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 3b6h_1_B DATA FIRST_RESID 23 DATA SEQUENCE RTRRPGEPPL DLGSIPWLGY ALDFGKDAAS FLTRMKEKHG DIFTILVGGR DATA SEQUENCE YVTVLLDPHS YDAVVWEPRT RLDFHAYAIF LMERIFDVQL PHYSPSDEKA DATA SEQUENCE RMKLTLLHRE LQALTEAMYT NLHAVLLGDA TEAGSGWHEM GLLDFSYSFL DATA SEQUENCE LRAGYLTLYG IEALPRTHES QAQDRVHSAD VFHTFRQLDR LLPKLARGSL DATA SEQUENCE SVGDKDHMCS VKSRLWKLLS PARLARRAHR SKWLESYLLH LEEMGVSEEM DATA SEQUENCE QARALVLQLW ATQGNMGPAA FWLLLFLLKN PEALAAVRGE LESILWQXXX DATA SEQUENCE XXXXXXTLPQ KVLDSTPVLD SVLSESLRLT AAPFITREVV VDLAMPMADG DATA SEQUENCE REFNLRRGDR LLLFPFLSPQ RDPEIYTDPE VFKYNRFLNP DGSEKKDFYK DATA SEQUENCE DGKRLKNYNM PWGAGHNHCL GRSYAVNSIK QFVFLVLVHL DLELINADVE DATA SEQUENCE IPEFDLSRYG FGLMQPEHDV PVRYRIRPH 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 23 R HA 0.000 nan 4.340 nan 0.000 0.208 23 R C 0.000 176.258 176.300 -0.070 0.000 0.893 23 R CA 0.000 56.037 56.100 -0.106 0.000 0.921 23 R CB 0.000 30.075 30.300 -0.375 0.000 0.687 24 T N 3.412 117.919 114.554 -0.078 0.000 2.824 24 T HA 0.385 4.735 4.350 0.001 0.000 0.282 24 T C -0.702 173.966 174.700 -0.053 0.000 0.993 24 T CA -0.666 61.408 62.100 -0.043 0.000 0.967 24 T CB 1.330 70.186 68.868 -0.021 0.000 0.960 24 T HN 0.466 nan 8.240 nan 0.000 0.441 25 R N 2.823 123.304 120.500 -0.032 0.000 2.484 25 R HA 0.160 4.500 4.340 0.001 0.000 0.293 25 R C 0.001 176.295 176.300 -0.009 0.000 1.023 25 R CA 0.086 56.173 56.100 -0.021 0.000 1.037 25 R CB 0.412 30.715 30.300 0.004 0.000 0.951 25 R HN 0.551 nan 8.270 nan 0.000 0.418 26 R N 4.571 125.065 120.500 -0.010 0.000 2.532 26 R HA 0.294 4.634 4.340 0.001 0.000 0.272 26 R C -2.192 174.119 176.300 0.018 0.000 1.032 26 R CA -1.895 54.205 56.100 -0.001 0.000 1.089 26 R CB 0.527 30.822 30.300 -0.008 0.000 1.098 26 R HN 0.494 nan 8.270 nan 0.000 0.526 27 P HA -0.024 nan 4.420 nan 0.000 0.265 27 P C 0.439 177.753 177.300 0.024 0.000 1.193 27 P CA 0.946 64.058 63.100 0.020 0.000 0.765 27 P CB 0.572 32.277 31.700 0.009 0.000 0.823 28 G N 1.496 110.317 108.800 0.034 0.000 2.195 28 G HA2 -0.225 3.735 3.960 0.001 0.000 0.246 28 G HA3 -0.225 3.735 3.960 0.001 0.000 0.246 28 G C 0.062 175.040 174.900 0.131 0.000 0.984 28 G CA -0.273 44.842 45.100 0.025 0.000 0.633 28 G HN 0.556 nan 8.290 nan 0.000 0.525 29 E N 1.393 121.681 120.200 0.146 0.000 2.319 29 E HA 0.426 4.776 4.350 0.001 0.000 0.268 29 E C -2.223 174.529 176.600 0.254 0.000 1.050 29 E CA -1.863 54.644 56.400 0.178 0.000 0.878 29 E CB 0.933 30.672 29.700 0.066 0.000 1.066 29 E HN 0.160 nan 8.360 nan 0.000 0.406 30 P HA 0.039 nan 4.420 nan 0.000 0.271 30 P C -2.523 174.761 177.300 -0.027 0.000 1.233 30 P CA -0.996 62.041 63.100 -0.105 0.000 0.789 30 P CB -0.375 31.138 31.700 -0.312 0.000 0.951 31 P HA -0.012 nan 4.420 nan 0.000 0.263 31 P C -0.741 176.501 177.300 -0.096 0.000 1.175 31 P CA 0.496 63.581 63.100 -0.026 0.000 0.761 31 P CB 0.133 31.826 31.700 -0.012 0.000 0.794 32 L N 3.803 124.995 121.223 -0.052 0.000 2.313 32 L HA 0.561 4.901 4.340 0.001 0.000 0.283 32 L C -0.752 176.121 176.870 0.006 0.000 1.013 32 L CA -0.082 54.743 54.840 -0.026 0.000 0.816 32 L CB 1.360 43.418 42.059 -0.003 0.000 1.236 32 L HN 0.150 nan 8.230 nan 0.000 0.419 33 D N 4.533 124.961 120.400 0.046 0.000 2.469 33 D HA 0.277 4.917 4.640 0.001 0.000 0.251 33 D C 0.353 176.814 176.300 0.268 0.000 1.173 33 D CA -0.194 53.911 54.000 0.175 0.000 0.882 33 D CB 1.225 42.140 40.800 0.193 0.000 1.129 33 D HN 0.636 nan 8.370 nan 0.000 0.549 34 L N 2.439 123.762 121.223 0.166 0.000 2.529 34 L HA 0.316 4.657 4.340 0.001 0.000 0.223 34 L C 1.571 178.353 176.870 -0.145 0.000 1.113 34 L CA 0.334 55.214 54.840 0.065 0.000 0.861 34 L CB -0.402 41.697 42.059 0.066 0.000 1.012 34 L HN 0.621 nan 8.230 nan 0.000 0.461 35 G N 0.167 108.865 108.800 -0.170 0.000 2.645 35 G HA2 -0.293 3.668 3.960 0.001 0.000 0.239 35 G HA3 -0.293 3.668 3.960 0.001 0.000 0.239 35 G C 0.470 175.243 174.900 -0.212 0.000 1.331 35 G CA -0.013 44.795 45.100 -0.486 0.000 0.890 35 G HN 0.092 nan 8.290 nan 0.000 0.572 36 S N -0.615 114.961 115.700 -0.207 0.000 2.497 36 S HA 0.326 4.797 4.470 0.001 0.000 0.221 36 S C 1.120 175.678 174.600 -0.069 0.000 1.037 36 S CA 0.572 58.722 58.200 -0.083 0.000 0.920 36 S CB 0.170 63.347 63.200 -0.038 0.000 0.800 36 S HN 0.510 nan 8.310 nan 0.000 0.505 37 I N 4.146 124.653 120.570 -0.105 0.000 2.321 37 I HA 0.280 4.450 4.170 0.001 0.000 0.291 37 I C -2.414 173.688 176.117 -0.025 0.000 0.998 37 I CA -2.547 58.724 61.300 -0.048 0.000 1.227 37 I CB 1.290 39.267 38.000 -0.039 0.000 1.368 37 I HN -0.038 nan 8.210 nan 0.000 0.466 38 P HA -0.133 nan 4.420 nan 0.000 0.266 38 P C 0.308 177.718 177.300 0.183 0.000 1.195 38 P CA 0.327 63.472 63.100 0.075 0.000 0.768 38 P CB 0.658 32.405 31.700 0.077 0.000 0.838 39 W N 2.340 123.601 121.300 -0.066 0.000 0.644 39 W HA -0.389 4.271 4.660 0.001 0.000 0.217 39 W C 1.546 177.993 176.519 -0.121 0.000 0.935 39 W CA 1.963 59.257 57.345 -0.086 0.000 0.519 39 W CB -2.053 27.370 29.460 -0.062 0.000 1.885 39 W HN 0.261 nan 8.180 nan 0.000 0.774 40 L N 0.844 122.176 121.223 0.180 0.000 2.083 40 L HA 0.053 4.393 4.340 0.001 0.000 0.209 40 L C 2.400 179.150 176.870 -0.199 0.000 1.083 40 L CA 2.032 56.876 54.840 0.006 0.000 0.752 40 L CB -1.331 40.813 42.059 0.141 0.000 0.899 40 L HN 0.701 nan 8.230 nan 0.000 0.433 41 G N -0.414 108.266 108.800 -0.200 0.000 2.634 41 G HA2 -0.410 3.550 3.960 0.001 0.000 0.318 41 G HA3 -0.410 3.550 3.960 0.001 0.000 0.318 41 G C 0.305 174.982 174.900 -0.372 0.000 1.207 41 G CA 0.819 45.727 45.100 -0.322 0.000 0.987 41 G HN 0.340 nan 8.290 nan 0.000 0.547 42 Y N 2.533 122.757 120.300 -0.127 0.000 2.625 42 Y HA 0.508 5.059 4.550 0.001 0.000 0.285 42 Y C 2.484 178.226 175.900 -0.263 0.000 1.168 42 Y CA 0.621 58.604 58.100 -0.194 0.000 1.250 42 Y CB 0.067 38.403 38.460 -0.207 0.000 1.130 42 Y HN 0.670 nan 8.280 nan 0.000 0.526 43 A N 0.234 123.006 122.820 -0.081 0.000 1.917 43 A HA -0.238 4.083 4.320 0.001 0.000 0.219 43 A C 2.065 179.652 177.584 0.005 0.000 1.182 43 A CA 1.830 53.835 52.037 -0.053 0.000 0.633 43 A CB -0.577 18.391 19.000 -0.053 0.000 0.819 43 A HN 0.524 nan 8.150 nan 0.000 0.448 44 L N 0.072 121.294 121.223 -0.002 0.000 2.044 44 L HA -0.104 4.237 4.340 0.001 0.000 0.205 44 L C 1.758 178.620 176.870 -0.014 0.000 1.075 44 L CA 2.597 57.445 54.840 0.014 0.000 0.747 44 L CB -0.594 41.480 42.059 0.026 0.000 0.903 44 L HN 0.431 nan 8.230 nan 0.000 0.435 45 D N -0.903 119.455 120.400 -0.070 0.000 2.097 45 D HA -0.266 4.375 4.640 0.001 0.000 0.195 45 D C 1.921 178.042 176.300 -0.299 0.000 0.989 45 D CA 1.813 55.719 54.000 -0.157 0.000 0.827 45 D CB -0.494 40.177 40.800 -0.216 0.000 0.966 45 D HN 0.368 nan 8.370 nan 0.000 0.456 46 F N 1.341 120.892 119.950 -0.665 0.000 2.146 46 F HA 0.002 4.529 4.527 0.001 0.000 0.298 46 F C 2.331 178.063 175.800 -0.114 0.000 1.096 46 F CA 1.814 59.535 58.000 -0.465 0.000 1.275 46 F CB -0.459 38.279 39.000 -0.436 0.000 1.008 46 F HN -0.007 nan 8.300 nan 0.000 0.480 47 G N -0.057 108.762 108.800 0.031 0.000 2.408 47 G HA2 -0.275 3.685 3.960 0.001 0.000 0.217 47 G HA3 -0.275 3.685 3.960 0.001 0.000 0.217 47 G C 1.743 176.647 174.900 0.008 0.000 1.150 47 G CA 0.772 45.889 45.100 0.029 0.000 0.776 47 G HN 0.355 nan 8.290 nan 0.000 0.542 48 K N -0.367 120.043 120.400 0.016 0.000 2.026 48 K HA -0.104 4.217 4.320 0.001 0.000 0.208 48 K C -0.116 176.538 176.600 0.090 0.000 1.048 48 K CA 1.399 57.718 56.287 0.053 0.000 0.929 48 K CB 0.136 32.670 32.500 0.056 0.000 0.713 48 K HN 0.219 nan 8.250 nan 0.000 0.439 49 D N -1.603 118.843 120.400 0.078 0.000 2.474 49 D HA 0.190 4.831 4.640 0.001 0.000 0.234 49 D C -0.073 176.253 176.300 0.043 0.000 1.323 49 D CA 0.084 54.181 54.000 0.162 0.000 0.915 49 D CB 1.113 42.029 40.800 0.194 0.000 1.487 49 D HN 0.134 nan 8.370 nan 0.000 0.524 50 A N 2.383 125.118 122.820 -0.142 0.000 1.908 50 A HA 0.043 4.364 4.320 0.001 0.000 0.218 50 A C 2.139 179.599 177.584 -0.207 0.000 1.181 50 A CA 2.045 53.832 52.037 -0.417 0.000 0.627 50 A CB -0.308 18.278 19.000 -0.689 0.000 0.818 50 A HN 0.565 nan 8.150 nan 0.000 0.445 51 A N -0.770 121.817 122.820 -0.388 0.000 1.873 51 A HA -0.033 4.288 4.320 0.001 0.000 0.215 51 A C 2.459 180.114 177.584 0.118 0.000 1.186 51 A CA 1.993 54.017 52.037 -0.022 0.000 0.616 51 A CB -0.861 18.066 19.000 -0.122 0.000 0.823 51 A HN 0.444 nan 8.150 nan 0.000 0.442 52 S N -1.059 114.714 115.700 0.123 0.000 2.368 52 S HA -0.111 4.359 4.470 0.001 0.000 0.225 52 S C 1.678 176.355 174.600 0.128 0.000 1.030 52 S CA 1.440 59.722 58.200 0.138 0.000 0.999 52 S CB -0.502 62.791 63.200 0.155 0.000 0.844 52 S HN 0.622 nan 8.310 nan 0.000 0.459 53 F N 2.413 122.373 119.950 0.018 0.000 2.102 53 F HA -0.034 4.494 4.527 0.001 0.000 0.298 53 F C 1.764 177.575 175.800 0.019 0.000 1.105 53 F CA 1.289 59.293 58.000 0.006 0.000 1.239 53 F CB -0.450 38.563 39.000 0.022 0.000 0.991 53 F HN 0.082 nan 8.300 nan 0.000 0.474 54 L N -0.593 120.600 121.223 -0.050 0.000 2.141 54 L HA -0.179 4.161 4.340 0.001 0.000 0.209 54 L C 2.302 179.154 176.870 -0.030 0.000 1.094 54 L CA 1.471 56.285 54.840 -0.043 0.000 0.763 54 L CB -1.108 41.098 42.059 0.244 0.000 0.908 54 L HN 0.160 nan 8.230 nan 0.000 0.437 55 T N -0.526 114.032 114.554 0.007 0.000 2.708 55 T HA -0.170 4.180 4.350 0.001 0.000 0.266 55 T C 2.045 176.684 174.700 -0.101 0.000 1.037 55 T CA 1.207 63.305 62.100 -0.003 0.000 1.146 55 T CB -0.125 68.765 68.868 0.036 0.000 0.865 55 T HN 0.296 nan 8.240 nan 0.000 0.435 56 R N 0.341 120.742 120.500 -0.165 0.000 2.081 56 R HA 0.007 4.347 4.340 0.001 0.000 0.235 56 R C 2.526 178.606 176.300 -0.367 0.000 1.131 56 R CA 1.163 57.130 56.100 -0.221 0.000 0.960 56 R CB -0.286 29.899 30.300 -0.191 0.000 0.856 56 R HN 0.320 nan 8.270 nan 0.000 0.436 57 M N 0.758 120.013 119.600 -0.574 0.000 2.175 57 M HA -0.138 4.342 4.480 0.001 0.000 0.264 57 M C 2.164 178.025 176.300 -0.733 0.000 1.063 57 M CA 1.482 56.285 55.300 -0.827 0.000 1.119 57 M CB -0.687 31.152 32.600 -1.269 0.000 1.377 57 M HN 0.064 nan 8.290 nan 0.000 0.415 58 K N 0.671 120.867 120.400 -0.340 0.000 2.057 58 K HA -0.192 4.129 4.320 0.001 0.000 0.207 58 K C 1.723 178.261 176.600 -0.102 0.000 1.049 58 K CA 1.650 57.907 56.287 -0.049 0.000 0.931 58 K CB 0.017 32.575 32.500 0.095 0.000 0.714 58 K HN 0.345 nan 8.250 nan 0.000 0.440 59 E N 0.326 120.442 120.200 -0.140 0.000 2.118 59 E HA -0.223 4.128 4.350 0.001 0.000 0.195 59 E C 2.005 178.496 176.600 -0.182 0.000 0.992 59 E CA 1.397 57.721 56.400 -0.126 0.000 0.804 59 E CB 0.038 29.668 29.700 -0.116 0.000 0.741 59 E HN 0.266 nan 8.360 nan 0.000 0.458 60 K N -0.383 119.829 120.400 -0.313 0.000 2.116 60 K HA -0.090 4.231 4.320 0.001 0.000 0.203 60 K C 1.538 177.826 176.600 -0.520 0.000 1.052 60 K CA 1.061 57.066 56.287 -0.468 0.000 0.952 60 K CB 0.268 32.358 32.500 -0.682 0.000 0.729 60 K HN 0.207 nan 8.250 nan 0.000 0.446 61 H N -1.488 117.445 119.070 -0.227 0.000 3.058 61 H HA 0.233 4.790 4.556 0.001 0.000 0.258 61 H C 0.930 176.255 175.328 -0.005 0.000 1.015 61 H CA 0.725 56.694 56.048 -0.133 0.000 1.210 61 H CB 1.419 31.046 29.762 -0.226 0.000 1.481 61 H HN 0.412 nan 8.280 nan 0.000 0.492 62 G N 1.396 110.262 108.800 0.110 0.000 2.548 62 G HA2 -0.243 3.717 3.960 0.001 0.000 0.208 62 G HA3 -0.243 3.717 3.960 0.001 0.000 0.208 62 G C -0.130 174.907 174.900 0.229 0.000 1.308 62 G CA 0.044 45.226 45.100 0.136 0.000 0.924 62 G HN 0.205 nan 8.290 nan 0.000 0.540 63 D N -0.148 120.341 120.400 0.148 0.000 2.347 63 D HA 0.180 4.821 4.640 0.001 0.000 0.215 63 D C 0.995 177.303 176.300 0.014 0.000 0.976 63 D CA 1.346 55.412 54.000 0.110 0.000 0.884 63 D CB 0.414 41.255 40.800 0.068 0.000 0.915 63 D HN 0.510 nan 8.370 nan 0.000 0.526 64 I N 0.251 120.805 120.570 -0.027 0.000 2.607 64 I HA 0.367 4.537 4.170 0.001 0.000 0.290 64 I C -1.762 174.244 176.117 -0.186 0.000 1.129 64 I CA -0.922 60.203 61.300 -0.292 0.000 1.042 64 I CB 1.211 38.929 38.000 -0.471 0.000 1.242 64 I HN -0.230 nan 8.210 nan 0.000 0.421 65 F N 2.654 122.462 119.950 -0.237 0.000 2.719 65 F HA 0.642 5.170 4.527 0.001 0.000 0.309 65 F C -1.441 174.228 175.800 -0.219 0.000 1.138 65 F CA -0.746 57.090 58.000 -0.273 0.000 0.943 65 F CB 1.357 40.157 39.000 -0.334 0.000 1.304 65 F HN 0.161 nan 8.300 nan 0.000 0.445 66 T N 3.368 117.919 114.554 -0.006 0.000 2.797 66 T HA 0.750 5.100 4.350 0.001 0.000 0.279 66 T C -0.418 174.348 174.700 0.109 0.000 0.991 66 T CA -0.503 61.598 62.100 0.002 0.000 0.979 66 T CB 1.208 70.068 68.868 -0.014 0.000 0.943 66 T HN 0.750 nan 8.240 nan 0.000 0.444 67 I N 0.608 121.259 120.570 0.135 0.000 2.646 67 I HA 0.723 4.893 4.170 0.001 0.000 0.299 67 I C -0.905 175.273 176.117 0.101 0.000 1.036 67 I CA -1.636 59.790 61.300 0.210 0.000 1.074 67 I CB 1.520 39.708 38.000 0.312 0.000 1.258 67 I HN 0.366 nan 8.210 nan 0.000 0.430 68 L N 6.116 127.390 121.223 0.086 0.000 2.290 68 L HA 0.569 4.910 4.340 0.001 0.000 0.284 68 L C -0.761 175.960 176.870 -0.248 0.000 1.078 68 L CA 0.111 54.819 54.840 -0.219 0.000 0.815 68 L CB 1.186 43.110 42.059 -0.225 0.000 1.162 68 L HN 0.530 nan 8.230 nan 0.000 0.435 69 V N 5.220 124.876 119.914 -0.429 0.000 2.462 69 V HA 0.464 4.584 4.120 0.001 0.000 0.288 69 V C 0.662 176.419 176.094 -0.562 0.000 1.020 69 V CA -0.316 61.730 62.300 -0.423 0.000 0.857 69 V CB 1.051 32.586 31.823 -0.481 0.000 1.013 69 V HN 0.993 nan 8.190 nan 0.000 0.431 70 G N 3.581 112.003 108.800 -0.629 0.000 2.386 70 G HA2 0.095 4.056 3.960 0.001 0.000 0.295 70 G HA3 0.095 4.056 3.960 0.001 0.000 0.295 70 G C 1.298 175.232 174.900 -1.610 0.000 0.979 70 G CA 1.046 45.532 45.100 -1.024 0.000 1.193 70 G HN 2.315 nan 8.290 nan 0.000 0.508 71 G N -1.042 106.631 108.800 -1.879 0.000 2.267 71 G HA2 -0.297 3.663 3.960 0.001 0.000 0.257 71 G HA3 -0.297 3.663 3.960 0.001 0.000 0.257 71 G C 0.699 175.090 174.900 -0.847 0.000 0.998 71 G CA 0.978 45.181 45.100 -1.495 0.000 0.620 71 G HN 0.963 nan 8.290 nan 0.000 0.529 72 R N -0.212 119.836 120.500 -0.754 0.000 2.486 72 R HA 0.583 4.924 4.340 0.001 0.000 0.286 72 R C -0.852 175.034 176.300 -0.690 0.000 0.999 72 R CA -0.777 54.994 56.100 -0.548 0.000 0.993 72 R CB 0.560 30.643 30.300 -0.362 0.000 1.084 72 R HN 0.249 nan 8.270 nan 0.000 0.487 73 Y N 0.546 120.737 120.300 -0.183 0.000 2.367 73 Y HA 0.279 4.829 4.550 0.001 0.000 0.342 73 Y C 0.312 176.112 175.900 -0.167 0.000 0.979 73 Y CA -0.598 57.410 58.100 -0.153 0.000 1.161 73 Y CB 1.382 39.778 38.460 -0.107 0.000 1.155 73 Y HN 0.079 nan 8.280 nan 0.000 0.503 74 V N 3.751 123.612 119.914 -0.089 0.000 2.357 74 V HA 0.296 4.417 4.120 0.001 0.000 0.284 74 V C -0.051 175.950 176.094 -0.155 0.000 1.018 74 V CA -0.777 61.417 62.300 -0.177 0.000 0.841 74 V CB 1.480 33.108 31.823 -0.326 0.000 0.991 74 V HN 0.757 nan 8.190 nan 0.000 0.437 75 T N 5.049 119.504 114.554 -0.165 0.000 2.743 75 T HA 0.455 4.805 4.350 0.001 0.000 0.293 75 T C -0.074 174.432 174.700 -0.324 0.000 0.945 75 T CA -0.152 61.814 62.100 -0.223 0.000 1.030 75 T CB 1.184 69.956 68.868 -0.160 0.000 0.912 75 T HN 0.358 nan 8.240 nan 0.000 0.483 76 V N 5.538 125.125 119.914 -0.546 0.000 2.427 76 V HA 0.457 4.577 4.120 0.001 0.000 0.286 76 V C -0.067 175.680 176.094 -0.579 0.000 1.034 76 V CA -0.845 61.089 62.300 -0.611 0.000 0.893 76 V CB 1.590 32.898 31.823 -0.858 0.000 0.982 76 V HN 0.685 nan 8.190 nan 0.000 0.452 77 L N 6.070 127.134 121.223 -0.267 0.000 2.325 77 L HA 0.538 4.878 4.340 0.001 0.000 0.281 77 L C -0.214 176.733 176.870 0.128 0.000 1.004 77 L CA -0.369 54.423 54.840 -0.081 0.000 0.823 77 L CB 1.668 43.748 42.059 0.034 0.000 1.236 77 L HN 0.680 nan 8.230 nan 0.000 0.415 78 L N 2.967 124.257 121.223 0.112 0.000 3.016 78 L HA 0.236 4.576 4.340 0.001 0.000 0.267 78 L C -0.248 176.636 176.870 0.023 0.000 1.182 78 L CA -0.146 54.802 54.840 0.179 0.000 0.997 78 L CB 0.617 42.765 42.059 0.148 0.000 1.354 78 L HN 0.538 nan 8.230 nan 0.000 0.569 79 D N 1.949 122.323 120.400 -0.045 0.000 2.365 79 D HA 0.138 4.779 4.640 0.001 0.000 0.237 79 D C -1.363 174.591 176.300 -0.577 0.000 1.190 79 D CA -2.129 51.767 54.000 -0.173 0.000 0.867 79 D CB 1.420 42.216 40.800 -0.007 0.000 1.050 79 D HN -0.092 nan 8.370 nan 0.000 0.491 80 P HA -0.173 nan 4.420 nan 0.000 0.220 80 P C 0.975 177.941 177.300 -0.556 0.000 1.148 80 P CA 0.959 63.411 63.100 -1.080 0.000 0.803 80 P CB 0.142 31.480 31.700 -0.605 0.000 0.782 81 H N -0.092 118.841 119.070 -0.228 0.000 2.421 81 H HA 0.029 4.586 4.556 0.001 0.000 0.298 81 H C 1.626 176.940 175.328 -0.025 0.000 1.087 81 H CA 1.334 57.335 56.048 -0.077 0.000 1.330 81 H CB -0.522 29.221 29.762 -0.031 0.000 1.388 81 H HN 0.182 nan 8.280 nan 0.000 0.526 82 S N 0.273 116.013 115.700 0.067 0.000 2.575 82 S HA 0.004 4.474 4.470 0.001 0.000 0.215 82 S C 1.426 176.173 174.600 0.244 0.000 0.966 82 S CA -0.261 58.026 58.200 0.145 0.000 0.911 82 S CB 0.014 63.302 63.200 0.146 0.000 0.780 82 S HN 0.315 nan 8.310 nan 0.000 0.514 83 Y N 2.325 122.675 120.300 0.083 0.000 2.181 83 Y HA -0.113 4.438 4.550 0.001 0.000 0.288 83 Y C 2.363 178.306 175.900 0.072 0.000 1.146 83 Y CA 0.320 58.455 58.100 0.058 0.000 1.164 83 Y CB -1.162 37.318 38.460 0.034 0.000 0.982 83 Y HN 0.255 nan 8.280 nan 0.000 0.515 84 D N -0.290 120.276 120.400 0.277 0.000 2.116 84 D HA -0.194 4.446 4.640 0.001 0.000 0.193 84 D C 2.250 178.741 176.300 0.318 0.000 0.998 84 D CA 1.639 55.804 54.000 0.275 0.000 0.836 84 D CB -0.227 40.731 40.800 0.265 0.000 0.951 84 D HN 0.212 nan 8.370 nan 0.000 0.449 85 A N -0.161 122.811 122.820 0.254 0.000 1.877 85 A HA -0.121 4.200 4.320 0.001 0.000 0.216 85 A C 2.620 180.337 177.584 0.222 0.000 1.186 85 A CA 1.760 53.938 52.037 0.236 0.000 0.620 85 A CB -0.967 18.138 19.000 0.175 0.000 0.822 85 A HN 0.204 nan 8.150 nan 0.000 0.443 86 V N 0.446 120.467 119.914 0.178 0.000 2.282 86 V HA -0.290 3.831 4.120 0.001 0.000 0.249 86 V C 2.693 178.849 176.094 0.104 0.000 1.057 86 V CA 2.275 64.656 62.300 0.135 0.000 1.032 86 V CB -1.001 30.886 31.823 0.107 0.000 0.645 86 V HN 0.644 nan 8.190 nan 0.000 0.447 87 V N -4.044 115.877 119.914 0.012 0.000 3.141 87 V HA -0.097 4.024 4.120 0.001 0.000 0.265 87 V C 1.737 177.677 176.094 -0.256 0.000 1.126 87 V CA 1.147 63.349 62.300 -0.163 0.000 1.141 87 V CB -1.025 30.597 31.823 -0.336 0.000 0.743 87 V HN 0.646 nan 8.190 nan 0.000 0.492 88 W N -0.366 120.961 121.300 0.045 0.000 3.127 88 W HA 0.382 5.043 4.660 0.001 0.000 0.344 88 W C 0.951 177.585 176.519 0.191 0.000 1.151 88 W CA -0.705 56.611 57.345 -0.049 0.000 1.765 88 W CB 0.504 29.915 29.460 -0.080 0.000 1.085 88 W HN 0.068 nan 8.180 nan 0.000 0.596 89 E N 2.783 123.229 120.200 0.411 0.000 2.442 89 E HA -0.020 4.331 4.350 0.001 0.000 0.262 89 E C -1.964 174.892 176.600 0.426 0.000 1.004 89 E CA -0.967 55.641 56.400 0.347 0.000 0.928 89 E CB 0.115 29.958 29.700 0.238 0.000 0.937 89 E HN -0.166 nan 8.360 nan 0.000 0.446 90 P HA 0.089 nan 4.420 nan 0.000 0.272 90 P C 0.459 177.872 177.300 0.189 0.000 1.230 90 P CA -0.157 63.110 63.100 0.277 0.000 0.788 90 P CB 0.715 32.533 31.700 0.197 0.000 0.949 91 R N 0.336 120.906 120.500 0.116 0.000 2.211 91 R HA -0.106 4.235 4.340 0.001 0.000 0.240 91 R C 1.775 178.050 176.300 -0.042 0.000 1.144 91 R CA 2.048 58.090 56.100 -0.098 0.000 0.992 91 R CB -0.726 29.368 30.300 -0.343 0.000 0.869 91 R HN 0.654 nan 8.270 nan 0.000 0.462 92 T N -2.862 111.702 114.554 0.017 0.000 3.035 92 T HA -0.016 4.335 4.350 0.001 0.000 0.268 92 T C 1.705 176.425 174.700 0.034 0.000 1.109 92 T CA 0.627 62.739 62.100 0.020 0.000 1.119 92 T CB 0.079 68.968 68.868 0.034 0.000 0.900 92 T HN 0.252 nan 8.240 nan 0.000 0.503 93 R N -0.279 120.255 120.500 0.057 0.000 2.144 93 R HA 0.481 4.822 4.340 0.001 0.000 0.195 93 R C 0.006 176.344 176.300 0.062 0.000 1.077 93 R CA 0.132 56.270 56.100 0.064 0.000 1.120 93 R CB 0.429 30.782 30.300 0.087 0.000 1.060 93 R HN 0.265 nan 8.270 nan 0.000 0.520 94 L N 2.071 123.347 121.223 0.089 0.000 2.372 94 L HA 0.307 4.647 4.340 0.001 0.000 0.273 94 L C -1.265 175.656 176.870 0.086 0.000 0.989 94 L CA -0.864 54.031 54.840 0.092 0.000 0.841 94 L CB 1.888 44.023 42.059 0.127 0.000 1.225 94 L HN 0.019 nan 8.230 nan 0.000 0.414 95 D N 2.979 123.387 120.400 0.013 0.000 2.339 95 D HA 0.072 4.713 4.640 0.001 0.000 0.256 95 D C 0.432 176.727 176.300 -0.008 0.000 1.214 95 D CA -0.127 53.818 54.000 -0.091 0.000 0.877 95 D CB 0.805 41.559 40.800 -0.077 0.000 1.111 95 D HN 0.354 nan 8.370 nan 0.000 0.478 96 F N 2.205 122.185 119.950 0.050 0.000 2.727 96 F HA 0.271 4.799 4.527 0.001 0.000 0.302 96 F C 1.217 177.123 175.800 0.177 0.000 1.097 96 F CA -0.362 57.691 58.000 0.087 0.000 1.330 96 F CB -0.310 38.719 39.000 0.049 0.000 1.084 96 F HN 0.373 nan 8.300 nan 0.000 0.578 97 H N 0.374 119.353 119.070 -0.150 0.000 2.648 97 H HA 0.471 5.028 4.556 0.001 0.000 0.265 97 H C 2.007 177.365 175.328 0.050 0.000 0.961 97 H CA 0.405 56.429 56.048 -0.040 0.000 1.185 97 H CB 0.227 29.852 29.762 -0.228 0.000 1.449 97 H HN 0.189 nan 8.280 nan 0.000 0.523 98 A N 0.037 122.880 122.820 0.037 0.000 1.902 98 A HA -0.222 4.098 4.320 0.001 0.000 0.217 98 A C 2.055 179.708 177.584 0.114 0.000 1.181 98 A CA 1.665 53.721 52.037 0.033 0.000 0.623 98 A CB -1.063 17.969 19.000 0.053 0.000 0.818 98 A HN 0.578 nan 8.150 nan 0.000 0.443 99 Y N 0.634 120.973 120.300 0.065 0.000 2.200 99 Y HA -0.034 4.516 4.550 0.001 0.000 0.290 99 Y C 2.675 178.691 175.900 0.193 0.000 1.137 99 Y CA 0.908 59.093 58.100 0.142 0.000 1.163 99 Y CB -0.777 37.766 38.460 0.139 0.000 0.988 99 Y HN 0.311 nan 8.280 nan 0.000 0.518 100 A N 0.529 123.338 122.820 -0.019 0.000 1.917 100 A HA -0.239 4.082 4.320 0.001 0.000 0.219 100 A C 2.328 179.820 177.584 -0.154 0.000 1.182 100 A CA 2.326 54.306 52.037 -0.096 0.000 0.633 100 A CB -1.259 17.744 19.000 0.006 0.000 0.819 100 A HN 0.568 nan 8.150 nan 0.000 0.448 101 I N -2.071 118.368 120.570 -0.219 0.000 2.226 101 I HA -0.221 3.950 4.170 0.001 0.000 0.245 101 I C 2.349 178.451 176.117 -0.025 0.000 1.100 101 I CA 1.643 62.856 61.300 -0.144 0.000 1.374 101 I CB -0.375 37.527 38.000 -0.163 0.000 1.057 101 I HN 0.485 nan 8.210 nan 0.000 0.413 102 F N 1.287 121.166 119.950 -0.118 0.000 2.069 102 F HA -0.284 4.243 4.527 0.001 0.000 0.298 102 F C 2.264 178.009 175.800 -0.091 0.000 1.113 102 F CA 1.632 59.592 58.000 -0.067 0.000 1.214 102 F CB -0.217 38.792 39.000 0.014 0.000 0.978 102 F HN -0.072 nan 8.300 nan 0.000 0.474 103 L N 0.464 121.568 121.223 -0.199 0.000 2.012 103 L HA -0.237 4.104 4.340 0.001 0.000 0.210 103 L C 2.304 179.160 176.870 -0.022 0.000 1.073 103 L CA 2.040 56.767 54.840 -0.187 0.000 0.748 103 L CB -0.739 41.190 42.059 -0.215 0.000 0.891 103 L HN 0.283 nan 8.230 nan 0.000 0.431 104 M N -1.128 118.464 119.600 -0.014 0.000 2.067 104 M HA -0.212 4.269 4.480 0.001 0.000 0.260 104 M C 2.130 178.446 176.300 0.027 0.000 1.069 104 M CA 2.092 57.427 55.300 0.058 0.000 1.117 104 M CB -0.448 32.184 32.600 0.054 0.000 1.334 104 M HN 0.254 nan 8.290 nan 0.000 0.407 105 E N -0.439 119.728 120.200 -0.055 0.000 2.086 105 E HA -0.076 4.274 4.350 0.001 0.000 0.190 105 E C 2.117 178.641 176.600 -0.125 0.000 0.975 105 E CA 0.774 57.133 56.400 -0.067 0.000 0.813 105 E CB 0.057 29.724 29.700 -0.055 0.000 0.768 105 E HN 0.476 nan 8.360 nan 0.000 0.457 106 R N -0.063 120.273 120.500 -0.273 0.000 2.189 106 R HA 0.115 4.456 4.340 0.001 0.000 0.203 106 R C 1.991 178.060 176.300 -0.384 0.000 1.012 106 R CA 0.337 56.227 56.100 -0.350 0.000 1.015 106 R CB 0.355 30.344 30.300 -0.519 0.000 0.938 106 R HN 0.118 nan 8.270 nan 0.000 0.472 107 I N -0.798 119.507 120.570 -0.441 0.000 2.810 107 I HA 0.012 4.183 4.170 0.001 0.000 0.262 107 I C 1.173 176.974 176.117 -0.527 0.000 1.131 107 I CA 1.206 62.216 61.300 -0.485 0.000 1.453 107 I CB -0.349 37.352 38.000 -0.500 0.000 1.161 107 I HN -0.002 nan 8.210 nan 0.000 0.444 108 F N 1.062 120.930 119.950 -0.135 0.000 2.682 108 F HA 0.196 4.724 4.527 0.001 0.000 0.308 108 F C 0.205 176.060 175.800 0.091 0.000 1.093 108 F CA -0.272 57.735 58.000 0.012 0.000 1.244 108 F CB 0.057 39.077 39.000 0.033 0.000 1.052 108 F HN 0.038 nan 8.300 nan 0.000 0.573 109 D N 0.479 120.948 120.400 0.114 0.000 2.870 109 D HA -0.141 4.500 4.640 0.001 0.000 0.228 109 D C -0.481 175.803 176.300 -0.026 0.000 1.147 109 D CA 0.328 54.353 54.000 0.041 0.000 0.757 109 D CB -1.661 39.203 40.800 0.108 0.000 1.091 109 D HN 0.029 nan 8.370 nan 0.000 0.429 110 V N 1.094 121.020 119.914 0.021 0.000 2.370 110 V HA 0.228 4.349 4.120 0.001 0.000 0.279 110 V C 0.522 176.609 176.094 -0.012 0.000 1.029 110 V CA -0.280 62.016 62.300 -0.007 0.000 0.870 110 V CB 1.940 33.796 31.823 0.055 0.000 0.984 110 V HN 0.002 nan 8.190 nan 0.000 0.451 111 Q N 5.523 125.300 119.800 -0.039 0.000 2.327 111 Q HA 0.634 4.974 4.340 0.001 0.000 0.270 111 Q C -1.312 174.673 176.000 -0.024 0.000 1.022 111 Q CA -0.453 55.333 55.803 -0.028 0.000 0.773 111 Q CB 2.780 31.491 28.738 -0.045 0.000 1.251 111 Q HN 0.612 nan 8.270 nan 0.000 0.457 112 L N 2.593 123.827 121.223 0.019 0.000 2.333 112 L HA 0.623 4.964 4.340 0.001 0.000 0.269 112 L C -2.056 174.837 176.870 0.039 0.000 1.010 112 L CA -2.164 52.696 54.840 0.034 0.000 0.818 112 L CB 1.132 43.255 42.059 0.107 0.000 1.306 112 L HN 0.378 nan 8.230 nan 0.000 0.430 113 P HA 0.118 nan 4.420 nan 0.000 0.271 113 P C -1.000 176.360 177.300 0.099 0.000 1.244 113 P CA -0.397 62.722 63.100 0.032 0.000 0.793 113 P CB 0.204 31.943 31.700 0.065 0.000 0.984 114 H N -0.332 118.798 119.070 0.100 0.000 3.094 114 H HA 0.217 4.774 4.556 0.001 0.000 0.320 114 H C -0.203 175.223 175.328 0.163 0.000 1.000 114 H CA 1.118 57.204 56.048 0.063 0.000 1.413 114 H CB -0.585 29.190 29.762 0.021 0.000 1.405 114 H HN 0.383 nan 8.280 nan 0.000 0.586 115 Y N -1.073 119.319 120.300 0.154 0.000 2.571 115 Y HA 0.392 4.943 4.550 0.001 0.000 0.341 115 Y C -0.490 175.457 175.900 0.079 0.000 1.076 115 Y CA -1.441 56.737 58.100 0.130 0.000 1.029 115 Y CB 1.013 39.580 38.460 0.177 0.000 1.308 115 Y HN 0.541 nan 8.280 nan 0.000 0.461 116 S N 3.538 119.356 115.700 0.198 0.000 2.465 116 S HA 0.242 4.712 4.470 0.001 0.000 0.280 116 S C -1.786 172.882 174.600 0.113 0.000 1.232 116 S CA -1.010 57.237 58.200 0.078 0.000 1.066 116 S CB 0.443 63.702 63.200 0.099 0.000 0.929 116 S HN 0.637 nan 8.310 nan 0.000 0.494 117 P HA -0.115 nan 4.420 nan 0.000 0.217 117 P C 1.698 179.085 177.300 0.145 0.000 1.150 117 P CA 1.259 64.316 63.100 -0.071 0.000 0.832 117 P CB -0.065 31.389 31.700 -0.410 0.000 0.787 118 S N -1.030 114.758 115.700 0.146 0.000 2.368 118 S HA -0.162 4.309 4.470 0.001 0.000 0.224 118 S C 1.775 176.459 174.600 0.140 0.000 1.029 118 S CA 1.387 59.696 58.200 0.181 0.000 0.988 118 S CB -1.420 61.889 63.200 0.182 0.000 0.838 118 S HN 0.008 nan 8.310 nan 0.000 0.462 119 D N 1.556 122.028 120.400 0.120 0.000 2.144 119 D HA -0.068 4.573 4.640 0.001 0.000 0.199 119 D C 2.031 178.368 176.300 0.062 0.000 0.984 119 D CA 1.504 55.558 54.000 0.091 0.000 0.834 119 D CB -0.382 40.473 40.800 0.092 0.000 0.955 119 D HN 0.585 nan 8.370 nan 0.000 0.465 120 E N 1.191 121.447 120.200 0.092 0.000 2.072 120 E HA -0.093 4.257 4.350 0.001 0.000 0.190 120 E C 1.760 178.386 176.600 0.043 0.000 0.982 120 E CA 1.156 57.558 56.400 0.004 0.000 0.803 120 E CB 0.009 29.763 29.700 0.090 0.000 0.755 120 E HN 0.078 nan 8.360 nan 0.000 0.453 121 K N -0.122 120.351 120.400 0.123 0.000 2.097 121 K HA -0.076 4.245 4.320 0.001 0.000 0.206 121 K C 2.101 178.759 176.600 0.097 0.000 1.049 121 K CA 1.055 57.420 56.287 0.130 0.000 0.933 121 K CB -0.211 32.392 32.500 0.171 0.000 0.717 121 K HN 0.209 nan 8.250 nan 0.000 0.442 122 A N 1.634 124.507 122.820 0.087 0.000 1.902 122 A HA -0.198 4.123 4.320 0.001 0.000 0.217 122 A C 2.121 179.733 177.584 0.047 0.000 1.181 122 A CA 1.372 53.452 52.037 0.072 0.000 0.623 122 A CB -0.459 18.582 19.000 0.069 0.000 0.818 122 A HN 0.217 nan 8.150 nan 0.000 0.443 123 R N -1.135 119.373 120.500 0.014 0.000 2.070 123 R HA -0.097 4.244 4.340 0.001 0.000 0.233 123 R C 2.249 178.548 176.300 -0.002 0.000 1.137 123 R CA 1.915 58.004 56.100 -0.017 0.000 0.945 123 R CB -0.332 29.912 30.300 -0.094 0.000 0.845 123 R HN 0.556 nan 8.270 nan 0.000 0.430 124 M N 0.858 120.461 119.600 0.004 0.000 2.175 124 M HA -0.171 4.310 4.480 0.001 0.000 0.264 124 M C 2.268 178.622 176.300 0.090 0.000 1.063 124 M CA 1.629 56.955 55.300 0.044 0.000 1.119 124 M CB -0.062 32.573 32.600 0.057 0.000 1.377 124 M HN 0.045 nan 8.290 nan 0.000 0.415 125 K N 0.483 120.931 120.400 0.080 0.000 2.059 125 K HA -0.218 4.103 4.320 0.001 0.000 0.212 125 K C 1.590 178.226 176.600 0.059 0.000 1.050 125 K CA 1.802 58.135 56.287 0.076 0.000 0.927 125 K CB -0.356 32.192 32.500 0.080 0.000 0.714 125 K HN 0.410 nan 8.250 nan 0.000 0.447 126 L N 0.733 121.996 121.223 0.068 0.000 2.376 126 L HA -0.077 4.264 4.340 0.001 0.000 0.219 126 L C 2.338 179.251 176.870 0.071 0.000 1.133 126 L CA 1.300 56.191 54.840 0.086 0.000 0.816 126 L CB -0.474 41.643 42.059 0.096 0.000 0.933 126 L HN 0.459 nan 8.230 nan 0.000 0.449 127 T N -3.023 111.570 114.554 0.066 0.000 3.118 127 T HA -0.003 4.347 4.350 0.001 0.000 0.260 127 T C 1.253 175.978 174.700 0.041 0.000 1.139 127 T CA 0.582 62.724 62.100 0.070 0.000 1.085 127 T CB -0.075 68.862 68.868 0.114 0.000 0.934 127 T HN 0.288 nan 8.240 nan 0.000 0.518 128 L N 0.197 121.430 121.223 0.016 0.000 3.014 128 L HA 0.544 4.884 4.340 0.001 0.000 0.263 128 L C -0.150 176.671 176.870 -0.083 0.000 1.207 128 L CA -0.238 54.575 54.840 -0.045 0.000 1.017 128 L CB 0.325 42.373 42.059 -0.018 0.000 1.360 128 L HN 0.197 nan 8.230 nan 0.000 0.560 129 L N -2.461 118.696 121.223 -0.111 0.000 2.277 129 L HA 0.567 4.908 4.340 0.001 0.000 0.254 129 L C 0.281 177.030 176.870 -0.202 0.000 1.044 129 L CA -0.928 53.738 54.840 -0.289 0.000 0.842 129 L CB 1.570 43.279 42.059 -0.584 0.000 1.422 129 L HN 0.110 nan 8.230 nan 0.000 0.422 130 H N -0.800 118.271 119.070 0.001 0.000 1.452 130 H HA -0.225 4.332 4.556 0.001 0.000 0.090 130 H C 0.956 176.282 175.328 -0.003 0.000 0.789 130 H CA 0.973 57.020 56.048 -0.000 0.000 1.901 130 H CB -0.781 28.981 29.762 0.001 0.000 2.257 130 H HN 0.482 nan 8.280 nan 0.000 0.961 131 R N 1.050 121.641 120.500 0.151 0.000 2.148 131 R HA -0.045 4.296 4.340 0.001 0.000 0.223 131 R C 1.815 178.136 176.300 0.036 0.000 1.088 131 R CA 1.241 57.381 56.100 0.068 0.000 0.985 131 R CB -0.306 30.024 30.300 0.049 0.000 0.880 131 R HN 0.507 nan 8.270 nan 0.000 0.451 132 E N 0.853 121.074 120.200 0.035 0.000 2.106 132 E HA -0.130 4.220 4.350 0.001 0.000 0.192 132 E C 1.995 178.570 176.600 -0.041 0.000 0.984 132 E CA 0.519 56.915 56.400 -0.006 0.000 0.806 132 E CB -0.336 29.365 29.700 0.001 0.000 0.750 132 E HN 0.109 nan 8.360 nan 0.000 0.458 133 L N 1.639 122.840 121.223 -0.037 0.000 2.042 133 L HA -0.210 4.131 4.340 0.001 0.000 0.210 133 L C 2.444 179.307 176.870 -0.011 0.000 1.076 133 L CA 1.930 56.742 54.840 -0.047 0.000 0.749 133 L CB -0.633 41.397 42.059 -0.048 0.000 0.893 133 L HN 0.104 nan 8.230 nan 0.000 0.432 134 Q N -0.830 118.973 119.800 0.005 0.000 2.061 134 Q HA -0.233 4.108 4.340 0.001 0.000 0.204 134 Q C 2.125 178.139 176.000 0.024 0.000 0.984 134 Q CA 1.959 57.772 55.803 0.017 0.000 0.846 134 Q CB -0.214 28.535 28.738 0.020 0.000 0.902 134 Q HN 0.677 nan 8.270 nan 0.000 0.421 135 A N 0.697 123.527 122.820 0.016 0.000 1.902 135 A HA -0.157 4.164 4.320 0.001 0.000 0.217 135 A C 2.064 179.669 177.584 0.033 0.000 1.181 135 A CA 1.143 53.201 52.037 0.035 0.000 0.623 135 A CB -0.687 18.319 19.000 0.010 0.000 0.818 135 A HN 0.441 nan 8.150 nan 0.000 0.443 136 L N -0.806 120.390 121.223 -0.044 0.000 2.017 136 L HA -0.169 4.172 4.340 0.001 0.000 0.208 136 L C 2.806 179.716 176.870 0.067 0.000 1.073 136 L CA 1.849 56.623 54.840 -0.111 0.000 0.745 136 L CB -0.855 40.943 42.059 -0.435 0.000 0.894 136 L HN 0.351 nan 8.230 nan 0.000 0.432 137 T N -0.963 113.660 114.554 0.116 0.000 2.821 137 T HA -0.176 4.174 4.350 0.001 0.000 0.267 137 T C 1.726 176.508 174.700 0.137 0.000 1.046 137 T CA 1.256 63.461 62.100 0.175 0.000 1.139 137 T CB -0.123 68.815 68.868 0.117 0.000 0.871 137 T HN 0.373 nan 8.240 nan 0.000 0.454 138 E N 1.018 121.276 120.200 0.097 0.000 2.047 138 E HA -0.025 4.326 4.350 0.001 0.000 0.191 138 E C 2.556 179.231 176.600 0.125 0.000 0.987 138 E CA 0.973 57.428 56.400 0.092 0.000 0.799 138 E CB -0.200 29.536 29.700 0.060 0.000 0.752 138 E HN 0.461 nan 8.360 nan 0.000 0.449 139 A N 0.877 123.777 122.820 0.132 0.000 1.930 139 A HA -0.195 4.126 4.320 0.001 0.000 0.217 139 A C 2.102 179.763 177.584 0.127 0.000 1.175 139 A CA 1.407 53.522 52.037 0.129 0.000 0.627 139 A CB -0.391 18.731 19.000 0.203 0.000 0.815 139 A HN 0.187 nan 8.150 nan 0.000 0.443 140 M N -1.674 118.026 119.600 0.167 0.000 2.117 140 M HA -0.135 4.345 4.480 0.001 0.000 0.262 140 M C 1.935 178.315 176.300 0.134 0.000 1.065 140 M CA 1.807 57.210 55.300 0.173 0.000 1.114 140 M CB -0.798 31.959 32.600 0.261 0.000 1.361 140 M HN 0.519 nan 8.290 nan 0.000 0.408 141 Y N 0.201 120.529 120.300 0.047 0.000 2.145 141 Y HA -0.213 4.337 4.550 0.001 0.000 0.286 141 Y C 2.095 178.012 175.900 0.030 0.000 1.145 141 Y CA 2.436 60.548 58.100 0.021 0.000 1.148 141 Y CB -0.853 37.593 38.460 -0.024 0.000 0.981 141 Y HN 0.298 nan 8.280 nan 0.000 0.507 142 T N 0.854 115.432 114.554 0.041 0.000 2.720 142 T HA -0.199 4.152 4.350 0.001 0.000 0.268 142 T C 1.647 176.323 174.700 -0.039 0.000 1.037 142 T CA 1.650 63.735 62.100 -0.026 0.000 1.144 142 T CB -0.310 68.569 68.868 0.018 0.000 0.864 142 T HN 0.405 nan 8.240 nan 0.000 0.444 143 N N 1.029 119.725 118.700 -0.008 0.000 2.216 143 N HA 0.084 4.825 4.740 0.001 0.000 0.183 143 N C 1.944 177.436 175.510 -0.029 0.000 1.017 143 N CA 0.671 53.724 53.050 0.005 0.000 0.861 143 N CB -0.419 38.093 38.487 0.041 0.000 0.986 143 N HN 0.328 nan 8.380 nan 0.000 0.428 144 L N 0.580 121.763 121.223 -0.067 0.000 2.017 144 L HA -0.195 4.146 4.340 0.001 0.000 0.208 144 L C 2.573 179.330 176.870 -0.189 0.000 1.073 144 L CA 1.239 56.023 54.840 -0.093 0.000 0.745 144 L CB -0.581 41.443 42.059 -0.058 0.000 0.894 144 L HN 0.362 nan 8.230 nan 0.000 0.432 145 H N 0.191 119.015 119.070 -0.410 0.000 2.321 145 H HA -0.164 4.393 4.556 0.001 0.000 0.300 145 H C 2.091 177.273 175.328 -0.244 0.000 1.087 145 H CA 1.702 57.490 56.048 -0.434 0.000 1.319 145 H CB 0.281 29.691 29.762 -0.588 0.000 1.379 145 H HN 0.334 nan 8.280 nan 0.000 0.501 146 A N 0.599 123.378 122.820 -0.069 0.000 1.883 146 A HA -0.115 4.205 4.320 0.001 0.000 0.217 146 A C 2.889 180.426 177.584 -0.078 0.000 1.186 146 A CA 1.915 53.926 52.037 -0.045 0.000 0.624 146 A CB -0.918 18.098 19.000 0.027 0.000 0.822 146 A HN 0.314 nan 8.150 nan 0.000 0.444 147 V N -0.580 119.303 119.914 -0.053 0.000 2.379 147 V HA -0.163 3.957 4.120 0.001 0.000 0.245 147 V C 2.457 178.536 176.094 -0.025 0.000 1.044 147 V CA 1.746 64.061 62.300 0.025 0.000 1.036 147 V CB -0.732 31.153 31.823 0.103 0.000 0.664 147 V HN 0.558 nan 8.190 nan 0.000 0.453 148 L N -0.443 120.605 121.223 -0.293 0.000 2.005 148 L HA -0.089 4.252 4.340 0.001 0.000 0.207 148 L C 2.163 178.807 176.870 -0.377 0.000 1.072 148 L CA 2.039 56.462 54.840 -0.696 0.000 0.744 148 L CB -0.531 41.061 42.059 -0.778 0.000 0.895 148 L HN 0.116 nan 8.230 nan 0.000 0.433 149 L N -0.532 120.476 121.223 -0.359 0.000 2.240 149 L HA 0.047 4.387 4.340 0.001 0.000 0.211 149 L C 2.516 179.302 176.870 -0.140 0.000 1.106 149 L CA 1.469 56.146 54.840 -0.271 0.000 0.793 149 L CB -2.345 39.434 42.059 -0.467 0.000 0.927 149 L HN 0.447 nan 8.230 nan 0.000 0.446 150 G N -0.239 108.490 108.800 -0.118 0.000 2.404 150 G HA2 -0.262 3.699 3.960 0.001 0.000 0.215 150 G HA3 -0.262 3.699 3.960 0.001 0.000 0.215 150 G C 1.251 176.163 174.900 0.019 0.000 1.174 150 G CA 0.620 45.702 45.100 -0.030 0.000 0.780 150 G HN 0.276 nan 8.290 nan 0.000 0.537 151 D N 0.663 121.099 120.400 0.061 0.000 2.144 151 D HA 0.026 4.666 4.640 0.001 0.000 0.199 151 D C 2.752 179.115 176.300 0.106 0.000 0.984 151 D CA 1.195 55.270 54.000 0.125 0.000 0.834 151 D CB -0.238 40.739 40.800 0.296 0.000 0.955 151 D HN 0.295 nan 8.370 nan 0.000 0.465 152 A N -0.385 122.504 122.820 0.115 0.000 1.929 152 A HA -0.089 4.232 4.320 0.001 0.000 0.216 152 A C 2.301 179.926 177.584 0.068 0.000 1.176 152 A CA 1.661 53.779 52.037 0.135 0.000 0.628 152 A CB -0.704 18.428 19.000 0.220 0.000 0.816 152 A HN 0.182 nan 8.150 nan 0.000 0.444 153 T N 0.405 114.978 114.554 0.032 0.000 2.777 153 T HA -0.107 4.244 4.350 0.001 0.000 0.266 153 T C 1.563 176.275 174.700 0.019 0.000 1.040 153 T CA 1.529 63.638 62.100 0.016 0.000 1.141 153 T CB -0.230 68.637 68.868 -0.003 0.000 0.868 153 T HN 0.594 nan 8.240 nan 0.000 0.444 154 E N 0.843 121.054 120.200 0.018 0.000 2.482 154 E HA 0.153 4.503 4.350 0.001 0.000 0.196 154 E C 2.063 178.669 176.600 0.010 0.000 1.047 154 E CA 0.401 56.810 56.400 0.016 0.000 0.869 154 E CB 0.013 29.725 29.700 0.020 0.000 0.836 154 E HN 0.469 nan 8.360 nan 0.000 0.520 155 A N 1.178 123.994 122.820 -0.006 0.000 2.147 155 A HA 0.390 4.710 4.320 0.001 0.000 0.211 155 A C 1.069 178.718 177.584 0.108 0.000 1.160 155 A CA 0.816 52.823 52.037 -0.050 0.000 0.781 155 A CB 0.353 19.140 19.000 -0.356 0.000 0.842 155 A HN 0.250 nan 8.150 nan 0.000 0.475 156 G N -1.221 107.650 108.800 0.119 0.000 2.515 156 G HA2 0.128 4.089 3.960 0.001 0.000 0.686 156 G HA3 0.128 4.089 3.960 0.001 0.000 0.686 156 G C 0.366 175.319 174.900 0.089 0.000 1.274 156 G CA 0.244 45.407 45.100 0.106 0.000 0.874 156 G HN 1.218 nan 8.290 nan 0.000 0.631 157 S N -0.361 115.329 115.700 -0.016 0.000 2.660 157 S HA 0.457 4.928 4.470 0.001 0.000 0.223 157 S C 1.332 175.806 174.600 -0.211 0.000 0.963 157 S CA 1.133 59.278 58.200 -0.093 0.000 0.932 157 S CB -0.020 63.123 63.200 -0.095 0.000 0.775 157 S HN 1.980 nan 8.310 nan 0.000 0.531 158 G N -0.003 108.648 108.800 -0.248 0.000 2.537 158 G HA2 0.482 4.443 3.960 0.001 0.000 0.297 158 G HA3 0.482 4.443 3.960 0.001 0.000 0.297 158 G C -0.823 173.664 174.900 -0.688 0.000 1.310 158 G CA -1.398 43.473 45.100 -0.382 0.000 1.027 158 G HN 0.506 nan 8.290 nan 0.000 0.505 159 W N -0.120 120.897 121.300 -0.471 0.000 2.170 159 W HA 0.397 5.058 4.660 0.001 0.000 0.336 159 W C 0.268 176.346 176.519 -0.735 0.000 1.283 159 W CA 0.170 57.224 57.345 -0.485 0.000 1.224 159 W CB 0.600 29.918 29.460 -0.237 0.000 1.132 159 W HN 0.246 nan 8.180 nan 0.000 0.571 160 H N 1.657 120.742 119.070 0.025 0.000 2.689 160 H HA 0.231 4.787 4.556 0.001 0.000 0.346 160 H C -0.705 174.666 175.328 0.072 0.000 1.037 160 H CA -0.881 55.142 56.048 -0.041 0.000 1.234 160 H CB 1.417 31.038 29.762 -0.235 0.000 1.572 160 H HN 0.370 nan 8.280 nan 0.000 0.524 161 E N 2.966 123.288 120.200 0.203 0.000 2.227 161 E HA 0.428 4.779 4.350 0.001 0.000 0.282 161 E C -0.373 176.347 176.600 0.200 0.000 1.015 161 E CA -0.334 56.165 56.400 0.164 0.000 0.823 161 E CB 2.193 31.947 29.700 0.091 0.000 1.081 161 E HN 0.425 nan 8.360 nan 0.000 0.396 162 M N 0.720 120.444 119.600 0.206 0.000 2.534 162 M HA 0.349 4.830 4.480 0.001 0.000 0.280 162 M C -0.801 175.600 176.300 0.169 0.000 1.217 162 M CA -0.495 54.938 55.300 0.222 0.000 0.893 162 M CB 2.154 34.973 32.600 0.366 0.000 1.730 162 M HN 0.610 nan 8.290 nan 0.000 0.483 163 G N 1.588 110.477 108.800 0.148 0.000 2.442 163 G HA2 0.351 4.311 3.960 0.001 0.000 0.249 163 G HA3 0.351 4.311 3.960 0.001 0.000 0.249 163 G C 0.262 175.267 174.900 0.175 0.000 1.263 163 G CA -0.482 44.692 45.100 0.122 0.000 0.846 163 G HN 0.744 nan 8.290 nan 0.000 0.555 164 L N 2.676 124.011 121.223 0.187 0.000 2.141 164 L HA -0.002 4.339 4.340 0.001 0.000 0.209 164 L C 2.369 179.463 176.870 0.373 0.000 1.094 164 L CA 1.411 56.426 54.840 0.291 0.000 0.763 164 L CB -0.419 41.813 42.059 0.289 0.000 0.908 164 L HN 0.537 nan 8.230 nan 0.000 0.437 165 L N -0.565 120.700 121.223 0.071 0.000 2.044 165 L HA -0.141 4.200 4.340 0.001 0.000 0.205 165 L C 2.165 179.071 176.870 0.060 0.000 1.075 165 L CA 1.964 56.683 54.840 -0.201 0.000 0.747 165 L CB -0.960 40.626 42.059 -0.788 0.000 0.903 165 L HN 0.357 nan 8.230 nan 0.000 0.435 166 D N -0.971 119.482 120.400 0.088 0.000 2.116 166 D HA -0.318 4.322 4.640 0.001 0.000 0.193 166 D C 2.099 178.437 176.300 0.063 0.000 0.998 166 D CA 1.716 55.794 54.000 0.130 0.000 0.836 166 D CB -0.330 40.546 40.800 0.127 0.000 0.951 166 D HN 0.409 nan 8.370 nan 0.000 0.449 167 F N 0.870 120.828 119.950 0.013 0.000 2.051 167 F HA -0.179 4.349 4.527 0.001 0.000 0.296 167 F C 2.572 178.422 175.800 0.084 0.000 1.122 167 F CA 2.027 60.054 58.000 0.044 0.000 1.201 167 F CB -0.515 38.586 39.000 0.168 0.000 0.978 167 F HN -0.107 nan 8.300 nan 0.000 0.472 168 S N -0.602 115.245 115.700 0.244 0.000 2.368 168 S HA -0.203 4.268 4.470 0.001 0.000 0.224 168 S C 1.806 176.243 174.600 -0.272 0.000 1.029 168 S CA 1.170 59.385 58.200 0.024 0.000 0.988 168 S CB -0.804 62.544 63.200 0.247 0.000 0.838 168 S HN 0.500 nan 8.310 nan 0.000 0.462 169 Y N 2.914 123.050 120.300 -0.273 0.000 2.220 169 Y HA -0.123 4.427 4.550 0.001 0.000 0.291 169 Y C 2.889 178.360 175.900 -0.715 0.000 1.129 169 Y CA 0.774 58.702 58.100 -0.286 0.000 1.161 169 Y CB -1.058 37.409 38.460 0.010 0.000 0.997 169 Y HN 0.373 nan 8.280 nan 0.000 0.522 170 S N -0.377 114.718 115.700 -1.008 0.000 2.356 170 S HA -0.214 4.257 4.470 0.001 0.000 0.223 170 S C 2.017 175.973 174.600 -1.073 0.000 1.032 170 S CA 1.479 58.560 58.200 -1.864 0.000 1.005 170 S CB -1.334 60.907 63.200 -1.597 0.000 0.867 170 S HN 0.234 nan 8.310 nan 0.000 0.449 171 F N 1.754 121.298 119.950 -0.677 0.000 2.146 171 F HA 0.224 4.751 4.527 0.001 0.000 0.298 171 F C 2.304 177.787 175.800 -0.528 0.000 1.096 171 F CA 0.360 58.029 58.000 -0.551 0.000 1.275 171 F CB -0.823 37.872 39.000 -0.509 0.000 1.008 171 F HN 0.151 nan 8.300 nan 0.000 0.480 172 L N -0.687 120.227 121.223 -0.516 0.000 2.056 172 L HA -0.202 4.139 4.340 0.001 0.000 0.207 172 L C 2.459 179.192 176.870 -0.228 0.000 1.078 172 L CA 0.989 55.581 54.840 -0.413 0.000 0.749 172 L CB -0.547 41.214 42.059 -0.497 0.000 0.901 172 L HN 0.174 nan 8.230 nan 0.000 0.433 173 L N -0.551 120.543 121.223 -0.214 0.000 2.056 173 L HA -0.209 4.132 4.340 0.001 0.000 0.207 173 L C 2.829 179.633 176.870 -0.110 0.000 1.078 173 L CA 1.326 56.076 54.840 -0.150 0.000 0.749 173 L CB -0.161 41.826 42.059 -0.119 0.000 0.901 173 L HN 0.120 nan 8.230 nan 0.000 0.433 174 R N -0.260 120.140 120.500 -0.167 0.000 2.083 174 R HA -0.165 4.176 4.340 0.001 0.000 0.237 174 R C 2.329 178.661 176.300 0.053 0.000 1.137 174 R CA 1.478 57.546 56.100 -0.053 0.000 0.951 174 R CB -0.645 29.585 30.300 -0.117 0.000 0.851 174 R HN 0.521 nan 8.270 nan 0.000 0.434 175 A N 0.576 123.399 122.820 0.004 0.000 1.898 175 A HA -0.050 4.270 4.320 0.001 0.000 0.216 175 A C 2.396 180.017 177.584 0.063 0.000 1.181 175 A CA 1.643 53.700 52.037 0.033 0.000 0.620 175 A CB -1.103 17.897 19.000 0.001 0.000 0.819 175 A HN 0.472 nan 8.150 nan 0.000 0.442 176 G N -1.438 107.387 108.800 0.043 0.000 2.418 176 G HA2 -0.286 3.675 3.960 0.001 0.000 0.217 176 G HA3 -0.286 3.675 3.960 0.001 0.000 0.217 176 G C 1.550 176.534 174.900 0.141 0.000 1.158 176 G CA 1.319 46.469 45.100 0.084 0.000 0.771 176 G HN 0.606 nan 8.290 nan 0.000 0.545 177 Y N 1.303 121.628 120.300 0.041 0.000 2.097 177 Y HA -0.074 4.477 4.550 0.001 0.000 0.282 177 Y C 2.541 178.569 175.900 0.212 0.000 1.152 177 Y CA 1.537 59.712 58.100 0.124 0.000 1.136 177 Y CB -0.404 38.026 38.460 -0.049 0.000 0.975 177 Y HN 0.112 nan 8.280 nan 0.000 0.498 178 L N -0.730 120.481 121.223 -0.021 0.000 2.131 178 L HA -0.229 4.112 4.340 0.001 0.000 0.210 178 L C 2.319 179.175 176.870 -0.025 0.000 1.092 178 L CA 1.766 56.559 54.840 -0.079 0.000 0.759 178 L CB -0.901 41.194 42.059 0.060 0.000 0.903 178 L HN 0.249 nan 8.230 nan 0.000 0.435 179 T N 0.058 114.628 114.554 0.027 0.000 2.770 179 T HA -0.088 4.263 4.350 0.001 0.000 0.263 179 T C 1.959 176.632 174.700 -0.045 0.000 1.039 179 T CA 1.130 63.250 62.100 0.033 0.000 1.142 179 T CB -0.126 68.793 68.868 0.084 0.000 0.868 179 T HN 0.178 nan 8.240 nan 0.000 0.435 180 L N -0.894 120.279 121.223 -0.084 0.000 2.095 180 L HA 0.043 4.384 4.340 0.001 0.000 0.204 180 L C 1.870 178.638 176.870 -0.169 0.000 1.080 180 L CA 1.345 56.063 54.840 -0.204 0.000 0.759 180 L CB -0.347 41.427 42.059 -0.475 0.000 0.914 180 L HN 0.310 nan 8.230 nan 0.000 0.439 181 Y N -0.166 120.063 120.300 -0.118 0.000 2.457 181 Y HA 0.372 4.923 4.550 0.001 0.000 0.263 181 Y C 1.304 177.115 175.900 -0.149 0.000 1.164 181 Y CA 0.198 58.223 58.100 -0.125 0.000 1.274 181 Y CB 0.255 38.540 38.460 -0.293 0.000 1.097 181 Y HN 0.210 nan 8.280 nan 0.000 0.523 182 G N 1.322 110.112 108.800 -0.017 0.000 2.712 182 G HA2 -0.178 3.783 3.960 0.001 0.000 0.683 182 G HA3 -0.178 3.783 3.960 0.001 0.000 0.683 182 G C -0.672 174.237 174.900 0.015 0.000 1.320 182 G CA -0.473 44.640 45.100 0.022 0.000 0.847 182 G HN 0.362 nan 8.290 nan 0.000 0.553 183 I N -3.204 117.403 120.570 0.061 0.000 3.170 183 I HA 0.879 5.049 4.170 0.001 0.000 0.312 183 I C 1.218 177.370 176.117 0.059 0.000 1.085 183 I CA -0.605 60.735 61.300 0.067 0.000 0.999 183 I CB 1.907 39.946 38.000 0.064 0.000 1.233 183 I HN 0.684 nan 8.210 nan 0.000 0.467 184 E N 2.227 122.460 120.200 0.056 0.000 2.051 184 E HA 0.096 4.447 4.350 0.001 0.000 0.192 184 E C 0.244 176.856 176.600 0.020 0.000 0.991 184 E CA 1.712 58.130 56.400 0.030 0.000 0.799 184 E CB 0.096 29.811 29.700 0.026 0.000 0.748 184 E HN 0.823 nan 8.360 nan 0.000 0.449 185 A N -0.518 122.315 122.820 0.021 0.000 2.574 185 A HA 0.598 4.918 4.320 0.001 0.000 0.297 185 A C -1.698 175.894 177.584 0.013 0.000 1.062 185 A CA -0.681 51.364 52.037 0.014 0.000 0.686 185 A CB 1.345 20.344 19.000 -0.001 0.000 1.285 185 A HN 0.141 nan 8.150 nan 0.000 0.403 186 L N 3.272 124.503 121.223 0.014 0.000 2.439 186 L HA 0.489 4.830 4.340 0.001 0.000 0.270 186 L C -2.035 174.839 176.870 0.005 0.000 0.972 186 L CA -1.394 53.449 54.840 0.004 0.000 0.836 186 L CB 2.184 44.253 42.059 0.017 0.000 1.255 186 L HN 0.825 nan 8.230 nan 0.000 0.404 187 P HA 0.258 nan 4.420 nan 0.000 0.272 187 P C -0.706 176.589 177.300 -0.009 0.000 1.223 187 P CA -0.466 62.628 63.100 -0.010 0.000 0.784 187 P CB 0.774 32.471 31.700 -0.006 0.000 0.923 188 R N 0.501 120.995 120.500 -0.011 0.000 2.537 188 R HA 0.369 4.710 4.340 0.001 0.000 0.280 188 R C 0.825 177.127 176.300 0.004 0.000 1.058 188 R CA 0.175 56.274 56.100 -0.001 0.000 1.057 188 R CB 0.206 30.508 30.300 0.004 0.000 0.973 188 R HN 0.658 nan 8.270 nan 0.000 0.438 189 T N -1.949 112.602 114.554 -0.006 0.000 2.926 189 T HA 0.163 4.513 4.350 0.001 0.000 0.289 189 T C 1.052 175.749 174.700 -0.005 0.000 1.054 189 T CA -0.799 61.290 62.100 -0.018 0.000 1.015 189 T CB 1.257 70.072 68.868 -0.088 0.000 1.167 189 T HN 0.842 nan 8.240 nan 0.000 0.526 190 H N 0.156 119.237 119.070 0.017 0.000 2.387 190 H HA 0.009 4.565 4.556 0.001 0.000 0.299 190 H C 1.525 176.866 175.328 0.021 0.000 1.090 190 H CA 2.013 58.072 56.048 0.019 0.000 1.332 190 H CB -0.398 29.374 29.762 0.017 0.000 1.386 190 H HN 0.687 nan 8.280 nan 0.000 0.516 191 E N 0.727 120.638 120.200 -0.480 0.000 2.047 191 E HA -0.175 4.176 4.350 0.001 0.000 0.191 191 E C 2.616 179.165 176.600 -0.086 0.000 0.987 191 E CA 1.773 58.014 56.400 -0.264 0.000 0.799 191 E CB -0.166 29.345 29.700 -0.314 0.000 0.752 191 E HN 0.673 nan 8.360 nan 0.000 0.449 192 S N 0.526 116.181 115.700 -0.075 0.000 2.368 192 S HA -0.207 4.264 4.470 0.001 0.000 0.224 192 S C 1.992 176.603 174.600 0.018 0.000 1.029 192 S CA 0.900 59.088 58.200 -0.019 0.000 0.988 192 S CB -0.261 62.929 63.200 -0.017 0.000 0.838 192 S HN 0.179 nan 8.310 nan 0.000 0.462 193 Q N 1.052 120.868 119.800 0.027 0.000 2.124 193 Q HA 0.017 4.357 4.340 0.001 0.000 0.202 193 Q C 2.651 178.688 176.000 0.061 0.000 0.977 193 Q CA 1.393 57.227 55.803 0.050 0.000 0.850 193 Q CB -0.546 28.226 28.738 0.057 0.000 0.901 193 Q HN 0.787 nan 8.270 nan 0.000 0.429 194 A N 0.851 123.708 122.820 0.063 0.000 1.933 194 A HA -0.255 4.065 4.320 0.001 0.000 0.218 194 A C 2.045 179.668 177.584 0.065 0.000 1.175 194 A CA 1.685 53.763 52.037 0.068 0.000 0.628 194 A CB -0.458 18.590 19.000 0.080 0.000 0.814 194 A HN 0.228 nan 8.150 nan 0.000 0.444 195 Q N 0.368 120.202 119.800 0.057 0.000 2.079 195 Q HA -0.162 4.179 4.340 0.001 0.000 0.200 195 Q C 1.399 177.471 176.000 0.120 0.000 0.974 195 Q CA 2.025 57.870 55.803 0.070 0.000 0.840 195 Q CB -0.445 28.316 28.738 0.040 0.000 0.898 195 Q HN 0.607 nan 8.270 nan 0.000 0.430 196 D N -0.287 120.182 120.400 0.116 0.000 2.133 196 D HA -0.181 4.459 4.640 0.001 0.000 0.195 196 D C 1.910 178.300 176.300 0.149 0.000 0.997 196 D CA 1.240 55.334 54.000 0.157 0.000 0.840 196 D CB -0.090 40.779 40.800 0.115 0.000 0.947 196 D HN 0.297 nan 8.370 nan 0.000 0.452 197 R N 0.128 120.690 120.500 0.104 0.000 2.066 197 R HA -0.053 4.288 4.340 0.001 0.000 0.232 197 R C 2.485 178.825 176.300 0.068 0.000 1.131 197 R CA 0.656 56.804 56.100 0.080 0.000 0.955 197 R CB -0.334 30.008 30.300 0.069 0.000 0.851 197 R HN 0.068 nan 8.270 nan 0.000 0.432 198 V N 0.148 120.109 119.914 0.079 0.000 2.295 198 V HA -0.264 3.857 4.120 0.001 0.000 0.246 198 V C 2.211 178.356 176.094 0.084 0.000 1.049 198 V CA 2.240 64.580 62.300 0.066 0.000 1.024 198 V CB -0.652 31.209 31.823 0.064 0.000 0.648 198 V HN 0.397 nan 8.190 nan 0.000 0.447 199 H N 1.330 120.423 119.070 0.040 0.000 2.321 199 H HA -0.145 4.411 4.556 0.001 0.000 0.300 199 H C 2.462 177.805 175.328 0.025 0.000 1.087 199 H CA 2.104 58.178 56.048 0.044 0.000 1.319 199 H CB -0.322 29.493 29.762 0.087 0.000 1.379 199 H HN 0.506 nan 8.280 nan 0.000 0.501 200 S N 0.015 115.654 115.700 -0.101 0.000 2.382 200 S HA -0.130 4.341 4.470 0.001 0.000 0.228 200 S C 2.456 176.966 174.600 -0.150 0.000 1.027 200 S CA 1.008 59.106 58.200 -0.168 0.000 0.991 200 S CB -0.878 62.357 63.200 0.058 0.000 0.823 200 S HN 0.588 nan 8.310 nan 0.000 0.469 201 A N 2.012 124.792 122.820 -0.066 0.000 1.902 201 A HA -0.130 4.191 4.320 0.001 0.000 0.217 201 A C 1.995 179.581 177.584 0.003 0.000 1.181 201 A CA 1.903 53.930 52.037 -0.018 0.000 0.623 201 A CB -1.227 17.762 19.000 -0.018 0.000 0.818 201 A HN 0.592 nan 8.150 nan 0.000 0.443 202 D N -0.407 119.956 120.400 -0.062 0.000 2.097 202 D HA -0.124 4.516 4.640 0.001 0.000 0.195 202 D C 1.867 178.102 176.300 -0.108 0.000 0.989 202 D CA 1.579 55.541 54.000 -0.064 0.000 0.827 202 D CB -0.188 40.586 40.800 -0.044 0.000 0.966 202 D HN 0.137 nan 8.370 nan 0.000 0.456 203 V N 0.328 120.072 119.914 -0.284 0.000 2.287 203 V HA -0.227 3.893 4.120 0.001 0.000 0.248 203 V C 2.274 178.257 176.094 -0.184 0.000 1.053 203 V CA 1.858 63.939 62.300 -0.365 0.000 1.027 203 V CB -0.783 30.541 31.823 -0.833 0.000 0.646 203 V HN 0.249 nan 8.190 nan 0.000 0.447 204 F N 0.840 120.632 119.950 -0.264 0.000 2.102 204 F HA -0.208 4.319 4.527 0.001 0.000 0.298 204 F C 2.446 178.186 175.800 -0.101 0.000 1.105 204 F CA 2.300 60.178 58.000 -0.203 0.000 1.239 204 F CB -0.633 38.217 39.000 -0.249 0.000 0.991 204 F HN 0.319 nan 8.300 nan 0.000 0.474 205 H N -0.496 118.403 119.070 -0.285 0.000 2.352 205 H HA -0.129 4.427 4.556 0.001 0.000 0.299 205 H C 2.061 177.192 175.328 -0.329 0.000 1.097 205 H CA 2.594 58.442 56.048 -0.334 0.000 1.311 205 H CB -0.466 29.214 29.762 -0.137 0.000 1.377 205 H HN 0.280 nan 8.280 nan 0.000 0.504 206 T N 0.013 114.463 114.554 -0.172 0.000 2.770 206 T HA -0.139 4.211 4.350 0.001 0.000 0.263 206 T C 1.722 176.260 174.700 -0.270 0.000 1.039 206 T CA 1.161 63.144 62.100 -0.195 0.000 1.142 206 T CB -0.661 68.146 68.868 -0.102 0.000 0.868 206 T HN 0.350 nan 8.240 nan 0.000 0.435 207 F N 2.458 122.183 119.950 -0.375 0.000 2.091 207 F HA -0.171 4.357 4.527 0.001 0.000 0.299 207 F C 2.522 178.061 175.800 -0.434 0.000 1.103 207 F CA 1.453 59.252 58.000 -0.336 0.000 1.228 207 F CB -0.116 38.714 39.000 -0.284 0.000 0.984 207 F HN -0.104 nan 8.300 nan 0.000 0.477 208 R N 0.703 120.865 120.500 -0.564 0.000 2.120 208 R HA -0.154 4.187 4.340 0.001 0.000 0.234 208 R C 2.176 178.144 176.300 -0.553 0.000 1.123 208 R CA 1.866 57.557 56.100 -0.682 0.000 0.975 208 R CB -0.608 29.108 30.300 -0.974 0.000 0.866 208 R HN 0.493 nan 8.270 nan 0.000 0.446 209 Q N -0.256 119.224 119.800 -0.533 0.000 2.084 209 Q HA -0.153 4.188 4.340 0.001 0.000 0.202 209 Q C 2.167 177.853 176.000 -0.524 0.000 0.978 209 Q CA 1.678 57.199 55.803 -0.471 0.000 0.844 209 Q CB -0.268 28.220 28.738 -0.416 0.000 0.898 209 Q HN 0.380 nan 8.270 nan 0.000 0.426 210 L N 0.780 121.670 121.223 -0.553 0.000 2.017 210 L HA -0.230 4.111 4.340 0.001 0.000 0.208 210 L C 1.995 178.534 176.870 -0.551 0.000 1.073 210 L CA 1.789 56.290 54.840 -0.566 0.000 0.745 210 L CB -0.209 41.520 42.059 -0.549 0.000 0.894 210 L HN 0.182 nan 8.230 nan 0.000 0.432 211 D N -0.264 119.784 120.400 -0.587 0.000 2.123 211 D HA -0.220 4.421 4.640 0.001 0.000 0.196 211 D C 2.285 178.433 176.300 -0.254 0.000 0.992 211 D CA 1.401 55.196 54.000 -0.342 0.000 0.833 211 D CB 0.044 40.679 40.800 -0.276 0.000 0.954 211 D HN 0.239 nan 8.370 nan 0.000 0.455 212 R N -0.791 119.538 120.500 -0.285 0.000 2.120 212 R HA -0.062 4.279 4.340 0.001 0.000 0.234 212 R C 1.590 177.747 176.300 -0.238 0.000 1.123 212 R CA 0.569 56.536 56.100 -0.221 0.000 0.975 212 R CB -0.084 30.089 30.300 -0.212 0.000 0.866 212 R HN 0.230 nan 8.270 nan 0.000 0.446 213 L N 0.366 121.402 121.223 -0.312 0.000 2.509 213 L HA 0.032 4.373 4.340 0.001 0.000 0.222 213 L C 1.897 178.572 176.870 -0.324 0.000 1.123 213 L CA 0.839 55.497 54.840 -0.303 0.000 0.856 213 L CB -0.560 41.278 42.059 -0.368 0.000 0.985 213 L HN 0.169 nan 8.230 nan 0.000 0.456 214 L N 0.488 121.471 121.223 -0.400 0.000 2.017 214 L HA -0.112 4.228 4.340 0.001 0.000 0.208 214 L C -0.390 176.223 176.870 -0.427 0.000 1.073 214 L CA 1.572 56.109 54.840 -0.505 0.000 0.745 214 L CB -1.027 40.619 42.059 -0.688 0.000 0.894 214 L HN 0.174 nan 8.230 nan 0.000 0.432 215 P HA -0.178 nan 4.420 nan 0.000 0.215 215 P C 1.179 178.473 177.300 -0.011 0.000 1.153 215 P CA 1.395 64.359 63.100 -0.227 0.000 0.853 215 P CB 0.077 31.692 31.700 -0.142 0.000 0.788 216 K N -0.932 119.427 120.400 -0.069 0.000 2.148 216 K HA -0.067 4.254 4.320 0.001 0.000 0.204 216 K C 1.867 178.448 176.600 -0.033 0.000 1.050 216 K CA 0.728 56.996 56.287 -0.030 0.000 0.942 216 K CB -1.264 31.203 32.500 -0.054 0.000 0.724 216 K HN 0.020 nan 8.250 nan 0.000 0.446 217 L N 0.322 121.484 121.223 -0.100 0.000 2.017 217 L HA -0.088 4.253 4.340 0.001 0.000 0.208 217 L C 1.948 178.809 176.870 -0.014 0.000 1.073 217 L CA 2.055 56.830 54.840 -0.108 0.000 0.745 217 L CB -0.843 41.078 42.059 -0.230 0.000 0.894 217 L HN 0.162 nan 8.230 nan 0.000 0.432 218 A N -0.682 122.172 122.820 0.056 0.000 1.933 218 A HA -0.181 4.139 4.320 0.001 0.000 0.218 218 A C 2.410 180.176 177.584 0.303 0.000 1.175 218 A CA 1.666 53.872 52.037 0.282 0.000 0.628 218 A CB -0.507 18.805 19.000 0.519 0.000 0.814 218 A HN 0.507 nan 8.150 nan 0.000 0.444 219 R N -1.698 118.927 120.500 0.208 0.000 2.297 219 R HA 0.167 4.508 4.340 0.001 0.000 0.197 219 R C 1.081 177.453 176.300 0.121 0.000 0.943 219 R CA 0.554 56.755 56.100 0.168 0.000 1.038 219 R CB -0.015 30.375 30.300 0.150 0.000 0.957 219 R HN 0.694 nan 8.270 nan 0.000 0.484 220 G N 1.277 110.133 108.800 0.092 0.000 2.182 220 G HA2 -0.271 3.690 3.960 0.001 0.000 0.248 220 G HA3 -0.271 3.690 3.960 0.001 0.000 0.248 220 G C 0.458 175.382 174.900 0.039 0.000 1.042 220 G CA 0.594 45.730 45.100 0.060 0.000 0.775 220 G HN 0.438 nan 8.290 nan 0.000 0.501 221 S N -1.165 114.553 115.700 0.030 0.000 2.593 221 S HA 0.533 5.003 4.470 0.001 0.000 0.236 221 S C 0.828 175.427 174.600 -0.001 0.000 0.991 221 S CA -0.427 57.785 58.200 0.021 0.000 0.963 221 S CB 0.429 63.648 63.200 0.032 0.000 0.865 221 S HN 0.482 nan 8.310 nan 0.000 0.488 222 L N 3.532 124.745 121.223 -0.017 0.000 2.416 222 L HA 0.293 4.634 4.340 0.001 0.000 0.272 222 L C 1.029 177.884 176.870 -0.025 0.000 1.161 222 L CA -0.482 54.338 54.840 -0.034 0.000 0.845 222 L CB 0.818 42.841 42.059 -0.060 0.000 1.119 222 L HN 0.427 nan 8.230 nan 0.000 0.464 223 S N 1.981 117.667 115.700 -0.023 0.000 2.580 223 S HA 0.068 4.539 4.470 0.001 0.000 0.266 223 S C 1.216 175.802 174.600 -0.025 0.000 1.354 223 S CA -0.885 57.303 58.200 -0.020 0.000 1.008 223 S CB 1.206 64.395 63.200 -0.018 0.000 0.898 223 S HN 0.353 nan 8.310 nan 0.000 0.555 224 V N 2.692 122.593 119.914 -0.022 0.000 2.332 224 V HA -0.093 4.028 4.120 0.001 0.000 0.248 224 V C 2.794 178.873 176.094 -0.025 0.000 1.055 224 V CA 2.310 64.595 62.300 -0.025 0.000 1.038 224 V CB -1.923 29.887 31.823 -0.022 0.000 0.651 224 V HN 1.064 nan 8.190 nan 0.000 0.450 225 G N -0.330 108.456 108.800 -0.023 0.000 2.440 225 G HA2 -0.260 3.701 3.960 0.001 0.000 0.218 225 G HA3 -0.260 3.701 3.960 0.001 0.000 0.218 225 G C 1.253 176.149 174.900 -0.006 0.000 1.154 225 G CA 1.075 46.162 45.100 -0.022 0.000 0.767 225 G HN 0.501 nan 8.290 nan 0.000 0.552 226 D N 0.309 120.705 120.400 -0.007 0.000 2.183 226 D HA -0.004 4.637 4.640 0.001 0.000 0.203 226 D C 2.454 178.730 176.300 -0.040 0.000 0.969 226 D CA 0.606 54.608 54.000 0.002 0.000 0.842 226 D CB -0.086 40.699 40.800 -0.025 0.000 0.957 226 D HN 0.286 nan 8.370 nan 0.000 0.484 227 K N 0.417 120.785 120.400 -0.053 0.000 2.026 227 K HA -0.145 4.175 4.320 0.001 0.000 0.208 227 K C 1.552 178.109 176.600 -0.072 0.000 1.048 227 K CA 1.234 57.475 56.287 -0.077 0.000 0.929 227 K CB -0.012 32.451 32.500 -0.061 0.000 0.713 227 K HN 0.023 nan 8.250 nan 0.000 0.439 228 D N -0.486 119.891 120.400 -0.039 0.000 2.144 228 D HA -0.162 4.478 4.640 0.001 0.000 0.199 228 D C 1.826 178.122 176.300 -0.008 0.000 0.984 228 D CA 1.088 55.068 54.000 -0.032 0.000 0.834 228 D CB -0.113 40.672 40.800 -0.026 0.000 0.955 228 D HN 0.218 nan 8.370 nan 0.000 0.465 229 H N 0.137 119.134 119.070 -0.121 0.000 2.321 229 H HA -0.094 4.462 4.556 0.001 0.000 0.300 229 H C 1.893 177.110 175.328 -0.185 0.000 1.087 229 H CA 1.610 57.573 56.048 -0.141 0.000 1.319 229 H CB -0.501 29.181 29.762 -0.133 0.000 1.379 229 H HN 0.072 nan 8.280 nan 0.000 0.501 230 M N -0.258 119.192 119.600 -0.250 0.000 2.108 230 M HA -0.145 4.335 4.480 0.001 0.000 0.261 230 M C 2.665 178.770 176.300 -0.325 0.000 1.066 230 M CA 1.793 56.872 55.300 -0.369 0.000 1.107 230 M CB -1.299 31.103 32.600 -0.329 0.000 1.356 230 M HN 0.419 nan 8.290 nan 0.000 0.406 231 C N -0.442 118.720 119.300 -0.229 0.000 2.429 231 C HA -0.094 4.366 4.460 0.001 0.000 0.277 231 C C 2.772 177.611 174.990 -0.253 0.000 1.262 231 C CA 1.608 60.487 59.018 -0.232 0.000 1.733 231 C CB -1.316 26.346 27.740 -0.130 0.000 2.010 231 C HN 0.703 nan 8.230 nan 0.000 0.483 232 S N -0.202 115.401 115.700 -0.162 0.000 2.368 232 S HA -0.177 4.294 4.470 0.001 0.000 0.225 232 S C 1.811 176.295 174.600 -0.193 0.000 1.030 232 S CA 1.491 59.613 58.200 -0.129 0.000 0.999 232 S CB -0.591 62.587 63.200 -0.037 0.000 0.844 232 S HN 0.614 nan 8.310 nan 0.000 0.459 233 V N 1.656 121.429 119.914 -0.235 0.000 2.358 233 V HA -0.158 3.963 4.120 0.001 0.000 0.246 233 V C 2.056 177.905 176.094 -0.408 0.000 1.047 233 V CA 1.752 63.880 62.300 -0.288 0.000 1.035 233 V CB -0.420 31.194 31.823 -0.348 0.000 0.658 233 V HN 0.379 nan 8.190 nan 0.000 0.452 234 K N -0.098 119.960 120.400 -0.572 0.000 2.009 234 K HA -0.152 4.169 4.320 0.001 0.000 0.210 234 K C 2.362 178.193 176.600 -1.282 0.000 1.049 234 K CA 1.900 57.602 56.287 -0.975 0.000 0.929 234 K CB -0.418 31.394 32.500 -1.146 0.000 0.714 234 K HN 0.471 nan 8.250 nan 0.000 0.440 235 S N 0.635 115.806 115.700 -0.882 0.000 2.370 235 S HA -0.193 4.277 4.470 0.001 0.000 0.226 235 S C 1.924 176.419 174.600 -0.175 0.000 1.033 235 S CA 1.389 59.342 58.200 -0.412 0.000 1.011 235 S CB -0.214 62.885 63.200 -0.169 0.000 0.852 235 S HN 0.292 nan 8.310 nan 0.000 0.457 236 R N 0.770 121.154 120.500 -0.193 0.000 2.081 236 R HA 0.018 4.359 4.340 0.001 0.000 0.235 236 R C 2.167 178.433 176.300 -0.057 0.000 1.131 236 R CA 1.107 57.155 56.100 -0.087 0.000 0.960 236 R CB -0.337 29.912 30.300 -0.084 0.000 0.856 236 R HN 0.345 nan 8.270 nan 0.000 0.436 237 L N -0.670 120.470 121.223 -0.139 0.000 2.083 237 L HA -0.194 4.146 4.340 0.001 0.000 0.209 237 L C 2.212 179.161 176.870 0.133 0.000 1.083 237 L CA 0.858 55.673 54.840 -0.042 0.000 0.752 237 L CB -0.481 41.535 42.059 -0.073 0.000 0.899 237 L HN 0.350 nan 8.230 nan 0.000 0.433 238 W N 0.511 121.840 121.300 0.048 0.000 2.374 238 W HA -0.143 4.517 4.660 0.001 0.000 0.288 238 W C 2.512 179.065 176.519 0.056 0.000 1.218 238 W CA 0.603 57.984 57.345 0.060 0.000 1.245 238 W CB -0.698 28.790 29.460 0.046 0.000 1.126 238 W HN 0.084 nan 8.180 nan 0.000 0.545 239 K N -0.371 120.180 120.400 0.251 0.000 2.062 239 K HA -0.081 4.239 4.320 0.001 0.000 0.205 239 K C 1.950 178.637 176.600 0.144 0.000 1.051 239 K CA 0.628 57.014 56.287 0.164 0.000 0.941 239 K CB -0.950 31.618 32.500 0.114 0.000 0.719 239 K HN 0.087 nan 8.250 nan 0.000 0.440 240 L N 0.366 121.669 121.223 0.134 0.000 2.083 240 L HA -0.115 4.225 4.340 0.001 0.000 0.209 240 L C 1.527 178.510 176.870 0.188 0.000 1.083 240 L CA 1.405 56.334 54.840 0.148 0.000 0.752 240 L CB -0.553 41.565 42.059 0.099 0.000 0.899 240 L HN 0.031 nan 8.230 nan 0.000 0.433 241 L N -1.007 120.330 121.223 0.190 0.000 2.928 241 L HA 0.200 4.540 4.340 0.001 0.000 0.246 241 L C 0.896 177.900 176.870 0.224 0.000 1.239 241 L CA -0.081 54.892 54.840 0.222 0.000 1.035 241 L CB -0.585 41.593 42.059 0.200 0.000 1.360 241 L HN 0.110 nan 8.230 nan 0.000 0.529 242 S N -1.713 114.096 115.700 0.182 0.000 2.562 242 S HA 0.226 4.697 4.470 0.001 0.000 0.281 242 S C -1.559 173.117 174.600 0.126 0.000 1.333 242 S CA -0.876 57.407 58.200 0.139 0.000 1.052 242 S CB 0.705 63.971 63.200 0.110 0.000 0.884 242 S HN 0.029 nan 8.310 nan 0.000 0.506 243 P HA -0.157 nan 4.420 nan 0.000 0.217 243 P C 1.619 178.957 177.300 0.063 0.000 1.151 243 P CA 2.045 65.189 63.100 0.073 0.000 0.849 243 P CB -0.213 31.504 31.700 0.029 0.000 0.787 244 A N -0.610 122.242 122.820 0.053 0.000 1.883 244 A HA -0.243 4.078 4.320 0.001 0.000 0.217 244 A C 2.394 180.009 177.584 0.052 0.000 1.186 244 A CA 2.045 54.107 52.037 0.043 0.000 0.624 244 A CB -1.132 17.889 19.000 0.036 0.000 0.822 244 A HN 0.007 nan 8.150 nan 0.000 0.444 245 R N -0.371 120.172 120.500 0.070 0.000 2.075 245 R HA 0.059 4.400 4.340 0.001 0.000 0.232 245 R C 1.930 178.282 176.300 0.086 0.000 1.126 245 R CA 1.281 57.424 56.100 0.073 0.000 0.963 245 R CB -0.517 29.841 30.300 0.096 0.000 0.858 245 R HN 0.552 nan 8.270 nan 0.000 0.435 246 L N -0.516 120.780 121.223 0.121 0.000 2.217 246 L HA 0.023 4.364 4.340 0.001 0.000 0.211 246 L C 2.301 179.225 176.870 0.090 0.000 1.107 246 L CA 0.868 55.792 54.840 0.141 0.000 0.783 246 L CB -0.496 41.684 42.059 0.201 0.000 0.919 246 L HN 0.256 nan 8.230 nan 0.000 0.442 247 A N 0.865 123.724 122.820 0.064 0.000 2.024 247 A HA -0.189 4.131 4.320 0.001 0.000 0.220 247 A C 2.261 179.864 177.584 0.033 0.000 1.164 247 A CA 1.334 53.395 52.037 0.040 0.000 0.643 247 A CB -0.410 18.607 19.000 0.028 0.000 0.806 247 A HN 0.446 nan 8.150 nan 0.000 0.451 248 R N -0.468 120.052 120.500 0.033 0.000 2.299 248 R HA 0.113 4.454 4.340 0.001 0.000 0.197 248 R C 0.232 176.548 176.300 0.027 0.000 0.971 248 R CA -0.020 56.094 56.100 0.023 0.000 1.030 248 R CB 0.015 30.323 30.300 0.014 0.000 0.932 248 R HN 0.392 nan 8.270 nan 0.000 0.477 249 R N 1.110 121.633 120.500 0.040 0.000 2.490 249 R HA 0.427 4.767 4.340 0.001 0.000 0.278 249 R C -0.291 176.037 176.300 0.047 0.000 1.069 249 R CA -0.291 55.836 56.100 0.045 0.000 1.080 249 R CB 1.054 31.392 30.300 0.063 0.000 1.030 249 R HN 0.042 nan 8.270 nan 0.000 0.491 250 A N 0.739 123.594 122.820 0.057 0.000 2.295 250 A HA 0.281 4.601 4.320 0.001 0.000 0.318 250 A C -0.253 177.411 177.584 0.133 0.000 1.134 250 A CA -0.405 51.679 52.037 0.078 0.000 0.827 250 A CB 0.287 19.329 19.000 0.070 0.000 1.136 250 A HN 0.999 nan 8.150 nan 0.000 0.493 251 H N -0.643 118.431 119.070 0.007 0.000 2.692 251 H HA -0.152 4.404 4.556 0.001 0.000 0.316 251 H C -0.013 175.314 175.328 -0.001 0.000 1.176 251 H CA 1.081 57.131 56.048 0.003 0.000 1.142 251 H CB -1.347 28.418 29.762 0.004 0.000 1.475 251 H HN 0.741 nan 8.280 nan 0.000 0.423 252 R N 0.499 120.964 120.500 -0.058 0.000 2.643 252 R HA 0.285 4.625 4.340 0.001 0.000 0.270 252 R C 0.689 176.902 176.300 -0.145 0.000 1.061 252 R CA 0.208 56.269 56.100 -0.066 0.000 1.107 252 R CB 0.659 30.945 30.300 -0.024 0.000 0.999 252 R HN 0.500 nan 8.270 nan 0.000 0.460 253 S N 1.172 116.812 115.700 -0.099 0.000 2.572 253 S HA 0.014 4.485 4.470 0.001 0.000 0.279 253 S C 1.048 175.624 174.600 -0.040 0.000 1.341 253 S CA -0.695 57.451 58.200 -0.090 0.000 1.043 253 S CB 1.370 64.546 63.200 -0.039 0.000 0.887 253 S HN 0.695 nan 8.310 nan 0.000 0.516 254 K N 1.639 122.012 120.400 -0.045 0.000 2.103 254 K HA -0.153 4.168 4.320 0.001 0.000 0.207 254 K C 1.693 178.309 176.600 0.026 0.000 1.048 254 K CA 1.881 58.157 56.287 -0.018 0.000 0.930 254 K CB -0.750 31.739 32.500 -0.018 0.000 0.716 254 K HN 0.865 nan 8.250 nan 0.000 0.444 255 W N 0.559 121.774 121.300 -0.142 0.000 2.302 255 W HA -0.288 4.372 4.660 0.001 0.000 0.320 255 W C 1.696 178.152 176.519 -0.105 0.000 1.241 255 W CA 2.079 59.341 57.345 -0.139 0.000 1.264 255 W CB -0.594 28.742 29.460 -0.206 0.000 1.154 255 W HN 0.248 nan 8.180 nan 0.000 0.483 256 L N 1.271 122.488 121.223 -0.009 0.000 2.027 256 L HA -0.140 4.201 4.340 0.001 0.000 0.206 256 L C 2.424 179.193 176.870 -0.169 0.000 1.074 256 L CA 2.295 56.993 54.840 -0.237 0.000 0.745 256 L CB -1.242 40.778 42.059 -0.065 0.000 0.898 256 L HN 0.028 nan 8.230 nan 0.000 0.433 257 E N -0.596 119.551 120.200 -0.089 0.000 2.070 257 E HA -0.267 4.083 4.350 0.001 0.000 0.197 257 E C 2.261 178.812 176.600 -0.081 0.000 1.004 257 E CA 1.665 58.023 56.400 -0.070 0.000 0.805 257 E CB -0.508 29.161 29.700 -0.051 0.000 0.744 257 E HN 0.586 nan 8.360 nan 0.000 0.451 258 S N -0.060 115.588 115.700 -0.088 0.000 2.368 258 S HA -0.184 4.286 4.470 0.001 0.000 0.225 258 S C 1.971 176.528 174.600 -0.072 0.000 1.030 258 S CA 0.942 59.097 58.200 -0.075 0.000 0.999 258 S CB -0.315 62.844 63.200 -0.069 0.000 0.844 258 S HN 0.326 nan 8.310 nan 0.000 0.459 259 Y N 1.931 122.035 120.300 -0.326 0.000 2.181 259 Y HA 0.024 4.575 4.550 0.001 0.000 0.288 259 Y C 1.902 177.688 175.900 -0.189 0.000 1.146 259 Y CA 1.399 59.300 58.100 -0.332 0.000 1.164 259 Y CB -0.536 37.529 38.460 -0.658 0.000 0.982 259 Y HN 0.252 nan 8.280 nan 0.000 0.515 260 L N -1.173 119.928 121.223 -0.204 0.000 2.017 260 L HA -0.263 4.077 4.340 0.001 0.000 0.208 260 L C 2.312 179.071 176.870 -0.186 0.000 1.073 260 L CA 0.693 55.405 54.840 -0.213 0.000 0.745 260 L CB -0.746 41.246 42.059 -0.112 0.000 0.894 260 L HN 0.225 nan 8.230 nan 0.000 0.432 261 L N -0.391 120.761 121.223 -0.119 0.000 2.012 261 L HA -0.276 4.064 4.340 0.001 0.000 0.210 261 L C 2.626 179.442 176.870 -0.089 0.000 1.073 261 L CA 2.024 56.813 54.840 -0.085 0.000 0.748 261 L CB -1.554 40.477 42.059 -0.047 0.000 0.891 261 L HN 0.370 nan 8.230 nan 0.000 0.431 262 H N -0.408 118.546 119.070 -0.194 0.000 2.352 262 H HA -0.146 4.411 4.556 0.001 0.000 0.299 262 H C 2.173 177.344 175.328 -0.261 0.000 1.097 262 H CA 1.734 57.658 56.048 -0.207 0.000 1.311 262 H CB -0.114 29.523 29.762 -0.210 0.000 1.377 262 H HN 0.255 nan 8.280 nan 0.000 0.504 263 L N -0.090 120.810 121.223 -0.539 0.000 2.056 263 L HA -0.110 4.231 4.340 0.001 0.000 0.207 263 L C 2.487 179.156 176.870 -0.335 0.000 1.078 263 L CA 1.634 56.149 54.840 -0.540 0.000 0.749 263 L CB -0.429 41.314 42.059 -0.526 0.000 0.901 263 L HN 0.379 nan 8.230 nan 0.000 0.433 264 E N 0.226 120.281 120.200 -0.242 0.000 2.085 264 E HA -0.243 4.107 4.350 0.001 0.000 0.194 264 E C 2.080 178.597 176.600 -0.138 0.000 0.994 264 E CA 1.278 57.584 56.400 -0.158 0.000 0.801 264 E CB -0.039 29.591 29.700 -0.116 0.000 0.743 264 E HN 0.490 nan 8.360 nan 0.000 0.453 265 E N 0.137 120.250 120.200 -0.146 0.000 2.153 265 E HA -0.136 4.214 4.350 0.001 0.000 0.194 265 E C 1.853 178.385 176.600 -0.113 0.000 0.988 265 E CA 0.876 57.215 56.400 -0.103 0.000 0.811 265 E CB -0.010 29.651 29.700 -0.066 0.000 0.746 265 E HN 0.299 nan 8.360 nan 0.000 0.466 266 M N -0.791 118.695 119.600 -0.190 0.000 2.619 266 M HA 0.060 4.541 4.480 0.001 0.000 0.251 266 M C 1.038 177.272 176.300 -0.111 0.000 1.106 266 M CA 0.746 55.952 55.300 -0.157 0.000 1.086 266 M CB 0.502 32.950 32.600 -0.254 0.000 1.465 266 M HN 0.272 nan 8.290 nan 0.000 0.506 267 G N 1.264 109.995 108.800 -0.115 0.000 2.160 267 G HA2 -0.192 3.769 3.960 0.001 0.000 0.244 267 G HA3 -0.192 3.769 3.960 0.001 0.000 0.244 267 G C -0.065 174.777 174.900 -0.096 0.000 1.022 267 G CA -0.257 44.791 45.100 -0.087 0.000 0.741 267 G HN 0.312 nan 8.290 nan 0.000 0.508 268 V N 1.685 121.519 119.914 -0.133 0.000 2.572 268 V HA 0.456 4.577 4.120 0.001 0.000 0.291 268 V C 1.463 177.489 176.094 -0.113 0.000 1.039 268 V CA 0.200 62.419 62.300 -0.134 0.000 1.055 268 V CB 1.182 32.894 31.823 -0.185 0.000 0.969 268 V HN 1.066 nan 8.190 nan 0.000 0.482 269 S N 3.495 119.138 115.700 -0.096 0.000 2.573 269 S HA 0.109 4.580 4.470 0.001 0.000 0.277 269 S C 0.918 175.466 174.600 -0.086 0.000 1.346 269 S CA -0.274 57.877 58.200 -0.082 0.000 1.034 269 S CB 0.629 63.784 63.200 -0.075 0.000 0.879 269 S HN 0.755 nan 8.310 nan 0.000 0.528 270 E N 0.839 121.000 120.200 -0.065 0.000 2.153 270 E HA -0.216 4.134 4.350 0.001 0.000 0.194 270 E C 1.891 178.457 176.600 -0.058 0.000 0.988 270 E CA 1.417 57.785 56.400 -0.053 0.000 0.811 270 E CB -0.117 29.565 29.700 -0.029 0.000 0.746 270 E HN 0.922 nan 8.360 nan 0.000 0.466 271 E N 0.464 120.621 120.200 -0.072 0.000 2.051 271 E HA -0.227 4.124 4.350 0.001 0.000 0.192 271 E C 2.042 178.531 176.600 -0.185 0.000 0.991 271 E CA 1.104 57.440 56.400 -0.107 0.000 0.799 271 E CB 0.024 29.662 29.700 -0.103 0.000 0.748 271 E HN 0.054 nan 8.360 nan 0.000 0.449 272 M N 0.818 120.316 119.600 -0.171 0.000 2.175 272 M HA -0.137 4.344 4.480 0.001 0.000 0.264 272 M C 1.875 178.081 176.300 -0.157 0.000 1.063 272 M CA 1.608 56.792 55.300 -0.194 0.000 1.119 272 M CB -0.014 32.495 32.600 -0.151 0.000 1.377 272 M HN 0.084 nan 8.290 nan 0.000 0.415 273 Q N -0.624 119.102 119.800 -0.123 0.000 2.096 273 Q HA -0.166 4.175 4.340 0.001 0.000 0.204 273 Q C 2.117 178.107 176.000 -0.017 0.000 0.982 273 Q CA 1.816 57.564 55.803 -0.092 0.000 0.850 273 Q CB -0.482 28.200 28.738 -0.093 0.000 0.901 273 Q HN 0.682 nan 8.270 nan 0.000 0.422 274 A N 1.403 124.211 122.820 -0.020 0.000 1.908 274 A HA -0.239 4.082 4.320 0.001 0.000 0.218 274 A C 2.011 179.625 177.584 0.050 0.000 1.181 274 A CA 1.532 53.603 52.037 0.058 0.000 0.627 274 A CB -0.457 18.580 19.000 0.061 0.000 0.818 274 A HN 0.244 nan 8.150 nan 0.000 0.445 275 R N -0.686 119.684 120.500 -0.217 0.000 2.075 275 R HA -0.044 4.296 4.340 0.001 0.000 0.232 275 R C 2.491 178.841 176.300 0.084 0.000 1.126 275 R CA 1.134 57.071 56.100 -0.271 0.000 0.963 275 R CB -0.479 29.467 30.300 -0.590 0.000 0.858 275 R HN 0.516 nan 8.270 nan 0.000 0.435 276 A N 1.354 124.213 122.820 0.065 0.000 1.902 276 A HA -0.117 4.204 4.320 0.001 0.000 0.217 276 A C 2.179 179.946 177.584 0.305 0.000 1.181 276 A CA 1.137 53.280 52.037 0.177 0.000 0.623 276 A CB -0.475 18.606 19.000 0.135 0.000 0.818 276 A HN 0.165 nan 8.150 nan 0.000 0.443 277 L N -0.665 120.752 121.223 0.325 0.000 2.141 277 L HA -0.130 4.211 4.340 0.001 0.000 0.209 277 L C 2.421 179.559 176.870 0.446 0.000 1.094 277 L CA 0.772 55.881 54.840 0.448 0.000 0.763 277 L CB -0.394 41.937 42.059 0.453 0.000 0.908 277 L HN 0.237 nan 8.230 nan 0.000 0.437 278 V N -0.201 119.945 119.914 0.386 0.000 2.453 278 V HA -0.243 3.877 4.120 0.001 0.000 0.247 278 V C 2.349 178.617 176.094 0.290 0.000 1.048 278 V CA 1.367 63.907 62.300 0.401 0.000 1.049 278 V CB -0.299 31.851 31.823 0.545 0.000 0.672 278 V HN 0.344 nan 8.190 nan 0.000 0.457 279 L N 0.263 121.549 121.223 0.105 0.000 2.013 279 L HA -0.227 4.114 4.340 0.001 0.000 0.212 279 L C 2.457 179.283 176.870 -0.074 0.000 1.073 279 L CA 2.068 56.659 54.840 -0.415 0.000 0.753 279 L CB -0.771 41.135 42.059 -0.256 0.000 0.890 279 L HN 0.244 nan 8.230 nan 0.000 0.432 280 Q N -0.606 119.295 119.800 0.169 0.000 2.119 280 Q HA -0.161 4.180 4.340 0.001 0.000 0.201 280 Q C 2.293 178.523 176.000 0.382 0.000 0.972 280 Q CA 1.708 57.686 55.803 0.291 0.000 0.847 280 Q CB -0.648 28.309 28.738 0.364 0.000 0.903 280 Q HN 0.547 nan 8.270 nan 0.000 0.433 281 L N -0.443 121.049 121.223 0.449 0.000 1.989 281 L HA -0.161 4.179 4.340 0.001 0.000 0.211 281 L C 2.065 179.161 176.870 0.378 0.000 1.071 281 L CA 1.909 56.981 54.840 0.387 0.000 0.749 281 L CB -0.786 41.451 42.059 0.296 0.000 0.890 281 L HN 0.308 nan 8.230 nan 0.000 0.431 282 W N 0.023 121.533 121.300 0.350 0.000 2.381 282 W HA -0.131 4.529 4.660 0.001 0.000 0.301 282 W C 2.365 179.039 176.519 0.258 0.000 1.205 282 W CA 2.361 59.987 57.345 0.468 0.000 1.285 282 W CB -0.381 29.305 29.460 0.376 0.000 1.133 282 W HN 0.268 nan 8.180 nan 0.000 0.521 283 A N -0.186 122.789 122.820 0.258 0.000 1.883 283 A HA -0.259 4.062 4.320 0.001 0.000 0.217 283 A C 1.975 179.524 177.584 -0.059 0.000 1.186 283 A CA 3.038 55.128 52.037 0.089 0.000 0.624 283 A CB -1.613 17.492 19.000 0.176 0.000 0.822 283 A HN 0.412 nan 8.150 nan 0.000 0.444 284 T N -4.351 110.203 114.554 -0.000 0.000 3.067 284 T HA 0.057 4.408 4.350 0.001 0.000 0.257 284 T C 1.357 176.002 174.700 -0.092 0.000 1.105 284 T CA 1.031 63.096 62.100 -0.058 0.000 1.104 284 T CB 0.102 68.888 68.868 -0.137 0.000 0.925 284 T HN 0.359 nan 8.240 nan 0.000 0.498 285 Q N 0.255 119.995 119.800 -0.101 0.000 2.189 285 Q HA 0.370 4.711 4.340 0.001 0.000 0.223 285 Q C 2.018 177.964 176.000 -0.090 0.000 0.828 285 Q CA 0.442 56.166 55.803 -0.132 0.000 0.967 285 Q CB 0.458 29.059 28.738 -0.227 0.000 1.139 285 Q HN 0.635 nan 8.270 nan 0.000 0.497 286 G N 0.811 109.499 108.800 -0.187 0.000 2.813 286 G HA2 -0.104 3.856 3.960 0.001 0.000 0.209 286 G HA3 -0.104 3.856 3.960 0.001 0.000 0.209 286 G C 1.113 175.872 174.900 -0.234 0.000 1.150 286 G CA 0.173 45.155 45.100 -0.198 0.000 0.785 286 G HN 0.182 nan 8.290 nan 0.000 0.535 287 N N -0.491 118.063 118.700 -0.243 0.000 2.445 287 N HA 0.128 4.869 4.740 0.001 0.000 0.204 287 N C 2.159 177.538 175.510 -0.219 0.000 1.098 287 N CA -0.119 52.795 53.050 -0.228 0.000 0.859 287 N CB 0.007 38.377 38.487 -0.195 0.000 1.249 287 N HN 0.171 nan 8.380 nan 0.000 0.462 288 M N 0.851 120.334 119.600 -0.195 0.000 2.065 288 M HA -0.074 4.407 4.480 0.001 0.000 0.259 288 M C 2.220 178.387 176.300 -0.221 0.000 1.069 288 M CA 2.011 57.210 55.300 -0.169 0.000 1.110 288 M CB -0.784 31.716 32.600 -0.167 0.000 1.328 288 M HN 0.143 nan 8.290 nan 0.000 0.405 289 G N 0.798 109.391 108.800 -0.345 0.000 2.514 289 G HA2 -0.208 3.753 3.960 0.001 0.000 0.217 289 G HA3 -0.208 3.753 3.960 0.001 0.000 0.217 289 G C -1.064 173.602 174.900 -0.390 0.000 1.198 289 G CA 0.733 45.574 45.100 -0.432 0.000 0.780 289 G HN 0.331 nan 8.290 nan 0.000 0.565 290 P HA -0.092 nan 4.420 nan 0.000 0.216 290 P C 2.209 179.559 177.300 0.084 0.000 1.153 290 P CA 2.111 65.072 63.100 -0.232 0.000 0.858 290 P CB -0.187 31.374 31.700 -0.233 0.000 0.789 291 A N -0.074 122.769 122.820 0.038 0.000 1.908 291 A HA -0.148 4.172 4.320 0.001 0.000 0.218 291 A C 2.329 180.011 177.584 0.164 0.000 1.181 291 A CA 2.275 54.393 52.037 0.135 0.000 0.627 291 A CB -1.615 17.397 19.000 0.021 0.000 0.818 291 A HN 0.211 nan 8.150 nan 0.000 0.445 292 A N -1.272 121.606 122.820 0.097 0.000 1.968 292 A HA 0.068 4.389 4.320 0.001 0.000 0.217 292 A C 1.984 179.664 177.584 0.159 0.000 1.169 292 A CA 1.400 53.533 52.037 0.160 0.000 0.638 292 A CB -0.685 18.417 19.000 0.169 0.000 0.812 292 A HN 0.757 nan 8.150 nan 0.000 0.446 293 F N -0.390 119.526 119.950 -0.056 0.000 2.069 293 F HA -0.230 4.298 4.527 0.001 0.000 0.298 293 F C 1.949 177.592 175.800 -0.261 0.000 1.113 293 F CA 1.926 59.814 58.000 -0.187 0.000 1.214 293 F CB -0.699 38.063 39.000 -0.397 0.000 0.978 293 F HN 0.375 nan 8.300 nan 0.000 0.474 294 W N 0.562 121.617 121.300 -0.409 0.000 2.358 294 W HA -0.136 4.525 4.660 0.001 0.000 0.303 294 W C 2.523 178.662 176.519 -0.633 0.000 1.208 294 W CA 1.229 58.122 57.345 -0.754 0.000 1.274 294 W CB -0.752 28.514 29.460 -0.325 0.000 1.138 294 W HN 0.148 nan 8.180 nan 0.000 0.515 295 L N 0.177 121.425 121.223 0.042 0.000 1.989 295 L HA -0.248 4.093 4.340 0.001 0.000 0.211 295 L C 2.233 179.098 176.870 -0.008 0.000 1.071 295 L CA 1.639 56.562 54.840 0.138 0.000 0.749 295 L CB -0.576 41.606 42.059 0.205 0.000 0.890 295 L HN 0.026 nan 8.230 nan 0.000 0.431 296 L N -0.884 120.303 121.223 -0.060 0.000 2.046 296 L HA -0.237 4.103 4.340 0.001 0.000 0.208 296 L C 2.525 179.275 176.870 -0.200 0.000 1.077 296 L CA 0.824 55.620 54.840 -0.074 0.000 0.747 296 L CB -0.548 41.518 42.059 0.011 0.000 0.896 296 L HN 0.351 nan 8.230 nan 0.000 0.432 297 L N -0.657 120.306 121.223 -0.433 0.000 2.017 297 L HA -0.204 4.136 4.340 0.001 0.000 0.208 297 L C 2.334 178.992 176.870 -0.353 0.000 1.073 297 L CA 1.869 56.407 54.840 -0.504 0.000 0.745 297 L CB -0.588 40.921 42.059 -0.917 0.000 0.894 297 L HN -0.006 nan 8.230 nan 0.000 0.432 298 F N -0.496 119.240 119.950 -0.355 0.000 2.134 298 F HA -0.195 4.332 4.527 0.001 0.000 0.299 298 F C 2.351 177.878 175.800 -0.455 0.000 1.097 298 F CA 1.267 58.901 58.000 -0.610 0.000 1.264 298 F CB -1.041 37.152 39.000 -1.345 0.000 1.001 298 F HN 0.033 nan 8.300 nan 0.000 0.479 299 L N -0.741 120.422 121.223 -0.099 0.000 2.046 299 L HA -0.223 4.118 4.340 0.001 0.000 0.208 299 L C 2.404 179.260 176.870 -0.024 0.000 1.077 299 L CA 1.152 55.984 54.840 -0.013 0.000 0.747 299 L CB -0.809 41.258 42.059 0.013 0.000 0.896 299 L HN 0.156 nan 8.230 nan 0.000 0.432 300 L N -0.447 120.742 121.223 -0.055 0.000 2.191 300 L HA -0.177 4.164 4.340 0.001 0.000 0.212 300 L C 2.415 179.270 176.870 -0.025 0.000 1.103 300 L CA 1.051 55.864 54.840 -0.045 0.000 0.769 300 L CB -0.338 41.680 42.059 -0.069 0.000 0.908 300 L HN 0.207 nan 8.230 nan 0.000 0.438 301 K N -0.333 120.055 120.400 -0.019 0.000 2.379 301 K HA 0.124 4.445 4.320 0.001 0.000 0.194 301 K C 0.073 176.705 176.600 0.054 0.000 1.031 301 K CA 0.281 56.580 56.287 0.020 0.000 1.037 301 K CB 0.232 32.755 32.500 0.038 0.000 0.824 301 K HN 0.307 nan 8.250 nan 0.000 0.516 302 N N 1.426 120.163 118.700 0.061 0.000 2.746 302 N HA 0.145 4.886 4.740 0.001 0.000 0.250 302 N C -2.429 173.113 175.510 0.053 0.000 1.146 302 N CA -1.210 51.902 53.050 0.103 0.000 0.828 302 N CB 1.828 40.454 38.487 0.231 0.000 1.158 302 N HN -0.194 nan 8.380 nan 0.000 0.519 303 P HA -0.235 nan 4.420 nan 0.000 0.217 303 P C 1.418 178.699 177.300 -0.032 0.000 1.151 303 P CA 1.372 64.471 63.100 -0.002 0.000 0.849 303 P CB 0.447 32.150 31.700 0.005 0.000 0.787 304 E N -0.212 119.972 120.200 -0.026 0.000 2.106 304 E HA -0.164 4.186 4.350 0.001 0.000 0.192 304 E C 1.895 178.322 176.600 -0.288 0.000 0.984 304 E CA 1.259 57.612 56.400 -0.077 0.000 0.806 304 E CB -0.789 28.919 29.700 0.014 0.000 0.750 304 E HN 0.102 nan 8.360 nan 0.000 0.458 305 A N 1.924 124.554 122.820 -0.316 0.000 1.873 305 A HA -0.104 4.217 4.320 0.001 0.000 0.215 305 A C 2.322 179.729 177.584 -0.296 0.000 1.186 305 A CA 1.174 52.867 52.037 -0.574 0.000 0.616 305 A CB -0.834 18.165 19.000 -0.002 0.000 0.823 305 A HN 0.407 nan 8.150 nan 0.000 0.442 306 L N -0.676 120.477 121.223 -0.118 0.000 2.042 306 L HA -0.239 4.101 4.340 0.001 0.000 0.210 306 L C 2.956 179.771 176.870 -0.092 0.000 1.076 306 L CA 1.558 56.355 54.840 -0.072 0.000 0.749 306 L CB -0.469 41.567 42.059 -0.038 0.000 0.893 306 L HN 0.460 nan 8.230 nan 0.000 0.432 307 A N -0.537 122.220 122.820 -0.105 0.000 1.933 307 A HA -0.167 4.153 4.320 0.001 0.000 0.218 307 A C 2.409 179.935 177.584 -0.097 0.000 1.175 307 A CA 1.623 53.609 52.037 -0.085 0.000 0.628 307 A CB -0.657 18.302 19.000 -0.068 0.000 0.814 307 A HN 0.540 nan 8.150 nan 0.000 0.444 308 A N -0.601 122.118 122.820 -0.168 0.000 1.898 308 A HA 0.041 4.362 4.320 0.001 0.000 0.216 308 A C 2.232 179.776 177.584 -0.067 0.000 1.181 308 A CA 1.737 53.696 52.037 -0.129 0.000 0.620 308 A CB -0.829 18.012 19.000 -0.265 0.000 0.819 308 A HN 0.357 nan 8.150 nan 0.000 0.442 309 V N -0.031 119.832 119.914 -0.086 0.000 2.270 309 V HA -0.241 3.879 4.120 0.001 0.000 0.245 309 V C 2.609 178.656 176.094 -0.078 0.000 1.043 309 V CA 2.121 64.391 62.300 -0.049 0.000 1.014 309 V CB -0.834 30.972 31.823 -0.028 0.000 0.645 309 V HN 0.505 nan 8.190 nan 0.000 0.447 310 R N 0.150 120.605 120.500 -0.076 0.000 2.103 310 R HA -0.157 4.184 4.340 0.001 0.000 0.242 310 R C 2.445 178.710 176.300 -0.058 0.000 1.142 310 R CA 1.640 57.696 56.100 -0.073 0.000 0.960 310 R CB -0.903 29.364 30.300 -0.053 0.000 0.858 310 R HN 0.613 nan 8.270 nan 0.000 0.439 311 G N 0.720 109.493 108.800 -0.045 0.000 2.421 311 G HA2 -0.317 3.644 3.960 0.001 0.000 0.216 311 G HA3 -0.317 3.644 3.960 0.001 0.000 0.216 311 G C 1.251 176.143 174.900 -0.013 0.000 1.171 311 G CA 0.743 45.826 45.100 -0.028 0.000 0.775 311 G HN 0.415 nan 8.290 nan 0.000 0.543 312 E N 0.058 120.252 120.200 -0.011 0.000 2.058 312 E HA -0.103 4.247 4.350 0.001 0.000 0.194 312 E C 2.512 179.110 176.600 -0.003 0.000 0.997 312 E CA 0.782 57.188 56.400 0.010 0.000 0.801 312 E CB -0.222 29.491 29.700 0.021 0.000 0.746 312 E HN 0.443 nan 8.360 nan 0.000 0.450 313 L N 0.492 121.665 121.223 -0.084 0.000 2.056 313 L HA -0.146 4.195 4.340 0.001 0.000 0.207 313 L C 2.764 179.635 176.870 0.002 0.000 1.078 313 L CA 1.467 56.217 54.840 -0.151 0.000 0.749 313 L CB -0.594 41.235 42.059 -0.383 0.000 0.901 313 L HN 0.303 nan 8.230 nan 0.000 0.433 314 E N 0.119 120.323 120.200 0.006 0.000 2.077 314 E HA -0.194 4.157 4.350 0.001 0.000 0.193 314 E C 2.259 178.927 176.600 0.114 0.000 0.989 314 E CA 1.525 57.959 56.400 0.056 0.000 0.800 314 E CB 0.167 29.875 29.700 0.013 0.000 0.746 314 E HN 0.341 nan 8.360 nan 0.000 0.452 315 S N 1.008 116.757 115.700 0.082 0.000 2.353 315 S HA -0.191 4.280 4.470 0.001 0.000 0.222 315 S C 2.135 176.861 174.600 0.209 0.000 1.035 315 S CA 1.561 59.831 58.200 0.117 0.000 1.025 315 S CB -0.469 62.773 63.200 0.070 0.000 0.902 315 S HN 0.506 nan 8.310 nan 0.000 0.440 316 I N -0.452 120.224 120.570 0.176 0.000 2.315 316 I HA -0.071 4.099 4.170 0.001 0.000 0.248 316 I C 1.965 178.204 176.117 0.203 0.000 1.117 316 I CA 1.327 62.741 61.300 0.189 0.000 1.404 316 I CB -0.567 37.547 38.000 0.191 0.000 1.071 316 I HN 0.162 nan 8.210 nan 0.000 0.419 317 L N -0.334 121.026 121.223 0.229 0.000 2.093 317 L HA -0.053 4.288 4.340 0.001 0.000 0.208 317 L C 1.242 178.221 176.870 0.181 0.000 1.085 317 L CA 0.814 55.777 54.840 0.206 0.000 0.755 317 L CB -0.454 41.743 42.059 0.230 0.000 0.904 317 L HN 0.411 nan 8.230 nan 0.000 0.435 318 W N 1.577 122.907 121.300 0.051 0.000 2.253 318 W HA 0.232 4.892 4.660 0.001 0.000 0.322 318 W C 0.122 176.659 176.519 0.031 0.000 1.342 318 W CA 0.107 57.472 57.345 0.033 0.000 1.218 318 W CB 0.447 29.922 29.460 0.026 0.000 1.205 318 W HN 0.022 nan 8.180 nan 0.000 0.551 330 L N 3.391 124.181 121.223 -0.720 0.000 2.427 330 L HA 0.513 4.853 4.340 0.001 0.000 0.264 330 L C -2.844 173.759 176.870 -0.445 0.000 0.989 330 L CA -2.019 52.374 54.840 -0.745 0.000 0.865 330 L CB 1.629 42.910 42.059 -1.298 0.000 1.209 330 L HN -0.080 nan 8.230 nan 0.000 0.430 331 P HA 0.072 nan 4.420 nan 0.000 0.268 331 P C 0.086 177.280 177.300 -0.176 0.000 1.205 331 P CA -0.202 62.789 63.100 -0.183 0.000 0.771 331 P CB 0.934 32.558 31.700 -0.126 0.000 0.858 332 Q N 3.220 122.947 119.800 -0.121 0.000 2.181 332 Q HA -0.214 4.127 4.340 0.001 0.000 0.205 332 Q C 1.827 177.789 176.000 -0.063 0.000 0.980 332 Q CA 1.781 57.530 55.803 -0.090 0.000 0.862 332 Q CB -0.380 28.328 28.738 -0.050 0.000 0.905 332 Q HN 0.360 nan 8.270 nan 0.000 0.429 333 K N -1.087 119.282 120.400 -0.051 0.000 2.103 333 K HA -0.133 4.187 4.320 0.001 0.000 0.207 333 K C 1.707 178.301 176.600 -0.010 0.000 1.048 333 K CA 1.444 57.718 56.287 -0.022 0.000 0.930 333 K CB 0.006 32.494 32.500 -0.020 0.000 0.716 333 K HN 0.148 nan 8.250 nan 0.000 0.444 334 V N 1.352 121.240 119.914 -0.042 0.000 2.307 334 V HA -0.236 3.884 4.120 0.001 0.000 0.245 334 V C 2.264 178.369 176.094 0.019 0.000 1.045 334 V CA 1.476 63.770 62.300 -0.009 0.000 1.024 334 V CB -0.368 31.411 31.823 -0.074 0.000 0.651 334 V HN 0.328 nan 8.190 nan 0.000 0.449 335 L N 1.163 122.329 121.223 -0.096 0.000 2.042 335 L HA -0.201 4.140 4.340 0.001 0.000 0.210 335 L C 2.027 178.941 176.870 0.073 0.000 1.076 335 L CA 2.082 56.898 54.840 -0.040 0.000 0.749 335 L CB -0.698 41.298 42.059 -0.104 0.000 0.893 335 L HN 0.609 nan 8.230 nan 0.000 0.432 336 D N -2.548 117.878 120.400 0.044 0.000 2.325 336 D HA -0.054 4.587 4.640 0.001 0.000 0.234 336 D C 0.817 177.163 176.300 0.078 0.000 1.122 336 D CA 0.154 54.190 54.000 0.059 0.000 0.850 336 D CB 0.059 40.880 40.800 0.035 0.000 0.921 336 D HN -0.035 nan 8.370 nan 0.000 0.513 337 S N -0.335 115.427 115.700 0.102 0.000 2.526 337 S HA 0.136 4.606 4.470 0.001 0.000 0.245 337 S C 0.330 175.015 174.600 0.142 0.000 1.103 337 S CA -0.532 57.734 58.200 0.111 0.000 1.095 337 S CB 0.136 63.398 63.200 0.103 0.000 0.826 337 S HN 0.453 nan 8.310 nan 0.000 0.468 338 T N -0.264 114.383 114.554 0.154 0.000 3.444 338 T HA 0.289 4.639 4.350 0.001 0.000 0.265 338 T C -1.930 172.854 174.700 0.140 0.000 1.537 338 T CA -1.654 60.542 62.100 0.161 0.000 1.530 338 T CB 0.828 69.827 68.868 0.219 0.000 0.958 338 T HN -0.031 nan 8.240 nan 0.000 0.684 339 P HA -0.103 nan 4.420 nan 0.000 0.215 339 P C 1.660 179.048 177.300 0.146 0.000 1.153 339 P CA 0.630 63.806 63.100 0.126 0.000 0.853 339 P CB 0.082 31.848 31.700 0.109 0.000 0.788 340 V N 0.232 120.235 119.914 0.149 0.000 2.295 340 V HA -0.205 3.916 4.120 0.001 0.000 0.246 340 V C 2.698 178.912 176.094 0.200 0.000 1.049 340 V CA 1.550 63.964 62.300 0.190 0.000 1.024 340 V CB -1.384 30.553 31.823 0.191 0.000 0.648 340 V HN 0.022 nan 8.190 nan 0.000 0.447 341 L N 0.503 121.822 121.223 0.159 0.000 2.083 341 L HA -0.154 4.187 4.340 0.001 0.000 0.209 341 L C 2.038 179.021 176.870 0.187 0.000 1.083 341 L CA 1.959 56.897 54.840 0.164 0.000 0.752 341 L CB -0.995 41.141 42.059 0.127 0.000 0.899 341 L HN 0.304 nan 8.230 nan 0.000 0.433 342 D N -1.141 119.363 120.400 0.174 0.000 2.104 342 D HA -0.207 4.433 4.640 0.001 0.000 0.194 342 D C 2.382 178.786 176.300 0.174 0.000 0.994 342 D CA 1.564 55.662 54.000 0.163 0.000 0.830 342 D CB -0.296 40.590 40.800 0.143 0.000 0.959 342 D HN 0.403 nan 8.370 nan 0.000 0.452 343 S N -0.289 115.533 115.700 0.204 0.000 2.368 343 S HA -0.125 4.346 4.470 0.001 0.000 0.225 343 S C 2.156 176.913 174.600 0.261 0.000 1.030 343 S CA 0.942 59.295 58.200 0.256 0.000 0.999 343 S CB -0.322 63.019 63.200 0.236 0.000 0.844 343 S HN 0.052 nan 8.310 nan 0.000 0.459 344 V N 1.911 121.989 119.914 0.273 0.000 2.332 344 V HA -0.141 3.980 4.120 0.001 0.000 0.248 344 V C 2.443 178.745 176.094 0.346 0.000 1.055 344 V CA 1.916 64.427 62.300 0.352 0.000 1.038 344 V CB -0.697 31.353 31.823 0.379 0.000 0.651 344 V HN 0.522 nan 8.190 nan 0.000 0.450 345 L N -0.139 121.239 121.223 0.259 0.000 2.056 345 L HA -0.087 4.253 4.340 0.001 0.000 0.207 345 L C 2.509 179.475 176.870 0.160 0.000 1.078 345 L CA 2.123 57.099 54.840 0.227 0.000 0.749 345 L CB -0.758 41.427 42.059 0.210 0.000 0.901 345 L HN 0.262 nan 8.230 nan 0.000 0.433 346 S N -0.468 115.279 115.700 0.077 0.000 2.370 346 S HA -0.229 4.242 4.470 0.001 0.000 0.226 346 S C 1.857 176.409 174.600 -0.080 0.000 1.033 346 S CA 1.463 59.567 58.200 -0.161 0.000 1.011 346 S CB -0.311 62.559 63.200 -0.551 0.000 0.852 346 S HN 0.587 nan 8.310 nan 0.000 0.457 347 E N 1.544 121.853 120.200 0.181 0.000 2.106 347 E HA -0.051 4.299 4.350 0.001 0.000 0.192 347 E C 2.039 178.767 176.600 0.213 0.000 0.984 347 E CA 1.399 57.942 56.400 0.238 0.000 0.806 347 E CB -0.356 29.381 29.700 0.062 0.000 0.750 347 E HN 0.340 nan 8.360 nan 0.000 0.458 348 S N 0.181 116.096 115.700 0.359 0.000 2.356 348 S HA -0.108 4.362 4.470 0.001 0.000 0.223 348 S C 1.906 176.652 174.600 0.244 0.000 1.032 348 S CA 1.224 59.693 58.200 0.449 0.000 1.005 348 S CB -0.339 63.171 63.200 0.517 0.000 0.867 348 S HN 0.269 nan 8.310 nan 0.000 0.449 349 L N 1.065 122.350 121.223 0.103 0.000 2.083 349 L HA -0.067 4.274 4.340 0.001 0.000 0.209 349 L C 2.731 179.565 176.870 -0.060 0.000 1.083 349 L CA 1.115 55.929 54.840 -0.044 0.000 0.752 349 L CB -0.446 41.503 42.059 -0.183 0.000 0.899 349 L HN 0.256 nan 8.230 nan 0.000 0.433 350 R N 0.659 121.128 120.500 -0.052 0.000 2.105 350 R HA -0.177 4.164 4.340 0.001 0.000 0.239 350 R C 2.165 178.406 176.300 -0.099 0.000 1.135 350 R CA 1.482 57.521 56.100 -0.102 0.000 0.967 350 R CB -0.147 30.082 30.300 -0.119 0.000 0.861 350 R HN 0.345 nan 8.270 nan 0.000 0.442 351 L N -0.571 120.639 121.223 -0.021 0.000 2.341 351 L HA 0.005 4.346 4.340 0.001 0.000 0.214 351 L C 1.768 178.767 176.870 0.214 0.000 1.115 351 L CA 1.325 56.187 54.840 0.037 0.000 0.820 351 L CB 0.297 42.383 42.059 0.044 0.000 0.944 351 L HN 0.386 nan 8.230 nan 0.000 0.452 352 T N -4.920 109.682 114.554 0.081 0.000 3.016 352 T HA 0.360 4.711 4.350 0.001 0.000 0.271 352 T C 0.571 175.155 174.700 -0.193 0.000 0.968 352 T CA 0.106 62.108 62.100 -0.165 0.000 0.891 352 T CB 0.328 68.836 68.868 -0.599 0.000 1.149 352 T HN 0.042 nan 8.240 nan 0.000 0.524 353 A N 1.104 123.887 122.820 -0.061 0.000 2.309 353 A HA 0.825 5.146 4.320 0.001 0.000 0.290 353 A C 0.637 178.211 177.584 -0.016 0.000 1.206 353 A CA -0.298 51.673 52.037 -0.110 0.000 0.850 353 A CB 0.062 18.949 19.000 -0.188 0.000 1.118 353 A HN 0.861 nan 8.150 nan 0.000 0.523 354 A N 4.735 127.490 122.820 -0.108 0.000 2.959 354 A HA 0.564 4.885 4.320 0.001 0.000 0.280 354 A C -2.638 174.986 177.584 0.066 0.000 0.953 354 A CA -1.085 50.926 52.037 -0.043 0.000 1.047 354 A CB 0.115 18.910 19.000 -0.341 0.000 1.147 354 A HN 0.597 nan 8.150 nan 0.000 0.489 355 P HA 0.279 nan 4.420 nan 0.000 0.271 355 P C -0.622 176.781 177.300 0.173 0.000 1.218 355 P CA 0.115 63.215 63.100 0.001 0.000 0.780 355 P CB 0.557 32.268 31.700 0.018 0.000 0.901 356 F N 1.411 121.352 119.950 -0.015 0.000 2.389 356 F HA 0.324 4.851 4.527 0.001 0.000 0.337 356 F C 1.130 176.882 175.800 -0.081 0.000 1.112 356 F CA -0.898 57.063 58.000 -0.065 0.000 1.192 356 F CB -0.024 38.830 39.000 -0.244 0.000 1.185 356 F HN 0.091 nan 8.300 nan 0.000 0.552 357 I N 2.466 123.110 120.570 0.123 0.000 2.328 357 I HA 0.297 4.468 4.170 0.001 0.000 0.287 357 I C -0.111 175.979 176.117 -0.045 0.000 1.012 357 I CA -0.368 60.934 61.300 0.003 0.000 1.195 357 I CB 1.215 39.163 38.000 -0.086 0.000 1.350 357 I HN 0.615 nan 8.210 nan 0.000 0.464 358 T N 3.693 118.230 114.554 -0.028 0.000 2.916 358 T HA 0.706 5.057 4.350 0.001 0.000 0.292 358 T C -0.377 174.332 174.700 0.015 0.000 1.055 358 T CA -1.002 61.066 62.100 -0.055 0.000 1.009 358 T CB 2.447 71.250 68.868 -0.108 0.000 1.118 358 T HN 0.358 nan 8.240 nan 0.000 0.497 359 R N 1.214 121.714 120.500 0.000 0.000 2.698 359 R HA 0.467 4.807 4.340 0.001 0.000 0.275 359 R C -1.097 175.209 176.300 0.009 0.000 1.001 359 R CA -0.760 55.367 56.100 0.044 0.000 0.896 359 R CB 1.998 32.336 30.300 0.063 0.000 1.218 359 R HN 0.729 nan 8.270 nan 0.000 0.462 360 E N 1.604 121.816 120.200 0.019 0.000 2.197 360 E HA 0.236 4.587 4.350 0.001 0.000 0.281 360 E C -0.279 176.326 176.600 0.008 0.000 0.995 360 E CA -0.746 55.655 56.400 0.001 0.000 0.808 360 E CB 2.040 31.740 29.700 0.001 0.000 1.093 360 E HN 0.186 nan 8.360 nan 0.000 0.394 361 V N 3.982 123.898 119.914 0.004 0.000 2.427 361 V HA -0.008 4.113 4.120 0.001 0.000 0.268 361 V C 1.410 177.511 176.094 0.012 0.000 1.046 361 V CA -0.069 62.239 62.300 0.013 0.000 0.970 361 V CB 0.936 32.765 31.823 0.010 0.000 1.001 361 V HN 0.535 nan 8.190 nan 0.000 0.476 362 V N 5.227 125.150 119.914 0.015 0.000 2.649 362 V HA 0.076 4.197 4.120 0.001 0.000 0.248 362 V C 0.613 176.715 176.094 0.012 0.000 1.054 362 V CA 1.131 63.437 62.300 0.010 0.000 1.073 362 V CB 0.749 32.575 31.823 0.005 0.000 0.699 362 V HN 0.587 nan 8.190 nan 0.000 0.463 363 V N -0.629 119.295 119.914 0.017 0.000 3.049 363 V HA 0.449 4.570 4.120 0.001 0.000 0.309 363 V C -1.518 174.587 176.094 0.018 0.000 1.148 363 V CA -0.899 61.411 62.300 0.017 0.000 0.990 363 V CB 2.297 34.132 31.823 0.019 0.000 1.039 363 V HN 0.269 nan 8.190 nan 0.000 0.430 364 D N 4.044 124.452 120.400 0.014 0.000 2.531 364 D HA 0.404 5.045 4.640 0.001 0.000 0.239 364 D C -0.332 175.982 176.300 0.022 0.000 1.144 364 D CA 1.037 55.045 54.000 0.015 0.000 0.869 364 D CB 0.389 41.194 40.800 0.009 0.000 1.160 364 D HN 0.634 nan 8.370 nan 0.000 0.484 365 L N -0.643 120.597 121.223 0.028 0.000 2.568 365 L HA 0.857 5.197 4.340 0.001 0.000 0.257 365 L C -1.119 175.777 176.870 0.044 0.000 1.024 365 L CA -1.427 53.435 54.840 0.036 0.000 0.854 365 L CB 1.430 43.516 42.059 0.044 0.000 1.460 365 L HN 0.184 nan 8.230 nan 0.000 0.409 366 A N 1.952 124.798 122.820 0.045 0.000 2.276 366 A HA 0.778 5.098 4.320 0.001 0.000 0.316 366 A C -0.451 177.174 177.584 0.068 0.000 1.229 366 A CA -0.353 51.714 52.037 0.050 0.000 0.851 366 A CB 0.815 19.831 19.000 0.026 0.000 1.165 366 A HN 0.903 nan 8.150 nan 0.000 0.513 367 M N 5.563 125.222 119.600 0.097 0.000 2.129 367 M HA 0.395 4.876 4.480 0.001 0.000 0.348 367 M C -2.510 173.866 176.300 0.126 0.000 1.116 367 M CA -2.241 53.129 55.300 0.116 0.000 1.022 367 M CB 1.891 34.570 32.600 0.131 0.000 1.599 367 M HN 0.396 nan 8.290 nan 0.000 0.449 368 P HA 0.217 nan 4.420 nan 0.000 0.279 368 P C -1.168 176.208 177.300 0.128 0.000 1.239 368 P CA -0.322 62.833 63.100 0.092 0.000 0.789 368 P CB 0.794 32.539 31.700 0.075 0.000 0.933 369 M N 2.016 121.692 119.600 0.126 0.000 2.409 369 M HA 0.307 4.787 4.480 0.001 0.000 0.329 369 M C 1.539 177.897 176.300 0.095 0.000 1.180 369 M CA -0.785 54.602 55.300 0.145 0.000 1.053 369 M CB 0.991 33.707 32.600 0.193 0.000 1.586 369 M HN 0.432 nan 8.290 nan 0.000 0.461 370 A N 1.676 124.554 122.820 0.097 0.000 2.019 370 A HA -0.182 4.138 4.320 0.001 0.000 0.219 370 A C 1.297 178.890 177.584 0.014 0.000 1.164 370 A CA 2.121 54.194 52.037 0.060 0.000 0.644 370 A CB -0.980 18.065 19.000 0.075 0.000 0.805 370 A HN 0.925 nan 8.150 nan 0.000 0.449 371 D N -3.137 117.274 120.400 0.019 0.000 2.347 371 D HA 0.305 4.945 4.640 0.001 0.000 0.215 371 D C 1.201 177.501 176.300 -0.000 0.000 0.976 371 D CA 1.150 55.149 54.000 -0.003 0.000 0.884 371 D CB -0.041 40.766 40.800 0.012 0.000 0.915 371 D HN 0.621 nan 8.370 nan 0.000 0.526 372 G N -0.403 108.401 108.800 0.007 0.000 2.380 372 G HA2 -0.248 3.713 3.960 0.001 0.000 0.197 372 G HA3 -0.248 3.713 3.960 0.001 0.000 0.197 372 G C 0.335 175.215 174.900 -0.034 0.000 1.001 372 G CA -0.426 44.669 45.100 -0.009 0.000 0.668 372 G HN 0.297 nan 8.290 nan 0.000 0.483 373 R N 1.320 121.793 120.500 -0.045 0.000 2.698 373 R HA 0.508 4.848 4.340 0.001 0.000 0.266 373 R C 0.149 176.355 176.300 -0.156 0.000 1.026 373 R CA 0.683 56.694 56.100 -0.148 0.000 1.102 373 R CB 0.351 30.551 30.300 -0.168 0.000 0.978 373 R HN 0.463 nan 8.270 nan 0.000 0.436 374 E N 1.273 121.302 120.200 -0.285 0.000 2.256 374 E HA 0.368 4.719 4.350 0.001 0.000 0.267 374 E C -1.226 175.115 176.600 -0.432 0.000 0.892 374 E CA -0.638 55.645 56.400 -0.196 0.000 0.775 374 E CB 1.576 31.219 29.700 -0.095 0.000 1.207 374 E HN 0.232 nan 8.360 nan 0.000 0.420 375 F N 1.195 121.157 119.950 0.019 0.000 2.540 375 F HA 0.334 4.861 4.527 0.001 0.000 0.317 375 F C 0.059 175.863 175.800 0.007 0.000 1.104 375 F CA -1.048 56.959 58.000 0.012 0.000 0.913 375 F CB 1.501 40.507 39.000 0.010 0.000 1.170 375 F HN 0.211 nan 8.300 nan 0.000 0.450 376 N N 4.042 122.852 118.700 0.183 0.000 2.444 376 N HA 0.473 5.214 4.740 0.001 0.000 0.271 376 N C -0.924 174.637 175.510 0.085 0.000 1.069 376 N CA -0.169 52.940 53.050 0.098 0.000 0.965 376 N CB 1.125 39.646 38.487 0.057 0.000 1.092 376 N HN 0.469 nan 8.380 nan 0.000 0.476 377 L N 1.749 123.005 121.223 0.056 0.000 2.342 377 L HA 0.556 4.897 4.340 0.001 0.000 0.271 377 L C 0.612 177.490 176.870 0.012 0.000 1.008 377 L CA -0.926 53.931 54.840 0.028 0.000 0.818 377 L CB 1.859 43.935 42.059 0.028 0.000 1.296 377 L HN 0.226 nan 8.230 nan 0.000 0.427 378 R N 1.025 121.522 120.500 -0.005 0.000 2.540 378 R HA 0.394 4.735 4.340 0.001 0.000 0.287 378 R C -0.249 176.051 176.300 -0.000 0.000 0.980 378 R CA -0.967 55.127 56.100 -0.011 0.000 0.966 378 R CB 1.631 31.909 30.300 -0.038 0.000 1.106 378 R HN 0.508 nan 8.270 nan 0.000 0.480 379 R N 0.814 121.316 120.500 0.004 0.000 2.494 379 R HA -0.112 4.229 4.340 0.001 0.000 0.291 379 R C 0.624 176.931 176.300 0.012 0.000 0.953 379 R CA 1.816 57.921 56.100 0.009 0.000 1.098 379 R CB -0.080 30.226 30.300 0.009 0.000 0.911 379 R HN 0.953 nan 8.270 nan 0.000 0.407 380 G N 2.936 111.744 108.800 0.014 0.000 2.217 380 G HA2 -0.239 3.722 3.960 0.001 0.000 0.246 380 G HA3 -0.239 3.722 3.960 0.001 0.000 0.246 380 G C -0.306 174.607 174.900 0.021 0.000 0.990 380 G CA 0.197 45.309 45.100 0.020 0.000 0.627 380 G HN 0.682 nan 8.290 nan 0.000 0.522 381 D N 0.186 120.597 120.400 0.019 0.000 2.368 381 D HA 0.468 5.108 4.640 0.001 0.000 0.240 381 D C 0.815 177.101 176.300 -0.024 0.000 1.169 381 D CA 0.002 54.011 54.000 0.015 0.000 0.906 381 D CB 0.686 41.491 40.800 0.009 0.000 1.187 381 D HN 0.502 nan 8.370 nan 0.000 0.435 382 R N 0.937 121.401 120.500 -0.060 0.000 2.407 382 R HA 0.449 4.789 4.340 0.001 0.000 0.303 382 R C -1.194 175.038 176.300 -0.113 0.000 0.981 382 R CA -0.786 55.257 56.100 -0.096 0.000 0.905 382 R CB 0.658 30.868 30.300 -0.151 0.000 1.099 382 R HN 0.241 nan 8.270 nan 0.000 0.459 383 L N 5.509 126.672 121.223 -0.099 0.000 2.295 383 L HA 0.509 4.850 4.340 0.001 0.000 0.285 383 L C -1.533 175.245 176.870 -0.153 0.000 1.035 383 L CA -0.454 54.318 54.840 -0.113 0.000 0.806 383 L CB 1.495 43.519 42.059 -0.059 0.000 1.214 383 L HN 0.705 nan 8.230 nan 0.000 0.426 384 L N 5.166 126.265 121.223 -0.207 0.000 2.381 384 L HA 0.635 4.975 4.340 0.001 0.000 0.274 384 L C -1.688 175.058 176.870 -0.206 0.000 0.988 384 L CA -0.530 54.159 54.840 -0.252 0.000 0.824 384 L CB 1.641 43.463 42.059 -0.394 0.000 1.263 384 L HN 0.534 nan 8.230 nan 0.000 0.410 385 L N 5.112 126.230 121.223 -0.175 0.000 2.334 385 L HA 0.514 4.855 4.340 0.001 0.000 0.276 385 L C -0.901 175.992 176.870 0.038 0.000 1.014 385 L CA -0.103 54.632 54.840 -0.176 0.000 0.815 385 L CB 1.559 43.301 42.059 -0.528 0.000 1.268 385 L HN 0.446 nan 8.230 nan 0.000 0.428 386 F N 4.473 124.407 119.950 -0.028 0.000 2.686 386 F HA 0.500 5.028 4.527 0.001 0.000 0.365 386 F C -1.944 173.974 175.800 0.196 0.000 1.196 386 F CA -2.732 55.343 58.000 0.126 0.000 1.198 386 F CB 1.029 40.125 39.000 0.160 0.000 1.454 386 F HN 0.352 nan 8.300 nan 0.000 0.539 387 P HA -0.223 nan 4.420 nan 0.000 0.217 387 P C 1.959 179.221 177.300 -0.062 0.000 1.148 387 P CA 1.328 64.499 63.100 0.118 0.000 0.828 387 P CB -0.073 31.684 31.700 0.095 0.000 0.783 388 F N 0.031 119.700 119.950 -0.467 0.000 2.115 388 F HA -0.243 4.284 4.527 0.001 0.000 0.300 388 F C 1.884 177.418 175.800 -0.443 0.000 1.092 388 F CA 1.612 59.277 58.000 -0.558 0.000 1.245 388 F CB -0.634 37.818 39.000 -0.914 0.000 0.995 388 F HN -0.205 nan 8.300 nan 0.000 0.481 389 L N -1.401 119.538 121.223 -0.474 0.000 2.049 389 L HA -0.017 4.323 4.340 0.001 0.000 0.203 389 L C 0.890 177.684 176.870 -0.127 0.000 1.074 389 L CA 1.056 55.751 54.840 -0.242 0.000 0.749 389 L CB -0.478 41.582 42.059 0.002 0.000 0.907 389 L HN 0.075 nan 8.230 nan 0.000 0.439 390 S N -1.439 114.246 115.700 -0.024 0.000 2.619 390 S HA 0.365 4.835 4.470 0.001 0.000 0.280 390 S C -2.147 172.511 174.600 0.097 0.000 1.150 390 S CA -1.185 57.021 58.200 0.011 0.000 0.978 390 S CB 1.830 65.027 63.200 -0.004 0.000 1.041 390 S HN -0.140 nan 8.310 nan 0.000 0.485 391 P HA 0.003 nan 4.420 nan 0.000 0.231 391 P C 0.872 178.257 177.300 0.141 0.000 1.168 391 P CA 0.584 63.716 63.100 0.053 0.000 0.779 391 P CB 0.223 31.965 31.700 0.070 0.000 0.844 392 Q N -0.064 119.755 119.800 0.032 0.000 2.124 392 Q HA -0.081 4.259 4.340 0.001 0.000 0.202 392 Q C 1.996 177.883 176.000 -0.187 0.000 0.977 392 Q CA 1.215 56.972 55.803 -0.075 0.000 0.850 392 Q CB -0.218 28.404 28.738 -0.193 0.000 0.901 392 Q HN 0.165 nan 8.270 nan 0.000 0.429 393 R N 0.743 121.109 120.500 -0.224 0.000 2.586 393 R HA 0.055 4.396 4.340 0.001 0.000 0.336 393 R C -0.746 175.510 176.300 -0.074 0.000 1.060 393 R CA -0.159 55.803 56.100 -0.229 0.000 1.079 393 R CB 0.616 30.659 30.300 -0.430 0.000 1.317 393 R HN 0.027 nan 8.270 nan 0.000 0.568 394 D N 1.197 121.613 120.400 0.026 0.000 2.325 394 D HA 0.056 4.697 4.640 0.001 0.000 0.251 394 D C -1.573 174.757 176.300 0.051 0.000 1.196 394 D CA -2.099 51.916 54.000 0.024 0.000 0.866 394 D CB 1.785 42.589 40.800 0.007 0.000 1.101 394 D HN 0.078 nan 8.370 nan 0.000 0.476 395 P HA -0.067 nan 4.420 nan 0.000 0.226 395 P C 0.597 177.906 177.300 0.015 0.000 1.153 395 P CA 0.733 63.848 63.100 0.025 0.000 0.777 395 P CB 0.445 32.150 31.700 0.008 0.000 0.794 396 E N -0.629 119.574 120.200 0.004 0.000 2.358 396 E HA 0.018 4.368 4.350 0.001 0.000 0.195 396 E C 1.825 178.411 176.600 -0.022 0.000 1.010 396 E CA 0.567 56.965 56.400 -0.003 0.000 0.856 396 E CB -0.131 29.571 29.700 0.004 0.000 0.795 396 E HN 0.360 nan 8.360 nan 0.000 0.504 397 I N -1.111 119.421 120.570 -0.064 0.000 3.300 397 I HA -0.007 4.163 4.170 0.001 0.000 0.279 397 I C 0.067 176.006 176.117 -0.296 0.000 1.172 397 I CA 0.239 61.419 61.300 -0.202 0.000 1.431 397 I CB 0.516 38.306 38.000 -0.349 0.000 1.240 397 I HN -0.074 nan 8.210 nan 0.000 0.453 398 Y N 1.299 121.601 120.300 0.004 0.000 2.326 398 Y HA 0.294 4.845 4.550 0.001 0.000 0.331 398 Y C 0.236 176.112 175.900 -0.041 0.000 0.962 398 Y CA -1.003 57.081 58.100 -0.026 0.000 1.167 398 Y CB 1.381 39.785 38.460 -0.093 0.000 1.148 398 Y HN -0.163 nan 8.280 nan 0.000 0.463 399 T N 4.424 119.035 114.554 0.095 0.000 2.867 399 T HA -0.008 4.343 4.350 0.001 0.000 0.297 399 T C -0.341 174.369 174.700 0.017 0.000 0.989 399 T CA -0.048 62.072 62.100 0.032 0.000 1.159 399 T CB -0.155 68.713 68.868 0.001 0.000 0.928 399 T HN 0.660 nan 8.240 nan 0.000 0.538 400 D N 2.879 123.282 120.400 0.005 0.000 2.927 400 D HA -0.113 4.528 4.640 0.001 0.000 0.236 400 D C -1.655 174.629 176.300 -0.027 0.000 1.163 400 D CA 0.006 53.998 54.000 -0.013 0.000 0.801 400 D CB -0.421 40.367 40.800 -0.021 0.000 0.975 400 D HN 0.431 nan 8.370 nan 0.000 0.413 401 P HA -0.132 nan 4.420 nan 0.000 0.226 401 P C 1.016 178.250 177.300 -0.109 0.000 1.153 401 P CA 0.893 63.957 63.100 -0.059 0.000 0.777 401 P CB 0.460 32.144 31.700 -0.027 0.000 0.794 402 E N -0.291 119.866 120.200 -0.072 0.000 2.502 402 E HA 0.077 4.428 4.350 0.001 0.000 0.194 402 E C 0.469 177.038 176.600 -0.052 0.000 1.062 402 E CA 0.151 56.513 56.400 -0.063 0.000 0.867 402 E CB 0.279 29.959 29.700 -0.033 0.000 0.888 402 E HN 0.181 nan 8.360 nan 0.000 0.510 403 V N 1.888 121.765 119.914 -0.062 0.000 2.481 403 V HA 0.125 4.245 4.120 0.001 0.000 0.286 403 V C -0.142 175.902 176.094 -0.084 0.000 1.042 403 V CA -0.695 61.579 62.300 -0.043 0.000 0.928 403 V CB 0.801 32.603 31.823 -0.036 0.000 0.986 403 V HN 0.051 nan 8.190 nan 0.000 0.462 404 F N 5.611 125.423 119.950 -0.230 0.000 2.462 404 F HA 0.343 4.871 4.527 0.001 0.000 0.360 404 F C 0.526 176.240 175.800 -0.142 0.000 1.134 404 F CA -0.194 57.611 58.000 -0.325 0.000 1.148 404 F CB 0.017 38.675 39.000 -0.569 0.000 1.147 404 F HN 0.392 nan 8.300 nan 0.000 0.550 405 K N 7.663 127.679 120.400 -0.641 0.000 2.389 405 K HA 0.064 4.384 4.320 0.001 0.000 0.261 405 K C 0.302 176.455 176.600 -0.746 0.000 1.014 405 K CA -0.678 55.292 56.287 -0.528 0.000 0.920 405 K CB 0.756 33.057 32.500 -0.333 0.000 1.149 405 K HN 0.796 nan 8.250 nan 0.000 0.444 406 Y N 2.288 122.138 120.300 -0.751 0.000 2.315 406 Y HA -0.204 4.346 4.550 0.001 0.000 0.288 406 Y C 1.069 176.849 175.900 -0.200 0.000 1.154 406 Y CA 1.334 59.105 58.100 -0.549 0.000 1.229 406 Y CB -0.261 38.119 38.460 -0.133 0.000 0.980 406 Y HN 0.467 nan 8.280 nan 0.000 0.540 407 N N 0.946 119.092 118.700 -0.923 0.000 2.279 407 N HA 0.031 4.772 4.740 0.001 0.000 0.226 407 N C 1.269 176.585 175.510 -0.324 0.000 1.126 407 N CA -0.036 52.646 53.050 -0.613 0.000 0.846 407 N CB -0.490 37.515 38.487 -0.803 0.000 1.050 407 N HN 0.471 nan 8.380 nan 0.000 0.502 408 R N -0.150 120.164 120.500 -0.311 0.000 2.152 408 R HA 0.036 4.377 4.340 0.001 0.000 0.232 408 R C -0.043 176.045 176.300 -0.353 0.000 1.117 408 R CA 1.120 57.011 56.100 -0.348 0.000 0.981 408 R CB -0.109 29.901 30.300 -0.484 0.000 0.870 408 R HN 0.184 nan 8.270 nan 0.000 0.451 409 F N 0.321 120.317 119.950 0.077 0.000 2.750 409 F HA 0.302 4.829 4.527 0.001 0.000 0.297 409 F C -0.329 175.533 175.800 0.102 0.000 1.138 409 F CA -0.298 57.813 58.000 0.186 0.000 1.346 409 F CB 0.557 39.679 39.000 0.204 0.000 0.965 409 F HN -0.155 nan 8.300 nan 0.000 0.514 410 L N 0.626 121.912 121.223 0.105 0.000 2.329 410 L HA 0.419 4.760 4.340 0.001 0.000 0.279 410 L C -0.149 176.715 176.870 -0.010 0.000 1.014 410 L CA -0.934 53.938 54.840 0.054 0.000 0.814 410 L CB 1.196 43.260 42.059 0.009 0.000 1.257 410 L HN 0.008 nan 8.230 nan 0.000 0.424 411 N N 3.048 121.749 118.700 0.001 0.000 2.467 411 N HA 0.160 4.901 4.740 0.001 0.000 0.262 411 N C -1.692 173.802 175.510 -0.026 0.000 1.234 411 N CA -1.376 51.656 53.050 -0.030 0.000 0.952 411 N CB 0.776 39.254 38.487 -0.016 0.000 1.158 411 N HN 0.312 nan 8.380 nan 0.000 0.463 412 P HA -0.132 nan 4.420 nan 0.000 0.217 412 P C 0.433 177.728 177.300 -0.009 0.000 1.148 412 P CA 1.236 64.319 63.100 -0.028 0.000 0.828 412 P CB 0.130 31.810 31.700 -0.033 0.000 0.783 413 D N -1.986 118.412 120.400 -0.002 0.000 2.349 413 D HA 0.074 4.714 4.640 0.001 0.000 0.224 413 D C 1.405 177.719 176.300 0.023 0.000 1.029 413 D CA 0.612 54.618 54.000 0.010 0.000 0.879 413 D CB -0.906 39.900 40.800 0.010 0.000 0.906 413 D HN 0.234 nan 8.370 nan 0.000 0.528 414 G N 0.226 109.041 108.800 0.025 0.000 2.176 414 G HA2 -0.296 3.665 3.960 0.001 0.000 0.253 414 G HA3 -0.296 3.665 3.960 0.001 0.000 0.253 414 G C 0.441 175.375 174.900 0.056 0.000 0.979 414 G CA 0.436 45.562 45.100 0.044 0.000 0.641 414 G HN 0.793 nan 8.290 nan 0.000 0.530 415 S N -0.281 115.448 115.700 0.048 0.000 2.600 415 S HA 0.505 4.976 4.470 0.001 0.000 0.265 415 S C 0.318 174.964 174.600 0.077 0.000 1.325 415 S CA 0.130 58.365 58.200 0.059 0.000 1.002 415 S CB 1.775 65.002 63.200 0.045 0.000 0.921 415 S HN 0.585 nan 8.310 nan 0.000 0.554 416 E N 0.627 120.887 120.200 0.100 0.000 2.415 416 E HA 0.026 4.376 4.350 0.001 0.000 0.263 416 E C -0.199 176.486 176.600 0.143 0.000 0.995 416 E CA -0.132 56.355 56.400 0.146 0.000 0.915 416 E CB 0.422 30.215 29.700 0.155 0.000 0.951 416 E HN 0.562 nan 8.360 nan 0.000 0.449 417 K N 4.338 124.850 120.400 0.186 0.000 2.297 417 K HA 0.070 4.390 4.320 0.001 0.000 0.286 417 K C 0.070 176.810 176.600 0.234 0.000 1.053 417 K CA 0.045 56.399 56.287 0.113 0.000 0.940 417 K CB 0.532 33.048 32.500 0.028 0.000 1.019 417 K HN 0.438 nan 8.250 nan 0.000 0.475 418 K N 2.380 122.816 120.400 0.060 0.000 2.477 418 K HA 0.122 4.443 4.320 0.001 0.000 0.208 418 K C -0.872 175.624 176.600 -0.173 0.000 1.117 418 K CA -0.160 56.193 56.287 0.109 0.000 1.039 418 K CB 0.888 33.489 32.500 0.169 0.000 0.937 418 K HN 0.545 nan 8.250 nan 0.000 0.570 419 D N 0.949 121.093 120.400 -0.426 0.000 2.454 419 D HA 0.240 4.880 4.640 0.001 0.000 0.225 419 D C -0.831 174.886 176.300 -0.972 0.000 1.081 419 D CA -0.004 53.676 54.000 -0.533 0.000 0.864 419 D CB 0.661 41.318 40.800 -0.239 0.000 1.040 419 D HN -0.108 nan 8.370 nan 0.000 0.517 420 F N 1.291 120.759 119.950 -0.804 0.000 2.577 420 F HA 0.468 4.995 4.527 0.001 0.000 0.318 420 F C -0.440 174.857 175.800 -0.838 0.000 1.065 420 F CA -0.897 56.697 58.000 -0.678 0.000 0.929 420 F CB 1.655 40.261 39.000 -0.656 0.000 1.237 420 F HN 0.131 nan 8.300 nan 0.000 0.468 421 Y N 0.569 120.856 120.300 -0.021 0.000 2.524 421 Y HA 0.580 5.131 4.550 0.001 0.000 0.347 421 Y C -0.583 175.306 175.900 -0.019 0.000 1.005 421 Y CA -1.190 56.905 58.100 -0.009 0.000 1.025 421 Y CB 2.496 40.935 38.460 -0.034 0.000 1.275 421 Y HN 0.392 nan 8.280 nan 0.000 0.460 422 K N 1.577 122.093 120.400 0.194 0.000 2.468 422 K HA 0.287 4.608 4.320 0.001 0.000 0.252 422 K C -1.157 175.625 176.600 0.303 0.000 0.932 422 K CA -0.466 55.921 56.287 0.167 0.000 0.794 422 K CB 1.153 33.653 32.500 0.001 0.000 1.241 422 K HN 0.832 nan 8.250 nan 0.000 0.428 423 D N 2.707 123.213 120.400 0.177 0.000 2.911 423 D HA -0.194 4.446 4.640 0.001 0.000 0.227 423 D C 0.578 176.926 176.300 0.080 0.000 1.164 423 D CA 1.540 55.606 54.000 0.109 0.000 0.782 423 D CB -1.184 39.670 40.800 0.090 0.000 1.094 423 D HN 1.098 nan 8.370 nan 0.000 0.425 424 G N -0.214 108.644 108.800 0.097 0.000 2.168 424 G HA2 -0.371 3.590 3.960 0.001 0.000 0.263 424 G HA3 -0.371 3.590 3.960 0.001 0.000 0.263 424 G C 0.199 175.192 174.900 0.156 0.000 0.977 424 G CA 1.008 46.138 45.100 0.049 0.000 0.659 424 G HN 0.481 nan 8.290 nan 0.000 0.533 425 K N 0.090 120.641 120.400 0.252 0.000 2.221 425 K HA 0.489 4.810 4.320 0.001 0.000 0.258 425 K C 0.507 177.312 176.600 0.340 0.000 0.944 425 K CA -0.928 55.515 56.287 0.260 0.000 0.823 425 K CB 1.679 34.222 32.500 0.072 0.000 1.113 425 K HN 0.196 nan 8.250 nan 0.000 0.431 426 R N 2.973 123.605 120.500 0.220 0.000 2.537 426 R HA 0.104 4.444 4.340 0.001 0.000 0.280 426 R C -0.640 175.653 176.300 -0.012 0.000 1.058 426 R CA -0.078 55.932 56.100 -0.151 0.000 1.057 426 R CB 0.309 30.527 30.300 -0.136 0.000 0.973 426 R HN 0.504 nan 8.270 nan 0.000 0.438 427 L N 5.013 126.189 121.223 -0.079 0.000 2.292 427 L HA 0.194 4.534 4.340 0.001 0.000 0.284 427 L C 1.512 178.480 176.870 0.163 0.000 1.065 427 L CA -0.107 54.769 54.840 0.059 0.000 0.806 427 L CB 1.554 43.637 42.059 0.040 0.000 1.175 427 L HN 0.707 nan 8.230 nan 0.000 0.431 428 K N 2.214 122.706 120.400 0.153 0.000 2.155 428 K HA 0.027 4.348 4.320 0.001 0.000 0.203 428 K C 0.077 176.766 176.600 0.147 0.000 1.052 428 K CA 0.824 57.210 56.287 0.166 0.000 0.948 428 K CB 0.352 32.937 32.500 0.141 0.000 0.728 428 K HN 0.577 nan 8.250 nan 0.000 0.448 429 N N 0.540 119.309 118.700 0.116 0.000 2.564 429 N HA 0.077 4.817 4.740 0.001 0.000 0.248 429 N C -0.630 174.915 175.510 0.057 0.000 0.986 429 N CA -0.262 52.813 53.050 0.042 0.000 0.921 429 N CB 1.302 39.864 38.487 0.126 0.000 1.136 429 N HN 0.244 nan 8.380 nan 0.000 0.509 430 Y N -0.175 120.153 120.300 0.047 0.000 2.452 430 Y HA 0.426 4.976 4.550 0.001 0.000 0.262 430 Y C -0.116 175.838 175.900 0.090 0.000 1.089 430 Y CA -0.587 57.512 58.100 -0.001 0.000 1.262 430 Y CB 0.530 38.932 38.460 -0.098 0.000 1.236 430 Y HN 0.169 nan 8.280 nan 0.000 0.512 431 N N 1.070 119.654 118.700 -0.194 0.000 2.519 431 N HA 0.347 5.088 4.740 0.001 0.000 0.291 431 N C -1.353 174.082 175.510 -0.125 0.000 1.107 431 N CA -0.350 52.653 53.050 -0.079 0.000 0.904 431 N CB 1.400 39.845 38.487 -0.070 0.000 1.500 431 N HN 0.312 nan 8.380 nan 0.000 0.510 432 M N 3.983 123.548 119.600 -0.059 0.000 2.963 432 M HA 0.289 4.769 4.480 0.001 0.000 0.350 432 M C -1.607 174.642 176.300 -0.084 0.000 1.253 432 M CA -1.246 54.042 55.300 -0.020 0.000 0.856 432 M CB 1.237 33.857 32.600 0.033 0.000 1.356 432 M HN 0.317 nan 8.290 nan 0.000 0.510 433 P HA -0.087 nan 4.420 nan 0.000 0.226 433 P C 0.236 177.219 177.300 -0.528 0.000 1.153 433 P CA 1.283 64.106 63.100 -0.461 0.000 0.777 433 P CB -0.040 31.216 31.700 -0.740 0.000 0.794 434 W N 0.424 121.674 121.300 -0.083 0.000 3.316 434 W HA 0.448 5.108 4.660 0.001 0.000 0.327 434 W C 1.223 177.628 176.519 -0.189 0.000 1.232 434 W CA 0.510 57.744 57.345 -0.184 0.000 1.805 434 W CB -0.203 29.100 29.460 -0.261 0.000 1.090 434 W HN 0.058 nan 8.180 nan 0.000 0.654 435 G N 1.464 110.315 108.800 0.085 0.000 2.642 435 G HA2 0.191 4.152 3.960 0.001 0.000 0.231 435 G HA3 0.191 4.152 3.960 0.001 0.000 0.231 435 G C -0.478 174.523 174.900 0.168 0.000 1.338 435 G CA -0.259 44.891 45.100 0.084 0.000 0.883 435 G HN 0.870 nan 8.290 nan 0.000 0.570 436 A N -2.169 120.685 122.820 0.057 0.000 2.586 436 A HA 1.088 5.409 4.320 0.001 0.000 0.291 436 A C 1.271 178.613 177.584 -0.403 0.000 1.062 436 A CA 1.318 53.305 52.037 -0.083 0.000 0.666 436 A CB 0.672 19.615 19.000 -0.095 0.000 1.281 436 A HN 3.182 nan 8.150 nan 0.000 0.421 437 G N 0.401 108.661 108.800 -0.901 0.000 2.574 437 G HA2 -0.307 3.653 3.960 0.001 0.000 0.286 437 G HA3 -0.307 3.653 3.960 0.001 0.000 0.286 437 G C 0.676 174.773 174.900 -1.337 0.000 1.212 437 G CA 1.378 45.243 45.100 -2.058 0.000 0.979 437 G HN 1.641 nan 8.290 nan 0.000 0.557 438 H N 0.896 119.418 119.070 -0.914 0.000 2.421 438 H HA 0.038 4.595 4.556 0.001 0.000 0.298 438 H C 1.092 176.195 175.328 -0.375 0.000 1.087 438 H CA 1.456 57.111 56.048 -0.655 0.000 1.330 438 H CB 0.044 29.058 29.762 -1.248 0.000 1.388 438 H HN 0.228 nan 8.280 nan 0.000 0.526 439 N N 0.787 119.398 118.700 -0.149 0.000 3.091 439 N HA 0.086 4.826 4.740 0.001 0.000 0.255 439 N C -1.186 174.357 175.510 0.055 0.000 1.204 439 N CA -0.141 52.922 53.050 0.022 0.000 0.990 439 N CB 0.342 38.888 38.487 0.100 0.000 1.260 439 N HN 0.455 nan 8.380 nan 0.000 0.502 440 H N -0.836 118.221 119.070 -0.021 0.000 2.622 440 H HA 0.361 4.917 4.556 0.001 0.000 0.363 440 H C -0.418 174.961 175.328 0.086 0.000 1.151 440 H CA -0.678 55.383 56.048 0.023 0.000 1.184 440 H CB 1.285 31.033 29.762 -0.023 0.000 1.643 440 H HN 0.309 nan 8.280 nan 0.000 0.531 441 C N 6.693 125.680 119.300 -0.521 0.000 2.648 441 C HA 0.080 4.541 4.460 0.001 0.000 0.406 441 C C 1.593 176.515 174.990 -0.113 0.000 1.406 441 C CA -0.150 58.741 59.018 -0.211 0.000 1.610 441 C CB -2.025 25.702 27.740 -0.021 0.000 2.451 441 C HN 0.848 nan 8.230 nan 0.000 0.608 442 L N 5.027 126.270 121.223 0.033 0.000 2.492 442 L HA 0.153 4.493 4.340 0.001 0.000 0.223 442 L C 2.250 179.135 176.870 0.025 0.000 1.132 442 L CA 1.107 55.988 54.840 0.068 0.000 0.850 442 L CB -0.389 41.730 42.059 0.099 0.000 0.966 442 L HN 0.929 nan 8.230 nan 0.000 0.454 443 G N -0.727 108.082 108.800 0.014 0.000 3.434 443 G HA2 0.007 3.968 3.960 0.001 0.000 0.258 443 G HA3 0.007 3.968 3.960 0.001 0.000 0.258 443 G C 1.419 176.295 174.900 -0.040 0.000 1.128 443 G CA -0.392 44.724 45.100 0.028 0.000 0.792 443 G HN 0.142 nan 8.290 nan 0.000 0.539 444 R N 0.501 120.880 120.500 -0.202 0.000 2.094 444 R HA -0.139 4.201 4.340 0.001 0.000 0.239 444 R C 2.349 178.374 176.300 -0.458 0.000 1.137 444 R CA 2.199 57.940 56.100 -0.599 0.000 0.943 444 R CB -0.285 29.503 30.300 -0.854 0.000 0.850 444 R HN 0.259 nan 8.270 nan 0.000 0.433 445 S N -0.378 115.171 115.700 -0.252 0.000 2.382 445 S HA -0.173 4.298 4.470 0.001 0.000 0.228 445 S C 1.477 176.046 174.600 -0.051 0.000 1.027 445 S CA 1.220 59.329 58.200 -0.151 0.000 0.991 445 S CB -0.481 62.661 63.200 -0.096 0.000 0.823 445 S HN 0.484 nan 8.310 nan 0.000 0.469 446 Y N 2.546 122.772 120.300 -0.124 0.000 2.181 446 Y HA -0.095 4.456 4.550 0.001 0.000 0.288 446 Y C 2.350 178.218 175.900 -0.052 0.000 1.146 446 Y CA 0.881 58.930 58.100 -0.086 0.000 1.164 446 Y CB -0.970 37.427 38.460 -0.105 0.000 0.982 446 Y HN 0.188 nan 8.280 nan 0.000 0.515 447 A N -0.380 122.292 122.820 -0.246 0.000 1.877 447 A HA -0.147 4.174 4.320 0.001 0.000 0.216 447 A C 2.393 179.928 177.584 -0.083 0.000 1.186 447 A CA 2.174 54.085 52.037 -0.210 0.000 0.620 447 A CB -1.362 17.691 19.000 0.088 0.000 0.822 447 A HN 0.336 nan 8.150 nan 0.000 0.443 448 V N 0.780 120.668 119.914 -0.043 0.000 2.295 448 V HA -0.329 3.791 4.120 0.001 0.000 0.246 448 V C 2.217 178.324 176.094 0.021 0.000 1.049 448 V CA 2.333 64.654 62.300 0.036 0.000 1.024 448 V CB -1.229 30.580 31.823 -0.023 0.000 0.648 448 V HN 0.654 nan 8.190 nan 0.000 0.447 449 N N -0.040 118.644 118.700 -0.027 0.000 2.061 449 N HA -0.197 4.543 4.740 0.001 0.000 0.193 449 N C 2.008 177.516 175.510 -0.003 0.000 1.030 449 N CA 1.693 54.742 53.050 -0.002 0.000 0.856 449 N CB -0.199 38.293 38.487 0.008 0.000 1.023 449 N HN 0.376 nan 8.380 nan 0.000 0.424 450 S N 0.817 116.443 115.700 -0.123 0.000 2.356 450 S HA -0.045 4.425 4.470 0.001 0.000 0.223 450 S C 2.014 176.628 174.600 0.023 0.000 1.032 450 S CA 0.777 58.903 58.200 -0.123 0.000 1.005 450 S CB -0.192 62.769 63.200 -0.399 0.000 0.867 450 S HN 0.246 nan 8.310 nan 0.000 0.449 451 I N 1.489 122.081 120.570 0.035 0.000 2.226 451 I HA -0.208 3.963 4.170 0.001 0.000 0.245 451 I C 2.381 178.643 176.117 0.241 0.000 1.100 451 I CA 1.185 62.572 61.300 0.144 0.000 1.374 451 I CB -0.278 37.802 38.000 0.133 0.000 1.057 451 I HN 0.203 nan 8.210 nan 0.000 0.413 452 K N 0.427 120.957 120.400 0.217 0.000 2.097 452 K HA -0.211 4.110 4.320 0.001 0.000 0.206 452 K C 2.155 179.006 176.600 0.419 0.000 1.049 452 K CA 1.359 57.832 56.287 0.310 0.000 0.933 452 K CB -0.223 32.452 32.500 0.291 0.000 0.717 452 K HN 0.436 nan 8.250 nan 0.000 0.442 453 Q N -0.109 119.860 119.800 0.281 0.000 2.084 453 Q HA -0.175 4.165 4.340 0.001 0.000 0.202 453 Q C 1.985 178.194 176.000 0.348 0.000 0.978 453 Q CA 1.511 57.488 55.803 0.290 0.000 0.844 453 Q CB -0.208 28.683 28.738 0.254 0.000 0.898 453 Q HN 0.238 nan 8.270 nan 0.000 0.426 454 F N 0.653 120.684 119.950 0.134 0.000 2.102 454 F HA -0.205 4.322 4.527 0.001 0.000 0.298 454 F C 1.962 177.837 175.800 0.126 0.000 1.105 454 F CA 1.067 59.109 58.000 0.070 0.000 1.239 454 F CB -0.297 38.712 39.000 0.016 0.000 0.991 454 F HN -0.195 nan 8.300 nan 0.000 0.474 455 V N -0.135 119.855 119.914 0.128 0.000 2.343 455 V HA -0.304 3.816 4.120 0.001 0.000 0.247 455 V C 2.295 178.400 176.094 0.018 0.000 1.051 455 V CA 1.947 64.252 62.300 0.007 0.000 1.036 455 V CB -1.030 30.855 31.823 0.102 0.000 0.654 455 V HN 0.279 nan 8.190 nan 0.000 0.451 456 F N -0.028 119.944 119.950 0.037 0.000 2.065 456 F HA -0.223 4.304 4.527 0.001 0.000 0.298 456 F C 2.187 178.035 175.800 0.081 0.000 1.112 456 F CA 1.952 60.001 58.000 0.082 0.000 1.212 456 F CB -0.478 38.604 39.000 0.138 0.000 0.975 456 F HN 0.034 nan 8.300 nan 0.000 0.476 457 L N -1.035 120.326 121.223 0.230 0.000 2.046 457 L HA -0.226 4.114 4.340 0.001 0.000 0.208 457 L C 2.300 179.155 176.870 -0.025 0.000 1.077 457 L CA 0.762 55.636 54.840 0.057 0.000 0.747 457 L CB -0.760 41.217 42.059 -0.136 0.000 0.896 457 L HN -0.022 nan 8.230 nan 0.000 0.432 458 V N -0.448 119.347 119.914 -0.199 0.000 2.295 458 V HA -0.268 3.852 4.120 0.001 0.000 0.246 458 V C 2.282 178.350 176.094 -0.044 0.000 1.049 458 V CA 1.420 63.608 62.300 -0.186 0.000 1.024 458 V CB -0.325 31.288 31.823 -0.349 0.000 0.648 458 V HN 0.258 nan 8.190 nan 0.000 0.447 459 L N -0.625 120.576 121.223 -0.038 0.000 2.240 459 L HA -0.004 4.336 4.340 0.001 0.000 0.211 459 L C 2.107 178.989 176.870 0.020 0.000 1.106 459 L CA 1.459 56.286 54.840 -0.021 0.000 0.793 459 L CB -0.508 41.510 42.059 -0.068 0.000 0.927 459 L HN 0.167 nan 8.230 nan 0.000 0.446 460 V N -2.037 117.932 119.914 0.092 0.000 2.685 460 V HA -0.080 4.041 4.120 0.001 0.000 0.244 460 V C 2.055 178.174 176.094 0.042 0.000 1.054 460 V CA 0.902 63.260 62.300 0.098 0.000 1.076 460 V CB -0.418 31.518 31.823 0.187 0.000 0.725 460 V HN 0.474 nan 8.190 nan 0.000 0.467 461 H N -0.817 118.273 119.070 0.034 0.000 2.595 461 H HA 0.386 4.942 4.556 0.001 0.000 0.265 461 H C 0.330 175.659 175.328 0.002 0.000 0.953 461 H CA 0.232 56.294 56.048 0.022 0.000 1.197 461 H CB 0.873 30.645 29.762 0.017 0.000 1.438 461 H HN 0.286 nan 8.280 nan 0.000 0.531 462 L N 0.834 122.124 121.223 0.113 0.000 2.323 462 L HA 0.331 4.672 4.340 0.001 0.000 0.265 462 L C -0.583 176.315 176.870 0.048 0.000 1.012 462 L CA -1.067 53.824 54.840 0.084 0.000 0.820 462 L CB 2.181 44.318 42.059 0.129 0.000 1.334 462 L HN -0.105 nan 8.230 nan 0.000 0.427 463 D N 2.195 122.609 120.400 0.023 0.000 2.233 463 D HA 0.538 5.179 4.640 0.001 0.000 0.240 463 D C -1.030 175.391 176.300 0.202 0.000 1.074 463 D CA -0.130 53.918 54.000 0.080 0.000 0.838 463 D CB 2.493 43.309 40.800 0.026 0.000 1.124 463 D HN 0.085 nan 8.370 nan 0.000 0.475 464 L N 2.038 123.363 121.223 0.170 0.000 2.409 464 L HA 0.418 4.759 4.340 0.001 0.000 0.272 464 L C -0.946 175.980 176.870 0.093 0.000 0.980 464 L CA -0.240 54.673 54.840 0.122 0.000 0.826 464 L CB 1.671 43.704 42.059 -0.044 0.000 1.268 464 L HN 0.254 nan 8.230 nan 0.000 0.407 465 E N 4.450 124.698 120.200 0.079 0.000 2.314 465 E HA 0.453 4.804 4.350 0.001 0.000 0.272 465 E C -1.287 175.289 176.600 -0.041 0.000 0.884 465 E CA -0.901 55.497 56.400 -0.002 0.000 0.753 465 E CB 2.309 31.973 29.700 -0.060 0.000 1.213 465 E HN 0.519 nan 8.360 nan 0.000 0.432 466 L N 3.328 124.523 121.223 -0.046 0.000 2.485 466 L HA 0.022 4.363 4.340 0.001 0.000 0.275 466 L C 1.419 178.249 176.870 -0.067 0.000 1.207 466 L CA -0.311 54.503 54.840 -0.045 0.000 0.855 466 L CB 0.221 42.259 42.059 -0.034 0.000 1.114 466 L HN 0.621 nan 8.230 nan 0.000 0.485 467 I N 1.244 121.780 120.570 -0.058 0.000 2.226 467 I HA -0.178 3.993 4.170 0.001 0.000 0.245 467 I C 1.033 177.111 176.117 -0.065 0.000 1.100 467 I CA 1.414 62.668 61.300 -0.076 0.000 1.374 467 I CB -0.744 37.224 38.000 -0.052 0.000 1.057 467 I HN 0.737 nan 8.210 nan 0.000 0.413 468 N N 0.609 119.285 118.700 -0.039 0.000 2.483 468 N HA 0.341 5.082 4.740 0.001 0.000 0.267 468 N C 0.745 176.243 175.510 -0.020 0.000 0.998 468 N CA 0.048 53.080 53.050 -0.029 0.000 0.918 468 N CB 1.789 40.266 38.487 -0.017 0.000 1.215 468 N HN 0.024 nan 8.380 nan 0.000 0.500 469 A N 2.805 125.611 122.820 -0.024 0.000 2.125 469 A HA -0.103 4.218 4.320 0.001 0.000 0.219 469 A C 0.983 178.566 177.584 -0.002 0.000 1.156 469 A CA 1.119 53.146 52.037 -0.016 0.000 0.671 469 A CB 0.008 18.997 19.000 -0.019 0.000 0.794 469 A HN 0.745 nan 8.150 nan 0.000 0.459 470 D N -0.588 119.813 120.400 0.001 0.000 2.342 470 D HA 0.143 4.783 4.640 0.001 0.000 0.221 470 D C 0.248 176.561 176.300 0.021 0.000 1.101 470 D CA -0.065 53.942 54.000 0.012 0.000 0.837 470 D CB 0.224 41.030 40.800 0.009 0.000 0.938 470 D HN 0.169 nan 8.370 nan 0.000 0.508 471 V N 1.433 121.360 119.914 0.020 0.000 2.694 471 V HA -0.091 4.030 4.120 0.001 0.000 0.306 471 V C 0.534 176.660 176.094 0.053 0.000 1.054 471 V CA 0.128 62.451 62.300 0.037 0.000 1.161 471 V CB 0.687 32.532 31.823 0.038 0.000 0.916 471 V HN 0.041 nan 8.190 nan 0.000 0.490 472 E N 5.305 125.549 120.200 0.074 0.000 2.354 472 E HA 0.259 4.610 4.350 0.001 0.000 0.269 472 E C -0.130 176.530 176.600 0.100 0.000 1.036 472 E CA -0.299 56.152 56.400 0.085 0.000 0.876 472 E CB 0.981 30.738 29.700 0.094 0.000 1.009 472 E HN 0.608 nan 8.360 nan 0.000 0.416 473 I N 5.094 125.721 120.570 0.094 0.000 2.587 473 I HA 0.009 4.180 4.170 0.001 0.000 0.284 473 I C -1.911 174.276 176.117 0.117 0.000 1.134 473 I CA -1.572 59.796 61.300 0.113 0.000 1.410 473 I CB -0.027 38.066 38.000 0.156 0.000 1.392 473 I HN 0.207 nan 8.210 nan 0.000 0.545 474 P HA 0.074 nan 4.420 nan 0.000 0.269 474 P C -0.286 177.043 177.300 0.049 0.000 1.215 474 P CA -0.273 62.807 63.100 -0.032 0.000 0.780 474 P CB 0.497 32.030 31.700 -0.279 0.000 0.898 475 E N 0.826 121.014 120.200 -0.020 0.000 2.397 475 E HA 0.180 4.531 4.350 0.001 0.000 0.254 475 E C 0.051 176.692 176.600 0.069 0.000 1.231 475 E CA 0.000 56.363 56.400 -0.062 0.000 0.954 475 E CB 0.049 29.738 29.700 -0.018 0.000 1.024 475 E HN 0.261 nan 8.360 nan 0.000 0.481 476 F N 0.804 120.802 119.950 0.081 0.000 2.410 476 F HA 0.024 4.551 4.527 0.001 0.000 0.334 476 F C 1.145 176.930 175.800 -0.024 0.000 1.134 476 F CA -0.854 57.163 58.000 0.028 0.000 1.227 476 F CB 0.074 38.983 39.000 -0.151 0.000 1.194 476 F HN 0.156 nan 8.300 nan 0.000 0.571 477 D N 2.733 123.241 120.400 0.180 0.000 2.348 477 D HA 0.050 4.690 4.640 0.001 0.000 0.259 477 D C 0.969 177.238 176.300 -0.052 0.000 1.296 477 D CA 0.288 54.316 54.000 0.047 0.000 0.931 477 D CB 0.281 41.089 40.800 0.013 0.000 1.067 477 D HN 0.494 nan 8.370 nan 0.000 0.503 478 L N 2.842 124.055 121.223 -0.017 0.000 2.362 478 L HA -0.146 4.195 4.340 0.001 0.000 0.219 478 L C 2.366 179.208 176.870 -0.047 0.000 1.134 478 L CA 0.917 55.717 54.840 -0.068 0.000 0.807 478 L CB -0.508 41.628 42.059 0.129 0.000 0.927 478 L HN 0.398 nan 8.230 nan 0.000 0.447 479 S N -0.682 115.012 115.700 -0.009 0.000 2.474 479 S HA -0.087 4.383 4.470 0.001 0.000 0.235 479 S C 2.007 176.660 174.600 0.087 0.000 0.997 479 S CA 0.313 58.541 58.200 0.048 0.000 0.949 479 S CB -0.189 63.035 63.200 0.039 0.000 0.766 479 S HN 0.355 nan 8.310 nan 0.000 0.517 480 R N -0.064 120.413 120.500 -0.038 0.000 2.236 480 R HA 0.186 4.527 4.340 0.001 0.000 0.208 480 R C -0.328 175.967 176.300 -0.009 0.000 1.036 480 R CA 0.068 56.176 56.100 0.014 0.000 1.001 480 R CB -0.657 29.556 30.300 -0.145 0.000 0.896 480 R HN 0.478 nan 8.270 nan 0.000 0.464 481 Y N 0.622 120.831 120.300 -0.152 0.000 2.810 481 Y HA 0.046 4.597 4.550 0.001 0.000 0.332 481 Y C 1.803 177.239 175.900 -0.774 0.000 1.243 481 Y CA 1.528 59.400 58.100 -0.379 0.000 1.537 481 Y CB 0.100 38.373 38.460 -0.311 0.000 1.265 481 Y HN 0.432 nan 8.280 nan 0.000 0.572 482 G N 1.649 109.900 108.800 -0.915 0.000 2.284 482 G HA2 -0.300 3.661 3.960 0.001 0.000 0.216 482 G HA3 -0.300 3.661 3.960 0.001 0.000 0.216 482 G C 0.861 175.235 174.900 -0.877 0.000 1.009 482 G CA 0.220 44.239 45.100 -1.802 0.000 0.625 482 G HN 0.566 nan 8.290 nan 0.000 0.501 483 F N 1.200 120.995 119.950 -0.258 0.000 2.387 483 F HA 0.450 4.978 4.527 0.001 0.000 0.294 483 F C 2.091 177.905 175.800 0.023 0.000 1.093 483 F CA 1.972 59.986 58.000 0.023 0.000 1.420 483 F CB 0.459 39.566 39.000 0.179 0.000 1.086 483 F HN 0.749 nan 8.300 nan 0.000 0.531 484 G N -0.525 108.326 108.800 0.084 0.000 2.451 484 G HA2 0.056 4.017 3.960 0.001 0.000 0.083 484 G HA3 0.056 4.017 3.960 0.001 0.000 0.083 484 G C -1.390 173.459 174.900 -0.086 0.000 1.107 484 G CA -0.960 44.133 45.100 -0.013 0.000 1.117 484 G HN -0.192 nan 8.290 nan 0.000 0.454 485 L N 2.189 123.350 121.223 -0.104 0.000 2.499 485 L HA 0.290 4.631 4.340 0.001 0.000 0.273 485 L C 0.987 177.785 176.870 -0.119 0.000 1.195 485 L CA 0.156 54.929 54.840 -0.111 0.000 0.882 485 L CB 0.665 42.690 42.059 -0.057 0.000 1.133 485 L HN 0.462 nan 8.230 nan 0.000 0.483 486 M N 3.663 123.104 119.600 -0.265 0.000 2.232 486 M HA 0.186 4.667 4.480 0.001 0.000 0.321 486 M C 0.106 176.483 176.300 0.127 0.000 1.101 486 M CA 0.310 55.375 55.300 -0.390 0.000 1.181 486 M CB 0.452 32.273 32.600 -1.298 0.000 1.432 486 M HN 0.491 nan 8.290 nan 0.000 0.457 487 Q N 1.832 121.701 119.800 0.116 0.000 2.413 487 Q HA 0.543 4.883 4.340 0.001 0.000 0.276 487 Q C -2.332 173.847 176.000 0.299 0.000 1.099 487 Q CA -1.841 54.079 55.803 0.195 0.000 0.814 487 Q CB 2.468 31.211 28.738 0.009 0.000 1.379 487 Q HN 0.374 nan 8.270 nan 0.000 0.436 488 P HA -0.024 nan 4.420 nan 0.000 0.277 488 P C -0.264 177.036 177.300 0.001 0.000 1.240 488 P CA 0.002 63.188 63.100 0.143 0.000 0.798 488 P CB 0.771 32.357 31.700 -0.190 0.000 0.979 489 E N 1.884 122.071 120.200 -0.020 0.000 2.153 489 E HA -0.187 4.163 4.350 0.001 0.000 0.194 489 E C -0.009 176.583 176.600 -0.013 0.000 0.988 489 E CA 1.106 57.490 56.400 -0.027 0.000 0.811 489 E CB -0.698 29.003 29.700 0.001 0.000 0.746 489 E HN 0.716 nan 8.360 nan 0.000 0.466 490 H N -2.229 116.852 119.070 0.019 0.000 3.017 490 H HA 0.458 5.015 4.556 0.001 0.000 0.346 490 H C -1.346 173.952 175.328 -0.050 0.000 1.286 490 H CA -1.243 54.795 56.048 -0.016 0.000 1.120 490 H CB 0.784 30.549 29.762 0.006 0.000 1.860 490 H HN -0.177 nan 8.280 nan 0.000 0.542 491 D N 0.054 120.518 120.400 0.106 0.000 2.383 491 D HA 0.307 4.947 4.640 0.001 0.000 0.248 491 D C -0.445 175.949 176.300 0.157 0.000 1.170 491 D CA -0.397 53.609 54.000 0.010 0.000 0.977 491 D CB 1.594 42.379 40.800 -0.024 0.000 1.120 491 D HN 0.361 nan 8.370 nan 0.000 0.481 492 V N 3.455 123.460 119.914 0.150 0.000 2.357 492 V HA 0.289 4.409 4.120 0.001 0.000 0.284 492 V C -2.149 174.011 176.094 0.110 0.000 1.018 492 V CA -1.642 60.752 62.300 0.157 0.000 0.841 492 V CB 1.431 33.353 31.823 0.165 0.000 0.991 492 V HN 0.470 nan 8.190 nan 0.000 0.437 493 P HA 0.202 nan 4.420 nan 0.000 0.267 493 P C -0.489 176.833 177.300 0.037 0.000 1.209 493 P CA 0.320 63.453 63.100 0.055 0.000 0.763 493 P CB 0.756 32.474 31.700 0.031 0.000 0.816 494 V N 1.524 121.465 119.914 0.044 0.000 3.158 494 V HA 0.838 4.958 4.120 0.001 0.000 0.311 494 V C -0.559 175.566 176.094 0.053 0.000 1.181 494 V CA -1.347 60.963 62.300 0.017 0.000 1.054 494 V CB 2.464 34.273 31.823 -0.023 0.000 1.085 494 V HN 0.558 nan 8.190 nan 0.000 0.446 495 R N 1.036 121.569 120.500 0.056 0.000 2.686 495 R HA 0.807 5.148 4.340 0.001 0.000 0.283 495 R C -1.571 174.963 176.300 0.390 0.000 0.978 495 R CA -0.704 55.498 56.100 0.170 0.000 0.897 495 R CB 1.851 32.149 30.300 -0.002 0.000 1.192 495 R HN 1.095 nan 8.270 nan 0.000 0.457 496 Y N -0.174 120.331 120.300 0.342 0.000 2.581 496 Y HA 0.736 5.287 4.550 0.001 0.000 0.345 496 Y C -1.272 174.723 175.900 0.159 0.000 1.036 496 Y CA -1.293 56.967 58.100 0.267 0.000 1.042 496 Y CB 1.938 40.408 38.460 0.018 0.000 1.289 496 Y HN 1.008 nan 8.280 nan 0.000 0.471 497 R N 2.252 122.641 120.500 -0.185 0.000 2.710 497 R HA 0.616 4.956 4.340 0.001 0.000 0.270 497 R C -1.852 174.348 176.300 -0.167 0.000 1.021 497 R CA -1.006 54.820 56.100 -0.457 0.000 0.889 497 R CB 1.507 31.150 30.300 -1.094 0.000 1.243 497 R HN 0.799 nan 8.270 nan 0.000 0.464 498 I N 1.947 122.447 120.570 -0.117 0.000 2.683 498 I HA 0.054 4.224 4.170 0.001 0.000 0.286 498 I C 0.745 176.781 176.117 -0.135 0.000 1.175 498 I CA -0.223 61.046 61.300 -0.053 0.000 1.429 498 I CB 0.369 38.351 38.000 -0.030 0.000 1.371 498 I HN 0.551 nan 8.210 nan 0.000 0.569 499 R N 8.220 128.675 120.500 -0.075 0.000 2.488 499 R HA 0.096 4.437 4.340 0.001 0.000 0.317 499 R C -2.379 173.878 176.300 -0.072 0.000 0.941 499 R CA -0.665 55.388 56.100 -0.078 0.000 1.076 499 R CB 0.020 30.297 30.300 -0.038 0.000 0.917 499 R HN 0.257 nan 8.270 nan 0.000 0.407 500 P HA 0.105 nan 4.420 nan 0.000 0.275 500 P C -0.702 176.649 177.300 0.084 0.000 1.228 500 P CA 0.035 63.126 63.100 -0.015 0.000 0.786 500 P CB 0.511 32.238 31.700 0.045 0.000 0.927 501 H N 0.000 119.045 119.070 -0.041 0.000 2.539 501 H HA 0.000 4.557 4.556 0.001 0.000 0.296 501 H CA 0.000 56.032 56.048 -0.026 0.000 1.023 501 H CB 0.000 29.750 29.762 -0.021 0.000 1.292 501 H HN 0.000 nan 8.280 nan 0.000 0.496