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 1gyr_1_B DATA FIRST_RESID 23 DATA SEQUENCE MITAQAVLYT QHGEPKDVLF TQSFEIDDDN LAPNEVIVKT LGSPVNPSDI DATA SEQUENCE NQIQGVNPSK PAKTTGFGTT EPAAPCGNEG LFEVIKVGSN VSSLEAGDWV DATA SEQUENCE IPSHVNFGTW RTHALGNDDD FIKLPNPAQS KANGKPNGLT INQGATISVN DATA SEQUENCE PLTAYLMLTH YVKLTPGKDW FIQNGGTSAV GKYASQIGKL LNFNSISVIR DATA SEQUENCE DRPNLDEVVA SLKELGATQV ITEDQNNSRE FGPTIKEWIK QSGGEAKLAL DATA SEQUENCE NCVGGKSSTG IARKLNNNGL MLTYGGMSFQ PVTIPTSLYI FKNFTSAGFW DATA SEQUENCE VTELLKNNKE LKTSTLNQII AWYEEGKLTD AKSIETLYDG TKPLHELYQD DATA SEQUENCE GVANSKDGKQ LITY 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 M HA 0.000 nan 4.480 nan 0.000 0.227 23 M C 0.000 176.260 176.300 -0.066 0.000 1.140 23 M CA 0.000 55.277 55.300 -0.038 0.000 0.988 23 M CB 0.000 32.586 32.600 -0.024 0.000 1.302 24 I N 1.825 122.334 120.570 -0.103 0.000 2.569 24 I HA 0.418 4.588 4.170 0.000 0.000 0.290 24 I C -0.622 175.379 176.117 -0.194 0.000 1.088 24 I CA -0.749 60.445 61.300 -0.177 0.000 1.047 24 I CB 2.591 40.398 38.000 -0.321 0.000 1.237 24 I HN 0.550 nan 8.210 nan 0.000 0.421 25 T N 5.382 119.846 114.554 -0.151 0.000 2.729 25 T HA 0.597 4.947 4.350 0.000 0.000 0.296 25 T C 0.104 174.704 174.700 -0.167 0.000 0.928 25 T CA -0.297 61.717 62.100 -0.142 0.000 1.045 25 T CB 0.873 69.711 68.868 -0.050 0.000 0.902 25 T HN 0.658 nan 8.240 nan 0.000 0.500 26 A N 3.810 126.402 122.820 -0.381 0.000 2.313 26 A HA 0.798 5.118 4.320 0.000 0.000 0.323 26 A C -0.663 176.660 177.584 -0.435 0.000 1.133 26 A CA -0.843 50.985 52.037 -0.349 0.000 0.847 26 A CB 1.079 19.735 19.000 -0.573 0.000 1.308 26 A HN 0.567 nan 8.150 nan 0.000 0.475 27 Q N -0.200 119.491 119.800 -0.181 0.000 2.340 27 Q HA 0.660 5.000 4.340 0.000 0.000 0.268 27 Q C -0.872 175.186 176.000 0.097 0.000 1.031 27 Q CA -0.389 55.398 55.803 -0.026 0.000 0.804 27 Q CB 1.924 30.641 28.738 -0.035 0.000 1.286 27 Q HN 0.921 nan 8.270 nan 0.000 0.448 28 A N 1.906 124.827 122.820 0.168 0.000 2.371 28 A HA 0.689 5.009 4.320 0.000 0.000 0.311 28 A C -0.678 176.788 177.584 -0.198 0.000 1.068 28 A CA -0.627 51.416 52.037 0.010 0.000 0.744 28 A CB 1.373 20.256 19.000 -0.195 0.000 1.239 28 A HN 0.410 nan 8.150 nan 0.000 0.435 29 V N 3.806 123.602 119.914 -0.197 0.000 2.385 29 V HA 0.417 4.537 4.120 0.000 0.000 0.269 29 V C -0.131 175.738 176.094 -0.375 0.000 1.043 29 V CA 0.218 62.400 62.300 -0.196 0.000 0.906 29 V CB 0.085 31.914 31.823 0.011 0.000 0.995 29 V HN 0.715 nan 8.190 nan 0.000 0.467 30 L N 5.612 126.443 121.223 -0.653 0.000 2.309 30 L HA 0.753 5.093 4.340 0.000 0.000 0.261 30 L C -1.002 175.602 176.870 -0.443 0.000 1.021 30 L CA -1.046 53.356 54.840 -0.729 0.000 0.823 30 L CB 2.197 43.676 42.059 -0.967 0.000 1.366 30 L HN 0.701 nan 8.230 nan 0.000 0.423 31 Y N -2.874 117.334 120.300 -0.154 0.000 2.492 31 Y HA 0.514 5.064 4.550 0.000 0.000 0.346 31 Y C 0.526 176.500 175.900 0.124 0.000 0.997 31 Y CA -0.675 57.506 58.100 0.136 0.000 1.025 31 Y CB 1.405 39.888 38.460 0.038 0.000 1.263 31 Y HN 0.578 nan 8.280 nan 0.000 0.454 32 T N -1.474 113.225 114.554 0.242 0.000 3.051 32 T HA 0.126 4.476 4.350 0.000 0.000 0.255 32 T C 0.127 174.866 174.700 0.065 0.000 1.085 32 T CA 0.930 63.069 62.100 0.064 0.000 1.109 32 T CB -0.092 68.789 68.868 0.022 0.000 0.921 32 T HN 0.833 nan 8.240 nan 0.000 0.488 33 Q N -0.116 119.791 119.800 0.178 0.000 2.379 33 Q HA 0.354 4.695 4.340 0.000 0.000 0.278 33 Q C -1.382 174.691 176.000 0.122 0.000 1.068 33 Q CA -1.089 54.782 55.803 0.113 0.000 0.816 33 Q CB 1.008 29.785 28.738 0.065 0.000 1.387 33 Q HN 0.241 nan 8.270 nan 0.000 0.413 34 H N 0.384 119.533 119.070 0.131 0.000 2.871 34 H HA 0.522 5.079 4.556 0.000 0.000 0.355 34 H C 0.481 175.769 175.328 -0.066 0.000 1.092 34 H CA 1.667 57.687 56.048 -0.047 0.000 1.420 34 H CB 1.274 31.023 29.762 -0.021 0.000 1.400 34 H HN 0.936 nan 8.280 nan 0.000 0.604 35 G N 1.622 110.428 108.800 0.009 0.000 2.333 35 G HA2 -0.027 3.933 3.960 0.000 0.000 0.288 35 G HA3 -0.027 3.933 3.960 0.000 0.000 0.288 35 G C -1.200 173.674 174.900 -0.044 0.000 1.286 35 G CA -0.836 44.258 45.100 -0.010 0.000 0.865 35 G HN 0.371 nan 8.290 nan 0.000 0.506 36 E N 1.092 121.283 120.200 -0.016 0.000 2.324 36 E HA 0.257 4.607 4.350 0.000 0.000 0.271 36 E C -1.443 175.168 176.600 0.019 0.000 1.028 36 E CA -1.777 54.621 56.400 -0.003 0.000 0.890 36 E CB 1.454 31.159 29.700 0.009 0.000 1.004 36 E HN 0.060 nan 8.360 nan 0.000 0.431 37 P HA -0.261 nan 4.420 nan 0.000 0.217 37 P C 1.149 178.525 177.300 0.126 0.000 1.151 37 P CA 2.007 65.165 63.100 0.096 0.000 0.849 37 P CB 0.147 31.941 31.700 0.157 0.000 0.787 38 K N -1.185 119.275 120.400 0.100 0.000 2.280 38 K HA -0.148 4.172 4.320 0.000 0.000 0.202 38 K C 1.136 177.798 176.600 0.105 0.000 1.047 38 K CA 1.715 58.061 56.287 0.099 0.000 0.942 38 K CB -0.538 32.002 32.500 0.066 0.000 0.739 38 K HN 0.120 nan 8.250 nan 0.000 0.457 39 D N 0.858 121.311 120.400 0.089 0.000 2.338 39 D HA -0.056 4.584 4.640 0.000 0.000 0.224 39 D C 2.084 178.445 176.300 0.103 0.000 0.967 39 D CA 1.404 55.453 54.000 0.083 0.000 0.896 39 D CB 0.357 41.188 40.800 0.053 0.000 1.028 39 D HN 0.263 nan 8.370 nan 0.000 0.493 40 V N -1.077 118.903 119.914 0.110 0.000 3.307 40 V HA 0.240 4.360 4.120 0.000 0.000 0.253 40 V C 1.067 177.310 176.094 0.249 0.000 1.149 40 V CA -0.057 62.328 62.300 0.142 0.000 1.112 40 V CB -0.293 31.587 31.823 0.094 0.000 0.777 40 V HN -0.078 nan 8.190 nan 0.000 0.464 41 L N 1.954 123.320 121.223 0.238 0.000 2.436 41 L HA 0.525 4.865 4.340 0.000 0.000 0.265 41 L C -0.107 176.866 176.870 0.172 0.000 1.168 41 L CA -0.188 54.806 54.840 0.256 0.000 0.815 41 L CB 0.994 43.219 42.059 0.278 0.000 1.109 41 L HN 0.549 nan 8.230 nan 0.000 0.462 42 F N -1.251 118.542 119.950 -0.262 0.000 2.711 42 F HA 0.589 5.116 4.527 0.000 0.000 0.313 42 F C -0.814 174.706 175.800 -0.466 0.000 1.141 42 F CA -0.909 56.651 58.000 -0.734 0.000 0.941 42 F CB 1.509 40.301 39.000 -0.345 0.000 1.349 42 F HN 0.156 nan 8.300 nan 0.000 0.464 43 T N 1.643 115.992 114.554 -0.343 0.000 2.794 43 T HA 0.491 4.841 4.350 0.000 0.000 0.280 43 T C -1.197 173.535 174.700 0.054 0.000 0.987 43 T CA -0.407 61.663 62.100 -0.049 0.000 0.993 43 T CB 1.380 70.412 68.868 0.272 0.000 0.939 43 T HN 0.698 nan 8.240 nan 0.000 0.449 44 Q N 2.548 122.333 119.800 -0.025 0.000 2.310 44 Q HA 0.488 4.828 4.340 0.000 0.000 0.270 44 Q C -0.419 175.703 176.000 0.203 0.000 1.025 44 Q CA -0.630 55.249 55.803 0.128 0.000 0.772 44 Q CB 1.242 30.033 28.738 0.088 0.000 1.253 44 Q HN 0.715 nan 8.270 nan 0.000 0.450 45 S N 4.032 119.851 115.700 0.198 0.000 2.545 45 S HA 0.775 5.245 4.470 0.000 0.000 0.275 45 S C -0.366 174.391 174.600 0.262 0.000 1.299 45 S CA -0.474 57.821 58.200 0.159 0.000 1.048 45 S CB 0.123 63.383 63.200 0.100 0.000 0.938 45 S HN 0.591 nan 8.310 nan 0.000 0.496 46 F N -0.836 119.194 119.950 0.132 0.000 2.643 46 F HA 0.730 5.257 4.527 0.000 0.000 0.314 46 F C -0.694 175.153 175.800 0.078 0.000 1.096 46 F CA -1.162 56.908 58.000 0.118 0.000 0.953 46 F CB 1.018 40.125 39.000 0.177 0.000 1.345 46 F HN 0.484 nan 8.300 nan 0.000 0.468 47 E N 1.872 122.213 120.200 0.235 0.000 2.222 47 E HA 0.516 4.866 4.350 0.000 0.000 0.272 47 E C -1.112 175.585 176.600 0.162 0.000 0.982 47 E CA -0.870 55.582 56.400 0.087 0.000 0.842 47 E CB 2.559 32.295 29.700 0.061 0.000 1.144 47 E HN 0.425 nan 8.360 nan 0.000 0.397 48 I N 2.090 122.682 120.570 0.036 0.000 2.478 48 I HA 0.136 4.306 4.170 0.000 0.000 0.287 48 I C -0.674 175.440 176.117 -0.006 0.000 1.042 48 I CA -0.710 60.617 61.300 0.044 0.000 1.067 48 I CB 1.638 39.651 38.000 0.021 0.000 1.233 48 I HN 0.453 nan 8.210 nan 0.000 0.431 49 D N 5.429 125.831 120.400 0.004 0.000 2.411 49 D HA 0.144 4.784 4.640 0.000 0.000 0.225 49 D C 0.529 176.822 176.300 -0.011 0.000 1.156 49 D CA -0.130 53.865 54.000 -0.008 0.000 0.874 49 D CB 0.763 41.561 40.800 -0.003 0.000 1.034 49 D HN 0.414 nan 8.370 nan 0.000 0.502 50 D N 2.524 122.911 120.400 -0.021 0.000 2.413 50 D HA -0.009 4.631 4.640 0.000 0.000 0.237 50 D C -0.227 176.065 176.300 -0.014 0.000 1.171 50 D CA -0.054 53.934 54.000 -0.019 0.000 0.839 50 D CB 0.433 41.215 40.800 -0.030 0.000 0.950 50 D HN 0.381 nan 8.370 nan 0.000 0.499 51 D N -0.156 120.237 120.400 -0.011 0.000 2.473 51 D HA -0.010 4.630 4.640 0.000 0.000 0.242 51 D C -0.092 176.204 176.300 -0.006 0.000 1.106 51 D CA -0.095 53.901 54.000 -0.008 0.000 0.854 51 D CB 0.238 41.034 40.800 -0.008 0.000 1.192 51 D HN 0.043 nan 8.370 nan 0.000 0.503 52 N N 0.970 119.666 118.700 -0.006 0.000 2.886 52 N HA 0.214 4.955 4.740 0.000 0.000 0.285 52 N C -1.355 174.152 175.510 -0.004 0.000 1.706 52 N CA -0.253 52.794 53.050 -0.005 0.000 0.904 52 N CB 0.680 39.164 38.487 -0.006 0.000 1.224 52 N HN -0.070 nan 8.380 nan 0.000 0.488 53 L N 1.378 122.599 121.223 -0.003 0.000 2.276 53 L HA 0.675 5.015 4.340 0.000 0.000 0.286 53 L C 0.360 177.230 176.870 -0.000 0.000 1.061 53 L CA -0.496 54.344 54.840 -0.001 0.000 0.807 53 L CB 0.747 42.805 42.059 -0.001 0.000 1.177 53 L HN 0.334 nan 8.230 nan 0.000 0.429 54 A N 6.605 129.426 122.820 0.002 0.000 2.386 54 A HA 0.415 4.736 4.320 0.000 0.000 0.246 54 A C -1.594 175.993 177.584 0.005 0.000 1.089 54 A CA -0.757 51.282 52.037 0.002 0.000 0.790 54 A CB -0.483 18.518 19.000 0.002 0.000 1.042 54 A HN 0.774 nan 8.150 nan 0.000 0.497 55 P HA -0.128 nan 4.420 nan 0.000 0.216 55 P C 0.626 177.931 177.300 0.009 0.000 1.153 55 P CA 1.486 64.589 63.100 0.004 0.000 0.858 55 P CB 0.107 31.809 31.700 0.003 0.000 0.789 56 N N -0.986 117.722 118.700 0.013 0.000 2.235 56 N HA 0.057 4.797 4.740 0.000 0.000 0.209 56 N C 0.230 175.760 175.510 0.034 0.000 1.122 56 N CA 0.240 53.303 53.050 0.022 0.000 0.845 56 N CB 0.246 38.747 38.487 0.022 0.000 1.004 56 N HN 0.372 nan 8.380 nan 0.000 0.499 57 E N 0.516 120.733 120.200 0.028 0.000 2.349 57 E HA 0.402 4.752 4.350 0.000 0.000 0.265 57 E C -0.516 176.101 176.600 0.028 0.000 1.064 57 E CA -0.247 56.177 56.400 0.039 0.000 0.886 57 E CB 1.958 31.674 29.700 0.027 0.000 1.036 57 E HN -0.214 nan 8.360 nan 0.000 0.413 58 V N 2.926 122.862 119.914 0.038 0.000 2.932 58 V HA 0.386 4.506 4.120 0.000 0.000 0.307 58 V C -0.644 175.432 176.094 -0.031 0.000 1.147 58 V CA -0.675 61.609 62.300 -0.026 0.000 0.951 58 V CB 1.911 33.669 31.823 -0.108 0.000 1.031 58 V HN 0.523 nan 8.190 nan 0.000 0.426 59 I N 4.358 124.891 120.570 -0.061 0.000 2.406 59 I HA 0.647 4.817 4.170 0.000 0.000 0.290 59 I C -0.447 175.632 176.117 -0.064 0.000 0.999 59 I CA -0.913 60.372 61.300 -0.026 0.000 1.124 59 I CB 2.014 40.015 38.000 0.001 0.000 1.289 59 I HN 0.542 nan 8.210 nan 0.000 0.441 60 V N 3.586 123.476 119.914 -0.040 0.000 2.715 60 V HA 0.663 4.783 4.120 0.000 0.000 0.310 60 V C -0.615 175.586 176.094 0.177 0.000 1.054 60 V CA -0.803 61.484 62.300 -0.021 0.000 0.928 60 V CB 1.782 33.479 31.823 -0.211 0.000 1.007 60 V HN 0.821 nan 8.190 nan 0.000 0.437 61 K N 1.467 121.983 120.400 0.193 0.000 2.244 61 K HA 0.594 4.914 4.320 0.000 0.000 0.260 61 K C -0.407 176.256 176.600 0.104 0.000 0.951 61 K CA -0.322 56.069 56.287 0.173 0.000 0.826 61 K CB 1.667 34.278 32.500 0.184 0.000 1.108 61 K HN 0.678 nan 8.250 nan 0.000 0.433 62 T N 4.225 118.741 114.554 -0.065 0.000 2.834 62 T HA 0.102 4.452 4.350 0.000 0.000 0.298 62 T C 1.092 175.641 174.700 -0.252 0.000 0.966 62 T CA -0.313 61.627 62.100 -0.267 0.000 1.141 62 T CB 0.489 68.967 68.868 -0.649 0.000 0.905 62 T HN 0.571 nan 8.240 nan 0.000 0.535 63 L N 2.001 123.091 121.223 -0.221 0.000 2.221 63 L HA 0.384 4.724 4.340 0.000 0.000 0.202 63 L C 1.351 178.227 176.870 0.010 0.000 1.074 63 L CA 0.223 54.993 54.840 -0.116 0.000 0.795 63 L CB 0.128 41.986 42.059 -0.335 0.000 0.960 63 L HN 0.794 nan 8.230 nan 0.000 0.458 64 G N -0.818 107.933 108.800 -0.082 0.000 2.733 64 G HA2 0.474 4.434 3.960 0.000 0.000 0.297 64 G HA3 0.474 4.434 3.960 0.000 0.000 0.297 64 G C -1.482 173.387 174.900 -0.053 0.000 1.452 64 G CA -0.179 44.916 45.100 -0.009 0.000 0.940 64 G HN -0.037 nan 8.290 nan 0.000 0.547 65 S N 1.655 117.413 115.700 0.096 0.000 2.548 65 S HA 0.879 5.349 4.470 0.000 0.000 0.276 65 S C -3.172 171.539 174.600 0.184 0.000 1.129 65 S CA -1.397 56.899 58.200 0.160 0.000 0.931 65 S CB 3.477 66.872 63.200 0.326 0.000 1.068 65 S HN 0.595 nan 8.310 nan 0.000 0.480 66 P HA 0.485 nan 4.420 nan 0.000 0.283 66 P C -0.996 176.509 177.300 0.343 0.000 1.278 66 P CA -0.850 62.363 63.100 0.189 0.000 0.834 66 P CB 1.126 32.928 31.700 0.168 0.000 1.150 67 V N 2.580 122.629 119.914 0.226 0.000 2.320 67 V HA 0.235 4.355 4.120 0.000 0.000 0.265 67 V C 0.124 176.406 176.094 0.315 0.000 1.048 67 V CA -0.300 62.208 62.300 0.348 0.000 0.865 67 V CB -0.495 31.412 31.823 0.141 0.000 1.043 67 V HN 0.478 nan 8.190 nan 0.000 0.474 68 N N 6.581 125.505 118.700 0.373 0.000 2.430 68 N HA 0.456 5.196 4.740 0.000 0.000 0.298 68 N C -1.859 173.793 175.510 0.236 0.000 1.130 68 N CA -2.112 51.098 53.050 0.267 0.000 0.894 68 N CB 1.770 40.404 38.487 0.245 0.000 1.209 68 N HN 0.122 nan 8.380 nan 0.000 0.503 69 P HA -0.138 nan 4.420 nan 0.000 0.216 69 P C 1.082 178.460 177.300 0.129 0.000 1.150 69 P CA 1.495 64.682 63.100 0.144 0.000 0.837 69 P CB 0.147 31.920 31.700 0.123 0.000 0.786 70 S N -1.005 114.788 115.700 0.155 0.000 2.419 70 S HA -0.171 4.299 4.470 0.000 0.000 0.233 70 S C 1.547 176.210 174.600 0.104 0.000 1.016 70 S CA 1.332 59.625 58.200 0.156 0.000 0.974 70 S CB -1.125 62.206 63.200 0.219 0.000 0.786 70 S HN 0.144 nan 8.310 nan 0.000 0.492 71 D N 1.997 122.450 120.400 0.089 0.000 2.091 71 D HA 0.076 4.716 4.640 0.000 0.000 0.199 71 D C 2.034 178.314 176.300 -0.033 0.000 0.980 71 D CA 0.989 54.967 54.000 -0.037 0.000 0.831 71 D CB -0.427 40.333 40.800 -0.068 0.000 0.987 71 D HN 0.419 nan 8.370 nan 0.000 0.460 72 I N 1.479 122.098 120.570 0.083 0.000 2.163 72 I HA -0.301 3.869 4.170 0.000 0.000 0.243 72 I C 2.237 178.357 176.117 0.005 0.000 1.085 72 I CA 0.993 62.339 61.300 0.075 0.000 1.347 72 I CB -0.432 37.636 38.000 0.113 0.000 1.044 72 I HN 0.019 nan 8.210 nan 0.000 0.408 73 N N 0.194 118.903 118.700 0.015 0.000 2.058 73 N HA -0.357 4.383 4.740 0.000 0.000 0.200 73 N C 1.935 177.422 175.510 -0.038 0.000 1.033 73 N CA 2.058 55.102 53.050 -0.010 0.000 0.880 73 N CB -0.184 38.316 38.487 0.022 0.000 1.069 73 N HN 0.400 nan 8.380 nan 0.000 0.461 74 Q N 0.675 120.469 119.800 -0.010 0.000 2.045 74 Q HA -0.167 4.173 4.340 0.000 0.000 0.206 74 Q C 2.148 178.158 176.000 0.015 0.000 0.991 74 Q CA 1.596 57.413 55.803 0.023 0.000 0.851 74 Q CB -0.075 28.684 28.738 0.036 0.000 0.911 74 Q HN 0.428 nan 8.270 nan 0.000 0.418 75 I N 0.464 120.968 120.570 -0.109 0.000 2.208 75 I HA -0.332 3.838 4.170 0.000 0.000 0.245 75 I C 2.236 178.222 176.117 -0.218 0.000 1.097 75 I CA 1.457 62.511 61.300 -0.409 0.000 1.363 75 I CB -0.325 37.443 38.000 -0.386 0.000 1.051 75 I HN 0.356 nan 8.210 nan 0.000 0.413 76 Q N 0.452 120.175 119.800 -0.127 0.000 2.369 76 Q HA 0.020 4.360 4.340 0.000 0.000 0.206 76 Q C 1.511 177.412 176.000 -0.165 0.000 0.963 76 Q CA 0.776 56.517 55.803 -0.104 0.000 0.894 76 Q CB 0.130 28.816 28.738 -0.088 0.000 0.965 76 Q HN 0.698 nan 8.270 nan 0.000 0.475 77 G N 0.809 109.396 108.800 -0.355 0.000 2.132 77 G HA2 -0.265 3.696 3.960 0.000 0.000 0.234 77 G HA3 -0.265 3.696 3.960 0.000 0.000 0.234 77 G C 0.637 175.299 174.900 -0.397 0.000 0.989 77 G CA 0.344 44.923 45.100 -0.869 0.000 0.676 77 G HN 0.463 nan 8.290 nan 0.000 0.522 78 V N -2.918 116.864 119.914 -0.220 0.000 3.621 78 V HA 0.443 4.564 4.120 0.000 0.000 0.285 78 V C 0.655 176.688 176.094 -0.102 0.000 1.346 78 V CA 0.471 62.691 62.300 -0.134 0.000 1.104 78 V CB 0.522 32.288 31.823 -0.095 0.000 0.913 78 V HN 0.308 nan 8.190 nan 0.000 0.432 79 N N 1.909 120.560 118.700 -0.083 0.000 2.437 79 N HA 0.407 5.147 4.740 0.000 0.000 0.259 79 N C -1.849 173.686 175.510 0.041 0.000 0.983 79 N CA -1.753 51.292 53.050 -0.008 0.000 0.937 79 N CB 2.085 40.613 38.487 0.067 0.000 1.122 79 N HN 0.091 nan 8.380 nan 0.000 0.499 80 P HA -0.062 nan 4.420 nan 0.000 0.218 80 P C 0.167 177.579 177.300 0.187 0.000 1.149 80 P CA 0.822 63.994 63.100 0.120 0.000 0.817 80 P CB 0.292 32.075 31.700 0.139 0.000 0.785 81 S N 0.644 116.527 115.700 0.304 0.000 2.448 81 S HA 0.354 4.824 4.470 0.000 0.000 0.279 81 S C -0.183 174.506 174.600 0.147 0.000 1.195 81 S CA -0.437 57.889 58.200 0.209 0.000 1.051 81 S CB -0.792 62.528 63.200 0.201 0.000 0.948 81 S HN 0.101 nan 8.310 nan 0.000 0.493 82 K N 4.138 124.599 120.400 0.101 0.000 2.587 82 K HA 0.587 4.907 4.320 0.000 0.000 0.276 82 K C -3.336 173.301 176.600 0.062 0.000 0.956 82 K CA -1.868 54.480 56.287 0.101 0.000 0.857 82 K CB 0.991 33.590 32.500 0.165 0.000 1.431 82 K HN 0.262 nan 8.250 nan 0.000 0.420 83 P HA 0.101 nan 4.420 nan 0.000 0.274 83 P C -0.592 176.698 177.300 -0.017 0.000 1.231 83 P CA -0.300 62.793 63.100 -0.012 0.000 0.790 83 P CB 1.039 32.706 31.700 -0.055 0.000 0.951 84 A N 3.294 126.094 122.820 -0.034 0.000 2.407 84 A HA 0.184 4.504 4.320 0.000 0.000 0.248 84 A C 0.307 177.844 177.584 -0.078 0.000 1.082 84 A CA -0.399 51.615 52.037 -0.038 0.000 0.785 84 A CB -0.158 18.821 19.000 -0.035 0.000 1.020 84 A HN 0.449 nan 8.150 nan 0.000 0.489 85 K N 1.566 121.916 120.400 -0.083 0.000 2.349 85 K HA 0.366 4.686 4.320 0.000 0.000 0.289 85 K C 0.284 176.840 176.600 -0.075 0.000 1.064 85 K CA 0.267 56.483 56.287 -0.118 0.000 0.947 85 K CB 0.566 32.994 32.500 -0.119 0.000 1.007 85 K HN 0.872 nan 8.250 nan 0.000 0.478 86 T N -1.480 113.035 114.554 -0.065 0.000 2.838 86 T HA 0.212 4.562 4.350 0.000 0.000 0.292 86 T C 0.679 175.368 174.700 -0.018 0.000 1.113 86 T CA -0.776 61.297 62.100 -0.046 0.000 1.008 86 T CB 1.701 70.529 68.868 -0.066 0.000 1.259 86 T HN 0.259 nan 8.240 nan 0.000 0.520 87 T N 0.451 114.989 114.554 -0.027 0.000 3.107 87 T HA 0.257 4.607 4.350 0.000 0.000 0.249 87 T C 2.026 176.700 174.700 -0.042 0.000 1.096 87 T CA 0.616 62.710 62.100 -0.010 0.000 1.012 87 T CB -0.739 68.119 68.868 -0.016 0.000 0.977 87 T HN 0.848 nan 8.240 nan 0.000 0.527 88 G N 0.811 109.542 108.800 -0.114 0.000 2.507 88 G HA2 -0.207 3.754 3.960 0.000 0.000 0.221 88 G HA3 -0.207 3.754 3.960 0.000 0.000 0.221 88 G C 0.941 175.576 174.900 -0.442 0.000 1.119 88 G CA 0.596 45.526 45.100 -0.285 0.000 0.751 88 G HN 0.545 nan 8.290 nan 0.000 0.574 89 F N 0.644 120.453 119.950 -0.235 0.000 2.811 89 F HA 0.323 4.850 4.527 0.000 0.000 0.301 89 F C 2.017 177.774 175.800 -0.073 0.000 1.151 89 F CA 0.567 58.399 58.000 -0.281 0.000 1.412 89 F CB 0.378 39.189 39.000 -0.315 0.000 1.113 89 F HN 0.276 nan 8.300 nan 0.000 0.579 90 G N 0.745 109.589 108.800 0.074 0.000 2.132 90 G HA2 -0.270 3.690 3.960 0.000 0.000 0.234 90 G HA3 -0.270 3.690 3.960 0.000 0.000 0.234 90 G C 0.338 175.303 174.900 0.109 0.000 0.989 90 G CA 0.158 45.309 45.100 0.085 0.000 0.676 90 G HN 0.442 nan 8.290 nan 0.000 0.522 91 T N -2.556 112.073 114.554 0.124 0.000 2.868 91 T HA 0.574 4.924 4.350 0.000 0.000 0.292 91 T C 1.462 176.196 174.700 0.055 0.000 1.028 91 T CA 0.835 63.004 62.100 0.115 0.000 1.059 91 T CB 1.616 70.582 68.868 0.162 0.000 0.991 91 T HN 0.116 nan 8.240 nan 0.000 0.531 92 T N 0.534 115.106 114.554 0.031 0.000 2.852 92 T HA 0.044 4.394 4.350 0.000 0.000 0.256 92 T C 0.726 175.425 174.700 -0.001 0.000 1.038 92 T CA 0.770 62.875 62.100 0.008 0.000 1.141 92 T CB -0.058 68.807 68.868 -0.005 0.000 0.869 92 T HN 0.598 nan 8.240 nan 0.000 0.439 93 E N 1.712 121.906 120.200 -0.009 0.000 2.318 93 E HA 0.300 4.651 4.350 0.000 0.000 0.265 93 E C -2.594 174.004 176.600 -0.002 0.000 1.069 93 E CA -2.855 53.536 56.400 -0.014 0.000 0.893 93 E CB 0.088 29.768 29.700 -0.033 0.000 1.076 93 E HN 0.122 nan 8.360 nan 0.000 0.414 94 P HA 0.173 nan 4.420 nan 0.000 0.271 94 P C -1.234 176.041 177.300 -0.041 0.000 1.216 94 P CA 0.144 63.229 63.100 -0.025 0.000 0.771 94 P CB 0.726 32.404 31.700 -0.035 0.000 0.864 95 A N 2.388 125.173 122.820 -0.058 0.000 2.486 95 A HA 0.777 5.097 4.320 0.000 0.000 0.300 95 A C -1.135 176.289 177.584 -0.267 0.000 1.048 95 A CA -0.680 51.275 52.037 -0.136 0.000 0.696 95 A CB 1.624 20.622 19.000 -0.002 0.000 1.278 95 A HN 0.480 nan 8.150 nan 0.000 0.405 96 A N 3.018 125.497 122.820 -0.568 0.000 2.337 96 A HA 0.927 5.247 4.320 0.000 0.000 0.329 96 A C -2.681 174.479 177.584 -0.705 0.000 1.146 96 A CA -1.795 49.865 52.037 -0.629 0.000 0.800 96 A CB 0.833 19.370 19.000 -0.772 0.000 1.220 96 A HN 0.575 nan 8.150 nan 0.000 0.472 97 P HA 0.570 nan 4.420 nan 0.000 0.293 97 P C -0.765 176.350 177.300 -0.307 0.000 1.304 97 P CA -0.531 62.296 63.100 -0.455 0.000 0.767 97 P CB 0.805 32.264 31.700 -0.401 0.000 1.247 98 C N -1.793 117.301 119.300 -0.342 0.000 2.712 98 C HA 0.873 5.334 4.460 0.000 0.000 0.308 98 C C 0.209 174.648 174.990 -0.918 0.000 1.201 98 C CA 0.348 59.016 59.018 -0.583 0.000 1.554 98 C CB 0.594 27.960 27.740 -0.623 0.000 2.117 98 C HN 0.994 nan 8.230 nan 0.000 0.480 99 G N 2.862 110.985 108.800 -1.128 0.000 2.907 99 G HA2 -0.119 3.841 3.960 0.000 0.000 0.686 99 G HA3 -0.119 3.841 3.960 0.000 0.000 0.686 99 G C -0.341 174.442 174.900 -0.196 0.000 1.115 99 G CA -0.433 44.166 45.100 -0.836 0.000 0.760 99 G HN 0.811 nan 8.290 nan 0.000 0.620 100 N N 0.118 118.800 118.700 -0.031 0.000 2.250 100 N HA 0.062 4.802 4.740 0.000 0.000 0.190 100 N C 0.488 176.076 175.510 0.131 0.000 1.116 100 N CA 0.598 53.686 53.050 0.063 0.000 0.881 100 N CB 1.313 39.831 38.487 0.051 0.000 1.006 100 N HN 0.760 nan 8.380 nan 0.000 0.491 101 E N -0.094 120.211 120.200 0.175 0.000 2.317 101 E HA 0.606 4.956 4.350 0.000 0.000 0.270 101 E C -1.111 175.613 176.600 0.206 0.000 0.885 101 E CA -0.790 55.719 56.400 0.183 0.000 0.760 101 E CB 2.351 32.151 29.700 0.167 0.000 1.227 101 E HN 0.104 nan 8.360 nan 0.000 0.434 102 G N 1.611 110.493 108.800 0.137 0.000 2.340 102 G HA2 0.342 4.302 3.960 0.000 0.000 0.298 102 G HA3 0.342 4.302 3.960 0.000 0.000 0.298 102 G C -2.279 172.497 174.900 -0.206 0.000 1.498 102 G CA -0.887 44.176 45.100 -0.061 0.000 0.847 102 G HN 0.450 nan 8.290 nan 0.000 0.594 103 L N 0.181 121.136 121.223 -0.446 0.000 2.307 103 L HA 0.939 5.279 4.340 0.000 0.000 0.284 103 L C -1.294 175.148 176.870 -0.713 0.000 1.023 103 L CA -0.877 53.709 54.840 -0.422 0.000 0.810 103 L CB 0.883 42.694 42.059 -0.413 0.000 1.231 103 L HN 0.424 nan 8.230 nan 0.000 0.423 104 F N 1.880 121.737 119.950 -0.154 0.000 2.588 104 F HA 0.503 5.030 4.527 0.000 0.000 0.314 104 F C -0.141 175.541 175.800 -0.196 0.000 1.069 104 F CA -0.788 57.129 58.000 -0.139 0.000 0.931 104 F CB 1.610 40.596 39.000 -0.023 0.000 1.260 104 F HN 0.408 nan 8.300 nan 0.000 0.465 105 E N 1.391 121.621 120.200 0.050 0.000 2.109 105 E HA 0.461 4.812 4.350 0.000 0.000 0.278 105 E C -1.175 175.458 176.600 0.055 0.000 0.954 105 E CA -0.651 55.789 56.400 0.067 0.000 0.779 105 E CB 1.287 31.038 29.700 0.085 0.000 1.093 105 E HN 0.475 nan 8.360 nan 0.000 0.401 106 V N 7.310 127.236 119.914 0.019 0.000 2.509 106 V HA -0.088 4.032 4.120 0.000 0.000 0.297 106 V C 1.355 177.452 176.094 0.005 0.000 1.014 106 V CA 0.769 63.039 62.300 -0.050 0.000 1.127 106 V CB -0.259 31.524 31.823 -0.066 0.000 0.925 106 V HN 0.711 nan 8.190 nan 0.000 0.480 107 I N 1.217 121.786 120.570 -0.002 0.000 3.172 107 I HA 0.399 4.569 4.170 0.000 0.000 0.278 107 I C 0.720 176.837 176.117 0.001 0.000 1.174 107 I CA 0.422 61.733 61.300 0.018 0.000 1.445 107 I CB 0.315 38.340 38.000 0.040 0.000 1.175 107 I HN 0.405 nan 8.210 nan 0.000 0.447 108 K N 1.839 122.229 120.400 -0.017 0.000 2.525 108 K HA 0.579 4.899 4.320 0.000 0.000 0.254 108 K C -1.101 175.481 176.600 -0.030 0.000 0.934 108 K CA -0.608 55.669 56.287 -0.018 0.000 0.802 108 K CB 3.446 35.939 32.500 -0.012 0.000 1.295 108 K HN 0.156 nan 8.250 nan 0.000 0.433 109 V N -0.926 118.974 119.914 -0.024 0.000 3.046 109 V HA 0.845 4.965 4.120 0.000 0.000 0.316 109 V C 0.223 176.311 176.094 -0.010 0.000 1.104 109 V CA -0.484 61.803 62.300 -0.023 0.000 1.006 109 V CB 1.614 33.422 31.823 -0.026 0.000 1.058 109 V HN 0.780 nan 8.190 nan 0.000 0.440 110 G N 0.952 109.749 108.800 -0.005 0.000 2.588 110 G HA2 0.391 4.351 3.960 0.000 0.000 0.278 110 G HA3 0.391 4.351 3.960 0.000 0.000 0.278 110 G C 1.021 175.920 174.900 -0.001 0.000 1.307 110 G CA 0.142 45.241 45.100 -0.001 0.000 1.016 110 G HN 1.629 nan 8.290 nan 0.000 0.503 111 S N -0.987 114.713 115.700 -0.000 0.000 2.387 111 S HA -0.131 4.340 4.470 0.000 0.000 0.226 111 S C 1.673 176.273 174.600 0.000 0.000 1.026 111 S CA 1.308 59.508 58.200 -0.001 0.000 0.972 111 S CB -0.208 62.991 63.200 -0.001 0.000 0.814 111 S HN 0.523 nan 8.310 nan 0.000 0.477 112 N N 0.784 119.485 118.700 0.002 0.000 2.314 112 N HA 0.157 4.897 4.740 0.000 0.000 0.200 112 N C -0.812 174.700 175.510 0.004 0.000 1.135 112 N CA -0.063 52.988 53.050 0.002 0.000 0.835 112 N CB 0.250 38.739 38.487 0.004 0.000 0.989 112 N HN 0.235 nan 8.380 nan 0.000 0.478 113 V N 1.442 121.358 119.914 0.003 0.000 2.368 113 V HA 0.157 4.277 4.120 0.000 0.000 0.266 113 V C 1.050 177.144 176.094 -0.000 0.000 1.045 113 V CA -0.051 62.251 62.300 0.003 0.000 0.899 113 V CB 0.862 32.685 31.823 0.001 0.000 1.006 113 V HN 0.380 nan 8.190 nan 0.000 0.470 114 S N 2.700 118.400 115.700 0.001 0.000 2.545 114 S HA -0.064 4.406 4.470 0.000 0.000 0.232 114 S C 1.992 176.591 174.600 -0.001 0.000 1.070 114 S CA 0.569 58.768 58.200 -0.001 0.000 0.923 114 S CB -0.105 63.094 63.200 -0.001 0.000 0.806 114 S HN 0.774 nan 8.310 nan 0.000 0.506 115 S N 1.386 117.087 115.700 0.001 0.000 2.442 115 S HA 0.184 4.654 4.470 0.000 0.000 0.236 115 S C 0.578 175.179 174.600 0.001 0.000 1.007 115 S CA 0.194 58.396 58.200 0.002 0.000 0.965 115 S CB -0.640 62.564 63.200 0.006 0.000 0.773 115 S HN 0.526 nan 8.310 nan 0.000 0.504 116 L N 0.728 121.950 121.223 -0.003 0.000 2.354 116 L HA 0.642 4.982 4.340 0.000 0.000 0.264 116 L C -0.726 176.136 176.870 -0.014 0.000 1.008 116 L CA -0.683 54.150 54.840 -0.012 0.000 0.819 116 L CB 2.304 44.344 42.059 -0.032 0.000 1.339 116 L HN 0.231 nan 8.230 nan 0.000 0.420 117 E N 0.907 121.099 120.200 -0.013 0.000 2.383 117 E HA 0.559 4.909 4.350 0.000 0.000 0.275 117 E C -1.103 175.494 176.600 -0.004 0.000 0.918 117 E CA -1.028 55.367 56.400 -0.008 0.000 0.764 117 E CB 2.254 31.953 29.700 -0.003 0.000 1.252 117 E HN 0.629 nan 8.360 nan 0.000 0.449 118 A N 0.630 123.450 122.820 -0.001 0.000 2.531 118 A HA 0.418 4.739 4.320 0.000 0.000 0.236 118 A C 1.259 178.861 177.584 0.030 0.000 1.062 118 A CA 1.184 53.227 52.037 0.011 0.000 0.760 118 A CB -0.570 18.436 19.000 0.010 0.000 0.995 118 A HN 0.987 nan 8.150 nan 0.000 0.501 119 G N 1.532 110.366 108.800 0.057 0.000 2.241 119 G HA2 -0.204 3.756 3.960 0.000 0.000 0.244 119 G HA3 -0.204 3.756 3.960 0.000 0.000 0.244 119 G C 0.111 175.097 174.900 0.143 0.000 0.998 119 G CA 0.352 45.507 45.100 0.091 0.000 0.621 119 G HN 0.848 nan 8.290 nan 0.000 0.519 120 D N -0.161 120.306 120.400 0.111 0.000 2.400 120 D HA 0.342 4.982 4.640 0.000 0.000 0.238 120 D C 0.041 176.522 176.300 0.302 0.000 1.157 120 D CA 0.217 54.300 54.000 0.137 0.000 0.889 120 D CB 0.344 41.183 40.800 0.066 0.000 1.199 120 D HN 0.185 nan 8.370 nan 0.000 0.436 121 W N 1.726 123.029 121.300 0.005 0.000 2.433 121 W HA 0.407 5.067 4.660 0.000 0.000 0.315 121 W C -0.239 176.304 176.519 0.040 0.000 1.087 121 W CA -0.840 56.522 57.345 0.027 0.000 1.205 121 W CB 0.710 30.184 29.460 0.022 0.000 1.288 121 W HN 0.004 nan 8.180 nan 0.000 0.504 122 V N 3.705 123.744 119.914 0.208 0.000 2.925 122 V HA 0.715 4.835 4.120 0.000 0.000 0.311 122 V C -0.408 175.852 176.094 0.277 0.000 1.104 122 V CA -1.438 60.981 62.300 0.198 0.000 0.954 122 V CB 1.470 33.364 31.823 0.119 0.000 1.022 122 V HN 0.464 nan 8.190 nan 0.000 0.427 123 I N -0.007 120.698 120.570 0.225 0.000 2.822 123 I HA 0.817 4.987 4.170 0.000 0.000 0.312 123 I C -2.569 173.605 176.117 0.096 0.000 1.011 123 I CA -2.743 58.688 61.300 0.219 0.000 1.105 123 I CB 1.693 39.757 38.000 0.107 0.000 1.291 123 I HN 0.376 nan 8.210 nan 0.000 0.474 124 P HA 0.055 nan 4.420 nan 0.000 0.271 124 P C 0.207 177.275 177.300 -0.387 0.000 1.233 124 P CA -0.152 62.623 63.100 -0.541 0.000 0.789 124 P CB 0.660 32.055 31.700 -0.508 0.000 0.951 125 S N -0.942 114.418 115.700 -0.567 0.000 2.483 125 S HA 0.067 4.537 4.470 0.000 0.000 0.221 125 S C 0.489 174.711 174.600 -0.630 0.000 1.030 125 S CA 0.430 58.287 58.200 -0.572 0.000 0.925 125 S CB -0.392 62.372 63.200 -0.727 0.000 0.795 125 S HN 0.432 nan 8.310 nan 0.000 0.511 126 H N 0.993 119.950 119.070 -0.187 0.000 2.821 126 H HA 0.557 5.113 4.556 0.000 0.000 0.373 126 H C 0.126 175.403 175.328 -0.085 0.000 1.165 126 H CA -0.702 55.274 56.048 -0.120 0.000 1.154 126 H CB 1.592 31.295 29.762 -0.097 0.000 1.765 126 H HN 0.193 nan 8.280 nan 0.000 0.549 127 V N 0.009 119.961 119.914 0.064 0.000 3.566 127 V HA 0.067 4.187 4.120 0.000 0.000 0.301 127 V C 0.659 176.799 176.094 0.075 0.000 1.105 127 V CA -0.547 61.776 62.300 0.038 0.000 1.142 127 V CB 0.118 31.927 31.823 -0.022 0.000 1.107 127 V HN 0.983 nan 8.190 nan 0.000 0.481 128 N N -1.406 117.334 118.700 0.066 0.000 2.850 128 N HA -0.250 4.490 4.740 0.000 0.000 0.249 128 N C -0.007 175.550 175.510 0.078 0.000 1.060 128 N CA 1.447 54.527 53.050 0.049 0.000 0.825 128 N CB -1.873 36.627 38.487 0.022 0.000 1.132 128 N HN 0.915 nan 8.380 nan 0.000 0.564 129 F N 1.087 121.009 119.950 -0.047 0.000 2.367 129 F HA 0.213 4.740 4.527 0.000 0.000 0.298 129 F C 1.497 177.285 175.800 -0.021 0.000 1.094 129 F CA 1.622 59.586 58.000 -0.060 0.000 1.409 129 F CB -0.020 38.922 39.000 -0.097 0.000 1.064 129 F HN 0.251 nan 8.300 nan 0.000 0.528 130 G N 0.965 109.790 108.800 0.042 0.000 3.038 130 G HA2 -0.221 3.739 3.960 0.000 0.000 0.241 130 G HA3 -0.221 3.739 3.960 0.000 0.000 0.241 130 G C 0.495 175.479 174.900 0.139 0.000 0.968 130 G CA 0.292 45.362 45.100 -0.049 0.000 0.949 130 G HN 0.663 nan 8.290 nan 0.000 0.394 131 T N -1.935 112.757 114.554 0.230 0.000 3.054 131 T HA 0.215 4.565 4.350 0.000 0.000 0.255 131 T C 0.504 175.489 174.700 0.475 0.000 1.035 131 T CA 0.160 62.562 62.100 0.503 0.000 0.941 131 T CB 0.234 69.409 68.868 0.511 0.000 1.026 131 T HN 0.524 nan 8.240 nan 0.000 0.533 132 W N 4.776 126.040 121.300 -0.061 0.000 1.738 132 W HA 0.551 5.211 4.660 0.000 0.000 0.399 132 W C 0.655 177.066 176.519 -0.180 0.000 0.744 132 W CA -1.692 55.439 57.345 -0.357 0.000 1.695 132 W CB -0.994 27.956 29.460 -0.850 0.000 1.820 132 W HN 0.441 nan 8.180 nan 0.000 0.262 133 R N -1.757 118.859 120.500 0.192 0.000 2.774 133 R HA 0.346 4.686 4.340 0.000 0.000 0.279 133 R C 0.629 176.828 176.300 -0.169 0.000 1.022 133 R CA -0.336 55.818 56.100 0.089 0.000 0.855 133 R CB 0.373 30.783 30.300 0.184 0.000 1.279 133 R HN -0.053 nan 8.270 nan 0.000 0.485 134 T N -2.861 111.535 114.554 -0.263 0.000 3.009 134 T HA 0.162 4.512 4.350 0.000 0.000 0.258 134 T C 0.154 174.433 174.700 -0.701 0.000 1.063 134 T CA 0.877 62.563 62.100 -0.690 0.000 1.139 134 T CB -0.409 68.102 68.868 -0.596 0.000 0.890 134 T HN 0.675 nan 8.240 nan 0.000 0.471 135 H N -0.162 118.943 119.070 0.058 0.000 3.008 135 H HA 0.789 5.345 4.556 0.000 0.000 0.354 135 H C -0.820 174.676 175.328 0.281 0.000 1.252 135 H CA -0.729 55.406 56.048 0.144 0.000 1.117 135 H CB 1.752 31.549 29.762 0.059 0.000 1.857 135 H HN 0.425 nan 8.280 nan 0.000 0.547 136 A N 0.978 124.019 122.820 0.369 0.000 2.566 136 A HA 0.683 5.004 4.320 0.000 0.000 0.292 136 A C -1.890 175.830 177.584 0.228 0.000 1.112 136 A CA -0.667 51.543 52.037 0.289 0.000 0.707 136 A CB 1.655 20.824 19.000 0.281 0.000 1.302 136 A HN 0.507 nan 8.150 nan 0.000 0.409 137 L N 1.128 122.447 121.223 0.161 0.000 2.372 137 L HA 0.799 5.139 4.340 0.000 0.000 0.273 137 L C 0.091 177.048 176.870 0.145 0.000 0.989 137 L CA 0.526 55.442 54.840 0.127 0.000 0.841 137 L CB 1.212 43.306 42.059 0.059 0.000 1.225 137 L HN 1.134 nan 8.230 nan 0.000 0.414 138 G N 3.325 112.296 108.800 0.285 0.000 3.086 138 G HA2 0.411 4.371 3.960 0.000 0.000 0.282 138 G HA3 0.411 4.371 3.960 0.000 0.000 0.282 138 G C -1.188 173.861 174.900 0.248 0.000 1.343 138 G CA -0.992 44.282 45.100 0.290 0.000 0.895 138 G HN 0.609 nan 8.290 nan 0.000 0.557 139 N N 0.025 118.851 118.700 0.209 0.000 2.493 139 N HA 0.212 4.952 4.740 0.000 0.000 0.275 139 N C 0.615 176.263 175.510 0.230 0.000 1.186 139 N CA -0.083 53.060 53.050 0.155 0.000 0.978 139 N CB 1.555 40.096 38.487 0.090 0.000 1.184 139 N HN 0.628 nan 8.380 nan 0.000 0.487 140 D N 0.460 120.948 120.400 0.146 0.000 2.149 140 D HA -0.283 4.357 4.640 0.000 0.000 0.194 140 D C 0.969 177.359 176.300 0.151 0.000 1.001 140 D CA 1.590 55.670 54.000 0.134 0.000 0.849 140 D CB -0.292 40.542 40.800 0.057 0.000 0.939 140 D HN 0.634 nan 8.370 nan 0.000 0.449 141 D N -0.349 120.102 120.400 0.085 0.000 2.349 141 D HA -0.116 4.524 4.640 0.000 0.000 0.224 141 D C 0.648 176.906 176.300 -0.071 0.000 1.029 141 D CA 0.274 54.285 54.000 0.019 0.000 0.879 141 D CB -0.275 40.540 40.800 0.025 0.000 0.906 141 D HN 0.153 nan 8.370 nan 0.000 0.528 142 D N -0.498 119.854 120.400 -0.080 0.000 2.363 142 D HA 0.059 4.699 4.640 0.000 0.000 0.226 142 D C -0.301 175.433 176.300 -0.943 0.000 1.020 142 D CA 0.377 54.124 54.000 -0.422 0.000 0.892 142 D CB 0.179 40.736 40.800 -0.406 0.000 0.900 142 D HN 0.232 nan 8.370 nan 0.000 0.531 143 F N -0.320 119.478 119.950 -0.252 0.000 2.613 143 F HA 0.473 5.000 4.527 0.000 0.000 0.314 143 F C 0.042 175.737 175.800 -0.174 0.000 1.075 143 F CA -1.027 56.820 58.000 -0.254 0.000 0.945 143 F CB 1.764 40.639 39.000 -0.208 0.000 1.310 143 F HN -0.387 nan 8.300 nan 0.000 0.467 144 I N 1.765 122.372 120.570 0.062 0.000 2.406 144 I HA 0.295 4.465 4.170 0.000 0.000 0.290 144 I C -0.385 175.777 176.117 0.075 0.000 0.999 144 I CA -0.948 60.367 61.300 0.025 0.000 1.124 144 I CB 1.945 39.926 38.000 -0.031 0.000 1.289 144 I HN 0.496 nan 8.210 nan 0.000 0.441 145 K N 7.121 127.556 120.400 0.058 0.000 2.379 145 K HA 0.396 4.716 4.320 0.000 0.000 0.284 145 K C -1.226 175.421 176.600 0.078 0.000 1.044 145 K CA -0.130 56.199 56.287 0.070 0.000 0.974 145 K CB 0.599 33.124 32.500 0.042 0.000 0.962 145 K HN 0.566 nan 8.250 nan 0.000 0.474 146 L N 7.284 128.586 121.223 0.131 0.000 2.322 146 L HA 0.394 4.734 4.340 0.000 0.000 0.281 146 L C -2.003 174.944 176.870 0.128 0.000 1.014 146 L CA -2.628 52.300 54.840 0.145 0.000 0.815 146 L CB 1.851 44.049 42.059 0.231 0.000 1.247 146 L HN 0.637 nan 8.230 nan 0.000 0.421 147 P HA -0.041 nan 4.420 nan 0.000 0.257 147 P C -0.934 176.275 177.300 -0.151 0.000 1.189 147 P CA -0.061 63.018 63.100 -0.036 0.000 0.780 147 P CB -0.126 31.553 31.700 -0.036 0.000 0.772 148 N N 4.956 123.453 118.700 -0.338 0.000 2.371 148 N HA 0.072 4.812 4.740 0.000 0.000 0.243 148 N C -1.814 173.279 175.510 -0.694 0.000 1.287 148 N CA -1.299 51.166 53.050 -0.975 0.000 0.911 148 N CB -0.451 37.327 38.487 -1.181 0.000 1.142 148 N HN 0.077 nan 8.380 nan 0.000 0.451 149 P HA -0.212 nan 4.420 nan 0.000 0.212 149 P C 1.179 178.326 177.300 -0.254 0.000 1.178 149 P CA 2.565 65.421 63.100 -0.406 0.000 0.915 149 P CB -0.352 31.145 31.700 -0.339 0.000 0.788 150 A N -0.318 122.361 122.820 -0.235 0.000 1.929 150 A HA -0.379 3.941 4.320 0.000 0.000 0.221 150 A C 2.277 179.782 177.584 -0.132 0.000 1.211 150 A CA 2.519 54.465 52.037 -0.151 0.000 0.657 150 A CB -1.722 17.198 19.000 -0.132 0.000 0.827 150 A HN 0.281 nan 8.150 nan 0.000 0.462 151 Q N -0.718 118.985 119.800 -0.163 0.000 2.084 151 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 151 Q C 2.527 178.469 176.000 -0.097 0.000 0.978 151 Q CA 1.689 57.420 55.803 -0.119 0.000 0.844 151 Q CB -0.204 28.457 28.738 -0.129 0.000 0.898 151 Q HN 0.734 nan 8.270 nan 0.000 0.426 152 S N 0.993 116.622 115.700 -0.119 0.000 2.343 152 S HA -0.150 4.320 4.470 0.000 0.000 0.212 152 S C 1.800 176.364 174.600 -0.060 0.000 1.033 152 S CA 1.067 59.219 58.200 -0.081 0.000 1.004 152 S CB -0.297 62.850 63.200 -0.088 0.000 0.977 152 S HN 0.270 nan 8.310 nan 0.000 0.427 153 K N 1.470 121.829 120.400 -0.068 0.000 2.218 153 K HA -0.066 4.254 4.320 0.000 0.000 0.205 153 K C 0.837 177.413 176.600 -0.041 0.000 1.046 153 K CA 1.175 57.433 56.287 -0.048 0.000 0.933 153 K CB -0.234 32.235 32.500 -0.053 0.000 0.728 153 K HN 0.314 nan 8.250 nan 0.000 0.454 154 A N 1.025 123.815 122.820 -0.050 0.000 3.197 154 A HA 0.137 4.457 4.320 0.000 0.000 0.263 154 A C 0.121 177.683 177.584 -0.035 0.000 1.524 154 A CA -0.139 51.874 52.037 -0.040 0.000 1.176 154 A CB -0.632 18.342 19.000 -0.044 0.000 1.096 154 A HN 0.575 nan 8.150 nan 0.000 0.655 155 N N -1.107 117.575 118.700 -0.029 0.000 2.002 155 N HA 0.205 4.945 4.740 0.000 0.000 0.222 155 N C 0.927 176.428 175.510 -0.015 0.000 1.396 155 N CA 0.675 53.711 53.050 -0.023 0.000 0.725 155 N CB 0.290 38.760 38.487 -0.028 0.000 1.183 155 N HN 0.605 nan 8.380 nan 0.000 0.540 156 G N 1.126 109.918 108.800 -0.013 0.000 2.304 156 G HA2 -0.285 3.675 3.960 0.000 0.000 0.252 156 G HA3 -0.285 3.675 3.960 0.000 0.000 0.252 156 G C -0.238 174.661 174.900 -0.001 0.000 1.014 156 G CA 0.218 45.315 45.100 -0.007 0.000 0.619 156 G HN 0.159 nan 8.290 nan 0.000 0.525 157 K N 1.264 121.663 120.400 -0.002 0.000 2.472 157 K HA 0.249 4.569 4.320 0.000 0.000 0.280 157 K C -1.359 175.247 176.600 0.010 0.000 1.028 157 K CA -1.203 55.089 56.287 0.009 0.000 1.045 157 K CB 0.773 33.278 32.500 0.009 0.000 0.902 157 K HN 0.144 nan 8.250 nan 0.000 0.478 158 P HA -0.087 nan 4.420 nan 0.000 0.228 158 P C -0.483 176.829 177.300 0.021 0.000 1.151 158 P CA 1.103 64.214 63.100 0.019 0.000 0.770 158 P CB 0.404 32.120 31.700 0.026 0.000 0.786 159 N N -1.585 117.131 118.700 0.027 0.000 2.494 159 N HA 0.441 5.181 4.740 0.000 0.000 0.270 159 N C -0.522 174.996 175.510 0.013 0.000 1.285 159 N CA -0.524 52.543 53.050 0.028 0.000 0.812 159 N CB 2.134 40.658 38.487 0.061 0.000 1.557 159 N HN -0.165 nan 8.380 nan 0.000 0.487 160 G N 0.200 108.995 108.800 -0.009 0.000 2.453 160 G HA2 0.596 4.557 3.960 0.000 0.000 0.323 160 G HA3 0.596 4.557 3.960 0.000 0.000 0.323 160 G C -0.279 174.604 174.900 -0.029 0.000 1.198 160 G CA -0.621 44.448 45.100 -0.052 0.000 0.959 160 G HN 0.363 nan 8.290 nan 0.000 0.482 161 L N 1.499 122.699 121.223 -0.038 0.000 2.490 161 L HA 0.208 4.548 4.340 0.000 0.000 0.274 161 L C 1.681 178.595 176.870 0.074 0.000 1.201 161 L CA -0.397 54.439 54.840 -0.006 0.000 0.869 161 L CB 0.613 42.721 42.059 0.082 0.000 1.123 161 L HN 0.742 nan 8.230 nan 0.000 0.484 162 T N -0.511 114.064 114.554 0.035 0.000 2.754 162 T HA 0.245 4.595 4.350 0.000 0.000 0.286 162 T C 1.304 176.122 174.700 0.198 0.000 0.997 162 T CA -0.514 61.660 62.100 0.123 0.000 0.982 162 T CB 0.855 69.746 68.868 0.039 0.000 1.027 162 T HN 0.425 nan 8.240 nan 0.000 0.529 163 I N 0.980 121.639 120.570 0.149 0.000 2.179 163 I HA -0.123 4.047 4.170 0.000 0.000 0.242 163 I C 2.836 178.909 176.117 -0.073 0.000 1.088 163 I CA 1.680 62.947 61.300 -0.054 0.000 1.357 163 I CB -0.574 37.376 38.000 -0.083 0.000 1.051 163 I HN 0.743 nan 8.210 nan 0.000 0.409 164 N N 0.756 119.438 118.700 -0.030 0.000 2.069 164 N HA -0.249 4.491 4.740 0.000 0.000 0.191 164 N C 1.877 177.376 175.510 -0.018 0.000 1.031 164 N CA 1.659 54.697 53.050 -0.019 0.000 0.852 164 N CB -0.089 38.401 38.487 0.005 0.000 1.018 164 N HN 0.299 nan 8.380 nan 0.000 0.423 165 Q N -1.169 118.586 119.800 -0.075 0.000 2.152 165 Q HA -0.108 4.232 4.340 0.000 0.000 0.206 165 Q C 1.964 177.893 176.000 -0.118 0.000 0.985 165 Q CA 1.515 57.187 55.803 -0.218 0.000 0.863 165 Q CB -0.316 28.046 28.738 -0.626 0.000 0.904 165 Q HN 0.552 nan 8.270 nan 0.000 0.422 166 G N 0.094 108.865 108.800 -0.049 0.000 2.459 166 G HA2 0.004 3.965 3.960 0.000 0.000 0.213 166 G HA3 0.004 3.965 3.960 0.000 0.000 0.213 166 G C 1.472 176.362 174.900 -0.016 0.000 1.155 166 G CA 0.485 45.592 45.100 0.011 0.000 0.811 166 G HN 0.381 nan 8.290 nan 0.000 0.534 167 A N 0.763 123.543 122.820 -0.066 0.000 2.024 167 A HA 0.013 4.333 4.320 0.000 0.000 0.220 167 A C 2.278 179.883 177.584 0.035 0.000 1.164 167 A CA 2.437 54.444 52.037 -0.051 0.000 0.643 167 A CB -0.605 18.353 19.000 -0.070 0.000 0.806 167 A HN 0.612 nan 8.150 nan 0.000 0.451 168 T N -4.087 110.508 114.554 0.067 0.000 3.228 168 T HA 0.399 4.749 4.350 0.000 0.000 0.278 168 T C 1.047 175.826 174.700 0.131 0.000 1.014 168 T CA 0.114 62.288 62.100 0.124 0.000 0.904 168 T CB -0.134 68.834 68.868 0.167 0.000 1.110 168 T HN 0.297 nan 8.240 nan 0.000 0.541 169 I N 1.817 122.450 120.570 0.104 0.000 3.251 169 I HA -0.015 4.155 4.170 0.000 0.000 0.277 169 I C 2.218 178.369 176.117 0.058 0.000 1.268 169 I CA 0.907 62.270 61.300 0.106 0.000 1.449 169 I CB 0.229 38.306 38.000 0.129 0.000 1.083 169 I HN 0.495 nan 8.210 nan 0.000 0.464 170 S N -1.139 114.600 115.700 0.064 0.000 2.470 170 S HA 0.052 4.522 4.470 0.000 0.000 0.222 170 S C 1.445 176.081 174.600 0.059 0.000 1.024 170 S CA 0.331 58.559 58.200 0.048 0.000 0.931 170 S CB 0.077 63.305 63.200 0.047 0.000 0.791 170 S HN 0.204 nan 8.310 nan 0.000 0.513 171 V N 2.378 122.347 119.914 0.091 0.000 2.785 171 V HA 0.083 4.203 4.120 0.000 0.000 0.226 171 V C 2.249 178.424 176.094 0.134 0.000 1.127 171 V CA 0.956 63.333 62.300 0.128 0.000 1.193 171 V CB -0.949 30.973 31.823 0.165 0.000 0.926 171 V HN 0.333 nan 8.190 nan 0.000 0.507 172 N N 0.934 119.722 118.700 0.148 0.000 2.036 172 N HA -0.130 4.610 4.740 0.000 0.000 0.195 172 N C -0.560 174.929 175.510 -0.035 0.000 1.037 172 N CA 2.141 55.286 53.050 0.158 0.000 0.855 172 N CB -1.831 36.845 38.487 0.316 0.000 1.033 172 N HN 0.376 nan 8.380 nan 0.000 0.423 173 P HA -0.039 nan 4.420 nan 0.000 0.217 173 P C 1.548 178.776 177.300 -0.121 0.000 1.150 173 P CA 0.891 63.690 63.100 -0.501 0.000 0.832 173 P CB -0.016 31.370 31.700 -0.523 0.000 0.787 174 L N -1.723 119.481 121.223 -0.032 0.000 2.156 174 L HA -0.089 4.251 4.340 0.000 0.000 0.208 174 L C 2.271 179.218 176.870 0.129 0.000 1.095 174 L CA 1.442 56.315 54.840 0.054 0.000 0.770 174 L CB -1.644 40.444 42.059 0.049 0.000 0.914 174 L HN 0.011 nan 8.230 nan 0.000 0.439 175 T N 0.308 114.930 114.554 0.114 0.000 2.684 175 T HA -0.181 4.169 4.350 0.000 0.000 0.267 175 T C 2.025 176.605 174.700 -0.201 0.000 1.036 175 T CA 1.593 63.742 62.100 0.082 0.000 1.148 175 T CB -0.135 68.813 68.868 0.133 0.000 0.863 175 T HN 0.455 nan 8.240 nan 0.000 0.436 176 A N 0.040 122.795 122.820 -0.109 0.000 1.897 176 A HA 0.011 4.331 4.320 0.000 0.000 0.215 176 A C 2.078 179.600 177.584 -0.103 0.000 1.181 176 A CA 1.175 53.127 52.037 -0.141 0.000 0.620 176 A CB -0.996 18.016 19.000 0.020 0.000 0.821 176 A HN 0.555 nan 8.150 nan 0.000 0.443 177 Y N 0.535 120.793 120.300 -0.070 0.000 2.128 177 Y HA -0.209 4.341 4.550 0.000 0.000 0.284 177 Y C 2.006 177.897 175.900 -0.016 0.000 1.154 177 Y CA 2.138 60.233 58.100 -0.009 0.000 1.149 177 Y CB -0.244 38.215 38.460 -0.001 0.000 0.976 177 Y HN 0.221 nan 8.280 nan 0.000 0.505 178 L N -0.902 120.383 121.223 0.104 0.000 2.072 178 L HA -0.240 4.101 4.340 0.000 0.000 0.205 178 L C 2.559 179.447 176.870 0.030 0.000 1.079 178 L CA 1.313 56.227 54.840 0.122 0.000 0.752 178 L CB -0.494 41.727 42.059 0.269 0.000 0.906 178 L HN 0.293 nan 8.230 nan 0.000 0.436 179 M N -0.531 118.871 119.600 -0.331 0.000 2.106 179 M HA -0.270 4.210 4.480 0.000 0.000 0.259 179 M C 2.244 178.445 176.300 -0.165 0.000 1.068 179 M CA 1.882 56.945 55.300 -0.395 0.000 1.100 179 M CB -0.387 31.812 32.600 -0.669 0.000 1.351 179 M HN 0.264 nan 8.290 nan 0.000 0.404 180 L N -0.788 120.289 121.223 -0.243 0.000 2.240 180 L HA -0.114 4.226 4.340 0.000 0.000 0.211 180 L C 2.360 179.173 176.870 -0.095 0.000 1.106 180 L CA 1.437 56.133 54.840 -0.239 0.000 0.793 180 L CB -0.494 41.403 42.059 -0.270 0.000 0.927 180 L HN 0.480 nan 8.230 nan 0.000 0.446 181 T N -7.085 107.409 114.554 -0.100 0.000 2.955 181 T HA -0.030 4.320 4.350 0.000 0.000 0.251 181 T C 1.530 176.256 174.700 0.044 0.000 1.002 181 T CA -0.082 61.990 62.100 -0.046 0.000 0.970 181 T CB -0.092 68.640 68.868 -0.226 0.000 1.091 181 T HN 0.148 nan 8.240 nan 0.000 0.495 182 H N -0.296 118.748 119.070 -0.043 0.000 2.544 182 H HA 0.356 4.912 4.556 0.000 0.000 0.269 182 H C 0.798 175.890 175.328 -0.394 0.000 0.970 182 H CA 0.556 56.478 56.048 -0.210 0.000 1.219 182 H CB 0.097 29.680 29.762 -0.299 0.000 1.421 182 H HN 0.475 nan 8.280 nan 0.000 0.555 183 Y N -1.840 118.444 120.300 -0.027 0.000 2.678 183 Y HA 0.264 4.815 4.550 0.000 0.000 0.274 183 Y C 0.218 176.078 175.900 -0.066 0.000 1.114 183 Y CA 0.518 58.583 58.100 -0.058 0.000 1.274 183 Y CB 0.702 39.170 38.460 0.013 0.000 1.438 183 Y HN -0.004 nan 8.280 nan 0.000 0.493 184 V N 1.448 121.418 119.914 0.092 0.000 2.656 184 V HA 0.398 4.518 4.120 0.000 0.000 0.307 184 V C -0.978 175.095 176.094 -0.036 0.000 1.051 184 V CA -1.153 61.157 62.300 0.018 0.000 0.893 184 V CB 1.759 33.594 31.823 0.021 0.000 0.999 184 V HN 0.165 nan 8.190 nan 0.000 0.426 185 K N 7.169 127.548 120.400 -0.035 0.000 2.284 185 K HA 0.461 4.782 4.320 0.000 0.000 0.287 185 K C -0.941 175.607 176.600 -0.085 0.000 1.081 185 K CA -0.473 55.790 56.287 -0.039 0.000 0.910 185 K CB 0.396 32.895 32.500 -0.002 0.000 1.088 185 K HN 0.758 nan 8.250 nan 0.000 0.478 186 L N 4.104 125.194 121.223 -0.222 0.000 2.305 186 L HA 0.200 4.540 4.340 0.000 0.000 0.281 186 L C 0.266 177.077 176.870 -0.097 0.000 1.085 186 L CA -0.701 53.937 54.840 -0.336 0.000 0.813 186 L CB 1.382 42.853 42.059 -0.980 0.000 1.157 186 L HN 0.615 nan 8.230 nan 0.000 0.436 187 T N 4.363 118.915 114.554 -0.004 0.000 2.738 187 T HA 0.166 4.516 4.350 0.000 0.000 0.293 187 T C -2.239 172.557 174.700 0.160 0.000 0.913 187 T CA -0.924 61.228 62.100 0.086 0.000 1.103 187 T CB 0.406 69.313 68.868 0.066 0.000 0.880 187 T HN 0.335 nan 8.240 nan 0.000 0.526 188 P HA 0.128 nan 4.420 nan 0.000 0.264 188 P C 1.148 178.516 177.300 0.114 0.000 1.183 188 P CA 0.872 64.104 63.100 0.219 0.000 0.763 188 P CB 0.256 32.036 31.700 0.134 0.000 0.807 189 G N 2.214 111.063 108.800 0.082 0.000 2.212 189 G HA2 -0.328 3.632 3.960 0.000 0.000 0.266 189 G HA3 -0.328 3.632 3.960 0.000 0.000 0.266 189 G C 0.912 175.818 174.900 0.010 0.000 0.978 189 G CA 0.790 45.903 45.100 0.021 0.000 0.632 189 G HN 0.555 nan 8.290 nan 0.000 0.537 190 K N -0.740 119.680 120.400 0.034 0.000 2.431 190 K HA 0.161 4.481 4.320 0.000 0.000 0.213 190 K C 0.185 176.815 176.600 0.049 0.000 1.258 190 K CA -0.002 56.319 56.287 0.056 0.000 0.845 190 K CB 0.341 32.894 32.500 0.088 0.000 1.498 190 K HN 0.212 nan 8.250 nan 0.000 0.451 191 D N -0.254 120.177 120.400 0.052 0.000 2.358 191 D HA 0.120 4.761 4.640 0.000 0.000 0.244 191 D C -0.648 175.669 176.300 0.028 0.000 1.163 191 D CA 0.213 54.285 54.000 0.119 0.000 0.945 191 D CB 0.562 41.382 40.800 0.032 0.000 1.152 191 D HN -0.036 nan 8.370 nan 0.000 0.451 192 W N 0.535 121.846 121.300 0.018 0.000 2.761 192 W HA 0.434 5.094 4.660 0.000 0.000 0.340 192 W C -0.364 176.208 176.519 0.088 0.000 1.072 192 W CA -1.017 56.345 57.345 0.028 0.000 1.215 192 W CB 0.692 30.161 29.460 0.014 0.000 1.420 192 W HN 0.172 nan 8.180 nan 0.000 0.519 193 F N 2.174 122.245 119.950 0.202 0.000 2.522 193 F HA 0.847 5.375 4.527 0.000 0.000 0.324 193 F C -1.156 174.772 175.800 0.214 0.000 1.077 193 F CA -1.772 56.316 58.000 0.147 0.000 0.944 193 F CB 1.260 40.289 39.000 0.048 0.000 1.175 193 F HN 0.292 nan 8.300 nan 0.000 0.468 194 I N 3.476 124.196 120.570 0.250 0.000 2.569 194 I HA 0.441 4.612 4.170 0.000 0.000 0.296 194 I C -1.502 174.769 176.117 0.257 0.000 1.028 194 I CA -0.586 60.800 61.300 0.144 0.000 1.082 194 I CB 1.956 40.043 38.000 0.145 0.000 1.264 194 I HN 0.986 nan 8.210 nan 0.000 0.429 195 Q N 4.664 124.589 119.800 0.208 0.000 2.421 195 Q HA 0.492 4.832 4.340 0.000 0.000 0.280 195 Q C -1.797 174.312 176.000 0.181 0.000 1.085 195 Q CA -1.009 54.948 55.803 0.256 0.000 0.807 195 Q CB 2.102 31.050 28.738 0.350 0.000 1.405 195 Q HN 0.725 nan 8.270 nan 0.000 0.419 196 N N -0.364 118.444 118.700 0.179 0.000 2.530 196 N HA 0.505 5.245 4.740 0.000 0.000 0.283 196 N C 0.354 175.954 175.510 0.151 0.000 1.238 196 N CA 0.042 53.171 53.050 0.132 0.000 0.971 196 N CB 0.607 39.150 38.487 0.094 0.000 1.195 196 N HN 1.023 nan 8.380 nan 0.000 0.583 197 G N -2.024 106.841 108.800 0.108 0.000 2.338 197 G HA2 -0.157 3.803 3.960 0.000 0.000 0.296 197 G HA3 -0.157 3.803 3.960 0.000 0.000 0.296 197 G C 0.880 175.856 174.900 0.127 0.000 1.040 197 G CA 0.523 45.688 45.100 0.109 0.000 1.004 197 G HN 1.021 nan 8.290 nan 0.000 0.509 198 G N -0.155 108.706 108.800 0.102 0.000 2.422 198 G HA2 -0.002 3.958 3.960 0.000 0.000 0.218 198 G HA3 -0.002 3.958 3.960 0.000 0.000 0.218 198 G C 1.782 176.726 174.900 0.074 0.000 1.146 198 G CA 1.929 47.086 45.100 0.094 0.000 0.769 198 G HN 1.530 nan 8.290 nan 0.000 0.547 199 T N -0.666 113.924 114.554 0.059 0.000 3.129 199 T HA 0.238 4.588 4.350 0.000 0.000 0.251 199 T C 1.428 176.158 174.700 0.050 0.000 1.117 199 T CA 0.574 62.698 62.100 0.041 0.000 1.034 199 T CB -0.221 68.664 68.868 0.029 0.000 0.968 199 T HN 0.354 nan 8.240 nan 0.000 0.526 200 S N 0.545 116.294 115.700 0.082 0.000 2.608 200 S HA 0.634 5.105 4.470 0.000 0.000 0.261 200 S C 1.847 176.499 174.600 0.088 0.000 1.314 200 S CA -0.325 57.936 58.200 0.101 0.000 0.992 200 S CB 0.822 64.114 63.200 0.153 0.000 0.935 200 S HN 0.415 nan 8.310 nan 0.000 0.564 201 A N 1.358 124.239 122.820 0.102 0.000 1.851 201 A HA -0.044 4.276 4.320 0.000 0.000 0.216 201 A C 2.269 179.936 177.584 0.139 0.000 1.195 201 A CA 1.943 54.022 52.037 0.070 0.000 0.622 201 A CB -1.558 17.543 19.000 0.169 0.000 0.831 201 A HN 0.848 nan 8.150 nan 0.000 0.444 202 V N -0.005 120.074 119.914 0.276 0.000 2.295 202 V HA -0.201 3.920 4.120 0.000 0.000 0.246 202 V C 2.856 179.076 176.094 0.210 0.000 1.049 202 V CA 2.040 64.518 62.300 0.297 0.000 1.024 202 V CB -1.610 30.345 31.823 0.220 0.000 0.648 202 V HN 0.658 nan 8.190 nan 0.000 0.447 203 G N -0.149 108.771 108.800 0.200 0.000 2.513 203 G HA2 -0.314 3.646 3.960 0.000 0.000 0.219 203 G HA3 -0.314 3.646 3.960 0.000 0.000 0.219 203 G C 1.653 176.628 174.900 0.125 0.000 1.160 203 G CA 1.205 46.412 45.100 0.177 0.000 0.767 203 G HN 0.494 nan 8.290 nan 0.000 0.571 204 K N -0.689 119.735 120.400 0.040 0.000 2.097 204 K HA -0.041 4.279 4.320 0.000 0.000 0.206 204 K C 2.232 178.792 176.600 -0.067 0.000 1.049 204 K CA 1.089 57.345 56.287 -0.051 0.000 0.933 204 K CB -0.288 32.120 32.500 -0.153 0.000 0.717 204 K HN 0.512 nan 8.250 nan 0.000 0.442 205 Y N 0.637 120.981 120.300 0.073 0.000 2.181 205 Y HA -0.236 4.315 4.550 0.000 0.000 0.288 205 Y C 2.531 178.461 175.900 0.049 0.000 1.146 205 Y CA 0.841 58.974 58.100 0.056 0.000 1.164 205 Y CB -0.181 38.321 38.460 0.071 0.000 0.982 205 Y HN 0.101 nan 8.280 nan 0.000 0.515 206 A N -0.598 122.356 122.820 0.222 0.000 1.933 206 A HA -0.195 4.125 4.320 0.000 0.000 0.218 206 A C 2.352 180.099 177.584 0.270 0.000 1.175 206 A CA 2.004 54.138 52.037 0.162 0.000 0.628 206 A CB -0.938 18.147 19.000 0.141 0.000 0.814 206 A HN 0.386 nan 8.150 nan 0.000 0.444 207 S N -0.291 115.553 115.700 0.240 0.000 2.348 207 S HA -0.216 4.254 4.470 0.000 0.000 0.221 207 S C 2.133 176.787 174.600 0.089 0.000 1.033 207 S CA 1.617 59.930 58.200 0.188 0.000 1.010 207 S CB -0.385 62.864 63.200 0.082 0.000 0.891 207 S HN 0.710 nan 8.310 nan 0.000 0.442 208 Q N 0.308 120.128 119.800 0.034 0.000 2.096 208 Q HA -0.073 4.267 4.340 0.000 0.000 0.204 208 Q C 2.137 178.051 176.000 -0.144 0.000 0.982 208 Q CA 1.320 57.086 55.803 -0.062 0.000 0.850 208 Q CB -0.357 28.346 28.738 -0.059 0.000 0.901 208 Q HN 0.527 nan 8.270 nan 0.000 0.422 209 I N 0.082 120.611 120.570 -0.068 0.000 2.286 209 I HA -0.154 4.016 4.170 0.000 0.000 0.245 209 I C 2.339 178.375 176.117 -0.136 0.000 1.104 209 I CA 0.931 62.155 61.300 -0.127 0.000 1.397 209 I CB -0.554 37.491 38.000 0.075 0.000 1.072 209 I HN 0.272 nan 8.210 nan 0.000 0.417 210 G N 0.951 109.779 108.800 0.046 0.000 2.440 210 G HA2 -0.317 3.643 3.960 0.000 0.000 0.218 210 G HA3 -0.317 3.643 3.960 0.000 0.000 0.218 210 G C 1.712 176.581 174.900 -0.050 0.000 1.154 210 G CA 0.954 46.166 45.100 0.188 0.000 0.767 210 G HN 0.321 nan 8.290 nan 0.000 0.552 211 K N 0.010 120.358 120.400 -0.088 0.000 2.025 211 K HA 0.067 4.387 4.320 0.000 0.000 0.207 211 K C 2.547 179.013 176.600 -0.224 0.000 1.049 211 K CA 0.765 56.963 56.287 -0.149 0.000 0.933 211 K CB -0.278 32.139 32.500 -0.139 0.000 0.714 211 K HN 0.341 nan 8.250 nan 0.000 0.438 212 L N 0.970 122.007 121.223 -0.309 0.000 2.042 212 L HA -0.174 4.167 4.340 0.000 0.000 0.210 212 L C 2.126 178.830 176.870 -0.276 0.000 1.076 212 L CA 1.090 55.713 54.840 -0.362 0.000 0.749 212 L CB -0.192 41.454 42.059 -0.688 0.000 0.893 212 L HN 0.218 nan 8.230 nan 0.000 0.432 213 L N -0.707 120.275 121.223 -0.401 0.000 2.591 213 L HA 0.057 4.397 4.340 0.000 0.000 0.228 213 L C 0.515 177.038 176.870 -0.578 0.000 1.133 213 L CA -0.123 54.371 54.840 -0.577 0.000 0.880 213 L CB -0.356 41.026 42.059 -1.128 0.000 1.033 213 L HN 0.384 nan 8.230 nan 0.000 0.450 214 N N 0.476 118.960 118.700 -0.361 0.000 2.756 214 N HA -0.239 4.501 4.740 0.000 0.000 0.248 214 N C -0.569 174.930 175.510 -0.018 0.000 1.062 214 N CA 0.451 53.400 53.050 -0.169 0.000 0.696 214 N CB -1.511 36.922 38.487 -0.091 0.000 0.946 214 N HN 0.250 nan 8.380 nan 0.000 0.548 215 F N 0.157 120.079 119.950 -0.046 0.000 2.385 215 F HA 0.387 4.914 4.527 0.000 0.000 0.336 215 F C 1.264 176.944 175.800 -0.200 0.000 1.100 215 F CA -1.331 56.641 58.000 -0.047 0.000 1.116 215 F CB 0.718 39.800 39.000 0.136 0.000 1.166 215 F HN -0.036 nan 8.300 nan 0.000 0.511 216 N N 1.506 120.069 118.700 -0.228 0.000 2.530 216 N HA 0.252 4.992 4.740 0.000 0.000 0.273 216 N C -0.595 174.541 175.510 -0.623 0.000 1.173 216 N CA -0.084 52.478 53.050 -0.813 0.000 0.967 216 N CB 1.622 38.918 38.487 -1.984 0.000 1.109 216 N HN 0.680 nan 8.380 nan 0.000 0.453 217 S N 0.580 115.918 115.700 -0.604 0.000 2.556 217 S HA 0.686 5.157 4.470 0.000 0.000 0.271 217 S C -0.910 173.608 174.600 -0.137 0.000 1.135 217 S CA -0.896 56.976 58.200 -0.547 0.000 0.858 217 S CB 1.004 63.562 63.200 -1.071 0.000 1.114 217 S HN 0.353 nan 8.310 nan 0.000 0.468 218 I N 1.960 122.481 120.570 -0.081 0.000 2.436 218 I HA 0.440 4.610 4.170 0.000 0.000 0.289 218 I C -0.290 175.816 176.117 -0.019 0.000 1.010 218 I CA -0.423 60.898 61.300 0.036 0.000 1.098 218 I CB 2.229 40.340 38.000 0.186 0.000 1.266 218 I HN 0.617 nan 8.210 nan 0.000 0.434 219 S N 4.808 120.512 115.700 0.006 0.000 2.437 219 S HA 0.520 4.990 4.470 0.000 0.000 0.305 219 S C -0.318 174.321 174.600 0.064 0.000 1.109 219 S CA -0.568 57.656 58.200 0.041 0.000 1.099 219 S CB 1.646 64.865 63.200 0.033 0.000 1.004 219 S HN 0.275 nan 8.310 nan 0.000 0.475 220 V N 5.922 125.883 119.914 0.078 0.000 2.394 220 V HA 0.537 4.657 4.120 0.000 0.000 0.282 220 V C 0.187 176.313 176.094 0.054 0.000 1.031 220 V CA -0.524 61.816 62.300 0.066 0.000 0.881 220 V CB 0.599 32.464 31.823 0.069 0.000 0.982 220 V HN 0.806 nan 8.190 nan 0.000 0.451 221 I N 1.999 122.590 120.570 0.034 0.000 3.108 221 I HA 0.720 4.890 4.170 0.000 0.000 0.312 221 I C -0.132 175.992 176.117 0.012 0.000 1.095 221 I CA -1.331 59.985 61.300 0.027 0.000 1.000 221 I CB 2.087 40.101 38.000 0.022 0.000 1.229 221 I HN 0.361 nan 8.210 nan 0.000 0.454 222 R N 1.497 122.004 120.500 0.012 0.000 2.531 222 R HA 0.211 4.552 4.340 0.000 0.000 0.273 222 R C -0.629 175.669 176.300 -0.003 0.000 1.070 222 R CA -0.507 55.595 56.100 0.003 0.000 1.112 222 R CB 0.518 30.822 30.300 0.007 0.000 1.049 222 R HN 0.607 nan 8.270 nan 0.000 0.508 223 D N 1.346 121.740 120.400 -0.011 0.000 2.357 223 D HA 0.131 4.771 4.640 0.000 0.000 0.242 223 D C -0.428 175.867 176.300 -0.007 0.000 1.153 223 D CA 0.132 54.124 54.000 -0.014 0.000 0.918 223 D CB 0.722 41.510 40.800 -0.021 0.000 1.181 223 D HN 0.462 nan 8.370 nan 0.000 0.435 224 R N 1.207 121.703 120.500 -0.007 0.000 2.687 224 R HA 0.231 4.572 4.340 0.000 0.000 0.265 224 R C -2.546 173.752 176.300 -0.003 0.000 1.048 224 R CA -1.146 54.952 56.100 -0.003 0.000 0.884 224 R CB -0.028 30.272 30.300 -0.000 0.000 1.258 224 R HN 0.120 nan 8.270 nan 0.000 0.469 225 P HA -0.184 nan 4.420 nan 0.000 0.216 225 P C 0.254 177.553 177.300 -0.002 0.000 1.154 225 P CA 1.629 64.727 63.100 -0.002 0.000 0.865 225 P CB 0.010 31.709 31.700 -0.002 0.000 0.789 226 N N -0.187 118.513 118.700 -0.001 0.000 2.758 226 N HA 0.014 4.754 4.740 0.000 0.000 0.293 226 N C 1.025 176.535 175.510 -0.001 0.000 1.273 226 N CA -0.197 52.853 53.050 -0.001 0.000 1.022 226 N CB -0.605 37.881 38.487 -0.001 0.000 1.334 226 N HN 0.041 nan 8.380 nan 0.000 0.519 227 L N 0.775 121.997 121.223 -0.001 0.000 2.012 227 L HA -0.172 4.168 4.340 0.000 0.000 0.210 227 L C 1.234 178.104 176.870 0.001 0.000 1.073 227 L CA 2.007 56.846 54.840 -0.001 0.000 0.748 227 L CB -0.567 41.490 42.059 -0.003 0.000 0.891 227 L HN 0.066 nan 8.230 nan 0.000 0.431 228 D N -0.384 120.017 120.400 0.002 0.000 2.106 228 D HA -0.278 4.362 4.640 0.000 0.000 0.191 228 D C 2.082 178.382 176.300 0.000 0.000 0.997 228 D CA 1.794 55.795 54.000 0.003 0.000 0.834 228 D CB -0.193 40.609 40.800 0.004 0.000 0.956 228 D HN 0.661 nan 8.370 nan 0.000 0.448 229 E N 0.482 120.681 120.200 -0.001 0.000 2.072 229 E HA -0.135 4.215 4.350 0.000 0.000 0.191 229 E C 2.028 178.625 176.600 -0.004 0.000 0.985 229 E CA 0.882 57.280 56.400 -0.003 0.000 0.801 229 E CB 0.074 29.772 29.700 -0.002 0.000 0.750 229 E HN 0.061 nan 8.360 nan 0.000 0.452 230 V N 0.824 120.736 119.914 -0.002 0.000 2.358 230 V HA -0.205 3.915 4.120 0.000 0.000 0.246 230 V C 2.512 178.604 176.094 -0.004 0.000 1.047 230 V CA 1.262 63.561 62.300 -0.002 0.000 1.035 230 V CB -0.133 31.691 31.823 0.001 0.000 0.658 230 V HN 0.203 nan 8.190 nan 0.000 0.452 231 V N 0.452 120.365 119.914 -0.003 0.000 2.252 231 V HA -0.327 3.793 4.120 0.000 0.000 0.249 231 V C 2.743 178.830 176.094 -0.012 0.000 1.056 231 V CA 2.350 64.648 62.300 -0.005 0.000 1.022 231 V CB -1.098 30.725 31.823 0.001 0.000 0.641 231 V HN 0.575 nan 8.190 nan 0.000 0.445 232 A N -1.073 121.741 122.820 -0.010 0.000 1.940 232 A HA -0.228 4.092 4.320 0.000 0.000 0.219 232 A C 2.477 180.050 177.584 -0.019 0.000 1.176 232 A CA 2.330 54.358 52.037 -0.015 0.000 0.631 232 A CB -0.670 18.324 19.000 -0.011 0.000 0.814 232 A HN 0.511 nan 8.150 nan 0.000 0.446 233 S N -0.321 115.370 115.700 -0.016 0.000 2.355 233 S HA -0.057 4.413 4.470 0.000 0.000 0.222 233 S C 1.811 176.398 174.600 -0.022 0.000 1.031 233 S CA 1.433 59.623 58.200 -0.017 0.000 0.993 233 S CB -0.403 62.789 63.200 -0.014 0.000 0.859 233 S HN 0.531 nan 8.310 nan 0.000 0.453 234 L N 1.057 122.269 121.223 -0.019 0.000 2.141 234 L HA -0.057 4.283 4.340 0.000 0.000 0.209 234 L C 2.387 179.238 176.870 -0.032 0.000 1.094 234 L CA 1.005 55.833 54.840 -0.020 0.000 0.763 234 L CB -0.438 41.616 42.059 -0.009 0.000 0.908 234 L HN 0.240 nan 8.230 nan 0.000 0.437 235 K N 0.002 120.380 120.400 -0.038 0.000 2.097 235 K HA -0.217 4.103 4.320 0.000 0.000 0.205 235 K C 2.019 178.588 176.600 -0.052 0.000 1.050 235 K CA 1.261 57.517 56.287 -0.052 0.000 0.938 235 K CB -0.019 32.449 32.500 -0.053 0.000 0.718 235 K HN 0.098 nan 8.250 nan 0.000 0.442 236 E N 1.599 121.773 120.200 -0.042 0.000 2.077 236 E HA -0.132 4.218 4.350 0.000 0.000 0.193 236 E C 1.836 178.406 176.600 -0.049 0.000 0.989 236 E CA 1.105 57.480 56.400 -0.042 0.000 0.800 236 E CB -0.269 29.412 29.700 -0.032 0.000 0.746 236 E HN 0.185 nan 8.360 nan 0.000 0.452 237 L N -1.482 119.714 121.223 -0.045 0.000 2.187 237 L HA -0.068 4.272 4.340 0.000 0.000 0.213 237 L C 1.650 178.487 176.870 -0.055 0.000 1.100 237 L CA 1.265 56.076 54.840 -0.048 0.000 0.765 237 L CB -0.167 41.870 42.059 -0.038 0.000 0.904 237 L HN 0.530 nan 8.230 nan 0.000 0.437 238 G N -1.870 106.896 108.800 -0.056 0.000 2.559 238 G HA2 -0.059 3.901 3.960 0.000 0.000 0.202 238 G HA3 -0.059 3.901 3.960 0.000 0.000 0.202 238 G C 0.166 175.022 174.900 -0.073 0.000 0.992 238 G CA -0.219 44.841 45.100 -0.066 0.000 0.764 238 G HN 0.375 nan 8.290 nan 0.000 0.525 239 A N 0.891 123.669 122.820 -0.070 0.000 2.362 239 A HA 0.659 4.979 4.320 0.000 0.000 0.276 239 A C 1.493 178.997 177.584 -0.135 0.000 1.153 239 A CA 1.160 53.137 52.037 -0.100 0.000 0.813 239 A CB 0.393 19.353 19.000 -0.067 0.000 1.081 239 A HN 0.536 nan 8.150 nan 0.000 0.507 240 T N 1.656 116.095 114.554 -0.190 0.000 2.777 240 T HA -0.017 4.333 4.350 0.000 0.000 0.266 240 T C 0.633 175.197 174.700 -0.227 0.000 1.040 240 T CA 1.266 63.233 62.100 -0.221 0.000 1.141 240 T CB -0.058 68.609 68.868 -0.335 0.000 0.868 240 T HN 0.709 nan 8.240 nan 0.000 0.444 241 Q N 0.154 119.830 119.800 -0.207 0.000 2.389 241 Q HA 0.626 4.966 4.340 0.000 0.000 0.277 241 Q C -1.481 174.453 176.000 -0.110 0.000 1.082 241 Q CA -0.519 55.109 55.803 -0.291 0.000 0.810 241 Q CB 3.105 31.419 28.738 -0.707 0.000 1.374 241 Q HN 0.087 nan 8.270 nan 0.000 0.422 242 V N 2.951 122.835 119.914 -0.050 0.000 2.656 242 V HA 0.671 4.792 4.120 0.000 0.000 0.307 242 V C -0.104 176.039 176.094 0.082 0.000 1.051 242 V CA -0.765 61.548 62.300 0.021 0.000 0.893 242 V CB 2.028 33.853 31.823 0.004 0.000 0.999 242 V HN 0.754 nan 8.190 nan 0.000 0.426 243 I N 0.847 121.468 120.570 0.085 0.000 2.969 243 I HA 0.843 5.013 4.170 0.000 0.000 0.307 243 I C 0.180 176.291 176.117 -0.010 0.000 1.149 243 I CA -0.584 60.742 61.300 0.044 0.000 1.008 243 I CB 2.624 40.679 38.000 0.092 0.000 1.232 243 I HN 0.663 nan 8.210 nan 0.000 0.435 244 T N -0.702 113.807 114.554 -0.075 0.000 2.816 244 T HA 0.287 4.637 4.350 0.000 0.000 0.282 244 T C 0.791 175.456 174.700 -0.058 0.000 0.993 244 T CA -0.360 61.703 62.100 -0.061 0.000 0.994 244 T CB 1.261 70.081 68.868 -0.080 0.000 1.025 244 T HN 0.703 nan 8.240 nan 0.000 0.529 245 E N 0.607 120.787 120.200 -0.035 0.000 2.204 245 E HA -0.124 4.226 4.350 0.000 0.000 0.195 245 E C 1.657 178.227 176.600 -0.050 0.000 0.990 245 E CA 1.043 57.426 56.400 -0.028 0.000 0.821 245 E CB -0.169 29.523 29.700 -0.013 0.000 0.750 245 E HN 0.659 nan 8.360 nan 0.000 0.477 246 D N 0.913 121.272 120.400 -0.069 0.000 2.097 246 D HA -0.146 4.494 4.640 0.000 0.000 0.197 246 D C 1.990 178.212 176.300 -0.130 0.000 0.984 246 D CA 0.889 54.840 54.000 -0.082 0.000 0.826 246 D CB -0.179 40.575 40.800 -0.077 0.000 0.973 246 D HN 0.276 nan 8.370 nan 0.000 0.460 247 Q N 0.483 120.143 119.800 -0.233 0.000 2.135 247 Q HA -0.178 4.162 4.340 0.000 0.000 0.204 247 Q C 1.949 177.841 176.000 -0.180 0.000 0.981 247 Q CA 1.070 56.614 55.803 -0.432 0.000 0.856 247 Q CB -0.140 28.037 28.738 -0.935 0.000 0.902 247 Q HN 0.133 nan 8.270 nan 0.000 0.425 248 N N 0.913 119.557 118.700 -0.093 0.000 2.223 248 N HA -0.156 4.584 4.740 0.000 0.000 0.185 248 N C 0.855 176.361 175.510 -0.006 0.000 1.016 248 N CA 1.507 54.552 53.050 -0.007 0.000 0.863 248 N CB -0.136 38.352 38.487 0.002 0.000 0.983 248 N HN 0.304 nan 8.380 nan 0.000 0.429 249 N N -1.132 117.553 118.700 -0.025 0.000 2.409 249 N HA -0.048 4.692 4.740 0.000 0.000 0.179 249 N C -0.075 175.430 175.510 -0.009 0.000 1.032 249 N CA 0.049 53.088 53.050 -0.019 0.000 0.898 249 N CB 0.013 38.486 38.487 -0.023 0.000 0.971 249 N HN 0.012 nan 8.380 nan 0.000 0.441 250 S N 0.997 116.698 115.700 0.000 0.000 2.455 250 S HA 0.122 4.592 4.470 0.000 0.000 0.278 250 S C 1.176 175.806 174.600 0.051 0.000 1.216 250 S CA -0.572 57.643 58.200 0.026 0.000 1.055 250 S CB 0.922 64.144 63.200 0.038 0.000 0.939 250 S HN 0.219 nan 8.310 nan 0.000 0.494 251 R N 3.653 124.164 120.500 0.018 0.000 2.073 251 R HA -0.083 4.257 4.340 0.000 0.000 0.234 251 R C 1.591 177.890 176.300 -0.001 0.000 1.134 251 R CA 1.591 57.690 56.100 -0.001 0.000 0.952 251 R CB -0.243 30.049 30.300 -0.014 0.000 0.850 251 R HN 0.669 nan 8.270 nan 0.000 0.433 252 E N -0.073 120.137 120.200 0.016 0.000 2.130 252 E HA -0.235 4.115 4.350 0.000 0.000 0.196 252 E C 1.615 178.229 176.600 0.024 0.000 0.998 252 E CA 1.228 57.637 56.400 0.014 0.000 0.806 252 E CB -0.278 29.440 29.700 0.030 0.000 0.738 252 E HN 0.365 nan 8.360 nan 0.000 0.459 253 F N 0.738 120.629 119.950 -0.098 0.000 2.512 253 F HA 0.108 4.635 4.527 0.000 0.000 0.296 253 F C 2.091 177.775 175.800 -0.194 0.000 1.110 253 F CA 0.914 58.833 58.000 -0.135 0.000 1.446 253 F CB -0.308 38.627 39.000 -0.110 0.000 1.092 253 F HN -0.000 nan 8.300 nan 0.000 0.554 254 G N 1.601 110.337 108.800 -0.107 0.000 2.649 254 G HA2 -0.330 3.630 3.960 0.000 0.000 0.220 254 G HA3 -0.330 3.630 3.960 0.000 0.000 0.220 254 G C -0.550 174.146 174.900 -0.340 0.000 1.189 254 G CA 1.302 46.291 45.100 -0.185 0.000 0.777 254 G HN 0.284 nan 8.290 nan 0.000 0.602 255 P HA -0.041 nan 4.420 nan 0.000 0.216 255 P C 2.022 179.023 177.300 -0.498 0.000 1.150 255 P CA 1.789 64.688 63.100 -0.335 0.000 0.837 255 P CB -0.273 31.277 31.700 -0.250 0.000 0.786 256 T N -0.671 113.446 114.554 -0.729 0.000 2.759 256 T HA -0.136 4.214 4.350 0.000 0.000 0.269 256 T C 1.699 175.565 174.700 -1.391 0.000 1.042 256 T CA 1.131 62.606 62.100 -1.041 0.000 1.140 256 T CB -0.800 67.225 68.868 -1.404 0.000 0.864 256 T HN 0.099 nan 8.240 nan 0.000 0.455 257 I N 0.422 120.268 120.570 -1.206 0.000 2.233 257 I HA -0.122 4.048 4.170 0.000 0.000 0.243 257 I C 2.530 178.326 176.117 -0.535 0.000 1.093 257 I CA 1.176 61.929 61.300 -0.911 0.000 1.380 257 I CB -0.270 37.444 38.000 -0.478 0.000 1.067 257 I HN 0.148 nan 8.210 nan 0.000 0.413 258 K N 0.713 120.857 120.400 -0.426 0.000 2.113 258 K HA -0.236 4.084 4.320 0.000 0.000 0.208 258 K C 1.974 178.411 176.600 -0.272 0.000 1.047 258 K CA 1.603 57.713 56.287 -0.295 0.000 0.928 258 K CB -0.184 32.177 32.500 -0.232 0.000 0.716 258 K HN 0.399 nan 8.250 nan 0.000 0.446 259 E N -0.195 119.801 120.200 -0.340 0.000 2.031 259 E HA -0.182 4.168 4.350 0.000 0.000 0.193 259 E C 1.900 178.450 176.600 -0.084 0.000 0.994 259 E CA 1.035 57.299 56.400 -0.227 0.000 0.800 259 E CB -0.078 29.460 29.700 -0.270 0.000 0.752 259 E HN 0.353 nan 8.360 nan 0.000 0.447 260 W N 0.724 121.900 121.300 -0.207 0.000 2.290 260 W HA -0.227 4.433 4.660 0.000 0.000 0.318 260 W C 2.087 178.471 176.519 -0.226 0.000 1.248 260 W CA 0.903 58.135 57.345 -0.188 0.000 1.263 260 W CB -1.103 28.159 29.460 -0.331 0.000 1.147 260 W HN 0.165 nan 8.180 nan 0.000 0.494 261 I N -0.389 120.041 120.570 -0.234 0.000 2.235 261 I HA -0.246 3.924 4.170 0.000 0.000 0.241 261 I C 2.561 178.662 176.117 -0.026 0.000 1.085 261 I CA 1.320 62.413 61.300 -0.345 0.000 1.378 261 I CB -0.725 36.964 38.000 -0.518 0.000 1.076 261 I HN -0.152 nan 8.210 nan 0.000 0.415 262 K N 0.637 121.009 120.400 -0.047 0.000 2.044 262 K HA -0.258 4.062 4.320 0.000 0.000 0.210 262 K C 2.226 178.858 176.600 0.053 0.000 1.049 262 K CA 1.581 57.867 56.287 -0.002 0.000 0.927 262 K CB -0.004 32.476 32.500 -0.034 0.000 0.713 262 K HN 0.230 nan 8.250 nan 0.000 0.443 263 Q N 0.163 120.008 119.800 0.074 0.000 2.170 263 Q HA -0.110 4.230 4.340 0.000 0.000 0.203 263 Q C 2.074 178.166 176.000 0.153 0.000 0.976 263 Q CA 1.762 57.629 55.803 0.107 0.000 0.858 263 Q CB -0.186 28.627 28.738 0.126 0.000 0.907 263 Q HN 0.472 nan 8.270 nan 0.000 0.433 264 S N -1.415 114.426 115.700 0.235 0.000 2.522 264 S HA 0.097 4.567 4.470 0.000 0.000 0.227 264 S C 1.612 176.331 174.600 0.197 0.000 0.986 264 S CA 0.878 59.247 58.200 0.282 0.000 0.929 264 S CB 0.075 63.615 63.200 0.567 0.000 0.769 264 S HN 0.481 nan 8.310 nan 0.000 0.529 265 G N 0.546 109.442 108.800 0.159 0.000 2.284 265 G HA2 -0.190 3.770 3.960 0.000 0.000 0.261 265 G HA3 -0.190 3.770 3.960 0.000 0.000 0.261 265 G C 0.518 175.496 174.900 0.131 0.000 0.997 265 G CA 0.217 45.387 45.100 0.117 0.000 0.621 265 G HN 1.106 nan 8.290 nan 0.000 0.534 266 G N -0.718 108.203 108.800 0.202 0.000 2.531 266 G HA2 0.654 4.614 3.960 0.000 0.000 0.281 266 G HA3 0.654 4.614 3.960 0.000 0.000 0.281 266 G C -0.382 174.653 174.900 0.224 0.000 1.382 266 G CA -0.016 45.215 45.100 0.219 0.000 1.045 266 G HN 0.492 nan 8.290 nan 0.000 0.533 267 E N -1.513 118.830 120.200 0.238 0.000 2.393 267 E HA 0.511 4.861 4.350 0.000 0.000 0.273 267 E C -0.837 175.895 176.600 0.219 0.000 0.918 267 E CA -1.049 55.448 56.400 0.163 0.000 0.773 267 E CB 2.332 32.089 29.700 0.095 0.000 1.275 267 E HN 0.546 nan 8.360 nan 0.000 0.451 268 A N 2.075 124.960 122.820 0.109 0.000 2.539 268 A HA 0.153 4.473 4.320 0.000 0.000 0.306 268 A C 0.376 178.039 177.584 0.130 0.000 1.392 268 A CA 0.036 52.158 52.037 0.141 0.000 1.060 268 A CB -0.156 18.866 19.000 0.037 0.000 1.134 268 A HN 0.544 nan 8.150 nan 0.000 0.542 269 K N 1.050 121.537 120.400 0.145 0.000 2.354 269 K HA 0.220 4.540 4.320 0.000 0.000 0.194 269 K C -0.487 176.180 176.600 0.112 0.000 1.045 269 K CA 0.199 56.550 56.287 0.105 0.000 1.026 269 K CB 0.362 32.899 32.500 0.061 0.000 0.866 269 K HN 0.515 nan 8.250 nan 0.000 0.530 270 L N 0.495 121.808 121.223 0.150 0.000 2.438 270 L HA 0.500 4.840 4.340 0.000 0.000 0.270 270 L C -1.768 175.233 176.870 0.219 0.000 0.972 270 L CA -0.735 54.194 54.840 0.147 0.000 0.831 270 L CB 1.781 43.894 42.059 0.091 0.000 1.273 270 L HN -0.040 nan 8.230 nan 0.000 0.405 271 A N 5.864 128.806 122.820 0.204 0.000 2.318 271 A HA 0.791 5.111 4.320 0.000 0.000 0.324 271 A C -1.268 176.439 177.584 0.205 0.000 1.170 271 A CA -0.492 51.682 52.037 0.227 0.000 0.810 271 A CB 0.729 19.870 19.000 0.235 0.000 1.198 271 A HN 0.684 nan 8.150 nan 0.000 0.484 272 L N 2.808 124.178 121.223 0.244 0.000 2.276 272 L HA 0.379 4.719 4.340 0.000 0.000 0.286 272 L C -0.202 176.847 176.870 0.298 0.000 1.024 272 L CA -0.619 54.375 54.840 0.256 0.000 0.826 272 L CB 1.321 43.522 42.059 0.236 0.000 1.211 272 L HN 0.808 nan 8.230 nan 0.000 0.422 273 N N 2.679 121.544 118.700 0.276 0.000 2.417 273 N HA 0.373 5.113 4.740 0.000 0.000 0.274 273 N C -0.074 175.423 175.510 -0.022 0.000 0.987 273 N CA -0.731 52.410 53.050 0.152 0.000 0.912 273 N CB 1.412 39.967 38.487 0.114 0.000 1.177 273 N HN 0.636 nan 8.380 nan 0.000 0.490 274 C N 1.791 121.015 119.300 -0.126 0.000 3.101 274 C HA 0.547 5.007 4.460 0.000 0.000 0.253 274 C C 0.662 175.564 174.990 -0.147 0.000 1.754 274 C CA -0.470 58.333 59.018 -0.359 0.000 1.756 274 C CB -1.466 25.875 27.740 -0.665 0.000 3.227 274 C HN 0.473 nan 8.230 nan 0.000 0.483 275 V N 0.878 120.756 119.914 -0.060 0.000 3.058 275 V HA 0.676 4.796 4.120 0.000 0.000 0.233 275 V C 1.688 177.774 176.094 -0.012 0.000 1.255 275 V CA 1.457 63.744 62.300 -0.022 0.000 1.267 275 V CB -0.416 31.410 31.823 0.005 0.000 1.049 275 V HN 1.135 nan 8.190 nan 0.000 0.486 276 G N -0.299 108.498 108.800 -0.004 0.000 2.725 276 G HA2 0.327 4.288 3.960 0.000 0.000 0.220 276 G HA3 0.327 4.288 3.960 0.000 0.000 0.220 276 G C 0.618 175.519 174.900 0.002 0.000 1.357 276 G CA -0.316 44.785 45.100 0.002 0.000 0.866 276 G HN 1.778 nan 8.290 nan 0.000 0.548 277 G N -0.631 108.168 108.800 -0.002 0.000 2.574 277 G HA2 -0.272 3.688 3.960 0.000 0.000 0.286 277 G HA3 -0.272 3.688 3.960 0.000 0.000 0.286 277 G C 1.204 176.099 174.900 -0.009 0.000 1.212 277 G CA 1.300 46.395 45.100 -0.007 0.000 0.979 277 G HN 1.471 nan 8.290 nan 0.000 0.557 278 K N -0.163 120.230 120.400 -0.010 0.000 2.074 278 K HA -0.091 4.229 4.320 0.000 0.000 0.209 278 K C 3.023 179.615 176.600 -0.013 0.000 1.048 278 K CA 1.872 58.151 56.287 -0.014 0.000 0.926 278 K CB -0.463 32.029 32.500 -0.012 0.000 0.713 278 K HN 0.383 nan 8.250 nan 0.000 0.444 279 S N 0.676 116.374 115.700 -0.004 0.000 2.359 279 S HA -0.167 4.304 4.470 0.000 0.000 0.224 279 S C 2.035 176.639 174.600 0.008 0.000 1.035 279 S CA 2.067 60.270 58.200 0.005 0.000 1.018 279 S CB -0.247 62.962 63.200 0.015 0.000 0.876 279 S HN 0.476 nan 8.310 nan 0.000 0.448 280 S N 0.288 115.992 115.700 0.007 0.000 2.368 280 S HA -0.103 4.367 4.470 0.000 0.000 0.225 280 S C 1.975 176.558 174.600 -0.029 0.000 1.030 280 S CA 1.695 59.903 58.200 0.014 0.000 0.999 280 S CB -1.510 61.708 63.200 0.029 0.000 0.844 280 S HN 0.571 nan 8.310 nan 0.000 0.459 281 T N 2.102 116.626 114.554 -0.049 0.000 2.684 281 T HA -0.011 4.339 4.350 0.000 0.000 0.267 281 T C 2.029 176.664 174.700 -0.109 0.000 1.036 281 T CA 1.605 63.645 62.100 -0.099 0.000 1.148 281 T CB -1.214 67.610 68.868 -0.072 0.000 0.863 281 T HN 0.648 nan 8.240 nan 0.000 0.436 282 G N 1.955 110.719 108.800 -0.060 0.000 2.404 282 G HA2 -0.137 3.823 3.960 0.000 0.000 0.215 282 G HA3 -0.137 3.823 3.960 0.000 0.000 0.215 282 G C 1.622 176.500 174.900 -0.037 0.000 1.174 282 G CA 0.943 46.016 45.100 -0.044 0.000 0.780 282 G HN 0.680 nan 8.290 nan 0.000 0.537 283 I N -0.981 119.583 120.570 -0.011 0.000 2.394 283 I HA 0.145 4.315 4.170 0.000 0.000 0.251 283 I C 2.746 178.850 176.117 -0.022 0.000 1.136 283 I CA 1.377 62.688 61.300 0.019 0.000 1.425 283 I CB -0.292 37.750 38.000 0.070 0.000 1.079 283 I HN 0.128 nan 8.210 nan 0.000 0.425 284 A N 1.730 124.485 122.820 -0.108 0.000 1.933 284 A HA -0.119 4.201 4.320 0.000 0.000 0.218 284 A C 2.471 179.853 177.584 -0.337 0.000 1.175 284 A CA 1.307 53.156 52.037 -0.313 0.000 0.628 284 A CB -0.651 17.951 19.000 -0.663 0.000 0.814 284 A HN 0.462 nan 8.150 nan 0.000 0.444 285 R N -0.436 119.922 120.500 -0.237 0.000 2.189 285 R HA -0.054 4.286 4.340 0.000 0.000 0.223 285 R C 1.375 177.607 176.300 -0.113 0.000 1.092 285 R CA 1.362 57.353 56.100 -0.181 0.000 0.989 285 R CB -0.159 30.063 30.300 -0.131 0.000 0.876 285 R HN 0.484 nan 8.270 nan 0.000 0.457 286 K N 0.254 120.608 120.400 -0.076 0.000 2.444 286 K HA 0.145 4.465 4.320 0.000 0.000 0.193 286 K C 0.251 176.829 176.600 -0.036 0.000 1.024 286 K CA 0.047 56.302 56.287 -0.055 0.000 1.077 286 K CB 0.276 32.760 32.500 -0.026 0.000 0.833 286 K HN 0.037 nan 8.250 nan 0.000 0.517 287 L N 2.069 123.287 121.223 -0.007 0.000 2.426 287 L HA 0.076 4.416 4.340 0.000 0.000 0.271 287 L C 0.245 177.129 176.870 0.022 0.000 1.169 287 L CA -0.562 54.304 54.840 0.044 0.000 0.836 287 L CB 0.237 42.375 42.059 0.131 0.000 1.112 287 L HN 0.095 nan 8.230 nan 0.000 0.465 288 N N 1.382 120.099 118.700 0.027 0.000 2.267 288 N HA -0.030 4.710 4.740 0.000 0.000 0.226 288 N C -0.103 175.446 175.510 0.065 0.000 1.314 288 N CA 0.000 53.068 53.050 0.030 0.000 0.887 288 N CB 0.118 38.624 38.487 0.031 0.000 1.120 288 N HN 0.503 nan 8.380 nan 0.000 0.440 289 N N 1.837 120.573 118.700 0.060 0.000 2.374 289 N HA 0.009 4.749 4.740 0.000 0.000 0.241 289 N C -0.077 175.487 175.510 0.090 0.000 1.262 289 N CA 0.308 53.407 53.050 0.082 0.000 0.880 289 N CB -0.115 38.413 38.487 0.068 0.000 1.105 289 N HN 0.471 nan 8.380 nan 0.000 0.438 290 N N -2.142 116.621 118.700 0.105 0.000 2.782 290 N HA -0.138 4.603 4.740 0.000 0.000 0.251 290 N C 0.281 175.841 175.510 0.082 0.000 1.101 290 N CA 1.089 54.189 53.050 0.083 0.000 0.764 290 N CB -1.780 36.742 38.487 0.059 0.000 1.122 290 N HN 0.697 nan 8.380 nan 0.000 0.561 291 G N 0.361 109.246 108.800 0.142 0.000 2.554 291 G HA2 0.365 4.325 3.960 0.000 0.000 0.238 291 G HA3 0.365 4.325 3.960 0.000 0.000 0.238 291 G C 0.072 174.999 174.900 0.044 0.000 1.259 291 G CA -0.242 44.958 45.100 0.167 0.000 0.843 291 G HN 0.256 nan 8.290 nan 0.000 0.582 292 L N 2.303 123.540 121.223 0.022 0.000 2.333 292 L HA 0.686 5.026 4.340 0.000 0.000 0.280 292 L C -0.069 176.788 176.870 -0.020 0.000 1.004 292 L CA -0.901 53.880 54.840 -0.100 0.000 0.820 292 L CB 1.878 43.912 42.059 -0.042 0.000 1.247 292 L HN 0.603 nan 8.230 nan 0.000 0.416 293 M N 5.700 125.231 119.600 -0.115 0.000 2.264 293 M HA 0.516 4.996 4.480 0.000 0.000 0.352 293 M C -1.698 174.621 176.300 0.032 0.000 1.173 293 M CA -0.407 54.951 55.300 0.096 0.000 1.075 293 M CB 0.937 33.733 32.600 0.328 0.000 1.621 293 M HN 0.628 nan 8.290 nan 0.000 0.457 294 L N 4.793 126.053 121.223 0.062 0.000 2.318 294 L HA 0.391 4.731 4.340 0.000 0.000 0.277 294 L C -0.394 176.577 176.870 0.168 0.000 1.008 294 L CA -0.631 54.238 54.840 0.048 0.000 0.846 294 L CB 1.612 43.626 42.059 -0.075 0.000 1.220 294 L HN 0.687 nan 8.230 nan 0.000 0.423 295 T N 2.293 116.938 114.554 0.153 0.000 2.761 295 T HA 0.136 4.486 4.350 0.000 0.000 0.296 295 T C 0.361 175.194 174.700 0.221 0.000 0.934 295 T CA 0.203 62.390 62.100 0.145 0.000 1.091 295 T CB 0.262 69.176 68.868 0.076 0.000 0.896 295 T HN 0.580 nan 8.240 nan 0.000 0.515 296 Y N 1.347 121.727 120.300 0.134 0.000 2.563 296 Y HA 0.663 5.213 4.550 0.000 0.000 0.250 296 Y C 0.386 176.378 175.900 0.153 0.000 1.126 296 Y CA -0.656 57.569 58.100 0.210 0.000 1.231 296 Y CB 0.431 39.054 38.460 0.271 0.000 1.288 296 Y HN 0.690 nan 8.280 nan 0.000 0.537 297 G N -0.531 107.990 108.800 -0.466 0.000 2.660 297 G HA2 0.521 4.481 3.960 0.000 0.000 0.290 297 G HA3 0.521 4.481 3.960 0.000 0.000 0.290 297 G C -1.306 173.463 174.900 -0.217 0.000 1.432 297 G CA -0.740 44.147 45.100 -0.355 0.000 0.807 297 G HN 0.637 nan 8.290 nan 0.000 0.485 298 G N -0.127 108.600 108.800 -0.122 0.000 2.160 298 G HA2 0.445 4.405 3.960 0.000 0.000 0.288 298 G HA3 0.445 4.405 3.960 0.000 0.000 0.288 298 G C -0.147 174.740 174.900 -0.022 0.000 1.335 298 G CA -0.578 44.483 45.100 -0.065 0.000 1.249 298 G HN 0.652 nan 8.290 nan 0.000 0.614 299 M N 2.810 122.401 119.600 -0.016 0.000 3.047 299 M HA 0.074 4.554 4.480 0.000 0.000 0.296 299 M C 0.749 177.075 176.300 0.043 0.000 1.669 299 M CA 0.280 55.587 55.300 0.011 0.000 1.574 299 M CB -0.486 32.121 32.600 0.011 0.000 1.656 299 M HN 0.518 nan 8.290 nan 0.000 0.481 300 S N 4.608 120.341 115.700 0.056 0.000 4.576 300 S HA -0.214 4.256 4.470 0.000 0.000 0.416 300 S C 0.008 174.742 174.600 0.223 0.000 0.584 300 S CA 0.700 58.964 58.200 0.106 0.000 1.251 300 S CB -1.019 62.216 63.200 0.059 0.000 2.150 300 S HN 0.812 nan 8.310 nan 0.000 0.329 301 F N 0.251 120.186 119.950 -0.025 0.000 2.975 301 F HA -0.193 4.334 4.527 0.000 0.000 0.319 301 F C 0.293 176.083 175.800 -0.016 0.000 0.976 301 F CA 1.407 59.395 58.000 -0.021 0.000 1.072 301 F CB -0.942 38.048 39.000 -0.018 0.000 1.165 301 F HN 0.761 nan 8.300 nan 0.000 0.758 302 Q N 2.300 122.106 119.800 0.009 0.000 2.878 302 Q HA 0.378 4.718 4.340 0.000 0.000 0.232 302 Q C -2.645 173.332 176.000 -0.038 0.000 0.893 302 Q CA -1.594 54.196 55.803 -0.021 0.000 0.742 302 Q CB 1.849 30.596 28.738 0.015 0.000 1.354 302 Q HN 0.137 nan 8.270 nan 0.000 0.466 303 P HA 0.073 nan 4.420 nan 0.000 0.274 303 P C -0.302 176.988 177.300 -0.017 0.000 1.246 303 P CA -0.351 62.717 63.100 -0.052 0.000 0.795 303 P CB 1.013 32.668 31.700 -0.075 0.000 1.006 304 V N 1.864 121.779 119.914 0.003 0.000 2.425 304 V HA 0.057 4.177 4.120 0.000 0.000 0.276 304 V C 0.706 176.828 176.094 0.047 0.000 1.017 304 V CA 0.730 63.051 62.300 0.036 0.000 1.062 304 V CB -0.691 31.172 31.823 0.067 0.000 0.997 304 V HN 0.553 nan 8.190 nan 0.000 0.476 305 T N 7.235 121.807 114.554 0.031 0.000 2.788 305 T HA 0.566 4.917 4.350 0.000 0.000 0.296 305 T C -0.285 174.419 174.700 0.007 0.000 1.009 305 T CA -0.250 61.864 62.100 0.023 0.000 0.949 305 T CB 0.490 69.357 68.868 -0.001 0.000 0.946 305 T HN 0.313 nan 8.240 nan 0.000 0.453 306 I N 4.881 125.472 120.570 0.036 0.000 2.466 306 I HA 0.367 4.537 4.170 0.000 0.000 0.289 306 I C -2.369 173.718 176.117 -0.051 0.000 1.026 306 I CA -3.042 58.219 61.300 -0.065 0.000 1.078 306 I CB 1.566 39.515 38.000 -0.086 0.000 1.249 306 I HN 0.304 nan 8.210 nan 0.000 0.429 307 P HA 0.151 nan 4.420 nan 0.000 0.268 307 P C 1.035 178.309 177.300 -0.043 0.000 1.204 307 P CA 0.096 63.156 63.100 -0.067 0.000 0.768 307 P CB 0.641 32.286 31.700 -0.092 0.000 0.842 308 T N 0.970 115.552 114.554 0.046 0.000 2.778 308 T HA -0.184 4.166 4.350 0.000 0.000 0.269 308 T C 1.761 176.463 174.700 0.004 0.000 1.050 308 T CA 2.166 64.323 62.100 0.095 0.000 1.137 308 T CB -0.529 68.364 68.868 0.041 0.000 0.860 308 T HN 0.631 nan 8.240 nan 0.000 0.468 309 S N 1.251 116.933 115.700 -0.030 0.000 2.423 309 S HA 0.048 4.518 4.470 0.000 0.000 0.231 309 S C 2.028 176.620 174.600 -0.013 0.000 1.014 309 S CA 0.573 58.756 58.200 -0.029 0.000 0.965 309 S CB -0.619 62.688 63.200 0.178 0.000 0.785 309 S HN 0.446 nan 8.310 nan 0.000 0.495 310 L N -0.627 120.544 121.223 -0.086 0.000 2.072 310 L HA -0.034 4.306 4.340 0.000 0.000 0.205 310 L C 2.564 179.416 176.870 -0.029 0.000 1.079 310 L CA 1.548 56.303 54.840 -0.142 0.000 0.752 310 L CB -0.724 41.073 42.059 -0.438 0.000 0.906 310 L HN 0.311 nan 8.230 nan 0.000 0.436 311 Y N 0.179 120.526 120.300 0.079 0.000 2.114 311 Y HA -0.242 4.308 4.550 0.000 0.000 0.284 311 Y C 2.536 178.430 175.900 -0.010 0.000 1.143 311 Y CA 1.200 59.352 58.100 0.087 0.000 1.135 311 Y CB -0.111 38.378 38.460 0.049 0.000 0.980 311 Y HN 0.047 nan 8.280 nan 0.000 0.499 312 I N -1.382 119.190 120.570 0.004 0.000 2.162 312 I HA -0.254 3.916 4.170 0.000 0.000 0.238 312 I C 1.844 177.888 176.117 -0.122 0.000 1.076 312 I CA 1.484 62.663 61.300 -0.202 0.000 1.353 312 I CB -0.603 37.057 38.000 -0.566 0.000 1.063 312 I HN 0.132 nan 8.210 nan 0.000 0.408 313 F N 0.922 120.912 119.950 0.067 0.000 2.293 313 F HA -0.014 4.513 4.527 0.000 0.000 0.297 313 F C 2.102 177.926 175.800 0.041 0.000 1.089 313 F CA 0.516 58.541 58.000 0.041 0.000 1.377 313 F CB -0.005 39.007 39.000 0.020 0.000 1.051 313 F HN -0.095 nan 8.300 nan 0.000 0.511 314 K N 0.167 120.694 120.400 0.212 0.000 2.372 314 K HA 0.045 4.365 4.320 0.000 0.000 0.200 314 K C -0.047 176.646 176.600 0.156 0.000 1.022 314 K CA -0.024 56.353 56.287 0.150 0.000 1.125 314 K CB -0.315 32.245 32.500 0.100 0.000 0.855 314 K HN 0.049 nan 8.250 nan 0.000 0.524 315 N N 1.418 120.212 118.700 0.157 0.000 2.708 315 N HA -0.248 4.492 4.740 0.000 0.000 0.251 315 N C -0.798 174.818 175.510 0.176 0.000 1.017 315 N CA 0.097 53.235 53.050 0.147 0.000 0.742 315 N CB -1.551 36.999 38.487 0.104 0.000 0.943 315 N HN 0.198 nan 8.380 nan 0.000 0.539 316 F N 0.515 120.496 119.950 0.050 0.000 2.484 316 F HA 0.376 4.903 4.527 0.000 0.000 0.360 316 F C 0.650 176.532 175.800 0.136 0.000 1.101 316 F CA 0.135 58.145 58.000 0.015 0.000 1.251 316 F CB 0.674 39.571 39.000 -0.172 0.000 1.132 316 F HN 0.062 nan 8.300 nan 0.000 0.570 317 T N 4.601 118.706 114.554 -0.748 0.000 2.856 317 T HA 0.427 4.777 4.350 0.000 0.000 0.283 317 T C -1.032 173.120 174.700 -0.914 0.000 1.008 317 T CA -0.706 61.072 62.100 -0.537 0.000 0.997 317 T CB 1.406 70.134 68.868 -0.233 0.000 0.992 317 T HN 0.582 nan 8.240 nan 0.000 0.454 318 S N 1.408 116.893 115.700 -0.360 0.000 2.605 318 S HA 0.819 5.289 4.470 0.000 0.000 0.308 318 S C -0.577 174.006 174.600 -0.029 0.000 1.113 318 S CA -0.384 57.729 58.200 -0.146 0.000 1.049 318 S CB 0.493 63.827 63.200 0.224 0.000 1.001 318 S HN 0.994 nan 8.310 nan 0.000 0.480 319 A N 3.569 126.378 122.820 -0.019 0.000 2.566 319 A HA 1.006 5.326 4.320 0.000 0.000 0.291 319 A C 0.073 177.680 177.584 0.038 0.000 1.278 319 A CA -0.474 51.567 52.037 0.006 0.000 0.711 319 A CB 0.703 19.696 19.000 -0.012 0.000 1.332 319 A HN 1.187 nan 8.150 nan 0.000 0.478 320 G N -1.396 107.435 108.800 0.052 0.000 2.498 320 G HA2 0.625 4.585 3.960 0.000 0.000 0.312 320 G HA3 0.625 4.585 3.960 0.000 0.000 0.312 320 G C -1.772 173.225 174.900 0.162 0.000 1.230 320 G CA -0.404 44.754 45.100 0.098 0.000 0.968 320 G HN 0.944 nan 8.290 nan 0.000 0.481 321 F N 0.851 120.848 119.950 0.079 0.000 2.557 321 F HA 0.681 5.208 4.527 0.000 0.000 0.316 321 F C -2.015 173.971 175.800 0.311 0.000 1.141 321 F CA -1.309 56.779 58.000 0.146 0.000 0.922 321 F CB 2.085 41.130 39.000 0.075 0.000 1.194 321 F HN 0.450 nan 8.300 nan 0.000 0.443 322 W N 7.632 128.519 121.300 -0.689 0.000 2.664 322 W HA 0.354 5.014 4.660 0.000 0.000 0.314 322 W C -0.273 175.881 176.519 -0.608 0.000 1.010 322 W CA -1.220 55.868 57.345 -0.429 0.000 1.306 322 W CB 1.247 30.605 29.460 -0.171 0.000 1.254 322 W HN 0.441 nan 8.180 nan 0.000 0.404 323 V N 4.457 124.158 119.914 -0.355 0.000 2.392 323 V HA -0.267 3.853 4.120 0.000 0.000 0.249 323 V C 1.860 177.751 176.094 -0.340 0.000 1.059 323 V CA 3.224 65.375 62.300 -0.248 0.000 1.051 323 V CB -0.308 31.602 31.823 0.145 0.000 0.658 323 V HN 0.659 nan 8.190 nan 0.000 0.455 324 T N -0.261 113.935 114.554 -0.598 0.000 2.720 324 T HA -0.225 4.125 4.350 0.000 0.000 0.268 324 T C 1.789 176.057 174.700 -0.720 0.000 1.037 324 T CA 2.090 63.739 62.100 -0.752 0.000 1.144 324 T CB -0.163 67.978 68.868 -1.212 0.000 0.864 324 T HN 0.633 nan 8.240 nan 0.000 0.444 325 E N 0.341 120.036 120.200 -0.842 0.000 2.216 325 E HA 0.099 4.450 4.350 0.000 0.000 0.192 325 E C 1.885 178.342 176.600 -0.239 0.000 0.973 325 E CA 0.184 56.295 56.400 -0.481 0.000 0.851 325 E CB -0.426 29.105 29.700 -0.282 0.000 0.804 325 E HN 0.310 nan 8.360 nan 0.000 0.477 326 L N 0.146 121.226 121.223 -0.239 0.000 2.083 326 L HA 0.000 4.340 4.340 0.000 0.000 0.209 326 L C 1.704 178.503 176.870 -0.118 0.000 1.083 326 L CA 1.629 56.387 54.840 -0.137 0.000 0.752 326 L CB -0.093 41.869 42.059 -0.163 0.000 0.899 326 L HN 0.250 nan 8.230 nan 0.000 0.433 327 L N -1.438 119.696 121.223 -0.147 0.000 2.585 327 L HA 0.017 4.357 4.340 0.000 0.000 0.226 327 L C 2.286 179.100 176.870 -0.094 0.000 1.113 327 L CA 0.055 54.831 54.840 -0.106 0.000 0.876 327 L CB -0.423 41.581 42.059 -0.091 0.000 1.072 327 L HN 0.240 nan 8.230 nan 0.000 0.468 328 K N 1.043 121.364 120.400 -0.133 0.000 2.034 328 K HA -0.181 4.139 4.320 0.000 0.000 0.214 328 K C 0.458 177.016 176.600 -0.070 0.000 1.051 328 K CA 1.454 57.671 56.287 -0.118 0.000 0.931 328 K CB 0.134 32.538 32.500 -0.159 0.000 0.715 328 K HN 0.256 nan 8.250 nan 0.000 0.446 329 N N 0.805 119.469 118.700 -0.060 0.000 2.696 329 N HA 0.057 4.797 4.740 0.000 0.000 0.308 329 N C -1.192 174.301 175.510 -0.027 0.000 1.915 329 N CA -0.015 53.012 53.050 -0.038 0.000 0.906 329 N CB 0.839 39.304 38.487 -0.038 0.000 1.284 329 N HN 0.103 nan 8.380 nan 0.000 0.488 330 N N 0.676 119.358 118.700 -0.029 0.000 2.700 330 N HA 0.137 4.877 4.740 0.000 0.000 0.242 330 N C 0.613 176.103 175.510 -0.032 0.000 1.541 330 N CA -0.092 52.940 53.050 -0.029 0.000 0.764 330 N CB 0.643 39.106 38.487 -0.040 0.000 1.319 330 N HN 0.058 nan 8.380 nan 0.000 0.518 331 K N 0.046 120.433 120.400 -0.021 0.000 2.097 331 K HA -0.144 4.176 4.320 0.000 0.000 0.206 331 K C 1.391 177.971 176.600 -0.034 0.000 1.049 331 K CA 1.019 57.291 56.287 -0.024 0.000 0.933 331 K CB 0.389 32.882 32.500 -0.011 0.000 0.717 331 K HN 0.437 nan 8.250 nan 0.000 0.442 332 E N 1.197 121.380 120.200 -0.028 0.000 2.077 332 E HA -0.214 4.136 4.350 0.000 0.000 0.193 332 E C 2.014 178.589 176.600 -0.041 0.000 0.989 332 E CA 0.815 57.197 56.400 -0.030 0.000 0.800 332 E CB 0.042 29.731 29.700 -0.019 0.000 0.746 332 E HN 0.131 nan 8.360 nan 0.000 0.452 333 L N 1.367 122.564 121.223 -0.043 0.000 2.023 333 L HA -0.072 4.268 4.340 0.000 0.000 0.205 333 L C 2.412 179.238 176.870 -0.074 0.000 1.073 333 L CA 1.967 56.772 54.840 -0.058 0.000 0.745 333 L CB -0.558 41.454 42.059 -0.079 0.000 0.900 333 L HN 0.023 nan 8.230 nan 0.000 0.435 334 K N -1.249 119.110 120.400 -0.068 0.000 2.034 334 K HA -0.230 4.090 4.320 0.000 0.000 0.214 334 K C 1.878 178.427 176.600 -0.084 0.000 1.051 334 K CA 2.392 58.637 56.287 -0.070 0.000 0.931 334 K CB -0.349 32.115 32.500 -0.061 0.000 0.715 334 K HN 0.406 nan 8.250 nan 0.000 0.446 335 T N -0.118 114.390 114.554 -0.077 0.000 2.674 335 T HA -0.157 4.194 4.350 0.000 0.000 0.265 335 T C 1.982 176.618 174.700 -0.107 0.000 1.039 335 T CA 1.619 63.671 62.100 -0.080 0.000 1.150 335 T CB -0.415 68.416 68.868 -0.062 0.000 0.864 335 T HN 0.332 nan 8.240 nan 0.000 0.427 336 S N 0.310 115.944 115.700 -0.109 0.000 2.348 336 S HA -0.166 4.304 4.470 0.000 0.000 0.221 336 S C 2.271 176.729 174.600 -0.235 0.000 1.033 336 S CA 2.028 60.143 58.200 -0.140 0.000 1.010 336 S CB -0.850 62.290 63.200 -0.100 0.000 0.891 336 S HN 0.539 nan 8.310 nan 0.000 0.442 337 T N 2.747 117.154 114.554 -0.246 0.000 2.652 337 T HA -0.094 4.256 4.350 0.000 0.000 0.267 337 T C 1.714 176.179 174.700 -0.392 0.000 1.039 337 T CA 1.509 63.363 62.100 -0.410 0.000 1.153 337 T CB -0.634 68.091 68.868 -0.239 0.000 0.863 337 T HN 0.269 nan 8.240 nan 0.000 0.428 338 L N 2.080 123.166 121.223 -0.228 0.000 2.013 338 L HA -0.152 4.188 4.340 0.000 0.000 0.212 338 L C 2.082 178.842 176.870 -0.184 0.000 1.073 338 L CA 1.738 56.478 54.840 -0.165 0.000 0.753 338 L CB -0.959 41.042 42.059 -0.097 0.000 0.890 338 L HN 0.155 nan 8.230 nan 0.000 0.432 339 N N -0.509 118.074 118.700 -0.195 0.000 2.037 339 N HA -0.283 4.457 4.740 0.000 0.000 0.196 339 N C 1.871 177.199 175.510 -0.303 0.000 1.034 339 N CA 1.685 54.617 53.050 -0.197 0.000 0.861 339 N CB -0.489 37.894 38.487 -0.173 0.000 1.039 339 N HN 0.453 nan 8.380 nan 0.000 0.427 340 Q N 0.487 120.003 119.800 -0.474 0.000 2.096 340 Q HA -0.022 4.319 4.340 0.000 0.000 0.204 340 Q C 1.810 177.288 176.000 -0.871 0.000 0.982 340 Q CA 1.075 56.402 55.803 -0.794 0.000 0.850 340 Q CB -0.228 27.885 28.738 -1.042 0.000 0.901 340 Q HN 0.295 nan 8.270 nan 0.000 0.422 341 I N 0.065 120.308 120.570 -0.546 0.000 2.286 341 I HA -0.233 3.937 4.170 0.000 0.000 0.248 341 I C 2.165 178.261 176.117 -0.034 0.000 1.115 341 I CA 1.152 62.314 61.300 -0.231 0.000 1.392 341 I CB -0.988 36.929 38.000 -0.138 0.000 1.065 341 I HN 0.302 nan 8.210 nan 0.000 0.418 342 I N 0.957 121.513 120.570 -0.024 0.000 2.133 342 I HA -0.262 3.908 4.170 0.000 0.000 0.238 342 I C 2.767 178.934 176.117 0.082 0.000 1.074 342 I CA 1.425 62.785 61.300 0.100 0.000 1.342 342 I CB -0.511 37.510 38.000 0.034 0.000 1.053 342 I HN 0.113 nan 8.210 nan 0.000 0.404 343 A N 0.349 123.140 122.820 -0.049 0.000 1.958 343 A HA -0.255 4.065 4.320 0.000 0.000 0.221 343 A C 2.083 179.733 177.584 0.110 0.000 1.178 343 A CA 1.814 53.831 52.037 -0.033 0.000 0.642 343 A CB -0.977 17.927 19.000 -0.160 0.000 0.816 343 A HN 0.569 nan 8.150 nan 0.000 0.453 344 W N -1.415 119.867 121.300 -0.029 0.000 2.407 344 W HA -0.012 4.648 4.660 0.000 0.000 0.305 344 W C 2.255 178.765 176.519 -0.015 0.000 1.196 344 W CA 0.637 57.945 57.345 -0.062 0.000 1.311 344 W CB -1.467 27.904 29.460 -0.147 0.000 1.135 344 W HN 0.541 nan 8.180 nan 0.000 0.514 345 Y N 0.794 121.250 120.300 0.261 0.000 2.097 345 Y HA -0.299 4.251 4.550 0.000 0.000 0.282 345 Y C 2.544 178.513 175.900 0.114 0.000 1.152 345 Y CA 1.913 60.111 58.100 0.164 0.000 1.136 345 Y CB -0.513 38.030 38.460 0.139 0.000 0.975 345 Y HN -0.010 nan 8.280 nan 0.000 0.498 346 E N 0.210 120.571 120.200 0.269 0.000 2.048 346 E HA -0.284 4.066 4.350 0.000 0.000 0.202 346 E C 1.848 178.523 176.600 0.125 0.000 1.021 346 E CA 1.863 58.351 56.400 0.147 0.000 0.825 346 E CB -0.279 29.478 29.700 0.096 0.000 0.756 346 E HN 0.580 nan 8.360 nan 0.000 0.454 347 E N -0.828 119.456 120.200 0.140 0.000 2.409 347 E HA -0.064 4.287 4.350 0.000 0.000 0.198 347 E C 1.003 177.661 176.600 0.097 0.000 1.024 347 E CA 0.386 56.856 56.400 0.116 0.000 0.861 347 E CB 0.063 29.852 29.700 0.147 0.000 0.788 347 E HN 0.466 nan 8.360 nan 0.000 0.521 348 G N 1.295 110.167 108.800 0.121 0.000 2.136 348 G HA2 -0.335 3.625 3.960 0.000 0.000 0.242 348 G HA3 -0.335 3.625 3.960 0.000 0.000 0.242 348 G C 0.757 175.685 174.900 0.045 0.000 0.989 348 G CA 0.551 45.708 45.100 0.096 0.000 0.682 348 G HN 0.249 nan 8.290 nan 0.000 0.522 349 K N -1.333 119.076 120.400 0.016 0.000 2.379 349 K HA 0.360 4.680 4.320 0.000 0.000 0.194 349 K C 0.472 176.947 176.600 -0.209 0.000 1.031 349 K CA 0.208 56.418 56.287 -0.127 0.000 1.037 349 K CB 0.451 32.809 32.500 -0.237 0.000 0.824 349 K HN 0.322 nan 8.250 nan 0.000 0.516 350 L N 0.332 121.485 121.223 -0.116 0.000 2.386 350 L HA 0.348 4.688 4.340 0.000 0.000 0.271 350 L C -0.859 176.013 176.870 0.003 0.000 0.993 350 L CA -0.178 54.565 54.840 -0.162 0.000 0.819 350 L CB 2.239 44.105 42.059 -0.322 0.000 1.294 350 L HN -0.229 nan 8.230 nan 0.000 0.414 351 T N 2.735 117.335 114.554 0.077 0.000 2.900 351 T HA 0.574 4.924 4.350 0.000 0.000 0.295 351 T C -1.367 173.478 174.700 0.242 0.000 1.044 351 T CA -0.663 61.569 62.100 0.220 0.000 0.995 351 T CB 0.946 69.879 68.868 0.109 0.000 1.072 351 T HN 0.776 nan 8.240 nan 0.000 0.473 352 D N 2.106 122.695 120.400 0.316 0.000 2.326 352 D HA 0.594 5.234 4.640 0.000 0.000 0.251 352 D C -0.127 176.208 176.300 0.059 0.000 1.023 352 D CA -0.678 53.460 54.000 0.229 0.000 0.966 352 D CB 1.700 42.716 40.800 0.361 0.000 1.156 352 D HN 0.668 nan 8.370 nan 0.000 0.494 353 A N 0.829 123.643 122.820 -0.010 0.000 2.322 353 A HA 0.268 4.588 4.320 0.000 0.000 0.269 353 A C 0.249 177.849 177.584 0.027 0.000 1.094 353 A CA -0.641 51.389 52.037 -0.011 0.000 0.807 353 A CB 0.257 19.234 19.000 -0.039 0.000 1.047 353 A HN 0.498 nan 8.150 nan 0.000 0.487 354 K N 1.842 122.251 120.400 0.016 0.000 2.378 354 K HA 0.227 4.548 4.320 0.000 0.000 0.288 354 K C -0.259 176.349 176.600 0.013 0.000 1.057 354 K CA 0.137 56.433 56.287 0.017 0.000 0.971 354 K CB 0.516 33.021 32.500 0.008 0.000 0.975 354 K HN 0.651 nan 8.250 nan 0.000 0.475 355 S N 3.046 118.754 115.700 0.014 0.000 2.565 355 S HA 0.222 4.692 4.470 0.000 0.000 0.274 355 S C 0.529 175.118 174.600 -0.018 0.000 1.309 355 S CA -0.628 57.575 58.200 0.005 0.000 1.043 355 S CB 0.537 63.741 63.200 0.007 0.000 0.939 355 S HN 0.399 nan 8.310 nan 0.000 0.504 356 I N 3.037 123.590 120.570 -0.028 0.000 2.347 356 I HA 0.075 4.245 4.170 0.000 0.000 0.294 356 I C 0.559 176.630 176.117 -0.077 0.000 1.090 356 I CA 0.192 61.464 61.300 -0.047 0.000 1.314 356 I CB 0.143 38.115 38.000 -0.046 0.000 1.423 356 I HN 0.557 nan 8.210 nan 0.000 0.503 357 E N 5.356 125.509 120.200 -0.077 0.000 2.194 357 E HA 0.239 4.590 4.350 0.000 0.000 0.284 357 E C -0.612 175.911 176.600 -0.129 0.000 1.035 357 E CA -0.254 56.084 56.400 -0.105 0.000 0.836 357 E CB 1.080 30.730 29.700 -0.083 0.000 1.070 357 E HN 0.448 nan 8.360 nan 0.000 0.401 358 T N 3.740 118.184 114.554 -0.183 0.000 2.788 358 T HA 0.263 4.613 4.350 0.000 0.000 0.296 358 T C -0.452 174.103 174.700 -0.242 0.000 1.009 358 T CA -0.667 61.309 62.100 -0.206 0.000 0.949 358 T CB 0.496 69.213 68.868 -0.252 0.000 0.946 358 T HN 0.190 nan 8.240 nan 0.000 0.453 359 L N 4.113 125.225 121.223 -0.186 0.000 2.312 359 L HA 0.510 4.851 4.340 0.000 0.000 0.281 359 L C -0.765 176.014 176.870 -0.152 0.000 1.070 359 L CA -0.839 53.891 54.840 -0.182 0.000 0.805 359 L CB 0.451 42.436 42.059 -0.122 0.000 1.174 359 L HN 0.645 nan 8.230 nan 0.000 0.434 360 Y N 4.119 124.231 120.300 -0.314 0.000 2.452 360 Y HA 0.263 4.814 4.550 0.000 0.000 0.348 360 Y C 0.435 176.286 175.900 -0.081 0.000 0.985 360 Y CA -0.358 57.617 58.100 -0.207 0.000 1.214 360 Y CB 0.546 38.863 38.460 -0.238 0.000 1.136 360 Y HN 0.854 nan 8.280 nan 0.000 0.523 361 D N 2.048 122.142 120.400 -0.508 0.000 2.392 361 D HA 0.204 4.844 4.640 0.000 0.000 0.206 361 D C 1.611 177.568 176.300 -0.571 0.000 1.046 361 D CA 0.691 54.444 54.000 -0.412 0.000 0.865 361 D CB 0.296 40.961 40.800 -0.226 0.000 0.969 361 D HN 0.769 nan 8.370 nan 0.000 0.509 362 G N -0.073 108.149 108.800 -0.963 0.000 2.201 362 G HA2 -0.287 3.674 3.960 0.000 0.000 0.212 362 G HA3 -0.287 3.674 3.960 0.000 0.000 0.212 362 G C 1.160 175.912 174.900 -0.248 0.000 0.994 362 G CA 0.581 45.307 45.100 -0.623 0.000 0.644 362 G HN 0.577 nan 8.290 nan 0.000 0.508 363 T N -2.238 112.183 114.554 -0.221 0.000 3.100 363 T HA 0.437 4.788 4.350 0.000 0.000 0.253 363 T C 0.617 175.285 174.700 -0.053 0.000 1.118 363 T CA 1.291 63.330 62.100 -0.101 0.000 1.058 363 T CB 0.497 69.308 68.868 -0.095 0.000 0.953 363 T HN 0.549 nan 8.240 nan 0.000 0.515 364 K N 1.509 121.884 120.400 -0.043 0.000 2.535 364 K HA 0.481 4.801 4.320 0.000 0.000 0.250 364 K C -3.264 173.407 176.600 0.119 0.000 0.948 364 K CA -2.269 54.026 56.287 0.013 0.000 0.796 364 K CB 1.912 34.398 32.500 -0.024 0.000 1.216 364 K HN -0.139 nan 8.250 nan 0.000 0.432 365 P HA -0.103 nan 4.420 nan 0.000 0.261 365 P C 0.574 177.974 177.300 0.166 0.000 1.173 365 P CA -0.119 63.094 63.100 0.189 0.000 0.760 365 P CB 0.482 32.264 31.700 0.136 0.000 0.783 366 L N 4.760 126.135 121.223 0.254 0.000 2.081 366 L HA -0.231 4.109 4.340 0.000 0.000 0.212 366 L C 2.326 179.330 176.870 0.223 0.000 1.080 366 L CA 1.917 56.837 54.840 0.135 0.000 0.754 366 L CB -1.137 40.890 42.059 -0.053 0.000 0.893 366 L HN 0.566 nan 8.230 nan 0.000 0.433 367 H N -1.670 117.498 119.070 0.164 0.000 2.457 367 H HA -0.108 4.448 4.556 0.000 0.000 0.294 367 H C 1.811 177.233 175.328 0.157 0.000 1.064 367 H CA 1.480 57.640 56.048 0.187 0.000 1.330 367 H CB -0.251 29.591 29.762 0.133 0.000 1.395 367 H HN 0.528 nan 8.280 nan 0.000 0.541 368 E N 0.489 120.444 120.200 -0.408 0.000 2.072 368 E HA -0.054 4.296 4.350 0.000 0.000 0.190 368 E C 2.345 178.856 176.600 -0.149 0.000 0.982 368 E CA 0.885 57.098 56.400 -0.312 0.000 0.803 368 E CB 0.128 29.641 29.700 -0.312 0.000 0.755 368 E HN 0.268 nan 8.360 nan 0.000 0.453 369 L N -0.303 120.829 121.223 -0.151 0.000 2.043 369 L HA -0.230 4.111 4.340 0.000 0.000 0.212 369 L C 2.039 178.683 176.870 -0.376 0.000 1.075 369 L CA 1.636 56.320 54.840 -0.259 0.000 0.752 369 L CB -0.647 41.212 42.059 -0.334 0.000 0.891 369 L HN 0.225 nan 8.230 nan 0.000 0.432 370 Y N -0.834 119.325 120.300 -0.235 0.000 2.314 370 Y HA -0.171 4.379 4.550 0.000 0.000 0.293 370 Y C 2.705 178.493 175.900 -0.186 0.000 1.129 370 Y CA 0.973 58.849 58.100 -0.374 0.000 1.201 370 Y CB -0.230 37.914 38.460 -0.526 0.000 0.999 370 Y HN 0.212 nan 8.280 nan 0.000 0.541 371 Q N -0.075 119.761 119.800 0.060 0.000 2.119 371 Q HA -0.184 4.156 4.340 0.000 0.000 0.201 371 Q C 1.381 177.384 176.000 0.004 0.000 0.972 371 Q CA 1.477 57.322 55.803 0.070 0.000 0.847 371 Q CB -0.034 28.752 28.738 0.081 0.000 0.903 371 Q HN 0.471 nan 8.270 nan 0.000 0.433 372 D N -0.323 120.044 120.400 -0.055 0.000 2.123 372 D HA -0.089 4.551 4.640 0.000 0.000 0.200 372 D C 1.851 178.104 176.300 -0.077 0.000 0.976 372 D CA 1.317 55.276 54.000 -0.068 0.000 0.831 372 D CB -0.537 40.206 40.800 -0.096 0.000 0.974 372 D HN 0.350 nan 8.370 nan 0.000 0.469 373 G N 0.643 109.363 108.800 -0.135 0.000 2.450 373 G HA2 -0.210 3.750 3.960 0.000 0.000 0.220 373 G HA3 -0.210 3.750 3.960 0.000 0.000 0.220 373 G C 1.795 176.668 174.900 -0.045 0.000 1.130 373 G CA 0.700 45.716 45.100 -0.141 0.000 0.760 373 G HN 0.236 nan 8.290 nan 0.000 0.557 374 V N 0.986 120.899 119.914 -0.001 0.000 2.379 374 V HA 0.039 4.159 4.120 0.000 0.000 0.243 374 V C 3.247 179.367 176.094 0.043 0.000 1.035 374 V CA 1.746 64.084 62.300 0.065 0.000 1.035 374 V CB -0.511 31.386 31.823 0.123 0.000 0.673 374 V HN 0.441 nan 8.190 nan 0.000 0.457 375 A N 0.508 123.343 122.820 0.025 0.000 1.972 375 A HA -0.171 4.149 4.320 0.000 0.000 0.219 375 A C 1.642 179.230 177.584 0.007 0.000 1.169 375 A CA 1.890 53.937 52.037 0.016 0.000 0.635 375 A CB -0.457 18.547 19.000 0.008 0.000 0.810 375 A HN 0.602 nan 8.150 nan 0.000 0.446 376 N N -0.335 118.362 118.700 -0.006 0.000 2.279 376 N HA 0.149 4.889 4.740 0.000 0.000 0.226 376 N C 0.876 176.384 175.510 -0.003 0.000 1.126 376 N CA 0.368 53.411 53.050 -0.011 0.000 0.846 376 N CB 0.426 38.895 38.487 -0.030 0.000 1.050 376 N HN 0.288 nan 8.380 nan 0.000 0.502 377 S N 0.598 116.306 115.700 0.014 0.000 2.428 377 S HA -0.056 4.414 4.470 0.000 0.000 0.230 377 S C 1.848 176.465 174.600 0.028 0.000 1.014 377 S CA 0.667 58.884 58.200 0.028 0.000 0.957 377 S CB 0.221 63.453 63.200 0.054 0.000 0.784 377 S HN 0.384 nan 8.310 nan 0.000 0.499 378 K N 1.216 121.630 120.400 0.023 0.000 2.113 378 K HA -0.187 4.133 4.320 0.000 0.000 0.208 378 K C 1.035 177.644 176.600 0.014 0.000 1.047 378 K CA 1.720 58.019 56.287 0.021 0.000 0.928 378 K CB -0.155 32.355 32.500 0.016 0.000 0.716 378 K HN 0.189 nan 8.250 nan 0.000 0.446 379 D N -0.251 120.153 120.400 0.007 0.000 2.265 379 D HA -0.028 4.612 4.640 0.000 0.000 0.208 379 D C 0.917 177.219 176.300 0.003 0.000 0.977 379 D CA 1.388 55.389 54.000 0.000 0.000 0.871 379 D CB 0.137 40.932 40.800 -0.010 0.000 0.925 379 D HN 0.502 nan 8.370 nan 0.000 0.485 380 G N -0.435 108.371 108.800 0.010 0.000 2.339 380 G HA2 0.022 3.982 3.960 0.000 0.000 0.381 380 G HA3 0.022 3.982 3.960 0.000 0.000 0.381 380 G C -1.205 173.707 174.900 0.019 0.000 1.400 380 G CA -0.980 44.129 45.100 0.016 0.000 1.002 380 G HN 0.047 nan 8.290 nan 0.000 0.633 381 K N 1.079 121.498 120.400 0.031 0.000 2.453 381 K HA 0.257 4.577 4.320 0.000 0.000 0.280 381 K C 0.346 176.955 176.600 0.014 0.000 1.045 381 K CA 0.412 56.725 56.287 0.044 0.000 1.059 381 K CB 0.301 32.840 32.500 0.065 0.000 0.901 381 K HN 0.410 nan 8.250 nan 0.000 0.475 382 Q N 3.962 123.765 119.800 0.004 0.000 2.296 382 Q HA 0.259 4.599 4.340 0.000 0.000 0.257 382 Q C -0.771 175.187 176.000 -0.070 0.000 0.942 382 Q CA -0.721 55.049 55.803 -0.056 0.000 0.939 382 Q CB 1.366 30.051 28.738 -0.089 0.000 1.198 382 Q HN 0.528 nan 8.270 nan 0.000 0.429 383 L N 4.116 125.276 121.223 -0.105 0.000 2.319 383 L HA 0.455 4.795 4.340 0.000 0.000 0.281 383 L C -0.865 175.870 176.870 -0.226 0.000 1.005 383 L CA -0.240 54.532 54.840 -0.113 0.000 0.828 383 L CB 0.932 42.951 42.059 -0.068 0.000 1.227 383 L HN 0.545 nan 8.230 nan 0.000 0.415 384 I N 4.980 125.358 120.570 -0.320 0.000 2.337 384 I HA 0.218 4.388 4.170 0.000 0.000 0.291 384 I C 0.444 176.291 176.117 -0.450 0.000 1.046 384 I CA -0.260 60.731 61.300 -0.515 0.000 1.324 384 I CB 1.051 38.457 38.000 -0.991 0.000 1.409 384 I HN 0.668 nan 8.210 nan 0.000 0.494 385 T N 3.051 117.338 114.554 -0.446 0.000 2.927 385 T HA 0.592 4.942 4.350 0.000 0.000 0.281 385 T C -0.549 173.789 174.700 -0.603 0.000 0.998 385 T CA -0.447 61.442 62.100 -0.352 0.000 1.019 385 T CB 1.588 70.350 68.868 -0.177 0.000 1.061 385 T HN 0.314 nan 8.240 nan 0.000 0.518 386 Y N 0.000 120.280 120.300 -0.034 0.000 2.660 386 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 386 Y CA 0.000 58.110 58.100 0.016 0.000 1.940 386 Y CB 0.000 38.453 38.460 -0.012 0.000 1.050 386 Y HN 0.000 nan 8.280 nan 0.000 0.758