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 1guf_1_A DATA FIRST_RESID 23 DATA SEQUENCE MITAQAVLYT QHGEPKDVLF TQSFEIDDDN LAPNEVIVKT LGSPVNPSDI DATA SEQUENCE NQIQGVYPSK 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 0.000 176.254 176.300 -0.076 0.000 1.140 23 M CA 0.000 55.272 55.300 -0.046 0.000 0.988 23 M CB 0.000 32.581 32.600 -0.032 0.000 1.302 24 I N 2.747 123.240 120.570 -0.128 0.000 2.474 24 I HA 0.520 4.690 4.170 -0.000 0.000 0.294 24 I C -0.333 175.626 176.117 -0.264 0.000 1.005 24 I CA -0.733 60.439 61.300 -0.214 0.000 1.113 24 I CB 2.460 40.258 38.000 -0.338 0.000 1.289 24 I HN 0.604 nan 8.210 nan 0.000 0.436 25 T N 5.603 120.022 114.554 -0.226 0.000 2.733 25 T HA 0.630 4.980 4.350 -0.000 0.000 0.294 25 T C -0.024 174.518 174.700 -0.263 0.000 0.956 25 T CA -0.414 61.565 62.100 -0.202 0.000 0.987 25 T CB 1.044 69.871 68.868 -0.069 0.000 0.920 25 T HN 0.672 nan 8.240 nan 0.000 0.470 26 A N 3.669 126.204 122.820 -0.474 0.000 2.346 26 A HA 0.830 5.149 4.320 -0.000 0.000 0.313 26 A C -0.758 176.720 177.584 -0.178 0.000 1.140 26 A CA -0.866 50.930 52.037 -0.403 0.000 0.826 26 A CB 1.165 19.667 19.000 -0.831 0.000 1.332 26 A HN 0.577 nan 8.150 nan 0.000 0.457 27 Q N -0.350 119.535 119.800 0.141 0.000 2.353 27 Q HA 0.680 5.019 4.340 -0.000 0.000 0.268 27 Q C -0.907 175.318 176.000 0.375 0.000 1.045 27 Q CA -0.502 55.465 55.803 0.272 0.000 0.811 27 Q CB 2.097 30.931 28.738 0.160 0.000 1.305 27 Q HN 0.976 nan 8.270 nan 0.000 0.447 28 A N 1.570 124.570 122.820 0.300 0.000 2.414 28 A HA 0.666 4.986 4.320 -0.000 0.000 0.306 28 A C -0.746 176.717 177.584 -0.203 0.000 1.054 28 A CA -0.628 51.416 52.037 0.012 0.000 0.724 28 A CB 1.508 20.285 19.000 -0.372 0.000 1.267 28 A HN 0.402 nan 8.150 nan 0.000 0.418 29 V N 3.736 123.535 119.914 -0.191 0.000 2.408 29 V HA 0.390 4.510 4.120 -0.000 0.000 0.267 29 V C -0.004 175.822 176.094 -0.446 0.000 1.047 29 V CA 0.329 62.509 62.300 -0.200 0.000 0.937 29 V CB 0.042 31.890 31.823 0.042 0.000 0.999 29 V HN 0.719 nan 8.190 nan 0.000 0.472 30 L N 5.456 126.205 121.223 -0.790 0.000 2.230 30 L HA 0.784 5.124 4.340 -0.000 0.000 0.255 30 L C -1.108 175.353 176.870 -0.682 0.000 1.039 30 L CA -1.113 53.172 54.840 -0.926 0.000 0.846 30 L CB 2.294 43.620 42.059 -1.221 0.000 1.419 30 L HN 0.710 nan 8.230 nan 0.000 0.435 31 Y N -3.155 116.929 120.300 -0.360 0.000 2.480 31 Y HA 0.389 4.938 4.550 -0.000 0.000 0.329 31 Y C 0.246 176.183 175.900 0.061 0.000 1.127 31 Y CA -0.759 57.343 58.100 0.004 0.000 1.037 31 Y CB 1.000 39.432 38.460 -0.047 0.000 1.320 31 Y HN 0.528 nan 8.280 nan 0.000 0.446 32 T N -1.301 113.435 114.554 0.303 0.000 3.065 32 T HA 0.184 4.533 4.350 -0.000 0.000 0.252 32 T C 0.054 174.816 174.700 0.102 0.000 1.099 32 T CA 1.009 63.183 62.100 0.124 0.000 1.063 32 T CB -0.094 68.827 68.868 0.090 0.000 0.948 32 T HN 0.841 nan 8.240 nan 0.000 0.506 33 Q N -0.414 119.505 119.800 0.198 0.000 2.472 33 Q HA 0.342 4.682 4.340 -0.000 0.000 0.281 33 Q C -1.505 174.537 176.000 0.071 0.000 0.997 33 Q CA -1.114 54.752 55.803 0.104 0.000 0.828 33 Q CB 0.836 29.620 28.738 0.077 0.000 1.443 33 Q HN 0.233 nan 8.270 nan 0.000 0.390 34 H N -0.002 119.127 119.070 0.098 0.000 2.771 34 H HA 0.636 5.192 4.556 -0.000 0.000 0.364 34 H C 0.438 175.725 175.328 -0.069 0.000 1.133 34 H CA 1.448 57.444 56.048 -0.087 0.000 1.423 34 H CB 1.423 31.166 29.762 -0.032 0.000 1.425 34 H HN 0.931 nan 8.280 nan 0.000 0.606 35 G N 1.060 109.872 108.800 0.019 0.000 2.333 35 G HA2 0.006 3.966 3.960 -0.000 0.000 0.288 35 G HA3 0.006 3.966 3.960 -0.000 0.000 0.288 35 G C -1.235 173.657 174.900 -0.013 0.000 1.286 35 G CA -0.822 44.287 45.100 0.015 0.000 0.865 35 G HN 0.377 nan 8.290 nan 0.000 0.506 36 E N 0.660 120.867 120.200 0.011 0.000 2.360 36 E HA 0.242 4.592 4.350 -0.000 0.000 0.269 36 E C -1.545 175.077 176.600 0.036 0.000 1.022 36 E CA -1.573 54.840 56.400 0.021 0.000 0.887 36 E CB 1.556 31.273 29.700 0.029 0.000 0.990 36 E HN 0.044 nan 8.360 nan 0.000 0.426 37 P HA -0.248 nan 4.420 nan 0.000 0.216 37 P C 1.237 178.615 177.300 0.131 0.000 1.154 37 P CA 2.060 65.225 63.100 0.110 0.000 0.865 37 P CB 0.155 31.954 31.700 0.166 0.000 0.789 38 K N -1.144 119.318 120.400 0.103 0.000 2.211 38 K HA -0.149 4.171 4.320 -0.000 0.000 0.204 38 K C 1.002 177.666 176.600 0.106 0.000 1.047 38 K CA 1.751 58.097 56.287 0.099 0.000 0.935 38 K CB -0.550 31.990 32.500 0.067 0.000 0.728 38 K HN 0.143 nan 8.250 nan 0.000 0.452 39 D N 0.933 121.389 120.400 0.092 0.000 2.394 39 D HA -0.051 4.589 4.640 -0.000 0.000 0.226 39 D C 1.986 178.352 176.300 0.109 0.000 0.990 39 D CA 1.200 55.254 54.000 0.089 0.000 0.902 39 D CB 0.457 41.294 40.800 0.061 0.000 1.038 39 D HN 0.266 nan 8.370 nan 0.000 0.499 40 V N -1.071 118.910 119.914 0.111 0.000 3.590 40 V HA 0.262 4.382 4.120 -0.000 0.000 0.265 40 V C 0.856 177.091 176.094 0.236 0.000 1.239 40 V CA -0.155 62.232 62.300 0.144 0.000 1.117 40 V CB -0.392 31.483 31.823 0.087 0.000 0.818 40 V HN -0.084 nan 8.190 nan 0.000 0.451 41 L N 2.201 123.559 121.223 0.225 0.000 2.417 41 L HA 0.573 4.913 4.340 -0.000 0.000 0.268 41 L C -0.139 176.824 176.870 0.155 0.000 1.158 41 L CA -0.263 54.711 54.840 0.223 0.000 0.819 41 L CB 0.957 43.187 42.059 0.284 0.000 1.112 41 L HN 0.516 nan 8.230 nan 0.000 0.458 42 F N -1.206 118.621 119.950 -0.205 0.000 2.686 42 F HA 0.559 5.086 4.527 -0.000 0.000 0.311 42 F C -0.738 174.852 175.800 -0.350 0.000 1.128 42 F CA -0.907 56.716 58.000 -0.628 0.000 0.946 42 F CB 1.402 40.207 39.000 -0.326 0.000 1.336 42 F HN 0.139 nan 8.300 nan 0.000 0.457 43 T N 1.852 116.333 114.554 -0.123 0.000 2.767 43 T HA 0.442 4.792 4.350 -0.000 0.000 0.284 43 T C -1.027 173.797 174.700 0.208 0.000 0.973 43 T CA -0.319 61.829 62.100 0.080 0.000 0.996 43 T CB 1.216 70.252 68.868 0.280 0.000 0.927 43 T HN 0.681 nan 8.240 nan 0.000 0.456 44 Q N 2.313 122.181 119.800 0.114 0.000 2.333 44 Q HA 0.496 4.836 4.340 -0.000 0.000 0.268 44 Q C -0.355 175.832 176.000 0.312 0.000 1.007 44 Q CA -0.366 55.577 55.803 0.234 0.000 0.810 44 Q CB 1.513 30.347 28.738 0.161 0.000 1.264 44 Q HN 0.613 nan 8.270 nan 0.000 0.452 45 S N 4.660 120.539 115.700 0.298 0.000 2.548 45 S HA 0.743 5.213 4.470 -0.000 0.000 0.277 45 S C -0.949 173.893 174.600 0.403 0.000 1.315 45 S CA -0.369 58.006 58.200 0.291 0.000 1.050 45 S CB -0.088 63.224 63.200 0.187 0.000 0.918 45 S HN 0.500 nan 8.310 nan 0.000 0.497 46 F N 1.132 121.160 119.950 0.131 0.000 2.654 46 F HA 0.661 5.187 4.527 -0.001 0.000 0.308 46 F C -0.922 174.920 175.800 0.070 0.000 1.108 46 F CA -1.087 56.984 58.000 0.118 0.000 0.957 46 F CB 1.062 40.174 39.000 0.187 0.000 1.309 46 F HN 0.394 nan 8.300 nan 0.000 0.446 47 E N 2.671 122.918 120.200 0.080 0.000 2.191 47 E HA 0.591 4.941 4.350 -0.000 0.000 0.278 47 E C -1.071 175.519 176.600 -0.016 0.000 0.972 47 E CA -0.848 55.519 56.400 -0.054 0.000 0.804 47 E CB 2.615 32.315 29.700 0.000 0.000 1.110 47 E HN 0.547 nan 8.360 nan 0.000 0.394 48 I N 2.188 122.691 120.570 -0.112 0.000 2.389 48 I HA 0.124 4.293 4.170 -0.000 0.000 0.288 48 I C -0.468 175.621 176.117 -0.047 0.000 0.999 48 I CA -0.755 60.518 61.300 -0.046 0.000 1.129 48 I CB 1.549 39.500 38.000 -0.083 0.000 1.288 48 I HN 0.382 nan 8.210 nan 0.000 0.444 49 D N 6.416 126.808 120.400 -0.012 0.000 2.435 49 D HA 0.007 4.647 4.640 -0.000 0.000 0.230 49 D C 0.895 177.189 176.300 -0.010 0.000 1.215 49 D CA -0.155 53.837 54.000 -0.013 0.000 0.947 49 D CB 0.589 41.388 40.800 -0.002 0.000 1.048 49 D HN 0.477 nan 8.370 nan 0.000 0.512 50 D N 1.553 121.942 120.400 -0.020 0.000 2.378 50 D HA -0.130 4.510 4.640 -0.000 0.000 0.227 50 D C 0.231 176.529 176.300 -0.004 0.000 1.012 50 D CA 0.162 54.156 54.000 -0.011 0.000 0.905 50 D CB 0.354 41.143 40.800 -0.018 0.000 0.895 50 D HN 0.285 nan 8.370 nan 0.000 0.532 51 D N 0.091 120.488 120.400 -0.004 0.000 2.379 51 D HA 0.036 4.676 4.640 -0.000 0.000 0.208 51 D C 0.078 176.379 176.300 0.001 0.000 1.065 51 D CA 0.059 54.058 54.000 -0.001 0.000 0.848 51 D CB 0.238 41.037 40.800 -0.002 0.000 0.949 51 D HN 0.143 nan 8.370 nan 0.000 0.509 52 N N 0.780 119.481 118.700 0.002 0.000 2.646 52 N HA 0.154 4.894 4.740 -0.000 0.000 0.303 52 N C -0.420 175.094 175.510 0.006 0.000 1.921 52 N CA -0.102 52.950 53.050 0.003 0.000 0.872 52 N CB 1.420 39.908 38.487 0.002 0.000 1.327 52 N HN 0.078 nan 8.380 nan 0.000 0.492 53 L N 1.012 122.241 121.223 0.009 0.000 2.416 53 L HA 0.372 4.712 4.340 -0.000 0.000 0.272 53 L C 1.168 178.046 176.870 0.013 0.000 1.161 53 L CA -0.347 54.502 54.840 0.015 0.000 0.845 53 L CB 0.581 42.651 42.059 0.018 0.000 1.119 53 L HN 0.146 nan 8.230 nan 0.000 0.464 54 A N 5.102 127.931 122.820 0.014 0.000 2.406 54 A HA 0.238 4.558 4.320 -0.000 0.000 0.243 54 A C -1.483 176.110 177.584 0.014 0.000 1.082 54 A CA -0.949 51.095 52.037 0.012 0.000 0.786 54 A CB -0.211 18.796 19.000 0.011 0.000 1.029 54 A HN 0.650 nan 8.150 nan 0.000 0.495 55 P HA -0.147 nan 4.420 nan 0.000 0.217 55 P C 0.486 177.795 177.300 0.015 0.000 1.148 55 P CA 1.941 65.047 63.100 0.011 0.000 0.834 55 P CB -0.034 31.670 31.700 0.007 0.000 0.783 56 N N -1.658 117.053 118.700 0.019 0.000 2.203 56 N HA 0.070 4.810 4.740 -0.000 0.000 0.207 56 N C 0.177 175.712 175.510 0.041 0.000 1.130 56 N CA -0.185 52.880 53.050 0.026 0.000 0.861 56 N CB 0.296 38.795 38.487 0.021 0.000 1.005 56 N HN 0.260 nan 8.380 nan 0.000 0.507 57 E N 0.674 120.900 120.200 0.043 0.000 2.314 57 E HA 0.442 4.792 4.350 -0.000 0.000 0.262 57 E C -0.711 175.928 176.600 0.065 0.000 1.093 57 E CA -0.402 56.037 56.400 0.064 0.000 0.908 57 E CB 2.050 31.782 29.700 0.054 0.000 1.091 57 E HN -0.182 nan 8.360 nan 0.000 0.425 58 V N 2.180 122.150 119.914 0.094 0.000 2.971 58 V HA 0.376 4.496 4.120 -0.000 0.000 0.309 58 V C -0.756 175.369 176.094 0.052 0.000 1.130 58 V CA -0.671 61.659 62.300 0.050 0.000 0.964 58 V CB 1.960 33.795 31.823 0.021 0.000 1.029 58 V HN 0.504 nan 8.190 nan 0.000 0.427 59 I N 4.300 124.873 120.570 0.006 0.000 2.378 59 I HA 0.668 4.838 4.170 -0.000 0.000 0.291 59 I C -0.441 175.659 176.117 -0.029 0.000 0.992 59 I CA -0.871 60.447 61.300 0.031 0.000 1.154 59 I CB 1.923 39.949 38.000 0.045 0.000 1.315 59 I HN 0.509 nan 8.210 nan 0.000 0.448 60 V N 2.821 122.716 119.914 -0.033 0.000 2.960 60 V HA 0.630 4.750 4.120 -0.000 0.000 0.315 60 V C -0.682 175.483 176.094 0.119 0.000 1.087 60 V CA -0.918 61.339 62.300 -0.073 0.000 0.982 60 V CB 1.948 33.541 31.823 -0.384 0.000 1.039 60 V HN 0.784 nan 8.190 nan 0.000 0.437 61 K N 1.746 122.202 120.400 0.092 0.000 2.358 61 K HA 0.530 4.850 4.320 -0.000 0.000 0.260 61 K C -0.294 176.267 176.600 -0.064 0.000 0.956 61 K CA -0.319 55.933 56.287 -0.058 0.000 0.834 61 K CB 1.625 34.078 32.500 -0.080 0.000 1.102 61 K HN 0.945 nan 8.250 nan 0.000 0.431 62 T N 4.942 119.366 114.554 -0.217 0.000 2.902 62 T HA 0.069 4.418 4.350 -0.000 0.000 0.301 62 T C 1.279 175.664 174.700 -0.525 0.000 1.012 62 T CA -0.037 61.728 62.100 -0.559 0.000 1.151 62 T CB 0.562 68.854 68.868 -0.960 0.000 0.946 62 T HN 0.572 nan 8.240 nan 0.000 0.542 63 L N 1.638 122.597 121.223 -0.439 0.000 2.425 63 L HA 0.395 4.735 4.340 -0.000 0.000 0.215 63 L C 1.297 178.112 176.870 -0.091 0.000 1.065 63 L CA 0.096 54.783 54.840 -0.256 0.000 0.842 63 L CB 0.181 41.984 42.059 -0.427 0.000 1.033 63 L HN 0.849 nan 8.230 nan 0.000 0.474 64 G N -0.564 108.130 108.800 -0.177 0.000 2.633 64 G HA2 0.421 4.381 3.960 -0.000 0.000 0.299 64 G HA3 0.421 4.381 3.960 -0.000 0.000 0.299 64 G C -1.438 173.427 174.900 -0.058 0.000 1.501 64 G CA -0.177 44.926 45.100 0.004 0.000 0.887 64 G HN -0.048 nan 8.290 nan 0.000 0.561 65 S N 1.575 117.340 115.700 0.108 0.000 2.548 65 S HA 0.880 5.350 4.470 -0.000 0.000 0.276 65 S C -3.139 171.588 174.600 0.211 0.000 1.129 65 S CA -1.364 56.930 58.200 0.158 0.000 0.931 65 S CB 3.521 66.881 63.200 0.267 0.000 1.068 65 S HN 0.641 nan 8.310 nan 0.000 0.480 66 P HA 0.495 nan 4.420 nan 0.000 0.284 66 P C -1.037 176.471 177.300 0.347 0.000 1.287 66 P CA -0.774 62.449 63.100 0.206 0.000 0.824 66 P CB 1.087 32.894 31.700 0.178 0.000 1.180 67 V N 2.514 122.570 119.914 0.236 0.000 2.311 67 V HA 0.280 4.400 4.120 -0.000 0.000 0.275 67 V C 0.174 176.439 176.094 0.286 0.000 1.022 67 V CA -0.394 62.109 62.300 0.338 0.000 0.830 67 V CB 0.100 32.003 31.823 0.133 0.000 1.012 67 V HN 0.503 nan 8.190 nan 0.000 0.452 68 N N 6.173 125.063 118.700 0.317 0.000 2.384 68 N HA 0.464 5.204 4.740 -0.000 0.000 0.301 68 N C -1.894 173.711 175.510 0.158 0.000 1.133 68 N CA -1.834 51.340 53.050 0.207 0.000 0.853 68 N CB 2.066 40.663 38.487 0.185 0.000 1.241 68 N HN 0.136 nan 8.380 nan 0.000 0.502 69 P HA -0.165 nan 4.420 nan 0.000 0.216 69 P C 1.258 178.549 177.300 -0.016 0.000 1.153 69 P CA 1.693 64.837 63.100 0.073 0.000 0.858 69 P CB 0.174 31.913 31.700 0.066 0.000 0.789 70 S N -1.128 114.527 115.700 -0.075 0.000 2.399 70 S HA -0.170 4.299 4.470 -0.000 0.000 0.231 70 S C 1.654 175.978 174.600 -0.460 0.000 1.022 70 S CA 1.334 59.297 58.200 -0.395 0.000 0.983 70 S CB -1.238 61.743 63.200 -0.364 0.000 0.803 70 S HN 0.101 nan 8.310 nan 0.000 0.480 71 D N 1.896 122.187 120.400 -0.183 0.000 2.117 71 D HA 0.022 4.662 4.640 -0.000 0.000 0.198 71 D C 1.964 178.166 176.300 -0.164 0.000 0.982 71 D CA 1.114 54.993 54.000 -0.200 0.000 0.828 71 D CB -0.322 40.434 40.800 -0.073 0.000 0.967 71 D HN 0.459 nan 8.370 nan 0.000 0.464 72 I N 1.219 121.780 120.570 -0.015 0.000 2.163 72 I HA -0.263 3.907 4.170 -0.000 0.000 0.240 72 I C 1.917 178.013 176.117 -0.035 0.000 1.081 72 I CA 1.062 62.384 61.300 0.036 0.000 1.353 72 I CB -0.392 37.673 38.000 0.109 0.000 1.054 72 I HN -0.044 nan 8.210 nan 0.000 0.407 73 N N 0.245 118.906 118.700 -0.064 0.000 2.205 73 N HA -0.283 4.457 4.740 -0.000 0.000 0.186 73 N C 1.872 177.360 175.510 -0.038 0.000 1.015 73 N CA 0.968 53.998 53.050 -0.035 0.000 0.862 73 N CB -0.158 38.320 38.487 -0.015 0.000 0.986 73 N HN 0.430 nan 8.380 nan 0.000 0.429 74 Q N 1.058 120.780 119.800 -0.130 0.000 2.050 74 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 74 Q C 2.004 178.011 176.000 0.011 0.000 0.980 74 Q CA 1.202 57.006 55.803 0.001 0.000 0.840 74 Q CB 0.022 28.728 28.738 -0.054 0.000 0.898 74 Q HN 0.425 nan 8.270 nan 0.000 0.424 75 I N 0.605 121.113 120.570 -0.104 0.000 2.286 75 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 75 I C 2.240 178.268 176.117 -0.149 0.000 1.115 75 I CA 1.247 62.369 61.300 -0.296 0.000 1.392 75 I CB -0.210 37.599 38.000 -0.318 0.000 1.065 75 I HN 0.308 nan 8.210 nan 0.000 0.418 76 Q N 0.497 120.248 119.800 -0.082 0.000 2.364 76 Q HA -0.034 4.306 4.340 -0.000 0.000 0.207 76 Q C 1.542 177.476 176.000 -0.110 0.000 0.970 76 Q CA 0.850 56.623 55.803 -0.050 0.000 0.888 76 Q CB 0.038 28.768 28.738 -0.013 0.000 0.951 76 Q HN 0.696 nan 8.270 nan 0.000 0.469 77 G N 0.650 109.278 108.800 -0.286 0.000 2.141 77 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.242 77 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.242 77 G C 0.496 175.244 174.900 -0.253 0.000 0.982 77 G CA 0.319 45.034 45.100 -0.642 0.000 0.662 77 G HN 0.480 nan 8.290 nan 0.000 0.527 78 V N -3.289 116.571 119.914 -0.090 0.000 3.043 78 V HA 0.703 4.823 4.120 -0.000 0.000 0.357 78 V C -0.082 176.050 176.094 0.063 0.000 1.372 78 V CA -0.700 61.590 62.300 -0.018 0.000 1.214 78 V CB -0.208 31.623 31.823 0.014 0.000 1.224 78 V HN 0.642 nan 8.190 nan 0.000 0.507 79 Y N 2.581 122.827 120.300 -0.090 0.000 2.332 79 Y HA 0.700 5.250 4.550 -0.001 0.000 0.326 79 Y C -2.417 173.487 175.900 0.007 0.000 0.978 79 Y CA -2.544 55.529 58.100 -0.045 0.000 1.205 79 Y CB 2.757 41.221 38.460 0.008 0.000 1.131 79 Y HN 0.135 nan 8.280 nan 0.000 0.462 80 P HA 0.079 nan 4.420 nan 0.000 0.277 80 P C -0.755 176.572 177.300 0.045 0.000 1.617 80 P CA 0.585 63.641 63.100 -0.073 0.000 0.829 80 P CB 0.059 31.697 31.700 -0.102 0.000 1.774 81 S N 0.668 116.422 115.700 0.091 0.000 2.599 81 S HA 0.468 4.938 4.470 -0.000 0.000 0.269 81 S C -1.186 173.577 174.600 0.273 0.000 1.135 81 S CA -0.740 57.558 58.200 0.164 0.000 1.027 81 S CB 0.505 63.801 63.200 0.159 0.000 1.129 81 S HN 0.290 nan 8.310 nan 0.000 0.458 82 K N 3.218 123.728 120.400 0.184 0.000 2.556 82 K HA 0.710 5.030 4.320 -0.000 0.000 0.274 82 K C -3.289 173.377 176.600 0.110 0.000 0.966 82 K CA -2.015 54.385 56.287 0.188 0.000 0.865 82 K CB 1.322 33.975 32.500 0.255 0.000 1.444 82 K HN 0.319 nan 8.250 nan 0.000 0.433 83 P HA 0.119 nan 4.420 nan 0.000 0.274 83 P C -0.617 176.678 177.300 -0.008 0.000 1.231 83 P CA -0.338 62.765 63.100 0.006 0.000 0.790 83 P CB 0.906 32.579 31.700 -0.046 0.000 0.951 84 A N 3.009 125.813 122.820 -0.027 0.000 2.386 84 A HA 0.209 4.529 4.320 -0.000 0.000 0.248 84 A C 0.270 177.809 177.584 -0.076 0.000 1.082 84 A CA -0.252 51.765 52.037 -0.033 0.000 0.789 84 A CB -0.150 18.829 19.000 -0.034 0.000 1.025 84 A HN 0.470 nan 8.150 nan 0.000 0.490 85 K N 0.699 121.051 120.400 -0.079 0.000 2.205 85 K HA 0.511 4.830 4.320 -0.000 0.000 0.279 85 K C 0.060 176.618 176.600 -0.070 0.000 1.027 85 K CA 0.106 56.324 56.287 -0.115 0.000 0.932 85 K CB 1.159 33.592 32.500 -0.112 0.000 1.032 85 K HN 0.903 nan 8.250 nan 0.000 0.466 86 T N -2.441 112.079 114.554 -0.057 0.000 2.816 86 T HA 0.176 4.526 4.350 -0.000 0.000 0.299 86 T C 0.661 175.353 174.700 -0.013 0.000 1.230 86 T CA -0.825 61.250 62.100 -0.041 0.000 1.007 86 T CB 1.405 70.234 68.868 -0.066 0.000 1.289 86 T HN 0.531 nan 8.240 nan 0.000 0.508 87 T N -1.986 112.555 114.554 -0.022 0.000 3.188 87 T HA 0.287 4.637 4.350 -0.000 0.000 0.250 87 T C 2.149 176.833 174.700 -0.025 0.000 1.077 87 T CA 0.606 62.705 62.100 -0.002 0.000 0.967 87 T CB -0.697 68.167 68.868 -0.007 0.000 1.006 87 T HN 0.967 nan 8.240 nan 0.000 0.552 88 G N 1.390 110.135 108.800 -0.093 0.000 2.507 88 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.221 88 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.221 88 G C 0.762 175.453 174.900 -0.348 0.000 1.119 88 G CA 0.408 45.359 45.100 -0.248 0.000 0.751 88 G HN 0.612 nan 8.290 nan 0.000 0.574 89 F N 0.796 120.616 119.950 -0.217 0.000 2.731 89 F HA 0.363 4.889 4.527 -0.000 0.000 0.304 89 F C 1.907 177.661 175.800 -0.078 0.000 1.133 89 F CA 0.294 58.120 58.000 -0.290 0.000 1.380 89 F CB 0.245 38.981 39.000 -0.441 0.000 1.079 89 F HN 0.248 nan 8.300 nan 0.000 0.550 90 G N 0.848 109.699 108.800 0.085 0.000 2.132 90 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.234 90 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.234 90 G C 0.279 175.238 174.900 0.097 0.000 0.989 90 G CA 0.202 45.357 45.100 0.092 0.000 0.676 90 G HN 0.462 nan 8.290 nan 0.000 0.522 91 T N -2.908 111.708 114.554 0.103 0.000 2.918 91 T HA 0.628 4.978 4.350 -0.000 0.000 0.283 91 T C 1.444 176.168 174.700 0.040 0.000 1.001 91 T CA 0.624 62.775 62.100 0.086 0.000 1.041 91 T CB 1.788 70.733 68.868 0.129 0.000 1.028 91 T HN 0.098 nan 8.240 nan 0.000 0.511 92 T N 0.731 115.293 114.554 0.013 0.000 2.812 92 T HA 0.013 4.363 4.350 -0.000 0.000 0.264 92 T C 0.714 175.413 174.700 -0.001 0.000 1.042 92 T CA 1.015 63.115 62.100 0.001 0.000 1.140 92 T CB -0.086 68.774 68.868 -0.013 0.000 0.870 92 T HN 0.580 nan 8.240 nan 0.000 0.445 93 E N 1.379 121.576 120.200 -0.005 0.000 2.248 93 E HA 0.327 4.676 4.350 -0.000 0.000 0.272 93 E C -2.624 173.981 176.600 0.008 0.000 1.008 93 E CA -2.870 53.528 56.400 -0.004 0.000 0.856 93 E CB 0.578 30.270 29.700 -0.013 0.000 1.120 93 E HN 0.091 nan 8.360 nan 0.000 0.397 94 P HA 0.104 nan 4.420 nan 0.000 0.268 94 P C -1.213 176.068 177.300 -0.031 0.000 1.204 94 P CA 0.287 63.377 63.100 -0.017 0.000 0.768 94 P CB 0.645 32.329 31.700 -0.026 0.000 0.842 95 A N 2.384 125.171 122.820 -0.055 0.000 2.475 95 A HA 0.799 5.118 4.320 -0.000 0.000 0.301 95 A C -1.089 176.314 177.584 -0.302 0.000 1.059 95 A CA -0.645 51.302 52.037 -0.151 0.000 0.710 95 A CB 1.670 20.648 19.000 -0.037 0.000 1.288 95 A HN 0.489 nan 8.150 nan 0.000 0.408 96 A N 2.322 124.761 122.820 -0.635 0.000 2.325 96 A HA 0.943 5.263 4.320 -0.000 0.000 0.333 96 A C -2.693 174.421 177.584 -0.783 0.000 1.155 96 A CA -1.849 49.777 52.037 -0.684 0.000 0.814 96 A CB 0.902 19.401 19.000 -0.836 0.000 1.206 96 A HN 0.593 nan 8.150 nan 0.000 0.482 97 P HA 0.564 nan 4.420 nan 0.000 0.282 97 P C -0.746 176.335 177.300 -0.365 0.000 1.287 97 P CA -0.382 62.415 63.100 -0.506 0.000 0.792 97 P CB 0.906 32.386 31.700 -0.367 0.000 1.163 98 C N -2.307 116.765 119.300 -0.380 0.000 2.971 98 C HA 0.891 5.351 4.460 -0.000 0.000 0.310 98 C C 0.328 174.761 174.990 -0.928 0.000 1.285 98 C CA 0.268 58.927 59.018 -0.599 0.000 1.593 98 C CB 0.767 28.060 27.740 -0.744 0.000 2.076 98 C HN 0.993 nan 8.230 nan 0.000 0.472 99 G N 2.118 110.145 108.800 -1.289 0.000 2.862 99 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.686 99 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.686 99 G C -0.321 174.434 174.900 -0.241 0.000 1.134 99 G CA -0.257 44.267 45.100 -0.959 0.000 0.791 99 G HN 0.843 nan 8.290 nan 0.000 0.592 100 N N 0.450 119.121 118.700 -0.047 0.000 2.227 100 N HA 0.079 4.819 4.740 -0.000 0.000 0.196 100 N C 0.751 176.353 175.510 0.154 0.000 1.142 100 N CA 1.106 54.199 53.050 0.071 0.000 0.887 100 N CB 1.013 39.540 38.487 0.067 0.000 1.022 100 N HN 0.946 nan 8.380 nan 0.000 0.500 101 E N -0.489 119.823 120.200 0.187 0.000 2.393 101 E HA 0.705 5.055 4.350 -0.000 0.000 0.273 101 E C -0.685 176.042 176.600 0.213 0.000 0.918 101 E CA -1.073 55.447 56.400 0.200 0.000 0.773 101 E CB 2.741 32.536 29.700 0.159 0.000 1.275 101 E HN -0.062 nan 8.360 nan 0.000 0.451 102 G N 0.334 109.232 108.800 0.164 0.000 2.325 102 G HA2 0.368 4.328 3.960 -0.000 0.000 0.297 102 G HA3 0.368 4.328 3.960 -0.000 0.000 0.297 102 G C -2.279 172.563 174.900 -0.098 0.000 1.448 102 G CA -0.699 44.392 45.100 -0.015 0.000 0.838 102 G HN 0.537 nan 8.290 nan 0.000 0.579 103 L N -0.073 120.948 121.223 -0.336 0.000 2.322 103 L HA 0.953 5.293 4.340 -0.000 0.000 0.281 103 L C -1.418 175.120 176.870 -0.552 0.000 1.014 103 L CA -1.018 53.645 54.840 -0.295 0.000 0.815 103 L CB 1.016 42.869 42.059 -0.343 0.000 1.247 103 L HN 0.437 nan 8.230 nan 0.000 0.421 104 F N 2.007 121.841 119.950 -0.194 0.000 2.593 104 F HA 0.547 5.074 4.527 -0.001 0.000 0.320 104 F C -0.119 175.534 175.800 -0.245 0.000 1.060 104 F CA -0.708 57.164 58.000 -0.214 0.000 0.940 104 F CB 1.707 40.614 39.000 -0.156 0.000 1.268 104 F HN 0.451 nan 8.300 nan 0.000 0.475 105 E N 1.250 121.453 120.200 0.004 0.000 2.158 105 E HA 0.496 4.846 4.350 -0.000 0.000 0.271 105 E C -1.375 175.239 176.600 0.024 0.000 0.911 105 E CA -0.652 55.767 56.400 0.031 0.000 0.767 105 E CB 1.701 31.423 29.700 0.037 0.000 1.120 105 E HN 0.450 nan 8.360 nan 0.000 0.405 106 V N 6.551 126.469 119.914 0.008 0.000 2.529 106 V HA -0.049 4.071 4.120 -0.000 0.000 0.292 106 V C 1.172 177.267 176.094 0.002 0.000 1.028 106 V CA 0.108 62.375 62.300 -0.054 0.000 1.074 106 V CB 0.722 32.503 31.823 -0.071 0.000 0.958 106 V HN 0.787 nan 8.190 nan 0.000 0.481 107 I N 3.165 123.736 120.570 0.002 0.000 2.810 107 I HA 0.248 4.418 4.170 -0.000 0.000 0.262 107 I C 0.821 176.949 176.117 0.019 0.000 1.131 107 I CA 1.019 62.338 61.300 0.032 0.000 1.453 107 I CB -0.224 37.815 38.000 0.065 0.000 1.161 107 I HN 0.644 nan 8.210 nan 0.000 0.444 108 K N 0.692 121.095 120.400 0.005 0.000 2.562 108 K HA 0.487 4.807 4.320 -0.000 0.000 0.267 108 K C -1.366 175.234 176.600 -0.002 0.000 0.938 108 K CA -0.441 55.849 56.287 0.005 0.000 0.840 108 K CB 2.639 35.146 32.500 0.011 0.000 1.390 108 K HN -0.156 nan 8.250 nan 0.000 0.428 109 V N -0.039 119.876 119.914 0.002 0.000 2.864 109 V HA 0.859 4.979 4.120 -0.000 0.000 0.314 109 V C 0.351 176.451 176.094 0.010 0.000 1.073 109 V CA -0.403 61.900 62.300 0.005 0.000 0.956 109 V CB 1.457 33.281 31.823 0.002 0.000 1.023 109 V HN 0.826 nan 8.190 nan 0.000 0.435 110 G N 1.528 110.338 108.800 0.016 0.000 2.651 110 G HA2 0.356 4.315 3.960 -0.000 0.000 0.260 110 G HA3 0.356 4.315 3.960 -0.000 0.000 0.260 110 G C 1.082 175.988 174.900 0.011 0.000 1.216 110 G CA 0.139 45.248 45.100 0.014 0.000 0.913 110 G HN 1.645 nan 8.290 nan 0.000 0.535 111 S N -1.219 114.486 115.700 0.009 0.000 2.419 111 S HA -0.168 4.302 4.470 -0.000 0.000 0.233 111 S C 1.548 176.152 174.600 0.006 0.000 1.016 111 S CA 1.467 59.671 58.200 0.006 0.000 0.974 111 S CB -0.209 62.994 63.200 0.005 0.000 0.786 111 S HN 0.688 nan 8.310 nan 0.000 0.492 112 N N 0.581 119.286 118.700 0.008 0.000 2.230 112 N HA 0.141 4.881 4.740 -0.000 0.000 0.202 112 N C -0.783 174.732 175.510 0.009 0.000 1.119 112 N CA -0.114 52.940 53.050 0.007 0.000 0.851 112 N CB 0.508 38.999 38.487 0.007 0.000 0.990 112 N HN 0.190 nan 8.380 nan 0.000 0.497 113 V N 1.928 121.848 119.914 0.011 0.000 2.432 113 V HA 0.078 4.198 4.120 -0.000 0.000 0.271 113 V C 1.083 177.181 176.094 0.008 0.000 1.046 113 V CA 0.072 62.380 62.300 0.013 0.000 0.945 113 V CB 1.305 33.137 31.823 0.016 0.000 0.992 113 V HN 0.313 nan 8.190 nan 0.000 0.471 114 S N 1.612 117.317 115.700 0.008 0.000 2.593 114 S HA -0.037 4.433 4.470 -0.000 0.000 0.235 114 S C 1.764 176.367 174.600 0.004 0.000 1.059 114 S CA 0.394 58.596 58.200 0.004 0.000 0.953 114 S CB 0.140 63.341 63.200 0.002 0.000 0.897 114 S HN 0.769 nan 8.310 nan 0.000 0.507 115 S N 1.488 117.193 115.700 0.008 0.000 2.481 115 S HA 0.297 4.767 4.470 -0.000 0.000 0.231 115 S C 0.489 175.094 174.600 0.009 0.000 0.996 115 S CA -0.022 58.182 58.200 0.008 0.000 0.942 115 S CB -0.565 62.644 63.200 0.013 0.000 0.768 115 S HN 0.536 nan 8.310 nan 0.000 0.520 116 L N 0.749 121.976 121.223 0.007 0.000 2.415 116 L HA 0.643 4.983 4.340 -0.000 0.000 0.256 116 L C -0.846 176.021 176.870 -0.004 0.000 1.010 116 L CA -0.872 53.968 54.840 0.000 0.000 0.826 116 L CB 2.328 44.381 42.059 -0.010 0.000 1.405 116 L HN 0.360 nan 8.230 nan 0.000 0.410 117 E N 0.707 120.904 120.200 -0.005 0.000 2.449 117 E HA 0.705 5.055 4.350 -0.000 0.000 0.278 117 E C -1.154 175.446 176.600 0.001 0.000 0.992 117 E CA -1.158 55.240 56.400 -0.003 0.000 0.807 117 E CB 1.772 31.471 29.700 -0.001 0.000 1.350 117 E HN 0.583 nan 8.360 nan 0.000 0.462 118 A N 0.330 123.153 122.820 0.005 0.000 2.587 118 A HA 0.362 4.682 4.320 -0.000 0.000 0.235 118 A C 1.340 178.940 177.584 0.027 0.000 1.044 118 A CA 1.269 53.315 52.037 0.015 0.000 0.754 118 A CB -1.079 17.931 19.000 0.016 0.000 0.968 118 A HN 1.548 nan 8.150 nan 0.000 0.509 119 G N 1.884 110.715 108.800 0.052 0.000 2.241 119 G HA2 -0.216 3.743 3.960 -0.000 0.000 0.244 119 G HA3 -0.216 3.743 3.960 -0.000 0.000 0.244 119 G C 0.087 175.063 174.900 0.127 0.000 0.998 119 G CA 0.395 45.545 45.100 0.084 0.000 0.621 119 G HN 0.882 nan 8.290 nan 0.000 0.519 120 D N -0.047 120.408 120.400 0.092 0.000 2.400 120 D HA 0.342 4.982 4.640 -0.000 0.000 0.238 120 D C 0.174 176.647 176.300 0.289 0.000 1.157 120 D CA 0.232 54.301 54.000 0.115 0.000 0.889 120 D CB 0.313 41.144 40.800 0.052 0.000 1.199 120 D HN 0.205 nan 8.370 nan 0.000 0.436 121 W N 1.603 122.895 121.300 -0.014 0.000 2.433 121 W HA 0.433 5.093 4.660 -0.001 0.000 0.315 121 W C -0.119 176.408 176.519 0.012 0.000 1.087 121 W CA -0.849 56.498 57.345 0.004 0.000 1.205 121 W CB 0.606 30.071 29.460 0.007 0.000 1.288 121 W HN 0.041 nan 8.180 nan 0.000 0.504 122 V N 2.880 122.911 119.914 0.194 0.000 3.159 122 V HA 0.777 4.897 4.120 -0.000 0.000 0.308 122 V C -0.598 175.647 176.094 0.252 0.000 1.190 122 V CA -1.491 60.904 62.300 0.159 0.000 1.037 122 V CB 1.865 33.703 31.823 0.026 0.000 1.060 122 V HN 0.459 nan 8.190 nan 0.000 0.437 123 I N -1.776 118.941 120.570 0.246 0.000 2.892 123 I HA 0.838 5.007 4.170 -0.000 0.000 0.306 123 I C -2.886 173.353 176.117 0.204 0.000 1.078 123 I CA -2.857 58.609 61.300 0.277 0.000 1.032 123 I CB 2.214 40.306 38.000 0.155 0.000 1.229 123 I HN 0.373 nan 8.210 nan 0.000 0.435 124 P HA 0.073 nan 4.420 nan 0.000 0.269 124 P C 0.398 177.558 177.300 -0.233 0.000 1.209 124 P CA -0.101 62.856 63.100 -0.238 0.000 0.776 124 P CB 0.798 32.424 31.700 -0.124 0.000 0.876 125 S N 0.737 116.193 115.700 -0.406 0.000 2.527 125 S HA 0.029 4.498 4.470 -0.000 0.000 0.222 125 S C 0.529 174.686 174.600 -0.738 0.000 0.985 125 S CA 0.606 58.516 58.200 -0.483 0.000 0.921 125 S CB -0.495 62.394 63.200 -0.518 0.000 0.772 125 S HN 0.457 nan 8.310 nan 0.000 0.529 126 H N 0.126 119.104 119.070 -0.153 0.000 2.985 126 H HA 0.495 5.051 4.556 -0.001 0.000 0.360 126 H C -0.250 175.058 175.328 -0.035 0.000 1.221 126 H CA -0.647 55.346 56.048 -0.091 0.000 1.121 126 H CB 1.696 31.403 29.762 -0.092 0.000 1.854 126 H HN 0.153 nan 8.280 nan 0.000 0.551 127 V N -0.200 119.789 119.914 0.125 0.000 3.319 127 V HA 0.179 4.299 4.120 -0.000 0.000 0.303 127 V C 0.674 176.842 176.094 0.122 0.000 1.094 127 V CA -0.671 61.691 62.300 0.104 0.000 1.106 127 V CB 0.384 32.252 31.823 0.074 0.000 1.099 127 V HN 0.971 nan 8.190 nan 0.000 0.476 128 N N -1.085 117.685 118.700 0.116 0.000 2.782 128 N HA -0.253 4.487 4.740 -0.000 0.000 0.251 128 N C -0.003 175.569 175.510 0.104 0.000 1.101 128 N CA 1.470 54.573 53.050 0.088 0.000 0.764 128 N CB -1.701 36.827 38.487 0.068 0.000 1.122 128 N HN 0.920 nan 8.380 nan 0.000 0.561 129 F N 0.935 120.877 119.950 -0.013 0.000 2.335 129 F HA 0.258 4.785 4.527 -0.001 0.000 0.296 129 F C 1.451 177.256 175.800 0.009 0.000 1.091 129 F CA 1.715 59.698 58.000 -0.028 0.000 1.399 129 F CB 0.124 39.087 39.000 -0.062 0.000 1.067 129 F HN 0.253 nan 8.300 nan 0.000 0.520 130 G N 0.563 109.392 108.800 0.048 0.000 3.391 130 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.683 130 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.683 130 G C 0.310 175.308 174.900 0.164 0.000 1.071 130 G CA 0.038 45.103 45.100 -0.059 0.000 0.904 130 G HN 0.637 nan 8.290 nan 0.000 0.452 131 T N -2.054 112.615 114.554 0.193 0.000 3.040 131 T HA 0.247 4.597 4.350 -0.000 0.000 0.266 131 T C 0.331 175.263 174.700 0.387 0.000 1.005 131 T CA 0.117 62.475 62.100 0.431 0.000 0.906 131 T CB 0.284 69.407 68.868 0.426 0.000 1.082 131 T HN 0.597 nan 8.240 nan 0.000 0.531 132 W N 4.808 126.049 121.300 -0.099 0.000 2.085 132 W HA 0.608 5.267 4.660 -0.001 0.000 0.392 132 W C 0.609 177.042 176.519 -0.143 0.000 0.862 132 W CA -1.626 55.505 57.345 -0.358 0.000 1.542 132 W CB -0.830 28.090 29.460 -0.901 0.000 1.672 132 W HN 0.450 nan 8.180 nan 0.000 0.309 133 R N -1.323 119.321 120.500 0.240 0.000 2.774 133 R HA 0.338 4.677 4.340 -0.000 0.000 0.279 133 R C 0.694 177.012 176.300 0.031 0.000 1.022 133 R CA -0.334 55.886 56.100 0.201 0.000 0.855 133 R CB 0.348 30.795 30.300 0.246 0.000 1.279 133 R HN -0.032 nan 8.270 nan 0.000 0.485 134 T N -3.212 111.384 114.554 0.070 0.000 3.014 134 T HA 0.176 4.526 4.350 -0.000 0.000 0.263 134 T C 0.142 174.645 174.700 -0.328 0.000 1.078 134 T CA 0.953 62.944 62.100 -0.182 0.000 1.135 134 T CB -0.363 68.562 68.868 0.095 0.000 0.895 134 T HN 0.641 nan 8.240 nan 0.000 0.480 135 H N -0.171 118.979 119.070 0.134 0.000 2.960 135 H HA 0.792 5.347 4.556 -0.000 0.000 0.323 135 H C -0.995 174.530 175.328 0.329 0.000 1.326 135 H CA -0.551 55.605 56.048 0.179 0.000 1.124 135 H CB 1.783 31.577 29.762 0.053 0.000 1.853 135 H HN 0.428 nan 8.280 nan 0.000 0.536 136 A N 0.943 124.019 122.820 0.426 0.000 2.589 136 A HA 0.562 4.882 4.320 -0.000 0.000 0.296 136 A C -2.073 175.701 177.584 0.317 0.000 1.062 136 A CA -0.536 51.734 52.037 0.388 0.000 0.686 136 A CB 1.414 20.666 19.000 0.419 0.000 1.282 136 A HN 0.469 nan 8.150 nan 0.000 0.404 137 L N 1.587 122.972 121.223 0.269 0.000 2.322 137 L HA 0.926 5.265 4.340 -0.000 0.000 0.281 137 L C 0.270 177.299 176.870 0.265 0.000 1.014 137 L CA 0.784 55.751 54.840 0.211 0.000 0.815 137 L CB 1.501 43.633 42.059 0.122 0.000 1.247 137 L HN 1.353 nan 8.230 nan 0.000 0.421 138 G N 3.239 112.232 108.800 0.321 0.000 2.682 138 G HA2 0.331 4.291 3.960 -0.000 0.000 0.303 138 G HA3 0.331 4.291 3.960 -0.000 0.000 0.303 138 G C -1.542 173.494 174.900 0.226 0.000 1.341 138 G CA -0.963 44.326 45.100 0.314 0.000 0.784 138 G HN 0.651 nan 8.290 nan 0.000 0.497 139 N N -0.054 118.724 118.700 0.130 0.000 2.495 139 N HA 0.314 5.053 4.740 -0.000 0.000 0.280 139 N C 0.645 176.239 175.510 0.139 0.000 1.168 139 N CA -0.322 52.784 53.050 0.094 0.000 0.978 139 N CB 1.596 40.102 38.487 0.030 0.000 1.191 139 N HN 0.613 nan 8.380 nan 0.000 0.497 140 D N 0.169 120.642 120.400 0.121 0.000 2.182 140 D HA -0.233 4.407 4.640 -0.000 0.000 0.201 140 D C 0.869 177.233 176.300 0.106 0.000 0.986 140 D CA 1.273 55.361 54.000 0.147 0.000 0.847 140 D CB -0.355 40.490 40.800 0.076 0.000 0.942 140 D HN 0.643 nan 8.370 nan 0.000 0.467 141 D N 0.019 120.434 120.400 0.024 0.000 2.363 141 D HA -0.117 4.522 4.640 -0.000 0.000 0.226 141 D C 0.582 176.808 176.300 -0.123 0.000 1.020 141 D CA 0.213 54.200 54.000 -0.023 0.000 0.892 141 D CB -0.297 40.499 40.800 -0.007 0.000 0.900 141 D HN 0.099 nan 8.370 nan 0.000 0.531 142 D N -0.682 119.549 120.400 -0.281 0.000 2.340 142 D HA 0.084 4.724 4.640 -0.000 0.000 0.220 142 D C -0.232 175.410 176.300 -1.097 0.000 1.039 142 D CA 0.251 53.833 54.000 -0.695 0.000 0.866 142 D CB 0.185 40.379 40.800 -1.010 0.000 0.913 142 D HN 0.251 nan 8.370 nan 0.000 0.523 143 F N -0.165 119.628 119.950 -0.263 0.000 2.593 143 F HA 0.496 5.023 4.527 -0.001 0.000 0.320 143 F C 0.151 175.855 175.800 -0.160 0.000 1.060 143 F CA -1.091 56.757 58.000 -0.253 0.000 0.940 143 F CB 1.923 40.782 39.000 -0.236 0.000 1.268 143 F HN -0.399 nan 8.300 nan 0.000 0.475 144 I N 1.671 122.292 120.570 0.085 0.000 2.465 144 I HA 0.300 4.470 4.170 -0.000 0.000 0.291 144 I C -0.514 175.647 176.117 0.074 0.000 1.014 144 I CA -0.933 60.386 61.300 0.032 0.000 1.093 144 I CB 2.068 40.054 38.000 -0.023 0.000 1.267 144 I HN 0.503 nan 8.210 nan 0.000 0.431 145 K N 7.118 127.551 120.400 0.055 0.000 2.276 145 K HA 0.551 4.871 4.320 -0.000 0.000 0.283 145 K C -1.281 175.361 176.600 0.070 0.000 1.044 145 K CA -0.322 56.005 56.287 0.067 0.000 0.944 145 K CB 0.849 33.374 32.500 0.041 0.000 1.012 145 K HN 0.559 nan 8.250 nan 0.000 0.472 146 L N 5.728 127.020 121.223 0.116 0.000 2.330 146 L HA 0.518 4.858 4.340 -0.000 0.000 0.271 146 L C -2.087 174.834 176.870 0.085 0.000 1.013 146 L CA -2.547 52.363 54.840 0.116 0.000 0.816 146 L CB 1.872 44.048 42.059 0.194 0.000 1.287 146 L HN 0.640 nan 8.230 nan 0.000 0.435 147 P HA 0.095 nan 4.420 nan 0.000 0.276 147 P C -1.428 175.779 177.300 -0.156 0.000 1.230 147 P CA -0.387 62.682 63.100 -0.052 0.000 0.776 147 P CB 0.692 32.363 31.700 -0.048 0.000 0.888 148 N N 3.573 122.064 118.700 -0.349 0.000 2.458 148 N HA 0.266 5.005 4.740 -0.000 0.000 0.271 148 N C -2.112 173.003 175.510 -0.658 0.000 1.210 148 N CA -2.256 50.256 53.050 -0.896 0.000 0.978 148 N CB -0.930 36.743 38.487 -1.357 0.000 1.206 148 N HN 0.058 nan 8.380 nan 0.000 0.536 149 P HA -0.174 nan 4.420 nan 0.000 0.216 149 P C 1.012 178.155 177.300 -0.261 0.000 1.153 149 P CA 2.543 65.406 63.100 -0.396 0.000 0.858 149 P CB -0.140 31.356 31.700 -0.340 0.000 0.789 150 A N -0.568 122.088 122.820 -0.272 0.000 1.908 150 A HA -0.286 4.033 4.320 -0.000 0.000 0.218 150 A C 2.205 179.704 177.584 -0.141 0.000 1.181 150 A CA 1.852 53.788 52.037 -0.168 0.000 0.627 150 A CB -1.318 17.593 19.000 -0.148 0.000 0.818 150 A HN 0.231 nan 8.150 nan 0.000 0.445 151 Q N -0.642 119.055 119.800 -0.172 0.000 2.123 151 Q HA -0.058 4.282 4.340 -0.000 0.000 0.199 151 Q C 2.439 178.378 176.000 -0.102 0.000 0.966 151 Q CA 1.456 57.185 55.803 -0.124 0.000 0.845 151 Q CB -0.136 28.526 28.738 -0.127 0.000 0.907 151 Q HN 0.621 nan 8.270 nan 0.000 0.439 152 S N 0.870 116.497 115.700 -0.122 0.000 2.356 152 S HA -0.149 4.320 4.470 -0.000 0.000 0.223 152 S C 1.723 176.287 174.600 -0.061 0.000 1.032 152 S CA 1.185 59.337 58.200 -0.081 0.000 1.005 152 S CB -0.075 63.076 63.200 -0.082 0.000 0.867 152 S HN 0.261 nan 8.310 nan 0.000 0.449 153 K N 1.152 121.509 120.400 -0.071 0.000 2.057 153 K HA 0.004 4.324 4.320 -0.000 0.000 0.207 153 K C 2.329 178.904 176.600 -0.042 0.000 1.049 153 K CA 1.174 57.431 56.287 -0.050 0.000 0.931 153 K CB -0.304 32.165 32.500 -0.053 0.000 0.714 153 K HN 0.329 nan 8.250 nan 0.000 0.440 154 A N 1.576 124.366 122.820 -0.050 0.000 2.015 154 A HA -0.120 4.200 4.320 -0.000 0.000 0.219 154 A C 1.416 178.980 177.584 -0.033 0.000 1.163 154 A CA 1.336 53.349 52.037 -0.040 0.000 0.646 154 A CB -0.229 18.744 19.000 -0.044 0.000 0.806 154 A HN 0.233 nan 8.150 nan 0.000 0.448 155 N N -0.610 118.069 118.700 -0.036 0.000 2.383 155 N HA 0.156 4.896 4.740 -0.000 0.000 0.192 155 N C 1.049 176.547 175.510 -0.020 0.000 1.141 155 N CA 0.927 53.961 53.050 -0.028 0.000 0.851 155 N CB 0.290 38.759 38.487 -0.030 0.000 0.976 155 N HN 0.598 nan 8.380 nan 0.000 0.465 156 G N 0.745 109.533 108.800 -0.020 0.000 2.147 156 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.244 156 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.244 156 G C -0.085 174.811 174.900 -0.007 0.000 1.005 156 G CA 0.014 45.106 45.100 -0.013 0.000 0.713 156 G HN 0.126 nan 8.290 nan 0.000 0.515 157 K N -0.109 120.285 120.400 -0.009 0.000 2.218 157 K HA 0.351 4.671 4.320 -0.000 0.000 0.276 157 K C -1.152 175.451 176.600 0.005 0.000 1.022 157 K CA -1.864 54.424 56.287 0.002 0.000 0.946 157 K CB 1.153 33.654 32.500 0.001 0.000 1.000 157 K HN -0.020 nan 8.250 nan 0.000 0.468 158 P HA -0.114 nan 4.420 nan 0.000 0.216 158 P C -0.339 176.973 177.300 0.021 0.000 1.150 158 P CA 1.365 64.477 63.100 0.020 0.000 0.837 158 P CB 0.367 32.086 31.700 0.031 0.000 0.786 159 N N -1.816 116.902 118.700 0.030 0.000 2.455 159 N HA 0.487 5.227 4.740 -0.000 0.000 0.278 159 N C -0.524 174.994 175.510 0.013 0.000 1.291 159 N CA -0.530 52.537 53.050 0.028 0.000 0.780 159 N CB 2.201 40.724 38.487 0.060 0.000 1.520 159 N HN -0.119 nan 8.380 nan 0.000 0.486 160 G N 0.118 108.914 108.800 -0.008 0.000 2.533 160 G HA2 0.587 4.546 3.960 -0.000 0.000 0.304 160 G HA3 0.587 4.546 3.960 -0.000 0.000 0.304 160 G C -0.372 174.509 174.900 -0.031 0.000 1.263 160 G CA -0.625 44.446 45.100 -0.048 0.000 0.964 160 G HN 0.339 nan 8.290 nan 0.000 0.479 161 L N 1.054 122.256 121.223 -0.035 0.000 2.483 161 L HA 0.267 4.607 4.340 -0.000 0.000 0.276 161 L C 1.480 178.427 176.870 0.128 0.000 1.213 161 L CA -0.303 54.540 54.840 0.005 0.000 0.843 161 L CB 0.631 42.762 42.059 0.119 0.000 1.107 161 L HN 0.718 nan 8.230 nan 0.000 0.487 162 T N -1.577 113.012 114.554 0.059 0.000 2.897 162 T HA 0.335 4.685 4.350 -0.000 0.000 0.278 162 T C 1.448 176.230 174.700 0.138 0.000 0.981 162 T CA -0.950 61.224 62.100 0.124 0.000 0.973 162 T CB 1.377 70.260 68.868 0.024 0.000 1.092 162 T HN 0.300 nan 8.240 nan 0.000 0.543 163 I N 1.247 121.851 120.570 0.058 0.000 2.127 163 I HA -0.153 4.017 4.170 -0.000 0.000 0.241 163 I C 2.546 178.601 176.117 -0.104 0.000 1.075 163 I CA 1.842 63.058 61.300 -0.141 0.000 1.334 163 I CB -1.650 36.274 38.000 -0.126 0.000 1.040 163 I HN 0.771 nan 8.210 nan 0.000 0.405 164 N N 0.877 119.553 118.700 -0.041 0.000 2.166 164 N HA -0.219 4.521 4.740 -0.000 0.000 0.186 164 N C 1.883 177.398 175.510 0.009 0.000 1.019 164 N CA 1.371 54.416 53.050 -0.009 0.000 0.856 164 N CB -0.026 38.472 38.487 0.018 0.000 0.993 164 N HN 0.364 nan 8.380 nan 0.000 0.426 165 Q N -1.038 118.733 119.800 -0.047 0.000 2.084 165 Q HA -0.016 4.324 4.340 -0.000 0.000 0.202 165 Q C 2.064 178.039 176.000 -0.043 0.000 0.978 165 Q CA 1.412 57.130 55.803 -0.141 0.000 0.844 165 Q CB -0.301 28.084 28.738 -0.589 0.000 0.898 165 Q HN 0.512 nan 8.270 nan 0.000 0.426 166 G N 0.385 109.175 108.800 -0.018 0.000 2.394 166 G HA2 -0.157 3.802 3.960 -0.000 0.000 0.215 166 G HA3 -0.157 3.802 3.960 -0.000 0.000 0.215 166 G C 1.426 176.332 174.900 0.009 0.000 1.165 166 G CA 0.657 45.779 45.100 0.036 0.000 0.784 166 G HN 0.403 nan 8.290 nan 0.000 0.535 167 A N 0.416 123.214 122.820 -0.037 0.000 2.121 167 A HA 0.140 4.460 4.320 -0.000 0.000 0.218 167 A C 2.214 179.834 177.584 0.060 0.000 1.154 167 A CA 2.169 54.194 52.037 -0.020 0.000 0.679 167 A CB -0.392 18.575 19.000 -0.054 0.000 0.795 167 A HN 0.544 nan 8.150 nan 0.000 0.458 168 T N -4.026 110.583 114.554 0.091 0.000 3.200 168 T HA 0.359 4.709 4.350 -0.000 0.000 0.284 168 T C 1.131 175.896 174.700 0.109 0.000 1.009 168 T CA 0.063 62.241 62.100 0.131 0.000 0.907 168 T CB -0.221 68.761 68.868 0.189 0.000 1.120 168 T HN 0.256 nan 8.240 nan 0.000 0.534 169 I N 1.094 121.725 120.570 0.102 0.000 2.761 169 I HA -0.047 4.123 4.170 -0.000 0.000 0.261 169 I C 1.893 178.029 176.117 0.033 0.000 1.198 169 I CA 0.567 61.920 61.300 0.089 0.000 1.482 169 I CB 0.198 38.283 38.000 0.141 0.000 1.100 169 I HN 0.259 nan 8.210 nan 0.000 0.445 170 S N -0.339 115.392 115.700 0.052 0.000 2.395 170 S HA -0.050 4.419 4.470 -0.000 0.000 0.225 170 S C 1.696 176.326 174.600 0.050 0.000 1.027 170 S CA 1.043 59.269 58.200 0.044 0.000 0.965 170 S CB 0.185 63.423 63.200 0.063 0.000 0.812 170 S HN 0.282 nan 8.310 nan 0.000 0.482 171 V N 2.181 122.140 119.914 0.074 0.000 2.635 171 V HA 0.067 4.187 4.120 -0.000 0.000 0.233 171 V C 1.884 178.038 176.094 0.101 0.000 1.097 171 V CA 0.846 63.212 62.300 0.111 0.000 1.134 171 V CB -0.742 31.173 31.823 0.154 0.000 0.841 171 V HN 0.281 nan 8.190 nan 0.000 0.496 172 N N 0.678 119.426 118.700 0.080 0.000 2.106 172 N HA -0.077 4.663 4.740 -0.000 0.000 0.188 172 N C -0.621 174.810 175.510 -0.132 0.000 1.029 172 N CA 1.652 54.743 53.050 0.069 0.000 0.848 172 N CB -1.664 36.962 38.487 0.232 0.000 1.007 172 N HN 0.362 nan 8.380 nan 0.000 0.423 173 P HA -0.033 nan 4.420 nan 0.000 0.216 173 P C 1.551 178.779 177.300 -0.121 0.000 1.153 173 P CA 0.868 63.656 63.100 -0.520 0.000 0.848 173 P CB 0.013 31.354 31.700 -0.598 0.000 0.787 174 L N -1.718 119.472 121.223 -0.056 0.000 2.093 174 L HA -0.120 4.219 4.340 -0.000 0.000 0.208 174 L C 2.273 179.211 176.870 0.113 0.000 1.085 174 L CA 1.560 56.423 54.840 0.038 0.000 0.755 174 L CB -1.751 40.327 42.059 0.032 0.000 0.904 174 L HN 0.037 nan 8.230 nan 0.000 0.435 175 T N 0.448 115.067 114.554 0.108 0.000 2.652 175 T HA -0.203 4.146 4.350 -0.000 0.000 0.267 175 T C 2.089 176.663 174.700 -0.210 0.000 1.039 175 T CA 1.652 63.804 62.100 0.087 0.000 1.153 175 T CB -0.233 68.712 68.868 0.129 0.000 0.863 175 T HN 0.453 nan 8.240 nan 0.000 0.428 176 A N 0.268 123.013 122.820 -0.126 0.000 1.883 176 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 176 A C 2.115 179.637 177.584 -0.104 0.000 1.186 176 A CA 1.868 53.820 52.037 -0.142 0.000 0.624 176 A CB -1.141 17.880 19.000 0.035 0.000 0.822 176 A HN 0.617 nan 8.150 nan 0.000 0.444 177 Y N 0.267 120.520 120.300 -0.079 0.000 2.114 177 Y HA -0.167 4.383 4.550 -0.000 0.000 0.284 177 Y C 2.096 177.973 175.900 -0.039 0.000 1.143 177 Y CA 2.046 60.129 58.100 -0.028 0.000 1.135 177 Y CB -0.269 38.184 38.460 -0.012 0.000 0.980 177 Y HN 0.221 nan 8.280 nan 0.000 0.499 178 L N -0.666 120.632 121.223 0.126 0.000 2.046 178 L HA -0.285 4.055 4.340 -0.000 0.000 0.208 178 L C 2.541 179.425 176.870 0.023 0.000 1.077 178 L CA 1.547 56.453 54.840 0.110 0.000 0.747 178 L CB -0.520 41.683 42.059 0.240 0.000 0.896 178 L HN 0.335 nan 8.230 nan 0.000 0.432 179 M N -0.690 118.709 119.600 -0.335 0.000 2.149 179 M HA -0.232 4.248 4.480 -0.000 0.000 0.261 179 M C 2.173 178.386 176.300 -0.145 0.000 1.064 179 M CA 1.747 56.819 55.300 -0.380 0.000 1.102 179 M CB -0.284 31.878 32.600 -0.729 0.000 1.369 179 M HN 0.271 nan 8.290 nan 0.000 0.408 180 L N -0.828 120.259 121.223 -0.227 0.000 2.341 180 L HA -0.077 4.263 4.340 -0.000 0.000 0.214 180 L C 2.346 179.186 176.870 -0.050 0.000 1.115 180 L CA 1.266 55.987 54.840 -0.199 0.000 0.820 180 L CB -0.452 41.443 42.059 -0.274 0.000 0.944 180 L HN 0.448 nan 8.230 nan 0.000 0.452 181 T N -7.070 107.429 114.554 -0.091 0.000 2.955 181 T HA -0.041 4.309 4.350 -0.000 0.000 0.251 181 T C 1.617 176.341 174.700 0.040 0.000 1.002 181 T CA -0.084 61.992 62.100 -0.040 0.000 0.970 181 T CB -0.174 68.560 68.868 -0.223 0.000 1.091 181 T HN 0.260 nan 8.240 nan 0.000 0.495 182 H N -0.761 118.260 119.070 -0.081 0.000 2.551 182 H HA 0.197 4.752 4.556 -0.000 0.000 0.266 182 H C 0.657 175.657 175.328 -0.547 0.000 0.964 182 H CA 0.589 56.467 56.048 -0.285 0.000 1.180 182 H CB 0.364 29.910 29.762 -0.359 0.000 1.408 182 H HN 0.463 nan 8.280 nan 0.000 0.563 183 Y N -1.158 119.136 120.300 -0.009 0.000 2.609 183 Y HA 0.198 4.748 4.550 -0.001 0.000 0.281 183 Y C 0.419 176.286 175.900 -0.056 0.000 1.132 183 Y CA 0.142 58.212 58.100 -0.051 0.000 1.264 183 Y CB 0.957 39.417 38.460 -0.001 0.000 1.325 183 Y HN -0.095 nan 8.280 nan 0.000 0.514 184 V N 0.971 120.937 119.914 0.087 0.000 2.760 184 V HA 0.369 4.489 4.120 -0.000 0.000 0.309 184 V C -1.157 174.921 176.094 -0.026 0.000 1.077 184 V CA -1.283 61.031 62.300 0.023 0.000 0.910 184 V CB 1.995 33.836 31.823 0.030 0.000 1.008 184 V HN 0.084 nan 8.190 nan 0.000 0.424 185 K N 6.441 126.820 120.400 -0.035 0.000 2.316 185 K HA 0.480 4.800 4.320 -0.000 0.000 0.289 185 K C -0.988 175.543 176.600 -0.116 0.000 1.070 185 K CA -0.413 55.843 56.287 -0.052 0.000 0.928 185 K CB 0.475 32.966 32.500 -0.014 0.000 1.039 185 K HN 0.685 nan 8.250 nan 0.000 0.480 186 L N 4.117 125.169 121.223 -0.285 0.000 2.275 186 L HA 0.214 4.554 4.340 -0.000 0.000 0.288 186 L C 0.230 176.942 176.870 -0.262 0.000 1.046 186 L CA -0.717 53.862 54.840 -0.436 0.000 0.805 186 L CB 1.573 42.998 42.059 -1.057 0.000 1.193 186 L HN 0.635 nan 8.230 nan 0.000 0.426 187 T N 4.502 118.999 114.554 -0.096 0.000 2.799 187 T HA 0.153 4.503 4.350 -0.000 0.000 0.296 187 T C -2.260 172.492 174.700 0.086 0.000 0.947 187 T CA -0.858 61.254 62.100 0.020 0.000 1.141 187 T CB 0.496 69.381 68.868 0.029 0.000 0.891 187 T HN 0.315 nan 8.240 nan 0.000 0.533 188 P HA 0.170 nan 4.420 nan 0.000 0.266 188 P C 1.100 178.465 177.300 0.109 0.000 1.195 188 P CA 0.748 63.989 63.100 0.235 0.000 0.768 188 P CB 0.315 32.124 31.700 0.182 0.000 0.838 189 G N 1.942 110.786 108.800 0.073 0.000 2.184 189 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.264 189 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.264 189 G C 0.893 175.788 174.900 -0.009 0.000 0.975 189 G CA 0.525 45.629 45.100 0.007 0.000 0.642 189 G HN 0.543 nan 8.290 nan 0.000 0.536 190 K N -0.699 119.703 120.400 0.003 0.000 2.638 190 K HA 0.134 4.454 4.320 -0.000 0.000 0.207 190 K C 0.187 176.809 176.600 0.037 0.000 1.429 190 K CA 0.038 56.342 56.287 0.028 0.000 0.957 190 K CB 0.150 32.688 32.500 0.064 0.000 1.733 190 K HN 0.248 nan 8.250 nan 0.000 0.474 191 D N 0.544 120.963 120.400 0.033 0.000 2.361 191 D HA 0.108 4.748 4.640 -0.000 0.000 0.239 191 D C -0.275 176.043 176.300 0.031 0.000 1.200 191 D CA 0.411 54.471 54.000 0.100 0.000 0.915 191 D CB 0.479 41.283 40.800 0.006 0.000 1.170 191 D HN -0.057 nan 8.370 nan 0.000 0.444 192 W N 0.181 121.470 121.300 -0.017 0.000 2.882 192 W HA 0.493 5.153 4.660 -0.000 0.000 0.345 192 W C -0.456 176.104 176.519 0.068 0.000 1.125 192 W CA -0.976 56.359 57.345 -0.018 0.000 1.167 192 W CB 0.688 30.131 29.460 -0.028 0.000 1.431 192 W HN 0.200 nan 8.180 nan 0.000 0.543 193 F N 1.103 121.215 119.950 0.271 0.000 2.588 193 F HA 0.841 5.367 4.527 -0.000 0.000 0.314 193 F C -1.340 174.598 175.800 0.230 0.000 1.069 193 F CA -1.855 56.254 58.000 0.181 0.000 0.931 193 F CB 1.361 40.425 39.000 0.107 0.000 1.260 193 F HN 0.293 nan 8.300 nan 0.000 0.465 194 I N 2.799 123.590 120.570 0.367 0.000 2.608 194 I HA 0.486 4.656 4.170 -0.000 0.000 0.295 194 I C -1.670 174.645 176.117 0.331 0.000 1.049 194 I CA -0.642 60.809 61.300 0.252 0.000 1.063 194 I CB 2.081 40.190 38.000 0.182 0.000 1.248 194 I HN 0.986 nan 8.210 nan 0.000 0.424 195 Q N 4.734 124.708 119.800 0.290 0.000 2.345 195 Q HA 0.469 4.809 4.340 -0.000 0.000 0.275 195 Q C -1.856 174.267 176.000 0.206 0.000 1.063 195 Q CA -0.990 54.986 55.803 0.289 0.000 0.819 195 Q CB 2.042 31.006 28.738 0.376 0.000 1.356 195 Q HN 0.712 nan 8.270 nan 0.000 0.418 196 N N 0.387 119.191 118.700 0.174 0.000 2.538 196 N HA 0.521 5.260 4.740 -0.000 0.000 0.292 196 N C 0.594 176.181 175.510 0.127 0.000 1.262 196 N CA 0.018 53.140 53.050 0.121 0.000 0.976 196 N CB 0.187 38.722 38.487 0.079 0.000 1.161 196 N HN 1.043 nan 8.380 nan 0.000 0.598 197 G N -2.396 106.458 108.800 0.089 0.000 2.249 197 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.273 197 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.273 197 G C 0.950 175.925 174.900 0.124 0.000 1.036 197 G CA 0.696 45.852 45.100 0.093 0.000 0.824 197 G HN 1.013 nan 8.290 nan 0.000 0.504 198 G N -0.221 108.646 108.800 0.112 0.000 2.485 198 G HA2 -0.048 3.911 3.960 -0.000 0.000 0.221 198 G HA3 -0.048 3.911 3.960 -0.000 0.000 0.221 198 G C 1.717 176.668 174.900 0.085 0.000 1.115 198 G CA 1.998 47.164 45.100 0.109 0.000 0.751 198 G HN 1.432 nan 8.290 nan 0.000 0.567 199 T N -0.848 113.748 114.554 0.070 0.000 3.107 199 T HA 0.255 4.604 4.350 -0.000 0.000 0.249 199 T C 1.414 176.151 174.700 0.061 0.000 1.096 199 T CA 0.466 62.597 62.100 0.051 0.000 1.012 199 T CB -0.060 68.833 68.868 0.041 0.000 0.977 199 T HN 0.360 nan 8.240 nan 0.000 0.527 200 S N 0.809 116.564 115.700 0.092 0.000 2.584 200 S HA 0.617 5.087 4.470 -0.000 0.000 0.270 200 S C 1.801 176.469 174.600 0.113 0.000 1.346 200 S CA -0.333 57.937 58.200 0.115 0.000 1.018 200 S CB 1.019 64.316 63.200 0.162 0.000 0.899 200 S HN 0.377 nan 8.310 nan 0.000 0.542 201 A N 2.155 125.054 122.820 0.131 0.000 1.883 201 A HA -0.050 4.269 4.320 -0.000 0.000 0.217 201 A C 2.214 179.934 177.584 0.227 0.000 1.186 201 A CA 1.904 54.016 52.037 0.125 0.000 0.624 201 A CB -1.492 17.646 19.000 0.230 0.000 0.822 201 A HN 0.878 nan 8.150 nan 0.000 0.444 202 V N -0.021 120.084 119.914 0.319 0.000 2.287 202 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 202 V C 2.829 179.070 176.094 0.245 0.000 1.053 202 V CA 2.063 64.563 62.300 0.333 0.000 1.027 202 V CB -1.602 30.406 31.823 0.308 0.000 0.646 202 V HN 0.637 nan 8.190 nan 0.000 0.447 203 G N -0.323 108.611 108.800 0.224 0.000 2.440 203 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 203 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 203 G C 1.663 176.640 174.900 0.129 0.000 1.154 203 G CA 0.904 46.119 45.100 0.191 0.000 0.767 203 G HN 0.489 nan 8.290 nan 0.000 0.552 204 K N -0.692 119.735 120.400 0.045 0.000 2.097 204 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 204 K C 2.191 178.741 176.600 -0.083 0.000 1.050 204 K CA 0.990 57.243 56.287 -0.057 0.000 0.938 204 K CB -0.261 32.141 32.500 -0.164 0.000 0.718 204 K HN 0.481 nan 8.250 nan 0.000 0.442 205 Y N 0.669 121.017 120.300 0.080 0.000 2.200 205 Y HA -0.203 4.347 4.550 -0.001 0.000 0.290 205 Y C 2.512 178.442 175.900 0.050 0.000 1.137 205 Y CA 0.865 59.002 58.100 0.063 0.000 1.163 205 Y CB -0.185 38.320 38.460 0.075 0.000 0.988 205 Y HN 0.088 nan 8.280 nan 0.000 0.518 206 A N -0.583 122.355 122.820 0.196 0.000 1.908 206 A HA -0.215 4.105 4.320 -0.000 0.000 0.218 206 A C 2.386 180.110 177.584 0.232 0.000 1.181 206 A CA 2.083 54.191 52.037 0.119 0.000 0.627 206 A CB -1.050 17.998 19.000 0.080 0.000 0.818 206 A HN 0.379 nan 8.150 nan 0.000 0.445 207 S N -0.416 115.419 115.700 0.225 0.000 2.359 207 S HA -0.230 4.240 4.470 -0.000 0.000 0.224 207 S C 2.177 176.825 174.600 0.081 0.000 1.035 207 S CA 1.732 60.041 58.200 0.183 0.000 1.018 207 S CB -0.348 62.902 63.200 0.084 0.000 0.876 207 S HN 0.714 nan 8.310 nan 0.000 0.448 208 Q N 0.303 120.117 119.800 0.024 0.000 2.046 208 Q HA -0.016 4.324 4.340 -0.000 0.000 0.200 208 Q C 2.216 178.134 176.000 -0.136 0.000 0.975 208 Q CA 1.277 57.038 55.803 -0.069 0.000 0.836 208 Q CB -0.359 28.337 28.738 -0.070 0.000 0.896 208 Q HN 0.513 nan 8.270 nan 0.000 0.428 209 I N 0.616 121.151 120.570 -0.058 0.000 2.264 209 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 209 I C 2.315 178.344 176.117 -0.147 0.000 1.111 209 I CA 1.133 62.371 61.300 -0.103 0.000 1.382 209 I CB -0.658 37.398 38.000 0.094 0.000 1.060 209 I HN 0.303 nan 8.210 nan 0.000 0.418 210 G N 0.941 109.760 108.800 0.031 0.000 2.421 210 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.216 210 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.216 210 G C 1.690 176.538 174.900 -0.086 0.000 1.171 210 G CA 0.935 46.126 45.100 0.151 0.000 0.775 210 G HN 0.338 nan 8.290 nan 0.000 0.543 211 K N 0.113 120.449 120.400 -0.106 0.000 2.032 211 K HA 0.005 4.325 4.320 -0.000 0.000 0.209 211 K C 2.522 178.979 176.600 -0.239 0.000 1.048 211 K CA 1.068 57.257 56.287 -0.164 0.000 0.927 211 K CB -0.322 32.086 32.500 -0.154 0.000 0.712 211 K HN 0.344 nan 8.250 nan 0.000 0.441 212 L N 0.818 121.838 121.223 -0.340 0.000 2.131 212 L HA -0.149 4.190 4.340 -0.000 0.000 0.210 212 L C 2.107 178.791 176.870 -0.310 0.000 1.092 212 L CA 0.897 55.482 54.840 -0.426 0.000 0.759 212 L CB -0.205 41.331 42.059 -0.871 0.000 0.903 212 L HN 0.251 nan 8.230 nan 0.000 0.435 213 L N -0.748 120.233 121.223 -0.404 0.000 2.592 213 L HA 0.081 4.421 4.340 -0.000 0.000 0.227 213 L C 0.476 177.036 176.870 -0.516 0.000 1.127 213 L CA -0.108 54.403 54.840 -0.550 0.000 0.884 213 L CB -0.262 41.139 42.059 -1.096 0.000 1.065 213 L HN 0.371 nan 8.230 nan 0.000 0.457 214 N N 0.542 119.053 118.700 -0.315 0.000 2.780 214 N HA -0.230 4.509 4.740 -0.000 0.000 0.247 214 N C -0.657 174.904 175.510 0.085 0.000 1.076 214 N CA 0.483 53.462 53.050 -0.118 0.000 0.688 214 N CB -1.528 36.926 38.487 -0.056 0.000 0.957 214 N HN 0.248 nan 8.380 nan 0.000 0.551 215 F N 0.160 120.073 119.950 -0.062 0.000 2.422 215 F HA 0.433 4.959 4.527 -0.000 0.000 0.333 215 F C 1.187 176.825 175.800 -0.269 0.000 1.095 215 F CA -1.335 56.624 58.000 -0.067 0.000 1.038 215 F CB 0.959 40.059 39.000 0.166 0.000 1.156 215 F HN -0.059 nan 8.300 nan 0.000 0.483 216 N N 1.212 119.690 118.700 -0.370 0.000 2.493 216 N HA 0.395 5.135 4.740 -0.000 0.000 0.275 216 N C -0.785 174.261 175.510 -0.773 0.000 1.186 216 N CA -0.125 52.372 53.050 -0.922 0.000 0.978 216 N CB 1.822 39.005 38.487 -2.173 0.000 1.184 216 N HN 0.668 nan 8.380 nan 0.000 0.487 217 S N -0.608 114.684 115.700 -0.679 0.000 2.547 217 S HA 0.590 5.060 4.470 -0.000 0.000 0.270 217 S C -1.060 173.485 174.600 -0.092 0.000 1.150 217 S CA -0.917 56.947 58.200 -0.559 0.000 0.850 217 S CB 0.785 63.174 63.200 -1.352 0.000 1.118 217 S HN 0.375 nan 8.310 nan 0.000 0.461 218 I N 2.030 122.612 120.570 0.020 0.000 2.406 218 I HA 0.453 4.623 4.170 -0.000 0.000 0.290 218 I C -0.266 175.897 176.117 0.076 0.000 0.999 218 I CA -0.427 60.941 61.300 0.113 0.000 1.124 218 I CB 2.113 40.240 38.000 0.211 0.000 1.289 218 I HN 0.636 nan 8.210 nan 0.000 0.441 219 S N 4.968 120.711 115.700 0.073 0.000 2.451 219 S HA 0.566 5.036 4.470 -0.000 0.000 0.301 219 S C -0.311 174.352 174.600 0.105 0.000 1.116 219 S CA -0.598 57.661 58.200 0.098 0.000 1.093 219 S CB 1.822 65.069 63.200 0.078 0.000 1.017 219 S HN 0.279 nan 8.310 nan 0.000 0.482 220 V N 5.287 125.268 119.914 0.111 0.000 2.435 220 V HA 0.629 4.749 4.120 -0.000 0.000 0.290 220 V C 0.060 176.198 176.094 0.074 0.000 1.030 220 V CA -0.627 61.729 62.300 0.093 0.000 0.881 220 V CB 0.886 32.764 31.823 0.092 0.000 0.983 220 V HN 0.847 nan 8.190 nan 0.000 0.445 221 I N 1.426 122.028 120.570 0.054 0.000 3.174 221 I HA 0.713 4.882 4.170 -0.000 0.000 0.313 221 I C -0.354 175.779 176.117 0.027 0.000 1.155 221 I CA -1.347 59.978 61.300 0.043 0.000 0.977 221 I CB 2.242 40.265 38.000 0.038 0.000 1.248 221 I HN 0.374 nan 8.210 nan 0.000 0.453 222 R N 1.493 122.008 120.500 0.024 0.000 2.490 222 R HA 0.230 4.569 4.340 -0.000 0.000 0.278 222 R C -0.645 175.660 176.300 0.008 0.000 1.069 222 R CA -0.614 55.495 56.100 0.015 0.000 1.080 222 R CB 0.495 30.806 30.300 0.019 0.000 1.030 222 R HN 0.593 nan 8.270 nan 0.000 0.491 223 D N 1.556 121.956 120.400 -0.001 0.000 2.368 223 D HA 0.073 4.713 4.640 -0.000 0.000 0.240 223 D C -0.227 176.072 176.300 -0.001 0.000 1.169 223 D CA 0.254 54.250 54.000 -0.006 0.000 0.906 223 D CB 0.730 41.521 40.800 -0.015 0.000 1.187 223 D HN 0.451 nan 8.370 nan 0.000 0.435 224 R N 1.052 121.550 120.500 -0.002 0.000 2.692 224 R HA 0.299 4.639 4.340 -0.000 0.000 0.269 224 R C -2.528 173.771 176.300 -0.002 0.000 1.030 224 R CA -1.311 54.789 56.100 0.000 0.000 0.882 224 R CB 0.071 30.374 30.300 0.004 0.000 1.250 224 R HN 0.096 nan 8.270 nan 0.000 0.465 225 P HA -0.133 nan 4.420 nan 0.000 0.216 225 P C 0.245 177.544 177.300 -0.002 0.000 1.150 225 P CA 1.314 64.412 63.100 -0.002 0.000 0.837 225 P CB 0.056 31.755 31.700 -0.001 0.000 0.786 226 N N -0.034 118.666 118.700 -0.001 0.000 2.455 226 N HA 0.009 4.749 4.740 -0.000 0.000 0.258 226 N C 1.147 176.657 175.510 0.000 0.000 1.158 226 N CA -0.178 52.872 53.050 -0.000 0.000 0.893 226 N CB -0.688 37.799 38.487 0.000 0.000 1.173 226 N HN 0.041 nan 8.380 nan 0.000 0.503 227 L N 1.000 122.223 121.223 -0.001 0.000 2.021 227 L HA -0.220 4.120 4.340 -0.000 0.000 0.215 227 L C 1.201 178.072 176.870 0.001 0.000 1.074 227 L CA 2.060 56.900 54.840 -0.000 0.000 0.760 227 L CB -0.601 41.455 42.059 -0.005 0.000 0.889 227 L HN 0.048 nan 8.230 nan 0.000 0.433 228 D N -0.533 119.868 120.400 0.001 0.000 2.123 228 D HA -0.253 4.387 4.640 -0.000 0.000 0.196 228 D C 2.077 178.378 176.300 0.001 0.000 0.992 228 D CA 1.627 55.629 54.000 0.003 0.000 0.833 228 D CB -0.131 40.671 40.800 0.003 0.000 0.954 228 D HN 0.655 nan 8.370 nan 0.000 0.455 229 E N 0.512 120.712 120.200 -0.000 0.000 2.072 229 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 229 E C 2.046 178.644 176.600 -0.002 0.000 0.985 229 E CA 0.783 57.182 56.400 -0.002 0.000 0.801 229 E CB 0.154 29.853 29.700 -0.001 0.000 0.750 229 E HN 0.022 nan 8.360 nan 0.000 0.452 230 V N 0.694 120.608 119.914 0.000 0.000 2.427 230 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 230 V C 2.462 178.556 176.094 0.000 0.000 1.051 230 V CA 1.222 63.523 62.300 0.001 0.000 1.048 230 V CB -0.107 31.719 31.823 0.005 0.000 0.666 230 V HN 0.204 nan 8.190 nan 0.000 0.456 231 V N 0.440 120.355 119.914 0.001 0.000 2.287 231 V HA -0.303 3.816 4.120 -0.000 0.000 0.248 231 V C 2.715 178.804 176.094 -0.008 0.000 1.053 231 V CA 2.280 64.580 62.300 0.000 0.000 1.027 231 V CB -1.080 30.746 31.823 0.004 0.000 0.646 231 V HN 0.573 nan 8.190 nan 0.000 0.447 232 A N -1.129 121.686 122.820 -0.008 0.000 1.933 232 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 232 A C 2.540 180.114 177.584 -0.017 0.000 1.175 232 A CA 2.160 54.189 52.037 -0.014 0.000 0.628 232 A CB -0.730 18.264 19.000 -0.010 0.000 0.814 232 A HN 0.479 nan 8.150 nan 0.000 0.444 233 S N -0.395 115.297 115.700 -0.013 0.000 2.356 233 S HA -0.087 4.383 4.470 -0.000 0.000 0.223 233 S C 1.917 176.505 174.600 -0.020 0.000 1.032 233 S CA 1.432 59.623 58.200 -0.016 0.000 1.005 233 S CB -0.461 62.732 63.200 -0.011 0.000 0.867 233 S HN 0.502 nan 8.310 nan 0.000 0.449 234 L N 0.649 121.863 121.223 -0.015 0.000 2.131 234 L HA -0.074 4.265 4.340 -0.000 0.000 0.210 234 L C 2.547 179.401 176.870 -0.028 0.000 1.092 234 L CA 1.248 56.079 54.840 -0.015 0.000 0.759 234 L CB -0.447 41.612 42.059 -0.001 0.000 0.903 234 L HN 0.288 nan 8.230 nan 0.000 0.435 235 K N -0.155 120.224 120.400 -0.035 0.000 2.103 235 K HA -0.199 4.121 4.320 -0.000 0.000 0.204 235 K C 2.022 178.590 176.600 -0.054 0.000 1.052 235 K CA 1.050 57.305 56.287 -0.052 0.000 0.945 235 K CB -0.004 32.463 32.500 -0.054 0.000 0.722 235 K HN 0.068 nan 8.250 nan 0.000 0.443 236 E N 1.584 121.759 120.200 -0.043 0.000 2.077 236 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 236 E C 1.710 178.279 176.600 -0.051 0.000 0.989 236 E CA 1.259 57.632 56.400 -0.043 0.000 0.800 236 E CB -0.239 29.441 29.700 -0.033 0.000 0.746 236 E HN 0.208 nan 8.360 nan 0.000 0.452 237 L N -1.593 119.602 121.223 -0.046 0.000 2.093 237 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 237 L C 1.794 178.629 176.870 -0.060 0.000 1.085 237 L CA 1.244 56.053 54.840 -0.051 0.000 0.755 237 L CB -0.140 41.893 42.059 -0.044 0.000 0.904 237 L HN 0.507 nan 8.230 nan 0.000 0.435 238 G N -1.934 106.831 108.800 -0.059 0.000 3.272 238 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.219 238 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.219 238 G C 0.235 175.086 174.900 -0.081 0.000 0.952 238 G CA -0.168 44.888 45.100 -0.073 0.000 0.833 238 G HN 0.345 nan 8.290 nan 0.000 0.608 239 A N 0.867 123.648 122.820 -0.066 0.000 2.477 239 A HA 0.590 4.910 4.320 -0.000 0.000 0.246 239 A C 1.524 179.024 177.584 -0.140 0.000 1.078 239 A CA 1.419 53.400 52.037 -0.094 0.000 0.770 239 A CB 0.341 19.313 19.000 -0.047 0.000 1.011 239 A HN 0.490 nan 8.150 nan 0.000 0.494 240 T N 1.591 116.024 114.554 -0.201 0.000 2.851 240 T HA 0.030 4.380 4.350 -0.000 0.000 0.262 240 T C 0.606 175.174 174.700 -0.219 0.000 1.043 240 T CA 1.137 63.096 62.100 -0.236 0.000 1.140 240 T CB -0.024 68.612 68.868 -0.387 0.000 0.872 240 T HN 0.711 nan 8.240 nan 0.000 0.446 241 Q N 0.235 119.924 119.800 -0.185 0.000 2.389 241 Q HA 0.617 4.957 4.340 -0.000 0.000 0.277 241 Q C -1.548 174.404 176.000 -0.081 0.000 1.082 241 Q CA -0.504 55.135 55.803 -0.273 0.000 0.810 241 Q CB 3.164 31.481 28.738 -0.702 0.000 1.374 241 Q HN 0.055 nan 8.270 nan 0.000 0.422 242 V N 3.325 123.225 119.914 -0.023 0.000 2.531 242 V HA 0.609 4.728 4.120 -0.000 0.000 0.301 242 V C -0.138 176.018 176.094 0.103 0.000 1.034 242 V CA -0.656 61.670 62.300 0.044 0.000 0.865 242 V CB 1.807 33.642 31.823 0.020 0.000 0.995 242 V HN 0.718 nan 8.190 nan 0.000 0.424 243 I N 1.553 122.197 120.570 0.123 0.000 3.002 243 I HA 0.883 5.053 4.170 -0.000 0.000 0.310 243 I C 0.237 176.374 176.117 0.034 0.000 1.087 243 I CA -0.606 60.753 61.300 0.098 0.000 1.017 243 I CB 2.619 40.732 38.000 0.187 0.000 1.226 243 I HN 0.620 nan 8.210 nan 0.000 0.443 244 T N -1.131 113.405 114.554 -0.030 0.000 2.881 244 T HA 0.324 4.673 4.350 -0.000 0.000 0.278 244 T C 0.768 175.456 174.700 -0.020 0.000 0.982 244 T CA -0.461 61.623 62.100 -0.027 0.000 0.989 244 T CB 1.535 70.370 68.868 -0.055 0.000 1.058 244 T HN 0.678 nan 8.240 nan 0.000 0.529 245 E N 0.647 120.843 120.200 -0.006 0.000 2.153 245 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 245 E C 1.708 178.298 176.600 -0.017 0.000 0.988 245 E CA 1.140 57.541 56.400 0.001 0.000 0.811 245 E CB -0.254 29.450 29.700 0.007 0.000 0.746 245 E HN 0.656 nan 8.360 nan 0.000 0.466 246 D N 0.783 121.161 120.400 -0.037 0.000 2.117 246 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 246 D C 1.957 178.212 176.300 -0.075 0.000 0.987 246 D CA 0.955 54.925 54.000 -0.050 0.000 0.829 246 D CB -0.101 40.663 40.800 -0.060 0.000 0.961 246 D HN 0.312 nan 8.370 nan 0.000 0.460 247 Q N 0.158 119.875 119.800 -0.137 0.000 2.167 247 Q HA -0.119 4.221 4.340 -0.000 0.000 0.202 247 Q C 1.914 177.910 176.000 -0.006 0.000 0.970 247 Q CA 0.666 56.333 55.803 -0.227 0.000 0.855 247 Q CB -0.033 28.379 28.738 -0.543 0.000 0.911 247 Q HN 0.117 nan 8.270 nan 0.000 0.438 248 N N 1.109 119.818 118.700 0.014 0.000 2.166 248 N HA -0.156 4.584 4.740 -0.000 0.000 0.186 248 N C 0.841 176.372 175.510 0.034 0.000 1.019 248 N CA 1.510 54.591 53.050 0.052 0.000 0.856 248 N CB -0.099 38.413 38.487 0.041 0.000 0.993 248 N HN 0.282 nan 8.380 nan 0.000 0.426 249 N N -1.108 117.600 118.700 0.014 0.000 2.446 249 N HA -0.025 4.715 4.740 -0.000 0.000 0.179 249 N C -0.149 175.368 175.510 0.012 0.000 1.054 249 N CA -0.103 52.951 53.050 0.006 0.000 0.905 249 N CB 0.074 38.560 38.487 -0.003 0.000 0.973 249 N HN 0.007 nan 8.380 nan 0.000 0.448 250 S N 0.893 116.610 115.700 0.029 0.000 2.498 250 S HA 0.125 4.594 4.470 -0.000 0.000 0.281 250 S C 1.195 175.823 174.600 0.048 0.000 1.265 250 S CA -0.409 57.818 58.200 0.045 0.000 1.071 250 S CB 0.629 63.873 63.200 0.073 0.000 0.894 250 S HN 0.174 nan 8.310 nan 0.000 0.491 251 R N 3.138 123.648 120.500 0.017 0.000 2.075 251 R HA -0.091 4.249 4.340 -0.000 0.000 0.232 251 R C 2.234 178.530 176.300 -0.008 0.000 1.126 251 R CA 1.722 57.820 56.100 -0.005 0.000 0.963 251 R CB -0.238 30.055 30.300 -0.013 0.000 0.858 251 R HN 0.836 nan 8.270 nan 0.000 0.435 252 E N -0.013 120.195 120.200 0.014 0.000 2.110 252 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 252 E C 1.508 178.119 176.600 0.018 0.000 0.988 252 E CA 0.997 57.403 56.400 0.010 0.000 0.804 252 E CB -0.017 29.699 29.700 0.027 0.000 0.745 252 E HN 0.229 nan 8.360 nan 0.000 0.458 253 F N 0.693 120.587 119.950 -0.094 0.000 2.456 253 F HA 0.170 4.697 4.527 -0.000 0.000 0.298 253 F C 1.917 177.607 175.800 -0.183 0.000 1.104 253 F CA 1.148 59.070 58.000 -0.131 0.000 1.435 253 F CB -0.424 38.513 39.000 -0.106 0.000 1.078 253 F HN 0.060 nan 8.300 nan 0.000 0.546 254 G N 1.395 110.120 108.800 -0.125 0.000 2.606 254 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.221 254 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.221 254 G C -0.574 174.114 174.900 -0.354 0.000 1.152 254 G CA 1.194 46.171 45.100 -0.205 0.000 0.765 254 G HN 0.296 nan 8.290 nan 0.000 0.595 255 P HA -0.020 nan 4.420 nan 0.000 0.218 255 P C 2.010 179.005 177.300 -0.508 0.000 1.148 255 P CA 1.619 64.514 63.100 -0.341 0.000 0.822 255 P CB -0.193 31.358 31.700 -0.249 0.000 0.784 256 T N -0.641 113.462 114.554 -0.750 0.000 2.746 256 T HA -0.100 4.250 4.350 -0.000 0.000 0.267 256 T C 1.731 175.609 174.700 -1.369 0.000 1.039 256 T CA 1.048 62.533 62.100 -1.024 0.000 1.142 256 T CB -0.805 67.252 68.868 -1.351 0.000 0.866 256 T HN 0.080 nan 8.240 nan 0.000 0.444 257 I N 0.602 120.411 120.570 -1.267 0.000 2.252 257 I HA -0.142 4.027 4.170 -0.000 0.000 0.245 257 I C 2.591 178.369 176.117 -0.566 0.000 1.102 257 I CA 1.218 61.927 61.300 -0.985 0.000 1.385 257 I CB -0.254 37.467 38.000 -0.467 0.000 1.064 257 I HN 0.155 nan 8.210 nan 0.000 0.414 258 K N 1.074 121.203 120.400 -0.452 0.000 2.147 258 K HA -0.210 4.110 4.320 -0.000 0.000 0.205 258 K C 1.897 178.331 176.600 -0.277 0.000 1.049 258 K CA 1.467 57.569 56.287 -0.308 0.000 0.936 258 K CB 0.053 32.408 32.500 -0.241 0.000 0.722 258 K HN 0.348 nan 8.250 nan 0.000 0.446 259 E N -0.597 119.403 120.200 -0.334 0.000 2.106 259 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 259 E C 1.760 178.324 176.600 -0.060 0.000 0.984 259 E CA 0.970 57.247 56.400 -0.205 0.000 0.806 259 E CB -0.099 29.460 29.700 -0.236 0.000 0.750 259 E HN 0.415 nan 8.360 nan 0.000 0.458 260 W N 0.903 122.073 121.300 -0.217 0.000 2.335 260 W HA -0.141 4.519 4.660 -0.000 0.000 0.311 260 W C 2.065 178.408 176.519 -0.294 0.000 1.213 260 W CA 0.666 57.889 57.345 -0.204 0.000 1.274 260 W CB -0.984 28.282 29.460 -0.324 0.000 1.148 260 W HN 0.107 nan 8.180 nan 0.000 0.498 261 I N 0.013 120.383 120.570 -0.333 0.000 2.163 261 I HA -0.291 3.878 4.170 -0.000 0.000 0.240 261 I C 2.503 178.574 176.117 -0.078 0.000 1.081 261 I CA 1.558 62.563 61.300 -0.492 0.000 1.353 261 I CB -0.705 36.958 38.000 -0.562 0.000 1.054 261 I HN -0.204 nan 8.210 nan 0.000 0.407 262 K N 0.909 121.264 120.400 -0.074 0.000 2.032 262 K HA -0.213 4.106 4.320 -0.000 0.000 0.209 262 K C 2.131 178.760 176.600 0.048 0.000 1.048 262 K CA 1.645 57.925 56.287 -0.013 0.000 0.927 262 K CB -0.235 32.239 32.500 -0.044 0.000 0.712 262 K HN 0.188 nan 8.250 nan 0.000 0.441 263 Q N -0.027 119.816 119.800 0.070 0.000 2.291 263 Q HA -0.052 4.288 4.340 -0.000 0.000 0.205 263 Q C 1.967 178.055 176.000 0.148 0.000 0.970 263 Q CA 1.464 57.328 55.803 0.102 0.000 0.876 263 Q CB -0.111 28.695 28.738 0.113 0.000 0.935 263 Q HN 0.561 nan 8.270 nan 0.000 0.455 264 S N -1.361 114.476 115.700 0.228 0.000 2.489 264 S HA 0.109 4.579 4.470 -0.000 0.000 0.228 264 S C 1.570 176.285 174.600 0.192 0.000 0.995 264 S CA 0.870 59.234 58.200 0.273 0.000 0.934 264 S CB 0.186 63.716 63.200 0.551 0.000 0.771 264 S HN 0.453 nan 8.310 nan 0.000 0.522 265 G N 0.146 109.041 108.800 0.159 0.000 2.195 265 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.246 265 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.246 265 G C 0.421 175.397 174.900 0.128 0.000 0.984 265 G CA 0.043 45.211 45.100 0.114 0.000 0.633 265 G HN 1.111 nan 8.290 nan 0.000 0.525 266 G N -0.852 108.070 108.800 0.203 0.000 2.795 266 G HA2 0.710 4.670 3.960 -0.000 0.000 0.267 266 G HA3 0.710 4.670 3.960 -0.000 0.000 0.267 266 G C -0.612 174.411 174.900 0.205 0.000 1.362 266 G CA -0.209 45.016 45.100 0.209 0.000 1.048 266 G HN 0.414 nan 8.290 nan 0.000 0.547 267 E N -1.336 118.988 120.200 0.207 0.000 2.367 267 E HA 0.522 4.872 4.350 -0.000 0.000 0.273 267 E C -0.852 175.851 176.600 0.172 0.000 0.903 267 E CA -1.038 55.439 56.400 0.127 0.000 0.764 267 E CB 2.419 32.166 29.700 0.079 0.000 1.252 267 E HN 0.563 nan 8.360 nan 0.000 0.446 268 A N 2.080 124.944 122.820 0.073 0.000 2.437 268 A HA 0.166 4.486 4.320 -0.000 0.000 0.303 268 A C 0.362 178.018 177.584 0.119 0.000 1.324 268 A CA -0.010 52.096 52.037 0.116 0.000 0.983 268 A CB -0.082 18.924 19.000 0.011 0.000 1.142 268 A HN 0.558 nan 8.150 nan 0.000 0.541 269 K N 1.131 121.614 120.400 0.138 0.000 2.354 269 K HA 0.240 4.560 4.320 -0.000 0.000 0.194 269 K C -0.390 176.275 176.600 0.109 0.000 1.045 269 K CA 0.237 56.585 56.287 0.101 0.000 1.026 269 K CB 0.344 32.880 32.500 0.060 0.000 0.866 269 K HN 0.557 nan 8.250 nan 0.000 0.530 270 L N 0.015 121.330 121.223 0.154 0.000 2.455 270 L HA 0.563 4.903 4.340 -0.000 0.000 0.264 270 L C -1.966 175.037 176.870 0.221 0.000 0.968 270 L CA -0.694 54.238 54.840 0.154 0.000 0.827 270 L CB 2.017 44.142 42.059 0.111 0.000 1.317 270 L HN -0.058 nan 8.230 nan 0.000 0.407 271 A N 5.511 128.447 122.820 0.193 0.000 2.343 271 A HA 0.810 5.129 4.320 -0.000 0.000 0.316 271 A C -1.486 176.212 177.584 0.191 0.000 1.104 271 A CA -0.512 51.657 52.037 0.221 0.000 0.768 271 A CB 1.010 20.146 19.000 0.227 0.000 1.213 271 A HN 0.683 nan 8.150 nan 0.000 0.456 272 L N 2.687 124.047 121.223 0.229 0.000 2.294 272 L HA 0.401 4.740 4.340 -0.000 0.000 0.283 272 L C -0.245 176.802 176.870 0.294 0.000 1.015 272 L CA -0.658 54.333 54.840 0.251 0.000 0.831 272 L CB 1.334 43.527 42.059 0.224 0.000 1.217 272 L HN 0.799 nan 8.230 nan 0.000 0.420 273 N N 2.640 121.489 118.700 0.248 0.000 2.417 273 N HA 0.330 5.069 4.740 -0.000 0.000 0.274 273 N C 0.088 175.496 175.510 -0.171 0.000 0.987 273 N CA -0.724 52.379 53.050 0.088 0.000 0.912 273 N CB 1.430 39.963 38.487 0.077 0.000 1.177 273 N HN 0.669 nan 8.380 nan 0.000 0.490 274 C N 1.957 121.072 119.300 -0.308 0.000 3.240 274 C HA 0.511 4.971 4.460 -0.000 0.000 0.271 274 C C 0.736 175.561 174.990 -0.275 0.000 1.534 274 C CA -0.377 58.285 59.018 -0.593 0.000 1.796 274 C CB -1.247 25.878 27.740 -1.024 0.000 2.892 274 C HN 0.471 nan 8.230 nan 0.000 0.566 275 V N 1.241 121.067 119.914 -0.146 0.000 2.911 275 V HA 0.613 4.733 4.120 -0.000 0.000 0.237 275 V C 1.779 177.831 176.094 -0.071 0.000 1.156 275 V CA 1.598 63.846 62.300 -0.086 0.000 1.180 275 V CB -0.484 31.322 31.823 -0.028 0.000 0.932 275 V HN 1.125 nan 8.190 nan 0.000 0.483 276 G N -0.362 108.409 108.800 -0.048 0.000 2.725 276 G HA2 0.330 4.290 3.960 -0.000 0.000 0.220 276 G HA3 0.330 4.290 3.960 -0.000 0.000 0.220 276 G C 0.555 175.453 174.900 -0.003 0.000 1.357 276 G CA -0.445 44.639 45.100 -0.026 0.000 0.866 276 G HN 1.734 nan 8.290 nan 0.000 0.548 277 G N -0.665 108.139 108.800 0.007 0.000 2.574 277 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.282 277 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.282 277 G C 1.152 176.057 174.900 0.009 0.000 1.257 277 G CA 1.282 46.391 45.100 0.014 0.000 0.956 277 G HN 1.617 nan 8.290 nan 0.000 0.560 278 K N -0.283 120.122 120.400 0.008 0.000 2.103 278 K HA -0.071 4.249 4.320 -0.000 0.000 0.207 278 K C 2.980 179.579 176.600 -0.000 0.000 1.048 278 K CA 2.081 58.369 56.287 0.001 0.000 0.930 278 K CB -0.446 32.057 32.500 0.004 0.000 0.716 278 K HN 0.461 nan 8.250 nan 0.000 0.444 279 S N 0.333 116.037 115.700 0.007 0.000 2.370 279 S HA -0.175 4.295 4.470 -0.000 0.000 0.226 279 S C 1.971 176.580 174.600 0.014 0.000 1.033 279 S CA 2.120 60.328 58.200 0.014 0.000 1.011 279 S CB -0.378 62.833 63.200 0.018 0.000 0.852 279 S HN 0.554 nan 8.310 nan 0.000 0.457 280 S N 0.173 115.880 115.700 0.012 0.000 2.382 280 S HA -0.097 4.373 4.470 -0.000 0.000 0.228 280 S C 1.928 176.521 174.600 -0.012 0.000 1.027 280 S CA 1.705 59.917 58.200 0.020 0.000 0.991 280 S CB -1.422 61.796 63.200 0.029 0.000 0.823 280 S HN 0.598 nan 8.310 nan 0.000 0.469 281 T N 1.884 116.419 114.554 -0.032 0.000 2.708 281 T HA 0.043 4.393 4.350 -0.000 0.000 0.266 281 T C 2.049 176.693 174.700 -0.093 0.000 1.037 281 T CA 1.428 63.479 62.100 -0.081 0.000 1.146 281 T CB -1.216 67.616 68.868 -0.060 0.000 0.865 281 T HN 0.633 nan 8.240 nan 0.000 0.435 282 G N 2.157 110.929 108.800 -0.046 0.000 2.418 282 G HA2 -0.164 3.795 3.960 -0.000 0.000 0.217 282 G HA3 -0.164 3.795 3.960 -0.000 0.000 0.217 282 G C 1.613 176.497 174.900 -0.027 0.000 1.158 282 G CA 1.028 46.109 45.100 -0.033 0.000 0.771 282 G HN 0.686 nan 8.290 nan 0.000 0.545 283 I N -1.294 119.275 120.570 -0.002 0.000 2.439 283 I HA 0.207 4.377 4.170 -0.000 0.000 0.251 283 I C 2.792 178.905 176.117 -0.007 0.000 1.139 283 I CA 1.191 62.508 61.300 0.029 0.000 1.438 283 I CB -0.384 37.668 38.000 0.086 0.000 1.085 283 I HN 0.120 nan 8.210 nan 0.000 0.427 284 A N 2.035 124.802 122.820 -0.087 0.000 1.908 284 A HA -0.158 4.161 4.320 -0.000 0.000 0.218 284 A C 2.449 179.838 177.584 -0.324 0.000 1.181 284 A CA 1.589 53.458 52.037 -0.281 0.000 0.627 284 A CB -0.729 17.850 19.000 -0.701 0.000 0.818 284 A HN 0.486 nan 8.150 nan 0.000 0.445 285 R N -0.563 119.787 120.500 -0.250 0.000 2.285 285 R HA -0.040 4.300 4.340 -0.000 0.000 0.213 285 R C 1.200 177.431 176.300 -0.114 0.000 1.068 285 R CA 0.943 56.928 56.100 -0.191 0.000 1.004 285 R CB -0.026 30.189 30.300 -0.142 0.000 0.873 285 R HN 0.334 nan 8.270 nan 0.000 0.467 286 K N 0.414 120.769 120.400 -0.075 0.000 2.400 286 K HA 0.110 4.430 4.320 -0.000 0.000 0.194 286 K C 0.848 177.424 176.600 -0.039 0.000 1.033 286 K CA 0.320 56.575 56.287 -0.054 0.000 1.021 286 K CB 0.184 32.672 32.500 -0.020 0.000 0.808 286 K HN 0.164 nan 8.250 nan 0.000 0.505 287 L N 1.802 123.023 121.223 -0.003 0.000 2.464 287 L HA 0.054 4.394 4.340 -0.000 0.000 0.264 287 L C 0.511 177.396 176.870 0.026 0.000 1.199 287 L CA -0.450 54.418 54.840 0.046 0.000 0.818 287 L CB 0.078 42.221 42.059 0.140 0.000 1.102 287 L HN -0.015 nan 8.230 nan 0.000 0.473 288 N N 0.399 119.121 118.700 0.036 0.000 2.347 288 N HA 0.103 4.843 4.740 -0.000 0.000 0.253 288 N C -0.273 175.274 175.510 0.061 0.000 1.274 288 N CA -0.419 52.648 53.050 0.029 0.000 0.941 288 N CB 0.236 38.740 38.487 0.028 0.000 1.200 288 N HN 0.474 nan 8.380 nan 0.000 0.514 289 N N 1.755 120.489 118.700 0.055 0.000 2.374 289 N HA -0.008 4.732 4.740 -0.000 0.000 0.241 289 N C -0.232 175.327 175.510 0.082 0.000 1.262 289 N CA 0.462 53.557 53.050 0.076 0.000 0.880 289 N CB -0.135 38.391 38.487 0.065 0.000 1.105 289 N HN 0.458 nan 8.380 nan 0.000 0.438 290 N N -2.104 116.653 118.700 0.094 0.000 2.776 290 N HA -0.130 4.610 4.740 -0.000 0.000 0.250 290 N C 0.225 175.777 175.510 0.070 0.000 1.112 290 N CA 1.128 54.221 53.050 0.072 0.000 0.733 290 N CB -1.696 36.822 38.487 0.052 0.000 1.097 290 N HN 0.683 nan 8.380 nan 0.000 0.558 291 G N -0.014 108.859 108.800 0.121 0.000 2.539 291 G HA2 0.517 4.476 3.960 -0.000 0.000 0.258 291 G HA3 0.517 4.476 3.960 -0.000 0.000 0.258 291 G C -0.150 174.758 174.900 0.013 0.000 1.202 291 G CA -0.385 44.793 45.100 0.130 0.000 0.851 291 G HN 0.216 nan 8.290 nan 0.000 0.556 292 L N 1.117 122.341 121.223 0.002 0.000 2.385 292 L HA 0.726 5.066 4.340 -0.000 0.000 0.273 292 L C -0.345 176.503 176.870 -0.037 0.000 0.990 292 L CA -0.832 53.940 54.840 -0.114 0.000 0.821 292 L CB 2.013 44.042 42.059 -0.049 0.000 1.279 292 L HN 0.592 nan 8.230 nan 0.000 0.412 293 M N 5.810 125.337 119.600 -0.123 0.000 2.294 293 M HA 0.540 5.019 4.480 -0.000 0.000 0.335 293 M C -1.895 174.408 176.300 0.005 0.000 1.079 293 M CA -0.547 54.787 55.300 0.057 0.000 0.982 293 M CB 1.309 34.068 32.600 0.264 0.000 1.651 293 M HN 0.610 nan 8.290 nan 0.000 0.437 294 L N 4.568 125.810 121.223 0.033 0.000 2.280 294 L HA 0.429 4.769 4.340 -0.000 0.000 0.287 294 L C -0.345 176.614 176.870 0.147 0.000 1.023 294 L CA -0.528 54.323 54.840 0.018 0.000 0.819 294 L CB 1.770 43.767 42.059 -0.103 0.000 1.212 294 L HN 0.697 nan 8.230 nan 0.000 0.420 295 T N 2.488 117.125 114.554 0.138 0.000 2.743 295 T HA 0.245 4.595 4.350 -0.000 0.000 0.293 295 T C 0.189 175.021 174.700 0.220 0.000 0.945 295 T CA 0.053 62.233 62.100 0.133 0.000 1.030 295 T CB 0.383 69.289 68.868 0.063 0.000 0.912 295 T HN 0.557 nan 8.240 nan 0.000 0.483 296 Y N 1.151 121.512 120.300 0.103 0.000 2.626 296 Y HA 0.685 5.234 4.550 -0.001 0.000 0.248 296 Y C 0.301 176.268 175.900 0.111 0.000 1.147 296 Y CA -0.761 57.442 58.100 0.172 0.000 1.219 296 Y CB 0.427 39.055 38.460 0.280 0.000 1.279 296 Y HN 0.715 nan 8.280 nan 0.000 0.541 297 G N -0.582 108.014 108.800 -0.340 0.000 2.547 297 G HA2 0.448 4.408 3.960 -0.000 0.000 0.291 297 G HA3 0.448 4.408 3.960 -0.000 0.000 0.291 297 G C -0.973 173.757 174.900 -0.283 0.000 1.471 297 G CA -0.506 44.397 45.100 -0.327 0.000 0.798 297 G HN 0.557 nan 8.290 nan 0.000 0.504 298 G N 0.304 108.940 108.800 -0.272 0.000 4.566 298 G HA2 0.422 4.382 3.960 -0.000 0.000 0.276 298 G HA3 0.422 4.382 3.960 -0.000 0.000 0.276 298 G C 0.978 175.656 174.900 -0.371 0.000 1.248 298 G CA -0.177 44.758 45.100 -0.275 0.000 0.858 298 G HN 0.380 nan 8.290 nan 0.000 0.549 299 M N 1.206 120.652 119.600 -0.255 0.000 2.337 299 M HA -0.102 4.378 4.480 -0.000 0.000 0.261 299 M C 2.514 178.775 176.300 -0.066 0.000 1.067 299 M CA 1.574 56.765 55.300 -0.182 0.000 1.074 299 M CB -0.869 31.694 32.600 -0.061 0.000 1.395 299 M HN 0.550 nan 8.290 nan 0.000 0.431 300 S N -1.436 114.240 115.700 -0.039 0.000 2.528 300 S HA 0.023 4.493 4.470 -0.000 0.000 0.219 300 S C 0.912 175.659 174.600 0.245 0.000 0.985 300 S CA -0.210 58.053 58.200 0.105 0.000 0.914 300 S CB -0.496 62.737 63.200 0.055 0.000 0.776 300 S HN 0.453 nan 8.310 nan 0.000 0.526 301 F N 0.096 120.041 119.950 -0.008 0.000 2.914 301 F HA -0.158 4.369 4.527 -0.001 0.000 0.304 301 F C 0.410 176.206 175.800 -0.006 0.000 0.712 301 F CA 0.631 58.627 58.000 -0.007 0.000 1.211 301 F CB -1.690 37.308 39.000 -0.004 0.000 1.515 301 F HN 0.276 nan 8.300 nan 0.000 0.350 302 Q N 1.341 121.196 119.800 0.091 0.000 2.230 302 Q HA 0.435 4.775 4.340 -0.000 0.000 0.253 302 Q C -1.851 174.161 176.000 0.021 0.000 0.919 302 Q CA -1.707 54.132 55.803 0.061 0.000 0.908 302 Q CB 1.110 29.877 28.738 0.049 0.000 1.245 302 Q HN -0.040 nan 8.270 nan 0.000 0.437 303 P HA 0.087 nan 4.420 nan 0.000 0.274 303 P C -0.413 176.899 177.300 0.019 0.000 1.260 303 P CA -0.361 62.749 63.100 0.016 0.000 0.793 303 P CB 0.571 32.286 31.700 0.024 0.000 1.048 304 V N 1.050 120.981 119.914 0.029 0.000 2.432 304 V HA 0.184 4.304 4.120 -0.000 0.000 0.271 304 V C 0.538 176.670 176.094 0.064 0.000 1.046 304 V CA 0.374 62.703 62.300 0.048 0.000 0.945 304 V CB 0.292 32.158 31.823 0.072 0.000 0.992 304 V HN 0.540 nan 8.190 nan 0.000 0.471 305 T N 6.881 121.464 114.554 0.048 0.000 2.791 305 T HA 0.584 4.934 4.350 -0.000 0.000 0.288 305 T C -0.448 174.266 174.700 0.024 0.000 0.999 305 T CA -0.290 61.837 62.100 0.046 0.000 0.952 305 T CB 0.714 69.597 68.868 0.025 0.000 0.938 305 T HN 0.282 nan 8.240 nan 0.000 0.444 306 I N 4.683 125.287 120.570 0.057 0.000 2.436 306 I HA 0.383 4.553 4.170 -0.000 0.000 0.289 306 I C -2.335 173.773 176.117 -0.016 0.000 1.010 306 I CA -3.243 58.028 61.300 -0.048 0.000 1.098 306 I CB 1.273 39.226 38.000 -0.078 0.000 1.266 306 I HN 0.331 nan 8.210 nan 0.000 0.434 307 P HA 0.161 nan 4.420 nan 0.000 0.265 307 P C 1.029 178.326 177.300 -0.004 0.000 1.193 307 P CA 0.086 63.161 63.100 -0.041 0.000 0.765 307 P CB 0.606 32.260 31.700 -0.076 0.000 0.823 308 T N 0.875 115.471 114.554 0.069 0.000 2.737 308 T HA -0.206 4.143 4.350 -0.000 0.000 0.269 308 T C 1.838 176.543 174.700 0.008 0.000 1.040 308 T CA 2.141 64.308 62.100 0.112 0.000 1.142 308 T CB -0.636 68.261 68.868 0.048 0.000 0.861 308 T HN 0.644 nan 8.240 nan 0.000 0.456 309 S N 1.795 117.473 115.700 -0.036 0.000 2.400 309 S HA -0.050 4.420 4.470 -0.000 0.000 0.232 309 S C 2.068 176.623 174.600 -0.076 0.000 1.025 309 S CA 0.853 59.012 58.200 -0.068 0.000 0.993 309 S CB -0.814 62.489 63.200 0.173 0.000 0.808 309 S HN 0.464 nan 8.310 nan 0.000 0.478 310 L N -0.618 120.532 121.223 -0.120 0.000 2.046 310 L HA -0.088 4.251 4.340 -0.000 0.000 0.208 310 L C 2.625 179.450 176.870 -0.075 0.000 1.077 310 L CA 1.759 56.487 54.840 -0.187 0.000 0.747 310 L CB -0.743 41.012 42.059 -0.506 0.000 0.896 310 L HN 0.341 nan 8.230 nan 0.000 0.432 311 Y N -0.060 120.268 120.300 0.045 0.000 2.163 311 Y HA -0.205 4.344 4.550 -0.001 0.000 0.288 311 Y C 2.487 178.357 175.900 -0.050 0.000 1.136 311 Y CA 1.073 59.215 58.100 0.071 0.000 1.147 311 Y CB -0.103 38.383 38.460 0.042 0.000 0.987 311 Y HN 0.055 nan 8.280 nan 0.000 0.509 312 I N -1.345 119.185 120.570 -0.066 0.000 2.188 312 I HA -0.237 3.933 4.170 -0.000 0.000 0.237 312 I C 1.653 177.637 176.117 -0.222 0.000 1.073 312 I CA 1.436 62.565 61.300 -0.286 0.000 1.359 312 I CB -0.541 37.038 38.000 -0.703 0.000 1.083 312 I HN 0.098 nan 8.210 nan 0.000 0.412 313 F N 0.846 120.836 119.950 0.067 0.000 2.512 313 F HA 0.032 4.559 4.527 -0.000 0.000 0.296 313 F C 1.955 177.779 175.800 0.040 0.000 1.110 313 F CA 0.528 58.552 58.000 0.041 0.000 1.446 313 F CB -0.085 38.927 39.000 0.020 0.000 1.092 313 F HN -0.093 nan 8.300 nan 0.000 0.554 314 K N -0.067 120.433 120.400 0.167 0.000 2.387 314 K HA 0.068 4.388 4.320 -0.000 0.000 0.203 314 K C 0.082 176.764 176.600 0.137 0.000 1.030 314 K CA -0.117 56.248 56.287 0.130 0.000 1.099 314 K CB 0.129 32.681 32.500 0.086 0.000 0.863 314 K HN -0.058 nan 8.250 nan 0.000 0.529 315 N N 1.588 120.369 118.700 0.135 0.000 2.716 315 N HA -0.252 4.488 4.740 -0.000 0.000 0.250 315 N C -0.684 174.926 175.510 0.168 0.000 1.033 315 N CA 0.179 53.310 53.050 0.135 0.000 0.727 315 N CB -1.462 37.083 38.487 0.096 0.000 0.950 315 N HN 0.270 nan 8.380 nan 0.000 0.541 316 F N 0.408 120.372 119.950 0.023 0.000 2.459 316 F HA 0.440 4.967 4.527 -0.001 0.000 0.346 316 F C 0.596 176.456 175.800 0.100 0.000 1.128 316 F CA 0.270 58.259 58.000 -0.018 0.000 1.268 316 F CB 0.765 39.645 39.000 -0.201 0.000 1.161 316 F HN 0.090 nan 8.300 nan 0.000 0.583 317 T N 4.234 118.291 114.554 -0.830 0.000 2.861 317 T HA 0.377 4.727 4.350 -0.000 0.000 0.287 317 T C -1.174 172.972 174.700 -0.923 0.000 1.003 317 T CA -0.700 61.072 62.100 -0.547 0.000 0.977 317 T CB 1.409 70.134 68.868 -0.238 0.000 0.996 317 T HN 0.589 nan 8.240 nan 0.000 0.448 318 S N 1.570 117.044 115.700 -0.377 0.000 2.552 318 S HA 0.816 5.285 4.470 -0.000 0.000 0.314 318 S C -0.504 174.068 174.600 -0.046 0.000 1.099 318 S CA -0.420 57.674 58.200 -0.177 0.000 1.070 318 S CB 0.378 63.686 63.200 0.180 0.000 0.998 318 S HN 0.971 nan 8.310 nan 0.000 0.474 319 A N 3.538 126.332 122.820 -0.044 0.000 2.475 319 A HA 1.008 5.327 4.320 -0.000 0.000 0.281 319 A C 0.134 177.727 177.584 0.016 0.000 1.263 319 A CA -0.507 51.523 52.037 -0.012 0.000 0.776 319 A CB 0.928 19.911 19.000 -0.027 0.000 1.347 319 A HN 1.049 nan 8.150 nan 0.000 0.443 320 G N -1.592 107.228 108.800 0.033 0.000 2.600 320 G HA2 0.636 4.596 3.960 -0.000 0.000 0.303 320 G HA3 0.636 4.596 3.960 -0.000 0.000 0.303 320 G C -1.738 173.245 174.900 0.139 0.000 1.253 320 G CA -0.447 44.700 45.100 0.078 0.000 0.974 320 G HN 1.010 nan 8.290 nan 0.000 0.483 321 F N 0.287 120.271 119.950 0.057 0.000 2.557 321 F HA 0.665 5.192 4.527 -0.000 0.000 0.316 321 F C -2.114 173.855 175.800 0.281 0.000 1.141 321 F CA -1.452 56.616 58.000 0.112 0.000 0.922 321 F CB 2.077 41.099 39.000 0.037 0.000 1.194 321 F HN 0.448 nan 8.300 nan 0.000 0.443 322 W N 7.867 128.727 121.300 -0.733 0.000 2.591 322 W HA 0.381 5.040 4.660 -0.001 0.000 0.311 322 W C -0.285 175.818 176.519 -0.693 0.000 1.003 322 W CA -1.266 55.790 57.345 -0.482 0.000 1.332 322 W CB 1.251 30.579 29.460 -0.220 0.000 1.272 322 W HN 0.466 nan 8.180 nan 0.000 0.412 323 V N 4.730 124.369 119.914 -0.458 0.000 2.407 323 V HA -0.247 3.873 4.120 -0.000 0.000 0.248 323 V C 1.838 177.723 176.094 -0.347 0.000 1.055 323 V CA 3.229 65.324 62.300 -0.342 0.000 1.049 323 V CB -0.283 31.607 31.823 0.112 0.000 0.662 323 V HN 0.649 nan 8.190 nan 0.000 0.455 324 T N -0.129 114.103 114.554 -0.537 0.000 2.684 324 T HA -0.234 4.116 4.350 -0.000 0.000 0.267 324 T C 1.799 176.058 174.700 -0.735 0.000 1.036 324 T CA 2.047 63.755 62.100 -0.654 0.000 1.148 324 T CB -0.243 68.104 68.868 -0.868 0.000 0.863 324 T HN 0.611 nan 8.240 nan 0.000 0.436 325 E N 0.756 120.342 120.200 -1.024 0.000 2.107 325 E HA -0.024 4.325 4.350 -0.000 0.000 0.191 325 E C 1.976 178.402 176.600 -0.290 0.000 0.982 325 E CA 0.514 56.557 56.400 -0.594 0.000 0.809 325 E CB -0.528 28.942 29.700 -0.382 0.000 0.756 325 E HN 0.330 nan 8.360 nan 0.000 0.459 326 L N 0.001 121.068 121.223 -0.260 0.000 2.083 326 L HA -0.044 4.295 4.340 -0.000 0.000 0.209 326 L C 1.710 178.513 176.870 -0.111 0.000 1.083 326 L CA 1.689 56.452 54.840 -0.128 0.000 0.752 326 L CB -0.118 41.877 42.059 -0.105 0.000 0.899 326 L HN 0.255 nan 8.230 nan 0.000 0.433 327 L N -0.592 120.546 121.223 -0.142 0.000 2.640 327 L HA 0.056 4.396 4.340 -0.000 0.000 0.230 327 L C 2.185 179.008 176.870 -0.079 0.000 1.123 327 L CA 0.272 55.053 54.840 -0.099 0.000 0.900 327 L CB -0.453 41.555 42.059 -0.085 0.000 1.146 327 L HN 0.319 nan 8.230 nan 0.000 0.484 328 K N -0.121 120.215 120.400 -0.108 0.000 2.283 328 K HA -0.078 4.242 4.320 -0.000 0.000 0.202 328 K C 0.275 176.859 176.600 -0.027 0.000 1.048 328 K CA 1.146 57.395 56.287 -0.063 0.000 0.948 328 K CB 0.072 32.493 32.500 -0.132 0.000 0.742 328 K HN 0.239 nan 8.250 nan 0.000 0.458 329 N N 0.907 119.583 118.700 -0.040 0.000 2.646 329 N HA 0.066 4.806 4.740 -0.000 0.000 0.303 329 N C -1.332 174.165 175.510 -0.022 0.000 1.921 329 N CA -0.173 52.861 53.050 -0.026 0.000 0.872 329 N CB 0.966 39.430 38.487 -0.038 0.000 1.327 329 N HN 0.152 nan 8.380 nan 0.000 0.492 330 N N 0.795 119.483 118.700 -0.021 0.000 2.725 330 N HA 0.096 4.836 4.740 -0.000 0.000 0.225 330 N C 0.487 175.977 175.510 -0.034 0.000 1.465 330 N CA -0.098 52.937 53.050 -0.026 0.000 0.830 330 N CB 0.493 38.960 38.487 -0.034 0.000 1.460 330 N HN 0.024 nan 8.380 nan 0.000 0.538 331 K N -0.117 120.268 120.400 -0.025 0.000 2.280 331 K HA -0.135 4.185 4.320 -0.000 0.000 0.202 331 K C 1.308 177.878 176.600 -0.049 0.000 1.047 331 K CA 0.901 57.165 56.287 -0.039 0.000 0.942 331 K CB 0.470 32.953 32.500 -0.028 0.000 0.739 331 K HN 0.451 nan 8.250 nan 0.000 0.457 332 E N 1.050 121.226 120.200 -0.040 0.000 2.028 332 E HA -0.199 4.151 4.350 -0.000 0.000 0.191 332 E C 1.995 178.563 176.600 -0.054 0.000 0.988 332 E CA 0.791 57.166 56.400 -0.042 0.000 0.799 332 E CB 0.036 29.719 29.700 -0.028 0.000 0.755 332 E HN 0.111 nan 8.360 nan 0.000 0.447 333 L N 1.644 122.834 121.223 -0.056 0.000 2.083 333 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 333 L C 2.299 179.115 176.870 -0.090 0.000 1.083 333 L CA 2.034 56.829 54.840 -0.075 0.000 0.752 333 L CB -0.513 41.485 42.059 -0.102 0.000 0.899 333 L HN 0.020 nan 8.230 nan 0.000 0.433 334 K N -1.415 118.936 120.400 -0.083 0.000 2.026 334 K HA -0.160 4.160 4.320 -0.000 0.000 0.208 334 K C 1.853 178.393 176.600 -0.101 0.000 1.048 334 K CA 2.028 58.263 56.287 -0.087 0.000 0.929 334 K CB -0.348 32.102 32.500 -0.082 0.000 0.713 334 K HN 0.348 nan 8.250 nan 0.000 0.439 335 T N 0.002 114.500 114.554 -0.093 0.000 2.708 335 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 335 T C 1.952 176.578 174.700 -0.123 0.000 1.037 335 T CA 1.568 63.611 62.100 -0.096 0.000 1.146 335 T CB -0.412 68.409 68.868 -0.077 0.000 0.865 335 T HN 0.404 nan 8.240 nan 0.000 0.435 336 S N 0.571 116.196 115.700 -0.124 0.000 2.368 336 S HA -0.161 4.309 4.470 -0.000 0.000 0.225 336 S C 2.175 176.624 174.600 -0.252 0.000 1.030 336 S CA 2.028 60.135 58.200 -0.155 0.000 0.999 336 S CB -0.771 62.363 63.200 -0.110 0.000 0.844 336 S HN 0.551 nan 8.310 nan 0.000 0.459 337 T N 2.521 116.923 114.554 -0.252 0.000 2.737 337 T HA -0.007 4.343 4.350 -0.000 0.000 0.265 337 T C 1.714 176.184 174.700 -0.383 0.000 1.038 337 T CA 1.330 63.192 62.100 -0.396 0.000 1.144 337 T CB -0.536 68.195 68.868 -0.228 0.000 0.866 337 T HN 0.305 nan 8.240 nan 0.000 0.434 338 L N 2.024 123.109 121.223 -0.231 0.000 2.046 338 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 338 L C 1.927 178.684 176.870 -0.189 0.000 1.077 338 L CA 1.651 56.388 54.840 -0.172 0.000 0.747 338 L CB -0.827 41.170 42.059 -0.103 0.000 0.896 338 L HN 0.092 nan 8.230 nan 0.000 0.432 339 N N -0.585 117.994 118.700 -0.203 0.000 2.166 339 N HA -0.221 4.519 4.740 -0.000 0.000 0.186 339 N C 1.813 177.142 175.510 -0.301 0.000 1.019 339 N CA 1.240 54.173 53.050 -0.195 0.000 0.856 339 N CB -0.294 38.092 38.487 -0.169 0.000 0.993 339 N HN 0.450 nan 8.380 nan 0.000 0.426 340 Q N 0.708 120.228 119.800 -0.466 0.000 2.079 340 Q HA 0.018 4.358 4.340 -0.000 0.000 0.200 340 Q C 1.743 177.283 176.000 -0.767 0.000 0.974 340 Q CA 1.051 56.400 55.803 -0.756 0.000 0.840 340 Q CB -0.157 27.963 28.738 -1.030 0.000 0.898 340 Q HN 0.231 nan 8.270 nan 0.000 0.430 341 I N 0.186 120.457 120.570 -0.498 0.000 2.202 341 I HA -0.224 3.946 4.170 -0.000 0.000 0.242 341 I C 2.278 178.341 176.117 -0.089 0.000 1.091 341 I CA 1.150 62.296 61.300 -0.257 0.000 1.368 341 I CB -1.103 36.792 38.000 -0.175 0.000 1.058 341 I HN 0.279 nan 8.210 nan 0.000 0.410 342 I N 1.148 121.699 120.570 -0.031 0.000 2.163 342 I HA -0.288 3.882 4.170 -0.000 0.000 0.243 342 I C 2.781 178.947 176.117 0.082 0.000 1.085 342 I CA 1.458 62.820 61.300 0.103 0.000 1.347 342 I CB -0.439 37.586 38.000 0.042 0.000 1.044 342 I HN 0.134 nan 8.210 nan 0.000 0.408 343 A N 0.365 123.152 122.820 -0.055 0.000 1.902 343 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 343 A C 2.066 179.713 177.584 0.105 0.000 1.181 343 A CA 1.396 53.413 52.037 -0.035 0.000 0.623 343 A CB -0.918 17.984 19.000 -0.164 0.000 0.818 343 A HN 0.527 nan 8.150 nan 0.000 0.443 344 W N -1.072 120.206 121.300 -0.037 0.000 2.363 344 W HA -0.088 4.572 4.660 -0.000 0.000 0.296 344 W C 2.163 178.691 176.519 0.015 0.000 1.212 344 W CA 0.612 57.926 57.345 -0.051 0.000 1.260 344 W CB -1.314 28.069 29.460 -0.129 0.000 1.131 344 W HN 0.571 nan 8.180 nan 0.000 0.530 345 Y N 0.511 120.960 120.300 0.248 0.000 2.163 345 Y HA -0.223 4.327 4.550 -0.000 0.000 0.288 345 Y C 2.472 178.440 175.900 0.113 0.000 1.136 345 Y CA 1.397 59.595 58.100 0.164 0.000 1.147 345 Y CB -0.307 38.236 38.460 0.138 0.000 0.987 345 Y HN -0.039 nan 8.280 nan 0.000 0.509 346 E N 0.073 120.427 120.200 0.257 0.000 2.153 346 E HA -0.214 4.135 4.350 -0.000 0.000 0.194 346 E C 1.526 178.199 176.600 0.122 0.000 0.988 346 E CA 1.179 57.665 56.400 0.143 0.000 0.811 346 E CB -0.117 29.636 29.700 0.088 0.000 0.746 346 E HN 0.583 nan 8.360 nan 0.000 0.466 347 E N -0.538 119.751 120.200 0.149 0.000 2.502 347 E HA 0.023 4.372 4.350 -0.000 0.000 0.194 347 E C 0.893 177.557 176.600 0.108 0.000 1.062 347 E CA 0.284 56.757 56.400 0.122 0.000 0.867 347 E CB 0.378 30.170 29.700 0.154 0.000 0.888 347 E HN 0.356 nan 8.360 nan 0.000 0.510 348 G N 1.757 110.637 108.800 0.134 0.000 2.153 348 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.252 348 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.252 348 G C 0.760 175.704 174.900 0.073 0.000 0.994 348 G CA 0.709 45.876 45.100 0.111 0.000 0.698 348 G HN 0.273 nan 8.290 nan 0.000 0.521 349 K N -1.336 119.102 120.400 0.064 0.000 2.379 349 K HA 0.409 4.729 4.320 -0.000 0.000 0.194 349 K C 0.565 177.080 176.600 -0.142 0.000 1.031 349 K CA 0.248 56.493 56.287 -0.070 0.000 1.037 349 K CB 0.596 33.000 32.500 -0.160 0.000 0.824 349 K HN 0.384 nan 8.250 nan 0.000 0.516 350 L N -0.032 121.179 121.223 -0.020 0.000 2.401 350 L HA 0.351 4.691 4.340 -0.000 0.000 0.266 350 L C -0.812 176.152 176.870 0.156 0.000 0.991 350 L CA -0.278 54.531 54.840 -0.051 0.000 0.818 350 L CB 2.384 44.325 42.059 -0.196 0.000 1.321 350 L HN -0.239 nan 8.230 nan 0.000 0.413 351 T N 1.434 116.088 114.554 0.166 0.000 2.942 351 T HA 0.517 4.866 4.350 -0.000 0.000 0.289 351 T C -1.307 173.608 174.700 0.357 0.000 1.044 351 T CA -0.664 61.611 62.100 0.291 0.000 1.023 351 T CB 0.854 69.797 68.868 0.126 0.000 1.123 351 T HN 0.776 nan 8.240 nan 0.000 0.512 352 D N 1.533 122.156 120.400 0.371 0.000 2.283 352 D HA 0.420 5.059 4.640 -0.000 0.000 0.248 352 D C -0.192 176.121 176.300 0.022 0.000 1.072 352 D CA -0.630 53.571 54.000 0.335 0.000 0.929 352 D CB 1.215 42.208 40.800 0.322 0.000 1.182 352 D HN 0.635 nan 8.370 nan 0.000 0.433 353 A N 2.419 125.141 122.820 -0.163 0.000 2.484 353 A HA 0.132 4.452 4.320 -0.000 0.000 0.268 353 A C 0.578 178.169 177.584 0.011 0.000 1.114 353 A CA -0.486 51.440 52.037 -0.185 0.000 0.780 353 A CB 0.005 18.885 19.000 -0.201 0.000 1.061 353 A HN 0.367 nan 8.150 nan 0.000 0.505 354 K N 1.727 122.130 120.400 0.005 0.000 2.276 354 K HA 0.381 4.701 4.320 -0.000 0.000 0.259 354 K C 0.034 176.654 176.600 0.033 0.000 1.001 354 K CA 0.146 56.449 56.287 0.027 0.000 0.927 354 K CB 0.665 33.173 32.500 0.012 0.000 0.969 354 K HN 0.604 nan 8.250 nan 0.000 0.490 355 S N 0.658 116.375 115.700 0.028 0.000 2.568 355 S HA 0.509 4.979 4.470 -0.000 0.000 0.293 355 S C 0.069 174.666 174.600 -0.004 0.000 1.089 355 S CA -0.807 57.405 58.200 0.020 0.000 0.945 355 S CB 1.238 64.453 63.200 0.026 0.000 1.077 355 S HN 0.374 nan 8.310 nan 0.000 0.485 356 I N 2.512 123.073 120.570 -0.015 0.000 2.322 356 I HA 0.183 4.353 4.170 -0.000 0.000 0.292 356 I C 0.167 176.248 176.117 -0.059 0.000 1.060 356 I CA -0.023 61.257 61.300 -0.034 0.000 1.309 356 I CB 0.467 38.445 38.000 -0.035 0.000 1.415 356 I HN 0.542 nan 8.210 nan 0.000 0.492 357 E N 5.145 125.307 120.200 -0.063 0.000 2.227 357 E HA 0.350 4.700 4.350 -0.000 0.000 0.282 357 E C -0.702 175.828 176.600 -0.117 0.000 1.015 357 E CA -0.493 55.854 56.400 -0.090 0.000 0.823 357 E CB 1.410 31.068 29.700 -0.069 0.000 1.081 357 E HN 0.415 nan 8.360 nan 0.000 0.396 358 T N 3.240 117.692 114.554 -0.170 0.000 2.791 358 T HA 0.236 4.586 4.350 -0.000 0.000 0.288 358 T C -0.591 173.975 174.700 -0.224 0.000 0.999 358 T CA -0.664 61.321 62.100 -0.192 0.000 0.952 358 T CB 0.510 69.237 68.868 -0.235 0.000 0.938 358 T HN 0.211 nan 8.240 nan 0.000 0.444 359 L N 4.891 126.008 121.223 -0.176 0.000 2.290 359 L HA 0.464 4.804 4.340 -0.000 0.000 0.284 359 L C -0.636 176.126 176.870 -0.181 0.000 1.078 359 L CA -0.647 54.087 54.840 -0.177 0.000 0.815 359 L CB 0.117 42.104 42.059 -0.120 0.000 1.162 359 L HN 0.639 nan 8.230 nan 0.000 0.435 360 Y N 4.775 124.846 120.300 -0.381 0.000 2.359 360 Y HA 0.318 4.867 4.550 -0.001 0.000 0.334 360 Y C 0.252 176.056 175.900 -0.161 0.000 1.058 360 Y CA -0.244 57.664 58.100 -0.320 0.000 1.244 360 Y CB 0.707 38.864 38.460 -0.505 0.000 1.187 360 Y HN 0.833 nan 8.280 nan 0.000 0.510 361 D N 2.391 122.362 120.400 -0.715 0.000 2.556 361 D HA 0.201 4.840 4.640 -0.000 0.000 0.237 361 D C 1.335 177.256 176.300 -0.631 0.000 1.296 361 D CA 0.255 53.941 54.000 -0.523 0.000 0.807 361 D CB 0.088 40.731 40.800 -0.261 0.000 1.084 361 D HN 0.853 nan 8.370 nan 0.000 0.510 362 G N 0.540 108.629 108.800 -1.184 0.000 2.205 362 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.261 362 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.261 362 G C 1.245 175.997 174.900 -0.247 0.000 0.980 362 G CA 1.063 45.802 45.100 -0.602 0.000 0.632 362 G HN 0.695 nan 8.290 nan 0.000 0.533 363 T N -2.621 111.789 114.554 -0.239 0.000 3.067 363 T HA 0.359 4.708 4.350 -0.000 0.000 0.257 363 T C 0.806 175.468 174.700 -0.062 0.000 1.105 363 T CA 1.490 63.522 62.100 -0.112 0.000 1.104 363 T CB 0.454 69.260 68.868 -0.103 0.000 0.925 363 T HN 0.590 nan 8.240 nan 0.000 0.498 364 K N 1.799 122.161 120.400 -0.063 0.000 2.507 364 K HA 0.491 4.811 4.320 -0.000 0.000 0.252 364 K C -3.179 173.489 176.600 0.113 0.000 0.943 364 K CA -2.518 53.770 56.287 0.002 0.000 0.808 364 K CB 1.769 34.248 32.500 -0.036 0.000 1.142 364 K HN -0.115 nan 8.250 nan 0.000 0.426 365 P HA -0.154 nan 4.420 nan 0.000 0.261 365 P C 0.561 177.983 177.300 0.204 0.000 1.165 365 P CA -0.041 63.195 63.100 0.226 0.000 0.759 365 P CB 0.434 32.257 31.700 0.206 0.000 0.772 366 L N 5.240 126.629 121.223 0.277 0.000 1.990 366 L HA -0.246 4.094 4.340 -0.000 0.000 0.213 366 L C 2.437 179.414 176.870 0.177 0.000 1.072 366 L CA 2.017 56.913 54.840 0.093 0.000 0.755 366 L CB -1.307 40.669 42.059 -0.138 0.000 0.889 366 L HN 0.597 nan 8.230 nan 0.000 0.432 367 H N -0.963 118.204 119.070 0.161 0.000 2.457 367 H HA -0.169 4.386 4.556 -0.000 0.000 0.297 367 H C 1.734 177.155 175.328 0.156 0.000 1.092 367 H CA 1.815 57.977 56.048 0.191 0.000 1.309 367 H CB -0.541 29.308 29.762 0.146 0.000 1.382 367 H HN 0.586 nan 8.280 nan 0.000 0.535 368 E N 0.235 120.109 120.200 -0.543 0.000 2.150 368 E HA -0.063 4.287 4.350 -0.000 0.000 0.193 368 E C 2.276 178.765 176.600 -0.185 0.000 0.985 368 E CA 0.653 56.825 56.400 -0.380 0.000 0.814 368 E CB 0.122 29.614 29.700 -0.345 0.000 0.752 368 E HN 0.260 nan 8.360 nan 0.000 0.466 369 L N -0.278 120.841 121.223 -0.174 0.000 2.083 369 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 369 L C 1.861 178.491 176.870 -0.399 0.000 1.083 369 L CA 1.608 56.282 54.840 -0.276 0.000 0.752 369 L CB -0.498 41.357 42.059 -0.340 0.000 0.899 369 L HN 0.181 nan 8.230 nan 0.000 0.433 370 Y N -0.882 119.264 120.300 -0.255 0.000 2.337 370 Y HA -0.161 4.389 4.550 -0.001 0.000 0.293 370 Y C 2.612 178.376 175.900 -0.227 0.000 1.123 370 Y CA 0.875 58.733 58.100 -0.402 0.000 1.201 370 Y CB -0.190 37.911 38.460 -0.598 0.000 1.011 370 Y HN 0.232 nan 8.280 nan 0.000 0.545 371 Q N -0.057 119.758 119.800 0.025 0.000 2.119 371 Q HA -0.190 4.150 4.340 -0.000 0.000 0.201 371 Q C 1.401 177.394 176.000 -0.013 0.000 0.972 371 Q CA 1.546 57.376 55.803 0.046 0.000 0.847 371 Q CB -0.079 28.691 28.738 0.052 0.000 0.903 371 Q HN 0.440 nan 8.270 nan 0.000 0.433 372 D N -0.176 120.181 120.400 -0.072 0.000 2.097 372 D HA -0.105 4.535 4.640 -0.000 0.000 0.197 372 D C 1.872 178.120 176.300 -0.086 0.000 0.984 372 D CA 1.406 55.358 54.000 -0.080 0.000 0.826 372 D CB -0.576 40.158 40.800 -0.111 0.000 0.973 372 D HN 0.359 nan 8.370 nan 0.000 0.460 373 G N 0.524 109.237 108.800 -0.145 0.000 2.442 373 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.219 373 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.219 373 G C 1.831 176.702 174.900 -0.048 0.000 1.141 373 G CA 0.835 45.852 45.100 -0.139 0.000 0.763 373 G HN 0.236 nan 8.290 nan 0.000 0.554 374 V N 1.399 121.306 119.914 -0.011 0.000 2.307 374 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 374 V C 3.307 179.429 176.094 0.047 0.000 1.045 374 V CA 2.016 64.353 62.300 0.063 0.000 1.024 374 V CB -0.801 31.093 31.823 0.119 0.000 0.651 374 V HN 0.461 nan 8.190 nan 0.000 0.449 375 A N 0.215 123.051 122.820 0.026 0.000 2.015 375 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 375 A C 1.739 179.330 177.584 0.011 0.000 1.163 375 A CA 1.673 53.722 52.037 0.020 0.000 0.646 375 A CB -0.457 18.549 19.000 0.009 0.000 0.806 375 A HN 0.604 nan 8.150 nan 0.000 0.448 376 N N -0.019 118.680 118.700 -0.002 0.000 2.268 376 N HA -0.011 4.729 4.740 -0.000 0.000 0.204 376 N C 1.541 177.055 175.510 0.008 0.000 1.124 376 N CA 0.832 53.879 53.050 -0.005 0.000 0.838 376 N CB 0.092 38.563 38.487 -0.026 0.000 0.994 376 N HN 0.615 nan 8.380 nan 0.000 0.489 377 S N 1.270 116.985 115.700 0.026 0.000 2.392 377 S HA -0.204 4.266 4.470 -0.000 0.000 0.232 377 S C 1.690 176.316 174.600 0.043 0.000 1.041 377 S CA 1.003 59.229 58.200 0.043 0.000 1.026 377 S CB -0.212 63.030 63.200 0.069 0.000 0.845 377 S HN 0.229 nan 8.310 nan 0.000 0.465 378 K N 1.036 121.460 120.400 0.040 0.000 2.211 378 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 378 K C 1.420 178.037 176.600 0.028 0.000 1.047 378 K CA 1.463 57.773 56.287 0.038 0.000 0.935 378 K CB -0.323 32.197 32.500 0.033 0.000 0.728 378 K HN 0.486 nan 8.250 nan 0.000 0.452 379 D N -0.174 120.237 120.400 0.018 0.000 2.312 379 D HA 0.011 4.651 4.640 -0.000 0.000 0.211 379 D C 0.958 177.266 176.300 0.015 0.000 0.964 379 D CA 0.918 54.925 54.000 0.011 0.000 0.877 379 D CB 0.349 41.148 40.800 -0.001 0.000 0.924 379 D HN 0.348 nan 8.370 nan 0.000 0.515 380 G N 0.172 108.986 108.800 0.024 0.000 2.340 380 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.527 380 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.527 380 G C -1.013 173.908 174.900 0.035 0.000 1.381 380 G CA -1.036 44.083 45.100 0.031 0.000 1.001 380 G HN 0.036 nan 8.290 nan 0.000 0.626 381 K N 0.762 121.192 120.400 0.050 0.000 2.511 381 K HA 0.189 4.508 4.320 -0.000 0.000 0.277 381 K C 0.332 176.951 176.600 0.031 0.000 1.025 381 K CA 0.744 57.068 56.287 0.062 0.000 1.112 381 K CB 0.272 32.824 32.500 0.087 0.000 0.859 381 K HN 0.454 nan 8.250 nan 0.000 0.485 382 Q N 3.461 123.274 119.800 0.021 0.000 2.282 382 Q HA 0.412 4.752 4.340 -0.000 0.000 0.260 382 Q C -0.969 175.007 176.000 -0.040 0.000 0.964 382 Q CA -0.992 54.791 55.803 -0.033 0.000 0.880 382 Q CB 1.772 30.470 28.738 -0.067 0.000 1.286 382 Q HN 0.523 nan 8.270 nan 0.000 0.445 383 L N 3.150 124.326 121.223 -0.078 0.000 2.406 383 L HA 0.464 4.804 4.340 -0.000 0.000 0.272 383 L C -1.465 175.299 176.870 -0.177 0.000 0.980 383 L CA -0.561 54.232 54.840 -0.077 0.000 0.831 383 L CB 1.400 43.441 42.059 -0.030 0.000 1.253 383 L HN 0.452 nan 8.230 nan 0.000 0.406 384 I N 4.051 124.468 120.570 -0.255 0.000 2.342 384 I HA 0.503 4.673 4.170 -0.000 0.000 0.291 384 I C 0.602 176.578 176.117 -0.234 0.000 1.010 384 I CA 0.247 61.295 61.300 -0.419 0.000 1.308 384 I CB 1.655 39.120 38.000 -0.892 0.000 1.400 384 I HN 0.777 nan 8.210 nan 0.000 0.488 385 T N 2.921 117.308 114.554 -0.278 0.000 2.950 385 T HA 0.757 5.107 4.350 -0.000 0.000 0.288 385 T C -0.607 173.933 174.700 -0.266 0.000 1.035 385 T CA -0.585 61.444 62.100 -0.118 0.000 1.028 385 T CB 1.451 70.272 68.868 -0.078 0.000 1.109 385 T HN 0.235 nan 8.240 nan 0.000 0.514 386 Y N 0.000 120.276 120.300 -0.040 0.000 2.660 386 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 386 Y CA 0.000 58.111 58.100 0.019 0.000 1.940 386 Y CB 0.000 38.460 38.460 0.000 0.000 1.050 386 Y HN 0.000 nan 8.280 nan 0.000 0.758