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 1xfh_1_C DATA FIRST_RESID 12 DATA SEQUENCE VLQKILIGLI LGAIVGLILG HYGYAHAVHT YVKPFGDLFV RLLKMLVMPI DATA SEQUENCE VFASLVVGAA SISPARLGRV GVKIVVYYLL TSAFAVTLGI IMARLFNPGA DATA SEQUENCE GIHLAVGGQQ FQPHQAPPLV HILLDIVPTN PFGALANGQV LPTIFFAIIL DATA SEQUENCE GIAITYLMNS ENEKVRKSAE TLLDAINGLA EAMYKIVNGV MQYAPIGVFA DATA SEQUENCE LIAYVMAEQG VHVVGELAKV TAAVYVGLTL QILLVYFVLL KIYGIDPISF DATA SEQUENCE IKHAKDAMLT AFVTRSSSGT LPVTMRVAKE MGISEGIYSF TLPLGATINM DATA SEQUENCE DGTALYQGVC TFFIANALGS HLTVGQQLTI VLTAVLASIG TAGVPGAGAI DATA SEQUENCE MLAMVLHSVG LPLTDPNVAA AYAMILGIDA ILDMGRTMVN VTGDLTGTAI DATA SEQUENCE VAKTEG 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 12 V HA 0.000 nan 4.120 nan 0.000 0.244 12 V C 0.000 176.079 176.094 -0.025 0.000 1.182 12 V CA 0.000 62.286 62.300 -0.023 0.000 1.235 12 V CB 0.000 31.815 31.823 -0.013 0.000 1.184 13 L N -0.065 121.149 121.223 -0.015 0.000 2.353 13 L HA 0.328 4.666 4.340 -0.004 0.000 0.220 13 L C 2.393 179.252 176.870 -0.018 0.000 1.133 13 L CA 4.287 59.119 54.840 -0.013 0.000 0.798 13 L CB -2.096 39.961 42.059 -0.004 0.000 0.922 13 L HN 1.462 nan 8.230 nan 0.000 0.445 14 Q N -0.575 119.212 119.800 -0.021 0.000 2.259 14 Q HA 0.116 4.453 4.340 -0.004 0.000 0.201 14 Q C 2.544 178.523 176.000 -0.035 0.000 0.938 14 Q CA 1.939 57.727 55.803 -0.025 0.000 0.872 14 Q CB -0.732 27.993 28.738 -0.023 0.000 0.971 14 Q HN 0.842 nan 8.270 nan 0.000 0.494 15 K N 0.675 121.050 120.400 -0.042 0.000 2.148 15 K HA 0.157 4.474 4.320 -0.004 0.000 0.204 15 K C 2.080 178.643 176.600 -0.062 0.000 1.050 15 K CA 1.302 57.555 56.287 -0.058 0.000 0.942 15 K CB -0.584 31.878 32.500 -0.063 0.000 0.724 15 K HN 0.627 nan 8.250 nan 0.000 0.446 16 I N 0.143 120.682 120.570 -0.052 0.000 2.286 16 I HA -0.155 4.013 4.170 -0.004 0.000 0.245 16 I C 2.338 178.445 176.117 -0.018 0.000 1.104 16 I CA 0.517 61.790 61.300 -0.045 0.000 1.397 16 I CB 0.047 38.021 38.000 -0.042 0.000 1.072 16 I HN 0.175 nan 8.210 nan 0.000 0.417 17 L N 0.762 121.974 121.223 -0.019 0.000 2.046 17 L HA -0.202 4.136 4.340 -0.004 0.000 0.208 17 L C 2.974 179.838 176.870 -0.010 0.000 1.077 17 L CA 2.196 57.028 54.840 -0.013 0.000 0.747 17 L CB -1.293 40.755 42.059 -0.019 0.000 0.896 17 L HN 0.292 nan 8.230 nan 0.000 0.432 18 I N -0.910 119.644 120.570 -0.026 0.000 2.208 18 I HA -0.143 4.025 4.170 -0.004 0.000 0.245 18 I C 2.567 178.662 176.117 -0.037 0.000 1.097 18 I CA 1.978 63.254 61.300 -0.039 0.000 1.363 18 I CB -1.769 36.194 38.000 -0.061 0.000 1.051 18 I HN 0.337 nan 8.210 nan 0.000 0.413 19 G N -0.158 108.627 108.800 -0.026 0.000 2.394 19 G HA2 -0.123 3.835 3.960 -0.004 0.000 0.214 19 G HA3 -0.123 3.835 3.960 -0.004 0.000 0.214 19 G C 1.671 176.650 174.900 0.133 0.000 1.176 19 G CA 1.086 46.201 45.100 0.026 0.000 0.786 19 G HN 0.642 nan 8.290 nan 0.000 0.533 20 L N 0.881 122.160 121.223 0.093 0.000 1.989 20 L HA -0.073 4.265 4.340 -0.004 0.000 0.211 20 L C 2.549 179.489 176.870 0.117 0.000 1.071 20 L CA 1.534 56.444 54.840 0.117 0.000 0.749 20 L CB -0.580 41.526 42.059 0.079 0.000 0.890 20 L HN 0.109 nan 8.230 nan 0.000 0.431 21 I N -0.201 120.412 120.570 0.071 0.000 2.113 21 I HA -0.238 3.930 4.170 -0.004 0.000 0.238 21 I C 2.586 178.749 176.117 0.075 0.000 1.070 21 I CA 1.829 63.164 61.300 0.059 0.000 1.332 21 I CB -1.586 36.428 38.000 0.025 0.000 1.044 21 I HN 0.487 nan 8.210 nan 0.000 0.402 22 L N 0.771 122.028 121.223 0.058 0.000 2.187 22 L HA 0.017 4.354 4.340 -0.004 0.000 0.213 22 L C 2.198 179.175 176.870 0.179 0.000 1.100 22 L CA 2.169 57.040 54.840 0.053 0.000 0.765 22 L CB -1.436 40.597 42.059 -0.043 0.000 0.904 22 L HN 0.141 nan 8.230 nan 0.000 0.437 23 G N -0.279 108.714 108.800 0.322 0.000 2.464 23 G HA2 -0.175 3.782 3.960 -0.004 0.000 0.214 23 G HA3 -0.175 3.782 3.960 -0.004 0.000 0.214 23 G C 1.629 176.660 174.900 0.218 0.000 1.218 23 G CA 0.927 46.336 45.100 0.516 0.000 0.794 23 G HN 0.646 nan 8.290 nan 0.000 0.542 24 A N 0.185 123.098 122.820 0.155 0.000 2.042 24 A HA -0.054 4.264 4.320 -0.004 0.000 0.222 24 A C 2.362 179.999 177.584 0.088 0.000 1.167 24 A CA 1.641 53.744 52.037 0.109 0.000 0.649 24 A CB -0.336 18.736 19.000 0.121 0.000 0.809 24 A HN 0.360 nan 8.150 nan 0.000 0.457 25 I N -1.329 119.296 120.570 0.093 0.000 2.235 25 I HA -0.126 4.041 4.170 -0.004 0.000 0.241 25 I C 2.387 178.542 176.117 0.064 0.000 1.085 25 I CA 0.892 62.230 61.300 0.063 0.000 1.378 25 I CB -0.244 37.783 38.000 0.045 0.000 1.076 25 I HN 0.115 nan 8.210 nan 0.000 0.415 26 V N 0.802 120.782 119.914 0.111 0.000 2.392 26 V HA -0.256 3.862 4.120 -0.004 0.000 0.249 26 V C 2.398 178.543 176.094 0.085 0.000 1.059 26 V CA 2.124 64.495 62.300 0.119 0.000 1.051 26 V CB -1.547 30.441 31.823 0.275 0.000 0.658 26 V HN 0.598 nan 8.190 nan 0.000 0.455 27 G N -0.322 108.527 108.800 0.081 0.000 2.575 27 G HA2 -0.239 3.718 3.960 -0.004 0.000 0.215 27 G HA3 -0.239 3.718 3.960 -0.004 0.000 0.215 27 G C 1.454 176.386 174.900 0.054 0.000 1.262 27 G CA 0.921 46.051 45.100 0.050 0.000 0.807 27 G HN 0.344 nan 8.290 nan 0.000 0.567 28 L N 1.020 122.274 121.223 0.052 0.000 2.123 28 L HA -0.169 4.168 4.340 -0.004 0.000 0.217 28 L C 2.814 179.731 176.870 0.080 0.000 1.081 28 L CA 1.290 56.166 54.840 0.062 0.000 0.772 28 L CB -0.654 41.438 42.059 0.054 0.000 0.890 28 L HN 0.341 nan 8.230 nan 0.000 0.437 29 I N -1.606 118.987 120.570 0.039 0.000 2.179 29 I HA -0.343 3.825 4.170 -0.004 0.000 0.242 29 I C 2.272 178.417 176.117 0.046 0.000 1.088 29 I CA 1.193 62.493 61.300 -0.000 0.000 1.357 29 I CB -0.259 37.677 38.000 -0.107 0.000 1.051 29 I HN 0.213 nan 8.210 nan 0.000 0.409 30 L N 0.389 121.632 121.223 0.033 0.000 2.191 30 L HA -0.103 4.234 4.340 -0.004 0.000 0.212 30 L C 2.563 179.559 176.870 0.209 0.000 1.103 30 L CA 1.291 56.182 54.840 0.086 0.000 0.769 30 L CB -0.934 41.173 42.059 0.080 0.000 0.908 30 L HN 0.297 nan 8.230 nan 0.000 0.438 31 G N -1.882 107.018 108.800 0.167 0.000 2.448 31 G HA2 -0.235 3.722 3.960 -0.004 0.000 0.218 31 G HA3 -0.235 3.722 3.960 -0.004 0.000 0.218 31 G C 1.543 176.539 174.900 0.160 0.000 1.135 31 G CA 0.248 45.435 45.100 0.145 0.000 0.784 31 G HN 0.351 nan 8.290 nan 0.000 0.543 32 H N -1.236 117.922 119.070 0.147 0.000 2.497 32 H HA 0.113 4.666 4.556 -0.004 0.000 0.282 32 H C 0.970 176.432 175.328 0.223 0.000 1.003 32 H CA 0.451 56.595 56.048 0.160 0.000 1.307 32 H CB 0.352 30.208 29.762 0.156 0.000 1.437 32 H HN 0.354 nan 8.280 nan 0.000 0.544 33 Y N 0.223 120.642 120.300 0.199 0.000 2.471 33 Y HA 0.202 4.750 4.550 -0.004 0.000 0.286 33 Y C 1.373 177.430 175.900 0.261 0.000 1.188 33 Y CA 0.479 58.680 58.100 0.169 0.000 1.286 33 Y CB 0.175 38.656 38.460 0.036 0.000 1.072 33 Y HN 0.331 nan 8.280 nan 0.000 0.517 34 G N -0.038 108.953 108.800 0.318 0.000 2.298 34 G HA2 -0.348 3.609 3.960 -0.004 0.000 0.287 34 G HA3 -0.348 3.609 3.960 -0.004 0.000 0.287 34 G C -0.057 175.034 174.900 0.320 0.000 1.075 34 G CA 0.219 45.462 45.100 0.238 0.000 0.960 34 G HN 0.457 nan 8.290 nan 0.000 0.502 35 Y N -0.766 119.610 120.300 0.127 0.000 2.660 35 Y HA 0.510 5.058 4.550 -0.004 0.000 0.254 35 Y C 2.331 178.315 175.900 0.140 0.000 1.176 35 Y CA 0.371 58.547 58.100 0.127 0.000 1.195 35 Y CB 0.088 38.622 38.460 0.123 0.000 1.190 35 Y HN 0.439 nan 8.280 nan 0.000 0.535 36 A N -0.151 122.812 122.820 0.239 0.000 1.881 36 A HA -0.337 3.980 4.320 -0.004 0.000 0.219 36 A C 1.833 179.569 177.584 0.255 0.000 1.215 36 A CA 2.649 54.806 52.037 0.200 0.000 0.648 36 A CB -0.839 18.241 19.000 0.134 0.000 0.832 36 A HN 0.548 nan 8.150 nan 0.000 0.455 37 H N -0.786 118.340 119.070 0.094 0.000 2.387 37 H HA 0.087 4.640 4.556 -0.004 0.000 0.299 37 H C 2.261 177.675 175.328 0.144 0.000 1.090 37 H CA 1.521 57.614 56.048 0.074 0.000 1.332 37 H CB -0.177 29.577 29.762 -0.013 0.000 1.386 37 H HN 0.486 nan 8.280 nan 0.000 0.516 38 A N -0.444 122.500 122.820 0.206 0.000 2.119 38 A HA -0.016 4.302 4.320 -0.004 0.000 0.217 38 A C 2.411 180.146 177.584 0.252 0.000 1.153 38 A CA 1.056 53.202 52.037 0.182 0.000 0.692 38 A CB -0.291 18.736 19.000 0.046 0.000 0.799 38 A HN 0.280 nan 8.150 nan 0.000 0.458 39 V N -0.660 119.419 119.914 0.276 0.000 2.649 39 V HA -0.157 3.960 4.120 -0.004 0.000 0.248 39 V C 2.455 178.706 176.094 0.261 0.000 1.054 39 V CA 1.744 64.204 62.300 0.267 0.000 1.073 39 V CB -0.799 31.179 31.823 0.259 0.000 0.699 39 V HN 0.816 nan 8.190 nan 0.000 0.463 40 H N 0.988 120.152 119.070 0.157 0.000 2.423 40 H HA -0.099 4.455 4.556 -0.005 0.000 0.297 40 H C 2.025 177.297 175.328 -0.093 0.000 1.075 40 H CA 2.063 58.089 56.048 -0.036 0.000 1.342 40 H CB 0.010 29.751 29.762 -0.035 0.000 1.395 40 H HN 0.495 nan 8.280 nan 0.000 0.530 41 T N -1.859 112.828 114.554 0.222 0.000 3.081 41 T HA 0.007 4.354 4.350 -0.004 0.000 0.255 41 T C 1.270 176.024 174.700 0.091 0.000 1.113 41 T CA 0.433 62.626 62.100 0.156 0.000 1.082 41 T CB -0.066 68.931 68.868 0.215 0.000 0.939 41 T HN 0.261 nan 8.240 nan 0.000 0.506 42 Y N -0.939 119.371 120.300 0.018 0.000 2.652 42 Y HA 0.217 4.764 4.550 -0.004 0.000 0.274 42 Y C 2.277 178.224 175.900 0.079 0.000 1.148 42 Y CA -0.027 58.102 58.100 0.048 0.000 1.219 42 Y CB 1.069 39.600 38.460 0.119 0.000 1.337 42 Y HN 0.058 nan 8.280 nan 0.000 0.490 43 V N -0.269 119.785 119.914 0.234 0.000 2.403 43 V HA -0.024 4.093 4.120 -0.004 0.000 0.239 43 V C 2.435 178.568 176.094 0.065 0.000 1.041 43 V CA 1.880 64.300 62.300 0.201 0.000 1.051 43 V CB -1.282 30.610 31.823 0.115 0.000 0.704 43 V HN 0.198 nan 8.190 nan 0.000 0.472 44 K N 0.820 121.164 120.400 -0.093 0.000 2.107 44 K HA -0.256 4.061 4.320 -0.004 0.000 0.211 44 K C 0.429 176.914 176.600 -0.192 0.000 1.049 44 K CA 2.622 58.766 56.287 -0.238 0.000 0.927 44 K CB -2.766 29.352 32.500 -0.635 0.000 0.714 44 K HN 0.577 nan 8.250 nan 0.000 0.452 45 P HA -0.114 nan 4.420 nan 0.000 0.216 45 P C 1.152 178.360 177.300 -0.154 0.000 1.153 45 P CA 1.115 64.057 63.100 -0.263 0.000 0.858 45 P CB -0.178 31.272 31.700 -0.417 0.000 0.789 46 F N -0.952 119.027 119.950 0.049 0.000 2.269 46 F HA -0.065 4.460 4.527 -0.004 0.000 0.301 46 F C 2.412 178.338 175.800 0.210 0.000 1.082 46 F CA 1.206 59.302 58.000 0.161 0.000 1.360 46 F CB -0.857 38.222 39.000 0.132 0.000 1.041 46 F HN -0.025 nan 8.300 nan 0.000 0.512 47 G N -1.309 107.651 108.800 0.267 0.000 2.623 47 G HA2 -0.114 3.843 3.960 -0.004 0.000 0.214 47 G HA3 -0.114 3.843 3.960 -0.004 0.000 0.214 47 G C 1.252 176.284 174.900 0.220 0.000 1.138 47 G CA 0.371 45.609 45.100 0.231 0.000 0.794 47 G HN 0.187 nan 8.290 nan 0.000 0.535 48 D N 0.289 120.757 120.400 0.113 0.000 2.149 48 D HA -0.041 4.597 4.640 -0.004 0.000 0.206 48 D C 2.425 178.776 176.300 0.086 0.000 0.967 48 D CA 0.229 54.253 54.000 0.040 0.000 0.848 48 D CB -0.099 40.661 40.800 -0.066 0.000 0.998 48 D HN 0.163 nan 8.370 nan 0.000 0.474 49 L N 0.901 122.197 121.223 0.121 0.000 2.151 49 L HA -0.219 4.119 4.340 -0.004 0.000 0.215 49 L C 1.984 178.953 176.870 0.164 0.000 1.084 49 L CA 1.392 56.281 54.840 0.082 0.000 0.764 49 L CB -0.678 41.411 42.059 0.049 0.000 0.891 49 L HN -0.052 nan 8.230 nan 0.000 0.435 50 F N -0.592 119.499 119.950 0.234 0.000 2.039 50 F HA -0.136 4.389 4.527 -0.004 0.000 0.294 50 F C 2.265 178.132 175.800 0.112 0.000 1.130 50 F CA 1.984 60.138 58.000 0.257 0.000 1.189 50 F CB -0.986 38.220 39.000 0.343 0.000 0.983 50 F HN -0.078 nan 8.300 nan 0.000 0.471 51 V N 1.597 121.401 119.914 -0.183 0.000 2.380 51 V HA -0.320 3.797 4.120 -0.004 0.000 0.251 51 V C 2.695 178.667 176.094 -0.203 0.000 1.063 51 V CA 1.986 64.102 62.300 -0.306 0.000 1.055 51 V CB -0.994 30.743 31.823 -0.142 0.000 0.657 51 V HN 0.267 nan 8.190 nan 0.000 0.455 52 R N 0.047 120.484 120.500 -0.104 0.000 2.075 52 R HA -0.008 4.330 4.340 -0.004 0.000 0.230 52 R C 2.249 178.498 176.300 -0.084 0.000 1.140 52 R CA 1.404 57.455 56.100 -0.081 0.000 0.928 52 R CB -1.070 29.197 30.300 -0.055 0.000 0.834 52 R HN 0.435 nan 8.270 nan 0.000 0.429 53 L N 1.163 122.352 121.223 -0.057 0.000 2.651 53 L HA -0.143 4.194 4.340 -0.004 0.000 0.236 53 L C 2.148 178.995 176.870 -0.039 0.000 1.173 53 L CA 0.537 55.359 54.840 -0.029 0.000 0.843 53 L CB -0.160 41.908 42.059 0.015 0.000 0.964 53 L HN 0.175 nan 8.230 nan 0.000 0.454 54 L N -1.557 119.590 121.223 -0.126 0.000 2.347 54 L HA -0.028 4.309 4.340 -0.004 0.000 0.196 54 L C 2.459 179.267 176.870 -0.102 0.000 1.072 54 L CA 0.317 55.072 54.840 -0.142 0.000 0.817 54 L CB -0.240 41.634 42.059 -0.309 0.000 1.029 54 L HN 0.084 nan 8.230 nan 0.000 0.478 55 K N 0.261 120.593 120.400 -0.113 0.000 2.127 55 K HA -0.281 4.037 4.320 -0.004 0.000 0.208 55 K C 1.981 178.548 176.600 -0.054 0.000 1.047 55 K CA 1.841 58.081 56.287 -0.078 0.000 0.927 55 K CB -0.310 32.145 32.500 -0.076 0.000 0.716 55 K HN 0.331 nan 8.250 nan 0.000 0.450 56 M N 1.071 120.640 119.600 -0.052 0.000 2.149 56 M HA -0.179 4.299 4.480 -0.004 0.000 0.261 56 M C 1.622 177.905 176.300 -0.030 0.000 1.064 56 M CA 1.645 56.923 55.300 -0.037 0.000 1.102 56 M CB -0.117 32.463 32.600 -0.034 0.000 1.369 56 M HN 0.049 nan 8.290 nan 0.000 0.408 57 L N -0.757 120.446 121.223 -0.034 0.000 2.492 57 L HA 0.004 4.342 4.340 -0.004 0.000 0.223 57 L C 2.179 179.027 176.870 -0.036 0.000 1.132 57 L CA -0.203 54.614 54.840 -0.038 0.000 0.850 57 L CB -0.763 41.268 42.059 -0.047 0.000 0.966 57 L HN 0.059 nan 8.230 nan 0.000 0.454 58 V N -0.293 119.604 119.914 -0.029 0.000 2.469 58 V HA -0.287 3.830 4.120 -0.004 0.000 0.251 58 V C 2.442 178.540 176.094 0.007 0.000 1.064 58 V CA 1.953 64.244 62.300 -0.014 0.000 1.066 58 V CB -0.459 31.355 31.823 -0.015 0.000 0.667 58 V HN 0.399 nan 8.190 nan 0.000 0.461 59 M N -0.772 118.832 119.600 0.007 0.000 2.357 59 M HA 0.096 4.574 4.480 -0.004 0.000 0.266 59 M C -0.409 175.934 176.300 0.072 0.000 1.095 59 M CA 1.570 56.888 55.300 0.030 0.000 1.156 59 M CB -0.894 31.709 32.600 0.004 0.000 1.365 59 M HN 0.234 nan 8.290 nan 0.000 0.447 60 P HA -0.065 nan 4.420 nan 0.000 0.214 60 P C 1.781 179.135 177.300 0.089 0.000 1.162 60 P CA 1.160 64.324 63.100 0.106 0.000 0.871 60 P CB -0.002 31.730 31.700 0.055 0.000 0.783 61 I N -0.432 120.131 120.570 -0.012 0.000 2.113 61 I HA -0.284 3.884 4.170 -0.004 0.000 0.242 61 I C 2.012 178.124 176.117 -0.010 0.000 1.057 61 I CA 1.842 63.084 61.300 -0.098 0.000 1.314 61 I CB -0.342 37.540 38.000 -0.197 0.000 1.022 61 I HN -0.190 nan 8.210 nan 0.000 0.408 62 V N 0.436 120.379 119.914 0.047 0.000 2.295 62 V HA -0.314 3.803 4.120 -0.004 0.000 0.246 62 V C 2.121 178.289 176.094 0.124 0.000 1.049 62 V CA 2.139 64.490 62.300 0.084 0.000 1.024 62 V CB -0.708 31.174 31.823 0.099 0.000 0.648 62 V HN 0.428 nan 8.190 nan 0.000 0.447 63 F N 1.414 121.371 119.950 0.013 0.000 2.031 63 F HA -0.107 4.418 4.527 -0.004 0.000 0.295 63 F C 2.321 178.128 175.800 0.011 0.000 1.133 63 F CA 1.614 59.628 58.000 0.023 0.000 1.188 63 F CB -0.929 38.092 39.000 0.034 0.000 0.974 63 F HN 0.069 nan 8.300 nan 0.000 0.473 64 A N -0.413 122.353 122.820 -0.090 0.000 1.865 64 A HA -0.183 4.134 4.320 -0.004 0.000 0.217 64 A C 2.047 179.522 177.584 -0.180 0.000 1.191 64 A CA 1.926 53.839 52.037 -0.205 0.000 0.623 64 A CB -1.425 17.566 19.000 -0.016 0.000 0.826 64 A HN 0.384 nan 8.150 nan 0.000 0.444 65 S N -0.890 114.767 115.700 -0.071 0.000 3.048 65 S HA 0.267 4.735 4.470 -0.004 0.000 0.254 65 S C 0.539 175.060 174.600 -0.133 0.000 1.084 65 S CA 0.681 58.855 58.200 -0.042 0.000 1.195 65 S CB -0.144 63.109 63.200 0.089 0.000 0.870 65 S HN 0.477 nan 8.310 nan 0.000 0.483 66 L N -1.002 120.108 121.223 -0.189 0.000 4.117 66 L HA 0.281 4.618 4.340 -0.004 0.000 0.403 66 L C 1.223 177.941 176.870 -0.253 0.000 1.051 66 L CA 0.572 55.299 54.840 -0.187 0.000 1.521 66 L CB 0.030 42.025 42.059 -0.107 0.000 1.894 66 L HN 0.135 nan 8.230 nan 0.000 0.632 67 V N -1.124 118.575 119.914 -0.358 0.000 2.446 67 V HA -0.080 4.037 4.120 -0.004 0.000 0.244 67 V C 2.207 178.156 176.094 -0.241 0.000 1.039 67 V CA 1.617 63.697 62.300 -0.365 0.000 1.045 67 V CB -0.183 31.331 31.823 -0.515 0.000 0.681 67 V HN 0.199 nan 8.190 nan 0.000 0.459 68 V N 1.357 121.147 119.914 -0.207 0.000 2.343 68 V HA -0.170 3.947 4.120 -0.004 0.000 0.247 68 V C 2.606 178.624 176.094 -0.127 0.000 1.051 68 V CA 2.158 64.379 62.300 -0.132 0.000 1.036 68 V CB -1.253 30.517 31.823 -0.089 0.000 0.654 68 V HN 0.627 nan 8.190 nan 0.000 0.451 69 G N -0.458 108.250 108.800 -0.153 0.000 2.601 69 G HA2 -0.074 3.883 3.960 -0.004 0.000 0.214 69 G HA3 -0.074 3.883 3.960 -0.004 0.000 0.214 69 G C 0.897 175.713 174.900 -0.140 0.000 1.132 69 G CA 0.674 45.682 45.100 -0.153 0.000 0.761 69 G HN 0.662 nan 8.290 nan 0.000 0.550 70 A N -0.049 122.682 122.820 -0.148 0.000 3.181 70 A HA 0.779 5.097 4.320 -0.004 0.000 0.293 70 A C 1.713 179.242 177.584 -0.093 0.000 1.346 70 A CA 0.712 52.668 52.037 -0.135 0.000 1.018 70 A CB -0.101 18.798 19.000 -0.169 0.000 1.093 70 A HN 0.388 nan 8.150 nan 0.000 0.629 71 A N 0.339 123.112 122.820 -0.078 0.000 1.850 71 A HA 0.210 4.527 4.320 -0.004 0.000 0.212 71 A C 1.786 179.344 177.584 -0.043 0.000 1.208 71 A CA 1.073 53.078 52.037 -0.053 0.000 0.609 71 A CB -0.939 18.034 19.000 -0.045 0.000 0.860 71 A HN 1.171 nan 8.150 nan 0.000 0.448 72 S N -0.362 115.311 115.700 -0.044 0.000 2.553 72 S HA 0.170 4.637 4.470 -0.004 0.000 0.271 72 S C 0.088 174.668 174.600 -0.033 0.000 1.362 72 S CA -0.275 57.905 58.200 -0.033 0.000 1.010 72 S CB -0.329 62.854 63.200 -0.029 0.000 0.865 72 S HN 0.324 nan 8.310 nan 0.000 0.543 73 I N 3.689 124.244 120.570 -0.024 0.000 2.691 73 I HA 0.021 4.188 4.170 -0.004 0.000 0.288 73 I C 1.706 177.811 176.117 -0.020 0.000 1.143 73 I CA 0.289 61.577 61.300 -0.019 0.000 1.364 73 I CB -0.280 37.711 38.000 -0.016 0.000 1.435 73 I HN 0.900 nan 8.210 nan 0.000 0.551 74 S N 8.147 123.839 115.700 -0.012 0.000 2.452 74 S HA -0.208 4.260 4.470 -0.004 0.000 0.253 74 S C -0.375 174.210 174.600 -0.025 0.000 1.061 74 S CA 2.155 60.344 58.200 -0.018 0.000 1.273 74 S CB -0.900 62.329 63.200 0.047 0.000 1.191 74 S HN 0.574 nan 8.310 nan 0.000 0.430 75 P HA -0.095 nan 4.420 nan 0.000 0.209 75 P C 1.646 178.942 177.300 -0.007 0.000 1.167 75 P CA 2.136 65.234 63.100 -0.003 0.000 0.941 75 P CB -0.489 31.216 31.700 0.009 0.000 0.787 76 A N -1.052 121.767 122.820 -0.001 0.000 1.858 76 A HA -0.115 4.203 4.320 -0.004 0.000 0.215 76 A C 2.125 179.714 177.584 0.007 0.000 1.320 76 A CA 1.133 53.174 52.037 0.007 0.000 0.601 76 A CB -1.273 17.732 19.000 0.009 0.000 0.976 76 A HN -0.084 nan 8.150 nan 0.000 0.470 77 R N -0.788 119.715 120.500 0.005 0.000 2.313 77 R HA -0.261 4.076 4.340 -0.004 0.000 0.218 77 R C 2.028 178.341 176.300 0.021 0.000 1.104 77 R CA 2.105 58.210 56.100 0.009 0.000 0.793 77 R CB -1.703 28.595 30.300 -0.003 0.000 0.964 77 R HN 0.547 nan 8.270 nan 0.000 0.377 78 L N -0.410 120.809 121.223 -0.006 0.000 1.944 78 L HA -0.188 4.149 4.340 -0.004 0.000 0.218 78 L C 2.523 179.417 176.870 0.041 0.000 1.075 78 L CA 2.530 57.360 54.840 -0.017 0.000 0.767 78 L CB -1.622 40.343 42.059 -0.157 0.000 0.890 78 L HN 0.537 nan 8.230 nan 0.000 0.434 79 G N -1.091 107.709 108.800 0.000 0.000 2.476 79 G HA2 -0.406 3.552 3.960 -0.004 0.000 0.218 79 G HA3 -0.406 3.552 3.960 -0.004 0.000 0.218 79 G C 1.830 176.768 174.900 0.064 0.000 1.164 79 G CA 1.935 47.054 45.100 0.032 0.000 0.768 79 G HN 0.489 nan 8.290 nan 0.000 0.560 80 R N 0.012 120.540 120.500 0.047 0.000 2.070 80 R HA 0.157 4.494 4.340 -0.004 0.000 0.233 80 R C 2.781 179.115 176.300 0.056 0.000 1.137 80 R CA 1.653 57.781 56.100 0.047 0.000 0.945 80 R CB -1.439 28.881 30.300 0.033 0.000 0.845 80 R HN 0.428 nan 8.270 nan 0.000 0.430 81 V N 0.673 120.626 119.914 0.064 0.000 2.380 81 V HA -0.194 3.923 4.120 -0.004 0.000 0.251 81 V C 2.480 178.613 176.094 0.064 0.000 1.063 81 V CA 2.598 64.932 62.300 0.058 0.000 1.055 81 V CB -0.909 30.961 31.823 0.078 0.000 0.657 81 V HN 0.745 nan 8.190 nan 0.000 0.455 82 G N -0.757 108.146 108.800 0.172 0.000 2.484 82 G HA2 -0.220 3.738 3.960 -0.004 0.000 0.215 82 G HA3 -0.220 3.738 3.960 -0.004 0.000 0.215 82 G C 1.631 176.579 174.900 0.080 0.000 1.219 82 G CA 1.279 46.498 45.100 0.198 0.000 0.791 82 G HN 0.449 nan 8.290 nan 0.000 0.550 83 V N 0.939 120.906 119.914 0.088 0.000 2.469 83 V HA -0.210 3.908 4.120 -0.004 0.000 0.251 83 V C 2.720 178.840 176.094 0.043 0.000 1.064 83 V CA 2.255 64.595 62.300 0.067 0.000 1.066 83 V CB -0.534 31.328 31.823 0.065 0.000 0.667 83 V HN 0.354 nan 8.190 nan 0.000 0.461 84 K N -0.055 120.359 120.400 0.024 0.000 1.984 84 K HA -0.052 4.266 4.320 -0.004 0.000 0.209 84 K C 2.188 178.770 176.600 -0.029 0.000 1.046 84 K CA 1.800 58.091 56.287 0.006 0.000 0.934 84 K CB -0.288 32.205 32.500 -0.012 0.000 0.717 84 K HN 0.386 nan 8.250 nan 0.000 0.438 85 I N 1.078 121.572 120.570 -0.127 0.000 2.676 85 I HA -0.198 3.970 4.170 -0.004 0.000 0.259 85 I C 1.743 177.693 176.117 -0.278 0.000 1.194 85 I CA 0.679 61.798 61.300 -0.302 0.000 1.473 85 I CB 0.240 37.937 38.000 -0.506 0.000 1.096 85 I HN -0.048 nan 8.210 nan 0.000 0.443 86 V N 0.380 120.251 119.914 -0.072 0.000 2.358 86 V HA -0.227 3.891 4.120 -0.004 0.000 0.246 86 V C 2.385 178.545 176.094 0.110 0.000 1.047 86 V CA 1.620 63.965 62.300 0.074 0.000 1.035 86 V CB -0.149 31.729 31.823 0.092 0.000 0.658 86 V HN 0.285 nan 8.190 nan 0.000 0.452 87 V N -0.678 119.285 119.914 0.080 0.000 2.358 87 V HA -0.284 3.833 4.120 -0.004 0.000 0.246 87 V C 2.205 178.353 176.094 0.090 0.000 1.047 87 V CA 2.374 64.725 62.300 0.086 0.000 1.035 87 V CB -0.860 31.011 31.823 0.079 0.000 0.658 87 V HN 0.692 nan 8.190 nan 0.000 0.452 88 Y N -0.012 120.269 120.300 -0.031 0.000 2.128 88 Y HA -0.306 4.241 4.550 -0.004 0.000 0.284 88 Y C 2.397 178.343 175.900 0.076 0.000 1.154 88 Y CA 1.760 59.836 58.100 -0.039 0.000 1.149 88 Y CB -0.580 37.770 38.460 -0.184 0.000 0.976 88 Y HN 0.282 nan 8.280 nan 0.000 0.505 89 Y N -0.866 119.451 120.300 0.028 0.000 2.128 89 Y HA -0.301 4.246 4.550 -0.004 0.000 0.284 89 Y C 2.379 178.234 175.900 -0.075 0.000 1.154 89 Y CA 0.754 58.835 58.100 -0.031 0.000 1.149 89 Y CB -0.308 38.200 38.460 0.080 0.000 0.976 89 Y HN 0.192 nan 8.280 nan 0.000 0.505 90 L N -0.236 121.074 121.223 0.145 0.000 2.042 90 L HA -0.268 4.070 4.340 -0.004 0.000 0.210 90 L C 2.192 179.089 176.870 0.045 0.000 1.076 90 L CA 1.605 56.495 54.840 0.083 0.000 0.749 90 L CB -0.777 41.331 42.059 0.082 0.000 0.893 90 L HN 0.226 nan 8.230 nan 0.000 0.432 91 L N -1.464 119.767 121.223 0.014 0.000 1.988 91 L HA -0.202 4.135 4.340 -0.004 0.000 0.207 91 L C 2.576 179.460 176.870 0.023 0.000 1.071 91 L CA 1.795 56.652 54.840 0.028 0.000 0.744 91 L CB -1.263 40.812 42.059 0.027 0.000 0.893 91 L HN 0.423 nan 8.230 nan 0.000 0.433 92 T N -3.485 110.991 114.554 -0.130 0.000 2.778 92 T HA -0.202 4.145 4.350 -0.004 0.000 0.269 92 T C 1.975 176.694 174.700 0.031 0.000 1.050 92 T CA 1.732 63.767 62.100 -0.110 0.000 1.137 92 T CB -0.452 68.252 68.868 -0.273 0.000 0.860 92 T HN 0.175 nan 8.240 nan 0.000 0.468 93 S N 1.662 117.384 115.700 0.037 0.000 2.335 93 S HA 0.211 4.678 4.470 -0.004 0.000 0.217 93 S C 2.716 177.362 174.600 0.076 0.000 1.032 93 S CA 0.832 59.067 58.200 0.058 0.000 0.985 93 S CB -0.912 62.313 63.200 0.043 0.000 0.896 93 S HN 0.751 nan 8.310 nan 0.000 0.445 94 A N 0.821 123.685 122.820 0.073 0.000 1.917 94 A HA -0.145 4.172 4.320 -0.004 0.000 0.219 94 A C 1.930 179.561 177.584 0.078 0.000 1.182 94 A CA 1.606 53.678 52.037 0.059 0.000 0.633 94 A CB -0.994 18.032 19.000 0.043 0.000 0.819 94 A HN 0.523 nan 8.150 nan 0.000 0.448 95 F N 0.490 120.423 119.950 -0.029 0.000 2.075 95 F HA -0.121 4.403 4.527 -0.004 0.000 0.297 95 F C 2.664 178.437 175.800 -0.046 0.000 1.113 95 F CA 1.343 59.321 58.000 -0.037 0.000 1.218 95 F CB -0.174 38.797 39.000 -0.048 0.000 0.984 95 F HN 0.282 nan 8.300 nan 0.000 0.472 96 A N -0.629 122.352 122.820 0.269 0.000 1.986 96 A HA -0.226 4.092 4.320 -0.004 0.000 0.220 96 A C 2.234 179.869 177.584 0.085 0.000 1.171 96 A CA 1.859 53.983 52.037 0.145 0.000 0.640 96 A CB -1.413 17.633 19.000 0.077 0.000 0.811 96 A HN 0.403 nan 8.150 nan 0.000 0.451 97 V N -1.070 118.876 119.914 0.055 0.000 2.488 97 V HA -0.127 3.990 4.120 -0.004 0.000 0.246 97 V C 2.364 178.433 176.094 -0.042 0.000 1.046 97 V CA 2.885 65.187 62.300 0.003 0.000 1.053 97 V CB -0.801 31.023 31.823 0.002 0.000 0.679 97 V HN 0.557 nan 8.190 nan 0.000 0.458 98 T N 1.317 115.842 114.554 -0.049 0.000 2.652 98 T HA -0.183 4.164 4.350 -0.004 0.000 0.267 98 T C 1.765 176.415 174.700 -0.083 0.000 1.039 98 T CA 2.145 64.179 62.100 -0.109 0.000 1.153 98 T CB -0.444 68.290 68.868 -0.223 0.000 0.863 98 T HN 0.429 nan 8.240 nan 0.000 0.428 99 L N 1.139 122.362 121.223 -0.001 0.000 2.353 99 L HA 0.145 4.482 4.340 -0.004 0.000 0.220 99 L C 2.141 179.012 176.870 0.001 0.000 1.133 99 L CA 1.512 56.380 54.840 0.047 0.000 0.798 99 L CB -1.011 41.148 42.059 0.166 0.000 0.922 99 L HN 0.255 nan 8.230 nan 0.000 0.445 100 G N -0.568 108.211 108.800 -0.035 0.000 2.447 100 G HA2 -0.071 3.886 3.960 -0.004 0.000 0.211 100 G HA3 -0.071 3.886 3.960 -0.004 0.000 0.211 100 G C 1.524 176.313 174.900 -0.184 0.000 1.184 100 G CA 0.506 45.562 45.100 -0.073 0.000 0.813 100 G HN 0.299 nan 8.290 nan 0.000 0.540 101 I N 1.205 121.621 120.570 -0.257 0.000 2.145 101 I HA -0.237 3.930 4.170 -0.004 0.000 0.244 101 I C 2.775 178.685 176.117 -0.345 0.000 1.075 101 I CA 1.505 62.524 61.300 -0.468 0.000 1.332 101 I CB -0.640 37.189 38.000 -0.286 0.000 1.033 101 I HN 0.190 nan 8.210 nan 0.000 0.410 102 I N -0.369 120.114 120.570 -0.144 0.000 2.163 102 I HA -0.315 3.853 4.170 -0.004 0.000 0.240 102 I C 2.583 178.690 176.117 -0.016 0.000 1.081 102 I CA 1.111 62.382 61.300 -0.048 0.000 1.353 102 I CB -0.458 37.527 38.000 -0.025 0.000 1.054 102 I HN 0.151 nan 8.210 nan 0.000 0.407 103 M N 1.231 120.825 119.600 -0.011 0.000 2.255 103 M HA -0.192 4.286 4.480 -0.004 0.000 0.259 103 M C 2.025 178.379 176.300 0.089 0.000 1.071 103 M CA 1.865 57.196 55.300 0.051 0.000 1.074 103 M CB -0.575 32.065 32.600 0.066 0.000 1.384 103 M HN 0.285 nan 8.290 nan 0.000 0.415 104 A N -1.028 121.795 122.820 0.006 0.000 2.169 104 A HA -0.008 4.310 4.320 -0.004 0.000 0.212 104 A C 2.172 179.901 177.584 0.241 0.000 1.153 104 A CA 0.783 52.865 52.037 0.075 0.000 0.756 104 A CB -0.360 18.559 19.000 -0.134 0.000 0.813 104 A HN 0.529 nan 8.150 nan 0.000 0.471 105 R N -0.399 120.218 120.500 0.196 0.000 2.048 105 R HA 0.106 4.443 4.340 -0.004 0.000 0.221 105 R C 1.985 178.373 176.300 0.147 0.000 1.174 105 R CA 1.075 57.314 56.100 0.232 0.000 0.971 105 R CB -0.658 29.766 30.300 0.206 0.000 0.863 105 R HN 0.485 nan 8.270 nan 0.000 0.439 106 L N 0.172 121.447 121.223 0.087 0.000 1.941 106 L HA -0.165 4.173 4.340 -0.004 0.000 0.224 106 L C 1.377 178.271 176.870 0.040 0.000 1.081 106 L CA 1.421 56.268 54.840 0.012 0.000 0.784 106 L CB -0.785 41.239 42.059 -0.058 0.000 0.894 106 L HN 0.018 nan 8.230 nan 0.000 0.436 107 F N 0.169 120.150 119.950 0.053 0.000 2.382 107 F HA 0.139 4.664 4.527 -0.004 0.000 0.331 107 F C 0.737 176.582 175.800 0.075 0.000 1.121 107 F CA -0.663 57.368 58.000 0.053 0.000 1.183 107 F CB 0.728 39.754 39.000 0.043 0.000 1.207 107 F HN 0.027 nan 8.300 nan 0.000 0.555 108 N N 3.061 121.979 118.700 0.362 0.000 2.456 108 N HA 0.272 5.010 4.740 -0.004 0.000 0.288 108 N C -2.047 173.585 175.510 0.203 0.000 1.059 108 N CA -1.496 51.695 53.050 0.234 0.000 0.946 108 N CB 1.681 40.280 38.487 0.186 0.000 1.150 108 N HN 0.121 nan 8.380 nan 0.000 0.479 109 P HA 0.194 nan 4.420 nan 0.000 0.206 109 P C -0.690 176.876 177.300 0.442 0.000 1.212 109 P CA 0.441 63.778 63.100 0.396 0.000 0.919 109 P CB 0.182 32.125 31.700 0.406 0.000 0.755 110 G N -2.065 106.887 108.800 0.253 0.000 1.834 110 G HA2 0.338 4.296 3.960 -0.004 0.000 0.247 110 G HA3 0.338 4.296 3.960 -0.004 0.000 0.247 110 G C 0.087 174.985 174.900 -0.004 0.000 1.691 110 G CA 0.094 45.283 45.100 0.149 0.000 0.922 110 G HN 0.223 nan 8.290 nan 0.000 0.682 111 A N 1.233 124.057 122.820 0.006 0.000 2.081 111 A HA 0.596 4.913 4.320 -0.004 0.000 0.214 111 A C 1.791 179.356 177.584 -0.033 0.000 1.158 111 A CA 1.341 53.361 52.037 -0.029 0.000 0.724 111 A CB -0.196 18.797 19.000 -0.013 0.000 0.826 111 A HN 2.034 nan 8.150 nan 0.000 0.463 112 G N 0.217 109.011 108.800 -0.010 0.000 2.225 112 G HA2 0.323 4.281 3.960 -0.004 0.000 0.245 112 G HA3 0.323 4.281 3.960 -0.004 0.000 0.245 112 G C -0.014 174.870 174.900 -0.028 0.000 1.249 112 G CA -0.211 44.885 45.100 -0.008 0.000 0.919 112 G HN 0.382 nan 8.290 nan 0.000 0.486 113 I N 2.111 122.665 120.570 -0.027 0.000 2.668 113 I HA 0.097 4.265 4.170 -0.004 0.000 0.285 113 I C 1.553 177.655 176.117 -0.025 0.000 1.168 113 I CA 0.135 61.415 61.300 -0.034 0.000 1.424 113 I CB -0.003 37.980 38.000 -0.027 0.000 1.377 113 I HN 0.772 nan 8.210 nan 0.000 0.560 114 H N 6.832 125.879 119.070 -0.037 0.000 2.848 114 H HA 0.301 4.854 4.556 -0.004 0.000 0.317 114 H C 0.303 175.626 175.328 -0.008 0.000 1.046 114 H CA -0.549 55.488 56.048 -0.018 0.000 1.470 114 H CB 0.281 30.025 29.762 -0.031 0.000 1.483 114 H HN 0.585 nan 8.280 nan 0.000 0.548 115 L N 2.898 124.124 121.223 0.004 0.000 1.883 115 L HA 0.360 4.698 4.340 -0.004 0.000 0.221 115 L C 2.334 179.206 176.870 0.002 0.000 1.122 115 L CA 0.742 55.584 54.840 0.003 0.000 1.006 115 L CB -1.095 40.969 42.059 0.009 0.000 0.960 115 L HN 0.754 nan 8.230 nan 0.000 0.533 116 A N 0.926 123.750 122.820 0.006 0.000 2.858 116 A HA 0.235 4.552 4.320 -0.004 0.000 0.290 116 A C 0.206 177.791 177.584 0.001 0.000 1.683 116 A CA -0.048 51.991 52.037 0.003 0.000 1.180 116 A CB -1.889 17.114 19.000 0.005 0.000 0.954 116 A HN 0.268 nan 8.150 nan 0.000 0.592 117 V N 1.847 121.758 119.914 -0.004 0.000 2.655 117 V HA 0.470 4.587 4.120 -0.004 0.000 0.300 117 V C 1.199 177.287 176.094 -0.010 0.000 1.044 117 V CA 0.952 63.248 62.300 -0.008 0.000 1.095 117 V CB 0.391 32.208 31.823 -0.011 0.000 0.952 117 V HN 1.925 nan 8.190 nan 0.000 0.485 118 G N 3.715 112.507 108.800 -0.014 0.000 2.830 118 G HA2 0.019 3.976 3.960 -0.004 0.000 0.298 118 G HA3 0.019 3.976 3.960 -0.004 0.000 0.298 118 G C 0.466 175.351 174.900 -0.026 0.000 1.031 118 G CA -0.179 44.907 45.100 -0.023 0.000 1.179 118 G HN 1.313 nan 8.290 nan 0.000 0.527 119 G N -0.319 108.463 108.800 -0.031 0.000 2.719 119 G HA2 0.425 4.382 3.960 -0.004 0.000 0.211 119 G HA3 0.425 4.382 3.960 -0.004 0.000 0.211 119 G C 0.687 175.536 174.900 -0.086 0.000 1.140 119 G CA 0.985 46.066 45.100 -0.031 0.000 0.790 119 G HN 1.520 nan 8.290 nan 0.000 0.529 120 Q N -0.791 118.925 119.800 -0.140 0.000 2.388 120 Q HA -0.137 4.201 4.340 -0.004 0.000 0.306 120 Q C -0.938 174.741 176.000 -0.535 0.000 1.400 120 Q CA 0.049 55.677 55.803 -0.291 0.000 0.731 120 Q CB -0.984 27.600 28.738 -0.257 0.000 1.060 120 Q HN 0.451 nan 8.270 nan 0.000 0.354 121 Q N 1.293 120.856 119.800 -0.394 0.000 2.372 121 Q HA 0.463 4.800 4.340 -0.004 0.000 0.259 121 Q C -0.658 175.143 176.000 -0.332 0.000 0.993 121 Q CA -0.094 55.481 55.803 -0.380 0.000 0.854 121 Q CB 0.637 29.273 28.738 -0.171 0.000 1.231 121 Q HN 0.248 nan 8.270 nan 0.000 0.462 122 F N 0.839 120.791 119.950 0.004 0.000 2.545 122 F HA 0.047 4.572 4.527 -0.004 0.000 0.348 122 F C 0.985 176.773 175.800 -0.020 0.000 1.163 122 F CA -0.096 57.902 58.000 -0.003 0.000 1.331 122 F CB 0.498 39.504 39.000 0.010 0.000 1.138 122 F HN 0.362 nan 8.300 nan 0.000 0.602 123 Q N 3.972 123.885 119.800 0.188 0.000 2.431 123 Q HA 0.314 4.652 4.340 -0.004 0.000 0.249 123 Q C -2.267 173.778 176.000 0.077 0.000 1.025 123 Q CA -1.876 53.979 55.803 0.086 0.000 0.835 123 Q CB 0.892 29.662 28.738 0.053 0.000 1.207 123 Q HN 0.281 nan 8.270 nan 0.000 0.490 124 P HA 0.196 nan 4.420 nan 0.000 0.211 124 P C 0.346 177.664 177.300 0.030 0.000 1.833 124 P CA 0.080 63.206 63.100 0.044 0.000 0.938 124 P CB -0.141 31.589 31.700 0.050 0.000 1.808 125 H N -0.054 119.032 119.070 0.026 0.000 2.457 125 H HA -0.120 4.434 4.556 -0.004 0.000 0.297 125 H C 0.969 176.307 175.328 0.018 0.000 1.092 125 H CA 1.225 57.284 56.048 0.019 0.000 1.309 125 H CB -1.010 28.762 29.762 0.016 0.000 1.382 125 H HN 0.388 nan 8.280 nan 0.000 0.535 126 Q N 1.074 120.885 119.800 0.017 0.000 2.903 126 Q HA 0.461 4.798 4.340 -0.004 0.000 0.243 126 Q C 0.064 176.077 176.000 0.022 0.000 1.366 126 Q CA 0.267 56.080 55.803 0.016 0.000 0.898 126 Q CB -0.141 28.604 28.738 0.011 0.000 1.718 126 Q HN 0.727 nan 8.270 nan 0.000 0.557 127 A N 2.633 125.468 122.820 0.024 0.000 2.294 127 A HA 0.452 4.770 4.320 -0.004 0.000 0.316 127 A C -2.004 175.601 177.584 0.035 0.000 1.359 127 A CA -1.714 50.340 52.037 0.029 0.000 0.956 127 A CB 0.041 19.058 19.000 0.027 0.000 1.155 127 A HN 0.320 nan 8.150 nan 0.000 0.544 128 P HA 0.013 nan 4.420 nan 0.000 0.261 128 P C -2.465 174.873 177.300 0.063 0.000 1.140 128 P CA -0.031 63.110 63.100 0.069 0.000 0.757 128 P CB -0.378 31.366 31.700 0.073 0.000 0.735 129 P HA 0.023 nan 4.420 nan 0.000 0.267 129 P C 1.100 178.441 177.300 0.068 0.000 1.205 129 P CA -0.356 62.780 63.100 0.059 0.000 0.765 129 P CB 0.381 32.112 31.700 0.053 0.000 0.828 130 L N 5.038 126.289 121.223 0.047 0.000 2.103 130 L HA -0.256 4.081 4.340 -0.004 0.000 0.215 130 L C 1.918 178.814 176.870 0.044 0.000 1.080 130 L CA 2.002 56.866 54.840 0.040 0.000 0.764 130 L CB -0.711 41.368 42.059 0.034 0.000 0.890 130 L HN 0.200 nan 8.230 nan 0.000 0.435 131 V N -1.616 118.331 119.914 0.056 0.000 2.358 131 V HA -0.278 3.839 4.120 -0.004 0.000 0.246 131 V C 2.131 178.280 176.094 0.092 0.000 1.047 131 V CA 1.811 64.148 62.300 0.061 0.000 1.035 131 V CB -0.912 30.945 31.823 0.057 0.000 0.658 131 V HN 0.574 nan 8.190 nan 0.000 0.452 132 H N -1.020 118.048 119.070 -0.003 0.000 2.556 132 H HA 0.196 4.749 4.556 -0.005 0.000 0.273 132 H C 1.442 176.764 175.328 -0.010 0.000 1.030 132 H CA 0.665 56.708 56.048 -0.009 0.000 1.156 132 H CB -0.073 29.685 29.762 -0.008 0.000 1.326 132 H HN 0.439 nan 8.280 nan 0.000 0.609 133 I N -1.761 118.779 120.570 -0.049 0.000 3.443 133 I HA -0.082 4.085 4.170 -0.004 0.000 0.277 133 I C 1.749 177.822 176.117 -0.073 0.000 1.169 133 I CA 0.124 61.375 61.300 -0.081 0.000 1.419 133 I CB 0.175 38.162 38.000 -0.022 0.000 1.331 133 I HN 0.121 nan 8.210 nan 0.000 0.458 134 L N 0.840 122.044 121.223 -0.032 0.000 2.046 134 L HA -0.195 4.143 4.340 -0.004 0.000 0.208 134 L C 2.514 179.351 176.870 -0.056 0.000 1.077 134 L CA 1.542 56.368 54.840 -0.023 0.000 0.747 134 L CB -0.445 41.618 42.059 0.006 0.000 0.896 134 L HN 0.298 nan 8.230 nan 0.000 0.432 135 L N -0.500 120.689 121.223 -0.057 0.000 2.201 135 L HA -0.192 4.146 4.340 -0.004 0.000 0.212 135 L C 1.574 178.359 176.870 -0.142 0.000 1.105 135 L CA 0.853 55.649 54.840 -0.074 0.000 0.775 135 L CB -0.355 41.698 42.059 -0.010 0.000 0.913 135 L HN 0.219 nan 8.230 nan 0.000 0.440 136 D N -0.304 119.979 120.400 -0.195 0.000 2.378 136 D HA -0.082 4.556 4.640 -0.004 0.000 0.227 136 D C 1.896 178.093 176.300 -0.171 0.000 1.012 136 D CA 0.567 54.427 54.000 -0.233 0.000 0.905 136 D CB 0.104 40.718 40.800 -0.311 0.000 0.895 136 D HN 0.256 nan 8.370 nan 0.000 0.532 137 I N -0.329 120.142 120.570 -0.165 0.000 3.059 137 I HA -0.054 4.113 4.170 -0.004 0.000 0.270 137 I C 0.027 175.948 176.117 -0.327 0.000 1.238 137 I CA 0.288 61.491 61.300 -0.162 0.000 1.478 137 I CB 0.619 38.559 38.000 -0.101 0.000 1.097 137 I HN -0.235 nan 8.210 nan 0.000 0.455 138 V N 3.377 123.052 119.914 -0.399 0.000 2.385 138 V HA 0.226 4.343 4.120 -0.004 0.000 0.269 138 V C -2.034 173.903 176.094 -0.261 0.000 1.043 138 V CA -1.573 60.403 62.300 -0.540 0.000 0.906 138 V CB 0.318 31.861 31.823 -0.466 0.000 0.995 138 V HN 0.061 nan 8.190 nan 0.000 0.467 139 P HA 0.205 nan 4.420 nan 0.000 0.270 139 P C 0.594 177.840 177.300 -0.091 0.000 1.223 139 P CA 0.042 63.081 63.100 -0.102 0.000 0.785 139 P CB 0.654 32.312 31.700 -0.070 0.000 0.923 140 T N -0.798 113.707 114.554 -0.082 0.000 2.971 140 T HA 0.105 4.452 4.350 -0.004 0.000 0.252 140 T C 0.272 174.936 174.700 -0.060 0.000 1.022 140 T CA 0.369 62.436 62.100 -0.056 0.000 0.980 140 T CB -0.230 68.615 68.868 -0.039 0.000 1.044 140 T HN 0.429 nan 8.240 nan 0.000 0.501 141 N N 1.129 119.773 118.700 -0.094 0.000 2.701 141 N HA 0.153 4.890 4.740 -0.004 0.000 0.258 141 N C -2.583 172.801 175.510 -0.210 0.000 1.262 141 N CA -1.345 51.650 53.050 -0.091 0.000 0.780 141 N CB 2.104 40.582 38.487 -0.015 0.000 1.380 141 N HN -0.101 nan 8.380 nan 0.000 0.548 142 P HA -0.139 nan 4.420 nan 0.000 0.217 142 P C 1.261 178.180 177.300 -0.635 0.000 1.148 142 P CA 1.182 63.794 63.100 -0.813 0.000 0.834 142 P CB 0.083 30.613 31.700 -1.950 0.000 0.783 143 F N 0.276 120.017 119.950 -0.348 0.000 2.146 143 F HA -0.009 4.516 4.527 -0.004 0.000 0.298 143 F C 2.802 178.489 175.800 -0.187 0.000 1.096 143 F CA 1.404 59.254 58.000 -0.251 0.000 1.275 143 F CB -1.301 37.587 39.000 -0.186 0.000 1.008 143 F HN -0.038 nan 8.300 nan 0.000 0.480 144 G N -0.244 108.576 108.800 0.032 0.000 2.434 144 G HA2 -0.184 3.774 3.960 -0.004 0.000 0.214 144 G HA3 -0.184 3.774 3.960 -0.004 0.000 0.214 144 G C 1.906 176.776 174.900 -0.049 0.000 1.202 144 G CA 0.791 45.885 45.100 -0.011 0.000 0.788 144 G HN 0.405 nan 8.290 nan 0.000 0.539 145 A N 0.523 123.294 122.820 -0.081 0.000 1.927 145 A HA -0.086 4.232 4.320 -0.004 0.000 0.220 145 A C 2.371 179.905 177.584 -0.083 0.000 1.185 145 A CA 1.612 53.601 52.037 -0.080 0.000 0.639 145 A CB -0.516 18.427 19.000 -0.096 0.000 0.820 145 A HN 0.345 nan 8.150 nan 0.000 0.451 146 L N -1.039 120.104 121.223 -0.134 0.000 2.017 146 L HA -0.097 4.240 4.340 -0.004 0.000 0.208 146 L C 2.075 178.892 176.870 -0.089 0.000 1.073 146 L CA 1.963 56.709 54.840 -0.156 0.000 0.745 146 L CB -0.899 40.996 42.059 -0.274 0.000 0.894 146 L HN 0.424 nan 8.230 nan 0.000 0.432 147 A N -0.747 122.038 122.820 -0.058 0.000 3.163 147 A HA 0.227 4.544 4.320 -0.004 0.000 0.283 147 A C 0.598 178.162 177.584 -0.033 0.000 1.412 147 A CA -0.156 51.858 52.037 -0.038 0.000 1.053 147 A CB -0.658 18.328 19.000 -0.024 0.000 1.082 147 A HN 0.615 nan 8.150 nan 0.000 0.639 148 N N -1.030 117.649 118.700 -0.034 0.000 2.127 148 N HA 0.315 5.052 4.740 -0.004 0.000 0.229 148 N C 0.723 176.218 175.510 -0.025 0.000 1.374 148 N CA 0.299 53.331 53.050 -0.029 0.000 0.763 148 N CB 0.971 39.440 38.487 -0.029 0.000 1.269 148 N HN 0.657 nan 8.380 nan 0.000 0.516 149 G N 1.613 110.399 108.800 -0.024 0.000 2.509 149 G HA2 -0.345 3.612 3.960 -0.004 0.000 0.256 149 G HA3 -0.345 3.612 3.960 -0.004 0.000 0.256 149 G C -0.515 174.377 174.900 -0.012 0.000 1.152 149 G CA 0.101 45.191 45.100 -0.016 0.000 0.951 149 G HN 0.341 nan 8.290 nan 0.000 0.559 150 Q N -1.968 117.828 119.800 -0.007 0.000 2.461 150 Q HA -0.155 4.183 4.340 -0.004 0.000 0.298 150 Q C 1.012 177.024 176.000 0.020 0.000 1.399 150 Q CA 0.566 56.367 55.803 -0.003 0.000 0.778 150 Q CB -1.832 26.895 28.738 -0.018 0.000 1.130 150 Q HN 1.370 nan 8.270 nan 0.000 0.407 151 V N -0.046 119.885 119.914 0.029 0.000 3.515 151 V HA -0.093 4.024 4.120 -0.004 0.000 0.298 151 V C 1.304 177.445 176.094 0.078 0.000 1.206 151 V CA 1.143 63.477 62.300 0.056 0.000 1.253 151 V CB -0.524 31.327 31.823 0.047 0.000 1.035 151 V HN 0.367 nan 8.190 nan 0.000 0.428 152 L N -0.361 120.907 121.223 0.075 0.000 2.675 152 L HA 0.260 4.597 4.340 -0.004 0.000 0.178 152 L C -0.627 176.325 176.870 0.138 0.000 1.135 152 L CA 0.855 55.756 54.840 0.101 0.000 0.855 152 L CB -0.353 41.744 42.059 0.064 0.000 1.235 152 L HN 0.170 nan 8.230 nan 0.000 0.499 153 P HA -0.173 nan 4.420 nan 0.000 0.216 153 P C 1.603 179.023 177.300 0.201 0.000 1.150 153 P CA 1.668 64.827 63.100 0.098 0.000 0.837 153 P CB -0.030 31.672 31.700 0.003 0.000 0.786 154 T N -1.390 113.254 114.554 0.150 0.000 2.720 154 T HA -0.150 4.197 4.350 -0.004 0.000 0.268 154 T C 1.696 176.567 174.700 0.285 0.000 1.037 154 T CA 0.998 63.214 62.100 0.192 0.000 1.144 154 T CB -0.802 68.135 68.868 0.115 0.000 0.864 154 T HN -0.076 nan 8.240 nan 0.000 0.444 155 I N -0.054 120.663 120.570 0.245 0.000 2.099 155 I HA -0.124 4.043 4.170 -0.004 0.000 0.239 155 I C 2.031 178.286 176.117 0.230 0.000 1.066 155 I CA 1.717 63.160 61.300 0.238 0.000 1.324 155 I CB -0.429 37.728 38.000 0.261 0.000 1.037 155 I HN 0.301 nan 8.210 nan 0.000 0.401 156 F N 1.149 121.172 119.950 0.121 0.000 2.027 156 F HA -0.393 4.131 4.527 -0.004 0.000 0.297 156 F C 2.337 178.183 175.800 0.076 0.000 1.129 156 F CA 2.170 60.216 58.000 0.077 0.000 1.195 156 F CB -0.657 38.394 39.000 0.085 0.000 0.960 156 F HN 0.028 nan 8.300 nan 0.000 0.485 157 F N 0.814 120.949 119.950 0.309 0.000 2.192 157 F HA -0.188 4.336 4.527 -0.004 0.000 0.301 157 F C 2.211 178.046 175.800 0.058 0.000 1.079 157 F CA 1.332 59.430 58.000 0.164 0.000 1.303 157 F CB -0.972 38.109 39.000 0.135 0.000 1.024 157 F HN 0.080 nan 8.300 nan 0.000 0.494 158 A N 0.955 123.835 122.820 0.100 0.000 1.851 158 A HA -0.181 4.136 4.320 -0.004 0.000 0.216 158 A C 2.317 179.723 177.584 -0.297 0.000 1.195 158 A CA 2.095 54.082 52.037 -0.083 0.000 0.622 158 A CB -1.229 17.767 19.000 -0.008 0.000 0.831 158 A HN 0.458 nan 8.150 nan 0.000 0.444 159 I N 0.117 120.511 120.570 -0.293 0.000 2.091 159 I HA -0.292 3.875 4.170 -0.004 0.000 0.239 159 I C 2.306 178.159 176.117 -0.441 0.000 1.061 159 I CA 1.366 62.431 61.300 -0.391 0.000 1.317 159 I CB -0.509 37.197 38.000 -0.490 0.000 1.031 159 I HN 0.275 nan 8.210 nan 0.000 0.401 160 I N 0.408 120.659 120.570 -0.531 0.000 2.248 160 I HA -0.286 3.881 4.170 -0.004 0.000 0.248 160 I C 2.585 178.419 176.117 -0.473 0.000 1.107 160 I CA 1.693 62.695 61.300 -0.497 0.000 1.373 160 I CB -1.020 36.697 38.000 -0.471 0.000 1.055 160 I HN 0.316 nan 8.210 nan 0.000 0.418 161 L N 1.083 121.947 121.223 -0.599 0.000 2.109 161 L HA 0.038 4.375 4.340 -0.004 0.000 0.207 161 L C 2.365 179.033 176.870 -0.337 0.000 1.086 161 L CA 1.883 56.406 54.840 -0.530 0.000 0.760 161 L CB -1.008 40.663 42.059 -0.647 0.000 0.910 161 L HN 0.152 nan 8.230 nan 0.000 0.437 162 G N 0.010 108.615 108.800 -0.326 0.000 2.484 162 G HA2 -0.255 3.703 3.960 -0.004 0.000 0.215 162 G HA3 -0.255 3.703 3.960 -0.004 0.000 0.215 162 G C 1.634 176.416 174.900 -0.196 0.000 1.219 162 G CA 1.112 46.066 45.100 -0.243 0.000 0.791 162 G HN 0.414 nan 8.290 nan 0.000 0.550 163 I N 1.682 122.116 120.570 -0.226 0.000 2.181 163 I HA -0.336 3.832 4.170 -0.004 0.000 0.247 163 I C 3.297 179.291 176.117 -0.206 0.000 1.081 163 I CA 1.279 62.462 61.300 -0.194 0.000 1.340 163 I CB -0.246 37.587 38.000 -0.278 0.000 1.036 163 I HN 0.275 nan 8.210 nan 0.000 0.417 164 A N 0.652 123.315 122.820 -0.261 0.000 1.940 164 A HA -0.186 4.132 4.320 -0.004 0.000 0.219 164 A C 2.273 179.799 177.584 -0.097 0.000 1.176 164 A CA 1.596 53.496 52.037 -0.229 0.000 0.631 164 A CB -0.739 18.128 19.000 -0.221 0.000 0.814 164 A HN 0.434 nan 8.150 nan 0.000 0.446 165 I N -1.372 119.144 120.570 -0.089 0.000 2.353 165 I HA -0.174 3.994 4.170 -0.004 0.000 0.248 165 I C 2.641 178.764 176.117 0.010 0.000 1.119 165 I CA 1.490 62.766 61.300 -0.041 0.000 1.417 165 I CB -0.492 37.467 38.000 -0.068 0.000 1.078 165 I HN 0.248 nan 8.210 nan 0.000 0.421 166 T N 0.040 114.611 114.554 0.028 0.000 2.684 166 T HA -0.231 4.116 4.350 -0.004 0.000 0.267 166 T C 1.801 176.578 174.700 0.128 0.000 1.036 166 T CA 1.760 63.900 62.100 0.067 0.000 1.148 166 T CB -0.285 68.626 68.868 0.071 0.000 0.863 166 T HN 0.199 nan 8.240 nan 0.000 0.436 167 Y N 1.036 121.300 120.300 -0.060 0.000 2.207 167 Y HA -0.002 4.546 4.550 -0.004 0.000 0.287 167 Y C 2.220 178.097 175.900 -0.037 0.000 1.156 167 Y CA 0.453 58.525 58.100 -0.047 0.000 1.182 167 Y CB -0.635 37.796 38.460 -0.049 0.000 0.979 167 Y HN 0.196 nan 8.280 nan 0.000 0.521 168 L N -0.919 120.384 121.223 0.133 0.000 2.191 168 L HA -0.259 4.079 4.340 -0.004 0.000 0.212 168 L C 2.098 178.986 176.870 0.029 0.000 1.103 168 L CA 1.168 56.045 54.840 0.062 0.000 0.769 168 L CB -0.330 41.752 42.059 0.038 0.000 0.908 168 L HN 0.333 nan 8.230 nan 0.000 0.438 169 M N -1.144 118.468 119.600 0.020 0.000 2.447 169 M HA -0.054 4.424 4.480 -0.004 0.000 0.264 169 M C 0.430 176.721 176.300 -0.016 0.000 1.095 169 M CA 0.716 56.016 55.300 -0.001 0.000 1.125 169 M CB -0.048 32.548 32.600 -0.006 0.000 1.389 169 M HN 0.153 nan 8.290 nan 0.000 0.459 170 N N 1.581 120.264 118.700 -0.029 0.000 2.575 170 N HA 0.186 4.923 4.740 -0.004 0.000 0.275 170 N C -0.272 175.213 175.510 -0.041 0.000 1.202 170 N CA 0.101 53.117 53.050 -0.055 0.000 0.945 170 N CB 0.033 38.451 38.487 -0.115 0.000 1.247 170 N HN 0.232 nan 8.380 nan 0.000 0.510 171 S N -0.577 115.113 115.700 -0.017 0.000 2.638 171 S HA 0.583 5.050 4.470 -0.004 0.000 0.298 171 S C 1.322 175.917 174.600 -0.009 0.000 1.111 171 S CA -0.202 57.994 58.200 -0.007 0.000 1.027 171 S CB 0.726 63.930 63.200 0.008 0.000 1.064 171 S HN 0.224 nan 8.310 nan 0.000 0.525 172 E N 1.270 121.466 120.200 -0.006 0.000 2.047 172 E HA -0.095 4.253 4.350 -0.004 0.000 0.191 172 E C 0.975 177.573 176.600 -0.002 0.000 0.987 172 E CA 1.147 57.544 56.400 -0.005 0.000 0.799 172 E CB -0.637 29.061 29.700 -0.003 0.000 0.752 172 E HN 0.702 nan 8.360 nan 0.000 0.449 173 N N 0.445 119.146 118.700 0.001 0.000 2.395 173 N HA -0.007 4.731 4.740 -0.004 0.000 0.246 173 N C 0.728 176.239 175.510 0.002 0.000 1.246 173 N CA 0.664 53.716 53.050 0.003 0.000 0.879 173 N CB 1.482 39.973 38.487 0.007 0.000 1.098 173 N HN 0.348 nan 8.380 nan 0.000 0.444 174 E N 2.920 123.121 120.200 0.002 0.000 2.190 174 E HA -0.020 4.328 4.350 -0.004 0.000 0.191 174 E C 1.474 178.077 176.600 0.004 0.000 0.978 174 E CA 1.158 57.559 56.400 0.002 0.000 0.839 174 E CB -0.054 29.647 29.700 0.001 0.000 0.787 174 E HN 0.622 nan 8.360 nan 0.000 0.473 175 K N 0.586 120.989 120.400 0.006 0.000 1.978 175 K HA -0.197 4.120 4.320 -0.004 0.000 0.214 175 K C 2.220 178.826 176.600 0.010 0.000 1.049 175 K CA 2.051 58.343 56.287 0.008 0.000 0.939 175 K CB -0.826 31.680 32.500 0.009 0.000 0.721 175 K HN 0.143 nan 8.250 nan 0.000 0.441 176 V N 0.943 120.863 119.914 0.011 0.000 2.222 176 V HA -0.375 3.743 4.120 -0.004 0.000 0.252 176 V C 2.605 178.706 176.094 0.012 0.000 1.060 176 V CA 3.919 66.227 62.300 0.013 0.000 1.027 176 V CB -1.783 30.049 31.823 0.014 0.000 0.644 176 V HN 0.561 nan 8.190 nan 0.000 0.448 177 R N 0.017 120.522 120.500 0.008 0.000 2.241 177 R HA 0.061 4.399 4.340 -0.004 0.000 0.224 177 R C 2.413 178.716 176.300 0.005 0.000 1.101 177 R CA 2.720 58.823 56.100 0.005 0.000 0.995 177 R CB -1.606 28.694 30.300 -0.000 0.000 0.870 177 R HN 1.002 nan 8.270 nan 0.000 0.463 178 K N 0.625 121.028 120.400 0.006 0.000 2.005 178 K HA -0.050 4.267 4.320 -0.004 0.000 0.206 178 K C 2.582 179.188 176.600 0.010 0.000 1.044 178 K CA 1.761 58.052 56.287 0.007 0.000 0.942 178 K CB -1.089 31.415 32.500 0.007 0.000 0.727 178 K HN 0.747 nan 8.250 nan 0.000 0.439 179 S N 0.771 116.478 115.700 0.013 0.000 2.400 179 S HA 0.015 4.482 4.470 -0.004 0.000 0.232 179 S C 2.463 177.074 174.600 0.017 0.000 1.025 179 S CA 1.313 59.524 58.200 0.017 0.000 0.993 179 S CB -0.543 62.669 63.200 0.020 0.000 0.808 179 S HN 0.799 nan 8.310 nan 0.000 0.478 180 A N 1.603 124.431 122.820 0.014 0.000 1.972 180 A HA 0.100 4.417 4.320 -0.004 0.000 0.219 180 A C 2.258 179.844 177.584 0.004 0.000 1.169 180 A CA 1.851 53.894 52.037 0.010 0.000 0.635 180 A CB -1.318 17.687 19.000 0.009 0.000 0.810 180 A HN 0.817 nan 8.150 nan 0.000 0.446 181 E N -0.932 119.271 120.200 0.004 0.000 2.442 181 E HA 0.073 4.420 4.350 -0.004 0.000 0.195 181 E C 1.796 178.399 176.600 0.005 0.000 1.030 181 E CA 1.161 57.561 56.400 0.001 0.000 0.869 181 E CB -1.128 28.572 29.700 -0.000 0.000 0.857 181 E HN 0.656 nan 8.360 nan 0.000 0.505 182 T N 0.783 115.344 114.554 0.011 0.000 2.698 182 T HA -0.053 4.295 4.350 -0.004 0.000 0.260 182 T C 2.090 176.802 174.700 0.020 0.000 1.044 182 T CA 1.323 63.432 62.100 0.016 0.000 1.149 182 T CB -0.430 68.449 68.868 0.020 0.000 0.864 182 T HN 0.375 nan 8.240 nan 0.000 0.419 183 L N 1.538 122.776 121.223 0.024 0.000 1.956 183 L HA -0.040 4.297 4.340 -0.004 0.000 0.216 183 L C 2.308 179.186 176.870 0.014 0.000 1.073 183 L CA 1.733 56.591 54.840 0.031 0.000 0.762 183 L CB -1.198 40.883 42.059 0.037 0.000 0.889 183 L HN 0.184 nan 8.230 nan 0.000 0.433 184 L N -0.152 121.068 121.223 -0.004 0.000 2.197 184 L HA -0.273 4.065 4.340 -0.004 0.000 0.215 184 L C 1.827 178.686 176.870 -0.017 0.000 1.095 184 L CA 2.209 57.034 54.840 -0.025 0.000 0.764 184 L CB -0.782 41.257 42.059 -0.033 0.000 0.897 184 L HN 0.486 nan 8.230 nan 0.000 0.436 185 D N -0.880 119.519 120.400 -0.002 0.000 2.110 185 D HA -0.050 4.587 4.640 -0.004 0.000 0.202 185 D C 2.265 178.574 176.300 0.014 0.000 0.975 185 D CA 1.329 55.332 54.000 0.005 0.000 0.839 185 D CB -0.199 40.606 40.800 0.009 0.000 0.996 185 D HN 0.425 nan 8.370 nan 0.000 0.464 186 A N 0.751 123.585 122.820 0.022 0.000 1.892 186 A HA -0.222 4.095 4.320 -0.004 0.000 0.218 186 A C 2.261 179.868 177.584 0.039 0.000 1.188 186 A CA 1.206 53.264 52.037 0.035 0.000 0.631 186 A CB -0.990 18.038 19.000 0.045 0.000 0.822 186 A HN 0.260 nan 8.150 nan 0.000 0.447 187 I N -0.390 120.197 120.570 0.028 0.000 2.248 187 I HA -0.289 3.879 4.170 -0.004 0.000 0.248 187 I C 2.364 178.482 176.117 0.000 0.000 1.107 187 I CA 1.910 63.217 61.300 0.010 0.000 1.373 187 I CB -0.431 37.532 38.000 -0.062 0.000 1.055 187 I HN 0.477 nan 8.210 nan 0.000 0.418 188 N N 0.980 119.681 118.700 0.002 0.000 2.331 188 N HA -0.088 4.649 4.740 -0.004 0.000 0.180 188 N C 1.834 177.371 175.510 0.046 0.000 1.019 188 N CA 1.258 54.319 53.050 0.019 0.000 0.881 188 N CB -0.190 38.305 38.487 0.012 0.000 0.972 188 N HN 0.271 nan 8.380 nan 0.000 0.435 189 G N 0.867 109.692 108.800 0.041 0.000 2.459 189 G HA2 -0.248 3.709 3.960 -0.004 0.000 0.217 189 G HA3 -0.248 3.709 3.960 -0.004 0.000 0.217 189 G C 1.373 176.309 174.900 0.060 0.000 1.183 189 G CA 0.998 46.127 45.100 0.048 0.000 0.776 189 G HN 0.326 nan 8.290 nan 0.000 0.552 190 L N 1.630 122.888 121.223 0.059 0.000 1.971 190 L HA -0.000 4.337 4.340 -0.004 0.000 0.215 190 L C 3.215 180.120 176.870 0.060 0.000 1.072 190 L CA 2.423 57.300 54.840 0.062 0.000 0.758 190 L CB -1.176 40.931 42.059 0.080 0.000 0.889 190 L HN 0.298 nan 8.230 nan 0.000 0.433 191 A N -1.131 121.728 122.820 0.064 0.000 1.915 191 A HA -0.323 3.995 4.320 -0.004 0.000 0.220 191 A C 2.237 179.947 177.584 0.211 0.000 1.198 191 A CA 2.263 54.359 52.037 0.098 0.000 0.647 191 A CB -0.796 18.275 19.000 0.117 0.000 0.825 191 A HN 0.563 nan 8.150 nan 0.000 0.456 192 E N -0.613 119.705 120.200 0.196 0.000 2.046 192 E HA 0.069 4.416 4.350 -0.004 0.000 0.190 192 E C 2.303 179.020 176.600 0.195 0.000 0.982 192 E CA 1.332 57.872 56.400 0.233 0.000 0.800 192 E CB -0.556 29.219 29.700 0.126 0.000 0.756 192 E HN 0.517 nan 8.360 nan 0.000 0.449 193 A N 0.056 122.942 122.820 0.111 0.000 1.940 193 A HA -0.233 4.085 4.320 -0.004 0.000 0.219 193 A C 2.120 179.741 177.584 0.062 0.000 1.176 193 A CA 1.920 54.003 52.037 0.077 0.000 0.631 193 A CB -0.498 18.534 19.000 0.053 0.000 0.814 193 A HN 0.234 nan 8.150 nan 0.000 0.446 194 M N -1.569 118.043 119.600 0.020 0.000 2.117 194 M HA -0.078 4.400 4.480 -0.004 0.000 0.262 194 M C 1.893 178.141 176.300 -0.085 0.000 1.065 194 M CA 1.467 56.721 55.300 -0.076 0.000 1.114 194 M CB -0.924 31.564 32.600 -0.187 0.000 1.361 194 M HN 0.548 nan 8.290 nan 0.000 0.408 195 Y N -0.203 120.124 120.300 0.046 0.000 2.200 195 Y HA -0.192 4.356 4.550 -0.004 0.000 0.290 195 Y C 2.590 178.509 175.900 0.032 0.000 1.137 195 Y CA 2.004 60.128 58.100 0.039 0.000 1.163 195 Y CB -1.182 37.298 38.460 0.034 0.000 0.988 195 Y HN 0.310 nan 8.280 nan 0.000 0.518 196 K N 1.164 121.681 120.400 0.194 0.000 2.173 196 K HA -0.204 4.113 4.320 -0.004 0.000 0.207 196 K C 1.615 178.267 176.600 0.086 0.000 1.046 196 K CA 2.269 58.624 56.287 0.113 0.000 0.929 196 K CB -1.575 30.976 32.500 0.085 0.000 0.720 196 K HN 0.582 nan 8.250 nan 0.000 0.453 197 I N -0.645 119.969 120.570 0.073 0.000 2.277 197 I HA -0.111 4.056 4.170 -0.004 0.000 0.243 197 I C 2.337 178.497 176.117 0.070 0.000 1.094 197 I CA 0.709 62.042 61.300 0.055 0.000 1.393 197 I CB -0.521 37.497 38.000 0.030 0.000 1.078 197 I HN 0.136 nan 8.210 nan 0.000 0.417 198 V N 2.358 122.314 119.914 0.071 0.000 2.527 198 V HA -0.300 3.817 4.120 -0.004 0.000 0.255 198 V C 2.227 178.389 176.094 0.114 0.000 1.081 198 V CA 2.157 64.513 62.300 0.093 0.000 1.092 198 V CB -0.693 31.185 31.823 0.093 0.000 0.673 198 V HN 0.458 nan 8.190 nan 0.000 0.470 199 N N 0.373 119.136 118.700 0.104 0.000 2.132 199 N HA -0.054 4.683 4.740 -0.004 0.000 0.187 199 N C 1.841 177.398 175.510 0.079 0.000 1.038 199 N CA 1.563 54.664 53.050 0.085 0.000 0.846 199 N CB -0.884 37.645 38.487 0.070 0.000 1.012 199 N HN 0.534 nan 8.380 nan 0.000 0.429 200 G N 1.621 110.465 108.800 0.074 0.000 2.491 200 G HA2 -0.208 3.749 3.960 -0.004 0.000 0.218 200 G HA3 -0.208 3.749 3.960 -0.004 0.000 0.218 200 G C 1.433 176.389 174.900 0.093 0.000 1.180 200 G CA 1.451 46.592 45.100 0.069 0.000 0.774 200 G HN 0.383 nan 8.290 nan 0.000 0.562 201 V N -0.255 119.725 119.914 0.110 0.000 3.570 201 V HA 0.521 4.638 4.120 -0.004 0.000 0.293 201 V C 1.880 178.116 176.094 0.237 0.000 1.237 201 V CA 1.771 64.169 62.300 0.163 0.000 1.226 201 V CB -0.023 31.885 31.823 0.140 0.000 1.028 201 V HN 0.322 nan 8.190 nan 0.000 0.430 202 M N -1.487 118.212 119.600 0.165 0.000 2.491 202 M HA 0.228 4.706 4.480 -0.004 0.000 0.259 202 M C 1.787 178.116 176.300 0.049 0.000 1.163 202 M CA 0.914 56.295 55.300 0.136 0.000 1.109 202 M CB 0.901 33.566 32.600 0.108 0.000 1.353 202 M HN 0.470 nan 8.290 nan 0.000 0.500 203 Q N -1.250 118.593 119.800 0.071 0.000 2.369 203 Q HA -0.106 4.231 4.340 -0.004 0.000 0.206 203 Q C 1.469 177.493 176.000 0.041 0.000 0.963 203 Q CA 1.369 57.196 55.803 0.041 0.000 0.894 203 Q CB -0.299 28.474 28.738 0.058 0.000 0.965 203 Q HN 0.650 nan 8.270 nan 0.000 0.475 204 Y N -0.740 119.522 120.300 -0.063 0.000 2.475 204 Y HA 0.162 4.709 4.550 -0.004 0.000 0.289 204 Y C 1.822 177.566 175.900 -0.260 0.000 1.121 204 Y CA 0.623 58.672 58.100 -0.084 0.000 1.257 204 Y CB -0.335 38.135 38.460 0.016 0.000 1.026 204 Y HN 0.137 nan 8.280 nan 0.000 0.555 205 A N 1.793 124.353 122.820 -0.434 0.000 1.985 205 A HA -0.263 4.054 4.320 -0.004 0.000 0.223 205 A C -0.095 177.162 177.584 -0.546 0.000 1.189 205 A CA 2.102 53.618 52.037 -0.869 0.000 0.658 205 A CB -2.074 16.566 19.000 -0.600 0.000 0.820 205 A HN 0.463 nan 8.150 nan 0.000 0.464 206 P HA -0.202 nan 4.420 nan 0.000 0.210 206 P C 1.649 178.810 177.300 -0.232 0.000 1.185 206 P CA 1.541 64.508 63.100 -0.221 0.000 0.924 206 P CB -0.350 31.244 31.700 -0.178 0.000 0.786 207 I N -0.372 119.983 120.570 -0.358 0.000 2.151 207 I HA -0.217 3.950 4.170 -0.004 0.000 0.243 207 I C 2.743 178.705 176.117 -0.258 0.000 1.080 207 I CA 2.259 63.362 61.300 -0.329 0.000 1.339 207 I CB -1.964 35.682 38.000 -0.590 0.000 1.039 207 I HN 0.073 nan 8.210 nan 0.000 0.409 208 G N 1.091 109.594 108.800 -0.494 0.000 2.459 208 G HA2 -0.184 3.773 3.960 -0.004 0.000 0.217 208 G HA3 -0.184 3.773 3.960 -0.004 0.000 0.217 208 G C 1.778 176.667 174.900 -0.019 0.000 1.183 208 G CA 1.080 46.080 45.100 -0.166 0.000 0.776 208 G HN 0.247 nan 8.290 nan 0.000 0.552 209 V N 0.866 120.716 119.914 -0.106 0.000 2.252 209 V HA -0.217 3.901 4.120 -0.004 0.000 0.249 209 V C 2.361 178.506 176.094 0.084 0.000 1.056 209 V CA 2.205 64.526 62.300 0.035 0.000 1.022 209 V CB -0.835 30.994 31.823 0.010 0.000 0.641 209 V HN 0.450 nan 8.190 nan 0.000 0.445 210 F N 1.620 121.546 119.950 -0.040 0.000 2.065 210 F HA -0.255 4.269 4.527 -0.004 0.000 0.298 210 F C 2.293 178.116 175.800 0.038 0.000 1.112 210 F CA 2.121 60.114 58.000 -0.011 0.000 1.212 210 F CB -0.503 38.464 39.000 -0.056 0.000 0.975 210 F HN 0.075 nan 8.300 nan 0.000 0.476 211 A N 0.672 123.264 122.820 -0.380 0.000 1.972 211 A HA -0.112 4.206 4.320 -0.004 0.000 0.219 211 A C 2.304 179.797 177.584 -0.152 0.000 1.169 211 A CA 1.577 53.376 52.037 -0.397 0.000 0.635 211 A CB -1.140 17.845 19.000 -0.025 0.000 0.810 211 A HN 0.608 nan 8.150 nan 0.000 0.446 212 L N -0.508 120.702 121.223 -0.022 0.000 2.027 212 L HA -0.174 4.163 4.340 -0.004 0.000 0.206 212 L C 2.284 179.199 176.870 0.075 0.000 1.074 212 L CA 1.578 56.459 54.840 0.068 0.000 0.745 212 L CB -0.309 41.833 42.059 0.138 0.000 0.898 212 L HN 0.545 nan 8.230 nan 0.000 0.433 213 I N -1.571 119.022 120.570 0.039 0.000 2.500 213 I HA -0.034 4.134 4.170 -0.004 0.000 0.252 213 I C 2.626 178.746 176.117 0.005 0.000 1.142 213 I CA 1.087 62.416 61.300 0.048 0.000 1.451 213 I CB -1.140 36.919 38.000 0.099 0.000 1.093 213 I HN 0.031 nan 8.210 nan 0.000 0.430 214 A N 0.707 123.465 122.820 -0.103 0.000 1.971 214 A HA -0.300 4.017 4.320 -0.004 0.000 0.222 214 A C 2.393 179.989 177.584 0.019 0.000 1.182 214 A CA 2.383 54.341 52.037 -0.131 0.000 0.649 214 A CB -1.203 17.545 19.000 -0.419 0.000 0.818 214 A HN 0.618 nan 8.150 nan 0.000 0.458 215 Y N 0.130 120.389 120.300 -0.068 0.000 2.138 215 Y HA -0.064 4.484 4.550 -0.004 0.000 0.286 215 Y C 2.405 178.309 175.900 0.006 0.000 1.115 215 Y CA 1.560 59.653 58.100 -0.012 0.000 1.105 215 Y CB -0.719 37.730 38.460 -0.019 0.000 1.004 215 Y HN 0.022 nan 8.280 nan 0.000 0.494 216 V N 0.561 120.407 119.914 -0.114 0.000 2.277 216 V HA -0.426 3.692 4.120 -0.004 0.000 0.253 216 V C 2.391 178.376 176.094 -0.182 0.000 1.067 216 V CA 2.614 64.791 62.300 -0.205 0.000 1.047 216 V CB -0.791 30.994 31.823 -0.063 0.000 0.649 216 V HN 0.466 nan 8.190 nan 0.000 0.447 217 M N -0.049 119.501 119.600 -0.084 0.000 2.081 217 M HA 0.090 4.568 4.480 -0.004 0.000 0.261 217 M C 1.996 178.269 176.300 -0.045 0.000 1.075 217 M CA 1.995 57.269 55.300 -0.042 0.000 1.133 217 M CB -0.797 31.810 32.600 0.012 0.000 1.330 217 M HN 0.266 nan 8.290 nan 0.000 0.414 218 A N -0.939 121.864 122.820 -0.028 0.000 2.277 218 A HA -0.094 4.223 4.320 -0.004 0.000 0.208 218 A C 1.908 179.472 177.584 -0.035 0.000 1.202 218 A CA 1.297 53.341 52.037 0.012 0.000 0.762 218 A CB -0.593 18.447 19.000 0.067 0.000 0.770 218 A HN 0.537 nan 8.150 nan 0.000 0.487 219 E N -2.169 117.938 120.200 -0.156 0.000 2.444 219 E HA 0.088 4.436 4.350 -0.004 0.000 0.209 219 E C 1.137 177.633 176.600 -0.172 0.000 0.806 219 E CA 0.397 56.664 56.400 -0.221 0.000 1.240 219 E CB 0.443 29.791 29.700 -0.586 0.000 1.238 219 E HN 0.737 nan 8.360 nan 0.000 0.591 220 Q N -1.342 118.364 119.800 -0.157 0.000 2.101 220 Q HA 0.186 4.523 4.340 -0.004 0.000 0.236 220 Q C 1.482 177.460 176.000 -0.037 0.000 0.772 220 Q CA 0.406 56.151 55.803 -0.097 0.000 0.944 220 Q CB 1.424 30.088 28.738 -0.124 0.000 1.171 220 Q HN 0.149 nan 8.270 nan 0.000 0.463 221 G N 1.013 109.788 108.800 -0.041 0.000 2.394 221 G HA2 -0.145 3.813 3.960 -0.004 0.000 0.215 221 G HA3 -0.145 3.813 3.960 -0.004 0.000 0.215 221 G C 1.241 176.151 174.900 0.015 0.000 1.165 221 G CA 0.902 45.991 45.100 -0.019 0.000 0.784 221 G HN 0.327 nan 8.290 nan 0.000 0.535 222 V N 0.175 120.108 119.914 0.031 0.000 3.306 222 V HA 0.279 4.396 4.120 -0.004 0.000 0.309 222 V C 1.076 177.217 176.094 0.079 0.000 1.173 222 V CA 2.132 64.461 62.300 0.047 0.000 1.324 222 V CB -1.198 30.646 31.823 0.036 0.000 1.036 222 V HN 0.587 nan 8.190 nan 0.000 0.420 223 H N -1.453 117.585 119.070 -0.053 0.000 3.749 223 H HA 0.242 4.795 4.556 -0.004 0.000 0.266 223 H C 0.173 175.463 175.328 -0.064 0.000 1.123 223 H CA 0.100 56.112 56.048 -0.059 0.000 1.189 223 H CB 0.653 30.377 29.762 -0.064 0.000 1.731 223 H HN 0.172 nan 8.280 nan 0.000 0.863 224 V N 2.219 122.089 119.914 -0.074 0.000 1.956 224 V HA 0.462 4.580 4.120 -0.004 0.000 0.248 224 V C 0.732 176.734 176.094 -0.154 0.000 1.615 224 V CA 0.905 63.131 62.300 -0.123 0.000 1.558 224 V CB -0.724 31.030 31.823 -0.115 0.000 1.529 224 V HN 0.393 nan 8.190 nan 0.000 0.505 225 V N 1.174 120.954 119.914 -0.224 0.000 3.105 225 V HA 1.033 5.150 4.120 -0.004 0.000 0.311 225 V C 0.801 176.788 176.094 -0.178 0.000 1.287 225 V CA -0.363 61.828 62.300 -0.180 0.000 1.066 225 V CB 1.253 32.975 31.823 -0.169 0.000 1.105 225 V HN 0.792 nan 8.190 nan 0.000 0.462 226 G N -0.140 108.591 108.800 -0.115 0.000 2.564 226 G HA2 -0.192 3.766 3.960 -0.004 0.000 0.273 226 G HA3 -0.192 3.766 3.960 -0.004 0.000 0.273 226 G C 0.543 175.419 174.900 -0.040 0.000 1.242 226 G CA 0.622 45.680 45.100 -0.069 0.000 0.951 226 G HN 1.240 nan 8.290 nan 0.000 0.564 227 E N 0.260 120.470 120.200 0.017 0.000 2.204 227 E HA -0.012 4.335 4.350 -0.004 0.000 0.194 227 E C 2.873 179.472 176.600 -0.002 0.000 0.989 227 E CA 1.143 57.589 56.400 0.077 0.000 0.824 227 E CB -0.048 29.782 29.700 0.217 0.000 0.756 227 E HN 0.528 nan 8.360 nan 0.000 0.477 228 L N 0.777 121.956 121.223 -0.072 0.000 2.012 228 L HA -0.193 4.144 4.340 -0.004 0.000 0.210 228 L C 2.678 179.424 176.870 -0.207 0.000 1.073 228 L CA 1.330 56.047 54.840 -0.204 0.000 0.748 228 L CB -0.750 41.216 42.059 -0.155 0.000 0.891 228 L HN 0.061 nan 8.230 nan 0.000 0.431 229 A N 0.035 122.755 122.820 -0.167 0.000 1.948 229 A HA -0.279 4.038 4.320 -0.004 0.000 0.220 229 A C 2.360 179.821 177.584 -0.205 0.000 1.177 229 A CA 2.155 54.088 52.037 -0.173 0.000 0.636 229 A CB -0.455 18.464 19.000 -0.136 0.000 0.815 229 A HN 0.327 nan 8.150 nan 0.000 0.449 230 K N -0.728 119.570 120.400 -0.171 0.000 2.026 230 K HA -0.064 4.254 4.320 -0.004 0.000 0.208 230 K C 1.917 178.372 176.600 -0.240 0.000 1.048 230 K CA 1.515 57.681 56.287 -0.201 0.000 0.929 230 K CB -0.308 32.153 32.500 -0.066 0.000 0.713 230 K HN 0.301 nan 8.250 nan 0.000 0.439 231 V N 0.892 120.681 119.914 -0.208 0.000 2.261 231 V HA -0.280 3.837 4.120 -0.004 0.000 0.246 231 V C 2.074 178.037 176.094 -0.217 0.000 1.047 231 V CA 2.284 64.443 62.300 -0.235 0.000 1.015 231 V CB -0.881 30.660 31.823 -0.470 0.000 0.642 231 V HN 0.420 nan 8.190 nan 0.000 0.446 232 T N 0.880 115.287 114.554 -0.244 0.000 2.594 232 T HA -0.343 4.004 4.350 -0.004 0.000 0.266 232 T C 2.012 176.574 174.700 -0.231 0.000 1.070 232 T CA 2.344 64.298 62.100 -0.244 0.000 1.166 232 T CB -0.623 68.073 68.868 -0.287 0.000 0.862 232 T HN 0.616 nan 8.240 nan 0.000 0.436 233 A N 1.173 123.827 122.820 -0.276 0.000 1.930 233 A HA 0.238 4.555 4.320 -0.004 0.000 0.217 233 A C 2.638 180.064 177.584 -0.264 0.000 1.175 233 A CA 1.775 53.630 52.037 -0.302 0.000 0.627 233 A CB -1.030 17.673 19.000 -0.496 0.000 0.815 233 A HN 0.550 nan 8.150 nan 0.000 0.443 234 A N -0.547 122.113 122.820 -0.267 0.000 2.019 234 A HA 0.065 4.382 4.320 -0.004 0.000 0.219 234 A C 2.114 179.736 177.584 0.064 0.000 1.164 234 A CA 1.805 53.813 52.037 -0.048 0.000 0.644 234 A CB -0.586 18.418 19.000 0.007 0.000 0.805 234 A HN 0.405 nan 8.150 nan 0.000 0.449 235 V N -2.298 117.651 119.914 0.058 0.000 2.374 235 V HA -0.127 3.990 4.120 -0.004 0.000 0.241 235 V C 2.236 178.478 176.094 0.246 0.000 1.034 235 V CA 1.213 63.602 62.300 0.150 0.000 1.037 235 V CB -1.178 30.760 31.823 0.191 0.000 0.682 235 V HN 0.529 nan 8.190 nan 0.000 0.463 236 Y N 0.328 120.645 120.300 0.028 0.000 2.207 236 Y HA -0.169 4.378 4.550 -0.004 0.000 0.287 236 Y C 2.604 178.535 175.900 0.052 0.000 1.156 236 Y CA 1.273 59.401 58.100 0.047 0.000 1.182 236 Y CB -0.633 37.850 38.460 0.039 0.000 0.979 236 Y HN 0.070 nan 8.280 nan 0.000 0.521 237 V N -0.587 119.459 119.914 0.220 0.000 2.358 237 V HA -0.148 3.970 4.120 -0.004 0.000 0.246 237 V C 2.307 178.477 176.094 0.126 0.000 1.047 237 V CA 2.128 64.538 62.300 0.184 0.000 1.035 237 V CB -0.967 31.036 31.823 0.301 0.000 0.658 237 V HN 0.449 nan 8.190 nan 0.000 0.452 238 G N -0.307 108.570 108.800 0.128 0.000 2.422 238 G HA2 -0.215 3.743 3.960 -0.004 0.000 0.218 238 G HA3 -0.215 3.743 3.960 -0.004 0.000 0.218 238 G C 1.531 176.454 174.900 0.037 0.000 1.146 238 G CA 1.251 46.399 45.100 0.080 0.000 0.769 238 G HN 0.528 nan 8.290 nan 0.000 0.547 239 L N 0.105 121.350 121.223 0.038 0.000 2.005 239 L HA -0.066 4.272 4.340 -0.004 0.000 0.207 239 L C 3.202 180.036 176.870 -0.060 0.000 1.072 239 L CA 1.551 56.380 54.840 -0.018 0.000 0.744 239 L CB -0.993 41.028 42.059 -0.064 0.000 0.895 239 L HN 0.138 nan 8.230 nan 0.000 0.433 240 T N 0.442 114.968 114.554 -0.048 0.000 2.653 240 T HA -0.236 4.111 4.350 -0.004 0.000 0.268 240 T C 1.901 176.543 174.700 -0.096 0.000 1.035 240 T CA 1.627 63.686 62.100 -0.069 0.000 1.154 240 T CB -0.310 68.545 68.868 -0.022 0.000 0.862 240 T HN 0.045 nan 8.240 nan 0.000 0.441 241 L N 0.908 122.094 121.223 -0.061 0.000 2.042 241 L HA -0.107 4.231 4.340 -0.004 0.000 0.210 241 L C 2.685 179.461 176.870 -0.156 0.000 1.076 241 L CA 1.594 56.388 54.840 -0.076 0.000 0.749 241 L CB -0.809 41.238 42.059 -0.020 0.000 0.893 241 L HN 0.219 nan 8.230 nan 0.000 0.432 242 Q N -0.056 119.637 119.800 -0.178 0.000 2.152 242 Q HA -0.213 4.124 4.340 -0.004 0.000 0.206 242 Q C 2.006 177.654 176.000 -0.587 0.000 0.985 242 Q CA 1.940 57.539 55.803 -0.340 0.000 0.863 242 Q CB -0.294 28.291 28.738 -0.256 0.000 0.904 242 Q HN 0.589 nan 8.270 nan 0.000 0.422 243 I N -0.597 119.745 120.570 -0.379 0.000 2.163 243 I HA -0.258 3.910 4.170 -0.004 0.000 0.240 243 I C 2.106 178.002 176.117 -0.369 0.000 1.081 243 I CA 1.002 62.115 61.300 -0.311 0.000 1.353 243 I CB -0.480 37.402 38.000 -0.197 0.000 1.054 243 I HN 0.157 nan 8.210 nan 0.000 0.407 244 L N 0.330 121.347 121.223 -0.344 0.000 1.961 244 L HA -0.176 4.161 4.340 -0.004 0.000 0.209 244 L C 2.581 179.395 176.870 -0.094 0.000 1.075 244 L CA 1.388 56.091 54.840 -0.227 0.000 0.749 244 L CB -0.869 41.109 42.059 -0.135 0.000 0.890 244 L HN 0.214 nan 8.230 nan 0.000 0.433 245 L N -0.394 120.755 121.223 -0.123 0.000 2.189 245 L HA -0.206 4.131 4.340 -0.004 0.000 0.214 245 L C 2.050 178.777 176.870 -0.239 0.000 1.097 245 L CA 1.000 55.767 54.840 -0.120 0.000 0.764 245 L CB -0.316 41.688 42.059 -0.092 0.000 0.900 245 L HN 0.236 nan 8.230 nan 0.000 0.436 246 V N -3.202 116.495 119.914 -0.361 0.000 2.948 246 V HA -0.091 4.027 4.120 -0.004 0.000 0.234 246 V C 1.776 177.750 176.094 -0.198 0.000 1.205 246 V CA 0.234 62.254 62.300 -0.466 0.000 1.234 246 V CB -0.535 30.828 31.823 -0.767 0.000 1.020 246 V HN 0.169 nan 8.190 nan 0.000 0.491 247 Y N -0.696 119.560 120.300 -0.073 0.000 2.243 247 Y HA -0.004 4.543 4.550 -0.004 0.000 0.293 247 Y C 2.438 178.393 175.900 0.092 0.000 1.124 247 Y CA 1.417 59.512 58.100 -0.009 0.000 1.159 247 Y CB -0.248 38.214 38.460 0.003 0.000 1.008 247 Y HN 0.095 nan 8.280 nan 0.000 0.527 248 F N -0.716 119.243 119.950 0.015 0.000 2.186 248 F HA -0.227 4.298 4.527 -0.004 0.000 0.299 248 F C 2.220 177.998 175.800 -0.037 0.000 1.090 248 F CA 0.363 58.344 58.000 -0.032 0.000 1.307 248 F CB -0.156 38.834 39.000 -0.018 0.000 1.019 248 F HN -0.117 nan 8.300 nan 0.000 0.489 249 V N -0.241 119.769 119.914 0.161 0.000 2.427 249 V HA -0.276 3.842 4.120 -0.004 0.000 0.248 249 V C 1.955 178.093 176.094 0.074 0.000 1.051 249 V CA 1.346 63.689 62.300 0.072 0.000 1.048 249 V CB -0.309 31.523 31.823 0.015 0.000 0.666 249 V HN 0.215 nan 8.190 nan 0.000 0.456 250 L N -1.246 120.033 121.223 0.093 0.000 2.341 250 L HA 0.098 4.436 4.340 -0.004 0.000 0.214 250 L C 1.937 178.896 176.870 0.148 0.000 1.115 250 L CA 1.341 56.272 54.840 0.151 0.000 0.820 250 L CB -0.314 41.839 42.059 0.156 0.000 0.944 250 L HN 0.205 nan 8.230 nan 0.000 0.452 251 L N -1.126 120.122 121.223 0.040 0.000 2.007 251 L HA -0.217 4.121 4.340 -0.004 0.000 0.205 251 L C 2.505 179.376 176.870 0.001 0.000 1.073 251 L CA 1.129 55.933 54.840 -0.060 0.000 0.744 251 L CB -0.458 41.463 42.059 -0.231 0.000 0.898 251 L HN 0.104 nan 8.230 nan 0.000 0.435 252 K N 0.578 120.960 120.400 -0.031 0.000 2.015 252 K HA -0.278 4.040 4.320 -0.004 0.000 0.220 252 K C 2.007 178.606 176.600 -0.001 0.000 1.055 252 K CA 2.023 58.286 56.287 -0.040 0.000 0.951 252 K CB -0.507 31.962 32.500 -0.052 0.000 0.725 252 K HN 0.238 nan 8.250 nan 0.000 0.449 253 I N -0.290 120.296 120.570 0.027 0.000 2.530 253 I HA -0.269 3.898 4.170 -0.004 0.000 0.257 253 I C 0.724 176.796 176.117 -0.074 0.000 1.179 253 I CA 1.533 62.824 61.300 -0.015 0.000 1.440 253 I CB 0.068 38.069 38.000 0.002 0.000 1.087 253 I HN 0.306 nan 8.210 nan 0.000 0.440 254 Y N 1.257 121.537 120.300 -0.033 0.000 2.532 254 Y HA 0.303 4.850 4.550 -0.004 0.000 0.283 254 Y C 1.413 177.290 175.900 -0.039 0.000 1.181 254 Y CA 0.412 58.493 58.100 -0.033 0.000 1.256 254 Y CB 0.081 38.518 38.460 -0.037 0.000 1.112 254 Y HN 0.330 nan 8.280 nan 0.000 0.521 255 G N 1.677 110.502 108.800 0.041 0.000 2.298 255 G HA2 -0.311 3.647 3.960 -0.004 0.000 0.287 255 G HA3 -0.311 3.647 3.960 -0.004 0.000 0.287 255 G C -0.364 174.546 174.900 0.016 0.000 1.075 255 G CA 0.407 45.514 45.100 0.011 0.000 0.960 255 G HN 0.394 nan 8.290 nan 0.000 0.502 256 I N -0.577 119.991 120.570 -0.003 0.000 2.619 256 I HA 0.424 4.592 4.170 -0.004 0.000 0.292 256 I C -0.819 175.255 176.117 -0.071 0.000 1.100 256 I CA -1.115 60.173 61.300 -0.020 0.000 1.043 256 I CB 1.782 39.774 38.000 -0.013 0.000 1.239 256 I HN 0.033 nan 8.210 nan 0.000 0.420 257 D N 8.841 129.209 120.400 -0.053 0.000 2.348 257 D HA 0.198 4.835 4.640 -0.004 0.000 0.259 257 D C -1.749 174.486 176.300 -0.109 0.000 1.296 257 D CA -1.927 52.020 54.000 -0.088 0.000 0.931 257 D CB 1.219 41.982 40.800 -0.061 0.000 1.067 257 D HN 0.226 nan 8.370 nan 0.000 0.503 258 P HA -0.175 nan 4.420 nan 0.000 0.217 258 P C 1.149 178.362 177.300 -0.145 0.000 1.148 258 P CA 1.239 64.101 63.100 -0.397 0.000 0.834 258 P CB 0.048 31.088 31.700 -1.099 0.000 0.783 259 I N -4.205 116.284 120.570 -0.134 0.000 2.876 259 I HA 0.018 4.186 4.170 -0.004 0.000 0.264 259 I C 2.421 178.503 176.117 -0.058 0.000 1.204 259 I CA 1.511 62.788 61.300 -0.040 0.000 1.485 259 I CB -1.472 36.497 38.000 -0.050 0.000 1.103 259 I HN -0.178 nan 8.210 nan 0.000 0.446 260 S N 1.211 116.848 115.700 -0.104 0.000 2.414 260 S HA -0.035 4.432 4.470 -0.004 0.000 0.227 260 S C 1.872 176.252 174.600 -0.367 0.000 1.022 260 S CA 0.798 58.824 58.200 -0.290 0.000 0.958 260 S CB -0.555 62.508 63.200 -0.227 0.000 0.797 260 S HN 0.352 nan 8.310 nan 0.000 0.493 261 F N 2.025 121.849 119.950 -0.210 0.000 2.009 261 F HA 0.128 4.652 4.527 -0.004 0.000 0.293 261 F C 1.448 177.241 175.800 -0.012 0.000 1.156 261 F CA 1.147 59.101 58.000 -0.077 0.000 1.168 261 F CB -0.189 38.817 39.000 0.010 0.000 0.981 261 F HN 0.104 nan 8.300 nan 0.000 0.475 262 I N 1.037 121.779 120.570 0.286 0.000 3.518 262 I HA -0.058 4.109 4.170 -0.004 0.000 0.305 262 I C 1.330 177.488 176.117 0.069 0.000 1.204 262 I CA 1.000 62.414 61.300 0.189 0.000 1.211 262 I CB -1.255 36.963 38.000 0.364 0.000 1.018 262 I HN 0.363 nan 8.210 nan 0.000 0.500 263 K N -0.785 119.611 120.400 -0.006 0.000 2.548 263 K HA 0.129 4.446 4.320 -0.004 0.000 0.209 263 K C 1.480 178.119 176.600 0.065 0.000 1.420 263 K CA -0.082 56.208 56.287 0.005 0.000 0.985 263 K CB -0.255 32.231 32.500 -0.024 0.000 1.249 263 K HN 0.373 nan 8.250 nan 0.000 0.557 264 H N -0.242 118.784 119.070 -0.072 0.000 2.306 264 H HA 0.225 4.779 4.556 -0.004 0.000 0.307 264 H C 2.225 177.469 175.328 -0.139 0.000 1.061 264 H CA 0.733 56.717 56.048 -0.106 0.000 1.359 264 H CB 0.441 30.121 29.762 -0.136 0.000 1.407 264 H HN 0.446 nan 8.280 nan 0.000 0.517 265 A N 1.119 123.889 122.820 -0.084 0.000 2.250 265 A HA 0.015 4.333 4.320 -0.004 0.000 0.208 265 A C 2.092 179.630 177.584 -0.076 0.000 1.254 265 A CA 0.951 52.892 52.037 -0.160 0.000 0.858 265 A CB -0.852 17.918 19.000 -0.383 0.000 0.820 265 A HN 0.511 nan 8.150 nan 0.000 0.484 266 K N -0.395 119.989 120.400 -0.027 0.000 2.439 266 K HA -0.074 4.244 4.320 -0.004 0.000 0.197 266 K C 1.360 177.962 176.600 0.004 0.000 1.041 266 K CA 1.440 57.723 56.287 -0.006 0.000 0.970 266 K CB -0.456 32.049 32.500 0.008 0.000 0.773 266 K HN 0.518 nan 8.250 nan 0.000 0.479 267 D N 0.050 120.454 120.400 0.006 0.000 2.107 267 D HA 0.100 4.738 4.640 -0.004 0.000 0.204 267 D C 2.366 178.697 176.300 0.051 0.000 0.978 267 D CA 1.616 55.632 54.000 0.027 0.000 0.852 267 D CB -0.280 40.535 40.800 0.024 0.000 1.008 267 D HN 0.361 nan 8.370 nan 0.000 0.458 268 A N 0.648 123.490 122.820 0.037 0.000 1.902 268 A HA -0.196 4.121 4.320 -0.004 0.000 0.217 268 A C 2.238 179.859 177.584 0.063 0.000 1.181 268 A CA 1.899 53.969 52.037 0.054 0.000 0.623 268 A CB -0.741 18.273 19.000 0.024 0.000 0.818 268 A HN 0.224 nan 8.150 nan 0.000 0.443 269 M N -0.517 119.103 119.600 0.033 0.000 2.124 269 M HA -0.238 4.239 4.480 -0.004 0.000 0.253 269 M C 1.919 178.267 176.300 0.079 0.000 1.077 269 M CA 1.950 57.273 55.300 0.039 0.000 1.085 269 M CB -0.339 32.264 32.600 0.005 0.000 1.320 269 M HN 0.452 nan 8.290 nan 0.000 0.404 270 L N -2.118 119.150 121.223 0.076 0.000 2.068 270 L HA -0.159 4.178 4.340 -0.004 0.000 0.204 270 L C 2.319 179.316 176.870 0.212 0.000 1.076 270 L CA 1.553 56.463 54.840 0.117 0.000 0.753 270 L CB -1.114 40.984 42.059 0.066 0.000 0.910 270 L HN 0.311 nan 8.230 nan 0.000 0.439 271 T N 0.499 115.171 114.554 0.198 0.000 2.624 271 T HA -0.273 4.074 4.350 -0.004 0.000 0.268 271 T C 1.876 176.699 174.700 0.204 0.000 1.041 271 T CA 1.757 64.015 62.100 0.263 0.000 1.159 271 T CB -0.300 68.721 68.868 0.256 0.000 0.863 271 T HN 0.461 nan 8.240 nan 0.000 0.434 272 A N -0.085 122.827 122.820 0.154 0.000 2.131 272 A HA -0.044 4.274 4.320 -0.004 0.000 0.220 272 A C 1.922 179.594 177.584 0.145 0.000 1.158 272 A CA 1.299 53.405 52.037 0.116 0.000 0.665 272 A CB -0.782 18.274 19.000 0.094 0.000 0.795 272 A HN 0.581 nan 8.150 nan 0.000 0.460 273 F N -0.224 119.755 119.950 0.048 0.000 2.374 273 F HA 0.024 4.549 4.527 -0.004 0.000 0.291 273 F C 1.948 177.788 175.800 0.066 0.000 1.084 273 F CA 1.367 59.393 58.000 0.043 0.000 1.413 273 F CB 0.349 39.370 39.000 0.034 0.000 1.099 273 F HN 0.030 nan 8.300 nan 0.000 0.534 274 V N -1.809 118.246 119.914 0.235 0.000 2.599 274 V HA -0.098 4.019 4.120 -0.004 0.000 0.245 274 V C 2.073 178.223 176.094 0.092 0.000 1.046 274 V CA 1.878 64.276 62.300 0.163 0.000 1.065 274 V CB -1.215 30.762 31.823 0.258 0.000 0.703 274 V HN 0.277 nan 8.190 nan 0.000 0.464 275 T N -0.839 113.774 114.554 0.098 0.000 2.851 275 T HA -0.019 4.329 4.350 -0.004 0.000 0.262 275 T C 1.468 176.158 174.700 -0.018 0.000 1.043 275 T CA 1.444 63.562 62.100 0.030 0.000 1.140 275 T CB -0.145 68.714 68.868 -0.015 0.000 0.872 275 T HN 0.420 nan 8.240 nan 0.000 0.446 276 R N -0.302 120.177 120.500 -0.034 0.000 3.785 276 R HA -0.127 4.210 4.340 -0.004 0.000 0.476 276 R C 0.345 176.616 176.300 -0.049 0.000 0.905 276 R CA 0.885 56.946 56.100 -0.066 0.000 1.412 276 R CB -1.860 28.389 30.300 -0.084 0.000 2.077 276 R HN 0.335 nan 8.270 nan 0.000 0.504 277 S N 0.155 115.831 115.700 -0.040 0.000 2.399 277 S HA 0.302 4.769 4.470 -0.004 0.000 0.301 277 S C 1.212 175.794 174.600 -0.029 0.000 1.093 277 S CA 0.241 58.416 58.200 -0.041 0.000 1.077 277 S CB 1.536 64.704 63.200 -0.053 0.000 0.980 277 S HN 0.324 nan 8.310 nan 0.000 0.494 278 S N 4.322 120.007 115.700 -0.024 0.000 2.348 278 S HA -0.125 4.342 4.470 -0.004 0.000 0.221 278 S C 2.144 176.737 174.600 -0.013 0.000 1.033 278 S CA 2.158 60.350 58.200 -0.013 0.000 1.010 278 S CB -0.884 62.305 63.200 -0.018 0.000 0.891 278 S HN 0.773 nan 8.310 nan 0.000 0.442 279 S N 0.305 115.994 115.700 -0.019 0.000 2.400 279 S HA 0.000 4.468 4.470 -0.004 0.000 0.232 279 S C 1.888 176.473 174.600 -0.024 0.000 1.025 279 S CA 1.595 59.786 58.200 -0.015 0.000 0.993 279 S CB -1.114 62.076 63.200 -0.016 0.000 0.808 279 S HN 0.763 nan 8.310 nan 0.000 0.478 280 G N -0.577 108.198 108.800 -0.042 0.000 2.572 280 G HA2 -0.024 3.933 3.960 -0.004 0.000 0.216 280 G HA3 -0.024 3.933 3.960 -0.004 0.000 0.216 280 G C 1.327 176.183 174.900 -0.074 0.000 1.133 280 G CA 1.072 46.129 45.100 -0.070 0.000 0.791 280 G HN 0.552 nan 8.290 nan 0.000 0.538 281 T N 1.064 115.595 114.554 -0.037 0.000 3.054 281 T HA 0.023 4.371 4.350 -0.004 0.000 0.259 281 T C 2.197 176.906 174.700 0.014 0.000 1.092 281 T CA 0.034 62.130 62.100 -0.008 0.000 1.121 281 T CB -0.042 68.837 68.868 0.019 0.000 0.912 281 T HN 0.075 nan 8.240 nan 0.000 0.489 282 L N 2.076 123.308 121.223 0.014 0.000 2.082 282 L HA -0.169 4.169 4.340 -0.004 0.000 0.223 282 L C -0.900 175.998 176.870 0.046 0.000 1.086 282 L CA 2.331 57.191 54.840 0.034 0.000 0.793 282 L CB -1.364 40.713 42.059 0.030 0.000 0.896 282 L HN 0.199 nan 8.230 nan 0.000 0.441 283 P HA -0.109 nan 4.420 nan 0.000 0.215 283 P C 2.033 179.374 177.300 0.067 0.000 1.157 283 P CA 1.465 64.575 63.100 0.016 0.000 0.863 283 P CB -0.005 31.688 31.700 -0.011 0.000 0.787 284 V N -0.291 119.666 119.914 0.071 0.000 2.244 284 V HA -0.241 3.877 4.120 -0.004 0.000 0.244 284 V C 2.317 178.454 176.094 0.071 0.000 1.042 284 V CA 2.670 65.023 62.300 0.088 0.000 1.006 284 V CB -2.123 29.762 31.823 0.104 0.000 0.641 284 V HN 0.150 nan 8.190 nan 0.000 0.446 285 T N -0.055 114.535 114.554 0.059 0.000 2.680 285 T HA -0.338 4.009 4.350 -0.004 0.000 0.268 285 T C 1.828 176.563 174.700 0.058 0.000 1.033 285 T CA 2.304 64.431 62.100 0.044 0.000 1.152 285 T CB -0.359 68.539 68.868 0.051 0.000 0.859 285 T HN 0.315 nan 8.240 nan 0.000 0.452 286 M N 0.079 119.755 119.600 0.126 0.000 2.288 286 M HA 0.035 4.512 4.480 -0.004 0.000 0.266 286 M C 2.495 178.896 176.300 0.169 0.000 1.072 286 M CA 0.978 56.415 55.300 0.227 0.000 1.132 286 M CB -0.116 32.704 32.600 0.366 0.000 1.386 286 M HN 0.176 nan 8.290 nan 0.000 0.432 287 R N 0.037 120.660 120.500 0.205 0.000 2.092 287 R HA -0.089 4.248 4.340 -0.004 0.000 0.231 287 R C 1.757 177.997 176.300 -0.101 0.000 1.119 287 R CA 1.380 57.557 56.100 0.128 0.000 0.970 287 R CB -0.623 29.788 30.300 0.184 0.000 0.864 287 R HN 0.136 nan 8.270 nan 0.000 0.440 288 V N 1.521 121.387 119.914 -0.079 0.000 2.233 288 V HA -0.264 3.853 4.120 -0.004 0.000 0.247 288 V C 2.604 178.565 176.094 -0.222 0.000 1.050 288 V CA 2.138 64.356 62.300 -0.136 0.000 1.010 288 V CB -0.805 30.958 31.823 -0.099 0.000 0.637 288 V HN 0.636 nan 8.190 nan 0.000 0.444 289 A N -0.750 121.920 122.820 -0.249 0.000 1.892 289 A HA -0.305 4.012 4.320 -0.004 0.000 0.218 289 A C 2.370 179.618 177.584 -0.560 0.000 1.188 289 A CA 2.346 54.180 52.037 -0.338 0.000 0.631 289 A CB -0.604 18.226 19.000 -0.284 0.000 0.822 289 A HN 0.476 nan 8.150 nan 0.000 0.447 290 K N -0.233 119.664 120.400 -0.838 0.000 2.026 290 K HA -0.151 4.166 4.320 -0.004 0.000 0.208 290 K C 1.486 177.838 176.600 -0.413 0.000 1.048 290 K CA 1.697 57.529 56.287 -0.758 0.000 0.929 290 K CB -0.218 31.815 32.500 -0.778 0.000 0.713 290 K HN 0.596 nan 8.250 nan 0.000 0.439 291 E N 0.658 120.652 120.200 -0.345 0.000 2.405 291 E HA -0.060 4.287 4.350 -0.004 0.000 0.194 291 E C 0.949 177.343 176.600 -0.344 0.000 1.149 291 E CA 0.113 56.338 56.400 -0.292 0.000 0.933 291 E CB -0.016 29.537 29.700 -0.245 0.000 1.028 291 E HN 0.369 nan 8.360 nan 0.000 0.487 292 M N -3.708 115.727 119.600 -0.275 0.000 2.540 292 M HA 0.314 4.792 4.480 -0.004 0.000 0.404 292 M C 0.610 176.855 176.300 -0.093 0.000 1.133 292 M CA 0.272 55.464 55.300 -0.181 0.000 0.900 292 M CB 0.537 33.120 32.600 -0.028 0.000 1.540 292 M HN 0.005 nan 8.290 nan 0.000 0.539 293 G N 3.026 111.747 108.800 -0.132 0.000 2.314 293 G HA2 -0.207 3.750 3.960 -0.004 0.000 0.292 293 G HA3 -0.207 3.750 3.960 -0.004 0.000 0.292 293 G C -0.308 174.570 174.900 -0.037 0.000 1.059 293 G CA 0.424 45.476 45.100 -0.079 0.000 0.982 293 G HN 0.691 nan 8.290 nan 0.000 0.505 294 I N 0.496 121.035 120.570 -0.051 0.000 2.566 294 I HA 0.436 4.603 4.170 -0.004 0.000 0.303 294 I C 1.218 177.425 176.117 0.149 0.000 0.983 294 I CA -0.525 60.802 61.300 0.046 0.000 1.235 294 I CB 1.698 39.739 38.000 0.068 0.000 1.386 294 I HN 0.348 nan 8.210 nan 0.000 0.494 295 S N 2.328 118.118 115.700 0.151 0.000 2.531 295 S HA 0.041 4.508 4.470 -0.004 0.000 0.279 295 S C 0.667 175.383 174.600 0.193 0.000 1.305 295 S CA -0.505 57.781 58.200 0.144 0.000 1.058 295 S CB 0.854 64.094 63.200 0.066 0.000 0.899 295 S HN 0.768 nan 8.310 nan 0.000 0.493 296 E N 2.468 122.755 120.200 0.145 0.000 2.526 296 E HA -0.054 4.294 4.350 -0.004 0.000 0.206 296 E C 1.366 177.812 176.600 -0.256 0.000 1.139 296 E CA 0.678 56.950 56.400 -0.213 0.000 0.913 296 E CB -0.760 28.891 29.700 -0.082 0.000 0.868 296 E HN 0.956 nan 8.360 nan 0.000 0.564 297 G N -0.407 108.333 108.800 -0.100 0.000 2.939 297 G HA2 0.041 3.998 3.960 -0.004 0.000 0.216 297 G HA3 0.041 3.998 3.960 -0.004 0.000 0.216 297 G C 1.067 175.958 174.900 -0.015 0.000 1.125 297 G CA -0.178 44.881 45.100 -0.068 0.000 0.766 297 G HN 0.116 nan 8.290 nan 0.000 0.541 298 I N 0.036 120.607 120.570 0.002 0.000 3.341 298 I HA 0.129 4.297 4.170 -0.004 0.000 0.243 298 I C 2.373 178.527 176.117 0.062 0.000 1.094 298 I CA 0.136 61.471 61.300 0.058 0.000 1.507 298 I CB -1.531 36.514 38.000 0.075 0.000 1.441 298 I HN 0.345 nan 8.210 nan 0.000 0.465 299 Y N 1.837 122.156 120.300 0.033 0.000 2.465 299 Y HA -0.051 4.496 4.550 -0.004 0.000 0.289 299 Y C 2.370 178.313 175.900 0.071 0.000 1.150 299 Y CA 1.405 59.528 58.100 0.037 0.000 1.293 299 Y CB -1.186 37.292 38.460 0.030 0.000 0.977 299 Y HN 0.190 nan 8.280 nan 0.000 0.556 300 S N 0.268 115.735 115.700 -0.389 0.000 2.436 300 S HA -0.045 4.422 4.470 -0.004 0.000 0.228 300 S C 1.398 176.018 174.600 0.033 0.000 1.014 300 S CA 1.112 59.149 58.200 -0.273 0.000 0.950 300 S CB -0.632 62.367 63.200 -0.335 0.000 0.784 300 S HN 0.611 nan 8.310 nan 0.000 0.504 301 F N 1.587 121.490 119.950 -0.079 0.000 2.781 301 F HA 0.223 4.747 4.527 -0.004 0.000 0.322 301 F C 1.520 177.340 175.800 0.033 0.000 1.108 301 F CA 0.823 58.811 58.000 -0.021 0.000 1.179 301 F CB 0.315 39.289 39.000 -0.043 0.000 1.072 301 F HN 0.115 nan 8.300 nan 0.000 0.545 302 T N -2.096 112.402 114.554 -0.092 0.000 3.071 302 T HA 0.145 4.492 4.350 -0.004 0.000 0.239 302 T C 1.923 176.644 174.700 0.034 0.000 0.997 302 T CA 0.768 62.790 62.100 -0.129 0.000 1.134 302 T CB -0.544 68.277 68.868 -0.078 0.000 0.928 302 T HN 0.244 nan 8.240 nan 0.000 0.453 303 L N 1.449 122.723 121.223 0.085 0.000 2.046 303 L HA 0.057 4.394 4.340 -0.004 0.000 0.208 303 L C -0.493 176.424 176.870 0.078 0.000 1.077 303 L CA 1.372 56.278 54.840 0.110 0.000 0.747 303 L CB -1.651 40.492 42.059 0.140 0.000 0.896 303 L HN 0.262 nan 8.230 nan 0.000 0.432 304 P HA -0.141 nan 4.420 nan 0.000 0.217 304 P C 1.794 179.122 177.300 0.046 0.000 1.154 304 P CA 0.856 63.995 63.100 0.065 0.000 0.841 304 P CB 0.062 31.819 31.700 0.094 0.000 0.788 305 L N -0.451 120.785 121.223 0.021 0.000 2.265 305 L HA 0.049 4.386 4.340 -0.004 0.000 0.215 305 L C 1.908 178.784 176.870 0.011 0.000 1.117 305 L CA 1.929 56.769 54.840 -0.001 0.000 0.782 305 L CB -1.292 40.658 42.059 -0.183 0.000 0.914 305 L HN -0.046 nan 8.230 nan 0.000 0.441 306 G N -2.079 106.737 108.800 0.026 0.000 2.719 306 G HA2 0.076 4.033 3.960 -0.004 0.000 0.211 306 G HA3 0.076 4.033 3.960 -0.004 0.000 0.211 306 G C 1.380 176.186 174.900 -0.158 0.000 1.140 306 G CA 0.321 45.332 45.100 -0.149 0.000 0.790 306 G HN 0.458 nan 8.290 nan 0.000 0.529 307 A N 0.452 123.244 122.820 -0.046 0.000 2.239 307 A HA 0.301 4.618 4.320 -0.004 0.000 0.209 307 A C 1.855 179.411 177.584 -0.047 0.000 1.171 307 A CA 1.860 53.876 52.037 -0.035 0.000 0.768 307 A CB -0.264 18.737 19.000 0.002 0.000 0.790 307 A HN 0.260 nan 8.150 nan 0.000 0.478 308 T N -2.569 111.944 114.554 -0.069 0.000 3.029 308 T HA 0.285 4.632 4.350 -0.004 0.000 0.256 308 T C 1.398 176.050 174.700 -0.079 0.000 0.914 308 T CA 0.250 62.319 62.100 -0.052 0.000 0.880 308 T CB -0.092 68.765 68.868 -0.017 0.000 1.246 308 T HN 0.287 nan 8.240 nan 0.000 0.523 309 I N 0.996 121.478 120.570 -0.147 0.000 2.681 309 I HA 0.220 4.388 4.170 -0.004 0.000 0.247 309 I C 0.730 176.683 176.117 -0.274 0.000 1.091 309 I CA 0.185 61.382 61.300 -0.173 0.000 1.442 309 I CB -0.015 37.900 38.000 -0.143 0.000 1.219 309 I HN 0.069 nan 8.210 nan 0.000 0.451 310 N N 1.861 120.220 118.700 -0.568 0.000 2.415 310 N HA 0.225 4.963 4.740 -0.004 0.000 0.250 310 N C -0.628 174.752 175.510 -0.216 0.000 1.127 310 N CA 0.353 53.093 53.050 -0.517 0.000 0.945 310 N CB 0.180 38.043 38.487 -1.040 0.000 1.196 310 N HN 0.157 nan 8.380 nan 0.000 0.499 311 M N 2.262 121.803 119.600 -0.097 0.000 2.746 311 M HA 0.190 4.668 4.480 -0.004 0.000 0.209 311 M C 0.039 176.356 176.300 0.029 0.000 1.077 311 M CA -0.565 54.721 55.300 -0.024 0.000 0.695 311 M CB 0.965 33.553 32.600 -0.020 0.000 1.416 311 M HN 0.368 nan 8.290 nan 0.000 0.459 312 D N 0.922 121.360 120.400 0.062 0.000 2.104 312 D HA -0.132 4.505 4.640 -0.004 0.000 0.194 312 D C 1.946 178.303 176.300 0.095 0.000 0.994 312 D CA 1.834 55.892 54.000 0.097 0.000 0.830 312 D CB -0.155 40.749 40.800 0.174 0.000 0.959 312 D HN 0.666 nan 8.370 nan 0.000 0.452 313 G N -0.109 108.751 108.800 0.100 0.000 2.476 313 G HA2 -0.301 3.657 3.960 -0.004 0.000 0.218 313 G HA3 -0.301 3.657 3.960 -0.004 0.000 0.218 313 G C 1.772 176.734 174.900 0.104 0.000 1.164 313 G CA 1.557 46.711 45.100 0.089 0.000 0.768 313 G HN 0.259 nan 8.290 nan 0.000 0.560 314 T N 0.962 115.563 114.554 0.078 0.000 2.746 314 T HA 0.060 4.408 4.350 -0.004 0.000 0.267 314 T C 2.775 177.596 174.700 0.201 0.000 1.039 314 T CA 1.696 63.861 62.100 0.107 0.000 1.142 314 T CB -0.346 68.547 68.868 0.043 0.000 0.866 314 T HN 0.366 nan 8.240 nan 0.000 0.444 315 A N 0.931 123.828 122.820 0.127 0.000 1.877 315 A HA 0.011 4.329 4.320 -0.004 0.000 0.216 315 A C 2.249 179.890 177.584 0.094 0.000 1.186 315 A CA 1.465 53.565 52.037 0.104 0.000 0.620 315 A CB -0.897 18.146 19.000 0.071 0.000 0.822 315 A HN 0.532 nan 8.150 nan 0.000 0.443 316 L N -1.587 119.694 121.223 0.097 0.000 2.042 316 L HA -0.202 4.136 4.340 -0.004 0.000 0.210 316 L C 2.481 179.401 176.870 0.083 0.000 1.076 316 L CA 2.344 57.227 54.840 0.071 0.000 0.749 316 L CB -0.430 41.674 42.059 0.076 0.000 0.893 316 L HN 0.587 nan 8.230 nan 0.000 0.432 317 Y N 0.082 120.396 120.300 0.024 0.000 2.224 317 Y HA -0.288 4.260 4.550 -0.004 0.000 0.289 317 Y C 2.498 178.418 175.900 0.034 0.000 1.146 317 Y CA 1.948 60.066 58.100 0.030 0.000 1.182 317 Y CB -0.197 38.284 38.460 0.035 0.000 0.983 317 Y HN 0.296 nan 8.280 nan 0.000 0.524 318 Q N -0.090 119.715 119.800 0.009 0.000 2.224 318 Q HA -0.026 4.312 4.340 -0.004 0.000 0.203 318 Q C 2.365 178.304 176.000 -0.100 0.000 0.970 318 Q CA 1.350 57.111 55.803 -0.069 0.000 0.865 318 Q CB -0.362 28.430 28.738 0.089 0.000 0.922 318 Q HN 0.670 nan 8.270 nan 0.000 0.445 319 G N -0.362 108.385 108.800 -0.090 0.000 2.454 319 G HA2 -0.219 3.738 3.960 -0.004 0.000 0.214 319 G HA3 -0.219 3.738 3.960 -0.004 0.000 0.214 319 G C 1.335 176.119 174.900 -0.194 0.000 1.217 319 G CA 0.589 45.607 45.100 -0.138 0.000 0.799 319 G HN 0.319 nan 8.290 nan 0.000 0.538 320 V N 0.232 120.040 119.914 -0.178 0.000 2.660 320 V HA -0.203 3.914 4.120 -0.004 0.000 0.257 320 V C 2.547 178.607 176.094 -0.056 0.000 1.088 320 V CA 2.238 64.462 62.300 -0.127 0.000 1.106 320 V CB -0.612 31.169 31.823 -0.071 0.000 0.686 320 V HN 0.437 nan 8.190 nan 0.000 0.481 321 C N -0.494 118.715 119.300 -0.153 0.000 2.533 321 C HA 0.042 4.500 4.460 -0.004 0.000 0.272 321 C C 2.629 177.676 174.990 0.095 0.000 1.371 321 C CA 1.091 60.059 59.018 -0.083 0.000 1.758 321 C CB -0.978 26.530 27.740 -0.388 0.000 1.972 321 C HN 0.707 nan 8.230 nan 0.000 0.522 322 T N 0.851 115.459 114.554 0.090 0.000 2.812 322 T HA -0.069 4.278 4.350 -0.004 0.000 0.264 322 T C 1.398 176.285 174.700 0.313 0.000 1.042 322 T CA 1.312 63.519 62.100 0.177 0.000 1.140 322 T CB -0.290 68.677 68.868 0.165 0.000 0.870 322 T HN 0.330 nan 8.240 nan 0.000 0.445 323 F N 0.931 120.908 119.950 0.045 0.000 2.146 323 F HA 0.127 4.652 4.527 -0.004 0.000 0.298 323 F C 1.956 177.798 175.800 0.070 0.000 1.096 323 F CA -0.408 57.622 58.000 0.050 0.000 1.275 323 F CB -1.173 37.863 39.000 0.060 0.000 1.008 323 F HN 0.126 nan 8.300 nan 0.000 0.480 324 F N 0.285 120.344 119.950 0.181 0.000 2.250 324 F HA -0.197 4.327 4.527 -0.004 0.000 0.301 324 F C 2.079 177.913 175.800 0.057 0.000 1.077 324 F CA 1.392 59.444 58.000 0.087 0.000 1.348 324 F CB -0.440 38.584 39.000 0.040 0.000 1.040 324 F HN -0.063 nan 8.300 nan 0.000 0.509 325 I N -0.679 119.865 120.570 -0.045 0.000 2.703 325 I HA -0.067 4.100 4.170 -0.004 0.000 0.259 325 I C 2.543 178.585 176.117 -0.124 0.000 1.151 325 I CA 0.837 62.050 61.300 -0.145 0.000 1.470 325 I CB -0.645 37.371 38.000 0.026 0.000 1.112 325 I HN 0.163 nan 8.210 nan 0.000 0.437 326 A N 1.008 123.794 122.820 -0.057 0.000 1.933 326 A HA -0.229 4.089 4.320 -0.004 0.000 0.218 326 A C 1.967 179.466 177.584 -0.142 0.000 1.175 326 A CA 1.918 53.896 52.037 -0.097 0.000 0.628 326 A CB -0.852 18.072 19.000 -0.127 0.000 0.814 326 A HN 0.483 nan 8.150 nan 0.000 0.444 327 N N -0.140 118.471 118.700 -0.149 0.000 2.092 327 N HA -0.017 4.721 4.740 -0.004 0.000 0.189 327 N C 1.666 177.073 175.510 -0.172 0.000 1.040 327 N CA 0.872 53.836 53.050 -0.144 0.000 0.845 327 N CB -0.207 38.226 38.487 -0.090 0.000 1.017 327 N HN 0.428 nan 8.380 nan 0.000 0.426 328 A N 0.642 123.292 122.820 -0.283 0.000 2.263 328 A HA 0.021 4.338 4.320 -0.004 0.000 0.205 328 A C 1.526 178.996 177.584 -0.191 0.000 1.226 328 A CA 0.586 52.450 52.037 -0.289 0.000 0.810 328 A CB -0.113 18.575 19.000 -0.521 0.000 0.784 328 A HN 0.239 nan 8.150 nan 0.000 0.486 329 L N -2.647 118.486 121.223 -0.150 0.000 2.663 329 L HA 0.308 4.646 4.340 -0.004 0.000 0.218 329 L C 1.377 178.196 176.870 -0.085 0.000 1.043 329 L CA 1.752 56.531 54.840 -0.103 0.000 0.876 329 L CB -0.290 41.716 42.059 -0.088 0.000 1.263 329 L HN 0.658 nan 8.230 nan 0.000 0.486 330 G N 0.418 109.162 108.800 -0.093 0.000 2.181 330 G HA2 -0.096 3.862 3.960 -0.004 0.000 0.152 330 G HA3 -0.096 3.862 3.960 -0.004 0.000 0.152 330 G C 0.196 175.049 174.900 -0.078 0.000 1.026 330 G CA 0.375 45.427 45.100 -0.079 0.000 0.699 330 G HN 0.636 nan 8.290 nan 0.000 0.497 331 S N -1.539 114.104 115.700 -0.094 0.000 2.664 331 S HA 0.841 5.308 4.470 -0.004 0.000 0.304 331 S C 0.764 175.286 174.600 -0.130 0.000 1.099 331 S CA 0.564 58.708 58.200 -0.094 0.000 1.003 331 S CB 0.710 63.861 63.200 -0.083 0.000 1.092 331 S HN 1.860 nan 8.310 nan 0.000 0.525 332 H N -0.328 118.669 119.070 -0.121 0.000 2.547 332 H HA 0.616 5.169 4.556 -0.004 0.000 0.274 332 H C 1.550 176.750 175.328 -0.213 0.000 1.024 332 H CA 0.914 56.873 56.048 -0.150 0.000 1.155 332 H CB -1.468 28.235 29.762 -0.098 0.000 1.344 332 H HN 2.421 nan 8.280 nan 0.000 0.598 333 L N -0.860 120.233 121.223 -0.216 0.000 3.865 333 L HA -0.210 4.127 4.340 -0.004 0.000 0.408 333 L C 1.401 178.216 176.870 -0.091 0.000 1.209 333 L CA 1.459 56.170 54.840 -0.215 0.000 0.940 333 L CB -3.288 38.436 42.059 -0.557 0.000 1.971 333 L HN 1.342 nan 8.230 nan 0.000 0.899 334 T N -2.933 111.580 114.554 -0.068 0.000 3.626 334 T HA 0.210 4.558 4.350 -0.004 0.000 0.393 334 T C 1.481 176.172 174.700 -0.015 0.000 0.765 334 T CA 0.864 62.946 62.100 -0.030 0.000 2.006 334 T CB -2.644 66.219 68.868 -0.008 0.000 1.739 334 T HN 2.632 nan 8.240 nan 0.000 0.720 335 V N -0.151 119.742 119.914 -0.034 0.000 2.814 335 V HA 0.258 4.375 4.120 -0.004 0.000 0.298 335 V C 1.827 177.928 176.094 0.012 0.000 1.195 335 V CA 1.512 63.806 62.300 -0.010 0.000 1.323 335 V CB -0.743 31.066 31.823 -0.024 0.000 0.842 335 V HN 1.865 nan 8.190 nan 0.000 0.494 336 G N 1.519 110.339 108.800 0.033 0.000 2.812 336 G HA2 -0.110 3.847 3.960 -0.004 0.000 0.219 336 G HA3 -0.110 3.847 3.960 -0.004 0.000 0.219 336 G C 0.952 175.871 174.900 0.031 0.000 1.275 336 G CA 1.254 46.370 45.100 0.027 0.000 0.769 336 G HN 2.368 nan 8.290 nan 0.000 0.527 337 Q N 1.030 120.847 119.800 0.028 0.000 2.259 337 Q HA 0.529 4.867 4.340 -0.004 0.000 0.228 337 Q C 1.873 177.903 176.000 0.049 0.000 0.909 337 Q CA 1.540 57.360 55.803 0.029 0.000 0.948 337 Q CB -0.852 27.897 28.738 0.019 0.000 1.041 337 Q HN 1.079 nan 8.270 nan 0.000 0.445 338 Q N -1.379 118.466 119.800 0.074 0.000 2.247 338 Q HA 0.250 4.587 4.340 -0.004 0.000 0.204 338 Q C 1.247 177.293 176.000 0.076 0.000 0.872 338 Q CA -0.160 55.716 55.803 0.121 0.000 0.951 338 Q CB 0.074 28.951 28.738 0.232 0.000 1.099 338 Q HN 0.576 nan 8.270 nan 0.000 0.501 339 L N 0.644 121.894 121.223 0.046 0.000 2.492 339 L HA 0.013 4.350 4.340 -0.004 0.000 0.223 339 L C 1.558 178.442 176.870 0.023 0.000 1.132 339 L CA 0.799 55.652 54.840 0.022 0.000 0.850 339 L CB -0.051 42.016 42.059 0.013 0.000 0.966 339 L HN 0.281 nan 8.230 nan 0.000 0.454 340 T N 0.176 114.750 114.554 0.033 0.000 2.857 340 T HA -0.077 4.270 4.350 -0.004 0.000 0.266 340 T C 1.930 176.651 174.700 0.035 0.000 1.048 340 T CA 1.043 63.162 62.100 0.031 0.000 1.139 340 T CB -0.020 68.868 68.868 0.032 0.000 0.874 340 T HN 0.184 nan 8.240 nan 0.000 0.455 341 I N 0.767 121.365 120.570 0.046 0.000 2.179 341 I HA -0.150 4.018 4.170 -0.004 0.000 0.242 341 I C 2.509 178.639 176.117 0.022 0.000 1.088 341 I CA 0.834 62.160 61.300 0.044 0.000 1.357 341 I CB -0.604 37.435 38.000 0.066 0.000 1.051 341 I HN 0.049 nan 8.210 nan 0.000 0.409 342 V N 0.900 120.820 119.914 0.011 0.000 2.324 342 V HA -0.308 3.809 4.120 -0.004 0.000 0.250 342 V C 2.359 178.459 176.094 0.010 0.000 1.060 342 V CA 2.131 64.429 62.300 -0.003 0.000 1.042 342 V CB -0.366 31.448 31.823 -0.016 0.000 0.650 342 V HN 0.356 nan 8.190 nan 0.000 0.450 343 L N -0.661 120.572 121.223 0.017 0.000 2.022 343 L HA -0.102 4.235 4.340 -0.004 0.000 0.204 343 L C 2.636 179.522 176.870 0.027 0.000 1.076 343 L CA 2.466 57.319 54.840 0.022 0.000 0.749 343 L CB -0.705 41.367 42.059 0.021 0.000 0.903 343 L HN 0.387 nan 8.230 nan 0.000 0.439 344 T N 0.059 114.630 114.554 0.030 0.000 2.737 344 T HA -0.237 4.110 4.350 -0.004 0.000 0.269 344 T C 1.791 176.514 174.700 0.039 0.000 1.040 344 T CA 1.308 63.428 62.100 0.034 0.000 1.142 344 T CB -0.699 68.191 68.868 0.035 0.000 0.861 344 T HN 0.492 nan 8.240 nan 0.000 0.456 345 A N 0.700 123.542 122.820 0.037 0.000 2.066 345 A HA 0.348 4.665 4.320 -0.004 0.000 0.218 345 A C 2.589 180.200 177.584 0.045 0.000 1.157 345 A CA 1.282 53.346 52.037 0.045 0.000 0.670 345 A CB -0.962 18.060 19.000 0.036 0.000 0.804 345 A HN 0.534 nan 8.150 nan 0.000 0.453 346 V N -1.318 118.619 119.914 0.038 0.000 2.649 346 V HA 0.034 4.152 4.120 -0.004 0.000 0.248 346 V C 2.236 178.352 176.094 0.036 0.000 1.054 346 V CA 1.643 63.965 62.300 0.037 0.000 1.073 346 V CB -0.429 31.416 31.823 0.036 0.000 0.699 346 V HN 0.326 nan 8.190 nan 0.000 0.463 347 L N 0.341 121.586 121.223 0.036 0.000 2.156 347 L HA 0.094 4.431 4.340 -0.004 0.000 0.208 347 L C 2.728 179.620 176.870 0.036 0.000 1.095 347 L CA 2.163 57.024 54.840 0.035 0.000 0.770 347 L CB -0.851 41.228 42.059 0.034 0.000 0.914 347 L HN 0.452 nan 8.230 nan 0.000 0.439 348 A N -1.807 121.038 122.820 0.043 0.000 2.021 348 A HA -0.056 4.262 4.320 -0.004 0.000 0.216 348 A C 2.407 180.019 177.584 0.047 0.000 1.163 348 A CA 1.188 53.254 52.037 0.049 0.000 0.676 348 A CB -0.230 18.809 19.000 0.064 0.000 0.818 348 A HN 0.410 nan 8.150 nan 0.000 0.453 349 S N 0.416 116.141 115.700 0.042 0.000 2.354 349 S HA -0.173 4.294 4.470 -0.004 0.000 0.219 349 S C 1.782 176.386 174.600 0.008 0.000 1.035 349 S CA 1.583 59.801 58.200 0.029 0.000 1.037 349 S CB -0.568 62.646 63.200 0.025 0.000 0.956 349 S HN 0.527 nan 8.310 nan 0.000 0.428 350 I N 1.727 122.300 120.570 0.006 0.000 2.064 350 I HA -0.301 3.866 4.170 -0.004 0.000 0.234 350 I C 2.760 178.878 176.117 0.002 0.000 1.019 350 I CA 1.647 62.946 61.300 -0.002 0.000 1.301 350 I CB -1.217 36.792 38.000 0.015 0.000 1.017 350 I HN 0.423 nan 8.210 nan 0.000 0.392 351 G N -0.262 108.547 108.800 0.015 0.000 2.599 351 G HA2 -0.257 3.700 3.960 -0.004 0.000 0.219 351 G HA3 -0.257 3.700 3.960 -0.004 0.000 0.219 351 G C 0.839 175.748 174.900 0.016 0.000 1.193 351 G CA 1.267 46.378 45.100 0.018 0.000 0.778 351 G HN 0.409 nan 8.290 nan 0.000 0.589 352 T N 1.630 116.198 114.554 0.022 0.000 2.830 352 T HA 0.324 4.671 4.350 -0.004 0.000 0.282 352 T C 0.409 175.111 174.700 0.004 0.000 1.024 352 T CA 0.477 62.589 62.100 0.021 0.000 1.144 352 T CB 0.535 69.420 68.868 0.027 0.000 1.035 352 T HN 0.596 nan 8.240 nan 0.000 0.507 353 A N 2.873 125.695 122.820 0.003 0.000 2.305 353 A HA 0.648 4.966 4.320 -0.004 0.000 0.322 353 A C 1.240 178.816 177.584 -0.013 0.000 1.187 353 A CA -0.471 51.563 52.037 -0.005 0.000 0.825 353 A CB 0.859 19.858 19.000 -0.001 0.000 1.164 353 A HN 0.992 nan 8.150 nan 0.000 0.498 354 G N 0.859 109.648 108.800 -0.019 0.000 3.356 354 G HA2 0.446 4.403 3.960 -0.004 0.000 0.239 354 G HA3 0.446 4.403 3.960 -0.004 0.000 0.239 354 G C 0.301 175.186 174.900 -0.025 0.000 1.252 354 G CA 0.843 45.928 45.100 -0.024 0.000 1.611 354 G HN 1.337 nan 8.290 nan 0.000 0.580 355 V N -0.854 119.046 119.914 -0.023 0.000 2.834 355 V HA 0.596 4.714 4.120 -0.004 0.000 0.313 355 V C -0.243 175.834 176.094 -0.029 0.000 1.060 355 V CA -1.931 60.354 62.300 -0.024 0.000 0.989 355 V CB 1.267 33.080 31.823 -0.016 0.000 1.041 355 V HN 0.124 nan 8.190 nan 0.000 0.459 356 P HA -0.240 nan 4.420 nan 0.000 0.233 356 P C 0.863 178.141 177.300 -0.037 0.000 1.100 356 P CA 2.763 65.845 63.100 -0.029 0.000 1.009 356 P CB 0.073 31.763 31.700 -0.017 0.000 0.759 357 G N -3.498 105.284 108.800 -0.030 0.000 5.338 357 G HA2 0.401 4.359 3.960 -0.004 0.000 0.198 357 G HA3 0.401 4.359 3.960 -0.004 0.000 0.198 357 G C 0.170 175.054 174.900 -0.027 0.000 0.708 357 G CA 0.398 45.471 45.100 -0.046 0.000 0.626 357 G HN 0.422 nan 8.290 nan 0.000 0.419 358 A N 0.056 122.868 122.820 -0.014 0.000 2.532 358 A HA 0.612 4.929 4.320 -0.004 0.000 0.273 358 A C 1.846 179.447 177.584 0.028 0.000 1.342 358 A CA 0.834 52.882 52.037 0.019 0.000 0.929 358 A CB -0.001 19.013 19.000 0.024 0.000 1.051 358 A HN 0.661 nan 8.150 nan 0.000 0.521 359 G N -0.611 108.185 108.800 -0.006 0.000 2.459 359 G HA2 0.185 4.142 3.960 -0.004 0.000 0.213 359 G HA3 0.185 4.142 3.960 -0.004 0.000 0.213 359 G C 1.546 176.540 174.900 0.156 0.000 1.155 359 G CA 0.920 46.035 45.100 0.025 0.000 0.811 359 G HN 0.632 nan 8.290 nan 0.000 0.534 360 A N 0.823 123.727 122.820 0.140 0.000 1.969 360 A HA 0.115 4.432 4.320 -0.004 0.000 0.218 360 A C 2.328 180.124 177.584 0.355 0.000 1.169 360 A CA 0.961 53.187 52.037 0.315 0.000 0.635 360 A CB -0.293 18.813 19.000 0.177 0.000 0.810 360 A HN 0.367 nan 8.150 nan 0.000 0.445 361 I N -1.753 118.960 120.570 0.239 0.000 2.202 361 I HA -0.192 3.975 4.170 -0.004 0.000 0.242 361 I C 2.347 178.555 176.117 0.153 0.000 1.091 361 I CA 1.496 62.924 61.300 0.213 0.000 1.368 361 I CB -0.209 37.875 38.000 0.141 0.000 1.058 361 I HN 0.276 nan 8.210 nan 0.000 0.410 362 M N 0.606 120.283 119.600 0.130 0.000 2.682 362 M HA -0.019 4.458 4.480 -0.004 0.000 0.235 362 M C 1.485 177.858 176.300 0.122 0.000 1.114 362 M CA 0.808 56.169 55.300 0.102 0.000 1.053 362 M CB -0.141 32.507 32.600 0.079 0.000 1.599 362 M HN 0.202 nan 8.290 nan 0.000 0.520 363 L N -0.687 120.643 121.223 0.177 0.000 2.418 363 L HA 0.251 4.589 4.340 -0.004 0.000 0.218 363 L C 2.012 178.950 176.870 0.112 0.000 1.125 363 L CA 1.363 56.315 54.840 0.185 0.000 0.835 363 L CB -0.764 41.472 42.059 0.296 0.000 0.953 363 L HN 0.195 nan 8.230 nan 0.000 0.454 364 A N 0.397 123.255 122.820 0.063 0.000 1.877 364 A HA -0.240 4.078 4.320 -0.004 0.000 0.216 364 A C 2.211 179.802 177.584 0.012 0.000 1.186 364 A CA 2.322 54.353 52.037 -0.009 0.000 0.620 364 A CB -0.636 18.327 19.000 -0.062 0.000 0.822 364 A HN 0.563 nan 8.150 nan 0.000 0.443 365 M N -0.817 118.800 119.600 0.028 0.000 2.143 365 M HA -0.173 4.305 4.480 -0.004 0.000 0.258 365 M C 2.076 178.395 176.300 0.032 0.000 1.071 365 M CA 1.855 57.172 55.300 0.028 0.000 1.088 365 M CB -0.625 31.996 32.600 0.035 0.000 1.360 365 M HN 0.320 nan 8.290 nan 0.000 0.404 366 V N 0.395 120.335 119.914 0.043 0.000 2.488 366 V HA -0.127 3.990 4.120 -0.004 0.000 0.246 366 V C 2.031 178.150 176.094 0.043 0.000 1.046 366 V CA 1.370 63.697 62.300 0.045 0.000 1.053 366 V CB -0.108 31.747 31.823 0.053 0.000 0.679 366 V HN 0.457 nan 8.190 nan 0.000 0.458 367 L N 0.345 121.592 121.223 0.041 0.000 2.083 367 L HA -0.154 4.183 4.340 -0.004 0.000 0.209 367 L C 2.931 179.812 176.870 0.017 0.000 1.083 367 L CA 2.171 57.032 54.840 0.034 0.000 0.752 367 L CB -1.059 41.016 42.059 0.025 0.000 0.899 367 L HN 0.692 nan 8.230 nan 0.000 0.433 368 H N -1.320 117.755 119.070 0.008 0.000 2.495 368 H HA 0.133 4.686 4.556 -0.004 0.000 0.287 368 H C 2.387 177.721 175.328 0.010 0.000 1.033 368 H CA 1.425 57.475 56.048 0.002 0.000 1.307 368 H CB -0.510 29.251 29.762 -0.003 0.000 1.401 368 H HN 0.546 nan 8.280 nan 0.000 0.555 369 S N 0.269 115.981 115.700 0.019 0.000 2.436 369 S HA 0.269 4.737 4.470 -0.004 0.000 0.228 369 S C 2.493 177.108 174.600 0.025 0.000 1.014 369 S CA 1.504 59.718 58.200 0.022 0.000 0.950 369 S CB -0.629 62.588 63.200 0.028 0.000 0.784 369 S HN 1.025 nan 8.310 nan 0.000 0.504 370 V N -0.372 119.561 119.914 0.031 0.000 3.306 370 V HA 0.481 4.598 4.120 -0.004 0.000 0.264 370 V C 1.735 177.839 176.094 0.016 0.000 1.149 370 V CA 1.394 63.714 62.300 0.034 0.000 1.143 370 V CB -0.809 31.048 31.823 0.056 0.000 0.767 370 V HN 1.130 nan 8.190 nan 0.000 0.476 371 G N -0.320 108.485 108.800 0.010 0.000 2.205 371 G HA2 -0.062 3.895 3.960 -0.004 0.000 0.180 371 G HA3 -0.062 3.895 3.960 -0.004 0.000 0.180 371 G C 0.045 174.941 174.900 -0.007 0.000 1.004 371 G CA -0.041 45.059 45.100 -0.000 0.000 0.670 371 G HN 0.984 nan 8.290 nan 0.000 0.496 372 L N 0.308 121.528 121.223 -0.005 0.000 2.435 372 L HA 0.509 4.847 4.340 -0.004 0.000 0.253 372 L C -2.474 174.383 176.870 -0.021 0.000 1.087 372 L CA -2.193 52.639 54.840 -0.013 0.000 0.950 372 L CB 1.023 43.075 42.059 -0.012 0.000 1.304 372 L HN -0.189 nan 8.230 nan 0.000 0.453 373 P HA 0.026 nan 4.420 nan 0.000 0.270 373 P C 0.372 177.634 177.300 -0.063 0.000 1.223 373 P CA -0.409 62.667 63.100 -0.041 0.000 0.785 373 P CB 0.934 32.616 31.700 -0.031 0.000 0.923 374 L N 1.872 123.036 121.223 -0.098 0.000 2.747 374 L HA 0.020 4.357 4.340 -0.004 0.000 0.248 374 L C 0.987 177.792 176.870 -0.109 0.000 1.191 374 L CA 1.351 56.100 54.840 -0.151 0.000 1.003 374 L CB -1.364 40.543 42.059 -0.253 0.000 1.235 374 L HN 0.421 nan 8.230 nan 0.000 0.426 375 T N -5.800 108.712 114.554 -0.069 0.000 3.019 375 T HA 0.172 4.520 4.350 -0.004 0.000 0.247 375 T C 0.910 175.584 174.700 -0.042 0.000 0.992 375 T CA 0.362 62.430 62.100 -0.053 0.000 1.036 375 T CB -0.488 68.359 68.868 -0.035 0.000 1.063 375 T HN 0.310 nan 8.240 nan 0.000 0.476 376 D N 3.513 123.892 120.400 -0.036 0.000 2.398 376 D HA 0.369 5.006 4.640 -0.004 0.000 0.250 376 D C -1.633 174.649 176.300 -0.030 0.000 1.287 376 D CA -1.658 52.325 54.000 -0.029 0.000 0.992 376 D CB -0.595 40.189 40.800 -0.026 0.000 1.071 376 D HN 0.173 nan 8.370 nan 0.000 0.514 377 P HA -0.213 nan 4.420 nan 0.000 0.226 377 P C 0.913 178.202 177.300 -0.018 0.000 1.139 377 P CA 0.948 64.032 63.100 -0.027 0.000 0.777 377 P CB 0.056 31.740 31.700 -0.026 0.000 0.757 378 N N -1.271 117.417 118.700 -0.021 0.000 2.173 378 N HA -0.070 4.668 4.740 -0.004 0.000 0.184 378 N C 1.426 176.926 175.510 -0.017 0.000 1.025 378 N CA 0.817 53.854 53.050 -0.023 0.000 0.852 378 N CB -0.106 38.363 38.487 -0.031 0.000 0.998 378 N HN -0.040 nan 8.380 nan 0.000 0.427 379 V N 1.602 121.505 119.914 -0.018 0.000 2.358 379 V HA -0.169 3.948 4.120 -0.004 0.000 0.246 379 V C 2.374 178.486 176.094 0.030 0.000 1.047 379 V CA 1.843 64.140 62.300 -0.005 0.000 1.035 379 V CB -0.881 30.929 31.823 -0.021 0.000 0.658 379 V HN 0.298 nan 8.190 nan 0.000 0.452 380 A N 0.155 122.978 122.820 0.005 0.000 1.933 380 A HA -0.032 4.286 4.320 -0.004 0.000 0.218 380 A C 2.352 179.987 177.584 0.086 0.000 1.175 380 A CA 1.980 54.029 52.037 0.019 0.000 0.628 380 A CB -0.658 18.319 19.000 -0.038 0.000 0.814 380 A HN 0.578 nan 8.150 nan 0.000 0.444 381 A N -0.662 122.187 122.820 0.049 0.000 2.067 381 A HA 0.386 4.703 4.320 -0.004 0.000 0.217 381 A C 2.333 179.963 177.584 0.076 0.000 1.156 381 A CA 1.447 53.515 52.037 0.051 0.000 0.683 381 A CB -0.616 18.395 19.000 0.019 0.000 0.808 381 A HN 0.873 nan 8.150 nan 0.000 0.455 382 A N -1.295 121.571 122.820 0.077 0.000 1.929 382 A HA -0.017 4.301 4.320 -0.004 0.000 0.216 382 A C 2.055 179.759 177.584 0.200 0.000 1.176 382 A CA 1.388 53.474 52.037 0.082 0.000 0.628 382 A CB -0.769 18.214 19.000 -0.029 0.000 0.816 382 A HN 0.670 nan 8.150 nan 0.000 0.444 383 Y N 0.946 121.290 120.300 0.075 0.000 2.165 383 Y HA -0.151 4.396 4.550 -0.005 0.000 0.286 383 Y C 2.551 178.508 175.900 0.094 0.000 1.155 383 Y CA 1.338 59.497 58.100 0.098 0.000 1.164 383 Y CB -0.488 38.005 38.460 0.056 0.000 0.978 383 Y HN 0.303 nan 8.280 nan 0.000 0.513 384 A N 0.378 123.271 122.820 0.122 0.000 2.032 384 A HA -0.243 4.074 4.320 -0.004 0.000 0.221 384 A C 2.340 179.908 177.584 -0.026 0.000 1.165 384 A CA 2.039 54.084 52.037 0.013 0.000 0.645 384 A CB -0.770 18.263 19.000 0.055 0.000 0.807 384 A HN 0.636 nan 8.150 nan 0.000 0.453 385 M N -1.026 118.602 119.600 0.048 0.000 2.156 385 M HA -0.062 4.415 4.480 -0.004 0.000 0.264 385 M C 1.942 178.260 176.300 0.030 0.000 1.067 385 M CA 1.053 56.404 55.300 0.086 0.000 1.131 385 M CB -0.319 32.402 32.600 0.203 0.000 1.368 385 M HN 0.316 nan 8.290 nan 0.000 0.416 386 I N 0.523 121.101 120.570 0.012 0.000 2.163 386 I HA -0.285 3.883 4.170 -0.004 0.000 0.243 386 I C 2.332 178.376 176.117 -0.122 0.000 1.085 386 I CA 1.578 62.831 61.300 -0.079 0.000 1.347 386 I CB -1.105 36.864 38.000 -0.052 0.000 1.044 386 I HN 0.286 nan 8.210 nan 0.000 0.408 387 L N 0.565 121.651 121.223 -0.228 0.000 2.450 387 L HA -0.121 4.216 4.340 -0.004 0.000 0.224 387 L C 2.285 179.087 176.870 -0.114 0.000 1.149 387 L CA 1.288 56.005 54.840 -0.205 0.000 0.816 387 L CB -0.516 41.373 42.059 -0.283 0.000 0.932 387 L HN 0.249 nan 8.230 nan 0.000 0.449 388 G N 0.241 108.985 108.800 -0.092 0.000 2.396 388 G HA2 -0.141 3.817 3.960 -0.004 0.000 0.214 388 G HA3 -0.141 3.817 3.960 -0.004 0.000 0.214 388 G C 1.132 175.994 174.900 -0.063 0.000 1.166 388 G CA 0.624 45.667 45.100 -0.094 0.000 0.793 388 G HN 0.534 nan 8.290 nan 0.000 0.533 389 I N -2.037 118.513 120.570 -0.034 0.000 3.837 389 I HA 0.377 4.545 4.170 -0.004 0.000 0.332 389 I C 0.802 176.884 176.117 -0.059 0.000 1.484 389 I CA -0.052 61.225 61.300 -0.039 0.000 1.223 389 I CB 0.552 38.521 38.000 -0.053 0.000 1.257 389 I HN -0.123 nan 8.210 nan 0.000 0.421 390 D N 2.021 122.382 120.400 -0.066 0.000 2.301 390 D HA 0.052 4.690 4.640 -0.004 0.000 0.206 390 D C 2.126 178.372 176.300 -0.090 0.000 0.979 390 D CA 0.941 54.898 54.000 -0.071 0.000 0.874 390 D CB 0.658 41.414 40.800 -0.073 0.000 0.968 390 D HN 0.534 nan 8.370 nan 0.000 0.510 391 A N 0.849 123.616 122.820 -0.088 0.000 2.067 391 A HA -0.093 4.225 4.320 -0.004 0.000 0.219 391 A C 2.015 179.533 177.584 -0.110 0.000 1.158 391 A CA 0.623 52.603 52.037 -0.095 0.000 0.661 391 A CB -0.194 18.743 19.000 -0.104 0.000 0.801 391 A HN 0.183 nan 8.150 nan 0.000 0.452 392 I N -0.246 120.266 120.570 -0.097 0.000 2.188 392 I HA -0.113 4.054 4.170 -0.004 0.000 0.237 392 I C 2.504 178.596 176.117 -0.041 0.000 1.073 392 I CA 0.839 62.084 61.300 -0.092 0.000 1.359 392 I CB -1.487 36.440 38.000 -0.123 0.000 1.083 392 I HN 0.258 nan 8.210 nan 0.000 0.412 393 L N 0.413 121.615 121.223 -0.034 0.000 2.013 393 L HA -0.297 4.040 4.340 -0.004 0.000 0.212 393 L C 2.425 179.301 176.870 0.011 0.000 1.073 393 L CA 1.849 56.724 54.840 0.057 0.000 0.753 393 L CB -0.657 41.452 42.059 0.083 0.000 0.890 393 L HN 0.391 nan 8.230 nan 0.000 0.432 394 D N -0.038 120.285 120.400 -0.128 0.000 2.092 394 D HA -0.225 4.412 4.640 -0.004 0.000 0.193 394 D C 2.328 178.525 176.300 -0.172 0.000 0.994 394 D CA 1.480 55.367 54.000 -0.188 0.000 0.828 394 D CB 0.044 40.729 40.800 -0.192 0.000 0.963 394 D HN 0.242 nan 8.370 nan 0.000 0.450 395 M N 0.388 119.832 119.600 -0.261 0.000 2.151 395 M HA -0.229 4.249 4.480 -0.004 0.000 0.256 395 M C 2.413 178.444 176.300 -0.450 0.000 1.072 395 M CA 2.228 57.164 55.300 -0.607 0.000 1.090 395 M CB -0.902 31.031 32.600 -1.112 0.000 1.294 395 M HN 0.106 nan 8.290 nan 0.000 0.415 396 G N 0.741 109.461 108.800 -0.135 0.000 2.480 396 G HA2 -0.266 3.691 3.960 -0.004 0.000 0.216 396 G HA3 -0.266 3.691 3.960 -0.004 0.000 0.216 396 G C 1.355 176.248 174.900 -0.012 0.000 1.200 396 G CA 1.404 46.484 45.100 -0.032 0.000 0.782 396 G HN 0.590 nan 8.290 nan 0.000 0.554 397 R N -0.349 120.144 120.500 -0.011 0.000 2.120 397 R HA 0.132 4.469 4.340 -0.004 0.000 0.234 397 R C 2.330 178.629 176.300 -0.002 0.000 1.123 397 R CA 1.871 57.972 56.100 0.001 0.000 0.975 397 R CB -1.402 28.889 30.300 -0.015 0.000 0.866 397 R HN 0.293 nan 8.270 nan 0.000 0.446 398 T N -0.485 114.050 114.554 -0.031 0.000 3.215 398 T HA 0.182 4.529 4.350 -0.004 0.000 0.254 398 T C 1.573 176.297 174.700 0.042 0.000 1.149 398 T CA 0.505 62.594 62.100 -0.017 0.000 1.042 398 T CB -0.121 68.713 68.868 -0.058 0.000 0.966 398 T HN 0.205 nan 8.240 nan 0.000 0.534 399 M N -0.271 119.382 119.600 0.089 0.000 2.751 399 M HA 0.088 4.566 4.480 -0.004 0.000 0.252 399 M C 2.137 178.498 176.300 0.101 0.000 1.264 399 M CA 0.681 56.059 55.300 0.131 0.000 1.237 399 M CB 0.413 33.139 32.600 0.210 0.000 1.242 399 M HN 0.116 nan 8.290 nan 0.000 0.525 400 V N 1.847 121.825 119.914 0.107 0.000 2.794 400 V HA -0.261 3.856 4.120 -0.004 0.000 0.260 400 V C 1.567 177.755 176.094 0.156 0.000 1.103 400 V CA 1.479 63.878 62.300 0.165 0.000 1.125 400 V CB -1.329 30.571 31.823 0.129 0.000 0.702 400 V HN 0.474 nan 8.190 nan 0.000 0.494 401 N N -0.310 118.441 118.700 0.085 0.000 2.290 401 N HA -0.030 4.707 4.740 -0.004 0.000 0.179 401 N C 1.602 177.128 175.510 0.027 0.000 1.016 401 N CA 0.989 54.068 53.050 0.048 0.000 0.871 401 N CB 0.039 38.535 38.487 0.016 0.000 0.987 401 N HN 0.358 nan 8.380 nan 0.000 0.431 402 V N -0.302 119.632 119.914 0.033 0.000 2.599 402 V HA -0.037 4.080 4.120 -0.004 0.000 0.245 402 V C 2.077 178.179 176.094 0.014 0.000 1.046 402 V CA 1.283 63.597 62.300 0.024 0.000 1.065 402 V CB -0.704 31.139 31.823 0.032 0.000 0.703 402 V HN 0.234 nan 8.190 nan 0.000 0.464 403 T N 1.076 115.639 114.554 0.016 0.000 2.622 403 T HA -0.175 4.173 4.350 -0.004 0.000 0.266 403 T C 1.949 176.548 174.700 -0.167 0.000 1.047 403 T CA 2.039 64.129 62.100 -0.016 0.000 1.159 403 T CB -0.792 68.111 68.868 0.058 0.000 0.863 403 T HN 0.605 nan 8.240 nan 0.000 0.422 404 G N 1.361 109.964 108.800 -0.328 0.000 2.499 404 G HA2 -0.237 3.721 3.960 -0.004 0.000 0.221 404 G HA3 -0.237 3.721 3.960 -0.004 0.000 0.221 404 G C 1.211 176.118 174.900 0.012 0.000 1.109 404 G CA 1.100 45.886 45.100 -0.524 0.000 0.749 404 G HN 0.442 nan 8.290 nan 0.000 0.568 405 D N 0.060 120.511 120.400 0.086 0.000 2.234 405 D HA 0.018 4.656 4.640 -0.004 0.000 0.205 405 D C 2.546 178.932 176.300 0.144 0.000 0.962 405 D CA 0.301 54.441 54.000 0.233 0.000 0.855 405 D CB 0.040 40.914 40.800 0.123 0.000 0.951 405 D HN 0.331 nan 8.370 nan 0.000 0.500 406 L N 0.318 121.584 121.223 0.071 0.000 2.102 406 L HA -0.064 4.274 4.340 -0.004 0.000 0.202 406 L C 2.464 179.443 176.870 0.181 0.000 1.076 406 L CA 0.862 55.749 54.840 0.078 0.000 0.761 406 L CB -0.541 41.514 42.059 -0.008 0.000 0.921 406 L HN -0.064 nan 8.230 nan 0.000 0.444 407 T N -0.095 114.592 114.554 0.222 0.000 2.620 407 T HA -0.241 4.106 4.350 -0.004 0.000 0.267 407 T C 1.703 176.268 174.700 -0.225 0.000 1.044 407 T CA 1.816 63.939 62.100 0.038 0.000 1.161 407 T CB -0.671 68.061 68.868 -0.226 0.000 0.862 407 T HN 0.582 nan 8.240 nan 0.000 0.438 408 G N -0.040 108.501 108.800 -0.432 0.000 2.484 408 G HA2 -0.128 3.830 3.960 -0.004 0.000 0.218 408 G HA3 -0.128 3.830 3.960 -0.004 0.000 0.218 408 G C 1.636 176.160 174.900 -0.626 0.000 1.130 408 G CA 1.191 45.575 45.100 -1.193 0.000 0.784 408 G HN 0.457 nan 8.290 nan 0.000 0.543 409 T N 1.207 115.602 114.554 -0.265 0.000 2.896 409 T HA 0.145 4.492 4.350 -0.004 0.000 0.263 409 T C 2.787 177.428 174.700 -0.097 0.000 1.050 409 T CA 1.069 63.087 62.100 -0.137 0.000 1.140 409 T CB -0.140 68.724 68.868 -0.006 0.000 0.877 409 T HN 0.327 nan 8.240 nan 0.000 0.457 410 A N 1.007 123.800 122.820 -0.044 0.000 2.015 410 A HA 0.023 4.341 4.320 -0.004 0.000 0.219 410 A C 1.992 179.512 177.584 -0.106 0.000 1.163 410 A CA 0.934 52.981 52.037 0.017 0.000 0.646 410 A CB -0.451 18.684 19.000 0.224 0.000 0.806 410 A HN 0.321 nan 8.150 nan 0.000 0.448 411 I N -0.154 120.245 120.570 -0.285 0.000 2.185 411 I HA -0.111 4.056 4.170 -0.004 0.000 0.235 411 I C 2.331 178.288 176.117 -0.267 0.000 1.069 411 I CA 0.816 61.862 61.300 -0.422 0.000 1.354 411 I CB -1.273 36.256 38.000 -0.784 0.000 1.093 411 I HN 0.115 nan 8.210 nan 0.000 0.411 412 V N 1.552 121.290 119.914 -0.293 0.000 3.284 412 V HA -0.181 3.936 4.120 -0.004 0.000 0.273 412 V C 2.432 178.482 176.094 -0.073 0.000 1.178 412 V CA 1.104 63.308 62.300 -0.161 0.000 1.177 412 V CB -2.032 29.683 31.823 -0.179 0.000 0.793 412 V HN 0.419 nan 8.190 nan 0.000 0.536 413 A N 0.640 123.421 122.820 -0.065 0.000 1.821 413 A HA -0.151 4.167 4.320 -0.004 0.000 0.215 413 A C 2.315 179.906 177.584 0.013 0.000 1.214 413 A CA 1.741 53.773 52.037 -0.007 0.000 0.608 413 A CB -0.521 18.485 19.000 0.010 0.000 0.862 413 A HN 0.416 nan 8.150 nan 0.000 0.448 414 K N -0.785 119.630 120.400 0.025 0.000 2.034 414 K HA -0.166 4.152 4.320 -0.004 0.000 0.214 414 K C 2.173 178.807 176.600 0.058 0.000 1.051 414 K CA 2.085 58.403 56.287 0.051 0.000 0.931 414 K CB -0.703 31.847 32.500 0.084 0.000 0.715 414 K HN 0.601 nan 8.250 nan 0.000 0.446 415 T N 0.853 115.452 114.554 0.075 0.000 2.428 415 T HA -0.259 4.089 4.350 -0.004 0.000 0.248 415 T C 1.818 176.546 174.700 0.046 0.000 1.284 415 T CA 2.086 64.235 62.100 0.082 0.000 1.217 415 T CB -0.411 68.507 68.868 0.083 0.000 0.864 415 T HN 0.342 nan 8.240 nan 0.000 0.402 416 E N 1.031 121.249 120.200 0.029 0.000 2.021 416 E HA 0.264 4.611 4.350 -0.004 0.000 0.189 416 E C 0.797 177.410 176.600 0.022 0.000 0.980 416 E CA 1.093 57.507 56.400 0.024 0.000 0.803 416 E CB -0.202 29.510 29.700 0.021 0.000 0.766 416 E HN 0.639 nan 8.360 nan 0.000 0.449 417 G N 0.000 108.812 108.800 0.021 0.000 5.446 417 G HA2 0.000 3.957 3.960 -0.004 0.000 0.244 417 G HA3 0.000 3.957 3.960 -0.004 0.000 0.244 417 G CA 0.000 nan 45.100 nan 0.000 0.502 417 G HN 0.000 nan 8.290 nan 0.000 0.925