.000 0.954 286 R CA -0.641 55.649 56.100 0.316 0.000 0.840 286 R CB 0.728 31.210 30.300 0.304 0.000 1.164 286 R HN 0.669 nan 8.270 nan 0.000 0.472 287 Y N 4.438 124.828 120.300 0.150 0.000 2.342 287 Y HA 0.201 4.750 4.550 -0.001 0.000 0.338 287 Y C -0.184 175.803 175.900 0.145 0.000 0.965 287 Y CA -0.926 57.224 58.100 0.084 0.000 1.159 287 Y CB 0.885 39.357 38.460 0.019 0.000 1.157 287 Y HN 0.761 nan 8.280 nan 0.000 0.486 288 K N 3.718 123.988 120.400 -0.217 0.000 3.088 288 K HA -0.276 4.043 4.320 -0.001 0.000 0.273 288 K C 0.444 177.097 176.600 0.087 0.000 1.111 288 K CA 1.042 57.212 56.287 -0.196 0.000 0.803 288 K CB -1.640 30.600 32.500 -0.432 0.000 1.226 288 K HN 0.794 nan 8.250 nan 0.000 0.485 289 S N -3.108 112.654 115.700 0.104 0.000 2.709 289 S HA -0.181 4.289 4.470 -0.001 0.000 0.267 289 S C -0.486 174.060 174.600 -0.089 0.000 1.341 289 S CA 1.036 59.256 58.200 0.033 0.000 1.165 289 S CB -0.869 62.297 63.200 -0.057 0.000 1.432 289 S HN 0.414 nan 8.310 nan 0.000 0.678 290 Y N 1.038 121.397 120.300 0.099 0.000 2.331 290 Y HA 0.501 5.050 4.550 -0.001 0.000 0.338 290 Y C 0.948 176.948 175.900 0.166 0.000 0.992 290 Y CA -0.904 57.266 58.100 0.117 0.000 1.121 290 Y CB 0.751 39.260 38.460 0.081 0.000 1.184 290 Y HN 0.266 nan 8.280 nan 0.000 0.469 291 C N 2.485 121.935 119.300 0.250 0.000 2.520 291 C HA 0.750 5.209 4.460 -0.001 0.000 0.376 291 C C 0.428 175.561 174.990 0.238 0.000 1.268 291 C CA -0.517 58.660 59.018 0.264 0.000 2.414 291 C CB 0.237 28.117 27.740 0.233 0.000 2.521 291 C HN 0.951 nan 8.230 nan 0.000 0.618 292 S N 1.379 117.252 115.700 0.289 0.000 2.671 292 S HA 0.638 5.108 4.470 -0.001 0.000 0.277 292 S C -1.438 173.368 174.600 0.343 0.000 1.165 292 S CA -0.716 57.638 58.200 0.256 0.000 0.822 292 S CB 1.511 64.865 63.200 0.258 0.000 1.150 292 S HN 0.918 nan 8.310 nan 0.000 0.479 293 N N -0.509 118.359 118.700 0.281 0.000 2.446 293 N HA 0.558 5.297 4.740 -0.001 0.000 0.272 293 N C -2.311 173.347 175.510 0.246 0.000 1.127 293 N CA -0.429 52.824 53.050 0.337 0.000 0.896 293 N CB 2.282 40.975 38.487 0.344 0.000 1.658 293 N HN 0.612 nan 8.380 nan 0.000 0.483 294 V N 1.123 121.186 119.914 0.248 0.000 3.114 294 V HA 0.962 5.081 4.120 -0.001 0.000 0.308 294 V C -0.924 175.275 176.094 0.175 0.000 1.168 294 V CA -0.118 62.300 62.300 0.197 0.000 1.015 294 V CB 2.005 33.946 31.823 0.196 0.000 1.050 294 V HN 0.811 nan 8.190 nan 0.000 0.433 295 G N 4.155 113.038 108.800 0.138 0.000 2.766 295 G HA2 0.751 4.710 3.960 -0.001 0.000 0.297 295 G HA3 0.751 4.710 3.960 -0.001 0.000 0.297 295 G C -1.890 173.055 174.900 0.075 0.000 1.431 295 G CA -0.687 44.474 45.100 0.102 0.000 1.042 295 G HN 0.606 nan 8.290 nan 0.000 0.542 296 R N 0.111 120.634 120.500 0.038 0.000 2.774 296 R HA 0.750 5.089 4.340 -0.001 0.000 0.272 296 R C -0.977 175.218 176.300 -0.175 0.000 1.000 296 R CA -0.670 55.384 56.100 -0.077 0.000 0.906 296 R CB 1.984 32.205 30.300 -0.132 0.000 1.227 296 R HN 0.552 nan 8.270 nan 0.000 0.468 297 T N 1.881 116.248 114.554 -0.312 0.000 2.823 297 T HA 0.616 4.966 4.350 -0.001 0.000 0.279 297 T C -1.029 173.258 174.700 -0.689 0.000 0.998 297 T CA -0.383 61.540 62.100 -0.295 0.000 0.994 297 T CB 0.689 69.491 68.868 -0.110 0.000 0.960 297 T HN 0.264 nan 8.240 nan 0.000 0.448 298 Y N 1.885 122.224 120.300 0.065 0.000 2.361 298 Y HA 0.591 5.140 4.550 -0.000 0.000 0.337 298 Y C -0.280 175.606 175.900 -0.023 0.000 0.965 298 Y CA -1.175 56.938 58.100 0.022 0.000 1.091 298 Y CB 1.157 39.754 38.460 0.229 0.000 1.182 298 Y HN 0.383 nan 8.280 nan 0.000 0.450 299 L N 4.160 125.288 121.223 -0.159 0.000 2.317 299 L HA 0.580 4.919 4.340 -0.001 0.000 0.281 299 L C -1.257 175.370 176.870 -0.405 0.000 1.024 299 L CA -0.641 54.096 54.840 -0.173 0.000 0.810 299 L CB 1.148 43.050 42.059 -0.261 0.000 1.240 299 L HN 0.465 nan 8.230 nan 0.000 0.427 300 F N 1.480 121.429 119.950 -0.002 0.000 2.427 300 F HA 0.296 4.822 4.527 -0.001 0.000 0.348 300 F C 0.283 176.065 175.800 -0.031 0.000 1.125 300 F CA -0.986 57.013 58.000 -0.003 0.000 0.989 300 F CB 1.135 40.161 39.000 0.043 0.000 1.165 300 F HN 0.495 nan 8.300 nan 0.000 0.442 301 D N 2.354 122.765 120.400 0.019 0.000 2.704 301 D HA -0.151 4.489 4.640 -0.001 0.000 0.232 301 D C -2.322 174.060 176.300 0.136 0.000 1.183 301 D CA 0.283 54.375 54.000 0.154 0.000 0.647 301 D CB -0.744 40.207 40.800 0.251 0.000 1.013 301 D HN 0.209 nan 8.370 nan 0.000 0.415 302 P HA 0.080 nan 4.420 nan 0.000 0.275 302 P C 0.172 177.568 177.300 0.161 0.000 1.227 302 P CA -0.092 63.032 63.100 0.041 0.000 0.781 302 P CB 0.842 32.511 31.700 -0.053 0.000 0.906 303 D N 0.432 120.886 120.400 0.091 0.000 2.414 303 D HA 0.006 4.646 4.640 -0.001 0.000 0.251 303 D C 1.371 177.726 176.300 0.092 0.000 1.252 303 D CA -0.428 53.632 54.000 0.101 0.000 0.999 303 D CB -0.177 40.669 40.800 0.077 0.000 1.093 303 D HN 0.180 nan 8.370 nan 0.000 0.515 304 S N -1.095 114.655 115.700 0.083 0.000 2.383 304 S HA -0.192 4.277 4.470 -0.001 0.000 0.227 304 S C 1.604 176.246 174.600 0.070 0.000 1.026 304 S CA 1.312 59.557 58.200 0.075 0.000 0.981 304 S CB -0.449 62.783 63.200 0.055 0.000 0.818 304 S HN 0.532 nan 8.310 nan 0.000 0.472 305 E N 1.257 121.495 120.200 0.063 0.000 2.106 305 E HA -0.089 4.260 4.350 -0.001 0.000 0.192 305 E C 2.197 178.854 176.600 0.095 0.000 0.984 305 E CA 1.353 57.793 56.400 0.066 0.000 0.806 305 E CB -0.256 29.486 29.700 0.071 0.000 0.750 305 E HN 0.614 nan 8.360 nan 0.000 0.458 306 Q N -0.413 119.421 119.800 0.057 0.000 2.167 306 Q HA -0.149 4.190 4.340 -0.001 0.000 0.202 306 Q C 2.231 178.299 176.000 0.113 0.000 0.970 306 Q CA 1.249 57.059 55.803 0.013 0.000 0.855 306 Q CB -0.044 28.567 28.738 -0.212 0.000 0.911 306 Q HN 0.437 nan 8.270 nan 0.000 0.438 307 Q N 0.552 120.422 119.800 0.118 0.000 2.049 307 Q HA -0.088 4.251 4.340 -0.001 0.000 0.198 307 Q C 1.983 178.095 176.000 0.187 0.000 0.971 307 Q CA 0.782 56.688 55.803 0.171 0.000 0.833 307 Q CB 0.052 28.884 28.738 0.157 0.000 0.896 307 Q HN 0.251 nan 8.270 nan 0.000 0.434 308 K N 0.738 121.217 120.400 0.131 0.000 2.020 308 K HA -0.161 4.158 4.320 -0.001 0.000 0.212 308 K C 1.833 178.514 176.600 0.135 0.000 1.050 308 K CA 1.399 57.747 56.287 0.102 0.000 0.929 308 K CB -0.181 32.346 32.500 0.044 0.000 0.714 308 K HN 0.148 nan 8.250 nan 0.000 0.443 309 N N 0.413 119.200 118.700 0.145 0.000 2.120 309 N HA -0.189 4.550 4.740 -0.001 0.000 0.188 309 N C 1.704 177.392 175.510 0.296 0.000 1.024 309 N CA 1.172 54.330 53.050 0.179 0.000 0.852 309 N CB -0.504 38.096 38.487 0.189 0.000 1.003 309 N HN 0.255 nan 8.380 nan 0.000 0.424 310 Y N 1.615 122.027 120.300 0.187 0.000 2.200 310 Y HA -0.067 4.483 4.550 -0.001 0.000 0.290 310 Y C 2.373 178.358 175.900 0.142 0.000 1.137 310 Y CA 1.314 59.513 58.100 0.163 0.000 1.163 310 Y CB -0.447 38.069 38.460 0.094 0.000 0.988 310 Y HN -0.042 nan 8.280 nan 0.000 0.518 311 S N 0.300 116.028 115.700 0.046 0.000 2.368 311 S HA -0.205 4.264 4.470 -0.001 0.000 0.225 311 S C 1.777 176.360 174.600 -0.027 0.000 1.030 311 S CA 1.417 59.593 58.200 -0.039 0.000 0.999 311 S CB -0.879 62.372 63.200 0.084 0.000 0.844 311 S HN 0.584 nan 8.310 nan 0.000 0.459 312 F N 2.150 122.067 119.950 -0.055 0.000 2.161 312 F HA -0.072 4.455 4.527 -0.001 0.000 0.300 312 F C 1.829 177.622 175.800 -0.013 0.000 1.089 312 F CA 0.773 58.756 58.000 -0.028 0.000 1.282 312 F CB -0.432 38.562 39.000 -0.009 0.000 1.010 312 F HN 0.157 nan 8.300 nan 0.000 0.485 313 L N -0.396 120.824 121.223 -0.006 0.000 2.093 313 L HA -0.093 4.247 4.340 -0.001 0.000 0.208 313 L C 2.128 178.812 176.870 -0.310 0.000 1.085 313 L CA 1.460 56.243 54.840 -0.095 0.000 0.755 313 L CB -0.911 41.167 42.059 0.031 0.000 0.904 313 L HN 0.027 nan 8.230 nan 0.000 0.435 314 V N -0.086 119.593 119.914 -0.393 0.000 2.358 314 V HA -0.215 3.904 4.120 -0.001 0.000 0.246 314 V C 2.765 178.688 176.094 -0.285 0.000 1.047 314 V CA 1.447 63.534 62.300 -0.354 0.000 1.035 314 V CB -1.155 30.456 31.823 -0.353 0.000 0.658 314 V HN 0.585 nan 8.190 nan 0.000 0.452 315 A N -0.285 122.368 122.820 -0.279 0.000 1.873 315 A HA -0.136 4.183 4.320 -0.001 0.000 0.215 315 A C 2.223 179.591 177.584 -0.360 0.000 1.186 315 A CA 1.603 53.480 52.037 -0.268 0.000 0.616 315 A CB -0.546 18.317 19.000 -0.227 0.000 0.823 315 A HN 0.465 nan 8.150 nan 0.000 0.442 316 L N -0.753 120.180 121.223 -0.484 0.000 2.042 316 L HA -0.272 4.067 4.340 -0.001 0.000 0.210 316 L C 2.959 179.573 176.870 -0.427 0.000 1.076 316 L CA 2.003 56.553 54.840 -0.483 0.000 0.749 316 L CB -0.479 41.263 42.059 -0.529 0.000 0.893 316 L HN 0.617 nan 8.230 nan 0.000 0.432 317 Q N 0.308 119.841 119.800 -0.445 0.000 2.119 317 Q HA -0.215 4.124 4.340 -0.001 0.000 0.201 317 Q C 2.157 177.660 176.000 -0.828 0.000 0.972 317 Q CA 1.356 56.793 55.803 -0.610 0.000 0.847 317 Q CB 0.161 28.570 28.738 -0.547 0.000 0.903 317 Q HN 0.443 nan 8.270 nan 0.000 0.433 318 K N 0.072 120.163 120.400 -0.514 0.000 2.057 318 K HA -0.131 4.189 4.320 -0.001 0.000 0.207 318 K C 2.134 178.525 176.600 -0.348 0.000 1.049 318 K CA 1.004 57.103 56.287 -0.314 0.000 0.931 318 K CB 0.060 32.468 32.500 -0.153 0.000 0.714 318 K HN -0.020 nan 8.250 nan 0.000 0.440 319 K N 0.957 121.094 120.400 -0.438 0.000 2.097 319 K HA -0.123 4.196 4.320 -0.001 0.000 0.206 319 K C 2.065 178.136 176.600 -0.881 0.000 1.049 319 K CA 0.847 56.753 56.287 -0.634 0.000 0.933 319 K CB -0.389 31.791 32.500 -0.533 0.000 0.717 319 K HN 0.091 nan 8.250 nan 0.000 0.442 320 L N 0.272 121.143 121.223 -0.587 0.000 2.027 320 L HA -0.077 4.262 4.340 -0.001 0.000 0.206 320 L C 1.972 178.714 176.870 -0.214 0.000 1.074 320 L CA 1.610 56.224 54.840 -0.377 0.000 0.745 320 L CB -0.669 41.174 42.059 -0.360 0.000 0.898 320 L HN -0.056 nan 8.230 nan 0.000 0.433 321 F N 0.515 120.352 119.950 -0.189 0.000 2.171 321 F HA -0.173 4.353 4.527 -0.001 0.000 0.300 321 F C 2.641 178.357 175.800 -0.140 0.000 1.090 321 F CA 1.432 59.350 58.000 -0.136 0.000 1.293 321 F CB -1.108 37.816 39.000 -0.127 0.000 1.013 321 F HN 0.302 nan 8.300 nan 0.000 0.486 322 E N -0.629 119.526 120.200 -0.075 0.000 2.085 322 E HA -0.242 4.107 4.350 -0.001 0.000 0.194 322 E C 1.983 178.595 176.600 0.020 0.000 0.994 322 E CA 1.581 57.909 56.400 -0.119 0.000 0.801 322 E CB -0.333 29.163 29.700 -0.339 0.000 0.743 322 E HN 0.584 nan 8.360 nan 0.000 0.453 323 Y N -1.191 119.117 120.300 0.012 0.000 2.519 323 Y HA 0.060 4.609 4.550 -0.001 0.000 0.287 323 Y C 0.979 176.887 175.900 0.012 0.000 1.128 323 Y CA -0.753 57.348 58.100 0.002 0.000 1.282 323 Y CB 0.473 38.924 38.460 -0.016 0.000 1.027 323 Y HN 0.050 nan 8.280 nan 0.000 0.551 324 C N 3.787 123.186 119.300 0.165 0.000 2.400 324 C HA 0.243 4.702 4.460 -0.001 0.000 0.457 324 C C 0.655 175.683 174.990 0.063 0.000 1.020 324 C CA -0.549 58.531 59.018 0.103 0.000 1.258 324 C CB -2.513 25.286 27.740 0.098 0.000 1.532 324 C HN 0.346 nan 8.230 nan 0.000 0.537 325 R N 0.653 121.189 120.500 0.060 0.000 2.836 325 R HA 0.440 4.780 4.340 -0.001 0.000 0.269 325 R C -0.838 175.478 176.300 0.026 0.000 1.010 325 R CA -0.709 55.412 56.100 0.035 0.000 0.930 325 R CB 0.612 30.936 30.300 0.040 0.000 1.218 325 R HN 0.329 nan 8.270 nan 0.000 0.473 326 D N 0.092 120.502 120.400 0.017 0.000 2.586 326 D HA 0.016 4.655 4.640 -0.001 0.000 0.234 326 D C 0.747 177.056 176.300 0.015 0.000 1.132 326 D CA 2.678 56.686 54.000 0.014 0.000 0.860 326 D CB 0.557 41.365 40.800 0.012 0.000 1.159 326 D HN 0.780 nan 8.370 nan 0.000 0.490 327 G N 2.492 111.300 108.800 0.013 0.000 2.232 327 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.226 327 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.226 327 G C 0.380 175.285 174.900 0.008 0.000 0.996 327 G CA 0.339 45.445 45.100 0.010 0.000 0.626 327 G HN 0.948 nan 8.290 nan 0.000 0.509 328 A N 0.666 123.494 122.820 0.013 0.000 2.450 328 A HA 0.642 4.961 4.320 -0.001 0.000 0.255 328 A C 0.697 178.284 177.584 0.005 0.000 1.096 328 A CA 0.333 52.375 52.037 0.009 0.000 0.778 328 A CB 0.799 19.815 19.000 0.027 0.000 1.031 328 A HN 1.167 nan 8.150 nan 0.000 0.494 329 V N 5.242 125.153 119.914 -0.004 0.000 2.508 329 V HA -0.007 4.113 4.120 -0.001 0.000 0.281 329 V C 1.621 177.718 176.094 0.005 0.000 1.041 329 V CA 0.144 62.443 62.300 -0.003 0.000 1.016 329 V CB 0.517 32.336 31.823 -0.008 0.000 0.984 329 V HN 0.892 nan 8.190 nan 0.000 0.478 330 I N 3.725 124.299 120.570 0.008 0.000 2.163 330 I HA -0.198 3.971 4.170 -0.001 0.000 0.243 330 I C 2.429 178.570 176.117 0.040 0.000 1.085 330 I CA 2.073 63.385 61.300 0.021 0.000 1.347 330 I CB -0.444 37.559 38.000 0.004 0.000 1.044 330 I HN 0.860 nan 8.210 nan 0.000 0.408 331 G N 0.187 109.002 108.800 0.025 0.000 2.432 331 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.219 331 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.219 331 G C 1.214 176.155 174.900 0.067 0.000 1.135 331 G CA 0.802 45.928 45.100 0.043 0.000 0.767 331 G HN 0.303 nan 8.290 nan 0.000 0.550 332 D N 0.539 120.953 120.400 0.023 0.000 2.178 332 D HA -0.042 4.597 4.640 -0.001 0.000 0.202 332 D C 2.511 178.789 176.300 -0.038 0.000 0.974 332 D CA 0.293 54.285 54.000 -0.015 0.000 0.841 332 D CB -0.066 40.705 40.800 -0.049 0.000 0.953 332 D HN 0.381 nan 8.370 nan 0.000 0.478 333 I N -0.088 120.484 120.570 0.004 0.000 2.142 333 I HA -0.300 3.869 4.170 -0.001 0.000 0.240 333 I C 2.318 178.485 176.117 0.084 0.000 1.078 333 I CA 0.975 62.293 61.300 0.029 0.000 1.343 333 I CB -0.334 37.727 38.000 0.103 0.000 1.046 333 I HN -0.016 nan 8.210 nan 0.000 0.405 334 Y N 1.798 122.117 120.300 0.032 0.000 2.128 334 Y HA -0.312 4.238 4.550 -0.001 0.000 0.284 334 Y C 2.758 178.698 175.900 0.067 0.000 1.154 334 Y CA 2.341 60.483 58.100 0.071 0.000 1.149 334 Y CB -0.496 37.996 38.460 0.053 0.000 0.976 334 Y HN 0.070 nan 8.280 nan 0.000 0.505 335 T N 0.138 114.783 114.554 0.152 0.000 2.746 335 T HA -0.181 4.169 4.350 -0.001 0.000 0.267 335 T C 1.848 176.515 174.700 -0.055 0.000 1.039 335 T CA 1.636 63.775 62.100 0.064 0.000 1.142 335 T CB -0.212 68.697 68.868 0.069 0.000 0.866 335 T HN 0.239 nan 8.240 nan 0.000 0.444 336 K N 0.288 120.627 120.400 -0.101 0.000 2.097 336 K HA -0.015 4.304 4.320 -0.001 0.000 0.206 336 K C 2.051 178.608 176.600 -0.072 0.000 1.049 336 K CA 0.881 57.068 56.287 -0.168 0.000 0.933 336 K CB -0.075 32.140 32.500 -0.474 0.000 0.717 336 K HN 0.227 nan 8.250 nan 0.000 0.442 337 I N 0.779 121.311 120.570 -0.063 0.000 2.406 337 I HA -0.197 3.973 4.170 -0.001 0.000 0.249 337 I C 2.172 178.118 176.117 -0.286 0.000 1.122 337 I CA 0.707 61.940 61.300 -0.113 0.000 1.431 337 I CB -0.684 37.240 38.000 -0.127 0.000 1.087 337 I HN 0.199 nan 8.210 nan 0.000 0.424 338 L N 1.542 122.574 121.223 -0.318 0.000 2.083 338 L HA -0.058 4.281 4.340 -0.001 0.000 0.209 338 L C 2.306 179.079 176.870 -0.162 0.000 1.083 338 L CA 2.033 56.691 54.840 -0.304 0.000 0.752 338 L CB -1.207 40.761 42.059 -0.152 0.000 0.899 338 L HN 0.185 nan 8.230 nan 0.000 0.433 339 G N -0.908 107.830 108.800 -0.104 0.000 2.421 339 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.217 339 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.217 339 G C 1.598 176.475 174.900 -0.039 0.000 1.143 339 G CA 0.747 45.814 45.100 -0.055 0.000 0.784 339 G HN 0.424 nan 8.290 nan 0.000 0.541 340 L N -0.069 121.126 121.223 -0.047 0.000 2.093 340 L HA 0.025 4.364 4.340 -0.001 0.000 0.208 340 L C 2.776 179.678 176.870 0.055 0.000 1.085 340 L CA 0.608 55.445 54.840 -0.005 0.000 0.755 340 L CB -0.262 41.776 42.059 -0.036 0.000 0.904 340 L HN 0.213 nan 8.230 nan 0.000 0.435 341 I N -0.763 119.805 120.570 -0.002 0.000 2.162 341 I HA -0.257 3.912 4.170 -0.001 0.000 0.238 341 I C 2.765 178.892 176.117 0.018 0.000 1.076 341 I CA 1.054 62.405 61.300 0.084 0.000 1.353 341 I CB -0.318 37.640 38.000 -0.069 0.000 1.063 341 I HN 0.146 nan 8.210 nan 0.000 0.408 342 R N 0.734 121.219 120.500 -0.026 0.000 2.113 342 R HA -0.246 4.093 4.340 -0.001 0.000 0.244 342 R C 2.375 178.662 176.300 -0.021 0.000 1.142 342 R CA 1.915 58.000 56.100 -0.025 0.000 0.953 342 R CB -0.579 29.708 30.300 -0.021 0.000 0.860 342 R HN 0.428 nan 8.270 nan 0.000 0.438 343 A N 0.833 123.649 122.820 -0.006 0.000 1.898 343 A HA -0.173 4.147 4.320 -0.001 0.000 0.216 343 A C 1.840 179.419 177.584 -0.007 0.000 1.181 343 A CA 1.504 53.539 52.037 -0.003 0.000 0.620 343 A CB -0.069 18.936 19.000 0.009 0.000 0.819 343 A HN 0.240 nan 8.150 nan 0.000 0.442 344 K N -2.154 118.252 120.400 0.011 0.000 2.287 344 K HA 0.190 4.509 4.320 -0.001 0.000 0.199 344 K C 0.119 176.618 176.600 -0.168 0.000 1.061 344 K CA 0.329 56.608 56.287 -0.013 0.000 0.976 344 K CB 0.521 33.112 32.500 0.153 0.000 0.898 344 K HN 0.025 nan 8.250 nan 0.000 0.492 345 R N 0.827 121.200 120.500 -0.212 0.000 2.684 345 R HA 0.154 4.494 4.340 -0.001 0.000 0.252 345 R C -2.565 173.608 176.300 -0.212 0.000 1.628 345 R CA -1.257 54.632 56.100 -0.353 0.000 1.622 345 R CB 0.827 30.651 30.300 -0.794 0.000 1.418 345 R HN 0.036 nan 8.270 nan 0.000 0.697 346 P HA -0.139 nan 4.420 nan 0.000 0.225 346 P C 0.575 177.822 177.300 -0.089 0.000 1.148 346 P CA 1.054 64.103 63.100 -0.085 0.000 0.779 346 P CB 0.267 31.931 31.700 -0.061 0.000 0.780 347 D N -0.528 119.793 120.400 -0.130 0.000 2.371 347 D HA -0.077 4.562 4.640 -0.001 0.000 0.221 347 D C 1.661 177.879 176.300 -0.137 0.000 0.986 347 D CA 0.491 54.419 54.000 -0.120 0.000 0.899 347 D CB -0.610 40.108 40.800 -0.137 0.000 0.902 347 D HN 0.266 nan 8.370 nan 0.000 0.530 348 L N -0.008 121.111 121.223 -0.174 0.000 2.590 348 L HA 0.116 4.455 4.340 -0.001 0.000 0.227 348 L C 2.423 179.300 176.870 0.010 0.000 1.099 348 L CA 0.010 54.721 54.840 -0.215 0.000 0.872 348 L CB 0.012 41.758 42.059 -0.522 0.000 1.088 348 L HN -0.050 nan 8.230 nan 0.000 0.479 349 E N 1.557 121.776 120.200 0.030 0.000 2.130 349 E HA -0.224 4.125 4.350 -0.001 0.000 0.196 349 E C -0.784 175.924 176.600 0.179 0.000 0.998 349 E CA 1.403 57.870 56.400 0.112 0.000 0.806 349 E CB -0.344 29.389 29.700 0.055 0.000 0.738 349 E HN 0.307 nan 8.360 nan 0.000 0.459 350 P HA -0.019 nan 4.420 nan 0.000 0.230 350 P C -0.159 177.232 177.300 0.151 0.000 1.158 350 P CA 1.108 64.275 63.100 0.111 0.000 0.769 350 P CB 0.092 31.825 31.700 0.054 0.000 0.807 351 N N -2.167 116.663 118.700 0.218 0.000 2.254 351 N HA 0.076 4.816 4.740 -0.001 0.000 0.190 351 N C -0.045 175.722 175.510 0.428 0.000 1.107 351 N CA -0.240 52.966 53.050 0.260 0.000 0.869 351 N CB -0.134 38.467 38.487 0.189 0.000 0.983 351 N HN 0.029 nan 8.380 nan 0.000 0.487 352 F N 2.557 122.683 119.950 0.293 0.000 2.429 352 F HA 0.202 4.728 4.527 -0.001 0.000 0.348 352 F C 0.811 176.655 175.800 0.073 0.000 1.109 352 F CA -1.694 56.413 58.000 0.178 0.000 1.232 352 F CB 0.522 39.635 39.000 0.187 0.000 1.157 352 F HN -0.220 nan 8.300 nan 0.000 0.564 353 V N 5.010 124.496 119.914 -0.713 0.000 3.032 353 V HA 0.142 4.261 4.120 -0.001 0.000 0.307 353 V C 1.025 176.897 176.094 -0.371 0.000 1.097 353 V CA -0.220 61.762 62.300 -0.530 0.000 1.191 353 V CB 0.335 31.818 31.823 -0.565 0.000 0.964 353 V HN 0.921 nan 8.190 nan 0.000 0.494 354 R N 1.821 122.232 120.500 -0.149 0.000 2.223 354 R HA 0.191 4.530 4.340 -0.001 0.000 0.198 354 R C 0.245 176.434 176.300 -0.185 0.000 0.984 354 R CA 0.926 56.982 56.100 -0.075 0.000 1.018 354 R CB -0.039 30.209 30.300 -0.087 0.000 0.945 354 R HN 1.042 nan 8.270 nan 0.000 0.479 355 N N -1.717 116.907 118.700 -0.126 0.000 2.774 355 N HA 0.206 4.945 4.740 -0.001 0.000 0.264 355 N C -0.409 175.078 175.510 -0.039 0.000 1.415 355 N CA -0.796 52.203 53.050 -0.084 0.000 0.815 355 N CB 0.809 39.212 38.487 -0.141 0.000 1.514 355 N HN -0.186 nan 8.380 nan 0.000 0.523 356 L N -0.551 120.685 121.223 0.021 0.000 3.122 356 L HA 0.584 4.924 4.340 -0.001 0.000 0.274 356 L C 0.778 177.631 176.870 -0.029 0.000 1.222 356 L CA 0.167 55.003 54.840 -0.007 0.000 1.028 356 L CB -0.296 41.809 42.059 0.076 0.000 1.386 356 L HN 1.052 nan 8.230 nan 0.000 0.578 357 G N 0.620 109.392 108.800 -0.047 0.000 2.378 357 G HA2 0.239 4.198 3.960 -0.001 0.000 0.198 357 G HA3 0.239 4.198 3.960 -0.001 0.000 0.198 357 G C -1.066 173.791 174.900 -0.071 0.000 1.223 357 G CA -0.161 44.901 45.100 -0.064 0.000 1.088 357 G HN 0.486 nan 8.290 nan 0.000 0.530 358 A N -1.898 120.865 122.820 -0.095 0.000 2.511 358 A HA 0.971 5.290 4.320 -0.001 0.000 0.293 358 A C 0.439 177.946 177.584 -0.128 0.000 1.098 358 A CA 0.609 52.582 52.037 -0.105 0.000 0.643 358 A CB 0.464 19.394 19.000 -0.117 0.000 1.302 358 A HN 2.538 nan 8.150 nan 0.000 0.446 359 G N -0.879 107.849 108.800 -0.120 0.000 2.614 359 G HA2 0.484 4.444 3.960 -0.001 0.000 0.239 359 G HA3 0.484 4.444 3.960 -0.001 0.000 0.239 359 G C -0.402 174.395 174.900 -0.173 0.000 1.240 359 G CA 0.312 45.340 45.100 -0.119 0.000 0.842 359 G HN 1.198 nan 8.290 nan 0.000 0.584 360 I N 0.603 121.087 120.570 -0.142 0.000 2.656 360 I HA 0.697 4.866 4.170 -0.001 0.000 0.292 360 I C 0.399 176.481 176.117 -0.058 0.000 1.144 360 I CA -0.134 61.058 61.300 -0.180 0.000 1.038 360 I CB 1.937 39.800 38.000 -0.228 0.000 1.244 360 I HN 0.832 nan 8.210 nan 0.000 0.420 361 G N 5.332 114.095 108.800 -0.061 0.000 2.899 361 G HA2 0.225 4.184 3.960 -0.001 0.000 0.137 361 G HA3 0.225 4.184 3.960 -0.001 0.000 0.137 361 G C 0.462 175.317 174.900 -0.074 0.000 1.198 361 G CA -0.300 44.824 45.100 0.039 0.000 1.126 361 G HN 0.493 nan 8.290 nan 0.000 0.589 362 I N 1.313 121.737 120.570 -0.244 0.000 2.361 362 I HA -0.005 4.165 4.170 -0.001 0.000 0.251 362 I C 0.784 176.846 176.117 -0.093 0.000 1.133 362 I CA 1.140 62.230 61.300 -0.351 0.000 1.413 362 I CB -0.141 37.664 38.000 -0.324 0.000 1.073 362 I HN 0.292 nan 8.210 nan 0.000 0.424 363 E N 0.193 120.322 120.200 -0.118 0.000 2.216 363 E HA 0.081 4.430 4.350 -0.001 0.000 0.279 363 E C 0.252 176.648 176.600 -0.339 0.000 0.997 363 E CA -0.477 55.829 56.400 -0.156 0.000 0.817 363 E CB 1.236 30.860 29.700 -0.127 0.000 1.096 363 E HN 0.019 nan 8.360 nan 0.000 0.393 364 F N 2.651 122.040 119.950 -0.936 0.000 2.171 364 F HA -0.100 4.426 4.527 -0.001 0.000 0.300 364 F C 0.957 176.560 175.800 -0.328 0.000 1.090 364 F CA 1.308 58.901 58.000 -0.678 0.000 1.293 364 F CB 0.366 38.836 39.000 -0.884 0.000 1.013 364 F HN 0.244 nan 8.300 nan 0.000 0.486 365 R N 0.964 121.307 120.500 -0.261 0.000 2.502 365 R HA 0.237 4.576 4.340 -0.001 0.000 0.300 365 R C -1.275 174.929 176.300 -0.160 0.000 0.984 365 R CA -0.454 55.520 56.100 -0.210 0.000 0.882 365 R CB 0.994 31.242 30.300 -0.086 0.000 1.180 365 R HN 0.137 nan 8.270 nan 0.000 0.444 366 E N 2.902 123.002 120.200 -0.167 0.000 1.986 366 E HA 0.058 4.407 4.350 -0.001 0.000 0.264 366 E C 0.637 177.163 176.600 -0.124 0.000 1.023 366 E CA -0.252 56.061 56.400 -0.145 0.000 0.834 366 E CB 1.411 31.025 29.700 -0.143 0.000 1.111 366 E HN 0.756 nan 8.360 nan 0.000 0.417 367 S N 1.149 116.782 115.700 -0.112 0.000 2.474 367 S HA -0.171 4.298 4.470 -0.001 0.000 0.235 367 S C 1.919 176.464 174.600 -0.091 0.000 0.997 367 S CA 0.962 59.106 58.200 -0.094 0.000 0.949 367 S CB -0.114 63.039 63.200 -0.080 0.000 0.766 367 S HN 0.405 nan 8.310 nan 0.000 0.517 368 S N 1.181 116.820 115.700 -0.101 0.000 2.515 368 S HA 0.210 4.679 4.470 -0.001 0.000 0.231 368 S C 1.153 175.704 174.600 -0.081 0.000 0.987 368 S CA 0.156 58.300 58.200 -0.094 0.000 0.936 368 S CB -0.581 62.553 63.200 -0.109 0.000 0.766 368 S HN 0.593 nan 8.310 nan 0.000 0.528 369 L N 1.296 122.469 121.223 -0.083 0.000 3.110 369 L HA 0.473 4.812 4.340 -0.001 0.000 0.266 369 L C -0.174 176.656 176.870 -0.066 0.000 1.257 369 L CA -0.544 54.254 54.840 -0.070 0.000 1.038 369 L CB 0.447 42.463 42.059 -0.071 0.000 1.395 369 L HN 0.247 nan 8.230 nan 0.000 0.566 370 L N 1.426 122.605 121.223 -0.073 0.000 2.513 370 L HA 0.064 4.403 4.340 -0.001 0.000 0.272 370 L C 0.383 177.214 176.870 -0.064 0.000 1.187 370 L CA 0.556 55.351 54.840 -0.074 0.000 0.895 370 L CB 0.991 43.000 42.059 -0.084 0.000 1.147 370 L HN -0.108 nan 8.230 nan 0.000 0.483 371 V N 6.230 126.117 119.914 -0.046 0.000 2.153 371 V HA 0.253 4.372 4.120 -0.001 0.000 0.250 371 V C -0.014 176.060 176.094 -0.032 0.000 1.334 371 V CA -0.422 61.879 62.300 0.002 0.000 1.249 371 V CB -1.241 30.616 31.823 0.057 0.000 1.371 371 V HN 0.962 nan 8.190 nan 0.000 0.498 372 N N 2.627 121.242 118.700 -0.142 0.000 2.701 372 N HA 0.625 5.364 4.740 -0.001 0.000 0.290 372 N C 0.825 176.184 175.510 -0.251 0.000 1.338 372 N CA -0.366 52.438 53.050 -0.410 0.000 0.799 372 N CB 1.520 39.755 38.487 -0.420 0.000 1.491 372 N HN 0.095 nan 8.380 nan 0.000 0.540 373 A N -0.063 122.548 122.820 -0.348 0.000 1.972 373 A HA -0.116 4.204 4.320 -0.001 0.000 0.219 373 A C 1.593 179.145 177.584 -0.053 0.000 1.169 373 A CA 1.313 53.305 52.037 -0.076 0.000 0.635 373 A CB -0.671 18.313 19.000 -0.027 0.000 0.810 373 A HN 0.712 nan 8.150 nan 0.000 0.446 374 K N -0.083 120.262 120.400 -0.092 0.000 2.366 374 K HA -0.009 4.310 4.320 -0.001 0.000 0.198 374 K C 0.400 176.971 176.600 -0.049 0.000 1.044 374 K CA 0.107 56.357 56.287 -0.062 0.000 0.973 374 K CB -0.027 32.430 32.500 -0.073 0.000 0.767 374 K HN 0.338 nan 8.250 nan 0.000 0.475 375 N N 1.534 120.203 118.700 -0.051 0.000 2.420 375 N HA 0.017 4.757 4.740 -0.001 0.000 0.262 375 N C -2.031 173.465 175.510 -0.024 0.000 1.144 375 N CA -1.698 51.328 53.050 -0.040 0.000 0.952 375 N CB 1.216 39.678 38.487 -0.042 0.000 1.081 375 N HN -0.056 nan 8.380 nan 0.000 0.480 376 P HA 0.098 nan 4.420 nan 0.000 0.261 376 P C -0.242 177.048 177.300 -0.015 0.000 1.268 376 P CA 0.224 63.315 63.100 -0.016 0.000 0.833 376 P CB 0.506 32.196 31.700 -0.016 0.000 1.231 377 R N 0.153 120.641 120.500 -0.020 0.000 2.643 377 R HA 0.349 4.689 4.340 -0.001 0.000 0.270 377 R C -0.135 176.158 176.300 -0.012 0.000 1.061 377 R CA -0.446 55.642 56.100 -0.020 0.000 1.107 377 R CB 0.547 30.829 30.300 -0.029 0.000 0.999 377 R HN -0.110 nan 8.270 nan 0.000 0.460 378 V N 4.785 124.693 119.914 -0.009 0.000 2.427 378 V HA 0.192 4.311 4.120 -0.001 0.000 0.286 378 V C 0.663 176.755 176.094 -0.003 0.000 1.034 378 V CA -0.661 61.637 62.300 -0.003 0.000 0.893 378 V CB 1.379 33.202 31.823 -0.000 0.000 0.982 378 V HN 0.546 nan 8.190 nan 0.000 0.452 379 L N 4.874 126.098 121.223 0.002 0.000 2.483 379 L HA 0.233 4.573 4.340 -0.001 0.000 0.276 379 L C 0.291 177.163 176.870 0.005 0.000 1.213 379 L CA 0.430 55.272 54.840 0.003 0.000 0.843 379 L CB 0.123 42.189 42.059 0.012 0.000 1.107 379 L HN 0.624 nan 8.230 nan 0.000 0.487 380 Q N 1.716 121.518 119.800 0.003 0.000 2.289 380 Q HA 0.426 4.766 4.340 -0.001 0.000 0.270 380 Q C -0.742 175.263 176.000 0.008 0.000 1.038 380 Q CA -0.811 54.996 55.803 0.007 0.000 0.812 380 Q CB 2.361 31.104 28.738 0.009 0.000 1.300 380 Q HN 0.758 nan 8.270 nan 0.000 0.427 381 A N 1.446 124.272 122.820 0.010 0.000 2.603 381 A HA 0.409 4.728 4.320 -0.001 0.000 0.235 381 A C 0.803 178.398 177.584 0.018 0.000 1.035 381 A CA 1.487 53.531 52.037 0.011 0.000 0.755 381 A CB -0.504 18.504 19.000 0.013 0.000 0.954 381 A HN 1.020 nan 8.150 nan 0.000 0.511 385 L N 2.874 124.067 121.223 -0.049 0.000 2.386 385 L HA 0.604 4.943 4.340 -0.001 0.000 0.271 385 L C 0.211 177.049 176.870 -0.053 0.000 0.993 385 L CA -1.010 53.797 54.840 -0.055 0.000 0.819 385 L CB 2.117 44.157 42.059 -0.032 0.000 1.294 385 L HN 0.877 nan 8.230 nan 0.000 0.414 386 N N 4.516 123.161 118.700 -0.091 0.000 2.678 386 N HA 0.330 5.069 4.740 -0.001 0.000 0.231 386 N C -1.276 174.201 175.510 -0.053 0.000 1.038 386 N CA -0.518 52.477 53.050 -0.092 0.000 0.932 386 N CB 0.661 39.003 38.487 -0.242 0.000 1.176 386 N HN 0.568 nan 8.380 nan 0.000 0.511 387 L N 2.187 123.415 121.223 0.007 0.000 2.265 387 L HA 0.228 4.567 4.340 -0.001 0.000 0.288 387 L C 0.376 177.251 176.870 0.007 0.000 1.058 387 L CA -0.413 54.438 54.840 0.019 0.000 0.809 387 L CB 1.419 43.529 42.059 0.084 0.000 1.179 387 L HN 0.442 nan 8.230 nan 0.000 0.429 388 S N 5.351 121.032 115.700 -0.032 0.000 2.473 388 S HA 0.708 5.177 4.470 -0.001 0.000 0.307 388 S C -0.865 173.668 174.600 -0.110 0.000 1.094 388 S CA -0.572 57.597 58.200 -0.052 0.000 1.070 388 S CB 1.226 64.395 63.200 -0.053 0.000 1.019 388 S HN 0.533 nan 8.310 nan 0.000 0.480 389 I N 3.838 124.328 120.570 -0.133 0.000 2.656 389 I HA 0.811 4.981 4.170 -0.001 0.000 0.292 389 I C -0.228 175.746 176.117 -0.237 0.000 1.144 389 I CA -0.059 61.115 61.300 -0.210 0.000 1.038 389 I CB 1.817 39.705 38.000 -0.187 0.000 1.244 389 I HN 0.883 nan 8.210 nan 0.000 0.420 390 G N 5.210 113.780 108.800 -0.384 0.000 2.441 390 G HA2 0.487 4.446 3.960 -0.001 0.000 0.294 390 G HA3 0.487 4.446 3.960 -0.001 0.000 0.294 390 G C -2.181 172.386 174.900 -0.554 0.000 1.393 390 G CA -0.594 44.286 45.100 -0.367 0.000 0.796 390 G HN 0.409 nan 8.290 nan 0.000 0.494 391 F N -0.141 119.844 119.950 0.058 0.000 2.547 391 F HA 0.692 5.218 4.527 -0.001 0.000 0.316 391 F C 0.718 176.496 175.800 -0.037 0.000 1.121 391 F CA -0.460 57.573 58.000 0.054 0.000 0.911 391 F CB 2.913 41.961 39.000 0.080 0.000 1.179 391 F HN 0.745 nan 8.300 nan 0.000 0.443 392 G N 0.503 109.395 108.800 0.152 0.000 2.498 392 G HA2 0.428 4.387 3.960 -0.001 0.000 0.312 392 G HA3 0.428 4.387 3.960 -0.001 0.000 0.312 392 G C -0.653 174.244 174.900 -0.005 0.000 1.230 392 G CA -1.100 44.022 45.100 0.036 0.000 0.968 392 G HN 0.819 nan 8.290 nan 0.000 0.481 393 N N -1.646 117.032 118.700 -0.036 0.000 2.725 393 N HA -0.162 4.577 4.740 -0.001 0.000 0.249 393 N C -0.044 175.393 175.510 -0.122 0.000 1.103 393 N CA 0.248 53.276 53.050 -0.036 0.000 0.707 393 N CB -1.275 37.217 38.487 0.008 0.000 1.043 393 N HN 0.433 nan 8.380 nan 0.000 0.553 394 L N 1.470 122.511 121.223 -0.304 0.000 2.410 394 L HA 0.214 4.553 4.340 -0.001 0.000 0.273 394 L C 0.915 177.568 176.870 -0.361 0.000 1.144 394 L CA -0.342 54.205 54.840 -0.487 0.000 0.863 394 L CB 0.180 41.595 42.059 -1.072 0.000 1.140 394 L HN 0.182 nan 8.230 nan 0.000 0.463 395 I N 0.515 121.001 120.570 -0.140 0.000 2.353 395 I HA 0.338 4.508 4.170 -0.001 0.000 0.293 395 I C -0.341 175.833 176.117 0.095 0.000 0.992 395 I CA -0.597 60.702 61.300 -0.003 0.000 1.268 395 I CB 0.980 38.971 38.000 -0.015 0.000 1.387 395 I HN 0.460 nan 8.210 nan 0.000 0.478 396 N N 7.545 126.339 118.700 0.157 0.000 2.422 396 N HA 0.354 5.094 4.740 -0.001 0.000 0.264 396 N C -2.384 173.133 175.510 0.011 0.000 1.063 396 N CA -1.101 52.036 53.050 0.145 0.000 0.959 396 N CB 0.759 39.346 38.487 0.168 0.000 1.087 396 N HN 0.426 nan 8.380 nan 0.000 0.483 397 P HA 0.143 nan 4.420 nan 0.000 0.269 397 P C -0.454 176.606 177.300 -0.399 0.000 1.252 397 P CA 0.425 63.306 63.100 -0.365 0.000 0.780 397 P CB 0.106 31.578 31.700 -0.380 0.000 0.829 398 H N -0.865 118.234 119.070 0.047 0.000 1.452 398 H HA -0.106 4.450 4.556 -0.001 0.000 0.090 398 H C -2.123 173.235 175.328 0.049 0.000 0.900 398 H CA 0.373 56.446 56.048 0.041 0.000 1.901 398 H CB -2.230 27.553 29.762 0.035 0.000 2.257 398 H HN 0.481 nan 8.280 nan 0.000 0.961 404 S N -0.034 115.689 115.700 0.038 0.000 2.475 404 S HA 0.527 4.996 4.470 -0.001 0.000 0.298 404 S C 0.166 174.833 174.600 0.111 0.000 1.119 404 S CA -0.092 58.142 58.200 0.057 0.000 1.085 404 S CB 1.207 64.463 63.200 0.093 0.000 1.028 404 S HN 0.560 nan 8.310 nan 0.000 0.489 405 K N 2.320 122.780 120.400 0.101 0.000 2.062 405 K HA 0.212 4.531 4.320 -0.001 0.000 0.205 405 K C 0.321 177.008 176.600 0.145 0.000 1.051 405 K CA 1.245 57.592 56.287 0.101 0.000 0.941 405 K CB 0.116 32.658 32.500 0.069 0.000 0.719 405 K HN 0.627 nan 8.250 nan 0.000 0.440 406 E N -1.534 118.781 120.200 0.192 0.000 2.393 406 E HA 0.346 4.695 4.350 -0.001 0.000 0.273 406 E C -1.293 175.532 176.600 0.375 0.000 0.918 406 E CA -1.032 55.496 56.400 0.214 0.000 0.773 406 E CB 2.012 31.791 29.700 0.131 0.000 1.275 406 E HN 0.006 nan 8.360 nan 0.000 0.451 407 Y N -1.144 119.219 120.300 0.105 0.000 2.715 407 Y HA 0.893 5.442 4.550 -0.001 0.000 0.331 407 Y C -1.381 174.378 175.900 -0.236 0.000 1.197 407 Y CA -1.176 56.886 58.100 -0.063 0.000 1.079 407 Y CB 0.949 39.383 38.460 -0.043 0.000 1.298 407 Y HN 0.539 nan 8.280 nan 0.000 0.477 408 A N 0.916 123.438 122.820 -0.497 0.000 2.556 408 A HA 0.846 5.165 4.320 -0.001 0.000 0.294 408 A C -2.157 175.369 177.584 -0.097 0.000 1.091 408 A CA -0.957 50.878 52.037 -0.337 0.000 0.704 408 A CB 1.589 20.372 19.000 -0.361 0.000 1.300 408 A HN 0.787 nan 8.150 nan 0.000 0.406 409 L N 0.813 122.076 121.223 0.068 0.000 2.408 409 L HA 0.771 5.110 4.340 -0.001 0.000 0.268 409 L C -1.301 175.636 176.870 0.112 0.000 0.986 409 L CA -0.688 54.261 54.840 0.181 0.000 0.820 409 L CB 2.061 44.343 42.059 0.371 0.000 1.303 409 L HN 0.677 nan 8.230 nan 0.000 0.411 410 L N 3.904 125.193 121.223 0.109 0.000 2.482 410 L HA 0.682 5.022 4.340 -0.001 0.000 0.263 410 L C -1.814 175.096 176.870 0.066 0.000 0.957 410 L CA -0.071 54.798 54.840 0.048 0.000 0.836 410 L CB 2.156 44.237 42.059 0.037 0.000 1.324 410 L HN 0.451 nan 8.230 nan 0.000 0.406 411 L N 6.014 127.248 121.223 0.020 0.000 2.409 411 L HA 0.629 4.968 4.340 -0.001 0.000 0.272 411 L C -1.073 175.813 176.870 0.026 0.000 0.980 411 L CA -0.421 54.438 54.840 0.031 0.000 0.826 411 L CB 2.043 44.101 42.059 -0.001 0.000 1.268 411 L HN 0.519 nan 8.230 nan 0.000 0.407 412 I N 2.469 123.080 120.570 0.069 0.000 2.498 412 I HA 0.487 4.656 4.170 -0.001 0.000 0.290 412 I C -1.051 175.144 176.117 0.130 0.000 1.032 412 I CA -0.492 60.861 61.300 0.087 0.000 1.073 412 I CB 2.227 40.285 38.000 0.097 0.000 1.251 412 I HN 0.505 nan 8.210 nan 0.000 0.426 413 D N 3.260 123.749 120.400 0.149 0.000 2.581 413 D HA 0.363 5.002 4.640 -0.001 0.000 0.232 413 D C -1.016 175.346 176.300 0.103 0.000 1.143 413 D CA -0.375 53.716 54.000 0.152 0.000 0.881 413 D CB 2.909 43.832 40.800 0.204 0.000 1.500 413 D HN 0.313 nan 8.370 nan 0.000 0.458 414 T N 1.425 116.025 114.554 0.077 0.000 2.749 414 T HA 0.564 4.914 4.350 -0.001 0.000 0.287 414 T C 0.332 174.962 174.700 -0.117 0.000 0.970 414 T CA -0.507 61.620 62.100 0.045 0.000 0.980 414 T CB 0.337 69.300 68.868 0.159 0.000 0.924 414 T HN 0.299 nan 8.240 nan 0.000 0.456 415 I N 0.857 121.301 120.570 -0.209 0.000 2.740 415 I HA 0.650 4.819 4.170 -0.001 0.000 0.303 415 I C -0.599 175.245 176.117 -0.455 0.000 1.044 415 I CA -1.169 59.867 61.300 -0.440 0.000 1.064 415 I CB 2.167 39.985 38.000 -0.303 0.000 1.249 415 I HN 0.435 nan 8.210 nan 0.000 0.433 416 Q N 4.880 124.287 119.800 -0.656 0.000 2.290 416 Q HA 0.419 4.758 4.340 -0.001 0.000 0.259 416 Q C -1.206 174.669 176.000 -0.208 0.000 0.941 416 Q CA -0.929 54.652 55.803 -0.371 0.000 0.912 416 Q CB 1.521 30.041 28.738 -0.364 0.000 1.244 416 Q HN 0.640 nan 8.270 nan 0.000 0.441 417 I N 4.068 124.576 120.570 -0.103 0.000 2.529 417 I HA 0.143 4.312 4.170 -0.001 0.000 0.284 417 I C 0.974 177.068 176.117 -0.039 0.000 1.082 417 I CA 0.387 61.652 61.300 -0.058 0.000 1.406 417 I CB 0.537 38.522 38.000 -0.025 0.000 1.405 417 I HN 0.834 nan 8.210 nan 0.000 0.548 418 T N 3.615 118.150 114.554 -0.032 0.000 2.633 418 T HA 0.479 4.829 4.350 -0.001 0.000 0.262 418 T C 0.981 175.679 174.700 -0.003 0.000 0.920 418 T CA -0.687 61.404 62.100 -0.015 0.000 1.062 418 T CB 1.507 70.363 68.868 -0.020 0.000 1.390 418 T HN 0.495 nan 8.240 nan 0.000 0.549 419 R N 0.057 120.558 120.500 0.001 0.000 2.275 419 R HA 0.226 4.566 4.340 -0.001 0.000 0.199 419 R C 1.101 177.406 176.300 0.008 0.000 0.989 419 R CA 0.823 56.927 56.100 0.007 0.000 1.016 419 R CB 0.008 30.313 30.300 0.008 0.000 0.918 419 R HN 0.766 nan 8.270 nan 0.000 0.473 420 S N -1.078 114.624 115.700 0.003 0.000 4.383 420 S HA 0.209 4.679 4.470 -0.001 0.000 0.216 420 S C -0.393 174.208 174.600 0.001 0.000 1.122 420 S CA -0.857 57.347 58.200 0.006 0.000 1.745 420 S CB 0.314 63.517 63.200 0.004 0.000 1.094 420 S HN -0.160 nan 8.310 nan 0.000 0.754 421 D N 4.152 124.548 120.400 -0.007 0.000 2.443 421 D HA 0.359 4.998 4.640 -0.001 0.000 0.239 421 D C -2.249 174.021 176.300 -0.050 0.000 1.136 421 D CA -0.599 53.389 54.000 -0.019 0.000 0.879 421 D CB 0.484 41.270 40.800 -0.024 0.000 1.195 421 D HN 0.203 nan 8.370 nan 0.000 0.443 422 P HA 0.209 nan 4.420 nan 0.000 0.274 422 P C -0.179 176.990 177.300 -0.218 0.000 1.237 422 P CA -0.274 62.739 63.100 -0.144 0.000 0.793 422 P CB 0.859 32.472 31.700 -0.145 0.000 0.977 423 I N 0.927 121.326 120.570 -0.285 0.000 2.315 423 I HA 0.184 4.353 4.170 -0.001 0.000 0.291 423 I C 0.058 175.854 176.117 -0.534 0.000 1.006 423 I CA -0.999 60.105 61.300 -0.327 0.000 1.265 423 I CB 1.397 39.246 38.000 -0.252 0.000 1.387 423 I HN -0.045 nan 8.210 nan 0.000 0.475 424 V N 7.126 126.781 119.914 -0.432 0.000 2.270 424 V HA 0.156 4.275 4.120 -0.001 0.000 0.263 424 V C 0.864 176.861 176.094 -0.161 0.000 1.066 424 V CA -0.090 61.939 62.300 -0.451 0.000 0.857 424 V CB -0.010 31.452 31.823 -0.602 0.000 1.099 424 V HN 0.695 nan 8.190 nan 0.000 0.476 425 F N 2.055 121.950 119.950 -0.092 0.000 2.216 425 F HA -0.152 4.375 4.527 -0.001 0.000 0.300 425 F C 2.398 178.192 175.800 -0.011 0.000 1.085 425 F CA 1.327 59.305 58.000 -0.037 0.000 1.326 425 F CB 0.049 39.043 39.000 -0.009 0.000 1.027 425 F HN 0.579 nan 8.300 nan 0.000 0.497 426 T N -3.470 111.192 114.554 0.179 0.000 3.186 426 T HA 0.083 4.433 4.350 -0.001 0.000 0.257 426 T C -0.013 174.750 174.700 0.105 0.000 1.029 426 T CA -0.450 61.739 62.100 0.149 0.000 0.916 426 T CB -0.460 68.504 68.868 0.161 0.000 1.041 426 T HN -0.120 nan 8.240 nan 0.000 0.562 427 D N 2.771 123.208 120.400 0.060 0.000 2.400 427 D HA 0.432 5.071 4.640 -0.001 0.000 0.238 427 D C 0.147 176.495 176.300 0.081 0.000 1.157 427 D CA 0.517 54.546 54.000 0.049 0.000 0.889 427 D CB 0.851 41.648 40.800 -0.004 0.000 1.199 427 D HN 0.558 nan 8.370 nan 0.000 0.436 428 S N 0.642 116.397 115.700 0.092 0.000 2.595 428 S HA 0.549 5.019 4.470 -0.001 0.000 0.270 428 S C -3.023 171.639 174.600 0.103 0.000 1.145 428 S CA -1.324 56.937 58.200 0.103 0.000 0.825 428 S CB 1.108 64.388 63.200 0.133 0.000 1.107 428 S HN 0.172 nan 8.310 nan 0.000 0.461 429 P HA 0.340 nan 4.420 nan 0.000 0.271 429 P C -0.314 177.053 177.300 0.112 0.000 1.233 429 P CA -0.315 62.841 63.100 0.094 0.000 0.764 429 P CB 0.298 32.046 31.700 0.079 0.000 0.825 430 K N 1.319 121.788 120.400 0.114 0.000 2.536 430 K HA 0.499 4.818 4.320 -0.001 0.000 0.203 430 K C 0.246 176.967 176.600 0.200 0.000 1.063 430 K CA -0.547 55.834 56.287 0.156 0.000 1.063 430 K CB 0.529 33.124 32.500 0.160 0.000 0.843 430 K HN 0.282 nan 8.250 nan 0.000 0.521 431 A N 2.090 124.993 122.820 0.139 0.000 2.507 431 A HA -0.081 4.238 4.320 -0.001 0.000 0.235 431 A C 1.482 179.205 177.584 0.231 0.000 1.070 431 A CA 0.161 52.286 52.037 0.147 0.000 0.768 431 A CB 0.426 19.479 19.000 0.087 0.000 1.011 431 A HN 0.578 nan 8.150 nan 0.000 0.502 432 Q N 1.797 121.773 119.800 0.293 0.000 2.182 432 Q HA -0.250 4.089 4.340 -0.001 0.000 0.213 432 Q C 1.576 177.626 176.000 0.083 0.000 1.000 432 Q CA 2.585 58.547 55.803 0.265 0.000 0.889 432 Q CB -0.634 28.261 28.738 0.262 0.000 0.932 432 Q HN 0.918 nan 8.270 nan 0.000 0.415 433 G N 0.054 108.903 108.800 0.081 0.000 2.534 433 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.217 433 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.217 433 G C 0.866 175.748 174.900 -0.030 0.000 1.128 433 G CA 0.744 45.869 45.100 0.042 0.000 0.784 433 G HN 0.416 nan 8.290 nan 0.000 0.542 434 D N 0.434 120.827 120.400 -0.012 0.000 2.249 434 D HA -0.016 4.624 4.640 -0.001 0.000 0.205 434 D C 1.984 178.231 176.300 -0.087 0.000 0.962 434 D CA 0.662 54.650 54.000 -0.020 0.000 0.860 434 D CB 0.296 41.127 40.800 0.051 0.000 0.955 434 D HN 0.587 nan 8.370 nan 0.000 0.505 435 I N -2.986 117.493 120.570 -0.152 0.000 4.147 435 I HA 0.256 4.425 4.170 -0.001 0.000 0.329 435 I C -0.194 175.687 176.117 -0.394 0.000 1.424 435 I CA -0.512 60.685 61.300 -0.171 0.000 1.127 435 I CB 0.589 38.450 38.000 -0.231 0.000 1.128 435 I HN -0.367 nan 8.210 nan 0.000 0.417 436 S N 0.984 116.355 115.700 -0.548 0.000 2.433 436 S HA 0.591 5.060 4.470 -0.001 0.000 0.310 436 S C -1.126 172.892 174.600 -0.970 0.000 1.097 436 S CA -0.164 57.613 58.200 -0.705 0.000 1.103 436 S CB 0.399 63.260 63.200 -0.566 0.000 0.992 436 S HN 0.201 nan 8.310 nan 0.000 0.469 437 Y N 2.130 121.992 120.300 -0.731 0.000 2.331 437 Y HA 0.504 5.053 4.550 -0.001 0.000 0.338 437 Y C -0.356 175.278 175.900 -0.442 0.000 0.976 437 Y CA -0.708 57.100 58.100 -0.486 0.000 1.137 437 Y CB 0.675 38.849 38.460 -0.477 0.000 1.172 437 Y HN 0.555 nan 8.280 nan 0.000 0.478 438 F N 3.137 123.150 119.950 0.105 0.000 2.495 438 F HA 0.315 4.841 4.527 -0.002 0.000 0.327 438 F C -0.106 175.793 175.800 0.165 0.000 1.103 438 F CA -1.303 56.775 58.000 0.129 0.000 0.949 438 F CB 1.069 40.109 39.000 0.067 0.000 1.142 438 F HN 0.380 nan 8.300 nan 0.000 0.457 439 F N 2.711 122.834 119.950 0.289 0.000 2.612 439 F HA 0.305 4.831 4.527 -0.003 0.000 0.389 439 F C 1.179 177.068 175.800 0.148 0.000 1.055 439 F CA 1.403 59.512 58.000 0.181 0.000 1.232 439 F CB 0.273 39.359 39.000 0.143 0.000 1.044 439 F HN 0.763 nan 8.300 nan 0.000 0.560 440 G N 4.003 112.485 108.800 -0.529 0.000 2.184 440 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.264 440 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.264 440 G C 0.766 175.609 174.900 -0.096 0.000 0.975 440 G CA 0.402 45.282 45.100 -0.367 0.000 0.642 440 G HN 0.605 nan 8.290 nan 0.000 0.536 441 E N 0.658 120.858 120.200 0.001 0.000 2.474 441 E HA 0.179 4.529 4.350 -0.001 0.000 0.195 441 E C 0.411 177.035 176.600 0.039 0.000 1.039 441 E CA 0.353 56.785 56.400 0.053 0.000 0.881 441 E CB 0.474 30.259 29.700 0.142 0.000 0.970 441 E HN 0.647 nan 8.360 nan 0.000 0.486 442 D N 0.000 120.406 120.400 0.010 0.000 6.856 442 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 442 D CA 0.000 54.011 54.000 0.019 0.000 0.868 442 D CB 0.000 40.846 40.800 0.077 0.000 0.688 442 D HN 0.000 nan 8.370 nan 0.000 0.683