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 2nwx_1_B DATA FIRST_RESID 12 DATA SEQUENCE VLQKILIGLI LGAIVGLILG HYGYAHAVHT YVKPFGDLFV RLLKMLVMPI DATA SEQUENCE VFASLVVGAA SISPARLGRV GVKIVVYYLL TSAFAVTLGI IMARLFNPGA DATA SEQUENCE GIHLAVGXXX XXXXXXPPLV 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 VAKTE 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 0.000 176.078 176.094 -0.027 0.000 1.182 12 V CA 0.000 62.285 62.300 -0.025 0.000 1.235 12 V CB 0.000 31.808 31.823 -0.024 0.000 1.184 13 L N 0.673 121.882 121.223 -0.023 0.000 2.851 13 L HA 0.789 5.130 4.340 0.003 0.000 0.237 13 L C 1.316 178.173 176.870 -0.021 0.000 1.257 13 L CA 1.614 56.441 54.840 -0.021 0.000 1.061 13 L CB -0.803 41.247 42.059 -0.015 0.000 1.372 13 L HN 1.991 nan 8.230 nan 0.000 0.493 14 Q N -1.097 118.688 119.800 -0.025 0.000 2.246 14 Q HA 0.297 4.639 4.340 0.003 0.000 0.222 14 Q C 2.167 178.146 176.000 -0.034 0.000 0.851 14 Q CA 1.060 56.849 55.803 -0.024 0.000 0.945 14 Q CB -0.319 28.407 28.738 -0.020 0.000 1.122 14 Q HN 0.893 nan 8.270 nan 0.000 0.508 15 K N 0.433 120.807 120.400 -0.044 0.000 2.280 15 K HA 0.088 4.410 4.320 0.003 0.000 0.202 15 K C 1.929 178.488 176.600 -0.069 0.000 1.047 15 K CA 1.368 57.617 56.287 -0.064 0.000 0.942 15 K CB -0.511 31.945 32.500 -0.072 0.000 0.739 15 K HN 0.486 nan 8.250 nan 0.000 0.457 16 I N 0.779 121.316 120.570 -0.056 0.000 2.202 16 I HA -0.164 4.007 4.170 0.003 0.000 0.242 16 I C 2.175 178.277 176.117 -0.025 0.000 1.091 16 I CA 0.693 61.963 61.300 -0.050 0.000 1.368 16 I CB -0.062 37.916 38.000 -0.036 0.000 1.058 16 I HN 0.190 nan 8.210 nan 0.000 0.410 17 L N -0.085 121.126 121.223 -0.021 0.000 2.156 17 L HA -0.128 4.214 4.340 0.003 0.000 0.208 17 L C 2.876 179.741 176.870 -0.008 0.000 1.095 17 L CA 1.911 56.744 54.840 -0.012 0.000 0.770 17 L CB -1.827 40.223 42.059 -0.015 0.000 0.914 17 L HN 0.320 nan 8.230 nan 0.000 0.439 18 I N -0.246 120.310 120.570 -0.024 0.000 2.226 18 I HA -0.091 4.081 4.170 0.003 0.000 0.245 18 I C 2.599 178.702 176.117 -0.024 0.000 1.100 18 I CA 2.022 63.302 61.300 -0.034 0.000 1.374 18 I CB -1.640 36.324 38.000 -0.060 0.000 1.057 18 I HN 0.301 nan 8.210 nan 0.000 0.413 19 G N -0.237 108.550 108.800 -0.022 0.000 2.394 19 G HA2 -0.111 3.851 3.960 0.003 0.000 0.214 19 G HA3 -0.111 3.851 3.960 0.003 0.000 0.214 19 G C 1.703 176.706 174.900 0.172 0.000 1.176 19 G CA 1.048 46.178 45.100 0.050 0.000 0.786 19 G HN 0.695 nan 8.290 nan 0.000 0.533 20 L N 0.424 121.701 121.223 0.090 0.000 2.042 20 L HA -0.015 4.326 4.340 0.003 0.000 0.210 20 L C 2.388 179.316 176.870 0.096 0.000 1.076 20 L CA 1.529 56.425 54.840 0.094 0.000 0.749 20 L CB -0.202 41.889 42.059 0.054 0.000 0.893 20 L HN 0.086 nan 8.230 nan 0.000 0.432 21 I N -1.005 119.608 120.570 0.071 0.000 2.235 21 I HA -0.145 4.027 4.170 0.003 0.000 0.241 21 I C 2.415 178.586 176.117 0.090 0.000 1.085 21 I CA 1.063 62.398 61.300 0.059 0.000 1.378 21 I CB -1.223 36.793 38.000 0.027 0.000 1.076 21 I HN 0.344 nan 8.210 nan 0.000 0.415 22 L N 1.543 122.833 121.223 0.110 0.000 2.013 22 L HA -0.139 4.203 4.340 0.003 0.000 0.212 22 L C 2.358 179.421 176.870 0.322 0.000 1.073 22 L CA 2.454 57.391 54.840 0.162 0.000 0.753 22 L CB -1.233 40.867 42.059 0.068 0.000 0.890 22 L HN 0.239 nan 8.230 nan 0.000 0.432 23 G N -1.416 107.656 108.800 0.455 0.000 2.402 23 G HA2 -0.215 3.746 3.960 0.003 0.000 0.216 23 G HA3 -0.215 3.746 3.960 0.003 0.000 0.216 23 G C 1.607 176.512 174.900 0.008 0.000 1.162 23 G CA 0.794 45.978 45.100 0.141 0.000 0.777 23 G HN 0.679 nan 8.290 nan 0.000 0.539 24 A N 0.501 123.359 122.820 0.063 0.000 1.908 24 A HA 0.001 4.322 4.320 0.003 0.000 0.218 24 A C 2.333 179.938 177.584 0.034 0.000 1.181 24 A CA 1.568 53.632 52.037 0.044 0.000 0.627 24 A CB -0.325 18.713 19.000 0.062 0.000 0.818 24 A HN 0.300 nan 8.150 nan 0.000 0.445 25 I N -0.692 119.909 120.570 0.052 0.000 2.141 25 I HA -0.150 4.022 4.170 0.003 0.000 0.236 25 I C 2.479 178.619 176.117 0.037 0.000 1.071 25 I CA 1.087 62.410 61.300 0.039 0.000 1.345 25 I CB -0.657 37.366 38.000 0.039 0.000 1.066 25 I HN 0.116 nan 8.210 nan 0.000 0.406 26 V N 0.975 120.934 119.914 0.075 0.000 2.324 26 V HA -0.304 3.818 4.120 0.003 0.000 0.250 26 V C 2.479 178.586 176.094 0.022 0.000 1.060 26 V CA 2.193 64.536 62.300 0.072 0.000 1.042 26 V CB -1.769 30.167 31.823 0.189 0.000 0.650 26 V HN 0.610 nan 8.190 nan 0.000 0.450 27 G N -0.301 108.490 108.800 -0.015 0.000 2.552 27 G HA2 -0.278 3.683 3.960 0.003 0.000 0.216 27 G HA3 -0.278 3.683 3.960 0.003 0.000 0.216 27 G C 1.509 176.425 174.900 0.025 0.000 1.240 27 G CA 1.152 46.242 45.100 -0.016 0.000 0.796 27 G HN 0.388 nan 8.290 nan 0.000 0.568 28 L N 0.847 122.084 121.223 0.022 0.000 2.054 28 L HA -0.173 4.168 4.340 0.003 0.000 0.220 28 L C 2.809 179.722 176.870 0.071 0.000 1.081 28 L CA 1.574 56.438 54.840 0.040 0.000 0.780 28 L CB -0.543 41.529 42.059 0.021 0.000 0.893 28 L HN 0.358 nan 8.230 nan 0.000 0.438 29 I N -1.525 119.065 120.570 0.033 0.000 2.113 29 I HA -0.357 3.815 4.170 0.003 0.000 0.238 29 I C 2.353 178.502 176.117 0.054 0.000 1.070 29 I CA 1.510 62.807 61.300 -0.005 0.000 1.332 29 I CB -0.309 37.632 38.000 -0.099 0.000 1.044 29 I HN 0.206 nan 8.210 nan 0.000 0.402 30 L N 0.299 121.561 121.223 0.064 0.000 2.261 30 L HA -0.162 4.180 4.340 0.003 0.000 0.216 30 L C 2.326 179.348 176.870 0.252 0.000 1.114 30 L CA 1.354 56.289 54.840 0.159 0.000 0.777 30 L CB -0.670 41.474 42.059 0.140 0.000 0.910 30 L HN 0.357 nan 8.230 nan 0.000 0.440 31 G N -2.695 106.228 108.800 0.205 0.000 2.683 31 G HA2 -0.196 3.765 3.960 0.003 0.000 0.213 31 G HA3 -0.196 3.765 3.960 0.003 0.000 0.213 31 G C 1.458 176.480 174.900 0.203 0.000 1.142 31 G CA -0.070 45.144 45.100 0.190 0.000 0.793 31 G HN 0.395 nan 8.290 nan 0.000 0.534 32 H N -0.661 118.525 119.070 0.194 0.000 2.529 32 H HA 0.056 4.614 4.556 0.003 0.000 0.277 32 H C 0.359 175.836 175.328 0.248 0.000 0.999 32 H CA 0.641 56.819 56.048 0.217 0.000 1.256 32 H CB 0.346 30.282 29.762 0.290 0.000 1.402 32 H HN 0.356 nan 8.280 nan 0.000 0.566 33 Y N -0.113 120.212 120.300 0.042 0.000 2.756 33 Y HA 0.277 4.828 4.550 0.003 0.000 0.300 33 Y C 1.492 177.251 175.900 -0.235 0.000 1.113 33 Y CA -0.069 58.000 58.100 -0.052 0.000 1.291 33 Y CB 0.340 38.838 38.460 0.065 0.000 1.175 33 Y HN 0.275 nan 8.280 nan 0.000 0.534 34 G N -0.189 108.566 108.800 -0.074 0.000 2.233 34 G HA2 -0.380 3.581 3.960 0.003 0.000 0.270 34 G HA3 -0.380 3.581 3.960 0.003 0.000 0.270 34 G C 0.229 175.029 174.900 -0.166 0.000 1.011 34 G CA 0.340 45.347 45.100 -0.154 0.000 0.762 34 G HN 0.638 nan 8.290 nan 0.000 0.511 35 Y N -0.435 119.945 120.300 0.133 0.000 2.801 35 Y HA 0.444 4.995 4.550 0.003 0.000 0.318 35 Y C 2.299 178.301 175.900 0.170 0.000 1.073 35 Y CA -0.018 58.163 58.100 0.136 0.000 1.360 35 Y CB 0.335 38.859 38.460 0.107 0.000 1.220 35 Y HN 0.351 nan 8.280 nan 0.000 0.536 36 A N -0.736 122.271 122.820 0.312 0.000 2.032 36 A HA -0.252 4.070 4.320 0.003 0.000 0.221 36 A C 1.324 179.147 177.584 0.398 0.000 1.165 36 A CA 1.967 54.195 52.037 0.319 0.000 0.645 36 A CB -0.386 18.783 19.000 0.283 0.000 0.807 36 A HN 0.570 nan 8.150 nan 0.000 0.453 37 H N -1.945 117.272 119.070 0.245 0.000 2.654 37 H HA 0.438 4.996 4.556 0.003 0.000 0.264 37 H C 2.223 177.703 175.328 0.253 0.000 0.954 37 H CA 0.484 56.671 56.048 0.232 0.000 1.199 37 H CB 0.085 29.942 29.762 0.157 0.000 1.446 37 H HN 0.455 nan 8.280 nan 0.000 0.516 38 A N 0.203 123.221 122.820 0.330 0.000 1.930 38 A HA -0.086 4.235 4.320 0.003 0.000 0.217 38 A C 2.289 179.969 177.584 0.161 0.000 1.175 38 A CA 1.437 53.542 52.037 0.112 0.000 0.627 38 A CB -0.669 18.230 19.000 -0.168 0.000 0.815 38 A HN 0.201 nan 8.150 nan 0.000 0.443 39 V N -0.309 119.728 119.914 0.205 0.000 2.221 39 V HA -0.260 3.862 4.120 0.003 0.000 0.242 39 V C 2.545 178.736 176.094 0.161 0.000 1.041 39 V CA 2.073 64.490 62.300 0.195 0.000 0.995 39 V CB -1.066 30.906 31.823 0.247 0.000 0.635 39 V HN 0.784 nan 8.190 nan 0.000 0.448 40 H N 0.603 119.705 119.070 0.054 0.000 2.390 40 H HA -0.211 4.347 4.556 0.003 0.000 0.298 40 H C 2.103 177.325 175.328 -0.177 0.000 1.106 40 H CA 2.454 58.386 56.048 -0.194 0.000 1.297 40 H CB -0.251 29.359 29.762 -0.253 0.000 1.375 40 H HN 0.585 nan 8.280 nan 0.000 0.509 41 T N -1.702 112.936 114.554 0.139 0.000 3.023 41 T HA -0.067 4.284 4.350 0.003 0.000 0.266 41 T C 1.423 176.081 174.700 -0.070 0.000 1.093 41 T CA 0.799 62.955 62.100 0.092 0.000 1.129 41 T CB -0.124 68.894 68.868 0.251 0.000 0.899 41 T HN 0.278 nan 8.240 nan 0.000 0.491 42 Y N -0.990 119.255 120.300 -0.091 0.000 2.512 42 Y HA 0.290 4.841 4.550 0.003 0.000 0.268 42 Y C 2.167 178.002 175.900 -0.108 0.000 1.102 42 Y CA -0.149 57.899 58.100 -0.088 0.000 1.261 42 Y CB 1.207 39.658 38.460 -0.015 0.000 1.250 42 Y HN 0.086 nan 8.280 nan 0.000 0.506 43 V N -1.243 118.693 119.914 0.037 0.000 3.219 43 V HA 0.110 4.232 4.120 0.003 0.000 0.240 43 V C 2.091 178.152 176.094 -0.056 0.000 1.222 43 V CA 1.213 63.553 62.300 0.067 0.000 1.181 43 V CB -0.482 31.389 31.823 0.080 0.000 0.941 43 V HN 0.120 nan 8.190 nan 0.000 0.471 44 K N 1.012 121.290 120.400 -0.203 0.000 2.442 44 K HA -0.031 4.291 4.320 0.003 0.000 0.198 44 K C -0.122 176.299 176.600 -0.297 0.000 1.042 44 K CA 1.548 57.644 56.287 -0.319 0.000 0.958 44 K CB -1.976 30.089 32.500 -0.725 0.000 0.766 44 K HN 0.597 nan 8.250 nan 0.000 0.474 45 P HA 0.000 nan 4.420 nan 0.000 0.216 45 P C 1.054 178.276 177.300 -0.129 0.000 1.153 45 P CA 0.572 63.487 63.100 -0.308 0.000 0.844 45 P CB -0.077 31.335 31.700 -0.479 0.000 0.787 46 F N -0.133 119.851 119.950 0.057 0.000 2.171 46 F HA -0.099 4.430 4.527 0.003 0.000 0.300 46 F C 2.540 178.477 175.800 0.228 0.000 1.090 46 F CA 1.034 59.148 58.000 0.190 0.000 1.293 46 F CB -1.167 37.925 39.000 0.153 0.000 1.013 46 F HN -0.025 nan 8.300 nan 0.000 0.486 47 G N -0.683 108.281 108.800 0.274 0.000 2.422 47 G HA2 -0.194 3.767 3.960 0.003 0.000 0.218 47 G HA3 -0.194 3.767 3.960 0.003 0.000 0.218 47 G C 1.285 176.328 174.900 0.238 0.000 1.140 47 G CA 0.900 46.133 45.100 0.223 0.000 0.775 47 G HN 0.210 nan 8.290 nan 0.000 0.545 48 D N -0.093 120.378 120.400 0.117 0.000 2.162 48 D HA -0.031 4.611 4.640 0.003 0.000 0.203 48 D C 2.446 178.805 176.300 0.099 0.000 0.967 48 D CA 0.211 54.247 54.000 0.059 0.000 0.840 48 D CB -0.090 40.678 40.800 -0.053 0.000 0.972 48 D HN 0.194 nan 8.370 nan 0.000 0.482 49 L N 0.802 122.118 121.223 0.155 0.000 1.978 49 L HA -0.214 4.128 4.340 0.003 0.000 0.218 49 L C 2.162 179.145 176.870 0.189 0.000 1.075 49 L CA 1.608 56.532 54.840 0.140 0.000 0.767 49 L CB -1.095 41.080 42.059 0.192 0.000 0.890 49 L HN -0.034 nan 8.230 nan 0.000 0.434 50 F N -0.416 119.692 119.950 0.264 0.000 2.087 50 F HA -0.271 4.258 4.527 0.003 0.000 0.299 50 F C 2.159 178.038 175.800 0.131 0.000 1.100 50 F CA 2.266 60.444 58.000 0.298 0.000 1.226 50 F CB -0.878 38.336 39.000 0.356 0.000 0.983 50 F HN 0.005 nan 8.300 nan 0.000 0.479 51 V N 1.009 120.896 119.914 -0.045 0.000 2.307 51 V HA -0.259 3.862 4.120 0.003 0.000 0.245 51 V C 2.634 178.637 176.094 -0.152 0.000 1.045 51 V CA 1.894 64.076 62.300 -0.196 0.000 1.024 51 V CB -0.782 31.005 31.823 -0.059 0.000 0.651 51 V HN 0.210 nan 8.190 nan 0.000 0.449 52 R N 0.097 120.554 120.500 -0.073 0.000 2.134 52 R HA -0.204 4.138 4.340 0.003 0.000 0.248 52 R C 2.219 178.467 176.300 -0.087 0.000 1.143 52 R CA 1.771 57.831 56.100 -0.067 0.000 0.957 52 R CB -1.252 29.020 30.300 -0.046 0.000 0.867 52 R HN 0.468 nan 8.270 nan 0.000 0.441 53 L N 0.408 121.572 121.223 -0.099 0.000 1.989 53 L HA -0.192 4.150 4.340 0.003 0.000 0.211 53 L C 2.520 179.314 176.870 -0.125 0.000 1.071 53 L CA 1.268 56.049 54.840 -0.099 0.000 0.749 53 L CB -0.564 41.447 42.059 -0.079 0.000 0.890 53 L HN 0.148 nan 8.230 nan 0.000 0.431 54 L N -0.442 120.655 121.223 -0.211 0.000 2.191 54 L HA -0.172 4.170 4.340 0.003 0.000 0.212 54 L C 2.692 179.480 176.870 -0.136 0.000 1.103 54 L CA 1.006 55.721 54.840 -0.207 0.000 0.769 54 L CB -0.677 41.179 42.059 -0.338 0.000 0.908 54 L HN 0.347 nan 8.230 nan 0.000 0.438 55 K N 0.032 120.361 120.400 -0.119 0.000 2.031 55 K HA -0.164 4.158 4.320 0.003 0.000 0.205 55 K C 1.984 178.547 176.600 -0.062 0.000 1.049 55 K CA 1.059 57.298 56.287 -0.080 0.000 0.939 55 K CB -0.450 32.008 32.500 -0.070 0.000 0.717 55 K HN 0.266 nan 8.250 nan 0.000 0.438 56 M N 1.262 120.824 119.600 -0.062 0.000 2.124 56 M HA -0.239 4.242 4.480 0.003 0.000 0.253 56 M C 1.837 178.111 176.300 -0.042 0.000 1.077 56 M CA 1.794 57.065 55.300 -0.048 0.000 1.085 56 M CB -0.198 32.372 32.600 -0.049 0.000 1.320 56 M HN 0.062 nan 8.290 nan 0.000 0.404 57 L N -0.809 120.382 121.223 -0.053 0.000 2.313 57 L HA -0.094 4.247 4.340 0.003 0.000 0.214 57 L C 2.255 179.095 176.870 -0.050 0.000 1.119 57 L CA 0.142 54.949 54.840 -0.054 0.000 0.809 57 L CB -0.677 41.340 42.059 -0.070 0.000 0.933 57 L HN 0.189 nan 8.230 nan 0.000 0.449 58 V N -0.610 119.279 119.914 -0.043 0.000 2.295 58 V HA -0.285 3.836 4.120 0.003 0.000 0.246 58 V C 2.659 178.754 176.094 0.002 0.000 1.049 58 V CA 1.520 63.803 62.300 -0.027 0.000 1.024 58 V CB -0.442 31.366 31.823 -0.024 0.000 0.648 58 V HN 0.342 nan 8.190 nan 0.000 0.447 59 M N -0.532 119.071 119.600 0.005 0.000 2.059 59 M HA -0.061 4.420 4.480 0.003 0.000 0.259 59 M C 0.235 176.581 176.300 0.076 0.000 1.072 59 M CA 2.115 57.433 55.300 0.030 0.000 1.117 59 M CB -2.513 30.091 32.600 0.006 0.000 1.320 59 M HN 0.264 nan 8.290 nan 0.000 0.408 60 P HA -0.091 nan 4.420 nan 0.000 0.213 60 P C 1.975 179.337 177.300 0.103 0.000 1.170 60 P CA 1.104 64.273 63.100 0.115 0.000 0.893 60 P CB -0.055 31.683 31.700 0.063 0.000 0.784 61 I N -0.628 119.940 120.570 -0.003 0.000 2.236 61 I HA -0.264 3.908 4.170 0.003 0.000 0.249 61 I C 1.835 177.953 176.117 0.001 0.000 1.102 61 I CA 1.633 62.877 61.300 -0.094 0.000 1.365 61 I CB -0.137 37.734 38.000 -0.214 0.000 1.051 61 I HN -0.187 nan 8.210 nan 0.000 0.420 62 V N 0.354 120.310 119.914 0.069 0.000 2.323 62 V HA -0.283 3.839 4.120 0.003 0.000 0.244 62 V C 2.102 178.306 176.094 0.183 0.000 1.041 62 V CA 1.945 64.317 62.300 0.119 0.000 1.025 62 V CB -0.750 31.144 31.823 0.118 0.000 0.656 62 V HN 0.440 nan 8.190 nan 0.000 0.451 63 F N 1.612 121.600 119.950 0.062 0.000 2.031 63 F HA -0.126 4.403 4.527 0.003 0.000 0.295 63 F C 2.315 178.162 175.800 0.079 0.000 1.133 63 F CA 1.503 59.556 58.000 0.088 0.000 1.188 63 F CB -1.019 38.039 39.000 0.097 0.000 0.974 63 F HN 0.071 nan 8.300 nan 0.000 0.473 64 A N 0.136 122.939 122.820 -0.027 0.000 1.852 64 A HA -0.280 4.042 4.320 0.003 0.000 0.217 64 A C 2.349 179.862 177.584 -0.119 0.000 1.215 64 A CA 2.859 54.806 52.037 -0.150 0.000 0.641 64 A CB -1.611 17.411 19.000 0.038 0.000 0.838 64 A HN 0.484 nan 8.150 nan 0.000 0.450 65 S N -0.782 114.924 115.700 0.011 0.000 2.462 65 S HA -0.141 4.331 4.470 0.003 0.000 0.243 65 S C 1.624 176.211 174.600 -0.022 0.000 1.003 65 S CA 1.436 59.672 58.200 0.061 0.000 0.970 65 S CB -0.317 63.013 63.200 0.216 0.000 0.762 65 S HN 0.448 nan 8.310 nan 0.000 0.510 66 L N 0.945 122.135 121.223 -0.054 0.000 2.307 66 L HA 0.199 4.541 4.340 0.003 0.000 0.211 66 L C 1.993 178.770 176.870 -0.155 0.000 1.099 66 L CA 0.993 55.798 54.840 -0.057 0.000 0.816 66 L CB -0.435 41.642 42.059 0.030 0.000 0.952 66 L HN 0.091 nan 8.230 nan 0.000 0.455 67 V N -1.061 118.686 119.914 -0.279 0.000 2.270 67 V HA -0.230 3.892 4.120 0.003 0.000 0.245 67 V C 2.410 178.385 176.094 -0.199 0.000 1.043 67 V CA 1.762 63.876 62.300 -0.309 0.000 1.014 67 V CB -0.558 30.970 31.823 -0.493 0.000 0.645 67 V HN 0.276 nan 8.190 nan 0.000 0.447 68 V N 1.063 120.881 119.914 -0.161 0.000 2.626 68 V HA -0.098 4.024 4.120 0.003 0.000 0.252 68 V C 2.513 178.540 176.094 -0.112 0.000 1.067 68 V CA 1.811 64.047 62.300 -0.107 0.000 1.081 68 V CB -1.320 30.465 31.823 -0.063 0.000 0.686 68 V HN 0.614 nan 8.190 nan 0.000 0.468 69 G N -0.222 108.502 108.800 -0.127 0.000 2.679 69 G HA2 0.058 4.019 3.960 0.003 0.000 0.212 69 G HA3 0.058 4.019 3.960 0.003 0.000 0.212 69 G C 1.082 175.899 174.900 -0.138 0.000 1.137 69 G CA 0.584 45.596 45.100 -0.146 0.000 0.787 69 G HN 0.620 nan 8.290 nan 0.000 0.534 70 A N 0.327 123.063 122.820 -0.140 0.000 2.734 70 A HA 0.761 5.082 4.320 0.003 0.000 0.279 70 A C 1.916 179.436 177.584 -0.106 0.000 1.386 70 A CA 0.804 52.757 52.037 -0.140 0.000 0.987 70 A CB -0.360 18.540 19.000 -0.167 0.000 1.041 70 A HN 0.417 nan 8.150 nan 0.000 0.569 71 A N 0.857 123.620 122.820 -0.097 0.000 1.830 71 A HA 0.083 4.405 4.320 0.003 0.000 0.214 71 A C 1.888 179.432 177.584 -0.067 0.000 1.218 71 A CA 1.263 53.256 52.037 -0.073 0.000 0.628 71 A CB -1.442 17.513 19.000 -0.075 0.000 0.860 71 A HN 1.510 nan 8.150 nan 0.000 0.454 72 S N -0.445 115.209 115.700 -0.077 0.000 2.516 72 S HA 0.016 4.488 4.470 0.003 0.000 0.276 72 S C 0.307 174.867 174.600 -0.066 0.000 1.339 72 S CA -0.003 58.154 58.200 -0.072 0.000 1.013 72 S CB -0.590 62.559 63.200 -0.085 0.000 0.820 72 S HN 0.460 nan 8.310 nan 0.000 0.512 73 I N 2.931 123.468 120.570 -0.056 0.000 2.919 73 I HA -0.097 4.075 4.170 0.003 0.000 0.299 73 I C 1.838 177.922 176.117 -0.055 0.000 1.221 73 I CA 0.566 61.840 61.300 -0.043 0.000 1.424 73 I CB 0.029 38.005 38.000 -0.040 0.000 1.358 73 I HN 0.980 nan 8.210 nan 0.000 0.551 74 S N 8.749 124.436 115.700 -0.023 0.000 2.404 74 S HA -0.079 4.393 4.470 0.003 0.000 0.216 74 S C -0.569 173.995 174.600 -0.059 0.000 1.039 74 S CA 1.611 59.788 58.200 -0.038 0.000 1.062 74 S CB -0.767 62.461 63.200 0.047 0.000 1.046 74 S HN 0.574 nan 8.310 nan 0.000 0.415 75 P HA 0.159 nan 4.420 nan 0.000 0.214 75 P C 0.887 178.157 177.300 -0.051 0.000 1.162 75 P CA 1.564 64.643 63.100 -0.035 0.000 0.879 75 P CB -0.404 31.289 31.700 -0.010 0.000 0.786 76 A N -1.069 121.724 122.820 -0.043 0.000 2.768 76 A HA 0.281 4.603 4.320 0.003 0.000 0.239 76 A C 1.144 178.685 177.584 -0.072 0.000 1.794 76 A CA 0.077 52.086 52.037 -0.048 0.000 0.853 76 A CB -0.356 18.625 19.000 -0.033 0.000 1.725 76 A HN -0.040 nan 8.150 nan 0.000 0.648 77 R N -2.354 118.107 120.500 -0.066 0.000 3.713 77 R HA -0.281 4.060 4.340 0.003 0.000 0.478 77 R C 1.461 177.682 176.300 -0.133 0.000 0.252 77 R CA 1.746 57.794 56.100 -0.087 0.000 1.389 77 R CB -2.470 27.773 30.300 -0.096 0.000 0.850 77 R HN 0.585 nan 8.270 nan 0.000 0.566 78 L N 0.525 121.623 121.223 -0.208 0.000 2.054 78 L HA -0.275 4.066 4.340 0.003 0.000 0.240 78 L C 2.640 179.363 176.870 -0.244 0.000 1.107 78 L CA 2.867 57.501 54.840 -0.343 0.000 0.833 78 L CB -2.216 39.627 42.059 -0.361 0.000 0.929 78 L HN 0.802 nan 8.230 nan 0.000 0.447 79 G N -1.385 107.324 108.800 -0.152 0.000 2.631 79 G HA2 -0.401 3.561 3.960 0.003 0.000 0.219 79 G HA3 -0.401 3.561 3.960 0.003 0.000 0.219 79 G C 1.798 176.671 174.900 -0.046 0.000 1.214 79 G CA 2.886 47.938 45.100 -0.081 0.000 0.785 79 G HN 0.536 nan 8.290 nan 0.000 0.596 80 R N -0.239 120.236 120.500 -0.041 0.000 2.070 80 R HA 0.130 4.472 4.340 0.003 0.000 0.233 80 R C 2.838 179.133 176.300 -0.007 0.000 1.137 80 R CA 1.857 57.947 56.100 -0.016 0.000 0.945 80 R CB -1.433 28.858 30.300 -0.015 0.000 0.845 80 R HN 0.460 nan 8.270 nan 0.000 0.430 81 V N 0.544 120.441 119.914 -0.028 0.000 2.332 81 V HA -0.141 3.981 4.120 0.003 0.000 0.248 81 V C 2.561 178.711 176.094 0.094 0.000 1.055 81 V CA 2.481 64.784 62.300 0.005 0.000 1.038 81 V CB -0.936 30.878 31.823 -0.014 0.000 0.651 81 V HN 0.746 nan 8.190 nan 0.000 0.450 82 G N -0.574 108.286 108.800 0.101 0.000 2.587 82 G HA2 -0.271 3.690 3.960 0.003 0.000 0.217 82 G HA3 -0.271 3.690 3.960 0.003 0.000 0.217 82 G C 1.686 176.681 174.900 0.157 0.000 1.240 82 G CA 1.460 46.727 45.100 0.278 0.000 0.794 82 G HN 0.415 nan 8.290 nan 0.000 0.580 83 V N 0.944 120.912 119.914 0.090 0.000 2.324 83 V HA -0.257 3.864 4.120 0.003 0.000 0.250 83 V C 2.838 178.964 176.094 0.053 0.000 1.060 83 V CA 2.527 64.868 62.300 0.069 0.000 1.042 83 V CB -0.540 31.312 31.823 0.048 0.000 0.650 83 V HN 0.390 nan 8.190 nan 0.000 0.450 84 K N -0.674 119.748 120.400 0.036 0.000 1.991 84 K HA -0.210 4.112 4.320 0.003 0.000 0.212 84 K C 2.090 178.681 176.600 -0.014 0.000 1.049 84 K CA 1.962 58.258 56.287 0.015 0.000 0.932 84 K CB -0.412 32.084 32.500 -0.007 0.000 0.717 84 K HN 0.303 nan 8.250 nan 0.000 0.441 85 I N 0.824 121.351 120.570 -0.071 0.000 2.315 85 I HA -0.213 3.959 4.170 0.003 0.000 0.248 85 I C 1.938 177.872 176.117 -0.307 0.000 1.117 85 I CA 1.034 62.160 61.300 -0.290 0.000 1.404 85 I CB -0.110 37.684 38.000 -0.343 0.000 1.071 85 I HN -0.075 nan 8.210 nan 0.000 0.419 86 V N -0.188 119.703 119.914 -0.038 0.000 2.231 86 V HA -0.328 3.793 4.120 0.003 0.000 0.248 86 V C 2.531 178.691 176.094 0.110 0.000 1.054 86 V CA 2.136 64.498 62.300 0.103 0.000 1.015 86 V CB -0.705 31.194 31.823 0.126 0.000 0.638 86 V HN 0.281 nan 8.190 nan 0.000 0.444 87 V N -0.850 119.113 119.914 0.080 0.000 2.287 87 V HA -0.326 3.796 4.120 0.003 0.000 0.248 87 V C 2.196 178.342 176.094 0.086 0.000 1.053 87 V CA 2.633 64.981 62.300 0.080 0.000 1.027 87 V CB -0.849 31.016 31.823 0.070 0.000 0.646 87 V HN 0.713 nan 8.190 nan 0.000 0.447 88 Y N -0.018 120.250 120.300 -0.054 0.000 2.081 88 Y HA -0.341 4.210 4.550 0.002 0.000 0.280 88 Y C 2.382 178.331 175.900 0.082 0.000 1.163 88 Y CA 1.943 60.011 58.100 -0.054 0.000 1.135 88 Y CB -0.703 37.647 38.460 -0.183 0.000 0.970 88 Y HN 0.320 nan 8.280 nan 0.000 0.498 89 Y N -1.031 119.294 120.300 0.042 0.000 2.165 89 Y HA -0.314 4.237 4.550 0.002 0.000 0.286 89 Y C 2.430 178.270 175.900 -0.100 0.000 1.155 89 Y CA 0.507 58.581 58.100 -0.044 0.000 1.164 89 Y CB -0.260 38.264 38.460 0.106 0.000 0.978 89 Y HN 0.209 nan 8.280 nan 0.000 0.513 90 L N -0.077 121.227 121.223 0.135 0.000 2.012 90 L HA -0.260 4.082 4.340 0.003 0.000 0.210 90 L C 2.183 179.069 176.870 0.026 0.000 1.073 90 L CA 1.826 56.710 54.840 0.074 0.000 0.748 90 L CB -1.349 40.754 42.059 0.073 0.000 0.891 90 L HN 0.327 nan 8.230 nan 0.000 0.431 91 L N -1.191 120.022 121.223 -0.018 0.000 2.179 91 L HA -0.142 4.200 4.340 0.003 0.000 0.208 91 L C 2.511 179.363 176.870 -0.032 0.000 1.096 91 L CA 1.331 56.163 54.840 -0.014 0.000 0.779 91 L CB -1.010 41.033 42.059 -0.027 0.000 0.922 91 L HN 0.375 nan 8.230 nan 0.000 0.443 92 T N -3.519 110.934 114.554 -0.168 0.000 2.746 92 T HA -0.151 4.200 4.350 0.003 0.000 0.267 92 T C 2.045 176.756 174.700 0.018 0.000 1.039 92 T CA 1.595 63.614 62.100 -0.134 0.000 1.142 92 T CB -0.444 68.274 68.868 -0.250 0.000 0.866 92 T HN 0.175 nan 8.240 nan 0.000 0.444 93 S N 1.981 117.690 115.700 0.016 0.000 2.345 93 S HA 0.174 4.646 4.470 0.003 0.000 0.220 93 S C 2.701 177.327 174.600 0.044 0.000 1.031 93 S CA 0.879 59.100 58.200 0.035 0.000 0.996 93 S CB -0.929 62.285 63.200 0.023 0.000 0.882 93 S HN 0.744 nan 8.310 nan 0.000 0.445 94 A N 0.644 123.492 122.820 0.048 0.000 1.986 94 A HA -0.127 4.194 4.320 0.003 0.000 0.220 94 A C 1.871 179.481 177.584 0.043 0.000 1.171 94 A CA 1.423 53.483 52.037 0.039 0.000 0.640 94 A CB -0.780 18.248 19.000 0.046 0.000 0.811 94 A HN 0.478 nan 8.150 nan 0.000 0.451 95 F N 0.412 120.328 119.950 -0.056 0.000 2.098 95 F HA 0.035 4.564 4.527 0.002 0.000 0.294 95 F C 2.657 178.414 175.800 -0.073 0.000 1.107 95 F CA 1.135 59.095 58.000 -0.066 0.000 1.234 95 F CB -0.561 38.390 39.000 -0.081 0.000 1.002 95 F HN 0.258 nan 8.300 nan 0.000 0.472 96 A N -0.176 122.720 122.820 0.125 0.000 1.940 96 A HA -0.282 4.039 4.320 0.003 0.000 0.221 96 A C 2.367 179.912 177.584 -0.065 0.000 1.190 96 A CA 2.359 54.416 52.037 0.034 0.000 0.647 96 A CB -1.699 17.326 19.000 0.041 0.000 0.821 96 A HN 0.427 nan 8.150 nan 0.000 0.457 97 V N -0.354 119.512 119.914 -0.080 0.000 2.261 97 V HA -0.216 3.905 4.120 0.003 0.000 0.246 97 V C 2.404 178.379 176.094 -0.198 0.000 1.047 97 V CA 3.262 65.492 62.300 -0.115 0.000 1.015 97 V CB -1.191 30.581 31.823 -0.087 0.000 0.642 97 V HN 0.628 nan 8.190 nan 0.000 0.446 98 T N 1.433 115.832 114.554 -0.259 0.000 2.699 98 T HA -0.202 4.150 4.350 0.003 0.000 0.268 98 T C 1.855 176.338 174.700 -0.362 0.000 1.036 98 T CA 1.913 63.810 62.100 -0.337 0.000 1.147 98 T CB -0.540 68.062 68.868 -0.442 0.000 0.862 98 T HN 0.367 nan 8.240 nan 0.000 0.446 99 L N 1.607 122.590 121.223 -0.400 0.000 2.042 99 L HA 0.062 4.404 4.340 0.003 0.000 0.210 99 L C 2.559 179.338 176.870 -0.152 0.000 1.076 99 L CA 1.910 56.601 54.840 -0.249 0.000 0.749 99 L CB -1.429 40.544 42.059 -0.143 0.000 0.893 99 L HN 0.365 nan 8.230 nan 0.000 0.432 100 G N -1.164 107.544 108.800 -0.153 0.000 2.572 100 G HA2 -0.087 3.875 3.960 0.003 0.000 0.216 100 G HA3 -0.087 3.875 3.960 0.003 0.000 0.216 100 G C 1.480 176.245 174.900 -0.225 0.000 1.133 100 G CA 0.293 45.312 45.100 -0.136 0.000 0.791 100 G HN 0.310 nan 8.290 nan 0.000 0.538 101 I N 0.895 121.276 120.570 -0.315 0.000 2.233 101 I HA -0.007 4.165 4.170 0.003 0.000 0.243 101 I C 2.649 178.553 176.117 -0.354 0.000 1.093 101 I CA 0.794 61.781 61.300 -0.522 0.000 1.380 101 I CB -0.828 36.908 38.000 -0.439 0.000 1.067 101 I HN 0.122 nan 8.210 nan 0.000 0.413 102 I N -0.037 120.410 120.570 -0.205 0.000 2.493 102 I HA -0.267 3.905 4.170 0.003 0.000 0.254 102 I C 2.379 178.490 176.117 -0.010 0.000 1.160 102 I CA 0.864 62.105 61.300 -0.097 0.000 1.445 102 I CB -0.095 37.846 38.000 -0.097 0.000 1.086 102 I HN 0.138 nan 8.210 nan 0.000 0.433 103 M N -0.368 119.236 119.600 0.005 0.000 2.319 103 M HA -0.023 4.459 4.480 0.003 0.000 0.265 103 M C 2.130 178.565 176.300 0.225 0.000 1.068 103 M CA 1.157 56.545 55.300 0.147 0.000 1.118 103 M CB -1.079 31.576 32.600 0.092 0.000 1.395 103 M HN 0.250 nan 8.290 nan 0.000 0.435 104 A N -1.017 121.865 122.820 0.104 0.000 2.348 104 A HA 0.118 4.440 4.320 0.003 0.000 0.224 104 A C 2.075 179.866 177.584 0.344 0.000 1.227 104 A CA 0.022 52.197 52.037 0.229 0.000 0.885 104 A CB -0.030 19.094 19.000 0.206 0.000 0.933 104 A HN 0.266 nan 8.150 nan 0.000 0.506 105 R N -0.484 120.144 120.500 0.214 0.000 2.140 105 R HA 0.175 4.516 4.340 0.003 0.000 0.213 105 R C 1.577 177.954 176.300 0.129 0.000 1.059 105 R CA 0.286 56.516 56.100 0.216 0.000 1.000 105 R CB -0.386 30.003 30.300 0.148 0.000 0.910 105 R HN 0.391 nan 8.270 nan 0.000 0.455 106 L N 0.281 121.568 121.223 0.106 0.000 1.971 106 L HA 0.024 4.365 4.340 0.003 0.000 0.208 106 L C 0.568 177.407 176.870 -0.051 0.000 1.083 106 L CA 1.251 56.092 54.840 0.001 0.000 0.753 106 L CB -0.634 41.416 42.059 -0.016 0.000 0.893 106 L HN -0.041 nan 8.230 nan 0.000 0.436 107 F N 0.526 120.513 119.950 0.062 0.000 2.484 107 F HA 0.074 4.603 4.527 0.003 0.000 0.360 107 F C 0.661 176.518 175.800 0.095 0.000 1.101 107 F CA -0.025 58.018 58.000 0.072 0.000 1.251 107 F CB -0.029 39.017 39.000 0.077 0.000 1.132 107 F HN 0.086 nan 8.300 nan 0.000 0.570 108 N N 3.963 122.805 118.700 0.237 0.000 2.800 108 N HA 0.350 5.092 4.740 0.003 0.000 0.240 108 N C -2.744 172.866 175.510 0.167 0.000 1.096 108 N CA -1.951 51.205 53.050 0.176 0.000 0.877 108 N CB 0.726 39.271 38.487 0.096 0.000 1.138 108 N HN 0.072 nan 8.380 nan 0.000 0.509 109 P HA 0.358 nan 4.420 nan 0.000 0.232 109 P C -0.570 176.791 177.300 0.101 0.000 1.814 109 P CA -0.468 62.776 63.100 0.239 0.000 1.085 109 P CB 0.418 32.341 31.700 0.373 0.000 1.901 110 G N 0.911 109.712 108.800 0.001 0.000 3.100 110 G HA2 0.349 4.311 3.960 0.003 0.000 0.233 110 G HA3 0.349 4.311 3.960 0.003 0.000 0.233 110 G C 0.017 174.865 174.900 -0.085 0.000 3.794 110 G CA 0.143 45.157 45.100 -0.143 0.000 0.453 110 G HN 0.379 nan 8.290 nan 0.000 0.329 111 A N 0.821 123.614 122.820 -0.045 0.000 2.080 111 A HA 0.802 5.123 4.320 0.003 0.000 0.211 111 A C 1.718 179.278 177.584 -0.040 0.000 1.708 111 A CA 1.031 53.047 52.037 -0.035 0.000 0.825 111 A CB -0.568 18.428 19.000 -0.006 0.000 1.261 111 A HN 1.972 nan 8.150 nan 0.000 0.573 112 G N 0.797 109.585 108.800 -0.020 0.000 2.202 112 G HA2 0.353 4.315 3.960 0.003 0.000 0.251 112 G HA3 0.353 4.315 3.960 0.003 0.000 0.251 112 G C -0.034 174.844 174.900 -0.036 0.000 1.219 112 G CA -0.031 45.060 45.100 -0.015 0.000 0.943 112 G HN 0.416 nan 8.290 nan 0.000 0.465 113 I N 1.770 122.320 120.570 -0.033 0.000 2.598 113 I HA 0.090 4.262 4.170 0.003 0.000 0.284 113 I C 1.622 177.721 176.117 -0.029 0.000 1.140 113 I CA -0.034 61.241 61.300 -0.042 0.000 1.420 113 I CB -0.025 37.956 38.000 -0.032 0.000 1.387 113 I HN 0.783 nan 8.210 nan 0.000 0.553 114 H N 5.907 124.951 119.070 -0.043 0.000 3.327 114 H HA 0.274 4.832 4.556 0.003 0.000 0.229 114 H C 0.975 176.306 175.328 0.006 0.000 0.895 114 H CA 0.321 56.360 56.048 -0.015 0.000 1.380 114 H CB -0.733 29.015 29.762 -0.023 0.000 1.545 114 H HN 0.748 nan 8.280 nan 0.000 0.509 115 L N 2.867 124.101 121.223 0.019 0.000 1.998 115 L HA 0.328 4.670 4.340 0.003 0.000 0.244 115 L C 2.434 179.314 176.870 0.016 0.000 1.083 115 L CA 2.171 57.021 54.840 0.017 0.000 0.866 115 L CB -1.456 40.619 42.059 0.025 0.000 0.918 115 L HN 1.664 nan 8.230 nan 0.000 0.426 116 A N -1.198 121.635 122.820 0.022 0.000 2.425 116 A HA 0.535 4.857 4.320 0.003 0.000 0.242 116 A C -0.014 177.584 177.584 0.023 0.000 1.077 116 A CA 0.370 52.419 52.037 0.020 0.000 0.781 116 A CB 0.205 19.218 19.000 0.021 0.000 1.020 116 A HN 1.425 nan 8.150 nan 0.000 0.494 117 V N 1.201 121.126 119.914 0.019 0.000 2.604 117 V HA 0.813 4.935 4.120 0.003 0.000 0.305 117 V C 0.630 176.736 176.094 0.020 0.000 1.043 117 V CA 0.606 62.919 62.300 0.021 0.000 0.888 117 V CB 0.824 32.655 31.823 0.013 0.000 0.995 117 V HN 2.113 nan 8.190 nan 0.000 0.429 129 P HA 0.113 nan 4.420 nan 0.000 0.247 129 P C 0.846 178.173 177.300 0.044 0.000 1.225 129 P CA -0.084 63.030 63.100 0.024 0.000 0.768 129 P CB 0.188 31.910 31.700 0.037 0.000 1.020 130 L N -2.319 118.929 121.223 0.041 0.000 3.419 130 L HA -0.370 3.972 4.340 0.003 0.000 0.211 130 L C 1.631 178.531 176.870 0.049 0.000 4.425 130 L CA 2.325 57.189 54.840 0.040 0.000 0.584 130 L CB -1.777 40.300 42.059 0.030 0.000 3.534 130 L HN -0.066 nan 8.230 nan 0.000 0.751 131 V N -0.365 119.580 119.914 0.052 0.000 2.261 131 V HA -0.253 3.868 4.120 0.003 0.000 0.246 131 V C 2.075 178.203 176.094 0.058 0.000 1.047 131 V CA 2.127 64.452 62.300 0.042 0.000 1.015 131 V CB -0.783 31.061 31.823 0.035 0.000 0.642 131 V HN 0.713 nan 8.190 nan 0.000 0.446 132 H N -0.509 118.555 119.070 -0.010 0.000 3.068 132 H HA 0.139 4.695 4.556 0.001 0.000 0.297 132 H C 1.147 176.465 175.328 -0.016 0.000 1.135 132 H CA 0.581 56.620 56.048 -0.015 0.000 1.207 132 H CB -0.273 29.481 29.762 -0.013 0.000 1.307 132 H HN 0.438 nan 8.280 nan 0.000 0.624 133 I N -1.569 119.075 120.570 0.123 0.000 4.033 133 I HA -0.110 4.062 4.170 0.003 0.000 0.296 133 I C 2.008 178.139 176.117 0.024 0.000 1.210 133 I CA 0.029 61.376 61.300 0.079 0.000 1.341 133 I CB 0.357 38.389 38.000 0.054 0.000 1.369 133 I HN 0.122 nan 8.210 nan 0.000 0.453 134 L N 1.108 122.336 121.223 0.008 0.000 2.017 134 L HA -0.185 4.156 4.340 0.003 0.000 0.208 134 L C 2.520 179.351 176.870 -0.064 0.000 1.073 134 L CA 1.484 56.315 54.840 -0.015 0.000 0.745 134 L CB -0.586 41.471 42.059 -0.003 0.000 0.894 134 L HN 0.273 nan 8.230 nan 0.000 0.432 135 L N -0.050 121.120 121.223 -0.090 0.000 2.189 135 L HA -0.240 4.101 4.340 0.003 0.000 0.214 135 L C 1.554 178.326 176.870 -0.163 0.000 1.097 135 L CA 1.144 55.894 54.840 -0.150 0.000 0.764 135 L CB -0.736 41.197 42.059 -0.210 0.000 0.900 135 L HN 0.351 nan 8.230 nan 0.000 0.436 136 D N -0.362 119.974 120.400 -0.106 0.000 2.355 136 D HA -0.006 4.636 4.640 0.003 0.000 0.218 136 D C 2.072 178.319 176.300 -0.088 0.000 1.004 136 D CA 0.513 54.469 54.000 -0.074 0.000 0.880 136 D CB 0.100 40.910 40.800 0.016 0.000 0.911 136 D HN 0.332 nan 8.370 nan 0.000 0.528 137 I N 0.013 120.512 120.570 -0.120 0.000 2.353 137 I HA -0.086 4.085 4.170 0.003 0.000 0.248 137 I C 0.509 176.419 176.117 -0.345 0.000 1.119 137 I CA 0.451 61.666 61.300 -0.141 0.000 1.417 137 I CB 0.058 38.002 38.000 -0.093 0.000 1.078 137 I HN -0.183 nan 8.210 nan 0.000 0.421 138 V N 4.605 124.219 119.914 -0.500 0.000 2.370 138 V HA 0.123 4.245 4.120 0.003 0.000 0.257 138 V C -1.799 174.107 176.094 -0.314 0.000 1.064 138 V CA -1.356 60.520 62.300 -0.705 0.000 0.975 138 V CB -0.444 31.029 31.823 -0.582 0.000 1.067 138 V HN 0.096 nan 8.190 nan 0.000 0.485 139 P HA 0.133 nan 4.420 nan 0.000 0.271 139 P C 0.654 177.888 177.300 -0.111 0.000 1.233 139 P CA 0.020 63.049 63.100 -0.117 0.000 0.789 139 P CB 0.586 32.224 31.700 -0.104 0.000 0.951 140 T N -3.521 110.971 114.554 -0.104 0.000 2.985 140 T HA 0.136 4.487 4.350 0.003 0.000 0.254 140 T C 0.452 175.092 174.700 -0.100 0.000 1.021 140 T CA -0.022 62.028 62.100 -0.084 0.000 0.957 140 T CB -0.159 68.672 68.868 -0.063 0.000 1.047 140 T HN 0.460 nan 8.240 nan 0.000 0.511 141 N N 1.118 119.731 118.700 -0.146 0.000 2.655 141 N HA 0.281 5.023 4.740 0.003 0.000 0.277 141 N C -3.037 172.279 175.510 -0.324 0.000 1.177 141 N CA -1.621 51.311 53.050 -0.197 0.000 0.882 141 N CB 2.192 40.629 38.487 -0.084 0.000 1.481 141 N HN -0.200 nan 8.380 nan 0.000 0.547 142 P HA 0.128 nan 4.420 nan 0.000 0.226 142 P C 0.785 177.671 177.300 -0.690 0.000 1.153 142 P CA 0.789 63.389 63.100 -0.834 0.000 0.777 142 P CB 0.041 30.786 31.700 -1.592 0.000 0.794 143 F N -0.781 118.997 119.950 -0.287 0.000 2.335 143 F HA 0.094 4.623 4.527 0.003 0.000 0.296 143 F C 2.552 178.253 175.800 -0.164 0.000 1.091 143 F CA 0.695 58.565 58.000 -0.217 0.000 1.399 143 F CB -1.327 37.580 39.000 -0.154 0.000 1.067 143 F HN -0.075 nan 8.300 nan 0.000 0.520 144 G N 0.608 109.411 108.800 0.005 0.000 2.552 144 G HA2 -0.269 3.693 3.960 0.003 0.000 0.216 144 G HA3 -0.269 3.693 3.960 0.003 0.000 0.216 144 G C 1.942 176.806 174.900 -0.059 0.000 1.240 144 G CA 1.063 46.149 45.100 -0.024 0.000 0.796 144 G HN 0.390 nan 8.290 nan 0.000 0.568 145 A N 0.289 123.045 122.820 -0.106 0.000 1.971 145 A HA -0.089 4.232 4.320 0.003 0.000 0.222 145 A C 2.479 180.008 177.584 -0.091 0.000 1.182 145 A CA 1.716 53.695 52.037 -0.097 0.000 0.649 145 A CB -0.466 18.461 19.000 -0.122 0.000 0.818 145 A HN 0.386 nan 8.150 nan 0.000 0.458 146 L N -1.440 119.706 121.223 -0.128 0.000 2.027 146 L HA -0.159 4.183 4.340 0.003 0.000 0.206 146 L C 3.007 179.840 176.870 -0.062 0.000 1.074 146 L CA 1.295 56.064 54.840 -0.118 0.000 0.745 146 L CB -0.583 41.373 42.059 -0.173 0.000 0.898 146 L HN 0.466 nan 8.230 nan 0.000 0.433 147 A N -0.408 122.387 122.820 -0.042 0.000 2.167 147 A HA -0.078 4.243 4.320 0.003 0.000 0.214 147 A C 0.575 178.143 177.584 -0.026 0.000 1.151 147 A CA 0.640 52.660 52.037 -0.028 0.000 0.735 147 A CB -0.566 18.425 19.000 -0.016 0.000 0.802 147 A HN 0.544 nan 8.150 nan 0.000 0.467 148 N N -0.275 118.408 118.700 -0.028 0.000 2.904 148 N HA 0.437 5.179 4.740 0.003 0.000 0.257 148 N C 0.879 176.376 175.510 -0.022 0.000 1.363 148 N CA 0.089 53.125 53.050 -0.023 0.000 0.856 148 N CB 1.168 39.642 38.487 -0.022 0.000 1.166 148 N HN 0.338 nan 8.380 nan 0.000 0.499 149 G N 1.522 110.310 108.800 -0.020 0.000 2.698 149 G HA2 -0.443 3.518 3.960 0.003 0.000 0.337 149 G HA3 -0.443 3.518 3.960 0.003 0.000 0.337 149 G C 0.124 175.019 174.900 -0.009 0.000 1.286 149 G CA 0.621 45.713 45.100 -0.014 0.000 1.000 149 G HN 0.627 nan 8.290 nan 0.000 0.547 150 Q N -2.041 117.757 119.800 -0.002 0.000 2.470 150 Q HA -0.167 4.175 4.340 0.003 0.000 0.290 150 Q C 1.478 177.493 176.000 0.025 0.000 1.353 150 Q CA 0.455 56.261 55.803 0.005 0.000 0.787 150 Q CB -1.638 27.095 28.738 -0.008 0.000 1.158 150 Q HN 0.842 nan 8.270 nan 0.000 0.426 151 V N -0.252 119.682 119.914 0.033 0.000 2.252 151 V HA -0.360 3.762 4.120 0.003 0.000 0.255 151 V C 1.919 178.062 176.094 0.081 0.000 1.071 151 V CA 2.580 64.915 62.300 0.057 0.000 1.050 151 V CB -0.349 31.499 31.823 0.041 0.000 0.654 151 V HN 0.538 nan 8.190 nan 0.000 0.448 152 L N -0.141 121.120 121.223 0.064 0.000 2.017 152 L HA -0.076 4.265 4.340 0.003 0.000 0.208 152 L C -0.063 176.885 176.870 0.131 0.000 1.073 152 L CA 2.514 57.405 54.840 0.085 0.000 0.745 152 L CB -1.653 40.439 42.059 0.055 0.000 0.894 152 L HN 0.326 nan 8.230 nan 0.000 0.432 153 P HA -0.074 nan 4.420 nan 0.000 0.219 153 P C 1.675 179.110 177.300 0.225 0.000 1.150 153 P CA 1.182 64.351 63.100 0.115 0.000 0.814 153 P CB -0.062 31.648 31.700 0.017 0.000 0.787 154 T N 0.050 114.708 114.554 0.173 0.000 2.580 154 T HA -0.193 4.159 4.350 0.003 0.000 0.265 154 T C 1.718 176.630 174.700 0.354 0.000 1.063 154 T CA 1.333 63.578 62.100 0.240 0.000 1.170 154 T CB -1.018 67.948 68.868 0.164 0.000 0.863 154 T HN -0.000 nan 8.240 nan 0.000 0.418 155 I N 0.257 120.993 120.570 0.277 0.000 2.103 155 I HA -0.293 3.878 4.170 0.003 0.000 0.241 155 I C 2.101 178.403 176.117 0.309 0.000 1.036 155 I CA 2.118 63.580 61.300 0.270 0.000 1.300 155 I CB -0.455 37.673 38.000 0.214 0.000 1.010 155 I HN 0.270 nan 8.210 nan 0.000 0.406 156 F N 0.941 121.002 119.950 0.185 0.000 2.095 156 F HA -0.340 4.189 4.527 0.004 0.000 0.298 156 F C 2.261 178.164 175.800 0.171 0.000 1.104 156 F CA 1.911 60.008 58.000 0.163 0.000 1.232 156 F CB -0.486 38.595 39.000 0.135 0.000 0.987 156 F HN 0.038 nan 8.300 nan 0.000 0.475 157 F N 1.001 121.154 119.950 0.339 0.000 2.113 157 F HA -0.025 4.503 4.527 0.002 0.000 0.297 157 F C 2.348 178.197 175.800 0.082 0.000 1.103 157 F CA 1.472 59.576 58.000 0.173 0.000 1.248 157 F CB -1.050 38.081 39.000 0.218 0.000 0.999 157 F HN 0.019 nan 8.300 nan 0.000 0.475 158 A N 1.071 124.059 122.820 0.280 0.000 1.917 158 A HA -0.220 4.101 4.320 0.003 0.000 0.219 158 A C 2.292 179.763 177.584 -0.188 0.000 1.182 158 A CA 2.207 54.301 52.037 0.095 0.000 0.633 158 A CB -1.368 17.773 19.000 0.234 0.000 0.819 158 A HN 0.549 nan 8.150 nan 0.000 0.448 159 I N -0.351 120.133 120.570 -0.143 0.000 2.069 159 I HA -0.284 3.887 4.170 0.003 0.000 0.237 159 I C 2.226 178.128 176.117 -0.358 0.000 1.053 159 I CA 1.314 62.477 61.300 -0.229 0.000 1.311 159 I CB -0.319 37.561 38.000 -0.200 0.000 1.030 159 I HN 0.239 nan 8.210 nan 0.000 0.398 160 I N 0.114 120.398 120.570 -0.477 0.000 2.248 160 I HA -0.287 3.885 4.170 0.003 0.000 0.248 160 I C 2.421 178.246 176.117 -0.488 0.000 1.107 160 I CA 1.582 62.583 61.300 -0.498 0.000 1.373 160 I CB -1.304 36.377 38.000 -0.530 0.000 1.055 160 I HN 0.264 nan 8.210 nan 0.000 0.418 161 L N 1.189 122.028 121.223 -0.639 0.000 1.988 161 L HA -0.042 4.300 4.340 0.003 0.000 0.207 161 L C 2.488 179.169 176.870 -0.314 0.000 1.071 161 L CA 2.267 56.802 54.840 -0.508 0.000 0.744 161 L CB -1.343 40.375 42.059 -0.569 0.000 0.893 161 L HN 0.243 nan 8.230 nan 0.000 0.433 162 G N -0.591 108.028 108.800 -0.303 0.000 2.485 162 G HA2 -0.267 3.695 3.960 0.003 0.000 0.221 162 G HA3 -0.267 3.695 3.960 0.003 0.000 0.221 162 G C 1.623 176.408 174.900 -0.192 0.000 1.115 162 G CA 1.316 46.281 45.100 -0.225 0.000 0.751 162 G HN 0.482 nan 8.290 nan 0.000 0.567 163 I N 0.669 121.094 120.570 -0.241 0.000 2.339 163 I HA 0.001 4.172 4.170 0.003 0.000 0.245 163 I C 3.205 179.158 176.117 -0.273 0.000 1.096 163 I CA 0.744 61.892 61.300 -0.254 0.000 1.408 163 I CB -0.122 37.675 38.000 -0.339 0.000 1.092 163 I HN 0.214 nan 8.210 nan 0.000 0.423 164 A N 1.034 123.684 122.820 -0.284 0.000 1.948 164 A HA -0.218 4.103 4.320 0.003 0.000 0.220 164 A C 2.262 179.800 177.584 -0.077 0.000 1.177 164 A CA 1.601 53.514 52.037 -0.206 0.000 0.636 164 A CB -0.892 18.004 19.000 -0.173 0.000 0.815 164 A HN 0.412 nan 8.150 nan 0.000 0.449 165 I N -1.200 119.321 120.570 -0.081 0.000 2.142 165 I HA -0.229 3.943 4.170 0.003 0.000 0.240 165 I C 2.685 178.811 176.117 0.014 0.000 1.078 165 I CA 1.769 63.049 61.300 -0.032 0.000 1.343 165 I CB -0.822 37.145 38.000 -0.055 0.000 1.046 165 I HN 0.260 nan 8.210 nan 0.000 0.405 166 T N 0.146 114.714 114.554 0.023 0.000 2.624 166 T HA -0.253 4.099 4.350 0.003 0.000 0.268 166 T C 1.798 176.598 174.700 0.167 0.000 1.041 166 T CA 1.894 64.044 62.100 0.084 0.000 1.159 166 T CB -0.375 68.551 68.868 0.097 0.000 0.863 166 T HN 0.208 nan 8.240 nan 0.000 0.434 167 Y N 0.911 121.176 120.300 -0.058 0.000 2.333 167 Y HA 0.080 4.632 4.550 0.003 0.000 0.290 167 Y C 2.185 178.063 175.900 -0.036 0.000 1.144 167 Y CA 0.041 58.113 58.100 -0.046 0.000 1.228 167 Y CB -0.650 37.781 38.460 -0.048 0.000 0.985 167 Y HN 0.215 nan 8.280 nan 0.000 0.542 168 L N -1.155 120.148 121.223 0.133 0.000 2.093 168 L HA -0.241 4.100 4.340 0.003 0.000 0.208 168 L C 2.236 179.127 176.870 0.034 0.000 1.085 168 L CA 1.186 56.065 54.840 0.065 0.000 0.755 168 L CB -0.407 41.676 42.059 0.040 0.000 0.904 168 L HN 0.273 nan 8.230 nan 0.000 0.435 169 M N -0.518 119.099 119.600 0.028 0.000 2.229 169 M HA -0.125 4.357 4.480 0.003 0.000 0.264 169 M C 0.602 176.897 176.300 -0.008 0.000 1.063 169 M CA 1.182 56.486 55.300 0.007 0.000 1.114 169 M CB -0.306 32.296 32.600 0.003 0.000 1.387 169 M HN 0.222 nan 8.290 nan 0.000 0.420 170 N N 1.293 119.980 118.700 -0.021 0.000 2.389 170 N HA 0.140 4.882 4.740 0.003 0.000 0.237 170 N C 0.004 175.488 175.510 -0.044 0.000 1.148 170 N CA 0.109 53.130 53.050 -0.048 0.000 0.854 170 N CB -0.382 38.049 38.487 -0.093 0.000 1.115 170 N HN 0.231 nan 8.380 nan 0.000 0.492 171 S N -0.049 115.639 115.700 -0.019 0.000 2.584 171 S HA 0.467 4.939 4.470 0.003 0.000 0.273 171 S C 1.506 176.097 174.600 -0.015 0.000 1.311 171 S CA -0.021 58.172 58.200 -0.013 0.000 1.034 171 S CB 0.402 63.604 63.200 0.004 0.000 0.939 171 S HN 0.342 nan 8.310 nan 0.000 0.513 172 E N 1.913 122.104 120.200 -0.015 0.000 2.051 172 E HA -0.141 4.210 4.350 0.003 0.000 0.192 172 E C 0.985 177.580 176.600 -0.007 0.000 0.991 172 E CA 1.332 57.725 56.400 -0.013 0.000 0.799 172 E CB -0.753 28.940 29.700 -0.012 0.000 0.748 172 E HN 0.817 nan 8.360 nan 0.000 0.449 173 N N 1.167 119.866 118.700 -0.003 0.000 2.412 173 N HA -0.052 4.690 4.740 0.003 0.000 0.258 173 N C 0.079 175.589 175.510 0.001 0.000 1.236 173 N CA 0.325 53.375 53.050 0.001 0.000 0.882 173 N CB 1.012 39.502 38.487 0.005 0.000 1.066 173 N HN 0.234 nan 8.380 nan 0.000 0.465 174 E N 2.405 122.605 120.200 0.001 0.000 2.501 174 E HA -0.009 4.342 4.350 0.003 0.000 0.201 174 E C 0.691 177.293 176.600 0.004 0.000 1.016 174 E CA 0.005 56.406 56.400 0.001 0.000 0.920 174 E CB 0.273 29.973 29.700 -0.001 0.000 1.023 174 E HN 0.703 nan 8.360 nan 0.000 0.474 175 K N 1.246 121.650 120.400 0.006 0.000 2.128 175 K HA -0.008 4.313 4.320 0.003 0.000 0.202 175 K C 2.173 178.779 176.600 0.011 0.000 1.050 175 K CA 0.986 57.278 56.287 0.009 0.000 0.966 175 K CB -0.037 32.468 32.500 0.009 0.000 0.759 175 K HN 0.004 nan 8.250 nan 0.000 0.454 176 V N 1.593 121.514 119.914 0.012 0.000 2.219 176 V HA -0.317 3.805 4.120 0.003 0.000 0.248 176 V C 2.622 178.724 176.094 0.013 0.000 1.053 176 V CA 3.524 65.833 62.300 0.015 0.000 1.009 176 V CB -1.675 30.157 31.823 0.015 0.000 0.636 176 V HN 0.460 nan 8.190 nan 0.000 0.445 177 R N 0.154 120.659 120.500 0.009 0.000 2.241 177 R HA 0.046 4.387 4.340 0.003 0.000 0.224 177 R C 2.388 178.691 176.300 0.006 0.000 1.101 177 R CA 2.619 58.723 56.100 0.006 0.000 0.995 177 R CB -1.683 28.617 30.300 0.000 0.000 0.870 177 R HN 0.966 nan 8.270 nan 0.000 0.463 178 K N 0.620 121.024 120.400 0.007 0.000 1.975 178 K HA -0.075 4.247 4.320 0.003 0.000 0.210 178 K C 2.578 179.185 176.600 0.011 0.000 1.041 178 K CA 1.794 58.086 56.287 0.008 0.000 0.942 178 K CB -1.226 31.279 32.500 0.008 0.000 0.729 178 K HN 0.676 nan 8.250 nan 0.000 0.439 179 S N 1.254 116.963 115.700 0.015 0.000 2.374 179 S HA -0.106 4.366 4.470 0.003 0.000 0.227 179 S C 2.508 177.120 174.600 0.020 0.000 1.037 179 S CA 1.458 59.669 58.200 0.020 0.000 1.024 179 S CB -0.733 62.481 63.200 0.023 0.000 0.861 179 S HN 0.833 nan 8.310 nan 0.000 0.456 180 A N 1.852 124.682 122.820 0.018 0.000 1.877 180 A HA -0.005 4.317 4.320 0.003 0.000 0.216 180 A C 2.360 179.950 177.584 0.010 0.000 1.186 180 A CA 2.197 54.243 52.037 0.015 0.000 0.620 180 A CB -1.538 17.471 19.000 0.014 0.000 0.822 180 A HN 0.711 nan 8.150 nan 0.000 0.443 181 E N -0.692 119.512 120.200 0.007 0.000 2.150 181 E HA -0.109 4.242 4.350 0.003 0.000 0.193 181 E C 1.964 178.568 176.600 0.007 0.000 0.985 181 E CA 1.829 58.231 56.400 0.003 0.000 0.814 181 E CB -1.632 28.068 29.700 0.001 0.000 0.752 181 E HN 0.676 nan 8.360 nan 0.000 0.466 182 T N 0.833 115.394 114.554 0.012 0.000 2.580 182 T HA -0.184 4.168 4.350 0.003 0.000 0.265 182 T C 2.070 176.784 174.700 0.022 0.000 1.063 182 T CA 1.660 63.770 62.100 0.017 0.000 1.170 182 T CB -0.561 68.319 68.868 0.020 0.000 0.863 182 T HN 0.361 nan 8.240 nan 0.000 0.418 183 L N 1.140 122.379 121.223 0.027 0.000 1.971 183 L HA -0.073 4.269 4.340 0.003 0.000 0.215 183 L C 2.358 179.242 176.870 0.024 0.000 1.072 183 L CA 1.699 56.561 54.840 0.037 0.000 0.758 183 L CB -0.976 41.109 42.059 0.044 0.000 0.889 183 L HN 0.252 nan 8.230 nan 0.000 0.433 184 L N -0.456 120.770 121.223 0.006 0.000 2.197 184 L HA -0.273 4.069 4.340 0.003 0.000 0.215 184 L C 2.058 178.924 176.870 -0.006 0.000 1.095 184 L CA 2.049 56.881 54.840 -0.014 0.000 0.764 184 L CB -0.774 41.272 42.059 -0.022 0.000 0.897 184 L HN 0.459 nan 8.230 nan 0.000 0.436 185 D N -0.427 119.977 120.400 0.006 0.000 2.084 185 D HA -0.133 4.508 4.640 0.003 0.000 0.199 185 D C 2.164 178.477 176.300 0.023 0.000 0.981 185 D CA 1.447 55.454 54.000 0.012 0.000 0.841 185 D CB -0.104 40.704 40.800 0.013 0.000 0.997 185 D HN 0.480 nan 8.370 nan 0.000 0.454 186 A N 1.515 124.354 122.820 0.031 0.000 1.903 186 A HA -0.224 4.097 4.320 0.003 0.000 0.219 186 A C 2.389 180.004 177.584 0.051 0.000 1.191 186 A CA 1.352 53.415 52.037 0.043 0.000 0.638 186 A CB -1.004 18.026 19.000 0.051 0.000 0.823 186 A HN 0.248 nan 8.150 nan 0.000 0.451 187 I N -0.507 120.090 120.570 0.046 0.000 2.151 187 I HA -0.320 3.851 4.170 0.003 0.000 0.243 187 I C 2.460 178.591 176.117 0.024 0.000 1.080 187 I CA 1.973 63.293 61.300 0.033 0.000 1.339 187 I CB -0.503 37.480 38.000 -0.028 0.000 1.039 187 I HN 0.461 nan 8.210 nan 0.000 0.409 188 N N 1.116 119.826 118.700 0.017 0.000 2.188 188 N HA -0.120 4.622 4.740 0.003 0.000 0.184 188 N C 1.868 177.414 175.510 0.061 0.000 1.018 188 N CA 1.500 54.571 53.050 0.036 0.000 0.858 188 N CB -0.372 38.128 38.487 0.021 0.000 0.989 188 N HN 0.311 nan 8.380 nan 0.000 0.426 189 G N 0.720 109.551 108.800 0.051 0.000 2.476 189 G HA2 -0.256 3.705 3.960 0.003 0.000 0.218 189 G HA3 -0.256 3.705 3.960 0.003 0.000 0.218 189 G C 1.392 176.333 174.900 0.069 0.000 1.164 189 G CA 1.057 46.191 45.100 0.056 0.000 0.768 189 G HN 0.328 nan 8.290 nan 0.000 0.560 190 L N 1.421 122.687 121.223 0.070 0.000 1.961 190 L HA 0.162 4.504 4.340 0.003 0.000 0.210 190 L C 3.234 180.149 176.870 0.075 0.000 1.072 190 L CA 2.238 57.122 54.840 0.073 0.000 0.749 190 L CB -1.257 40.856 42.059 0.090 0.000 0.889 190 L HN 0.285 nan 8.230 nan 0.000 0.432 191 A N -0.815 122.056 122.820 0.085 0.000 1.896 191 A HA -0.346 3.976 4.320 0.003 0.000 0.220 191 A C 2.220 179.950 177.584 0.243 0.000 1.206 191 A CA 2.267 54.369 52.037 0.108 0.000 0.647 191 A CB -0.985 18.112 19.000 0.162 0.000 0.828 191 A HN 0.545 nan 8.150 nan 0.000 0.455 192 E N -0.435 119.927 120.200 0.271 0.000 2.049 192 E HA -0.145 4.207 4.350 0.003 0.000 0.198 192 E C 2.274 179.010 176.600 0.227 0.000 1.007 192 E CA 1.740 58.316 56.400 0.294 0.000 0.809 192 E CB -0.644 29.145 29.700 0.148 0.000 0.749 192 E HN 0.561 nan 8.360 nan 0.000 0.450 193 A N -0.053 122.842 122.820 0.126 0.000 1.940 193 A HA -0.220 4.101 4.320 0.003 0.000 0.219 193 A C 2.043 179.664 177.584 0.062 0.000 1.176 193 A CA 2.036 54.123 52.037 0.083 0.000 0.631 193 A CB -0.461 18.573 19.000 0.056 0.000 0.814 193 A HN 0.193 nan 8.150 nan 0.000 0.446 194 M N -1.372 118.236 119.600 0.014 0.000 2.086 194 M HA -0.113 4.369 4.480 0.003 0.000 0.261 194 M C 2.020 178.283 176.300 -0.063 0.000 1.067 194 M CA 1.135 56.390 55.300 -0.074 0.000 1.116 194 M CB -1.824 30.659 32.600 -0.194 0.000 1.348 194 M HN 0.564 nan 8.290 nan 0.000 0.407 195 Y N 0.707 121.030 120.300 0.038 0.000 2.256 195 Y HA -0.281 4.271 4.550 0.003 0.000 0.288 195 Y C 2.718 178.632 175.900 0.022 0.000 1.155 195 Y CA 2.216 60.334 58.100 0.030 0.000 1.203 195 Y CB -0.943 37.539 38.460 0.036 0.000 0.980 195 Y HN 0.415 nan 8.280 nan 0.000 0.530 196 K N 0.949 121.455 120.400 0.177 0.000 2.057 196 K HA -0.111 4.211 4.320 0.003 0.000 0.207 196 K C 1.614 178.258 176.600 0.073 0.000 1.049 196 K CA 1.962 58.312 56.287 0.105 0.000 0.931 196 K CB -1.375 31.174 32.500 0.081 0.000 0.714 196 K HN 0.542 nan 8.250 nan 0.000 0.440 197 I N 0.448 121.051 120.570 0.056 0.000 2.500 197 I HA -0.081 4.091 4.170 0.003 0.000 0.252 197 I C 2.472 178.613 176.117 0.040 0.000 1.142 197 I CA 0.852 62.174 61.300 0.036 0.000 1.451 197 I CB -0.208 37.801 38.000 0.014 0.000 1.093 197 I HN 0.169 nan 8.210 nan 0.000 0.430 198 V N 1.937 121.875 119.914 0.039 0.000 2.568 198 V HA -0.234 3.888 4.120 0.003 0.000 0.253 198 V C 2.168 178.306 176.094 0.073 0.000 1.072 198 V CA 2.062 64.389 62.300 0.045 0.000 1.084 198 V CB -0.683 31.159 31.823 0.030 0.000 0.676 198 V HN 0.435 nan 8.190 nan 0.000 0.469 199 N N 1.342 120.087 118.700 0.074 0.000 2.084 199 N HA -0.086 4.655 4.740 0.003 0.000 0.190 199 N C 1.851 177.403 175.510 0.071 0.000 1.030 199 N CA 1.848 54.939 53.050 0.067 0.000 0.849 199 N CB -0.836 37.685 38.487 0.056 0.000 1.012 199 N HN 0.625 nan 8.380 nan 0.000 0.423 200 G N 1.454 110.294 108.800 0.066 0.000 2.404 200 G HA2 -0.156 3.806 3.960 0.003 0.000 0.215 200 G HA3 -0.156 3.806 3.960 0.003 0.000 0.215 200 G C 1.773 176.735 174.900 0.104 0.000 1.174 200 G CA 1.303 46.444 45.100 0.069 0.000 0.780 200 G HN 0.345 nan 8.290 nan 0.000 0.537 201 V N 0.614 120.594 119.914 0.109 0.000 2.828 201 V HA -0.045 4.077 4.120 0.003 0.000 0.260 201 V C 2.558 178.830 176.094 0.296 0.000 1.101 201 V CA 2.409 64.813 62.300 0.173 0.000 1.123 201 V CB -0.357 31.525 31.823 0.099 0.000 0.704 201 V HN 0.256 nan 8.190 nan 0.000 0.493 202 M N -1.256 118.473 119.600 0.215 0.000 2.476 202 M HA -0.029 4.453 4.480 0.003 0.000 0.262 202 M C 2.102 178.491 176.300 0.149 0.000 1.079 202 M CA 0.934 56.361 55.300 0.213 0.000 1.104 202 M CB -0.312 32.367 32.600 0.132 0.000 1.409 202 M HN 0.577 nan 8.290 nan 0.000 0.467 203 Q N -1.084 118.800 119.800 0.141 0.000 2.170 203 Q HA -0.138 4.204 4.340 0.003 0.000 0.203 203 Q C 1.745 177.815 176.000 0.117 0.000 0.976 203 Q CA 1.375 57.239 55.803 0.101 0.000 0.858 203 Q CB -0.527 28.269 28.738 0.097 0.000 0.907 203 Q HN 0.548 nan 8.270 nan 0.000 0.433 204 Y N -0.089 120.236 120.300 0.043 0.000 2.395 204 Y HA 0.052 4.603 4.550 0.003 0.000 0.293 204 Y C 1.894 177.688 175.900 -0.177 0.000 1.123 204 Y CA 0.631 58.736 58.100 0.008 0.000 1.227 204 Y CB -0.440 38.110 38.460 0.151 0.000 1.012 204 Y HN 0.105 nan 8.280 nan 0.000 0.552 205 A N 1.523 124.188 122.820 -0.257 0.000 1.940 205 A HA -0.262 4.060 4.320 0.003 0.000 0.221 205 A C 0.001 177.258 177.584 -0.545 0.000 1.190 205 A CA 2.228 53.840 52.037 -0.707 0.000 0.647 205 A CB -2.083 16.764 19.000 -0.256 0.000 0.821 205 A HN 0.446 nan 8.150 nan 0.000 0.457 206 P HA -0.143 nan 4.420 nan 0.000 0.215 206 P C 1.348 178.487 177.300 -0.267 0.000 1.153 206 P CA 1.323 64.276 63.100 -0.244 0.000 0.853 206 P CB -0.186 31.403 31.700 -0.185 0.000 0.788 207 I N 0.413 120.732 120.570 -0.419 0.000 2.133 207 I HA -0.100 4.072 4.170 0.003 0.000 0.238 207 I C 2.906 178.781 176.117 -0.403 0.000 1.074 207 I CA 1.950 62.991 61.300 -0.431 0.000 1.342 207 I CB -1.802 35.751 38.000 -0.746 0.000 1.053 207 I HN -0.048 nan 8.210 nan 0.000 0.404 208 G N 0.607 108.954 108.800 -0.756 0.000 2.574 208 G HA2 -0.268 3.694 3.960 0.003 0.000 0.220 208 G HA3 -0.268 3.694 3.960 0.003 0.000 0.220 208 G C 1.768 176.476 174.900 -0.321 0.000 1.173 208 G CA 1.598 46.386 45.100 -0.520 0.000 0.772 208 G HN 0.278 nan 8.290 nan 0.000 0.585 209 V N 0.503 120.177 119.914 -0.400 0.000 2.261 209 V HA -0.127 3.995 4.120 0.003 0.000 0.246 209 V C 2.321 178.417 176.094 0.002 0.000 1.047 209 V CA 2.035 64.253 62.300 -0.137 0.000 1.015 209 V CB -0.736 31.021 31.823 -0.110 0.000 0.642 209 V HN 0.442 nan 8.190 nan 0.000 0.446 210 F N 1.538 121.414 119.950 -0.122 0.000 2.087 210 F HA -0.330 4.198 4.527 0.003 0.000 0.299 210 F C 2.238 178.039 175.800 0.002 0.000 1.100 210 F CA 2.210 60.175 58.000 -0.059 0.000 1.226 210 F CB -0.418 38.525 39.000 -0.095 0.000 0.983 210 F HN 0.099 nan 8.300 nan 0.000 0.479 211 A N 0.497 123.236 122.820 -0.134 0.000 1.969 211 A HA -0.078 4.244 4.320 0.003 0.000 0.218 211 A C 2.297 179.844 177.584 -0.062 0.000 1.169 211 A CA 1.519 53.474 52.037 -0.138 0.000 0.635 211 A CB -0.996 18.075 19.000 0.118 0.000 0.810 211 A HN 0.555 nan 8.150 nan 0.000 0.445 212 L N -0.572 120.653 121.223 0.002 0.000 2.072 212 L HA -0.151 4.191 4.340 0.003 0.000 0.205 212 L C 2.310 179.217 176.870 0.062 0.000 1.079 212 L CA 1.491 56.372 54.840 0.067 0.000 0.752 212 L CB -0.454 41.672 42.059 0.112 0.000 0.906 212 L HN 0.548 nan 8.230 nan 0.000 0.436 213 I N -1.929 118.652 120.570 0.019 0.000 2.716 213 I HA 0.029 4.200 4.170 0.003 0.000 0.259 213 I C 2.618 178.714 176.117 -0.036 0.000 1.172 213 I CA 1.010 62.321 61.300 0.019 0.000 1.478 213 I CB -1.115 36.927 38.000 0.069 0.000 1.104 213 I HN -0.021 nan 8.210 nan 0.000 0.439 214 A N 0.910 123.646 122.820 -0.141 0.000 1.903 214 A HA -0.287 4.035 4.320 0.003 0.000 0.219 214 A C 2.399 179.979 177.584 -0.006 0.000 1.191 214 A CA 2.242 54.168 52.037 -0.186 0.000 0.638 214 A CB -1.277 17.457 19.000 -0.444 0.000 0.823 214 A HN 0.555 nan 8.150 nan 0.000 0.451 215 Y N 0.782 121.025 120.300 -0.094 0.000 2.060 215 Y HA -0.179 4.373 4.550 0.003 0.000 0.276 215 Y C 2.514 178.405 175.900 -0.015 0.000 1.127 215 Y CA 1.878 59.955 58.100 -0.039 0.000 1.104 215 Y CB -0.878 37.556 38.460 -0.043 0.000 0.983 215 Y HN 0.052 nan 8.280 nan 0.000 0.483 216 V N 0.164 119.966 119.914 -0.187 0.000 2.453 216 V HA -0.379 3.743 4.120 0.003 0.000 0.252 216 V C 2.366 178.342 176.094 -0.197 0.000 1.068 216 V CA 2.105 64.235 62.300 -0.284 0.000 1.070 216 V CB -0.886 30.859 31.823 -0.130 0.000 0.664 216 V HN 0.396 nan 8.190 nan 0.000 0.461 217 M N 0.657 120.196 119.600 -0.102 0.000 2.064 217 M HA 0.095 4.577 4.480 0.003 0.000 0.260 217 M C 1.886 178.163 176.300 -0.038 0.000 1.073 217 M CA 1.709 56.979 55.300 -0.051 0.000 1.124 217 M CB -1.132 31.459 32.600 -0.015 0.000 1.326 217 M HN 0.288 nan 8.290 nan 0.000 0.410 218 A N -0.517 122.285 122.820 -0.029 0.000 2.305 218 A HA 0.033 4.354 4.320 0.003 0.000 0.236 218 A C 1.478 179.053 177.584 -0.015 0.000 1.392 218 A CA 0.819 52.874 52.037 0.029 0.000 1.205 218 A CB -0.654 18.397 19.000 0.085 0.000 0.881 218 A HN 0.555 nan 8.150 nan 0.000 0.558 219 E N -1.948 118.193 120.200 -0.097 0.000 3.407 219 E HA -0.002 4.349 4.350 0.003 0.000 0.276 219 E C 1.188 177.694 176.600 -0.158 0.000 1.206 219 E CA 0.280 56.572 56.400 -0.180 0.000 1.953 219 E CB -0.102 29.253 29.700 -0.576 0.000 2.046 219 E HN 0.649 nan 8.360 nan 0.000 0.950 220 Q N 0.055 119.730 119.800 -0.209 0.000 2.378 220 Q HA 0.199 4.541 4.340 0.003 0.000 0.216 220 Q C 1.705 177.684 176.000 -0.035 0.000 0.892 220 Q CA 0.611 56.305 55.803 -0.180 0.000 0.931 220 Q CB 0.859 29.474 28.738 -0.204 0.000 1.086 220 Q HN 0.221 nan 8.270 nan 0.000 0.528 221 G N 1.357 110.143 108.800 -0.023 0.000 2.402 221 G HA2 -0.158 3.803 3.960 0.003 0.000 0.216 221 G HA3 -0.158 3.803 3.960 0.003 0.000 0.216 221 G C 1.243 176.186 174.900 0.072 0.000 1.162 221 G CA 0.911 46.018 45.100 0.012 0.000 0.777 221 G HN 0.352 nan 8.290 nan 0.000 0.539 222 V N -0.104 119.884 119.914 0.123 0.000 3.299 222 V HA 0.331 4.453 4.120 0.003 0.000 0.369 222 V C 1.018 177.164 176.094 0.087 0.000 1.245 222 V CA 0.705 63.088 62.300 0.138 0.000 1.459 222 V CB -0.967 30.948 31.823 0.154 0.000 1.203 222 V HN 0.539 nan 8.190 nan 0.000 0.451 223 H N -0.563 118.506 119.070 -0.001 0.000 3.861 223 H HA 0.141 4.699 4.556 0.003 0.000 0.266 223 H C -0.094 175.224 175.328 -0.018 0.000 1.134 223 H CA 0.353 56.392 56.048 -0.014 0.000 1.195 223 H CB 1.548 31.291 29.762 -0.032 0.000 1.552 223 H HN 0.372 nan 8.280 nan 0.000 0.840 224 V N 3.018 122.984 119.914 0.087 0.000 2.229 224 V HA 0.405 4.527 4.120 0.003 0.000 0.245 224 V C 0.591 176.697 176.094 0.020 0.000 1.243 224 V CA 0.048 62.366 62.300 0.030 0.000 1.176 224 V CB -0.038 31.782 31.823 -0.005 0.000 1.323 224 V HN 0.235 nan 8.190 nan 0.000 0.499 225 V N 2.516 122.444 119.914 0.023 0.000 3.049 225 V HA 0.986 5.107 4.120 0.003 0.000 0.309 225 V C 0.737 176.850 176.094 0.030 0.000 1.148 225 V CA -0.180 62.132 62.300 0.020 0.000 0.990 225 V CB 1.637 33.466 31.823 0.009 0.000 1.039 225 V HN 0.924 nan 8.190 nan 0.000 0.430 226 G N 1.503 110.324 108.800 0.035 0.000 2.611 226 G HA2 -0.239 3.723 3.960 0.003 0.000 0.301 226 G HA3 -0.239 3.723 3.960 0.003 0.000 0.301 226 G C 0.764 175.705 174.900 0.069 0.000 1.233 226 G CA 0.743 45.873 45.100 0.050 0.000 0.993 226 G HN 1.220 nan 8.290 nan 0.000 0.553 227 E N 0.346 120.604 120.200 0.097 0.000 2.265 227 E HA -0.019 4.333 4.350 0.003 0.000 0.196 227 E C 2.805 179.485 176.600 0.134 0.000 0.996 227 E CA 1.030 57.520 56.400 0.150 0.000 0.832 227 E CB -0.104 29.723 29.700 0.211 0.000 0.756 227 E HN 0.506 nan 8.360 nan 0.000 0.491 228 L N 0.010 121.275 121.223 0.069 0.000 2.072 228 L HA -0.113 4.228 4.340 0.003 0.000 0.205 228 L C 2.539 179.394 176.870 -0.025 0.000 1.079 228 L CA 0.962 55.792 54.840 -0.016 0.000 0.752 228 L CB -0.498 41.557 42.059 -0.008 0.000 0.906 228 L HN 0.057 nan 8.230 nan 0.000 0.436 229 A N -0.132 122.689 122.820 0.002 0.000 1.933 229 A HA -0.225 4.096 4.320 0.003 0.000 0.218 229 A C 2.352 179.927 177.584 -0.015 0.000 1.175 229 A CA 1.567 53.596 52.037 -0.012 0.000 0.628 229 A CB -0.356 18.646 19.000 0.004 0.000 0.814 229 A HN 0.258 nan 8.150 nan 0.000 0.444 230 K N -0.728 119.690 120.400 0.029 0.000 2.009 230 K HA -0.118 4.204 4.320 0.003 0.000 0.210 230 K C 1.963 178.546 176.600 -0.029 0.000 1.049 230 K CA 1.573 57.892 56.287 0.052 0.000 0.929 230 K CB -0.526 32.056 32.500 0.138 0.000 0.714 230 K HN 0.284 nan 8.250 nan 0.000 0.440 231 V N 1.194 121.103 119.914 -0.008 0.000 2.343 231 V HA -0.246 3.876 4.120 0.003 0.000 0.247 231 V C 1.884 177.921 176.094 -0.095 0.000 1.051 231 V CA 2.201 64.469 62.300 -0.053 0.000 1.036 231 V CB -0.368 31.361 31.823 -0.158 0.000 0.654 231 V HN 0.459 nan 8.190 nan 0.000 0.451 232 T N 0.472 114.980 114.554 -0.076 0.000 2.684 232 T HA -0.185 4.167 4.350 0.003 0.000 0.267 232 T C 1.984 176.663 174.700 -0.034 0.000 1.036 232 T CA 1.708 63.798 62.100 -0.017 0.000 1.148 232 T CB -0.575 68.259 68.868 -0.057 0.000 0.863 232 T HN 0.664 nan 8.240 nan 0.000 0.436 233 A N 1.775 124.488 122.820 -0.180 0.000 1.851 233 A HA 0.055 4.377 4.320 0.003 0.000 0.216 233 A C 2.713 179.970 177.584 -0.545 0.000 1.195 233 A CA 2.132 53.978 52.037 -0.318 0.000 0.622 233 A CB -1.381 17.386 19.000 -0.388 0.000 0.831 233 A HN 0.525 nan 8.150 nan 0.000 0.444 234 A N -0.827 121.486 122.820 -0.844 0.000 1.997 234 A HA -0.052 4.270 4.320 0.003 0.000 0.221 234 A C 2.228 179.693 177.584 -0.198 0.000 1.172 234 A CA 2.075 53.716 52.037 -0.660 0.000 0.645 234 A CB -0.918 17.886 19.000 -0.326 0.000 0.813 234 A HN 0.411 nan 8.150 nan 0.000 0.454 235 V N -1.969 117.893 119.914 -0.086 0.000 2.231 235 V HA -0.227 3.895 4.120 0.003 0.000 0.240 235 V C 2.269 178.379 176.094 0.027 0.000 1.039 235 V CA 1.928 64.236 62.300 0.012 0.000 0.998 235 V CB -1.100 30.782 31.823 0.098 0.000 0.639 235 V HN 0.613 nan 8.190 nan 0.000 0.451 236 Y N -0.280 119.988 120.300 -0.054 0.000 2.274 236 Y HA -0.187 4.365 4.550 0.003 0.000 0.290 236 Y C 2.507 178.400 175.900 -0.013 0.000 1.145 236 Y CA 1.674 59.768 58.100 -0.011 0.000 1.203 236 Y CB -0.609 37.850 38.460 -0.001 0.000 0.984 236 Y HN 0.033 nan 8.280 nan 0.000 0.533 237 V N -0.380 119.603 119.914 0.116 0.000 2.343 237 V HA -0.242 3.879 4.120 0.003 0.000 0.247 237 V C 2.342 178.475 176.094 0.065 0.000 1.051 237 V CA 2.308 64.664 62.300 0.094 0.000 1.036 237 V CB -1.064 30.840 31.823 0.136 0.000 0.654 237 V HN 0.514 nan 8.190 nan 0.000 0.451 238 G N -0.399 108.423 108.800 0.036 0.000 2.440 238 G HA2 -0.248 3.714 3.960 0.003 0.000 0.218 238 G HA3 -0.248 3.714 3.960 0.003 0.000 0.218 238 G C 1.539 176.433 174.900 -0.010 0.000 1.154 238 G CA 1.290 46.398 45.100 0.012 0.000 0.767 238 G HN 0.538 nan 8.290 nan 0.000 0.552 239 L N 0.219 121.423 121.223 -0.031 0.000 2.093 239 L HA -0.065 4.276 4.340 0.003 0.000 0.208 239 L C 3.168 180.021 176.870 -0.029 0.000 1.085 239 L CA 1.467 56.276 54.840 -0.052 0.000 0.755 239 L CB -0.764 41.213 42.059 -0.137 0.000 0.904 239 L HN 0.156 nan 8.230 nan 0.000 0.435 240 T N 0.077 114.628 114.554 -0.005 0.000 2.746 240 T HA -0.131 4.221 4.350 0.003 0.000 0.267 240 T C 1.761 176.430 174.700 -0.052 0.000 1.039 240 T CA 1.126 63.216 62.100 -0.017 0.000 1.142 240 T CB -0.151 68.728 68.868 0.019 0.000 0.866 240 T HN 0.045 nan 8.240 nan 0.000 0.444 241 L N 1.163 122.373 121.223 -0.021 0.000 2.465 241 L HA 0.058 4.400 4.340 0.003 0.000 0.224 241 L C 2.395 179.236 176.870 -0.049 0.000 1.145 241 L CA 1.109 55.936 54.840 -0.021 0.000 0.834 241 L CB -0.623 41.451 42.059 0.025 0.000 0.944 241 L HN 0.198 nan 8.230 nan 0.000 0.451 242 Q N -0.043 119.705 119.800 -0.087 0.000 2.049 242 Q HA -0.116 4.225 4.340 0.003 0.000 0.198 242 Q C 2.123 177.892 176.000 -0.385 0.000 0.971 242 Q CA 1.622 57.305 55.803 -0.200 0.000 0.833 242 Q CB -0.082 28.543 28.738 -0.187 0.000 0.896 242 Q HN 0.481 nan 8.270 nan 0.000 0.434 243 I N 0.083 120.514 120.570 -0.232 0.000 2.045 243 I HA -0.328 3.844 4.170 0.003 0.000 0.233 243 I C 2.204 178.199 176.117 -0.203 0.000 1.048 243 I CA 1.381 62.602 61.300 -0.132 0.000 1.313 243 I CB -0.527 37.415 38.000 -0.097 0.000 1.043 243 I HN 0.233 nan 8.210 nan 0.000 0.393 244 L N -0.062 120.995 121.223 -0.277 0.000 1.989 244 L HA -0.231 4.110 4.340 0.003 0.000 0.211 244 L C 2.573 179.411 176.870 -0.053 0.000 1.071 244 L CA 1.106 55.803 54.840 -0.240 0.000 0.749 244 L CB -0.696 41.246 42.059 -0.194 0.000 0.890 244 L HN 0.358 nan 8.230 nan 0.000 0.431 245 L N -0.529 120.655 121.223 -0.065 0.000 2.201 245 L HA -0.117 4.225 4.340 0.003 0.000 0.212 245 L C 2.054 178.855 176.870 -0.115 0.000 1.105 245 L CA 1.434 56.251 54.840 -0.039 0.000 0.775 245 L CB -0.185 41.886 42.059 0.020 0.000 0.913 245 L HN 0.160 nan 8.230 nan 0.000 0.440 246 V N -3.043 116.750 119.914 -0.202 0.000 2.948 246 V HA -0.090 4.032 4.120 0.003 0.000 0.234 246 V C 1.989 178.033 176.094 -0.083 0.000 1.205 246 V CA 0.140 62.264 62.300 -0.293 0.000 1.234 246 V CB -0.586 30.924 31.823 -0.522 0.000 1.020 246 V HN 0.141 nan 8.190 nan 0.000 0.491 247 Y N -0.268 120.038 120.300 0.009 0.000 2.092 247 Y HA -0.144 4.407 4.550 0.002 0.000 0.282 247 Y C 2.519 178.484 175.900 0.108 0.000 1.126 247 Y CA 1.881 60.002 58.100 0.035 0.000 1.111 247 Y CB -0.462 38.030 38.460 0.054 0.000 0.987 247 Y HN 0.065 nan 8.280 nan 0.000 0.489 248 F N -0.301 119.690 119.950 0.068 0.000 2.115 248 F HA -0.343 4.186 4.527 0.003 0.000 0.300 248 F C 2.350 178.146 175.800 -0.006 0.000 1.092 248 F CA 0.973 58.977 58.000 0.006 0.000 1.245 248 F CB -0.541 38.473 39.000 0.023 0.000 0.995 248 F HN -0.100 nan 8.300 nan 0.000 0.481 249 V N -0.146 119.885 119.914 0.195 0.000 2.233 249 V HA -0.321 3.800 4.120 0.003 0.000 0.247 249 V C 2.139 178.278 176.094 0.075 0.000 1.050 249 V CA 1.709 64.063 62.300 0.091 0.000 1.010 249 V CB -0.598 31.246 31.823 0.035 0.000 0.637 249 V HN 0.211 nan 8.190 nan 0.000 0.444 250 L N -0.907 120.362 121.223 0.076 0.000 2.191 250 L HA -0.112 4.230 4.340 0.003 0.000 0.212 250 L C 2.080 178.997 176.870 0.078 0.000 1.103 250 L CA 1.633 56.527 54.840 0.090 0.000 0.769 250 L CB -0.542 41.569 42.059 0.087 0.000 0.908 250 L HN 0.238 nan 8.230 nan 0.000 0.438 251 L N -1.402 119.824 121.223 0.006 0.000 2.023 251 L HA -0.221 4.120 4.340 0.003 0.000 0.205 251 L C 2.550 179.414 176.870 -0.009 0.000 1.073 251 L CA 1.118 55.914 54.840 -0.073 0.000 0.745 251 L CB -0.510 41.405 42.059 -0.241 0.000 0.900 251 L HN 0.141 nan 8.230 nan 0.000 0.435 252 K N 0.889 121.277 120.400 -0.019 0.000 2.001 252 K HA -0.253 4.069 4.320 0.003 0.000 0.214 252 K C 2.022 178.636 176.600 0.024 0.000 1.050 252 K CA 1.845 58.122 56.287 -0.015 0.000 0.934 252 K CB -0.534 31.961 32.500 -0.009 0.000 0.718 252 K HN 0.270 nan 8.250 nan 0.000 0.443 253 I N -0.604 120.003 120.570 0.062 0.000 2.248 253 I HA -0.301 3.871 4.170 0.003 0.000 0.248 253 I C 1.149 177.282 176.117 0.026 0.000 1.107 253 I CA 1.708 63.041 61.300 0.055 0.000 1.373 253 I CB -0.068 37.987 38.000 0.092 0.000 1.055 253 I HN 0.272 nan 8.210 nan 0.000 0.418 254 Y N 1.641 121.925 120.300 -0.027 0.000 2.529 254 Y HA 0.196 4.747 4.550 0.003 0.000 0.290 254 Y C 1.801 177.682 175.900 -0.031 0.000 1.177 254 Y CA 0.749 58.834 58.100 -0.026 0.000 1.305 254 Y CB 0.102 38.545 38.460 -0.027 0.000 1.047 254 Y HN 0.477 nan 8.280 nan 0.000 0.522 255 G N 0.552 109.380 108.800 0.047 0.000 2.175 255 G HA2 -0.317 3.644 3.960 0.003 0.000 0.244 255 G HA3 -0.317 3.644 3.960 0.003 0.000 0.244 255 G C 0.232 175.136 174.900 0.006 0.000 0.982 255 G CA 0.108 45.210 45.100 0.003 0.000 0.641 255 G HN 0.313 nan 8.290 nan 0.000 0.527 256 I N 1.214 121.797 120.570 0.021 0.000 2.474 256 I HA 0.612 4.783 4.170 0.003 0.000 0.287 256 I C 0.135 176.224 176.117 -0.047 0.000 1.048 256 I CA -1.106 60.193 61.300 -0.002 0.000 1.383 256 I CB 1.034 39.047 38.000 0.021 0.000 1.412 256 I HN 0.090 nan 8.210 nan 0.000 0.531 257 D N 8.771 129.139 120.400 -0.053 0.000 2.363 257 D HA 0.193 4.835 4.640 0.003 0.000 0.263 257 D C -1.824 174.402 176.300 -0.123 0.000 1.258 257 D CA -1.584 52.362 54.000 -0.089 0.000 0.907 257 D CB 1.180 41.937 40.800 -0.071 0.000 1.107 257 D HN 0.366 nan 8.370 nan 0.000 0.495 258 P HA -0.141 nan 4.420 nan 0.000 0.216 258 P C 1.192 178.292 177.300 -0.333 0.000 1.153 258 P CA 1.163 63.977 63.100 -0.476 0.000 0.858 258 P CB 0.114 31.202 31.700 -1.020 0.000 0.789 259 I N -1.798 118.601 120.570 -0.285 0.000 2.546 259 I HA -0.121 4.051 4.170 0.003 0.000 0.255 259 I C 2.613 178.730 176.117 -0.001 0.000 1.163 259 I CA 1.590 62.821 61.300 -0.115 0.000 1.457 259 I CB -1.235 36.712 38.000 -0.087 0.000 1.092 259 I HN -0.086 nan 8.210 nan 0.000 0.434 260 S N 1.130 116.817 115.700 -0.023 0.000 2.387 260 S HA -0.148 4.323 4.470 0.003 0.000 0.226 260 S C 2.005 176.577 174.600 -0.046 0.000 1.026 260 S CA 0.882 59.062 58.200 -0.033 0.000 0.972 260 S CB -0.660 62.472 63.200 -0.114 0.000 0.814 260 S HN 0.373 nan 8.310 nan 0.000 0.477 261 F N 2.096 121.949 119.950 -0.162 0.000 2.069 261 F HA -0.159 4.369 4.527 0.002 0.000 0.298 261 F C 1.935 177.744 175.800 0.015 0.000 1.113 261 F CA 1.413 59.349 58.000 -0.106 0.000 1.214 261 F CB -0.043 38.903 39.000 -0.090 0.000 0.978 261 F HN 0.168 nan 8.300 nan 0.000 0.474 262 I N 1.408 122.179 120.570 0.335 0.000 2.208 262 I HA -0.291 3.881 4.170 0.003 0.000 0.245 262 I C 2.753 178.954 176.117 0.142 0.000 1.097 262 I CA 1.938 63.401 61.300 0.271 0.000 1.363 262 I CB -2.133 36.061 38.000 0.323 0.000 1.051 262 I HN 0.257 nan 8.210 nan 0.000 0.413 263 K N 0.186 120.671 120.400 0.141 0.000 2.063 263 K HA -0.200 4.122 4.320 0.003 0.000 0.208 263 K C 2.010 178.687 176.600 0.128 0.000 1.048 263 K CA 1.714 58.081 56.287 0.135 0.000 0.928 263 K CB -1.457 31.142 32.500 0.165 0.000 0.713 263 K HN 0.557 nan 8.250 nan 0.000 0.442 264 H N -1.035 117.990 119.070 -0.075 0.000 2.343 264 H HA 0.188 4.745 4.556 0.003 0.000 0.303 264 H C 2.221 177.454 175.328 -0.159 0.000 1.068 264 H CA 0.714 56.687 56.048 -0.125 0.000 1.359 264 H CB 0.248 29.906 29.762 -0.174 0.000 1.402 264 H HN 0.530 nan 8.280 nan 0.000 0.515 265 A N 1.228 123.990 122.820 -0.095 0.000 2.291 265 A HA 0.074 4.396 4.320 0.003 0.000 0.220 265 A C 2.240 179.808 177.584 -0.027 0.000 1.262 265 A CA 0.785 52.736 52.037 -0.142 0.000 0.867 265 A CB -0.648 18.162 19.000 -0.317 0.000 0.888 265 A HN 0.479 nan 8.150 nan 0.000 0.487 266 K N 0.255 120.657 120.400 0.004 0.000 2.097 266 K HA -0.187 4.135 4.320 0.003 0.000 0.206 266 K C 1.413 178.027 176.600 0.024 0.000 1.049 266 K CA 1.958 58.259 56.287 0.025 0.000 0.933 266 K CB -0.776 31.737 32.500 0.023 0.000 0.717 266 K HN 0.536 nan 8.250 nan 0.000 0.442 267 D N -0.193 120.215 120.400 0.013 0.000 2.123 267 D HA 0.085 4.727 4.640 0.003 0.000 0.200 267 D C 2.225 178.558 176.300 0.055 0.000 0.976 267 D CA 1.428 55.447 54.000 0.032 0.000 0.831 267 D CB -0.149 40.663 40.800 0.019 0.000 0.974 267 D HN 0.475 nan 8.370 nan 0.000 0.469 268 A N 0.295 123.134 122.820 0.031 0.000 1.898 268 A HA -0.101 4.220 4.320 0.003 0.000 0.216 268 A C 2.146 179.775 177.584 0.075 0.000 1.181 268 A CA 1.043 53.105 52.037 0.042 0.000 0.620 268 A CB -0.536 18.466 19.000 0.004 0.000 0.819 268 A HN 0.120 nan 8.150 nan 0.000 0.442 269 M N -0.630 119.013 119.600 0.072 0.000 2.213 269 M HA -0.070 4.412 4.480 0.003 0.000 0.263 269 M C 1.878 178.262 176.300 0.141 0.000 1.062 269 M CA 1.026 56.388 55.300 0.103 0.000 1.105 269 M CB -0.188 32.462 32.600 0.083 0.000 1.385 269 M HN 0.306 nan 8.290 nan 0.000 0.417 270 L N -0.899 120.394 121.223 0.116 0.000 2.095 270 L HA -0.100 4.242 4.340 0.003 0.000 0.204 270 L C 2.321 179.320 176.870 0.215 0.000 1.080 270 L CA 1.562 56.485 54.840 0.138 0.000 0.759 270 L CB -1.280 40.825 42.059 0.077 0.000 0.914 270 L HN 0.299 nan 8.230 nan 0.000 0.439 271 T N 0.464 115.139 114.554 0.201 0.000 2.674 271 T HA -0.163 4.188 4.350 0.003 0.000 0.265 271 T C 2.014 176.839 174.700 0.207 0.000 1.039 271 T CA 1.490 63.742 62.100 0.253 0.000 1.150 271 T CB -0.244 68.757 68.868 0.221 0.000 0.864 271 T HN 0.406 nan 8.240 nan 0.000 0.427 272 A N 1.195 124.111 122.820 0.160 0.000 1.892 272 A HA -0.125 4.196 4.320 0.003 0.000 0.218 272 A C 2.025 179.697 177.584 0.145 0.000 1.188 272 A CA 1.803 53.915 52.037 0.125 0.000 0.631 272 A CB -1.188 17.876 19.000 0.108 0.000 0.822 272 A HN 0.447 nan 8.150 nan 0.000 0.447 273 F N 0.589 120.572 119.950 0.056 0.000 2.025 273 F HA -0.229 4.300 4.527 0.003 0.000 0.297 273 F C 2.397 178.237 175.800 0.068 0.000 1.132 273 F CA 2.435 60.469 58.000 0.056 0.000 1.191 273 F CB -0.500 38.541 39.000 0.069 0.000 0.963 273 F HN 0.040 nan 8.300 nan 0.000 0.481 274 V N -0.628 119.447 119.914 0.268 0.000 2.358 274 V HA -0.278 3.844 4.120 0.003 0.000 0.246 274 V C 2.219 178.378 176.094 0.109 0.000 1.047 274 V CA 2.334 64.743 62.300 0.181 0.000 1.035 274 V CB -1.024 30.951 31.823 0.254 0.000 0.658 274 V HN 0.455 nan 8.190 nan 0.000 0.452 275 T N -1.178 113.460 114.554 0.139 0.000 2.857 275 T HA -0.071 4.280 4.350 0.003 0.000 0.266 275 T C 1.419 176.128 174.700 0.015 0.000 1.048 275 T CA 0.992 63.151 62.100 0.097 0.000 1.139 275 T CB -0.154 68.760 68.868 0.078 0.000 0.874 275 T HN 0.413 nan 8.240 nan 0.000 0.455 276 R N 0.068 120.555 120.500 -0.022 0.000 4.010 276 R HA -0.132 4.209 4.340 0.003 0.000 0.409 276 R C 0.224 176.495 176.300 -0.049 0.000 1.120 276 R CA 0.876 56.934 56.100 -0.069 0.000 1.244 276 R CB -2.048 28.189 30.300 -0.106 0.000 1.799 276 R HN 0.325 nan 8.270 nan 0.000 0.559 277 S N -0.353 115.331 115.700 -0.025 0.000 2.423 277 S HA 0.367 4.839 4.470 0.003 0.000 0.317 277 S C 1.049 175.637 174.600 -0.020 0.000 1.065 277 S CA -0.065 58.118 58.200 -0.029 0.000 1.111 277 S CB 1.667 64.847 63.200 -0.033 0.000 0.968 277 S HN 0.273 nan 8.310 nan 0.000 0.474 278 S N 3.713 119.400 115.700 -0.023 0.000 2.353 278 S HA -0.107 4.365 4.470 0.003 0.000 0.222 278 S C 2.151 176.742 174.600 -0.016 0.000 1.035 278 S CA 2.077 60.268 58.200 -0.015 0.000 1.025 278 S CB -0.457 62.729 63.200 -0.024 0.000 0.902 278 S HN 0.765 nan 8.310 nan 0.000 0.440 279 S N -0.163 115.524 115.700 -0.022 0.000 2.382 279 S HA -0.015 4.456 4.470 0.003 0.000 0.228 279 S C 1.860 176.443 174.600 -0.029 0.000 1.027 279 S CA 1.345 59.533 58.200 -0.021 0.000 0.991 279 S CB -0.728 62.460 63.200 -0.020 0.000 0.823 279 S HN 0.682 nan 8.310 nan 0.000 0.469 280 G N -0.108 108.669 108.800 -0.039 0.000 2.448 280 G HA2 -0.103 3.859 3.960 0.003 0.000 0.218 280 G HA3 -0.103 3.859 3.960 0.003 0.000 0.218 280 G C 1.409 176.266 174.900 -0.072 0.000 1.135 280 G CA 1.281 46.343 45.100 -0.064 0.000 0.784 280 G HN 0.525 nan 8.290 nan 0.000 0.543 281 T N 1.171 115.701 114.554 -0.040 0.000 2.942 281 T HA -0.025 4.326 4.350 0.003 0.000 0.265 281 T C 2.217 176.909 174.700 -0.014 0.000 1.062 281 T CA 0.549 62.638 62.100 -0.019 0.000 1.139 281 T CB -0.173 68.705 68.868 0.016 0.000 0.883 281 T HN 0.073 nan 8.240 nan 0.000 0.468 282 L N 1.906 123.122 121.223 -0.011 0.000 2.143 282 L HA -0.213 4.129 4.340 0.003 0.000 0.231 282 L C -0.899 175.967 176.870 -0.007 0.000 1.106 282 L CA 2.480 57.319 54.840 -0.002 0.000 0.827 282 L CB -1.485 40.575 42.059 0.001 0.000 0.915 282 L HN 0.205 nan 8.230 nan 0.000 0.448 283 P HA -0.147 nan 4.420 nan 0.000 0.214 283 P C 2.123 179.415 177.300 -0.013 0.000 1.163 283 P CA 1.456 64.526 63.100 -0.050 0.000 0.883 283 P CB -0.047 31.609 31.700 -0.072 0.000 0.788 284 V N -0.418 119.494 119.914 -0.003 0.000 2.490 284 V HA -0.232 3.889 4.120 0.003 0.000 0.250 284 V C 2.165 178.264 176.094 0.009 0.000 1.061 284 V CA 2.585 64.897 62.300 0.021 0.000 1.064 284 V CB -1.643 30.207 31.823 0.044 0.000 0.670 284 V HN 0.246 nan 8.190 nan 0.000 0.461 285 T N -0.837 113.718 114.554 0.002 0.000 2.777 285 T HA -0.182 4.169 4.350 0.003 0.000 0.266 285 T C 1.844 176.517 174.700 -0.045 0.000 1.040 285 T CA 1.570 63.661 62.100 -0.015 0.000 1.141 285 T CB -0.261 68.608 68.868 0.002 0.000 0.868 285 T HN 0.314 nan 8.240 nan 0.000 0.444 286 M N 0.394 119.987 119.600 -0.011 0.000 2.296 286 M HA 0.025 4.507 4.480 0.003 0.000 0.265 286 M C 2.543 178.820 176.300 -0.038 0.000 1.064 286 M CA 1.061 56.350 55.300 -0.019 0.000 1.109 286 M CB -0.162 32.514 32.600 0.128 0.000 1.396 286 M HN 0.038 nan 8.290 nan 0.000 0.430 287 R N -0.131 120.413 120.500 0.074 0.000 2.275 287 R HA 0.002 4.344 4.340 0.003 0.000 0.199 287 R C 1.551 177.808 176.300 -0.072 0.000 0.989 287 R CA 0.572 56.732 56.100 0.099 0.000 1.016 287 R CB 0.209 30.621 30.300 0.187 0.000 0.918 287 R HN 0.221 nan 8.270 nan 0.000 0.473 288 V N 0.573 120.425 119.914 -0.103 0.000 2.788 288 V HA -0.058 4.064 4.120 0.003 0.000 0.251 288 V C 2.268 178.244 176.094 -0.198 0.000 1.068 288 V CA 1.515 63.737 62.300 -0.131 0.000 1.090 288 V CB 0.219 31.978 31.823 -0.107 0.000 0.710 288 V HN 0.399 nan 8.190 nan 0.000 0.467 289 A N -0.050 122.578 122.820 -0.320 0.000 1.897 289 A HA -0.191 4.131 4.320 0.003 0.000 0.215 289 A C 2.267 179.540 177.584 -0.519 0.000 1.181 289 A CA 1.904 53.679 52.037 -0.437 0.000 0.620 289 A CB -0.383 18.240 19.000 -0.628 0.000 0.821 289 A HN 0.503 nan 8.150 nan 0.000 0.443 290 K N 0.299 120.270 120.400 -0.714 0.000 1.978 290 K HA -0.181 4.140 4.320 0.003 0.000 0.214 290 K C 0.846 177.345 176.600 -0.167 0.000 1.049 290 K CA 1.863 57.928 56.287 -0.371 0.000 0.939 290 K CB -0.256 31.985 32.500 -0.431 0.000 0.721 290 K HN 0.463 nan 8.250 nan 0.000 0.441 291 E N 0.612 120.716 120.200 -0.159 0.000 2.330 291 E HA -0.020 4.332 4.350 0.003 0.000 0.210 291 E C 0.434 177.009 176.600 -0.041 0.000 1.256 291 E CA 0.023 56.363 56.400 -0.099 0.000 1.346 291 E CB -0.023 29.609 29.700 -0.113 0.000 1.308 291 E HN 0.469 nan 8.360 nan 0.000 0.441 292 M N -3.708 115.899 119.600 0.012 0.000 2.414 292 M HA 0.347 4.829 4.480 0.003 0.000 0.393 292 M C 0.588 176.923 176.300 0.058 0.000 1.055 292 M CA -0.059 55.325 55.300 0.139 0.000 0.937 292 M CB 0.597 33.309 32.600 0.187 0.000 1.631 292 M HN 0.043 nan 8.290 nan 0.000 0.567 293 G N 2.867 111.687 108.800 0.034 0.000 2.353 293 G HA2 -0.169 3.793 3.960 0.003 0.000 0.294 293 G HA3 -0.169 3.793 3.960 0.003 0.000 0.294 293 G C -0.475 174.470 174.900 0.074 0.000 1.077 293 G CA 0.302 45.430 45.100 0.047 0.000 1.098 293 G HN 0.648 nan 8.290 nan 0.000 0.511 294 I N -0.032 120.619 120.570 0.136 0.000 2.863 294 I HA 0.553 4.725 4.170 0.003 0.000 0.311 294 I C 0.999 177.263 176.117 0.244 0.000 1.026 294 I CA -0.930 60.486 61.300 0.192 0.000 1.077 294 I CB 1.944 40.088 38.000 0.239 0.000 1.262 294 I HN 0.326 nan 8.210 nan 0.000 0.461 295 S N 1.022 116.781 115.700 0.099 0.000 2.545 295 S HA 0.208 4.680 4.470 0.003 0.000 0.275 295 S C 0.622 175.001 174.600 -0.368 0.000 1.299 295 S CA -0.700 57.465 58.200 -0.058 0.000 1.048 295 S CB 1.311 64.473 63.200 -0.063 0.000 0.938 295 S HN 0.641 nan 8.310 nan 0.000 0.496 296 E N 2.523 122.374 120.200 -0.582 0.000 2.219 296 E HA -0.170 4.182 4.350 0.003 0.000 0.198 296 E C 2.122 178.442 176.600 -0.467 0.000 0.998 296 E CA 1.093 56.967 56.400 -0.877 0.000 0.818 296 E CB -0.593 28.853 29.700 -0.424 0.000 0.741 296 E HN 0.935 nan 8.360 nan 0.000 0.477 297 G N 1.241 109.879 108.800 -0.270 0.000 2.469 297 G HA2 -0.241 3.720 3.960 0.003 0.000 0.219 297 G HA3 -0.241 3.720 3.960 0.003 0.000 0.219 297 G C 1.434 176.264 174.900 -0.118 0.000 1.150 297 G CA 0.721 45.721 45.100 -0.168 0.000 0.763 297 G HN 0.077 nan 8.290 nan 0.000 0.561 298 I N -0.029 120.480 120.570 -0.102 0.000 2.490 298 I HA 0.067 4.239 4.170 0.003 0.000 0.234 298 I C 2.670 178.849 176.117 0.104 0.000 1.066 298 I CA 0.599 61.916 61.300 0.030 0.000 1.405 298 I CB -1.744 36.291 38.000 0.058 0.000 1.191 298 I HN 0.484 nan 8.210 nan 0.000 0.433 299 Y N 1.699 122.055 120.300 0.093 0.000 2.128 299 Y HA -0.149 4.402 4.550 0.003 0.000 0.284 299 Y C 2.443 178.418 175.900 0.125 0.000 1.154 299 Y CA 1.596 59.753 58.100 0.095 0.000 1.149 299 Y CB -1.283 37.218 38.460 0.068 0.000 0.976 299 Y HN 0.178 nan 8.280 nan 0.000 0.505 300 S N -0.169 115.532 115.700 0.002 0.000 2.641 300 S HA -0.024 4.448 4.470 0.003 0.000 0.239 300 S C 1.315 176.032 174.600 0.195 0.000 0.972 300 S CA 1.112 59.388 58.200 0.127 0.000 0.954 300 S CB -1.105 62.072 63.200 -0.039 0.000 0.767 300 S HN 0.740 nan 8.310 nan 0.000 0.539 301 F N 0.212 120.187 119.950 0.043 0.000 2.577 301 F HA 0.051 4.580 4.527 0.002 0.000 0.282 301 F C 2.245 178.105 175.800 0.101 0.000 0.957 301 F CA 1.143 59.175 58.000 0.053 0.000 1.168 301 F CB -0.176 38.828 39.000 0.007 0.000 0.958 301 F HN 0.094 nan 8.300 nan 0.000 0.702 302 T N 0.289 114.879 114.554 0.060 0.000 2.821 302 T HA -0.093 4.259 4.350 0.003 0.000 0.267 302 T C 2.025 176.752 174.700 0.045 0.000 1.046 302 T CA 1.574 63.645 62.100 -0.050 0.000 1.139 302 T CB -0.813 68.112 68.868 0.095 0.000 0.871 302 T HN 0.356 nan 8.240 nan 0.000 0.454 303 L N 1.170 122.457 121.223 0.107 0.000 2.005 303 L HA 0.034 4.376 4.340 0.003 0.000 0.207 303 L C -0.245 176.659 176.870 0.058 0.000 1.072 303 L CA 1.540 56.449 54.840 0.115 0.000 0.744 303 L CB -1.416 40.736 42.059 0.154 0.000 0.895 303 L HN 0.245 nan 8.230 nan 0.000 0.433 304 P HA -0.173 nan 4.420 nan 0.000 0.216 304 P C 1.792 179.076 177.300 -0.026 0.000 1.153 304 P CA 1.075 64.186 63.100 0.018 0.000 0.848 304 P CB 0.038 31.765 31.700 0.045 0.000 0.787 305 L N -0.018 121.145 121.223 -0.101 0.000 1.971 305 L HA -0.127 4.215 4.340 0.003 0.000 0.215 305 L C 2.358 179.199 176.870 -0.049 0.000 1.072 305 L CA 2.674 57.448 54.840 -0.109 0.000 0.758 305 L CB -1.546 40.338 42.059 -0.291 0.000 0.889 305 L HN -0.019 nan 8.230 nan 0.000 0.433 306 G N -1.286 107.516 108.800 0.005 0.000 2.432 306 G HA2 -0.249 3.713 3.960 0.003 0.000 0.219 306 G HA3 -0.249 3.713 3.960 0.003 0.000 0.219 306 G C 1.533 176.305 174.900 -0.212 0.000 1.135 306 G CA 0.592 45.551 45.100 -0.235 0.000 0.767 306 G HN 0.667 nan 8.290 nan 0.000 0.550 307 A N 0.162 122.935 122.820 -0.079 0.000 2.272 307 A HA 0.131 4.452 4.320 0.003 0.000 0.213 307 A C 2.199 179.745 177.584 -0.062 0.000 1.183 307 A CA 2.476 54.480 52.037 -0.054 0.000 0.719 307 A CB -0.466 18.525 19.000 -0.016 0.000 0.771 307 A HN 0.737 nan 8.150 nan 0.000 0.484 308 T N -6.163 108.342 114.554 -0.082 0.000 3.131 308 T HA 0.289 4.640 4.350 0.003 0.000 0.283 308 T C 0.958 175.611 174.700 -0.078 0.000 0.906 308 T CA 0.546 62.609 62.100 -0.061 0.000 0.882 308 T CB -0.224 68.627 68.868 -0.029 0.000 1.208 308 T HN 0.022 nan 8.240 nan 0.000 0.561 309 I N 1.627 122.113 120.570 -0.140 0.000 3.565 309 I HA 0.383 4.555 4.170 0.003 0.000 0.287 309 I C 1.049 177.011 176.117 -0.257 0.000 1.193 309 I CA 0.163 61.376 61.300 -0.146 0.000 1.402 309 I CB 0.268 38.224 38.000 -0.074 0.000 1.284 309 I HN 0.267 nan 8.210 nan 0.000 0.454 310 N N 1.794 120.193 118.700 -0.502 0.000 3.188 310 N HA 0.133 4.874 4.740 0.003 0.000 0.279 310 N C -0.334 175.052 175.510 -0.206 0.000 1.213 310 N CA -0.083 52.662 53.050 -0.508 0.000 1.138 310 N CB 0.188 38.053 38.487 -1.035 0.000 1.417 310 N HN 0.065 nan 8.380 nan 0.000 0.526 311 M N 2.240 121.773 119.600 -0.111 0.000 2.852 311 M HA 0.137 4.619 4.480 0.003 0.000 0.321 311 M C 0.539 176.839 176.300 0.001 0.000 1.337 311 M CA -0.406 54.869 55.300 -0.042 0.000 1.406 311 M CB 0.372 32.953 32.600 -0.031 0.000 1.152 311 M HN 0.198 nan 8.290 nan 0.000 0.508 312 D N 1.379 121.800 120.400 0.036 0.000 2.103 312 D HA -0.018 4.623 4.640 0.003 0.000 0.199 312 D C 1.838 178.172 176.300 0.057 0.000 0.978 312 D CA 1.309 55.350 54.000 0.070 0.000 0.829 312 D CB -0.047 40.847 40.800 0.157 0.000 0.981 312 D HN 0.694 nan 8.370 nan 0.000 0.464 313 G N -0.304 108.530 108.800 0.056 0.000 2.498 313 G HA2 -0.198 3.764 3.960 0.003 0.000 0.219 313 G HA3 -0.198 3.764 3.960 0.003 0.000 0.219 313 G C 1.673 176.596 174.900 0.037 0.000 1.119 313 G CA 1.130 46.247 45.100 0.028 0.000 0.766 313 G HN 0.223 nan 8.290 nan 0.000 0.552 314 T N 0.912 115.493 114.554 0.044 0.000 2.809 314 T HA 0.172 4.524 4.350 0.003 0.000 0.260 314 T C 2.847 177.634 174.700 0.146 0.000 1.039 314 T CA 1.217 63.380 62.100 0.106 0.000 1.141 314 T CB -0.273 68.631 68.868 0.060 0.000 0.869 314 T HN 0.312 nan 8.240 nan 0.000 0.437 315 A N 1.056 123.920 122.820 0.073 0.000 1.978 315 A HA -0.047 4.275 4.320 0.003 0.000 0.220 315 A C 2.213 179.808 177.584 0.018 0.000 1.170 315 A CA 1.434 53.497 52.037 0.042 0.000 0.636 315 A CB -0.804 18.209 19.000 0.020 0.000 0.810 315 A HN 0.503 nan 8.150 nan 0.000 0.448 316 L N -1.764 119.474 121.223 0.026 0.000 1.988 316 L HA -0.153 4.189 4.340 0.003 0.000 0.207 316 L C 2.466 179.343 176.870 0.010 0.000 1.071 316 L CA 2.369 57.206 54.840 -0.005 0.000 0.744 316 L CB -0.622 41.435 42.059 -0.004 0.000 0.893 316 L HN 0.540 nan 8.230 nan 0.000 0.433 317 Y N 0.346 120.614 120.300 -0.053 0.000 2.181 317 Y HA -0.369 4.183 4.550 0.002 0.000 0.284 317 Y C 2.403 178.294 175.900 -0.015 0.000 1.179 317 Y CA 2.335 60.408 58.100 -0.045 0.000 1.179 317 Y CB -0.319 38.107 38.460 -0.056 0.000 0.973 317 Y HN 0.398 nan 8.280 nan 0.000 0.519 318 Q N -0.609 119.098 119.800 -0.155 0.000 2.137 318 Q HA -0.018 4.324 4.340 0.003 0.000 0.198 318 Q C 2.538 178.447 176.000 -0.152 0.000 0.960 318 Q CA 0.904 56.575 55.803 -0.220 0.000 0.847 318 Q CB -0.349 28.390 28.738 0.002 0.000 0.915 318 Q HN 0.658 nan 8.270 nan 0.000 0.448 319 G N 0.330 109.063 108.800 -0.112 0.000 2.422 319 G HA2 -0.189 3.773 3.960 0.003 0.000 0.218 319 G HA3 -0.189 3.773 3.960 0.003 0.000 0.218 319 G C 1.353 176.161 174.900 -0.154 0.000 1.140 319 G CA 0.505 45.526 45.100 -0.131 0.000 0.775 319 G HN 0.284 nan 8.290 nan 0.000 0.545 320 V N -0.570 119.263 119.914 -0.135 0.000 3.461 320 V HA 0.060 4.182 4.120 0.003 0.000 0.267 320 V C 2.259 178.349 176.094 -0.006 0.000 1.186 320 V CA 1.130 63.390 62.300 -0.067 0.000 1.154 320 V CB -0.303 31.483 31.823 -0.062 0.000 0.802 320 V HN 0.426 nan 8.190 nan 0.000 0.474 321 C N -1.063 118.173 119.300 -0.107 0.000 2.487 321 C HA 0.037 4.498 4.460 0.003 0.000 0.311 321 C C 2.681 177.750 174.990 0.131 0.000 1.367 321 C CA 1.117 60.102 59.018 -0.055 0.000 1.865 321 C CB -0.408 27.116 27.740 -0.360 0.000 2.277 321 C HN 0.592 nan 8.230 nan 0.000 0.521 322 T N 1.421 116.032 114.554 0.095 0.000 2.649 322 T HA -0.218 4.134 4.350 0.003 0.000 0.268 322 T C 1.388 176.254 174.700 0.276 0.000 1.036 322 T CA 2.003 64.205 62.100 0.169 0.000 1.157 322 T CB -0.435 68.528 68.868 0.158 0.000 0.861 322 T HN 0.361 nan 8.240 nan 0.000 0.445 323 F N 0.586 120.554 119.950 0.030 0.000 2.134 323 F HA 0.046 4.574 4.527 0.002 0.000 0.299 323 F C 1.984 177.824 175.800 0.067 0.000 1.097 323 F CA 0.241 58.264 58.000 0.039 0.000 1.264 323 F CB -1.038 37.985 39.000 0.039 0.000 1.001 323 F HN 0.192 nan 8.300 nan 0.000 0.479 324 F N 0.370 120.404 119.950 0.140 0.000 2.126 324 F HA -0.207 4.321 4.527 0.002 0.000 0.299 324 F C 2.094 177.911 175.800 0.028 0.000 1.096 324 F CA 1.631 59.670 58.000 0.065 0.000 1.255 324 F CB -0.566 38.456 39.000 0.038 0.000 0.997 324 F HN -0.070 nan 8.300 nan 0.000 0.479 325 I N 0.407 120.975 120.570 -0.003 0.000 2.193 325 I HA -0.181 3.990 4.170 0.003 0.000 0.240 325 I C 2.648 178.653 176.117 -0.187 0.000 1.084 325 I CA 1.092 62.307 61.300 -0.142 0.000 1.365 325 I CB -0.917 37.148 38.000 0.109 0.000 1.064 325 I HN 0.201 nan 8.210 nan 0.000 0.410 326 A N 0.383 123.130 122.820 -0.122 0.000 2.178 326 A HA -0.183 4.138 4.320 0.003 0.000 0.218 326 A C 1.878 179.322 177.584 -0.234 0.000 1.157 326 A CA 1.671 53.606 52.037 -0.171 0.000 0.689 326 A CB -0.932 17.956 19.000 -0.187 0.000 0.787 326 A HN 0.538 nan 8.150 nan 0.000 0.465 327 N N -0.447 118.098 118.700 -0.258 0.000 2.278 327 N HA 0.074 4.815 4.740 0.003 0.000 0.181 327 N C 1.969 177.337 175.510 -0.237 0.000 1.023 327 N CA 0.706 53.613 53.050 -0.238 0.000 0.862 327 N CB -0.136 38.237 38.487 -0.189 0.000 1.003 327 N HN 0.424 nan 8.380 nan 0.000 0.431 328 A N 1.075 123.685 122.820 -0.350 0.000 2.019 328 A HA -0.033 4.288 4.320 0.003 0.000 0.219 328 A C 1.912 179.381 177.584 -0.193 0.000 1.164 328 A CA 0.957 52.807 52.037 -0.312 0.000 0.644 328 A CB -0.368 18.339 19.000 -0.488 0.000 0.805 328 A HN 0.200 nan 8.150 nan 0.000 0.449 329 L N -1.787 119.329 121.223 -0.178 0.000 2.477 329 L HA 0.172 4.513 4.340 0.003 0.000 0.220 329 L C 1.600 178.404 176.870 -0.109 0.000 1.106 329 L CA 0.680 55.449 54.840 -0.118 0.000 0.851 329 L CB -0.444 41.557 42.059 -0.098 0.000 0.994 329 L HN 0.583 nan 8.230 nan 0.000 0.462 330 G N 0.823 109.543 108.800 -0.133 0.000 2.225 330 G HA2 -0.294 3.668 3.960 0.003 0.000 0.264 330 G HA3 -0.294 3.668 3.960 0.003 0.000 0.264 330 G C 0.377 175.211 174.900 -0.111 0.000 1.060 330 G CA 0.411 45.439 45.100 -0.120 0.000 0.833 330 G HN 0.538 nan 8.290 nan 0.000 0.498 331 S N -1.362 114.264 115.700 -0.124 0.000 2.600 331 S HA 0.685 5.156 4.470 0.003 0.000 0.265 331 S C 1.325 175.842 174.600 -0.138 0.000 1.325 331 S CA 0.970 59.103 58.200 -0.112 0.000 1.002 331 S CB 0.255 63.393 63.200 -0.103 0.000 0.921 331 S HN 1.992 nan 8.310 nan 0.000 0.554 332 H N -0.361 118.644 119.070 -0.108 0.000 2.563 332 H HA 0.507 5.064 4.556 0.003 0.000 0.272 332 H C 1.704 176.947 175.328 -0.141 0.000 1.005 332 H CA 1.257 57.241 56.048 -0.106 0.000 1.171 332 H CB -1.649 28.075 29.762 -0.064 0.000 1.351 332 H HN 2.381 nan 8.280 nan 0.000 0.602 333 L N 0.267 121.383 121.223 -0.179 0.000 3.739 333 L HA -0.150 4.192 4.340 0.003 0.000 0.442 333 L C 1.116 177.959 176.870 -0.047 0.000 1.241 333 L CA 1.226 55.949 54.840 -0.195 0.000 0.819 333 L CB -3.304 38.411 42.059 -0.573 0.000 1.679 333 L HN 1.279 nan 8.230 nan 0.000 0.889 334 T N -2.281 112.256 114.554 -0.028 0.000 1.861 334 T HA 0.194 4.546 4.350 0.003 0.000 0.607 334 T C 1.178 175.891 174.700 0.021 0.000 0.930 334 T CA 1.155 63.255 62.100 -0.000 0.000 3.333 334 T CB -1.539 67.337 68.868 0.013 0.000 1.727 334 T HN 2.396 nan 8.240 nan 0.000 0.336 335 V N 1.969 121.888 119.914 0.008 0.000 2.358 335 V HA 0.434 4.556 4.120 0.003 0.000 0.234 335 V C 1.415 177.521 176.094 0.020 0.000 1.239 335 V CA 1.333 63.646 62.300 0.021 0.000 1.343 335 V CB -1.176 30.651 31.823 0.007 0.000 1.377 335 V HN 1.432 nan 8.190 nan 0.000 0.487 336 G N 1.820 110.639 108.800 0.030 0.000 1.849 336 G HA2 0.400 4.361 3.960 0.003 0.000 0.066 336 G HA3 0.400 4.361 3.960 0.003 0.000 0.066 336 G C 0.511 175.428 174.900 0.029 0.000 0.986 336 G CA 0.533 45.647 45.100 0.023 0.000 1.081 336 G HN 1.762 nan 8.290 nan 0.000 0.306 337 Q N 1.295 121.110 119.800 0.026 0.000 3.184 337 Q HA 0.529 4.870 4.340 0.003 0.000 0.288 337 Q C 1.194 177.220 176.000 0.043 0.000 1.412 337 Q CA 0.960 56.780 55.803 0.028 0.000 0.991 337 Q CB -0.806 27.944 28.738 0.019 0.000 1.688 337 Q HN 0.919 nan 8.270 nan 0.000 0.554 338 Q N -0.613 119.223 119.800 0.060 0.000 2.194 338 Q HA 0.110 4.452 4.340 0.003 0.000 0.214 338 Q C 1.454 177.478 176.000 0.040 0.000 0.838 338 Q CA 0.511 56.369 55.803 0.091 0.000 0.972 338 Q CB -0.255 28.597 28.738 0.190 0.000 1.131 338 Q HN 0.781 nan 8.270 nan 0.000 0.498 339 L N -1.108 120.127 121.223 0.020 0.000 2.275 339 L HA 0.100 4.442 4.340 0.003 0.000 0.215 339 L C 1.418 178.291 176.870 0.005 0.000 1.119 339 L CA 1.371 56.211 54.840 -0.000 0.000 0.790 339 L CB -0.607 41.452 42.059 0.000 0.000 0.919 339 L HN -0.096 nan 8.230 nan 0.000 0.443 340 T N 0.074 114.639 114.554 0.017 0.000 3.118 340 T HA 0.162 4.514 4.350 0.003 0.000 0.260 340 T C 1.763 176.475 174.700 0.021 0.000 1.139 340 T CA 1.141 63.252 62.100 0.018 0.000 1.085 340 T CB -0.270 68.611 68.868 0.021 0.000 0.934 340 T HN 0.357 nan 8.240 nan 0.000 0.518 341 I N 0.540 121.125 120.570 0.024 0.000 2.185 341 I HA -0.091 4.081 4.170 0.003 0.000 0.235 341 I C 2.441 178.554 176.117 -0.007 0.000 1.069 341 I CA 0.514 61.825 61.300 0.018 0.000 1.354 341 I CB -0.771 37.245 38.000 0.026 0.000 1.093 341 I HN -0.011 nan 8.210 nan 0.000 0.411 342 V N 1.360 121.257 119.914 -0.028 0.000 2.257 342 V HA -0.370 3.751 4.120 0.003 0.000 0.257 342 V C 2.533 178.617 176.094 -0.016 0.000 1.077 342 V CA 2.449 64.725 62.300 -0.040 0.000 1.063 342 V CB -0.691 31.100 31.823 -0.054 0.000 0.664 342 V HN 0.374 nan 8.190 nan 0.000 0.450 343 L N -0.433 120.788 121.223 -0.004 0.000 1.970 343 L HA -0.217 4.125 4.340 0.003 0.000 0.212 343 L C 2.549 179.425 176.870 0.010 0.000 1.071 343 L CA 2.772 57.615 54.840 0.006 0.000 0.751 343 L CB -0.619 41.446 42.059 0.010 0.000 0.889 343 L HN 0.427 nan 8.230 nan 0.000 0.432 344 T N -0.557 114.003 114.554 0.011 0.000 2.951 344 T HA -0.033 4.319 4.350 0.003 0.000 0.268 344 T C 1.825 176.535 174.700 0.016 0.000 1.073 344 T CA 0.834 62.943 62.100 0.015 0.000 1.134 344 T CB -0.353 68.525 68.868 0.016 0.000 0.884 344 T HN 0.495 nan 8.240 nan 0.000 0.479 345 A N 1.350 124.176 122.820 0.010 0.000 1.877 345 A HA -0.034 4.288 4.320 0.003 0.000 0.216 345 A C 2.550 180.144 177.584 0.017 0.000 1.186 345 A CA 1.244 53.288 52.037 0.011 0.000 0.620 345 A CB -1.171 17.825 19.000 -0.007 0.000 0.822 345 A HN 0.308 nan 8.150 nan 0.000 0.443 346 V N 0.233 120.155 119.914 0.012 0.000 2.220 346 V HA -0.301 3.820 4.120 0.003 0.000 0.250 346 V C 2.563 178.670 176.094 0.022 0.000 1.056 346 V CA 2.153 64.464 62.300 0.018 0.000 1.016 346 V CB -0.728 31.107 31.823 0.019 0.000 0.639 346 V HN 0.529 nan 8.190 nan 0.000 0.446 347 L N -0.213 121.023 121.223 0.022 0.000 2.043 347 L HA -0.222 4.119 4.340 0.003 0.000 0.212 347 L C 2.631 179.516 176.870 0.024 0.000 1.075 347 L CA 2.700 57.554 54.840 0.024 0.000 0.752 347 L CB -1.845 40.227 42.059 0.022 0.000 0.891 347 L HN 0.444 nan 8.230 nan 0.000 0.432 348 A N -1.538 121.298 122.820 0.026 0.000 1.930 348 A HA -0.139 4.183 4.320 0.003 0.000 0.217 348 A C 2.534 180.138 177.584 0.033 0.000 1.175 348 A CA 1.671 53.727 52.037 0.033 0.000 0.627 348 A CB -0.469 18.556 19.000 0.042 0.000 0.815 348 A HN 0.438 nan 8.150 nan 0.000 0.443 349 S N 0.036 115.754 115.700 0.030 0.000 2.348 349 S HA -0.137 4.334 4.470 0.003 0.000 0.221 349 S C 1.807 176.410 174.600 0.005 0.000 1.033 349 S CA 1.520 59.733 58.200 0.022 0.000 1.010 349 S CB -0.539 62.672 63.200 0.018 0.000 0.891 349 S HN 0.537 nan 8.310 nan 0.000 0.442 350 I N 1.485 122.059 120.570 0.005 0.000 2.185 350 I HA -0.233 3.939 4.170 0.003 0.000 0.246 350 I C 2.580 178.700 176.117 0.004 0.000 1.088 350 I CA 1.366 62.666 61.300 0.002 0.000 1.347 350 I CB -0.734 37.277 38.000 0.018 0.000 1.041 350 I HN 0.386 nan 8.210 nan 0.000 0.415 351 G N -0.216 108.592 108.800 0.013 0.000 2.394 351 G HA2 -0.104 3.858 3.960 0.003 0.000 0.215 351 G HA3 -0.104 3.858 3.960 0.003 0.000 0.215 351 G C 0.798 175.704 174.900 0.010 0.000 1.165 351 G CA 0.343 45.452 45.100 0.014 0.000 0.784 351 G HN 0.325 nan 8.290 nan 0.000 0.535 352 T N 2.014 116.576 114.554 0.014 0.000 2.891 352 T HA 0.392 4.744 4.350 0.003 0.000 0.296 352 T C 0.687 175.386 174.700 -0.003 0.000 1.025 352 T CA 0.186 62.294 62.100 0.013 0.000 1.149 352 T CB 1.091 69.971 68.868 0.019 0.000 1.007 352 T HN 0.459 nan 8.240 nan 0.000 0.528 353 A N 2.607 125.425 122.820 -0.004 0.000 2.259 353 A HA 0.640 4.962 4.320 0.003 0.000 0.278 353 A C 1.582 179.152 177.584 -0.022 0.000 1.107 353 A CA -0.263 51.767 52.037 -0.011 0.000 0.828 353 A CB 0.054 19.049 19.000 -0.007 0.000 1.111 353 A HN 0.992 nan 8.150 nan 0.000 0.498 354 G N -1.544 107.241 108.800 -0.024 0.000 3.314 354 G HA2 0.454 4.415 3.960 0.003 0.000 0.238 354 G HA3 0.454 4.415 3.960 0.003 0.000 0.238 354 G C 0.437 175.318 174.900 -0.032 0.000 1.184 354 G CA 0.748 45.830 45.100 -0.030 0.000 0.806 354 G HN 1.193 nan 8.290 nan 0.000 0.536 355 V N 0.265 120.161 119.914 -0.029 0.000 3.170 355 V HA 0.579 4.701 4.120 0.003 0.000 0.309 355 V C -1.483 174.587 176.094 -0.041 0.000 1.071 355 V CA -1.991 60.291 62.300 -0.030 0.000 1.063 355 V CB 1.106 32.916 31.823 -0.022 0.000 1.123 355 V HN 0.039 nan 8.190 nan 0.000 0.464 356 P HA 0.245 nan 4.420 nan 0.000 0.244 356 P C 0.601 177.862 177.300 -0.065 0.000 1.632 356 P CA 0.970 64.036 63.100 -0.056 0.000 0.944 356 P CB 0.284 31.959 31.700 -0.042 0.000 1.569 357 G N -0.162 108.604 108.800 -0.056 0.000 2.633 357 G HA2 0.178 4.140 3.960 0.003 0.000 0.198 357 G HA3 0.178 4.140 3.960 0.003 0.000 0.198 357 G C 1.315 176.187 174.900 -0.047 0.000 1.198 357 G CA 0.516 45.584 45.100 -0.053 0.000 0.685 357 G HN 0.202 nan 8.290 nan 0.000 0.868 358 A N 1.118 123.922 122.820 -0.027 0.000 2.194 358 A HA 0.183 4.505 4.320 0.003 0.000 0.220 358 A C 2.434 180.037 177.584 0.031 0.000 1.162 358 A CA 2.109 54.150 52.037 0.007 0.000 0.674 358 A CB -0.727 18.277 19.000 0.006 0.000 0.789 358 A HN 0.586 nan 8.150 nan 0.000 0.470 359 G N -0.471 108.323 108.800 -0.010 0.000 2.402 359 G HA2 0.045 4.007 3.960 0.003 0.000 0.216 359 G HA3 0.045 4.007 3.960 0.003 0.000 0.216 359 G C 1.720 176.781 174.900 0.269 0.000 1.162 359 G CA 1.236 46.377 45.100 0.068 0.000 0.777 359 G HN 0.737 nan 8.290 nan 0.000 0.539 360 A N 1.382 124.308 122.820 0.177 0.000 1.842 360 A HA -0.103 4.219 4.320 0.003 0.000 0.217 360 A C 2.382 180.161 177.584 0.325 0.000 1.206 360 A CA 1.666 53.859 52.037 0.261 0.000 0.630 360 A CB -0.654 18.382 19.000 0.060 0.000 0.839 360 A HN 0.335 nan 8.150 nan 0.000 0.447 361 I N -1.636 119.068 120.570 0.224 0.000 2.145 361 I HA -0.321 3.850 4.170 0.003 0.000 0.244 361 I C 2.707 178.925 176.117 0.169 0.000 1.075 361 I CA 2.364 63.796 61.300 0.219 0.000 1.332 361 I CB -0.358 37.715 38.000 0.122 0.000 1.033 361 I HN 0.406 nan 8.210 nan 0.000 0.410 362 M N 0.343 120.026 119.600 0.138 0.000 2.394 362 M HA -0.108 4.374 4.480 0.003 0.000 0.264 362 M C 1.896 178.265 176.300 0.115 0.000 1.073 362 M CA 1.157 56.518 55.300 0.101 0.000 1.111 362 M CB -0.200 32.449 32.600 0.082 0.000 1.401 362 M HN 0.173 nan 8.290 nan 0.000 0.448 363 L N 0.551 121.886 121.223 0.187 0.000 2.089 363 L HA -0.172 4.170 4.340 0.003 0.000 0.213 363 L C 2.232 179.157 176.870 0.091 0.000 1.079 363 L CA 2.260 57.199 54.840 0.165 0.000 0.758 363 L CB -1.307 40.899 42.059 0.245 0.000 0.891 363 L HN 0.336 nan 8.230 nan 0.000 0.433 364 A N -0.478 122.371 122.820 0.048 0.000 1.940 364 A HA -0.366 3.956 4.320 0.003 0.000 0.221 364 A C 2.467 180.030 177.584 -0.035 0.000 1.190 364 A CA 2.708 54.699 52.037 -0.077 0.000 0.647 364 A CB -0.832 18.084 19.000 -0.140 0.000 0.821 364 A HN 0.657 nan 8.150 nan 0.000 0.457 365 M N -0.922 118.677 119.600 -0.001 0.000 2.319 365 M HA -0.034 4.447 4.480 0.003 0.000 0.265 365 M C 1.866 178.171 176.300 0.009 0.000 1.068 365 M CA 1.507 56.809 55.300 0.002 0.000 1.118 365 M CB 0.002 32.609 32.600 0.012 0.000 1.395 365 M HN 0.279 nan 8.290 nan 0.000 0.435 366 V N 0.362 120.287 119.914 0.019 0.000 3.235 366 V HA -0.084 4.037 4.120 0.003 0.000 0.259 366 V C 1.783 177.890 176.094 0.022 0.000 1.133 366 V CA 0.708 63.021 62.300 0.022 0.000 1.128 366 V CB -0.075 31.765 31.823 0.028 0.000 0.757 366 V HN 0.459 nan 8.190 nan 0.000 0.469 367 L N -0.112 121.118 121.223 0.012 0.000 2.049 367 L HA 0.007 4.349 4.340 0.003 0.000 0.203 367 L C 2.908 179.774 176.870 -0.008 0.000 1.074 367 L CA 1.800 56.644 54.840 0.006 0.000 0.749 367 L CB -1.096 40.955 42.059 -0.013 0.000 0.907 367 L HN 0.558 nan 8.230 nan 0.000 0.439 368 H N -0.696 118.361 119.070 -0.021 0.000 2.543 368 H HA 0.071 4.629 4.556 0.003 0.000 0.286 368 H C 2.312 177.635 175.328 -0.008 0.000 1.037 368 H CA 1.519 57.555 56.048 -0.020 0.000 1.250 368 H CB -0.633 29.113 29.762 -0.028 0.000 1.373 368 H HN 0.571 nan 8.280 nan 0.000 0.580 369 S N 0.139 115.839 115.700 0.000 0.000 2.395 369 S HA 0.261 4.732 4.470 0.003 0.000 0.225 369 S C 2.477 177.083 174.600 0.011 0.000 1.027 369 S CA 1.528 59.732 58.200 0.007 0.000 0.965 369 S CB -0.586 62.621 63.200 0.013 0.000 0.812 369 S HN 1.088 nan 8.310 nan 0.000 0.482 370 V N 0.192 120.115 119.914 0.015 0.000 3.623 370 V HA 0.491 4.613 4.120 0.003 0.000 0.271 370 V C 1.471 177.566 176.094 0.002 0.000 1.248 370 V CA 0.740 63.050 62.300 0.017 0.000 1.156 370 V CB -1.412 30.431 31.823 0.033 0.000 0.870 370 V HN 1.265 nan 8.190 nan 0.000 0.453 371 G N 0.838 109.636 108.800 -0.004 0.000 2.401 371 G HA2 0.021 3.983 3.960 0.003 0.000 0.283 371 G HA3 0.021 3.983 3.960 0.003 0.000 0.283 371 G C -0.190 174.700 174.900 -0.017 0.000 1.117 371 G CA 0.253 45.346 45.100 -0.011 0.000 1.051 371 G HN 1.893 nan 8.290 nan 0.000 0.510 372 L N -2.563 118.649 121.223 -0.019 0.000 2.490 372 L HA 0.535 4.877 4.340 0.003 0.000 0.261 372 L C -2.629 174.222 176.870 -0.032 0.000 1.232 372 L CA -2.148 52.678 54.840 -0.023 0.000 0.892 372 L CB 1.470 43.516 42.059 -0.021 0.000 1.085 372 L HN -0.046 nan 8.230 nan 0.000 0.491 373 P HA 0.246 nan 4.420 nan 0.000 0.274 373 P C 0.427 177.685 177.300 -0.070 0.000 1.237 373 P CA -0.437 62.628 63.100 -0.058 0.000 0.793 373 P CB 1.007 32.679 31.700 -0.047 0.000 0.977 374 L N 0.845 122.000 121.223 -0.113 0.000 2.711 374 L HA -0.017 4.324 4.340 0.003 0.000 0.242 374 L C 1.872 178.705 176.870 -0.062 0.000 1.153 374 L CA 1.357 56.124 54.840 -0.122 0.000 0.898 374 L CB -2.105 39.809 42.059 -0.241 0.000 1.044 374 L HN 0.479 nan 8.230 nan 0.000 0.437 375 T N -5.053 109.472 114.554 -0.048 0.000 2.866 375 T HA 0.004 4.356 4.350 0.003 0.000 0.250 375 T C 1.066 175.756 174.700 -0.018 0.000 1.033 375 T CA 0.599 62.682 62.100 -0.029 0.000 1.145 375 T CB -0.950 67.902 68.868 -0.027 0.000 0.866 375 T HN 0.361 nan 8.240 nan 0.000 0.434 376 D N 4.098 124.487 120.400 -0.019 0.000 2.359 376 D HA 0.321 4.962 4.640 0.003 0.000 0.273 376 D C -1.707 174.591 176.300 -0.004 0.000 1.362 376 D CA -1.427 52.566 54.000 -0.013 0.000 1.010 376 D CB -0.411 40.380 40.800 -0.016 0.000 1.090 376 D HN 0.365 nan 8.370 nan 0.000 0.521 377 P HA -0.039 nan 4.420 nan 0.000 0.247 377 P C 0.853 178.167 177.300 0.023 0.000 1.225 377 P CA 0.359 63.468 63.100 0.014 0.000 0.768 377 P CB 0.236 31.943 31.700 0.012 0.000 1.020 378 N N -0.868 117.840 118.700 0.014 0.000 2.251 378 N HA -0.065 4.677 4.740 0.003 0.000 0.181 378 N C 1.522 177.049 175.510 0.028 0.000 1.019 378 N CA 0.646 53.705 53.050 0.016 0.000 0.862 378 N CB -1.582 36.903 38.487 -0.003 0.000 0.992 378 N HN -0.069 nan 8.380 nan 0.000 0.429 379 V N 1.812 121.738 119.914 0.021 0.000 2.219 379 V HA -0.253 3.869 4.120 0.003 0.000 0.248 379 V C 2.553 178.702 176.094 0.093 0.000 1.053 379 V CA 2.389 64.713 62.300 0.039 0.000 1.009 379 V CB -1.265 30.562 31.823 0.007 0.000 0.636 379 V HN 0.522 nan 8.190 nan 0.000 0.445 380 A N -0.763 122.097 122.820 0.066 0.000 2.186 380 A HA -0.038 4.284 4.320 0.003 0.000 0.219 380 A C 2.148 179.825 177.584 0.155 0.000 1.159 380 A CA 1.945 54.048 52.037 0.109 0.000 0.680 380 A CB -0.528 18.505 19.000 0.055 0.000 0.787 380 A HN 0.667 nan 8.150 nan 0.000 0.467 381 A N -1.312 121.577 122.820 0.115 0.000 2.147 381 A HA 0.547 4.868 4.320 0.003 0.000 0.211 381 A C 2.164 179.827 177.584 0.131 0.000 1.160 381 A CA 1.162 53.261 52.037 0.104 0.000 0.781 381 A CB -0.360 18.679 19.000 0.065 0.000 0.842 381 A HN 0.777 nan 8.150 nan 0.000 0.475 382 A N -1.264 121.655 122.820 0.165 0.000 1.887 382 A HA 0.081 4.403 4.320 0.003 0.000 0.212 382 A C 1.970 179.748 177.584 0.322 0.000 1.198 382 A CA 1.159 53.347 52.037 0.252 0.000 0.628 382 A CB -0.876 18.233 19.000 0.181 0.000 0.847 382 A HN 0.611 nan 8.150 nan 0.000 0.449 383 Y N 1.074 121.469 120.300 0.159 0.000 2.298 383 Y HA -0.171 4.381 4.550 0.003 0.000 0.287 383 Y C 2.254 178.206 175.900 0.086 0.000 1.164 383 Y CA 1.329 59.501 58.100 0.120 0.000 1.229 383 Y CB -0.175 38.334 38.460 0.082 0.000 0.977 383 Y HN 0.287 nan 8.280 nan 0.000 0.538 384 A N -0.572 122.314 122.820 0.110 0.000 2.169 384 A HA -0.003 4.319 4.320 0.003 0.000 0.212 384 A C 2.171 179.741 177.584 -0.023 0.000 1.153 384 A CA 0.900 52.942 52.037 0.009 0.000 0.756 384 A CB -0.602 18.452 19.000 0.090 0.000 0.813 384 A HN 0.645 nan 8.150 nan 0.000 0.471 385 M N -0.626 118.992 119.600 0.030 0.000 2.191 385 M HA 0.020 4.502 4.480 0.003 0.000 0.262 385 M C 1.670 177.928 176.300 -0.071 0.000 1.083 385 M CA 1.322 56.641 55.300 0.032 0.000 1.154 385 M CB -0.128 32.564 32.600 0.153 0.000 1.344 385 M HN 0.258 nan 8.290 nan 0.000 0.431 386 I N 0.941 121.433 120.570 -0.131 0.000 2.143 386 I HA -0.333 3.839 4.170 0.003 0.000 0.245 386 I C 2.322 178.318 176.117 -0.201 0.000 1.068 386 I CA 1.788 62.942 61.300 -0.244 0.000 1.326 386 I CB -1.394 36.469 38.000 -0.229 0.000 1.028 386 I HN 0.376 nan 8.210 nan 0.000 0.412 387 L N 0.506 121.575 121.223 -0.257 0.000 2.376 387 L HA -0.039 4.303 4.340 0.003 0.000 0.219 387 L C 2.383 179.153 176.870 -0.166 0.000 1.133 387 L CA 1.345 56.033 54.840 -0.253 0.000 0.816 387 L CB -0.750 41.100 42.059 -0.348 0.000 0.933 387 L HN 0.249 nan 8.230 nan 0.000 0.449 388 G N 0.213 108.927 108.800 -0.144 0.000 2.443 388 G HA2 -0.162 3.799 3.960 0.003 0.000 0.219 388 G HA3 -0.162 3.799 3.960 0.003 0.000 0.219 388 G C 1.085 175.882 174.900 -0.172 0.000 1.131 388 G CA 0.926 45.937 45.100 -0.148 0.000 0.775 388 G HN 0.550 nan 8.290 nan 0.000 0.547 389 I N -2.477 118.012 120.570 -0.135 0.000 3.424 389 I HA 0.469 4.641 4.170 0.003 0.000 0.339 389 I C 0.622 176.679 176.117 -0.099 0.000 1.549 389 I CA -0.359 60.872 61.300 -0.115 0.000 1.049 389 I CB 1.160 39.112 38.000 -0.080 0.000 1.439 389 I HN -0.202 nan 8.210 nan 0.000 0.500 390 D N 2.535 122.867 120.400 -0.114 0.000 2.103 390 D HA -0.044 4.598 4.640 0.003 0.000 0.199 390 D C 2.358 178.574 176.300 -0.141 0.000 0.978 390 D CA 1.765 55.696 54.000 -0.114 0.000 0.829 390 D CB 0.371 41.097 40.800 -0.123 0.000 0.981 390 D HN 0.426 nan 8.370 nan 0.000 0.464 391 A N 0.487 123.228 122.820 -0.130 0.000 2.084 391 A HA -0.161 4.161 4.320 0.003 0.000 0.221 391 A C 2.091 179.592 177.584 -0.138 0.000 1.161 391 A CA 0.895 52.852 52.037 -0.133 0.000 0.653 391 A CB -0.625 18.309 19.000 -0.109 0.000 0.802 391 A HN 0.306 nan 8.150 nan 0.000 0.457 392 I N -0.261 120.247 120.570 -0.103 0.000 2.162 392 I HA -0.188 3.984 4.170 0.003 0.000 0.238 392 I C 2.398 178.537 176.117 0.036 0.000 1.076 392 I CA 1.223 62.495 61.300 -0.048 0.000 1.353 392 I CB -1.383 36.597 38.000 -0.032 0.000 1.063 392 I HN 0.314 nan 8.210 nan 0.000 0.408 393 L N 0.099 121.338 121.223 0.027 0.000 2.265 393 L HA -0.215 4.127 4.340 0.003 0.000 0.215 393 L C 2.264 179.023 176.870 -0.185 0.000 1.117 393 L CA 1.031 55.889 54.840 0.030 0.000 0.782 393 L CB -0.648 41.432 42.059 0.036 0.000 0.914 393 L HN 0.299 nan 8.230 nan 0.000 0.441 394 D N 0.399 120.658 120.400 -0.235 0.000 2.084 394 D HA -0.159 4.482 4.640 0.003 0.000 0.196 394 D C 2.326 178.454 176.300 -0.286 0.000 0.985 394 D CA 1.289 55.114 54.000 -0.291 0.000 0.826 394 D CB 0.061 40.714 40.800 -0.245 0.000 0.978 394 D HN 0.243 nan 8.370 nan 0.000 0.456 395 M N 0.441 119.819 119.600 -0.370 0.000 2.226 395 M HA -0.193 4.289 4.480 0.003 0.000 0.257 395 M C 2.383 178.373 176.300 -0.517 0.000 1.070 395 M CA 2.151 57.024 55.300 -0.712 0.000 1.087 395 M CB -0.980 30.796 32.600 -1.373 0.000 1.278 395 M HN 0.048 nan 8.290 nan 0.000 0.426 396 G N 0.352 108.988 108.800 -0.273 0.000 2.587 396 G HA2 -0.313 3.649 3.960 0.003 0.000 0.217 396 G HA3 -0.313 3.649 3.960 0.003 0.000 0.217 396 G C 1.388 176.193 174.900 -0.157 0.000 1.240 396 G CA 1.600 46.626 45.100 -0.124 0.000 0.794 396 G HN 0.541 nan 8.290 nan 0.000 0.580 397 R N -0.140 120.208 120.500 -0.253 0.000 2.159 397 R HA -0.180 4.162 4.340 0.003 0.000 0.252 397 R C 2.409 178.658 176.300 -0.085 0.000 1.144 397 R CA 2.485 58.486 56.100 -0.165 0.000 0.961 397 R CB -1.112 29.050 30.300 -0.231 0.000 0.877 397 R HN 0.367 nan 8.270 nan 0.000 0.444 398 T N 1.434 115.930 114.554 -0.095 0.000 2.701 398 T HA -0.171 4.181 4.350 0.003 0.000 0.263 398 T C 1.800 176.519 174.700 0.031 0.000 1.040 398 T CA 1.481 63.554 62.100 -0.045 0.000 1.147 398 T CB -0.290 68.540 68.868 -0.065 0.000 0.865 398 T HN 0.307 nan 8.240 nan 0.000 0.426 399 M N 1.121 120.777 119.600 0.094 0.000 2.108 399 M HA -0.160 4.321 4.480 0.003 0.000 0.257 399 M C 2.142 178.523 176.300 0.134 0.000 1.071 399 M CA 1.747 57.147 55.300 0.166 0.000 1.093 399 M CB -0.439 32.356 32.600 0.326 0.000 1.345 399 M HN 0.115 nan 8.290 nan 0.000 0.403 400 V N 1.168 121.154 119.914 0.121 0.000 2.626 400 V HA -0.250 3.871 4.120 0.003 0.000 0.252 400 V C 1.942 178.130 176.094 0.156 0.000 1.067 400 V CA 1.575 63.975 62.300 0.166 0.000 1.081 400 V CB -1.107 30.796 31.823 0.134 0.000 0.686 400 V HN 0.518 nan 8.190 nan 0.000 0.468 401 N N 0.240 118.989 118.700 0.081 0.000 2.120 401 N HA -0.117 4.624 4.740 0.003 0.000 0.188 401 N C 1.783 177.320 175.510 0.044 0.000 1.024 401 N CA 1.304 54.384 53.050 0.049 0.000 0.852 401 N CB -0.348 38.139 38.487 0.001 0.000 1.003 401 N HN 0.362 nan 8.380 nan 0.000 0.424 402 V N 1.020 120.964 119.914 0.050 0.000 2.283 402 V HA -0.159 3.962 4.120 0.003 0.000 0.243 402 V C 2.253 178.379 176.094 0.052 0.000 1.039 402 V CA 1.627 63.954 62.300 0.045 0.000 1.016 402 V CB -0.909 30.944 31.823 0.050 0.000 0.650 402 V HN 0.296 nan 8.190 nan 0.000 0.449 403 T N 0.531 115.121 114.554 0.061 0.000 2.624 403 T HA -0.226 4.125 4.350 0.003 0.000 0.268 403 T C 1.921 176.524 174.700 -0.161 0.000 1.041 403 T CA 1.893 64.005 62.100 0.019 0.000 1.159 403 T CB -0.914 67.995 68.868 0.068 0.000 0.863 403 T HN 0.639 nan 8.240 nan 0.000 0.434 404 G N 1.783 110.482 108.800 -0.169 0.000 2.545 404 G HA2 -0.332 3.629 3.960 0.003 0.000 0.222 404 G HA3 -0.332 3.629 3.960 0.003 0.000 0.222 404 G C 1.275 176.311 174.900 0.228 0.000 1.126 404 G CA 1.534 46.631 45.100 -0.005 0.000 0.754 404 G HN 0.449 nan 8.290 nan 0.000 0.583 405 D N 0.354 120.856 120.400 0.170 0.000 2.084 405 D HA -0.042 4.599 4.640 0.003 0.000 0.196 405 D C 2.713 179.122 176.300 0.181 0.000 0.985 405 D CA 0.447 54.597 54.000 0.251 0.000 0.826 405 D CB -0.458 40.422 40.800 0.134 0.000 0.978 405 D HN 0.307 nan 8.370 nan 0.000 0.456 406 L N 0.748 122.049 121.223 0.129 0.000 2.017 406 L HA -0.168 4.173 4.340 0.003 0.000 0.208 406 L C 2.533 179.589 176.870 0.309 0.000 1.073 406 L CA 1.285 56.217 54.840 0.155 0.000 0.745 406 L CB -0.867 41.227 42.059 0.059 0.000 0.894 406 L HN 0.066 nan 8.230 nan 0.000 0.432 407 T N -0.075 114.657 114.554 0.297 0.000 2.570 407 T HA -0.230 4.121 4.350 0.003 0.000 0.266 407 T C 1.768 176.340 174.700 -0.213 0.000 1.071 407 T CA 1.780 63.838 62.100 -0.070 0.000 1.172 407 T CB -0.833 67.823 68.868 -0.354 0.000 0.864 407 T HN 0.586 nan 8.240 nan 0.000 0.421 408 G N 0.767 109.335 108.800 -0.386 0.000 2.476 408 G HA2 -0.260 3.701 3.960 0.003 0.000 0.218 408 G HA3 -0.260 3.701 3.960 0.003 0.000 0.218 408 G C 1.737 176.250 174.900 -0.645 0.000 1.164 408 G CA 1.685 46.005 45.100 -1.299 0.000 0.768 408 G HN 0.489 nan 8.290 nan 0.000 0.560 409 T N 1.752 116.166 114.554 -0.234 0.000 2.622 409 T HA -0.065 4.287 4.350 0.003 0.000 0.266 409 T C 2.839 177.493 174.700 -0.075 0.000 1.047 409 T CA 2.013 64.060 62.100 -0.088 0.000 1.159 409 T CB -0.647 68.251 68.868 0.050 0.000 0.863 409 T HN 0.409 nan 8.240 nan 0.000 0.422 410 A N 1.064 123.883 122.820 -0.002 0.000 1.873 410 A HA -0.127 4.195 4.320 0.003 0.000 0.218 410 A C 2.340 179.903 177.584 -0.035 0.000 1.193 410 A CA 1.719 53.788 52.037 0.053 0.000 0.629 410 A CB -1.055 18.102 19.000 0.262 0.000 0.826 410 A HN 0.525 nan 8.150 nan 0.000 0.447 411 I N -0.598 119.876 120.570 -0.160 0.000 2.118 411 I HA -0.270 3.901 4.170 0.003 0.000 0.241 411 I C 2.344 178.341 176.117 -0.200 0.000 1.070 411 I CA 1.687 62.830 61.300 -0.262 0.000 1.327 411 I CB -0.219 37.465 38.000 -0.526 0.000 1.034 411 I HN 0.195 nan 8.210 nan 0.000 0.405 412 V N 0.601 120.375 119.914 -0.234 0.000 2.548 412 V HA -0.190 3.932 4.120 0.003 0.000 0.249 412 V C 2.548 178.613 176.094 -0.049 0.000 1.055 412 V CA 1.533 63.748 62.300 -0.141 0.000 1.065 412 V CB -0.794 30.928 31.823 -0.168 0.000 0.681 412 V HN 0.491 nan 8.190 nan 0.000 0.462 413 A N -0.092 122.708 122.820 -0.033 0.000 1.940 413 A HA -0.268 4.054 4.320 0.003 0.000 0.219 413 A C 2.331 179.928 177.584 0.022 0.000 1.176 413 A CA 2.199 54.243 52.037 0.011 0.000 0.631 413 A CB -0.395 18.628 19.000 0.037 0.000 0.814 413 A HN 0.516 nan 8.150 nan 0.000 0.446 414 K N -0.926 119.492 120.400 0.030 0.000 2.167 414 K HA -0.065 4.257 4.320 0.003 0.000 0.203 414 K C 1.840 178.482 176.600 0.071 0.000 1.052 414 K CA 1.420 57.740 56.287 0.055 0.000 0.956 414 K CB -0.132 32.417 32.500 0.083 0.000 0.735 414 K HN 0.490 nan 8.250 nan 0.000 0.451 415 T N 0.419 115.022 114.554 0.082 0.000 2.777 415 T HA -0.118 4.233 4.350 0.003 0.000 0.266 415 T C 0.872 175.599 174.700 0.045 0.000 1.040 415 T CA 1.007 63.163 62.100 0.092 0.000 1.141 415 T CB -0.104 68.827 68.868 0.105 0.000 0.868 415 T HN 0.255 nan 8.240 nan 0.000 0.444 416 E N 0.000 120.215 120.200 0.025 0.000 2.725 416 E HA 0.000 4.352 4.350 0.003 0.000 0.291 416 E CA 0.000 56.406 56.400 0.010 0.000 0.976 416 E CB 0.000 29.698 29.700 -0.003 0.000 0.812 416 E HN 0.000 nan 8.360 nan 0.000 0.440