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 2f0y_1_B DATA FIRST_RESID 21 DATA SEQUENCE EPLYSLRPEH ARERLQDDSV ETVTSIEQAK VEEKIQEVFS SYKXXXXXXR DATA SEQUENCE LVLQREKHFH YLKRGLRQLT DAYECLDASR PWLCYWILHS LELLDEPIPQ DATA SEQUENCE IVATDVCQFL ELCQSPEGGF GGGPGQYPHL APTYAAVNAL CIIGTEEAYD DATA SEQUENCE IINREKLLQY LYSLKQPDGS FLMHVGGEVD VRSAYCAASV ASLTNIITPD DATA SEQUENCE LFEGTAEWIA RCQNWEGGIG GVPGMEAHGG YTFCGLAALV ILKRERSLNL DATA SEQUENCE KSLLQWVTSR QMRFEGGFQG RCNKLVDGCY SFWQAGLLPL LHRALHAQGD DATA SEQUENCE PALSMSHWMF HQQALQEYIL MCCQCPAGGL LDKPGKSRDF YHTCYCLSGL DATA SEQUENCE SIAQHFGSGA MLHDVVLGVP ENALQPTHPV YNIGPDKVIQ ATTYFLQKPV DATA SEQUENCE P 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 21 E HA 0.000 nan 4.350 nan 0.000 0.291 21 E C 0.000 176.588 176.600 -0.021 0.000 1.382 21 E CA 0.000 56.388 56.400 -0.019 0.000 0.976 21 E CB 0.000 29.679 29.700 -0.034 0.000 0.812 22 P HA 0.060 nan 4.420 nan 0.000 0.245 22 P C -0.069 177.228 177.300 -0.004 0.000 1.212 22 P CA 0.235 63.335 63.100 0.000 0.000 0.774 22 P CB 0.215 31.919 31.700 0.006 0.000 0.999 23 L N -0.445 120.753 121.223 -0.041 0.000 2.275 23 L HA 0.284 4.624 4.340 -0.000 0.000 0.288 23 L C 1.722 178.520 176.870 -0.119 0.000 1.046 23 L CA -1.008 53.784 54.840 -0.080 0.000 0.805 23 L CB 0.867 42.842 42.059 -0.141 0.000 1.193 23 L HN -0.203 nan 8.230 nan 0.000 0.426 24 Y N 2.257 122.429 120.300 -0.212 0.000 2.333 24 Y HA -0.251 4.299 4.550 -0.000 0.000 0.290 24 Y C 2.209 177.748 175.900 -0.601 0.000 1.144 24 Y CA 1.851 59.799 58.100 -0.253 0.000 1.228 24 Y CB 0.430 38.782 38.460 -0.181 0.000 0.985 24 Y HN 0.703 nan 8.280 nan 0.000 0.542 25 S N -0.254 115.060 115.700 -0.644 0.000 2.446 25 S HA 0.034 4.504 4.470 -0.000 0.000 0.225 25 S C 1.457 175.358 174.600 -1.165 0.000 1.016 25 S CA 0.839 58.199 58.200 -1.399 0.000 0.943 25 S CB -0.027 62.310 63.200 -1.438 0.000 0.786 25 S HN 0.423 nan 8.310 nan 0.000 0.508 26 L N 0.767 121.624 121.223 -0.610 0.000 2.640 26 L HA 0.269 4.609 4.340 -0.000 0.000 0.230 26 L C 0.682 177.477 176.870 -0.126 0.000 1.123 26 L CA -0.088 54.574 54.840 -0.297 0.000 0.900 26 L CB 0.110 42.048 42.059 -0.202 0.000 1.146 26 L HN 0.050 nan 8.230 nan 0.000 0.484 27 R N 0.352 120.769 120.500 -0.138 0.000 2.652 27 R HA 0.138 4.478 4.340 -0.000 0.000 0.271 27 R C -1.437 174.875 176.300 0.019 0.000 1.129 27 R CA -1.370 54.698 56.100 -0.054 0.000 1.200 27 R CB 0.014 30.265 30.300 -0.081 0.000 1.146 27 R HN -0.214 nan 8.270 nan 0.000 0.581 28 P HA -0.064 nan 4.420 nan 0.000 0.218 28 P C 0.162 177.482 177.300 0.034 0.000 1.152 28 P CA 1.006 64.128 63.100 0.037 0.000 0.826 28 P CB 0.312 32.025 31.700 0.021 0.000 0.790 29 E N -1.251 118.954 120.200 0.008 0.000 2.110 29 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 29 E C 1.945 178.537 176.600 -0.014 0.000 0.988 29 E CA 1.131 57.525 56.400 -0.010 0.000 0.804 29 E CB -1.392 28.290 29.700 -0.029 0.000 0.745 29 E HN 0.432 nan 8.360 nan 0.000 0.458 30 H N 0.754 119.751 119.070 -0.122 0.000 2.457 30 H HA 0.019 4.575 4.556 -0.000 0.000 0.297 30 H C 1.603 176.983 175.328 0.086 0.000 1.092 30 H CA 1.414 57.379 56.048 -0.137 0.000 1.309 30 H CB -0.138 29.458 29.762 -0.275 0.000 1.382 30 H HN 0.188 nan 8.280 nan 0.000 0.535 31 A N 0.478 123.336 122.820 0.063 0.000 2.248 31 A HA -0.028 4.292 4.320 -0.000 0.000 0.210 31 A C 2.036 179.619 177.584 -0.001 0.000 1.174 31 A CA 0.598 52.705 52.037 0.117 0.000 0.750 31 A CB -0.361 18.718 19.000 0.133 0.000 0.780 31 A HN 0.492 nan 8.150 nan 0.000 0.478 32 R N -0.431 120.040 120.500 -0.047 0.000 2.280 32 R HA 0.033 4.373 4.340 -0.000 0.000 0.195 32 R C 0.544 176.799 176.300 -0.076 0.000 0.935 32 R CA 0.280 56.345 56.100 -0.058 0.000 1.033 32 R CB 0.132 30.408 30.300 -0.039 0.000 0.964 32 R HN 0.446 nan 8.270 nan 0.000 0.489 33 E N 1.061 121.215 120.200 -0.077 0.000 2.516 33 E HA -0.021 4.329 4.350 -0.000 0.000 0.199 33 E C 0.244 176.784 176.600 -0.099 0.000 1.069 33 E CA 0.300 56.687 56.400 -0.021 0.000 0.876 33 E CB 0.047 29.777 29.700 0.049 0.000 0.843 33 E HN 0.091 nan 8.360 nan 0.000 0.530 34 R N 1.095 121.405 120.500 -0.317 0.000 2.698 34 R HA 0.009 4.349 4.340 -0.000 0.000 0.266 34 R C 0.644 176.793 176.300 -0.252 0.000 1.026 34 R CA -0.445 55.350 56.100 -0.508 0.000 1.102 34 R CB -0.013 29.991 30.300 -0.493 0.000 0.978 34 R HN 0.064 nan 8.270 nan 0.000 0.436 35 L N 2.227 123.314 121.223 -0.227 0.000 2.559 35 L HA -0.112 4.228 4.340 -0.000 0.000 0.282 35 L C 0.091 176.900 176.870 -0.101 0.000 1.232 35 L CA 1.196 55.959 54.840 -0.128 0.000 0.885 35 L CB 0.210 42.205 42.059 -0.107 0.000 1.131 35 L HN 0.434 nan 8.230 nan 0.000 0.498 36 Q N 3.220 122.978 119.800 -0.069 0.000 2.509 36 Q HA 0.134 4.474 4.340 -0.000 0.000 0.236 36 Q C -0.081 175.895 176.000 -0.040 0.000 1.073 36 Q CA -0.023 55.748 55.803 -0.053 0.000 0.867 36 Q CB 0.451 29.164 28.738 -0.042 0.000 1.181 36 Q HN 0.827 nan 8.270 nan 0.000 0.526 37 D N 0.441 120.817 120.400 -0.041 0.000 2.338 37 D HA -0.109 4.531 4.640 -0.000 0.000 0.239 37 D C -0.414 175.872 176.300 -0.023 0.000 1.095 37 D CA -0.133 53.849 54.000 -0.031 0.000 0.888 37 D CB 0.213 40.994 40.800 -0.032 0.000 0.899 37 D HN 0.313 nan 8.370 nan 0.000 0.525 38 D N -0.003 120.383 120.400 -0.023 0.000 2.782 38 D HA -0.274 4.366 4.640 -0.000 0.000 0.231 38 D C 0.025 176.315 176.300 -0.016 0.000 1.163 38 D CA 1.189 55.178 54.000 -0.018 0.000 0.680 38 D CB -1.660 39.132 40.800 -0.013 0.000 1.062 38 D HN 0.338 nan 8.370 nan 0.000 0.425 39 S N -3.062 112.627 115.700 -0.020 0.000 3.476 39 S HA -0.225 4.245 4.470 -0.000 0.000 0.309 39 S C 0.288 174.880 174.600 -0.014 0.000 1.222 39 S CA 0.968 59.158 58.200 -0.017 0.000 0.922 39 S CB -0.852 62.339 63.200 -0.015 0.000 1.023 39 S HN 0.411 nan 8.310 nan 0.000 0.591 40 V N 1.324 121.230 119.914 -0.014 0.000 2.628 40 V HA 0.506 4.626 4.120 -0.000 0.000 0.306 40 V C 0.187 176.275 176.094 -0.011 0.000 1.045 40 V CA -0.682 61.611 62.300 -0.011 0.000 0.905 40 V CB 2.010 33.828 31.823 -0.008 0.000 0.997 40 V HN 0.300 nan 8.190 nan 0.000 0.436 41 E N 2.378 122.572 120.200 -0.009 0.000 2.222 41 E HA 0.701 5.051 4.350 -0.000 0.000 0.267 41 E C -0.816 175.781 176.600 -0.005 0.000 0.884 41 E CA -0.571 55.824 56.400 -0.009 0.000 0.764 41 E CB 2.528 32.222 29.700 -0.010 0.000 1.169 41 E HN 0.857 nan 8.360 nan 0.000 0.413 42 T N -2.665 111.886 114.554 -0.004 0.000 2.864 42 T HA 0.203 4.553 4.350 -0.000 0.000 0.299 42 T C 0.929 175.630 174.700 0.001 0.000 1.166 42 T CA -0.780 61.321 62.100 0.001 0.000 1.007 42 T CB 1.020 69.891 68.868 0.004 0.000 1.219 42 T HN 0.097 nan 8.240 nan 0.000 0.506 43 V N 0.868 120.786 119.914 0.005 0.000 2.828 43 V HA -0.150 3.970 4.120 -0.000 0.000 0.260 43 V C 2.596 178.695 176.094 0.007 0.000 1.101 43 V CA 2.285 64.589 62.300 0.007 0.000 1.123 43 V CB -1.650 30.180 31.823 0.011 0.000 0.704 43 V HN 1.071 nan 8.190 nan 0.000 0.493 44 T N 0.521 115.080 114.554 0.008 0.000 2.770 44 T HA -0.136 4.214 4.350 -0.000 0.000 0.258 44 T C 2.193 176.892 174.700 -0.002 0.000 1.039 44 T CA 1.736 63.840 62.100 0.007 0.000 1.143 44 T CB -0.318 68.557 68.868 0.011 0.000 0.866 44 T HN 0.741 nan 8.240 nan 0.000 0.428 45 S N 1.881 117.577 115.700 -0.007 0.000 2.368 45 S HA -0.066 4.404 4.470 -0.000 0.000 0.225 45 S C 2.120 176.708 174.600 -0.020 0.000 1.030 45 S CA 0.883 59.073 58.200 -0.017 0.000 0.999 45 S CB -0.929 62.260 63.200 -0.019 0.000 0.844 45 S HN 0.485 nan 8.310 nan 0.000 0.459 46 I N 1.828 122.389 120.570 -0.014 0.000 2.127 46 I HA -0.161 4.009 4.170 -0.000 0.000 0.241 46 I C 2.964 179.073 176.117 -0.013 0.000 1.075 46 I CA 1.646 62.937 61.300 -0.015 0.000 1.334 46 I CB -0.485 37.510 38.000 -0.009 0.000 1.040 46 I HN 0.271 nan 8.210 nan 0.000 0.405 47 E N 0.373 120.569 120.200 -0.005 0.000 2.110 47 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 47 E C 2.048 178.647 176.600 -0.003 0.000 0.988 47 E CA 1.118 57.517 56.400 -0.000 0.000 0.804 47 E CB -0.344 29.362 29.700 0.009 0.000 0.745 47 E HN 0.384 nan 8.360 nan 0.000 0.458 48 Q N 0.719 120.514 119.800 -0.009 0.000 2.124 48 Q HA -0.023 4.317 4.340 -0.000 0.000 0.202 48 Q C 1.889 177.872 176.000 -0.029 0.000 0.977 48 Q CA 1.845 57.639 55.803 -0.014 0.000 0.850 48 Q CB -0.455 28.270 28.738 -0.022 0.000 0.901 48 Q HN 0.209 nan 8.270 nan 0.000 0.429 49 A N 0.132 122.928 122.820 -0.041 0.000 1.968 49 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 49 A C 1.938 179.494 177.584 -0.047 0.000 1.169 49 A CA 1.348 53.348 52.037 -0.062 0.000 0.638 49 A CB -0.298 18.666 19.000 -0.060 0.000 0.812 49 A HN 0.359 nan 8.150 nan 0.000 0.446 50 K N -0.449 119.935 120.400 -0.026 0.000 2.155 50 K HA -0.009 4.311 4.320 -0.000 0.000 0.203 50 K C 1.779 178.374 176.600 -0.009 0.000 1.052 50 K CA 1.221 57.498 56.287 -0.017 0.000 0.948 50 K CB -0.169 32.326 32.500 -0.009 0.000 0.728 50 K HN 0.316 nan 8.250 nan 0.000 0.448 51 V N 1.733 121.648 119.914 0.002 0.000 2.407 51 V HA -0.173 3.947 4.120 -0.000 0.000 0.245 51 V C 1.978 178.090 176.094 0.030 0.000 1.041 51 V CA 1.561 63.873 62.300 0.020 0.000 1.040 51 V CB -0.319 31.527 31.823 0.039 0.000 0.671 51 V HN 0.293 nan 8.190 nan 0.000 0.455 52 E N -0.116 120.099 120.200 0.024 0.000 2.085 52 E HA -0.273 4.077 4.350 -0.000 0.000 0.194 52 E C 2.256 178.867 176.600 0.020 0.000 0.994 52 E CA 1.392 57.818 56.400 0.044 0.000 0.801 52 E CB -0.116 29.490 29.700 -0.157 0.000 0.743 52 E HN 0.620 nan 8.360 nan 0.000 0.453 53 E N 0.896 121.078 120.200 -0.029 0.000 2.031 53 E HA -0.232 4.118 4.350 -0.000 0.000 0.193 53 E C 2.066 178.661 176.600 -0.009 0.000 0.994 53 E CA 1.162 57.548 56.400 -0.023 0.000 0.800 53 E CB 0.041 29.724 29.700 -0.028 0.000 0.752 53 E HN -0.075 nan 8.360 nan 0.000 0.447 54 K N 0.478 120.868 120.400 -0.016 0.000 2.147 54 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 54 K C 1.849 178.403 176.600 -0.077 0.000 1.049 54 K CA 0.753 57.023 56.287 -0.029 0.000 0.936 54 K CB -0.066 32.420 32.500 -0.024 0.000 0.722 54 K HN 0.106 nan 8.250 nan 0.000 0.446 55 I N 0.737 121.245 120.570 -0.104 0.000 2.439 55 I HA -0.136 4.034 4.170 -0.000 0.000 0.251 55 I C 2.137 177.956 176.117 -0.496 0.000 1.139 55 I CA 1.018 62.107 61.300 -0.350 0.000 1.438 55 I CB -1.122 36.677 38.000 -0.336 0.000 1.085 55 I HN 0.296 nan 8.210 nan 0.000 0.427 56 Q N 1.827 121.574 119.800 -0.088 0.000 2.002 56 Q HA -0.228 4.112 4.340 -0.000 0.000 0.204 56 Q C 2.060 178.100 176.000 0.068 0.000 0.988 56 Q CA 2.140 57.998 55.803 0.091 0.000 0.843 56 Q CB -0.208 28.616 28.738 0.145 0.000 0.908 56 Q HN 0.571 nan 8.270 nan 0.000 0.420 57 E N -0.724 119.498 120.200 0.037 0.000 2.049 57 E HA -0.209 4.141 4.350 -0.000 0.000 0.198 57 E C 2.065 178.719 176.600 0.090 0.000 1.007 57 E CA 1.717 58.155 56.400 0.063 0.000 0.809 57 E CB -0.433 29.289 29.700 0.037 0.000 0.749 57 E HN 0.210 nan 8.360 nan 0.000 0.450 58 V N 1.400 121.325 119.914 0.020 0.000 2.282 58 V HA -0.294 3.826 4.120 -0.000 0.000 0.249 58 V C 2.170 178.334 176.094 0.116 0.000 1.057 58 V CA 1.988 64.319 62.300 0.052 0.000 1.032 58 V CB -0.779 30.986 31.823 -0.097 0.000 0.645 58 V HN 0.271 nan 8.190 nan 0.000 0.447 59 F N 0.085 119.977 119.950 -0.096 0.000 2.026 59 F HA -0.266 4.261 4.527 0.000 0.000 0.296 59 F C 2.936 178.745 175.800 0.016 0.000 1.133 59 F CA 1.443 59.361 58.000 -0.136 0.000 1.188 59 F CB -0.669 38.280 39.000 -0.085 0.000 0.968 59 F HN 0.210 nan 8.300 nan 0.000 0.476 60 S N 0.154 116.030 115.700 0.294 0.000 2.434 60 S HA -0.389 4.081 4.470 -0.000 0.000 0.240 60 S C 2.238 176.969 174.600 0.219 0.000 1.052 60 S CA 2.383 60.709 58.200 0.209 0.000 1.198 60 S CB -1.131 62.165 63.200 0.160 0.000 1.124 60 S HN 0.468 nan 8.310 nan 0.000 0.426 61 S N -0.022 115.818 115.700 0.234 0.000 2.444 61 S HA -0.296 4.173 4.470 -0.000 0.000 0.274 61 S C 1.705 176.439 174.600 0.223 0.000 1.130 61 S CA 2.512 60.847 58.200 0.224 0.000 1.243 61 S CB -1.354 62.008 63.200 0.271 0.000 1.166 61 S HN 0.700 nan 8.310 nan 0.000 0.439 62 Y N 2.777 123.102 120.300 0.043 0.000 2.139 62 Y HA -0.071 4.479 4.550 -0.000 0.000 0.282 62 Y C 1.678 177.583 175.900 0.010 0.000 1.179 62 Y CA 1.395 59.508 58.100 0.020 0.000 1.161 62 Y CB -1.013 37.456 38.460 0.015 0.000 0.970 62 Y HN 0.604 nan 8.280 nan 0.000 0.511 71 L N 2.174 123.435 121.223 0.062 0.000 2.455 71 L HA 0.298 4.637 4.340 -0.000 0.000 0.272 71 L C -0.179 176.724 176.870 0.055 0.000 1.174 71 L CA -0.087 54.802 54.840 0.082 0.000 0.869 71 L CB 0.665 42.772 42.059 0.079 0.000 1.130 71 L HN 0.267 nan 8.230 nan 0.000 0.474 72 V N 4.266 124.213 119.914 0.055 0.000 2.735 72 V HA 0.277 4.397 4.120 -0.000 0.000 0.310 72 V C -0.294 175.829 176.094 0.047 0.000 1.061 72 V CA -0.732 61.590 62.300 0.038 0.000 0.913 72 V CB 2.344 34.175 31.823 0.014 0.000 1.005 72 V HN 0.466 nan 8.190 nan 0.000 0.428 73 L N 4.431 125.686 121.223 0.053 0.000 2.302 73 L HA 0.395 4.735 4.340 -0.000 0.000 0.285 73 L C 0.933 177.839 176.870 0.061 0.000 1.090 73 L CA 0.218 55.112 54.840 0.091 0.000 0.866 73 L CB 0.716 42.837 42.059 0.103 0.000 1.244 73 L HN 0.647 nan 8.230 nan 0.000 0.435 74 Q N 4.049 123.826 119.800 -0.039 0.000 1.733 74 Q HA -0.141 4.199 4.340 -0.000 0.000 0.097 74 Q C 1.166 177.033 176.000 -0.221 0.000 0.678 74 Q CA 0.388 56.066 55.803 -0.207 0.000 1.072 74 Q CB -0.626 27.880 28.738 -0.387 0.000 1.425 74 Q HN 0.710 nan 8.270 nan 0.000 0.299 75 R N 0.671 121.186 120.500 0.025 0.000 2.154 75 R HA -0.277 4.062 4.340 -0.000 0.000 0.236 75 R C 2.019 178.405 176.300 0.143 0.000 1.121 75 R CA 2.051 58.228 56.100 0.129 0.000 0.915 75 R CB -0.216 30.131 30.300 0.078 0.000 0.856 75 R HN 0.358 nan 8.270 nan 0.000 0.431 76 E N 0.848 121.095 120.200 0.079 0.000 2.055 76 E HA -0.253 4.097 4.350 -0.000 0.000 0.209 76 E C 1.826 178.534 176.600 0.179 0.000 1.036 76 E CA 1.772 58.251 56.400 0.132 0.000 0.849 76 E CB -0.023 29.711 29.700 0.056 0.000 0.767 76 E HN 0.025 nan 8.360 nan 0.000 0.461 77 K N -0.307 120.115 120.400 0.037 0.000 2.089 77 K HA -0.206 4.114 4.320 -0.000 0.000 0.210 77 K C 2.201 178.865 176.600 0.106 0.000 1.048 77 K CA 1.803 58.093 56.287 0.005 0.000 0.926 77 K CB -0.588 31.819 32.500 -0.155 0.000 0.714 77 K HN 0.442 nan 8.250 nan 0.000 0.448 78 H N -0.978 118.193 119.070 0.169 0.000 2.363 78 H HA -0.082 4.474 4.556 -0.000 0.000 0.301 78 H C 1.972 177.458 175.328 0.263 0.000 1.074 78 H CA 0.974 57.142 56.048 0.201 0.000 1.354 78 H CB -0.647 29.204 29.762 0.149 0.000 1.397 78 H HN 0.136 nan 8.280 nan 0.000 0.516 79 F N 1.744 121.836 119.950 0.237 0.000 2.065 79 F HA -0.283 4.243 4.527 -0.000 0.000 0.298 79 F C 2.887 178.780 175.800 0.155 0.000 1.112 79 F CA 2.027 60.120 58.000 0.156 0.000 1.212 79 F CB -0.596 38.468 39.000 0.107 0.000 0.975 79 F HN 0.265 nan 8.300 nan 0.000 0.476 80 H N -1.263 117.853 119.070 0.077 0.000 2.319 80 H HA -0.273 4.283 4.556 -0.000 0.000 0.299 80 H C 2.273 177.608 175.328 0.011 0.000 1.092 80 H CA 2.300 58.334 56.048 -0.024 0.000 1.302 80 H CB -1.028 28.784 29.762 0.082 0.000 1.373 80 H HN 0.414 nan 8.280 nan 0.000 0.497 81 Y N 1.351 121.645 120.300 -0.009 0.000 2.053 81 Y HA -0.267 4.283 4.550 -0.000 0.000 0.277 81 Y C 2.846 178.766 175.900 0.032 0.000 1.159 81 Y CA 1.917 60.024 58.100 0.012 0.000 1.125 81 Y CB -0.913 37.606 38.460 0.098 0.000 0.969 81 Y HN 0.158 nan 8.280 nan 0.000 0.492 82 L N 0.258 121.474 121.223 -0.012 0.000 1.989 82 L HA -0.302 4.038 4.340 -0.000 0.000 0.211 82 L C 2.711 179.387 176.870 -0.323 0.000 1.071 82 L CA 2.189 56.958 54.840 -0.118 0.000 0.749 82 L CB -0.698 41.329 42.059 -0.052 0.000 0.890 82 L HN 0.196 nan 8.230 nan 0.000 0.431 83 K N -0.052 120.048 120.400 -0.500 0.000 2.044 83 K HA -0.298 4.022 4.320 -0.000 0.000 0.210 83 K C 2.317 178.665 176.600 -0.419 0.000 1.049 83 K CA 1.900 57.850 56.287 -0.561 0.000 0.927 83 K CB -0.033 31.977 32.500 -0.818 0.000 0.713 83 K HN -0.007 nan 8.250 nan 0.000 0.443 84 R N -0.015 120.216 120.500 -0.448 0.000 2.075 84 R HA -0.072 4.268 4.340 -0.000 0.000 0.230 84 R C 2.307 178.416 176.300 -0.319 0.000 1.140 84 R CA 2.129 58.014 56.100 -0.359 0.000 0.928 84 R CB -1.232 28.830 30.300 -0.396 0.000 0.834 84 R HN 0.419 nan 8.270 nan 0.000 0.429 85 G N 1.242 109.838 108.800 -0.340 0.000 2.624 85 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.221 85 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.221 85 G C 1.309 175.854 174.900 -0.592 0.000 1.169 85 G CA 1.281 46.061 45.100 -0.533 0.000 0.771 85 G HN 0.391 nan 8.290 nan 0.000 0.598 86 L N 0.035 120.947 121.223 -0.519 0.000 2.151 86 L HA -0.111 4.229 4.340 -0.000 0.000 0.215 86 L C 2.573 179.234 176.870 -0.349 0.000 1.084 86 L CA 2.424 57.016 54.840 -0.415 0.000 0.764 86 L CB -0.293 41.576 42.059 -0.317 0.000 0.891 86 L HN 0.225 nan 8.230 nan 0.000 0.435 87 R N -1.615 118.701 120.500 -0.308 0.000 2.142 87 R HA 0.296 4.636 4.340 -0.000 0.000 0.204 87 R C 0.286 176.444 176.300 -0.237 0.000 1.059 87 R CA 0.510 56.462 56.100 -0.248 0.000 1.055 87 R CB 0.296 30.482 30.300 -0.189 0.000 0.976 87 R HN 0.476 nan 8.270 nan 0.000 0.483 88 Q N -0.580 119.078 119.800 -0.235 0.000 2.377 88 Q HA 0.534 4.874 4.340 -0.000 0.000 0.279 88 Q C -1.701 174.177 176.000 -0.202 0.000 1.049 88 Q CA -0.679 55.012 55.803 -0.187 0.000 0.825 88 Q CB 2.605 31.272 28.738 -0.119 0.000 1.401 88 Q HN 0.014 nan 8.270 nan 0.000 0.404 89 L N 0.732 121.857 121.223 -0.162 0.000 2.371 89 L HA 0.582 4.922 4.340 -0.000 0.000 0.262 89 L C 0.293 177.175 176.870 0.020 0.000 1.006 89 L CA -0.955 53.796 54.840 -0.148 0.000 0.818 89 L CB 2.200 44.068 42.059 -0.319 0.000 1.354 89 L HN 0.760 nan 8.230 nan 0.000 0.415 90 T N -3.389 111.243 114.554 0.129 0.000 2.726 90 T HA 0.032 4.382 4.350 -0.000 0.000 0.294 90 T C 0.736 175.550 174.700 0.190 0.000 1.013 90 T CA -0.154 62.040 62.100 0.157 0.000 0.996 90 T CB 0.536 69.516 68.868 0.187 0.000 1.016 90 T HN 0.749 nan 8.240 nan 0.000 0.529 91 D N -0.461 120.019 120.400 0.134 0.000 2.390 91 D HA 0.060 4.700 4.640 -0.000 0.000 0.235 91 D C 1.781 178.159 176.300 0.129 0.000 1.040 91 D CA 0.674 54.745 54.000 0.118 0.000 0.923 91 D CB -0.686 40.160 40.800 0.075 0.000 0.886 91 D HN 0.659 nan 8.370 nan 0.000 0.532 92 A N -0.278 122.647 122.820 0.175 0.000 2.014 92 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 92 A C 1.022 178.607 177.584 0.003 0.000 1.163 92 A CA 0.474 52.567 52.037 0.094 0.000 0.652 92 A CB -0.793 18.277 19.000 0.116 0.000 0.808 92 A HN 0.302 nan 8.150 nan 0.000 0.449 93 Y N 0.751 121.110 120.300 0.098 0.000 2.537 93 Y HA 0.164 4.714 4.550 0.000 0.000 0.303 93 Y C 1.605 177.556 175.900 0.085 0.000 1.176 93 Y CA -0.093 58.074 58.100 0.112 0.000 1.273 93 Y CB -0.279 38.260 38.460 0.131 0.000 1.110 93 Y HN 0.461 nan 8.280 nan 0.000 0.518 94 E N -0.746 119.534 120.200 0.133 0.000 2.274 94 E HA -0.157 4.193 4.350 -0.000 0.000 0.194 94 E C 1.952 178.596 176.600 0.073 0.000 0.996 94 E CA 1.162 57.621 56.400 0.098 0.000 0.840 94 E CB -0.112 29.629 29.700 0.068 0.000 0.772 94 E HN 0.655 nan 8.360 nan 0.000 0.491 95 C N -0.706 118.624 119.300 0.049 0.000 2.468 95 C HA 0.139 4.599 4.460 -0.000 0.000 0.277 95 C C 1.752 176.779 174.990 0.061 0.000 1.400 95 C CA -0.263 58.774 59.018 0.032 0.000 1.770 95 C CB -0.820 26.916 27.740 -0.007 0.000 1.905 95 C HN 0.186 nan 8.230 nan 0.000 0.519 96 L N 1.231 122.522 121.223 0.113 0.000 3.017 96 L HA 0.236 4.576 4.340 -0.000 0.000 0.255 96 L C 1.538 178.512 176.870 0.174 0.000 1.247 96 L CA 0.154 55.097 54.840 0.172 0.000 1.038 96 L CB -0.321 41.914 42.059 0.293 0.000 1.380 96 L HN 0.195 nan 8.230 nan 0.000 0.548 97 D N 1.523 122.000 120.400 0.128 0.000 2.144 97 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 97 D C 1.874 178.234 176.300 0.100 0.000 0.978 97 D CA 1.202 55.269 54.000 0.112 0.000 0.833 97 D CB 0.444 41.293 40.800 0.081 0.000 0.961 97 D HN 0.280 nan 8.370 nan 0.000 0.470 98 A N -0.839 122.028 122.820 0.078 0.000 2.411 98 A HA 0.342 4.662 4.320 -0.000 0.000 0.251 98 A C 0.735 178.370 177.584 0.085 0.000 1.317 98 A CA -0.064 52.006 52.037 0.055 0.000 0.904 98 A CB 0.185 19.192 19.000 0.012 0.000 0.993 98 A HN 0.073 nan 8.150 nan 0.000 0.504 99 S N -0.842 114.944 115.700 0.144 0.000 2.941 99 S HA 0.171 4.641 4.470 -0.000 0.000 0.248 99 S C 1.097 175.814 174.600 0.196 0.000 0.962 99 S CA -0.538 57.803 58.200 0.235 0.000 1.092 99 S CB 0.112 63.462 63.200 0.249 0.000 1.113 99 S HN 0.622 nan 8.310 nan 0.000 0.512 100 R N 1.784 122.384 120.500 0.166 0.000 2.092 100 R HA -0.031 4.309 4.340 -0.000 0.000 0.231 100 R C -1.135 175.238 176.300 0.121 0.000 1.119 100 R CA 1.229 57.429 56.100 0.167 0.000 0.970 100 R CB -1.331 29.148 30.300 0.298 0.000 0.864 100 R HN 0.290 nan 8.270 nan 0.000 0.440 101 P HA -0.149 nan 4.420 nan 0.000 0.220 101 P C 0.406 177.558 177.300 -0.248 0.000 1.148 101 P CA 1.014 64.064 63.100 -0.083 0.000 0.803 101 P CB -0.055 31.523 31.700 -0.204 0.000 0.782 102 W N -0.529 120.590 121.300 -0.301 0.000 2.379 102 W HA -0.087 4.573 4.660 0.000 0.000 0.307 102 W C 2.099 178.128 176.519 -0.815 0.000 1.200 102 W CA 0.549 57.453 57.345 -0.736 0.000 1.297 102 W CB -0.917 27.898 29.460 -1.075 0.000 1.140 102 W HN -0.152 nan 8.180 nan 0.000 0.507 103 L N -0.966 120.156 121.223 -0.168 0.000 2.079 103 L HA -0.300 4.040 4.340 -0.000 0.000 0.210 103 L C 2.336 179.162 176.870 -0.074 0.000 1.081 103 L CA 1.071 55.918 54.840 0.012 0.000 0.752 103 L CB -0.984 41.078 42.059 0.005 0.000 0.896 103 L HN 0.117 nan 8.230 nan 0.000 0.433 104 C N -1.407 117.833 119.300 -0.099 0.000 2.473 104 C HA -0.212 4.248 4.460 -0.000 0.000 0.279 104 C C 2.734 177.693 174.990 -0.051 0.000 1.250 104 C CA 0.596 59.554 59.018 -0.100 0.000 1.713 104 C CB -0.760 26.944 27.740 -0.060 0.000 2.066 104 C HN 0.570 nan 8.230 nan 0.000 0.474 105 Y N 0.911 121.106 120.300 -0.175 0.000 2.081 105 Y HA -0.254 4.296 4.550 -0.000 0.000 0.280 105 Y C 2.330 178.280 175.900 0.084 0.000 1.163 105 Y CA 1.745 59.767 58.100 -0.129 0.000 1.135 105 Y CB -0.767 37.523 38.460 -0.283 0.000 0.970 105 Y HN 0.413 nan 8.280 nan 0.000 0.498 106 W N 0.570 121.784 121.300 -0.143 0.000 2.318 106 W HA -0.252 4.408 4.660 -0.000 0.000 0.313 106 W C 2.543 178.924 176.519 -0.231 0.000 1.221 106 W CA 1.622 58.817 57.345 -0.250 0.000 1.266 106 W CB -1.276 28.252 29.460 0.113 0.000 1.150 106 W HN 0.217 nan 8.180 nan 0.000 0.496 107 I N -0.470 120.131 120.570 0.051 0.000 2.193 107 I HA -0.285 3.885 4.170 -0.000 0.000 0.240 107 I C 2.425 178.484 176.117 -0.097 0.000 1.084 107 I CA 1.028 62.285 61.300 -0.071 0.000 1.365 107 I CB -0.950 36.898 38.000 -0.253 0.000 1.064 107 I HN -0.161 nan 8.210 nan 0.000 0.410 108 L N 0.121 121.284 121.223 -0.099 0.000 2.042 108 L HA -0.285 4.055 4.340 -0.000 0.000 0.210 108 L C 2.773 179.604 176.870 -0.064 0.000 1.076 108 L CA 1.623 56.420 54.840 -0.073 0.000 0.749 108 L CB -0.921 41.110 42.059 -0.047 0.000 0.893 108 L HN 0.330 nan 8.230 nan 0.000 0.432 109 H N -0.415 118.515 119.070 -0.233 0.000 2.421 109 H HA -0.103 4.453 4.556 -0.000 0.000 0.298 109 H C 2.322 177.528 175.328 -0.203 0.000 1.087 109 H CA 1.606 57.493 56.048 -0.268 0.000 1.330 109 H CB 0.135 29.560 29.762 -0.562 0.000 1.388 109 H HN 0.142 nan 8.280 nan 0.000 0.526 110 S N -0.471 115.076 115.700 -0.254 0.000 2.461 110 S HA 0.009 4.479 4.470 -0.000 0.000 0.228 110 S C 2.138 176.658 174.600 -0.132 0.000 1.005 110 S CA 0.668 58.728 58.200 -0.233 0.000 0.942 110 S CB 0.033 63.162 63.200 -0.117 0.000 0.776 110 S HN 0.367 nan 8.310 nan 0.000 0.514 111 L N 1.008 122.181 121.223 -0.084 0.000 2.179 111 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 111 L C 2.603 179.457 176.870 -0.027 0.000 1.096 111 L CA 1.005 55.846 54.840 0.001 0.000 0.779 111 L CB -0.366 41.700 42.059 0.011 0.000 0.922 111 L HN 0.365 nan 8.230 nan 0.000 0.443 112 E N 0.983 121.126 120.200 -0.094 0.000 2.006 112 E HA -0.222 4.128 4.350 -0.000 0.000 0.192 112 E C 2.382 178.913 176.600 -0.115 0.000 0.993 112 E CA 1.126 57.475 56.400 -0.085 0.000 0.808 112 E CB -0.075 29.582 29.700 -0.072 0.000 0.764 112 E HN 0.340 nan 8.360 nan 0.000 0.449 113 L N 0.700 121.772 121.223 -0.251 0.000 2.013 113 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 113 L C 2.524 179.345 176.870 -0.081 0.000 1.073 113 L CA 1.141 55.864 54.840 -0.196 0.000 0.753 113 L CB -0.298 41.572 42.059 -0.316 0.000 0.890 113 L HN 0.303 nan 8.230 nan 0.000 0.432 114 L N -0.223 120.962 121.223 -0.062 0.000 2.700 114 L HA -0.110 4.230 4.340 -0.000 0.000 0.240 114 L C 0.282 177.154 176.870 0.003 0.000 1.162 114 L CA 0.105 54.946 54.840 0.002 0.000 0.874 114 L CB -0.699 41.397 42.059 0.060 0.000 1.001 114 L HN 0.358 nan 8.230 nan 0.000 0.447 115 D N 1.490 121.885 120.400 -0.009 0.000 2.803 115 D HA -0.208 4.432 4.640 -0.000 0.000 0.233 115 D C -0.266 176.025 176.300 -0.014 0.000 1.182 115 D CA 0.609 54.605 54.000 -0.007 0.000 0.726 115 D CB -0.264 40.535 40.800 -0.002 0.000 0.987 115 D HN 0.288 nan 8.370 nan 0.000 0.412 116 E N 1.779 121.986 120.200 0.011 0.000 2.182 116 E HA 0.305 4.655 4.350 -0.000 0.000 0.258 116 E C -2.012 174.617 176.600 0.049 0.000 0.879 116 E CA -1.715 54.700 56.400 0.025 0.000 0.754 116 E CB 1.481 31.273 29.700 0.153 0.000 1.162 116 E HN 0.297 nan 8.360 nan 0.000 0.419 117 P HA 0.035 nan 4.420 nan 0.000 0.266 117 P C -0.241 177.081 177.300 0.037 0.000 1.193 117 P CA -0.003 63.108 63.100 0.017 0.000 0.770 117 P CB 0.829 32.530 31.700 0.002 0.000 0.836 118 I N 3.419 123.996 120.570 0.012 0.000 2.330 118 I HA 0.296 4.465 4.170 -0.000 0.000 0.289 118 I C -1.966 174.146 176.117 -0.009 0.000 1.001 118 I CA -2.976 58.325 61.300 0.002 0.000 1.193 118 I CB 0.192 38.179 38.000 -0.021 0.000 1.345 118 I HN 0.183 nan 8.210 nan 0.000 0.461 119 P HA 0.077 nan 4.420 nan 0.000 0.268 119 P C 0.638 177.923 177.300 -0.025 0.000 1.208 119 P CA -0.240 62.853 63.100 -0.011 0.000 0.777 119 P CB 0.750 32.445 31.700 -0.007 0.000 0.875 120 Q N 0.958 120.743 119.800 -0.026 0.000 2.369 120 Q HA -0.034 4.306 4.340 -0.000 0.000 0.206 120 Q C 1.581 177.561 176.000 -0.033 0.000 0.963 120 Q CA 1.155 56.938 55.803 -0.034 0.000 0.894 120 Q CB -0.309 28.410 28.738 -0.032 0.000 0.965 120 Q HN 0.580 nan 8.270 nan 0.000 0.475 121 I N -2.807 117.746 120.570 -0.028 0.000 2.585 121 I HA -0.075 4.095 4.170 -0.000 0.000 0.254 121 I C 2.066 178.162 176.117 -0.034 0.000 1.129 121 I CA 0.278 61.562 61.300 -0.028 0.000 1.455 121 I CB -0.609 37.377 38.000 -0.024 0.000 1.111 121 I HN -0.192 nan 8.210 nan 0.000 0.433 122 V N 2.090 121.981 119.914 -0.039 0.000 2.233 122 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 122 V C 3.073 179.136 176.094 -0.051 0.000 1.050 122 V CA 2.321 64.590 62.300 -0.052 0.000 1.010 122 V CB -1.128 30.663 31.823 -0.054 0.000 0.637 122 V HN 0.527 nan 8.190 nan 0.000 0.444 123 A N -0.544 122.247 122.820 -0.048 0.000 1.873 123 A HA -0.336 3.984 4.320 -0.000 0.000 0.218 123 A C 2.494 180.051 177.584 -0.045 0.000 1.193 123 A CA 3.049 55.053 52.037 -0.053 0.000 0.629 123 A CB -1.263 17.699 19.000 -0.063 0.000 0.826 123 A HN 0.502 nan 8.150 nan 0.000 0.447 124 T N -0.754 113.777 114.554 -0.039 0.000 2.708 124 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 124 T C 1.581 176.277 174.700 -0.007 0.000 1.037 124 T CA 1.927 64.011 62.100 -0.027 0.000 1.146 124 T CB -0.661 68.192 68.868 -0.026 0.000 0.865 124 T HN 0.479 nan 8.240 nan 0.000 0.435 125 D N 0.531 120.925 120.400 -0.010 0.000 2.182 125 D HA -0.075 4.565 4.640 -0.000 0.000 0.201 125 D C 2.211 178.535 176.300 0.041 0.000 0.986 125 D CA 0.887 54.891 54.000 0.007 0.000 0.847 125 D CB -0.410 40.377 40.800 -0.022 0.000 0.942 125 D HN 0.343 nan 8.370 nan 0.000 0.467 126 V N 0.705 120.628 119.914 0.015 0.000 2.307 126 V HA -0.249 3.871 4.120 -0.000 0.000 0.245 126 V C 2.728 178.873 176.094 0.084 0.000 1.045 126 V CA 1.251 63.577 62.300 0.045 0.000 1.024 126 V CB -0.529 31.285 31.823 -0.014 0.000 0.651 126 V HN 0.288 nan 8.190 nan 0.000 0.449 127 C N -0.550 118.770 119.300 0.034 0.000 2.425 127 C HA -0.189 4.271 4.460 -0.000 0.000 0.277 127 C C 2.834 177.856 174.990 0.054 0.000 1.280 127 C CA 0.930 59.967 59.018 0.032 0.000 1.744 127 C CB -1.097 26.641 27.740 -0.003 0.000 1.989 127 C HN 0.597 nan 8.230 nan 0.000 0.491 128 Q N -0.684 119.151 119.800 0.058 0.000 2.079 128 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 128 Q C 2.020 178.067 176.000 0.078 0.000 0.974 128 Q CA 1.563 57.399 55.803 0.056 0.000 0.840 128 Q CB -0.293 28.477 28.738 0.053 0.000 0.898 128 Q HN 0.753 nan 8.270 nan 0.000 0.430 129 F N 1.047 120.990 119.950 -0.012 0.000 2.084 129 F HA -0.136 4.391 4.527 -0.000 0.000 0.296 129 F C 1.671 177.484 175.800 0.021 0.000 1.111 129 F CA 1.198 59.193 58.000 -0.010 0.000 1.224 129 F CB -0.175 38.807 39.000 -0.030 0.000 0.991 129 F HN -0.045 nan 8.300 nan 0.000 0.471 130 L N 0.071 121.283 121.223 -0.018 0.000 2.450 130 L HA -0.170 4.170 4.340 -0.000 0.000 0.224 130 L C 2.238 179.152 176.870 0.072 0.000 1.149 130 L CA 1.357 56.196 54.840 -0.002 0.000 0.816 130 L CB -0.703 41.412 42.059 0.093 0.000 0.932 130 L HN 0.332 nan 8.230 nan 0.000 0.449 131 E N 0.506 120.692 120.200 -0.024 0.000 2.250 131 E HA -0.082 4.268 4.350 -0.000 0.000 0.192 131 E C 2.152 178.659 176.600 -0.156 0.000 0.986 131 E CA 0.271 56.637 56.400 -0.056 0.000 0.849 131 E CB 0.228 29.913 29.700 -0.026 0.000 0.797 131 E HN 0.515 nan 8.360 nan 0.000 0.482 132 L N 0.152 121.252 121.223 -0.206 0.000 2.492 132 L HA -0.023 4.316 4.340 -0.000 0.000 0.223 132 L C 1.932 178.640 176.870 -0.271 0.000 1.132 132 L CA 0.046 54.754 54.840 -0.221 0.000 0.850 132 L CB 0.058 41.992 42.059 -0.207 0.000 0.966 132 L HN 0.329 nan 8.230 nan 0.000 0.454 133 C N -1.202 117.909 119.300 -0.315 0.000 2.551 133 C HA 0.001 4.461 4.460 -0.000 0.000 0.277 133 C C 1.535 176.378 174.990 -0.246 0.000 1.349 133 C CA -0.460 58.414 59.018 -0.239 0.000 1.750 133 C CB -0.468 27.157 27.740 -0.191 0.000 2.058 133 C HN 0.412 nan 8.230 nan 0.000 0.518 134 Q N 2.059 121.585 119.800 -0.457 0.000 2.274 134 Q HA 0.130 4.469 4.340 -0.000 0.000 0.280 134 Q C 0.358 176.061 176.000 -0.496 0.000 1.047 134 Q CA 0.197 55.451 55.803 -0.915 0.000 0.907 134 Q CB 0.576 28.677 28.738 -1.062 0.000 1.171 134 Q HN 0.525 nan 8.270 nan 0.000 0.381 135 S N 3.770 119.202 115.700 -0.447 0.000 2.603 135 S HA 0.275 4.745 4.470 -0.000 0.000 0.268 135 S C -1.884 172.575 174.600 -0.234 0.000 1.317 135 S CA -1.378 56.658 58.200 -0.273 0.000 1.012 135 S CB 0.748 63.794 63.200 -0.257 0.000 0.926 135 S HN 0.592 nan 8.310 nan 0.000 0.539 136 P HA 0.106 nan 4.420 nan 0.000 0.237 136 P C -0.013 177.229 177.300 -0.096 0.000 1.178 136 P CA 0.666 63.700 63.100 -0.111 0.000 0.766 136 P CB 0.048 31.705 31.700 -0.072 0.000 0.876 137 E N -1.108 119.020 120.200 -0.121 0.000 2.481 137 E HA 0.382 4.732 4.350 -0.000 0.000 0.198 137 E C 0.761 177.306 176.600 -0.091 0.000 1.027 137 E CA 0.012 56.363 56.400 -0.082 0.000 0.900 137 E CB 0.231 29.888 29.700 -0.072 0.000 0.993 137 E HN 0.057 nan 8.360 nan 0.000 0.482 138 G N 0.189 108.880 108.800 -0.182 0.000 2.629 138 G HA2 0.262 4.222 3.960 -0.000 0.000 0.686 138 G HA3 0.262 4.222 3.960 -0.000 0.000 0.686 138 G C 0.234 174.914 174.900 -0.367 0.000 1.232 138 G CA -0.588 44.413 45.100 -0.164 0.000 0.803 138 G HN 0.721 nan 8.290 nan 0.000 0.638 139 G N -0.978 107.709 108.800 -0.189 0.000 2.725 139 G HA2 0.399 4.359 3.960 -0.000 0.000 0.220 139 G HA3 0.399 4.359 3.960 -0.000 0.000 0.220 139 G C -0.413 174.377 174.900 -0.182 0.000 1.357 139 G CA 0.356 45.417 45.100 -0.065 0.000 0.866 139 G HN 1.853 nan 8.290 nan 0.000 0.548 140 F N -0.406 119.461 119.950 -0.138 0.000 2.675 140 F HA 0.796 5.323 4.527 -0.000 0.000 0.324 140 F C 0.993 176.752 175.800 -0.068 0.000 1.106 140 F CA 0.055 57.986 58.000 -0.116 0.000 0.970 140 F CB 1.715 40.645 39.000 -0.117 0.000 1.385 140 F HN 0.967 nan 8.300 nan 0.000 0.489 141 G N -0.731 108.134 108.800 0.109 0.000 2.685 141 G HA2 0.464 4.424 3.960 -0.000 0.000 0.298 141 G HA3 0.464 4.424 3.960 -0.000 0.000 0.298 141 G C 0.647 175.581 174.900 0.056 0.000 1.277 141 G CA -0.318 44.824 45.100 0.070 0.000 0.986 141 G HN 0.908 nan 8.290 nan 0.000 0.487 142 G N -1.217 107.610 108.800 0.045 0.000 2.450 142 G HA2 0.381 4.341 3.960 -0.000 0.000 0.220 142 G HA3 0.381 4.341 3.960 -0.000 0.000 0.220 142 G C 0.792 175.736 174.900 0.073 0.000 1.130 142 G CA 1.389 46.523 45.100 0.057 0.000 0.760 142 G HN 1.337 nan 8.290 nan 0.000 0.557 143 G N -1.787 107.028 108.800 0.025 0.000 2.559 143 G HA2 0.506 4.465 3.960 -0.000 0.000 0.291 143 G HA3 0.506 4.465 3.960 -0.000 0.000 0.291 143 G C -3.321 171.527 174.900 -0.087 0.000 1.424 143 G CA -1.044 44.071 45.100 0.023 0.000 0.786 143 G HN -0.102 nan 8.290 nan 0.000 0.485 144 P HA 0.198 nan 4.420 nan 0.000 0.259 144 P C 1.076 178.323 177.300 -0.089 0.000 1.163 144 P CA 2.265 65.279 63.100 -0.143 0.000 0.760 144 P CB 0.625 32.276 31.700 -0.080 0.000 0.762 145 G N 1.764 110.505 108.800 -0.099 0.000 2.184 145 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.264 145 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.264 145 G C 0.143 174.977 174.900 -0.109 0.000 0.975 145 G CA -0.223 44.826 45.100 -0.085 0.000 0.642 145 G HN 0.569 nan 8.290 nan 0.000 0.536 146 Q N -0.727 119.012 119.800 -0.103 0.000 2.260 146 Q HA 0.520 4.860 4.340 -0.000 0.000 0.238 146 Q C 0.111 176.098 176.000 -0.021 0.000 0.948 146 Q CA -0.728 54.998 55.803 -0.129 0.000 0.895 146 Q CB 0.947 29.639 28.738 -0.075 0.000 1.218 146 Q HN 0.487 nan 8.270 nan 0.000 0.470 147 Y N 1.714 122.001 120.300 -0.022 0.000 2.550 147 Y HA 0.044 4.593 4.550 -0.000 0.000 0.343 147 Y C -1.583 174.311 175.900 -0.010 0.000 1.245 147 Y CA -1.860 56.229 58.100 -0.018 0.000 1.462 147 Y CB 0.142 38.612 38.460 0.017 0.000 1.340 147 Y HN 0.393 nan 8.280 nan 0.000 0.604 148 P HA -0.008 nan 4.420 nan 0.000 0.271 148 P C -1.084 176.347 177.300 0.218 0.000 1.216 148 P CA 0.519 63.590 63.100 -0.048 0.000 0.776 148 P CB 1.060 32.431 31.700 -0.547 0.000 0.881 149 H N 2.771 121.959 119.070 0.196 0.000 2.865 149 H HA 0.206 4.761 4.556 -0.000 0.000 0.362 149 H C 0.759 176.296 175.328 0.348 0.000 1.114 149 H CA -0.599 55.650 56.048 0.335 0.000 1.208 149 H CB 1.769 31.670 29.762 0.232 0.000 1.727 149 H HN 0.228 nan 8.280 nan 0.000 0.534 150 L N 2.878 124.305 121.223 0.340 0.000 2.079 150 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 150 L C 2.480 179.588 176.870 0.397 0.000 1.081 150 L CA 1.580 56.616 54.840 0.327 0.000 0.752 150 L CB -0.404 41.743 42.059 0.146 0.000 0.896 150 L HN 0.692 nan 8.230 nan 0.000 0.433 151 A N 0.734 123.956 122.820 0.670 0.000 1.845 151 A HA -0.111 4.209 4.320 -0.000 0.000 0.215 151 A C -0.091 177.651 177.584 0.263 0.000 1.195 151 A CA 1.680 54.103 52.037 0.643 0.000 0.616 151 A CB -1.856 17.637 19.000 0.821 0.000 0.832 151 A HN 0.298 nan 8.150 nan 0.000 0.443 152 P HA -0.093 nan 4.420 nan 0.000 0.219 152 P C 1.311 178.462 177.300 -0.247 0.000 1.150 152 P CA 1.622 64.600 63.100 -0.202 0.000 0.814 152 P CB -0.367 31.339 31.700 0.010 0.000 0.787 153 T N -0.645 113.910 114.554 0.002 0.000 2.746 153 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 153 T C 1.702 176.247 174.700 -0.258 0.000 1.039 153 T CA 1.313 63.396 62.100 -0.028 0.000 1.142 153 T CB -1.045 67.969 68.868 0.242 0.000 0.866 153 T HN 0.114 nan 8.240 nan 0.000 0.444 154 Y N 2.074 122.195 120.300 -0.299 0.000 2.181 154 Y HA 0.002 4.552 4.550 -0.000 0.000 0.288 154 Y C 2.445 177.967 175.900 -0.630 0.000 1.146 154 Y CA 0.890 58.765 58.100 -0.375 0.000 1.164 154 Y CB -0.777 37.537 38.460 -0.243 0.000 0.982 154 Y HN 0.161 nan 8.280 nan 0.000 0.515 155 A N 0.956 123.174 122.820 -1.003 0.000 1.883 155 A HA -0.142 4.178 4.320 -0.000 0.000 0.217 155 A C 2.458 179.544 177.584 -0.829 0.000 1.186 155 A CA 2.258 53.558 52.037 -1.229 0.000 0.624 155 A CB -1.596 16.547 19.000 -1.429 0.000 0.822 155 A HN 0.663 nan 8.150 nan 0.000 0.444 156 A N -0.664 121.693 122.820 -0.771 0.000 1.855 156 A HA -0.008 4.312 4.320 -0.000 0.000 0.215 156 A C 2.172 179.358 177.584 -0.663 0.000 1.191 156 A CA 1.754 53.330 52.037 -0.768 0.000 0.613 156 A CB -1.113 17.053 19.000 -1.390 0.000 0.829 156 A HN 0.470 nan 8.150 nan 0.000 0.442 157 V N 0.782 120.276 119.914 -0.699 0.000 2.688 157 V HA -0.244 3.876 4.120 -0.000 0.000 0.256 157 V C 2.215 178.086 176.094 -0.373 0.000 1.084 157 V CA 2.300 64.339 62.300 -0.436 0.000 1.103 157 V CB -1.071 30.544 31.823 -0.347 0.000 0.688 157 V HN 0.608 nan 8.190 nan 0.000 0.480 158 N N -0.287 118.091 118.700 -0.536 0.000 2.336 158 N HA 0.069 4.809 4.740 -0.000 0.000 0.177 158 N C 1.770 177.152 175.510 -0.213 0.000 1.018 158 N CA 1.132 53.895 53.050 -0.479 0.000 0.878 158 N CB -0.182 37.702 38.487 -1.004 0.000 0.997 158 N HN 0.401 nan 8.380 nan 0.000 0.433 159 A N 0.353 123.039 122.820 -0.224 0.000 1.929 159 A HA 0.035 4.355 4.320 -0.000 0.000 0.216 159 A C 2.090 179.620 177.584 -0.090 0.000 1.176 159 A CA 0.716 52.704 52.037 -0.083 0.000 0.628 159 A CB -0.604 18.329 19.000 -0.111 0.000 0.816 159 A HN 0.238 nan 8.150 nan 0.000 0.444 160 L N -0.741 120.404 121.223 -0.130 0.000 2.083 160 L HA -0.244 4.096 4.340 -0.000 0.000 0.209 160 L C 2.548 179.386 176.870 -0.053 0.000 1.083 160 L CA 1.244 56.037 54.840 -0.079 0.000 0.752 160 L CB -0.666 41.371 42.059 -0.037 0.000 0.899 160 L HN 0.468 nan 8.230 nan 0.000 0.433 161 C N -0.321 118.987 119.300 0.014 0.000 2.446 161 C HA -0.030 4.430 4.460 -0.000 0.000 0.279 161 C C 2.680 177.690 174.990 0.033 0.000 1.366 161 C CA 0.049 59.137 59.018 0.116 0.000 1.763 161 C CB -0.604 27.202 27.740 0.109 0.000 1.929 161 C HN 0.431 nan 8.230 nan 0.000 0.509 162 I N 0.787 121.361 120.570 0.007 0.000 2.315 162 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 162 I C 2.282 178.383 176.117 -0.026 0.000 1.117 162 I CA 1.546 62.860 61.300 0.023 0.000 1.404 162 I CB -0.382 37.650 38.000 0.053 0.000 1.071 162 I HN 0.278 nan 8.210 nan 0.000 0.419 163 I N 0.688 121.215 120.570 -0.071 0.000 2.099 163 I HA -0.266 3.904 4.170 -0.000 0.000 0.239 163 I C 2.069 178.090 176.117 -0.159 0.000 1.066 163 I CA 1.878 63.111 61.300 -0.112 0.000 1.324 163 I CB -0.732 37.184 38.000 -0.140 0.000 1.037 163 I HN 0.493 nan 8.210 nan 0.000 0.401 164 G N 0.178 108.818 108.800 -0.266 0.000 2.195 164 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.246 164 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.246 164 G C 0.595 175.145 174.900 -0.584 0.000 0.984 164 G CA 0.399 45.293 45.100 -0.342 0.000 0.633 164 G HN 0.541 nan 8.290 nan 0.000 0.525 165 T N -1.841 112.380 114.554 -0.555 0.000 2.770 165 T HA 0.603 4.953 4.350 -0.000 0.000 0.281 165 T C 1.201 175.473 174.700 -0.713 0.000 0.981 165 T CA 0.756 62.569 62.100 -0.479 0.000 0.955 165 T CB 1.834 70.537 68.868 -0.275 0.000 1.060 165 T HN 0.297 nan 8.240 nan 0.000 0.531 166 E N -0.145 119.811 120.200 -0.408 0.000 2.072 166 E HA -0.129 4.221 4.350 -0.000 0.000 0.190 166 E C 2.073 178.550 176.600 -0.206 0.000 0.982 166 E CA 1.360 57.565 56.400 -0.324 0.000 0.803 166 E CB -0.270 29.339 29.700 -0.151 0.000 0.755 166 E HN 0.834 nan 8.360 nan 0.000 0.453 167 E N 0.040 120.142 120.200 -0.164 0.000 2.070 167 E HA -0.298 4.052 4.350 -0.000 0.000 0.197 167 E C 1.833 178.379 176.600 -0.090 0.000 1.004 167 E CA 1.265 57.611 56.400 -0.091 0.000 0.805 167 E CB -0.259 29.391 29.700 -0.084 0.000 0.744 167 E HN 0.364 nan 8.360 nan 0.000 0.451 168 A N 0.735 123.435 122.820 -0.199 0.000 1.827 168 A HA -0.229 4.091 4.320 -0.000 0.000 0.215 168 A C 1.971 179.549 177.584 -0.012 0.000 1.212 168 A CA 1.884 53.820 52.037 -0.169 0.000 0.624 168 A CB -1.558 17.234 19.000 -0.348 0.000 0.853 168 A HN 0.537 nan 8.150 nan 0.000 0.450 169 Y N 0.400 120.694 120.300 -0.010 0.000 2.073 169 Y HA -0.345 4.205 4.550 -0.000 0.000 0.270 169 Y C 2.187 178.228 175.900 0.236 0.000 1.226 169 Y CA 1.034 59.219 58.100 0.143 0.000 1.117 169 Y CB -0.550 37.759 38.460 -0.252 0.000 0.939 169 Y HN 0.353 nan 8.280 nan 0.000 0.504 170 D N 0.357 120.931 120.400 0.289 0.000 2.411 170 D HA -0.128 4.512 4.640 -0.000 0.000 0.226 170 D C 1.705 178.118 176.300 0.189 0.000 0.988 170 D CA 1.022 55.164 54.000 0.237 0.000 0.938 170 D CB -0.222 40.669 40.800 0.152 0.000 0.883 170 D HN 0.519 nan 8.370 nan 0.000 0.525 171 I N 0.471 121.156 120.570 0.192 0.000 2.584 171 I HA -0.073 4.097 4.170 -0.000 0.000 0.255 171 I C 1.031 177.266 176.117 0.196 0.000 1.145 171 I CA 0.189 61.585 61.300 0.160 0.000 1.462 171 I CB 0.072 38.167 38.000 0.159 0.000 1.102 171 I HN -0.169 nan 8.210 nan 0.000 0.433 172 I N 2.951 123.687 120.570 0.277 0.000 2.581 172 I HA -0.098 4.072 4.170 -0.000 0.000 0.285 172 I C 0.855 177.082 176.117 0.183 0.000 1.129 172 I CA 0.252 61.714 61.300 0.270 0.000 1.397 172 I CB -0.197 37.960 38.000 0.261 0.000 1.399 172 I HN 0.169 nan 8.210 nan 0.000 0.537 173 N N 7.386 126.144 118.700 0.097 0.000 2.971 173 N HA 0.049 4.789 4.740 -0.000 0.000 0.294 173 N C 1.150 176.706 175.510 0.077 0.000 1.210 173 N CA 0.076 53.162 53.050 0.059 0.000 1.157 173 N CB 0.198 38.679 38.487 -0.009 0.000 1.450 173 N HN 0.502 nan 8.380 nan 0.000 0.527 174 R N 0.756 121.321 120.500 0.110 0.000 2.204 174 R HA -0.229 4.111 4.340 -0.000 0.000 0.253 174 R C 0.950 177.295 176.300 0.074 0.000 1.172 174 R CA 1.665 57.821 56.100 0.094 0.000 0.994 174 R CB 0.190 30.565 30.300 0.126 0.000 0.874 174 R HN 0.442 nan 8.270 nan 0.000 0.462 175 E N 0.345 120.585 120.200 0.067 0.000 2.008 175 E HA -0.091 4.259 4.350 -0.000 0.000 0.191 175 E C 1.817 178.458 176.600 0.069 0.000 0.986 175 E CA 0.924 57.361 56.400 0.061 0.000 0.807 175 E CB 0.020 29.747 29.700 0.046 0.000 0.766 175 E HN -0.012 nan 8.360 nan 0.000 0.450 176 K N 0.475 120.907 120.400 0.053 0.000 2.127 176 K HA -0.190 4.130 4.320 -0.000 0.000 0.208 176 K C 2.087 178.747 176.600 0.101 0.000 1.047 176 K CA 0.732 57.050 56.287 0.052 0.000 0.927 176 K CB -0.655 31.843 32.500 -0.003 0.000 0.716 176 K HN 0.103 nan 8.250 nan 0.000 0.450 177 L N 1.145 122.429 121.223 0.103 0.000 1.955 177 L HA -0.180 4.160 4.340 -0.000 0.000 0.213 177 L C 2.281 179.244 176.870 0.156 0.000 1.072 177 L CA 1.467 56.398 54.840 0.153 0.000 0.755 177 L CB -1.068 41.062 42.059 0.118 0.000 0.888 177 L HN 0.130 nan 8.230 nan 0.000 0.432 178 L N -0.274 121.009 121.223 0.101 0.000 2.081 178 L HA -0.277 4.062 4.340 -0.000 0.000 0.212 178 L C 2.479 179.439 176.870 0.149 0.000 1.080 178 L CA 1.901 56.785 54.840 0.073 0.000 0.754 178 L CB -0.820 41.289 42.059 0.083 0.000 0.893 178 L HN 0.541 nan 8.230 nan 0.000 0.433 179 Q N -2.304 117.602 119.800 0.176 0.000 2.167 179 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 179 Q C 2.059 178.180 176.000 0.202 0.000 0.970 179 Q CA 1.668 57.588 55.803 0.193 0.000 0.855 179 Q CB -0.397 28.416 28.738 0.126 0.000 0.911 179 Q HN 0.622 nan 8.270 nan 0.000 0.438 180 Y N 1.526 121.864 120.300 0.063 0.000 2.243 180 Y HA -0.091 4.459 4.550 -0.000 0.000 0.293 180 Y C 1.778 177.713 175.900 0.059 0.000 1.124 180 Y CA 0.931 59.060 58.100 0.050 0.000 1.159 180 Y CB -0.186 38.300 38.460 0.043 0.000 1.008 180 Y HN -0.031 nan 8.280 nan 0.000 0.527 181 L N -1.265 119.919 121.223 -0.064 0.000 2.042 181 L HA -0.307 4.033 4.340 -0.000 0.000 0.210 181 L C 2.209 178.988 176.870 -0.153 0.000 1.076 181 L CA 1.890 56.662 54.840 -0.114 0.000 0.749 181 L CB -1.134 40.882 42.059 -0.072 0.000 0.893 181 L HN 0.238 nan 8.230 nan 0.000 0.432 182 Y N 0.630 120.854 120.300 -0.126 0.000 2.333 182 Y HA -0.244 4.306 4.550 -0.000 0.000 0.290 182 Y C 2.972 178.741 175.900 -0.219 0.000 1.144 182 Y CA 1.184 59.173 58.100 -0.186 0.000 1.228 182 Y CB 0.003 38.389 38.460 -0.122 0.000 0.985 182 Y HN 0.330 nan 8.280 nan 0.000 0.542 183 S N -1.029 114.643 115.700 -0.047 0.000 2.527 183 S HA -0.021 4.449 4.470 -0.000 0.000 0.222 183 S C 1.434 175.918 174.600 -0.194 0.000 0.985 183 S CA 0.504 58.645 58.200 -0.098 0.000 0.921 183 S CB -0.383 62.791 63.200 -0.044 0.000 0.772 183 S HN 0.450 nan 8.310 nan 0.000 0.529 184 L N -0.128 120.926 121.223 -0.282 0.000 2.470 184 L HA 0.343 4.683 4.340 -0.000 0.000 0.219 184 L C 0.920 177.549 176.870 -0.402 0.000 1.071 184 L CA -0.197 54.469 54.840 -0.290 0.000 0.850 184 L CB -0.202 41.700 42.059 -0.262 0.000 1.040 184 L HN 0.105 nan 8.230 nan 0.000 0.475 185 K N 1.823 121.831 120.400 -0.655 0.000 2.524 185 K HA -0.013 4.307 4.320 -0.000 0.000 0.279 185 K C -0.223 176.040 176.600 -0.562 0.000 0.993 185 K CA 0.710 56.366 56.287 -1.051 0.000 1.030 185 K CB 0.372 32.277 32.500 -0.992 0.000 0.891 185 K HN -0.043 nan 8.250 nan 0.000 0.488 186 Q N 4.382 123.864 119.800 -0.530 0.000 2.240 186 Q HA 0.299 4.639 4.340 -0.000 0.000 0.260 186 Q C -1.809 174.038 176.000 -0.256 0.000 1.018 186 Q CA -2.163 53.447 55.803 -0.322 0.000 0.898 186 Q CB 0.779 29.345 28.738 -0.287 0.000 1.301 186 Q HN 0.420 nan 8.270 nan 0.000 0.469 187 P HA -0.137 nan 4.420 nan 0.000 0.221 187 P C -0.023 177.233 177.300 -0.073 0.000 1.145 187 P CA 1.261 64.299 63.100 -0.105 0.000 0.795 187 P CB 0.248 31.905 31.700 -0.071 0.000 0.775 188 D N -2.544 117.809 120.400 -0.080 0.000 2.328 188 D HA 0.179 4.819 4.640 -0.000 0.000 0.221 188 D C 1.477 177.778 176.300 0.002 0.000 1.072 188 D CA 0.463 54.468 54.000 0.007 0.000 0.850 188 D CB -0.693 40.167 40.800 0.101 0.000 0.922 188 D HN 0.191 nan 8.370 nan 0.000 0.516 189 G N 0.348 109.081 108.800 -0.112 0.000 2.217 189 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.246 189 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.246 189 G C 0.459 175.268 174.900 -0.151 0.000 0.990 189 G CA 0.281 45.346 45.100 -0.060 0.000 0.627 189 G HN 0.688 nan 8.290 nan 0.000 0.522 190 S N 0.023 115.425 115.700 -0.497 0.000 2.632 190 S HA 0.843 5.313 4.470 -0.000 0.000 0.271 190 S C -0.231 174.148 174.600 -0.368 0.000 1.260 190 S CA -0.627 57.133 58.200 -0.733 0.000 1.010 190 S CB 1.742 63.977 63.200 -1.609 0.000 0.965 190 S HN 0.391 nan 8.310 nan 0.000 0.534 191 F N -0.271 119.406 119.950 -0.455 0.000 2.613 191 F HA 0.620 5.147 4.527 -0.000 0.000 0.342 191 F C 0.218 175.845 175.800 -0.288 0.000 1.066 191 F CA -1.402 56.410 58.000 -0.313 0.000 1.002 191 F CB 0.901 39.758 39.000 -0.237 0.000 1.319 191 F HN 0.430 nan 8.300 nan 0.000 0.495 192 L N 1.423 122.617 121.223 -0.048 0.000 2.358 192 L HA 0.279 4.619 4.340 -0.000 0.000 0.268 192 L C 1.039 177.845 176.870 -0.107 0.000 1.032 192 L CA -0.877 53.886 54.840 -0.127 0.000 0.805 192 L CB 1.094 43.035 42.059 -0.197 0.000 1.253 192 L HN 0.568 nan 8.230 nan 0.000 0.452 193 M N 0.090 119.603 119.600 -0.146 0.000 2.236 193 M HA 0.001 4.481 4.480 -0.000 0.000 0.266 193 M C 0.368 176.502 176.300 -0.277 0.000 1.070 193 M CA 1.332 56.528 55.300 -0.173 0.000 1.137 193 M CB -0.838 31.714 32.600 -0.081 0.000 1.378 193 M HN 0.767 nan 8.290 nan 0.000 0.426 194 H N -4.635 114.306 119.070 -0.215 0.000 2.948 194 H HA 0.489 5.045 4.556 -0.000 0.000 0.315 194 H C -0.933 174.397 175.328 0.002 0.000 1.360 194 H CA -1.197 54.822 56.048 -0.048 0.000 1.125 194 H CB 0.518 30.272 29.762 -0.014 0.000 1.844 194 H HN -0.247 nan 8.280 nan 0.000 0.529 195 V N 1.592 121.585 119.914 0.131 0.000 2.493 195 V HA 0.305 4.424 4.120 -0.000 0.000 0.292 195 V C 1.511 177.576 176.094 -0.048 0.000 1.016 195 V CA 1.552 63.859 62.300 0.011 0.000 1.097 195 V CB -0.010 31.854 31.823 0.068 0.000 0.947 195 V HN 1.388 nan 8.190 nan 0.000 0.479 196 G N 3.551 112.259 108.800 -0.153 0.000 2.143 196 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.249 196 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.249 196 G C 0.446 175.209 174.900 -0.228 0.000 0.981 196 G CA -0.036 45.001 45.100 -0.105 0.000 0.665 196 G HN 1.307 nan 8.290 nan 0.000 0.528 197 G N -0.490 107.943 108.800 -0.612 0.000 2.531 197 G HA2 0.687 4.647 3.960 -0.000 0.000 0.313 197 G HA3 0.687 4.647 3.960 -0.000 0.000 0.313 197 G C 0.320 175.079 174.900 -0.236 0.000 1.238 197 G CA 0.241 44.965 45.100 -0.626 0.000 0.994 197 G HN 0.597 nan 8.290 nan 0.000 0.493 198 E N -1.065 119.082 120.200 -0.088 0.000 2.376 198 E HA 0.369 4.719 4.350 -0.000 0.000 0.254 198 E C -0.679 175.904 176.600 -0.029 0.000 1.213 198 E CA -0.508 55.880 56.400 -0.020 0.000 0.945 198 E CB 0.883 30.613 29.700 0.051 0.000 1.057 198 E HN 0.129 nan 8.360 nan 0.000 0.479 199 V N 1.016 120.929 119.914 -0.000 0.000 2.604 199 V HA 0.489 4.609 4.120 -0.000 0.000 0.305 199 V C -0.907 175.237 176.094 0.083 0.000 1.043 199 V CA -0.429 61.862 62.300 -0.015 0.000 0.888 199 V CB 1.289 33.067 31.823 -0.075 0.000 0.995 199 V HN 0.950 nan 8.190 nan 0.000 0.429 200 D N 1.795 122.256 120.400 0.102 0.000 2.720 200 D HA 0.098 4.738 4.640 -0.000 0.000 0.239 200 D C 0.203 176.668 176.300 0.274 0.000 1.218 200 D CA -0.574 53.569 54.000 0.238 0.000 0.748 200 D CB 1.616 42.495 40.800 0.131 0.000 1.387 200 D HN 0.213 nan 8.370 nan 0.000 0.438 201 V N 1.582 121.745 119.914 0.416 0.000 2.613 201 V HA -0.333 3.787 4.120 -0.000 0.000 0.259 201 V C 2.030 178.294 176.094 0.283 0.000 1.099 201 V CA 2.358 64.899 62.300 0.401 0.000 1.115 201 V CB -0.555 31.441 31.823 0.288 0.000 0.686 201 V HN 0.642 nan 8.190 nan 0.000 0.481 202 R N 0.377 121.056 120.500 0.299 0.000 2.081 202 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 202 R C 2.606 179.018 176.300 0.188 0.000 1.131 202 R CA 1.780 58.023 56.100 0.239 0.000 0.960 202 R CB -0.556 29.875 30.300 0.218 0.000 0.856 202 R HN 0.816 nan 8.270 nan 0.000 0.436 203 S N 0.887 116.661 115.700 0.124 0.000 2.348 203 S HA -0.147 4.322 4.470 -0.000 0.000 0.221 203 S C 2.304 176.831 174.600 -0.121 0.000 1.033 203 S CA 1.040 59.252 58.200 0.020 0.000 1.010 203 S CB -0.456 62.747 63.200 0.005 0.000 0.891 203 S HN 0.379 nan 8.310 nan 0.000 0.442 204 A N 0.811 123.565 122.820 -0.111 0.000 1.948 204 A HA -0.105 4.214 4.320 -0.000 0.000 0.220 204 A C 2.089 179.594 177.584 -0.131 0.000 1.177 204 A CA 1.792 53.701 52.037 -0.214 0.000 0.636 204 A CB -1.216 17.793 19.000 0.014 0.000 0.815 204 A HN 0.717 nan 8.150 nan 0.000 0.449 205 Y N -0.086 120.147 120.300 -0.112 0.000 2.220 205 Y HA -0.213 4.337 4.550 -0.000 0.000 0.291 205 Y C 2.521 178.348 175.900 -0.122 0.000 1.129 205 Y CA 1.280 59.312 58.100 -0.113 0.000 1.161 205 Y CB -0.780 37.649 38.460 -0.051 0.000 0.997 205 Y HN 0.372 nan 8.280 nan 0.000 0.522 206 C N 0.469 119.639 119.300 -0.216 0.000 2.432 206 C HA -0.108 4.352 4.460 -0.000 0.000 0.277 206 C C 3.080 177.971 174.990 -0.165 0.000 1.249 206 C CA 1.298 60.185 59.018 -0.219 0.000 1.725 206 C CB -1.730 26.009 27.740 -0.002 0.000 2.028 206 C HN 0.727 nan 8.230 nan 0.000 0.477 207 A N 0.469 123.163 122.820 -0.210 0.000 1.902 207 A HA 0.081 4.401 4.320 -0.000 0.000 0.217 207 A C 2.345 179.910 177.584 -0.031 0.000 1.181 207 A CA 2.077 54.001 52.037 -0.189 0.000 0.623 207 A CB -0.859 17.779 19.000 -0.603 0.000 0.818 207 A HN 0.576 nan 8.150 nan 0.000 0.443 208 A N -0.927 121.788 122.820 -0.176 0.000 1.873 208 A HA -0.083 4.237 4.320 -0.000 0.000 0.215 208 A C 2.488 179.935 177.584 -0.229 0.000 1.186 208 A CA 2.095 53.924 52.037 -0.347 0.000 0.616 208 A CB -0.976 17.709 19.000 -0.524 0.000 0.823 208 A HN 0.547 nan 8.150 nan 0.000 0.442 209 S N -0.443 115.081 115.700 -0.294 0.000 2.382 209 S HA -0.142 4.328 4.470 -0.000 0.000 0.228 209 S C 1.984 176.608 174.600 0.040 0.000 1.027 209 S CA 2.028 60.154 58.200 -0.124 0.000 0.991 209 S CB -0.656 62.404 63.200 -0.234 0.000 0.823 209 S HN 0.922 nan 8.310 nan 0.000 0.469 210 V N -0.256 119.646 119.914 -0.020 0.000 2.649 210 V HA 0.324 4.444 4.120 -0.000 0.000 0.248 210 V C 2.440 178.506 176.094 -0.046 0.000 1.054 210 V CA 1.251 63.524 62.300 -0.044 0.000 1.073 210 V CB -1.336 30.474 31.823 -0.021 0.000 0.699 210 V HN 0.442 nan 8.190 nan 0.000 0.463 211 A N 1.787 124.617 122.820 0.017 0.000 1.969 211 A HA -0.086 4.234 4.320 -0.000 0.000 0.218 211 A C 2.505 180.103 177.584 0.023 0.000 1.169 211 A CA 2.215 54.290 52.037 0.063 0.000 0.635 211 A CB -0.773 18.384 19.000 0.262 0.000 0.810 211 A HN 0.843 nan 8.150 nan 0.000 0.445 212 S N 0.008 115.714 115.700 0.010 0.000 2.362 212 S HA 0.008 4.478 4.470 -0.000 0.000 0.221 212 S C 1.887 176.457 174.600 -0.050 0.000 1.032 212 S CA 1.095 59.304 58.200 0.016 0.000 0.973 212 S CB -0.769 62.479 63.200 0.080 0.000 0.849 212 S HN 0.391 nan 8.310 nan 0.000 0.465 213 L N 2.119 123.276 121.223 -0.111 0.000 2.012 213 L HA -0.080 4.260 4.340 -0.000 0.000 0.210 213 L C 2.985 179.586 176.870 -0.448 0.000 1.073 213 L CA 1.691 56.368 54.840 -0.272 0.000 0.748 213 L CB -1.149 40.713 42.059 -0.329 0.000 0.891 213 L HN 0.594 nan 8.230 nan 0.000 0.431 214 T N -3.595 110.626 114.554 -0.554 0.000 3.194 214 T HA 0.001 4.351 4.350 -0.000 0.000 0.251 214 T C 0.796 175.294 174.700 -0.337 0.000 1.132 214 T CA 0.228 61.786 62.100 -0.903 0.000 1.028 214 T CB -0.613 67.867 68.868 -0.646 0.000 0.976 214 T HN 0.393 nan 8.240 nan 0.000 0.535 215 N N 1.173 119.789 118.700 -0.140 0.000 2.641 215 N HA -0.185 4.555 4.740 -0.000 0.000 0.267 215 N C 0.129 175.644 175.510 0.009 0.000 1.087 215 N CA 0.957 54.003 53.050 -0.007 0.000 0.731 215 N CB -1.747 36.780 38.487 0.067 0.000 0.886 215 N HN 0.935 nan 8.380 nan 0.000 0.547 216 I N -2.071 118.504 120.570 0.009 0.000 3.597 216 I HA 0.378 4.548 4.170 -0.000 0.000 0.323 216 I C -0.407 175.739 176.117 0.048 0.000 1.535 216 I CA -0.676 60.642 61.300 0.029 0.000 1.028 216 I CB 0.175 38.183 38.000 0.014 0.000 1.354 216 I HN 0.035 nan 8.210 nan 0.000 0.544 217 I N 3.606 124.223 120.570 0.078 0.000 2.347 217 I HA 0.166 4.336 4.170 -0.000 0.000 0.294 217 I C 0.832 177.004 176.117 0.091 0.000 1.090 217 I CA -0.089 61.284 61.300 0.122 0.000 1.314 217 I CB 0.969 39.089 38.000 0.200 0.000 1.423 217 I HN 0.340 nan 8.210 nan 0.000 0.503 218 T N 3.155 117.746 114.554 0.060 0.000 2.889 218 T HA 0.277 4.627 4.350 -0.000 0.000 0.291 218 T C -1.599 173.154 174.700 0.089 0.000 0.995 218 T CA -1.899 60.253 62.100 0.087 0.000 1.092 218 T CB 1.447 70.403 68.868 0.147 0.000 0.954 218 T HN 0.286 nan 8.240 nan 0.000 0.506 219 P HA -0.224 nan 4.420 nan 0.000 0.224 219 P C 0.873 178.225 177.300 0.086 0.000 1.154 219 P CA 1.663 64.813 63.100 0.083 0.000 0.868 219 P CB 0.030 31.770 31.700 0.065 0.000 0.782 220 D N -2.766 117.687 120.400 0.089 0.000 2.501 220 D HA 0.029 4.669 4.640 -0.000 0.000 0.224 220 D C 1.461 177.776 176.300 0.024 0.000 1.202 220 D CA -0.298 53.748 54.000 0.076 0.000 0.829 220 D CB -0.572 40.278 40.800 0.084 0.000 1.023 220 D HN 0.048 nan 8.370 nan 0.000 0.499 221 L N 0.037 121.216 121.223 -0.073 0.000 1.994 221 L HA 0.077 4.417 4.340 -0.000 0.000 0.208 221 L C 0.820 177.373 176.870 -0.527 0.000 1.071 221 L CA 1.663 56.239 54.840 -0.440 0.000 0.745 221 L CB -0.617 41.101 42.059 -0.569 0.000 0.892 221 L HN -0.065 nan 8.230 nan 0.000 0.431 222 F N 0.257 120.242 119.950 0.058 0.000 2.986 222 F HA 0.259 4.786 4.527 -0.000 0.000 0.297 222 F C 0.641 176.490 175.800 0.081 0.000 1.210 222 F CA -0.687 57.382 58.000 0.114 0.000 1.346 222 F CB -0.424 38.627 39.000 0.085 0.000 1.007 222 F HN -0.075 nan 8.300 nan 0.000 0.512 223 E N 1.185 121.448 120.200 0.105 0.000 2.341 223 E HA 0.108 4.458 4.350 -0.000 0.000 0.256 223 E C 1.220 177.871 176.600 0.084 0.000 1.125 223 E CA 0.614 57.062 56.400 0.080 0.000 0.939 223 E CB 0.503 30.219 29.700 0.027 0.000 0.991 223 E HN 0.713 nan 8.360 nan 0.000 0.458 224 G N 3.714 112.582 108.800 0.114 0.000 2.143 224 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.248 224 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.248 224 G C 1.076 176.089 174.900 0.189 0.000 0.991 224 G CA 0.711 45.885 45.100 0.125 0.000 0.689 224 G HN 0.529 nan 8.290 nan 0.000 0.522 225 T N 0.630 115.323 114.554 0.231 0.000 2.706 225 T HA 0.267 4.617 4.350 -0.000 0.000 0.255 225 T C 2.844 177.708 174.700 0.273 0.000 1.048 225 T CA 2.062 64.347 62.100 0.308 0.000 1.153 225 T CB -0.528 68.597 68.868 0.429 0.000 0.865 225 T HN 1.215 nan 8.240 nan 0.000 0.414 226 A N 1.697 124.631 122.820 0.190 0.000 1.940 226 A HA -0.256 4.064 4.320 -0.000 0.000 0.221 226 A C 2.119 179.775 177.584 0.120 0.000 1.190 226 A CA 2.184 54.294 52.037 0.122 0.000 0.647 226 A CB -0.713 18.334 19.000 0.078 0.000 0.821 226 A HN 0.509 nan 8.150 nan 0.000 0.457 227 E N -2.135 118.147 120.200 0.136 0.000 2.274 227 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 227 E C 1.481 178.155 176.600 0.122 0.000 0.996 227 E CA 0.926 57.388 56.400 0.103 0.000 0.840 227 E CB -0.230 29.527 29.700 0.095 0.000 0.772 227 E HN 0.875 nan 8.360 nan 0.000 0.491 228 W N 0.574 121.891 121.300 0.029 0.000 2.444 228 W HA 0.028 4.688 4.660 -0.000 0.000 0.308 228 W C 1.598 178.120 176.519 0.004 0.000 1.183 228 W CA 0.983 58.341 57.345 0.021 0.000 1.340 228 W CB -0.148 29.340 29.460 0.047 0.000 1.138 228 W HN -0.071 nan 8.180 nan 0.000 0.510 229 I N 1.190 121.936 120.570 0.292 0.000 2.300 229 I HA -0.387 3.783 4.170 -0.000 0.000 0.252 229 I C 2.485 178.536 176.117 -0.110 0.000 1.119 229 I CA 1.556 62.922 61.300 0.110 0.000 1.384 229 I CB -1.017 37.071 38.000 0.147 0.000 1.062 229 I HN 0.132 nan 8.210 nan 0.000 0.426 230 A N 0.826 123.596 122.820 -0.083 0.000 1.930 230 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 230 A C 2.325 179.795 177.584 -0.190 0.000 1.175 230 A CA 1.153 53.122 52.037 -0.113 0.000 0.627 230 A CB -0.459 18.507 19.000 -0.056 0.000 0.815 230 A HN 0.352 nan 8.150 nan 0.000 0.443 231 R N -0.964 119.371 120.500 -0.276 0.000 2.285 231 R HA -0.055 4.285 4.340 -0.000 0.000 0.213 231 R C 1.546 177.620 176.300 -0.377 0.000 1.068 231 R CA 0.997 56.908 56.100 -0.316 0.000 1.004 231 R CB -0.596 29.470 30.300 -0.391 0.000 0.873 231 R HN 0.581 nan 8.270 nan 0.000 0.467 232 C N 0.467 119.506 119.300 -0.436 0.000 2.514 232 C HA 0.020 4.480 4.460 -0.000 0.000 0.271 232 C C 1.416 176.218 174.990 -0.313 0.000 1.399 232 C CA -0.299 58.469 59.018 -0.416 0.000 1.765 232 C CB -0.683 26.789 27.740 -0.448 0.000 1.893 232 C HN 0.455 nan 8.230 nan 0.000 0.531 233 Q N 2.396 122.033 119.800 -0.270 0.000 2.327 233 Q HA 0.234 4.574 4.340 -0.000 0.000 0.254 233 Q C -0.156 175.693 176.000 -0.251 0.000 0.952 233 Q CA 0.283 55.920 55.803 -0.276 0.000 0.884 233 Q CB 0.618 29.224 28.738 -0.220 0.000 1.224 233 Q HN 0.706 nan 8.270 nan 0.000 0.422 234 N N 2.561 121.074 118.700 -0.311 0.000 3.038 234 N HA 0.151 4.891 4.740 -0.000 0.000 0.307 234 N C 0.726 176.097 175.510 -0.231 0.000 1.441 234 N CA -0.649 52.260 53.050 -0.235 0.000 0.772 234 N CB -0.500 37.820 38.487 -0.279 0.000 1.651 234 N HN 0.873 nan 8.380 nan 0.000 0.593 235 W N -0.539 120.698 121.300 -0.104 0.000 2.303 235 W HA -0.161 4.499 4.660 -0.000 0.000 0.287 235 W C 0.510 176.994 176.519 -0.058 0.000 1.213 235 W CA 1.306 58.611 57.345 -0.067 0.000 1.203 235 W CB -0.969 28.465 29.460 -0.043 0.000 1.136 235 W HN 0.632 nan 8.180 nan 0.000 0.547 236 E N 0.100 119.792 120.200 -0.847 0.000 2.152 236 E HA 0.077 4.427 4.350 -0.000 0.000 0.192 236 E C 2.170 178.521 176.600 -0.415 0.000 0.983 236 E CA 1.288 57.237 56.400 -0.751 0.000 0.818 236 E CB -0.455 28.628 29.700 -1.029 0.000 0.758 236 E HN 0.455 nan 8.360 nan 0.000 0.467 237 G N 0.068 108.585 108.800 -0.471 0.000 2.259 237 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 237 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 237 G C 0.498 175.059 174.900 -0.565 0.000 1.001 237 G CA -0.136 44.768 45.100 -0.327 0.000 0.627 237 G HN 0.534 nan 8.290 nan 0.000 0.501 238 G N -0.478 107.588 108.800 -1.222 0.000 2.606 238 G HA2 0.712 4.672 3.960 -0.000 0.000 0.262 238 G HA3 0.712 4.672 3.960 -0.000 0.000 0.262 238 G C -0.356 174.037 174.900 -0.845 0.000 1.394 238 G CA -0.606 43.597 45.100 -1.494 0.000 1.044 238 G HN 0.721 nan 8.290 nan 0.000 0.553 239 I N -0.077 120.084 120.570 -0.681 0.000 2.545 239 I HA 0.504 4.674 4.170 -0.000 0.000 0.292 239 I C 0.644 176.605 176.117 -0.260 0.000 1.040 239 I CA -0.828 60.245 61.300 -0.378 0.000 1.068 239 I CB 2.257 40.117 38.000 -0.232 0.000 1.251 239 I HN 0.619 nan 8.210 nan 0.000 0.424 240 G N 2.378 111.014 108.800 -0.272 0.000 2.557 240 G HA2 0.465 4.425 3.960 -0.000 0.000 0.302 240 G HA3 0.465 4.425 3.960 -0.000 0.000 0.302 240 G C 0.834 175.433 174.900 -0.501 0.000 1.311 240 G CA -0.064 44.874 45.100 -0.270 0.000 1.030 240 G HN 0.768 nan 8.290 nan 0.000 0.509 241 G N -1.282 106.972 108.800 -0.909 0.000 2.433 241 G HA2 0.226 4.186 3.960 -0.000 0.000 0.216 241 G HA3 0.226 4.186 3.960 -0.000 0.000 0.216 241 G C 0.692 175.324 174.900 -0.447 0.000 1.186 241 G CA 1.901 46.224 45.100 -1.296 0.000 0.779 241 G HN 1.427 nan 8.290 nan 0.000 0.543 242 V N -3.949 115.780 119.914 -0.308 0.000 3.040 242 V HA 0.681 4.800 4.120 -0.000 0.000 0.312 242 V C -2.944 172.986 176.094 -0.274 0.000 1.115 242 V CA -3.100 59.090 62.300 -0.184 0.000 0.998 242 V CB 1.868 33.686 31.823 -0.008 0.000 1.042 242 V HN -0.086 nan 8.190 nan 0.000 0.433 243 P HA 0.306 nan 4.420 nan 0.000 0.260 243 P C 0.964 178.167 177.300 -0.161 0.000 1.172 243 P CA 2.181 65.102 63.100 -0.299 0.000 0.760 243 P CB 0.474 31.983 31.700 -0.318 0.000 0.773 244 G N 2.368 111.091 108.800 -0.129 0.000 2.313 244 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.215 244 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.215 244 G C 0.249 175.130 174.900 -0.030 0.000 1.023 244 G CA -0.478 44.591 45.100 -0.052 0.000 0.626 244 G HN 0.385 nan 8.290 nan 0.000 0.503 245 M N 1.841 121.392 119.600 -0.082 0.000 2.232 245 M HA 0.342 4.822 4.480 -0.000 0.000 0.321 245 M C 0.852 177.109 176.300 -0.071 0.000 1.101 245 M CA -0.586 54.673 55.300 -0.067 0.000 1.181 245 M CB 0.491 33.017 32.600 -0.124 0.000 1.432 245 M HN 0.516 nan 8.290 nan 0.000 0.457 246 E N 1.116 121.307 120.200 -0.015 0.000 2.415 246 E HA 0.265 4.615 4.350 -0.000 0.000 0.262 246 E C -0.738 175.809 176.600 -0.088 0.000 1.038 246 E CA -0.405 55.978 56.400 -0.029 0.000 0.921 246 E CB 0.702 30.440 29.700 0.064 0.000 0.950 246 E HN 0.680 nan 8.360 nan 0.000 0.438 247 A N 5.087 127.774 122.820 -0.221 0.000 2.484 247 A HA 0.076 4.396 4.320 -0.000 0.000 0.268 247 A C -0.470 177.144 177.584 0.051 0.000 1.114 247 A CA -0.065 51.785 52.037 -0.311 0.000 0.780 247 A CB 0.114 18.637 19.000 -0.796 0.000 1.061 247 A HN 0.689 nan 8.150 nan 0.000 0.505 248 H N 1.974 121.074 119.070 0.051 0.000 2.569 248 H HA 0.449 5.005 4.556 -0.000 0.000 0.357 248 H C 1.230 176.713 175.328 0.257 0.000 1.153 248 H CA 0.255 56.422 56.048 0.199 0.000 1.193 248 H CB 1.960 31.859 29.762 0.229 0.000 1.602 248 H HN 0.589 nan 8.280 nan 0.000 0.523 249 G N 1.589 110.404 108.800 0.026 0.000 2.484 249 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.218 249 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.218 249 G C 1.382 176.409 174.900 0.211 0.000 1.130 249 G CA 0.606 45.803 45.100 0.162 0.000 0.784 249 G HN 0.654 nan 8.290 nan 0.000 0.543 250 G N -0.235 108.722 108.800 0.262 0.000 2.426 250 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.214 250 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.214 250 G C 1.482 176.201 174.900 -0.301 0.000 1.156 250 G CA 0.325 45.228 45.100 -0.329 0.000 0.802 250 G HN 0.469 nan 8.290 nan 0.000 0.534 251 Y N 1.166 121.445 120.300 -0.036 0.000 2.263 251 Y HA -0.060 4.490 4.550 -0.000 0.000 0.292 251 Y C 3.297 179.177 175.900 -0.033 0.000 1.130 251 Y CA 1.318 59.384 58.100 -0.056 0.000 1.179 251 Y CB -0.150 38.280 38.460 -0.050 0.000 0.998 251 Y HN 0.104 nan 8.280 nan 0.000 0.532 252 T N 0.534 115.179 114.554 0.151 0.000 2.746 252 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 252 T C 1.579 176.308 174.700 0.047 0.000 1.039 252 T CA 1.604 63.730 62.100 0.044 0.000 1.142 252 T CB -0.692 68.209 68.868 0.054 0.000 0.866 252 T HN 0.368 nan 8.240 nan 0.000 0.444 253 F N 1.084 121.023 119.950 -0.018 0.000 2.102 253 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 253 F C 2.560 178.263 175.800 -0.163 0.000 1.105 253 F CA 0.686 58.653 58.000 -0.055 0.000 1.239 253 F CB -0.749 38.297 39.000 0.078 0.000 0.991 253 F HN 0.131 nan 8.300 nan 0.000 0.474 254 C N 0.825 120.123 119.300 -0.004 0.000 2.401 254 C HA -0.159 4.301 4.460 -0.000 0.000 0.276 254 C C 3.043 177.963 174.990 -0.118 0.000 1.233 254 C CA 1.594 60.498 59.018 -0.189 0.000 1.753 254 C CB -1.857 25.885 27.740 0.003 0.000 2.029 254 C HN 0.758 nan 8.230 nan 0.000 0.478 255 G N -0.699 108.070 108.800 -0.052 0.000 2.395 255 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.214 255 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.214 255 G C 1.451 176.295 174.900 -0.093 0.000 1.177 255 G CA 0.684 45.768 45.100 -0.027 0.000 0.794 255 G HN 0.441 nan 8.290 nan 0.000 0.532 256 L N 1.555 122.683 121.223 -0.158 0.000 2.083 256 L HA 0.167 4.507 4.340 -0.000 0.000 0.209 256 L C 2.942 179.682 176.870 -0.217 0.000 1.083 256 L CA 2.115 56.854 54.840 -0.169 0.000 0.752 256 L CB -0.685 41.272 42.059 -0.170 0.000 0.899 256 L HN 0.226 nan 8.230 nan 0.000 0.433 257 A N -0.685 121.909 122.820 -0.377 0.000 1.930 257 A HA 0.002 4.322 4.320 -0.000 0.000 0.217 257 A C 2.437 179.954 177.584 -0.111 0.000 1.175 257 A CA 1.496 53.325 52.037 -0.347 0.000 0.627 257 A CB -1.015 17.568 19.000 -0.695 0.000 0.815 257 A HN 0.550 nan 8.150 nan 0.000 0.443 258 A N -0.131 122.674 122.820 -0.026 0.000 1.898 258 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 258 A C 2.126 179.648 177.584 -0.104 0.000 1.181 258 A CA 1.401 53.425 52.037 -0.022 0.000 0.620 258 A CB -0.562 18.455 19.000 0.028 0.000 0.819 258 A HN 0.461 nan 8.150 nan 0.000 0.442 259 L N -0.518 120.658 121.223 -0.079 0.000 2.141 259 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 259 L C 2.470 179.299 176.870 -0.067 0.000 1.094 259 L CA 0.841 55.641 54.840 -0.066 0.000 0.763 259 L CB -0.524 41.507 42.059 -0.047 0.000 0.908 259 L HN 0.244 nan 8.230 nan 0.000 0.437 260 V N 0.269 120.138 119.914 -0.075 0.000 2.407 260 V HA -0.285 3.835 4.120 -0.000 0.000 0.248 260 V C 2.307 178.376 176.094 -0.042 0.000 1.055 260 V CA 1.663 63.935 62.300 -0.048 0.000 1.049 260 V CB -0.210 31.583 31.823 -0.051 0.000 0.662 260 V HN 0.320 nan 8.190 nan 0.000 0.455 261 I N -0.532 119.985 120.570 -0.089 0.000 2.163 261 I HA -0.213 3.956 4.170 -0.000 0.000 0.240 261 I C 2.086 178.131 176.117 -0.119 0.000 1.081 261 I CA 1.598 62.835 61.300 -0.106 0.000 1.353 261 I CB -0.271 37.610 38.000 -0.198 0.000 1.054 261 I HN 0.233 nan 8.210 nan 0.000 0.407 262 L N 0.434 121.556 121.223 -0.167 0.000 2.552 262 L HA -0.040 4.300 4.340 -0.000 0.000 0.227 262 L C 0.646 177.487 176.870 -0.049 0.000 1.146 262 L CA 0.464 55.220 54.840 -0.139 0.000 0.858 262 L CB -0.404 41.555 42.059 -0.166 0.000 0.969 262 L HN 0.286 nan 8.230 nan 0.000 0.451 263 K N 0.267 120.646 120.400 -0.035 0.000 3.129 263 K HA -0.170 4.150 4.320 -0.000 0.000 0.273 263 K C 0.231 176.832 176.600 0.002 0.000 1.123 263 K CA 0.270 56.555 56.287 -0.004 0.000 0.800 263 K CB -0.733 31.774 32.500 0.012 0.000 1.238 263 K HN 0.252 nan 8.250 nan 0.000 0.492 264 R N -0.035 120.461 120.500 -0.008 0.000 2.586 264 R HA 0.060 4.400 4.340 -0.000 0.000 0.336 264 R C 0.630 176.928 176.300 -0.004 0.000 1.060 264 R CA 0.050 56.151 56.100 0.002 0.000 1.079 264 R CB 0.315 30.621 30.300 0.010 0.000 1.317 264 R HN 0.313 nan 8.270 nan 0.000 0.568 265 E N 0.897 121.093 120.200 -0.008 0.000 2.187 265 E HA -0.171 4.179 4.350 -0.000 0.000 0.199 265 E C 1.595 178.192 176.600 -0.005 0.000 1.004 265 E CA 1.127 57.521 56.400 -0.011 0.000 0.813 265 E CB -0.077 29.620 29.700 -0.004 0.000 0.736 265 E HN 0.161 nan 8.360 nan 0.000 0.468 266 R N 0.310 120.812 120.500 0.003 0.000 2.193 266 R HA -0.001 4.339 4.340 -0.000 0.000 0.229 266 R C 1.859 178.159 176.300 -0.000 0.000 1.110 266 R CA 0.959 57.062 56.100 0.005 0.000 0.988 266 R CB -0.218 30.088 30.300 0.010 0.000 0.871 266 R HN 0.093 nan 8.270 nan 0.000 0.458 267 S N 0.619 116.318 115.700 -0.002 0.000 2.595 267 S HA 0.036 4.506 4.470 -0.000 0.000 0.235 267 S C 0.725 175.313 174.600 -0.020 0.000 0.974 267 S CA 0.600 58.797 58.200 -0.005 0.000 0.942 267 S CB -0.021 63.181 63.200 0.002 0.000 0.766 267 S HN 0.143 nan 8.310 nan 0.000 0.536 268 L N 1.371 122.580 121.223 -0.024 0.000 2.333 268 L HA 0.434 4.774 4.340 -0.000 0.000 0.269 268 L C 0.182 177.035 176.870 -0.028 0.000 1.010 268 L CA -0.918 53.898 54.840 -0.040 0.000 0.818 268 L CB 0.837 42.864 42.059 -0.054 0.000 1.306 268 L HN -0.093 nan 8.230 nan 0.000 0.430 269 N N 2.307 120.986 118.700 -0.035 0.000 2.406 269 N HA 0.102 4.842 4.740 -0.000 0.000 0.269 269 N C 0.642 176.144 175.510 -0.013 0.000 1.210 269 N CA 0.162 53.200 53.050 -0.020 0.000 0.966 269 N CB 0.594 39.067 38.487 -0.023 0.000 1.293 269 N HN 0.597 nan 8.380 nan 0.000 0.491 270 L N 2.579 123.802 121.223 0.001 0.000 2.201 270 L HA -0.091 4.249 4.340 -0.000 0.000 0.212 270 L C 2.357 179.249 176.870 0.037 0.000 1.105 270 L CA 0.786 55.635 54.840 0.016 0.000 0.775 270 L CB -0.231 41.841 42.059 0.022 0.000 0.913 270 L HN 0.513 nan 8.230 nan 0.000 0.440 271 K N 0.802 121.223 120.400 0.035 0.000 2.057 271 K HA -0.171 4.149 4.320 -0.000 0.000 0.206 271 K C 2.366 179.003 176.600 0.061 0.000 1.050 271 K CA 1.772 58.089 56.287 0.050 0.000 0.935 271 K CB 0.020 32.545 32.500 0.041 0.000 0.715 271 K HN 0.344 nan 8.250 nan 0.000 0.439 272 S N 1.041 116.767 115.700 0.044 0.000 2.406 272 S HA -0.136 4.334 4.470 -0.000 0.000 0.228 272 S C 2.000 176.647 174.600 0.078 0.000 1.020 272 S CA 0.786 59.017 58.200 0.052 0.000 0.965 272 S CB -0.408 62.800 63.200 0.013 0.000 0.798 272 S HN 0.326 nan 8.310 nan 0.000 0.488 273 L N 1.287 122.537 121.223 0.046 0.000 2.046 273 L HA 0.158 4.498 4.340 -0.000 0.000 0.208 273 L C 2.224 179.208 176.870 0.190 0.000 1.077 273 L CA 1.572 56.456 54.840 0.074 0.000 0.747 273 L CB -1.160 40.907 42.059 0.014 0.000 0.896 273 L HN 0.421 nan 8.230 nan 0.000 0.432 274 L N -0.366 120.941 121.223 0.140 0.000 2.056 274 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 274 L C 2.599 179.564 176.870 0.159 0.000 1.078 274 L CA 2.164 57.094 54.840 0.151 0.000 0.749 274 L CB -0.751 41.382 42.059 0.123 0.000 0.901 274 L HN 0.601 nan 8.230 nan 0.000 0.433 275 Q N -1.762 118.127 119.800 0.149 0.000 2.167 275 Q HA -0.265 4.075 4.340 -0.000 0.000 0.202 275 Q C 2.048 178.135 176.000 0.145 0.000 0.970 275 Q CA 2.094 57.974 55.803 0.129 0.000 0.855 275 Q CB -0.485 28.321 28.738 0.113 0.000 0.911 275 Q HN 0.651 nan 8.270 nan 0.000 0.438 276 W N -0.353 120.943 121.300 -0.007 0.000 2.413 276 W HA -0.159 4.501 4.660 -0.000 0.000 0.315 276 W C 2.047 178.558 176.519 -0.013 0.000 1.186 276 W CA 1.512 58.837 57.345 -0.035 0.000 1.326 276 W CB -0.737 28.677 29.460 -0.076 0.000 1.153 276 W HN 0.024 nan 8.180 nan 0.000 0.489 277 V N 1.424 121.444 119.914 0.177 0.000 2.332 277 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 277 V C 2.467 178.535 176.094 -0.043 0.000 1.055 277 V CA 3.363 65.629 62.300 -0.057 0.000 1.038 277 V CB -1.197 30.729 31.823 0.172 0.000 0.651 277 V HN 0.506 nan 8.190 nan 0.000 0.450 278 T N -3.306 111.278 114.554 0.049 0.000 2.881 278 T HA -0.147 4.203 4.350 -0.000 0.000 0.270 278 T C 1.910 176.570 174.700 -0.066 0.000 1.068 278 T CA 1.723 63.870 62.100 0.077 0.000 1.131 278 T CB -0.520 68.418 68.868 0.118 0.000 0.871 278 T HN 0.453 nan 8.240 nan 0.000 0.479 279 S N 1.008 116.617 115.700 -0.151 0.000 2.453 279 S HA 0.048 4.518 4.470 -0.000 0.000 0.231 279 S C 2.126 176.530 174.600 -0.327 0.000 1.005 279 S CA 0.237 58.312 58.200 -0.210 0.000 0.949 279 S CB -0.222 62.856 63.200 -0.203 0.000 0.774 279 S HN 0.405 nan 8.310 nan 0.000 0.510 280 R N 1.480 121.719 120.500 -0.435 0.000 2.237 280 R HA 0.055 4.395 4.340 -0.000 0.000 0.219 280 R C 1.124 177.104 176.300 -0.533 0.000 1.080 280 R CA 0.256 56.081 56.100 -0.458 0.000 0.995 280 R CB -0.571 29.430 30.300 -0.498 0.000 0.875 280 R HN 0.567 nan 8.270 nan 0.000 0.462 281 Q N 1.119 120.408 119.800 -0.852 0.000 2.304 281 Q HA 0.092 4.432 4.340 -0.000 0.000 0.260 281 Q C -0.539 175.105 176.000 -0.594 0.000 0.965 281 Q CA -0.221 54.792 55.803 -1.318 0.000 0.898 281 Q CB 0.711 28.623 28.738 -1.377 0.000 1.196 281 Q HN -0.159 nan 8.270 nan 0.000 0.402 282 M N 4.200 123.519 119.600 -0.467 0.000 2.185 282 M HA 0.128 4.608 4.480 -0.000 0.000 0.357 282 M C 1.054 177.285 176.300 -0.116 0.000 1.260 282 M CA 0.266 55.433 55.300 -0.222 0.000 1.124 282 M CB 0.543 33.049 32.600 -0.156 0.000 1.600 282 M HN 0.774 nan 8.290 nan 0.000 0.467 283 R N 1.231 121.717 120.500 -0.024 0.000 2.096 283 R HA -0.140 4.200 4.340 -0.000 0.000 0.235 283 R C 1.362 177.783 176.300 0.202 0.000 1.127 283 R CA 1.484 57.628 56.100 0.073 0.000 0.968 283 R CB -0.406 29.936 30.300 0.070 0.000 0.861 283 R HN 0.530 nan 8.270 nan 0.000 0.440 284 F N 1.961 121.941 119.950 0.050 0.000 2.135 284 F HA 0.120 4.647 4.527 0.000 0.000 0.280 284 F C 1.934 177.942 175.800 0.348 0.000 1.109 284 F CA 1.197 59.273 58.000 0.127 0.000 1.163 284 F CB -0.227 38.783 39.000 0.018 0.000 1.062 284 F HN -0.118 nan 8.300 nan 0.000 0.496 285 E N 0.253 120.565 120.200 0.187 0.000 2.114 285 E HA -0.064 4.286 4.350 -0.000 0.000 0.199 285 E C 1.859 178.570 176.600 0.185 0.000 1.008 285 E CA 1.963 58.439 56.400 0.126 0.000 0.810 285 E CB -0.755 28.951 29.700 0.010 0.000 0.739 285 E HN 0.720 nan 8.360 nan 0.000 0.456 286 G N -0.762 108.043 108.800 0.008 0.000 2.313 286 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.215 286 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.215 286 G C 0.608 175.401 174.900 -0.178 0.000 1.023 286 G CA -0.054 45.024 45.100 -0.037 0.000 0.626 286 G HN 0.669 nan 8.290 nan 0.000 0.503 287 G N -0.413 108.116 108.800 -0.452 0.000 2.543 287 G HA2 0.594 4.554 3.960 -0.000 0.000 0.290 287 G HA3 0.594 4.554 3.960 -0.000 0.000 0.290 287 G C -0.490 174.206 174.900 -0.340 0.000 1.310 287 G CA -0.628 44.183 45.100 -0.481 0.000 1.025 287 G HN 0.287 nan 8.290 nan 0.000 0.502 288 F N -0.565 119.247 119.950 -0.230 0.000 2.470 288 F HA 0.415 4.942 4.527 -0.000 0.000 0.329 288 F C 0.825 176.569 175.800 -0.094 0.000 1.072 288 F CA -0.621 57.276 58.000 -0.172 0.000 0.989 288 F CB 2.012 40.916 39.000 -0.159 0.000 1.193 288 F HN 0.513 nan 8.300 nan 0.000 0.481 289 Q N 0.316 120.085 119.800 -0.051 0.000 2.195 289 Q HA 0.625 4.965 4.340 -0.000 0.000 0.250 289 Q C 0.505 176.145 176.000 -0.601 0.000 0.988 289 Q CA -0.655 55.060 55.803 -0.147 0.000 0.911 289 Q CB 1.506 30.139 28.738 -0.176 0.000 1.258 289 Q HN 0.794 nan 8.270 nan 0.000 0.475 290 G N 0.530 108.766 108.800 -0.939 0.000 2.539 290 G HA2 0.050 4.010 3.960 -0.000 0.000 0.215 290 G HA3 0.050 4.010 3.960 -0.000 0.000 0.215 290 G C 0.083 174.406 174.900 -0.961 0.000 1.141 290 G CA -0.039 44.135 45.100 -1.544 0.000 0.806 290 G HN 0.617 nan 8.290 nan 0.000 0.533 291 R N -1.704 118.482 120.500 -0.522 0.000 2.643 291 R HA 0.428 4.768 4.340 -0.000 0.000 0.269 291 R C -1.050 175.154 176.300 -0.160 0.000 1.037 291 R CA -0.936 55.020 56.100 -0.239 0.000 0.894 291 R CB 0.146 30.375 30.300 -0.118 0.000 1.238 291 R HN -0.030 nan 8.270 nan 0.000 0.459 292 C N 2.914 122.156 119.300 -0.096 0.000 2.431 292 C HA -0.019 4.441 4.460 -0.000 0.000 0.397 292 C C 0.635 175.604 174.990 -0.036 0.000 1.436 292 C CA 1.179 60.147 59.018 -0.084 0.000 1.596 292 C CB -1.342 26.392 27.740 -0.011 0.000 2.550 292 C HN 0.987 nan 8.230 nan 0.000 0.596 293 N N 2.847 121.520 118.700 -0.046 0.000 2.758 293 N HA -0.131 4.609 4.740 -0.000 0.000 0.248 293 N C -0.420 175.084 175.510 -0.010 0.000 1.076 293 N CA 1.336 54.376 53.050 -0.018 0.000 0.696 293 N CB -0.548 37.947 38.487 0.013 0.000 0.979 293 N HN 0.817 nan 8.380 nan 0.000 0.550 294 K N -0.647 119.736 120.400 -0.028 0.000 2.137 294 K HA 0.543 4.863 4.320 -0.000 0.000 0.251 294 K C 0.174 176.775 176.600 0.002 0.000 1.048 294 K CA -0.804 55.482 56.287 -0.001 0.000 0.873 294 K CB 1.042 33.546 32.500 0.007 0.000 1.442 294 K HN -0.065 nan 8.250 nan 0.000 0.467 295 L N 1.327 122.575 121.223 0.042 0.000 2.343 295 L HA 0.342 4.681 4.340 -0.000 0.000 0.275 295 L C 0.342 177.264 176.870 0.087 0.000 1.056 295 L CA -0.916 53.956 54.840 0.054 0.000 0.804 295 L CB 1.511 43.610 42.059 0.067 0.000 1.203 295 L HN 0.249 nan 8.230 nan 0.000 0.440 296 V N 2.050 121.992 119.914 0.047 0.000 2.740 296 V HA 0.103 4.223 4.120 -0.000 0.000 0.303 296 V C -0.458 175.710 176.094 0.122 0.000 1.054 296 V CA 0.493 62.809 62.300 0.027 0.000 1.106 296 V CB 1.269 33.010 31.823 -0.137 0.000 0.957 296 V HN 0.826 nan 8.190 nan 0.000 0.486 297 D N 3.251 123.767 120.400 0.194 0.000 2.859 297 D HA 0.421 5.061 4.640 -0.000 0.000 0.223 297 D C 0.680 177.082 176.300 0.169 0.000 1.218 297 D CA 0.185 54.279 54.000 0.156 0.000 0.850 297 D CB 2.216 43.023 40.800 0.011 0.000 1.656 297 D HN 0.567 nan 8.370 nan 0.000 0.484 298 G N 1.116 110.043 108.800 0.212 0.000 2.443 298 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.219 298 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.219 298 G C 1.699 176.686 174.900 0.145 0.000 1.131 298 G CA 1.160 46.413 45.100 0.255 0.000 0.775 298 G HN 0.696 nan 8.290 nan 0.000 0.547 299 C N -1.349 118.012 119.300 0.102 0.000 2.448 299 C HA 0.160 4.620 4.460 -0.000 0.000 0.280 299 C C 2.284 177.252 174.990 -0.037 0.000 1.398 299 C CA 0.040 59.008 59.018 -0.082 0.000 1.774 299 C CB -1.604 25.961 27.740 -0.291 0.000 1.888 299 C HN 0.457 nan 8.230 nan 0.000 0.519 300 Y N 1.952 122.355 120.300 0.173 0.000 2.632 300 Y HA -0.042 4.508 4.550 -0.000 0.000 0.301 300 Y C 2.673 178.505 175.900 -0.113 0.000 1.172 300 Y CA 0.531 58.693 58.100 0.103 0.000 1.328 300 Y CB -0.254 38.270 38.460 0.107 0.000 1.016 300 Y HN 0.338 nan 8.280 nan 0.000 0.529 301 S N -0.100 115.632 115.700 0.054 0.000 2.469 301 S HA -0.159 4.311 4.470 -0.000 0.000 0.238 301 S C 1.349 175.845 174.600 -0.174 0.000 0.998 301 S CA 1.118 59.281 58.200 -0.062 0.000 0.957 301 S CB -0.253 62.989 63.200 0.071 0.000 0.764 301 S HN 0.552 nan 8.310 nan 0.000 0.514 302 F N 0.009 119.785 119.950 -0.290 0.000 2.485 302 F HA 0.240 4.767 4.527 -0.000 0.000 0.274 302 F C 1.435 176.994 175.800 -0.402 0.000 0.963 302 F CA -0.250 57.519 58.000 -0.384 0.000 1.169 302 F CB -0.807 37.920 39.000 -0.456 0.000 1.145 302 F HN 0.115 nan 8.300 nan 0.000 0.682 303 W N 1.332 122.397 121.300 -0.393 0.000 2.292 303 W HA -0.281 4.379 4.660 -0.000 0.000 0.304 303 W C 2.286 178.607 176.519 -0.331 0.000 1.228 303 W CA 1.326 58.398 57.345 -0.456 0.000 1.241 303 W CB -0.332 29.071 29.460 -0.096 0.000 1.142 303 W HN 0.193 nan 8.180 nan 0.000 0.520 304 Q N -0.980 118.702 119.800 -0.198 0.000 2.263 304 Q HA 0.095 4.435 4.340 -0.000 0.000 0.196 304 Q C 2.445 178.014 176.000 -0.719 0.000 0.965 304 Q CA 1.201 56.759 55.803 -0.408 0.000 0.851 304 Q CB -1.131 27.269 28.738 -0.563 0.000 0.948 304 Q HN 0.254 nan 8.270 nan 0.000 0.516 305 A N 1.105 123.226 122.820 -1.166 0.000 2.019 305 A HA -0.054 4.266 4.320 -0.000 0.000 0.219 305 A C 2.143 179.314 177.584 -0.689 0.000 1.164 305 A CA 1.642 52.944 52.037 -1.224 0.000 0.644 305 A CB -0.873 17.258 19.000 -1.448 0.000 0.805 305 A HN 0.429 nan 8.150 nan 0.000 0.449 306 G N -0.563 107.852 108.800 -0.641 0.000 2.534 306 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.217 306 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.217 306 G C 1.408 176.131 174.900 -0.296 0.000 1.128 306 G CA 0.714 45.484 45.100 -0.550 0.000 0.784 306 G HN 0.450 nan 8.290 nan 0.000 0.542 307 L N -0.432 120.658 121.223 -0.221 0.000 2.141 307 L HA -0.001 4.339 4.340 -0.000 0.000 0.209 307 L C 2.700 179.501 176.870 -0.114 0.000 1.094 307 L CA 0.258 55.028 54.840 -0.117 0.000 0.763 307 L CB -0.249 41.790 42.059 -0.034 0.000 0.908 307 L HN 0.169 nan 8.230 nan 0.000 0.437 308 L N -0.249 120.893 121.223 -0.135 0.000 1.989 308 L HA -0.158 4.182 4.340 -0.000 0.000 0.211 308 L C -0.278 176.512 176.870 -0.133 0.000 1.071 308 L CA 2.049 56.880 54.840 -0.015 0.000 0.749 308 L CB -1.957 40.208 42.059 0.176 0.000 0.890 308 L HN 0.121 nan 8.230 nan 0.000 0.431 309 P HA -0.175 nan 4.420 nan 0.000 0.216 309 P C 1.995 179.185 177.300 -0.183 0.000 1.150 309 P CA 1.335 63.962 63.100 -0.790 0.000 0.837 309 P CB 0.036 31.123 31.700 -1.020 0.000 0.786 310 L N -1.754 119.381 121.223 -0.146 0.000 2.005 310 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 310 L C 2.464 179.346 176.870 0.021 0.000 1.072 310 L CA 1.407 56.208 54.840 -0.065 0.000 0.744 310 L CB -1.029 40.955 42.059 -0.126 0.000 0.895 310 L HN -0.031 nan 8.230 nan 0.000 0.433 311 L N -0.954 120.295 121.223 0.043 0.000 1.970 311 L HA -0.305 4.035 4.340 -0.000 0.000 0.212 311 L C 2.634 179.601 176.870 0.161 0.000 1.071 311 L CA 1.649 56.542 54.840 0.089 0.000 0.751 311 L CB -0.853 41.268 42.059 0.104 0.000 0.889 311 L HN 0.309 nan 8.230 nan 0.000 0.432 312 H N -0.186 118.974 119.070 0.151 0.000 2.368 312 H HA -0.263 4.293 4.556 -0.000 0.000 0.292 312 H C 2.516 177.967 175.328 0.205 0.000 1.117 312 H CA 2.093 58.290 56.048 0.249 0.000 1.231 312 H CB 0.063 30.094 29.762 0.448 0.000 1.359 312 H HN 0.077 nan 8.280 nan 0.000 0.490 313 R N 0.300 120.976 120.500 0.293 0.000 2.062 313 R HA -0.098 4.242 4.340 -0.000 0.000 0.231 313 R C 2.443 178.841 176.300 0.163 0.000 1.136 313 R CA 1.313 57.533 56.100 0.199 0.000 0.948 313 R CB -0.725 29.643 30.300 0.114 0.000 0.845 313 R HN 0.439 nan 8.270 nan 0.000 0.430 314 A N 1.450 124.337 122.820 0.111 0.000 1.940 314 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 314 A C 2.349 179.980 177.584 0.078 0.000 1.176 314 A CA 1.208 53.294 52.037 0.081 0.000 0.631 314 A CB -0.536 18.493 19.000 0.049 0.000 0.814 314 A HN 0.358 nan 8.150 nan 0.000 0.446 315 L N -1.395 119.874 121.223 0.076 0.000 2.291 315 L HA -0.123 4.217 4.340 -0.000 0.000 0.214 315 L C 2.557 179.454 176.870 0.045 0.000 1.120 315 L CA 1.236 56.102 54.840 0.043 0.000 0.799 315 L CB -0.672 41.401 42.059 0.022 0.000 0.925 315 L HN 0.624 nan 8.230 nan 0.000 0.446 316 H N 0.538 119.600 119.070 -0.013 0.000 2.415 316 H HA 0.040 4.595 4.556 -0.000 0.000 0.297 316 H C 2.010 177.352 175.328 0.024 0.000 1.048 316 H CA 1.124 57.172 56.048 0.000 0.000 1.365 316 H CB 0.543 30.331 29.762 0.043 0.000 1.421 316 H HN 0.242 nan 8.280 nan 0.000 0.533 317 A N 0.560 123.474 122.820 0.157 0.000 2.172 317 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 317 A C 2.101 179.700 177.584 0.025 0.000 1.154 317 A CA 0.855 52.951 52.037 0.099 0.000 0.701 317 A CB -0.234 18.829 19.000 0.104 0.000 0.789 317 A HN 0.536 nan 8.150 nan 0.000 0.465 318 Q N -2.151 117.651 119.800 0.004 0.000 2.384 318 Q HA 0.252 4.592 4.340 -0.000 0.000 0.207 318 Q C 1.081 177.054 176.000 -0.044 0.000 0.904 318 Q CA 0.407 56.203 55.803 -0.011 0.000 0.933 318 Q CB 0.428 29.166 28.738 0.001 0.000 1.077 318 Q HN 0.836 nan 8.270 nan 0.000 0.522 319 G N 1.606 110.346 108.800 -0.100 0.000 2.159 319 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.227 319 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.227 319 G C -0.221 174.612 174.900 -0.112 0.000 0.986 319 G CA -0.011 45.006 45.100 -0.137 0.000 0.651 319 G HN 0.331 nan 8.290 nan 0.000 0.523 320 D N 1.345 121.695 120.400 -0.084 0.000 2.554 320 D HA 0.131 4.771 4.640 -0.000 0.000 0.251 320 D C 0.053 176.323 176.300 -0.050 0.000 1.213 320 D CA -0.081 53.889 54.000 -0.049 0.000 0.900 320 D CB 1.168 41.950 40.800 -0.031 0.000 1.135 320 D HN 0.298 nan 8.370 nan 0.000 0.522 321 P HA 0.045 nan 4.420 nan 0.000 0.240 321 P C 0.536 177.838 177.300 0.003 0.000 1.190 321 P CA 0.146 63.236 63.100 -0.016 0.000 0.781 321 P CB 0.452 32.143 31.700 -0.015 0.000 0.931 322 A N -0.138 122.685 122.820 0.006 0.000 2.275 322 A HA 0.211 4.531 4.320 -0.000 0.000 0.212 322 A C 1.107 178.710 177.584 0.032 0.000 1.201 322 A CA -0.237 51.810 52.037 0.018 0.000 0.843 322 A CB -0.783 18.229 19.000 0.020 0.000 0.873 322 A HN 0.132 nan 8.150 nan 0.000 0.492 323 L N 1.109 122.350 121.223 0.030 0.000 2.453 323 L HA 0.092 4.432 4.340 -0.000 0.000 0.272 323 L C 1.146 178.087 176.870 0.118 0.000 1.182 323 L CA -0.252 54.621 54.840 0.054 0.000 0.858 323 L CB 0.796 42.817 42.059 -0.064 0.000 1.120 323 L HN 0.303 nan 8.230 nan 0.000 0.474 324 S N 2.735 118.525 115.700 0.150 0.000 2.573 324 S HA 0.071 4.541 4.470 -0.000 0.000 0.277 324 S C 0.903 175.511 174.600 0.012 0.000 1.346 324 S CA -0.370 57.848 58.200 0.031 0.000 1.034 324 S CB 0.615 63.797 63.200 -0.030 0.000 0.879 324 S HN 0.601 nan 8.310 nan 0.000 0.528 325 M N 2.897 122.393 119.600 -0.174 0.000 2.337 325 M HA 0.140 4.620 4.480 -0.000 0.000 0.256 325 M C 1.505 177.453 176.300 -0.586 0.000 1.075 325 M CA 0.477 55.679 55.300 -0.163 0.000 1.024 325 M CB -0.382 32.186 32.600 -0.053 0.000 1.429 325 M HN 0.858 nan 8.290 nan 0.000 0.497 326 S N -2.131 112.979 115.700 -0.983 0.000 2.589 326 S HA 0.220 4.690 4.470 -0.000 0.000 0.235 326 S C 0.438 174.204 174.600 -1.389 0.000 1.051 326 S CA -0.409 57.131 58.200 -1.101 0.000 0.978 326 S CB 0.457 63.213 63.200 -0.741 0.000 0.929 326 S HN 0.491 nan 8.310 nan 0.000 0.523 327 H N -1.323 116.988 119.070 -1.265 0.000 2.834 327 H HA 0.490 5.046 4.556 -0.000 0.000 0.369 327 H C -1.401 173.655 175.328 -0.454 0.000 1.174 327 H CA -1.183 54.391 56.048 -0.790 0.000 1.165 327 H CB 1.188 30.722 29.762 -0.379 0.000 1.820 327 H HN 0.282 nan 8.280 nan 0.000 0.558 328 W N 1.615 122.941 121.300 0.042 0.000 2.316 328 W HA 0.214 4.874 4.660 -0.000 0.000 0.321 328 W C 0.718 177.248 176.519 0.017 0.000 1.203 328 W CA -0.703 56.692 57.345 0.084 0.000 1.214 328 W CB 0.831 30.236 29.460 -0.092 0.000 1.169 328 W HN 0.390 nan 8.180 nan 0.000 0.561 329 M N 4.382 124.294 119.600 0.520 0.000 2.979 329 M HA 0.010 4.490 4.480 -0.000 0.000 0.192 329 M C -0.980 175.549 176.300 0.381 0.000 1.179 329 M CA 0.776 56.295 55.300 0.364 0.000 1.165 329 M CB -1.006 31.808 32.600 0.356 0.000 1.756 329 M HN 0.326 nan 8.290 nan 0.000 0.447 330 F N -3.851 116.243 119.950 0.240 0.000 2.668 330 F HA 0.370 4.897 4.527 -0.000 0.000 0.309 330 F C -0.607 175.275 175.800 0.137 0.000 1.117 330 F CA -1.452 56.672 58.000 0.207 0.000 0.951 330 F CB 0.638 39.829 39.000 0.318 0.000 1.323 330 F HN -0.144 nan 8.300 nan 0.000 0.451 331 H N 3.346 122.534 119.070 0.197 0.000 3.289 331 H HA 0.112 4.668 4.556 -0.000 0.000 0.248 331 H C 0.583 175.917 175.328 0.010 0.000 1.175 331 H CA 0.915 56.934 56.048 -0.048 0.000 1.496 331 H CB 0.901 30.566 29.762 -0.162 0.000 1.571 331 H HN 0.840 nan 8.280 nan 0.000 0.495 332 Q N 2.701 122.323 119.800 -0.298 0.000 2.167 332 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 332 Q C 2.021 178.057 176.000 0.059 0.000 0.970 332 Q CA 0.863 56.565 55.803 -0.168 0.000 0.855 332 Q CB 0.214 28.734 28.738 -0.364 0.000 0.911 332 Q HN 0.689 nan 8.270 nan 0.000 0.438 333 Q N 0.711 120.521 119.800 0.016 0.000 2.079 333 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 333 Q C 2.040 178.115 176.000 0.124 0.000 0.974 333 Q CA 1.220 57.068 55.803 0.074 0.000 0.840 333 Q CB -0.086 28.683 28.738 0.051 0.000 0.898 333 Q HN 0.374 nan 8.270 nan 0.000 0.430 334 A N 0.876 123.807 122.820 0.186 0.000 1.933 334 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 334 A C 1.971 179.606 177.584 0.084 0.000 1.175 334 A CA 1.193 53.166 52.037 -0.107 0.000 0.628 334 A CB -0.662 17.990 19.000 -0.579 0.000 0.814 334 A HN 0.463 nan 8.150 nan 0.000 0.444 335 L N -0.175 121.185 121.223 0.228 0.000 1.994 335 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 335 L C 2.490 179.509 176.870 0.248 0.000 1.071 335 L CA 2.411 57.429 54.840 0.297 0.000 0.745 335 L CB -0.949 41.370 42.059 0.433 0.000 0.892 335 L HN 0.508 nan 8.230 nan 0.000 0.431 336 Q N -0.551 119.365 119.800 0.193 0.000 2.077 336 Q HA -0.284 4.056 4.340 -0.000 0.000 0.206 336 Q C 2.135 178.184 176.000 0.083 0.000 0.989 336 Q CA 2.333 58.209 55.803 0.123 0.000 0.853 336 Q CB -0.224 28.565 28.738 0.085 0.000 0.907 336 Q HN 0.634 nan 8.270 nan 0.000 0.418 337 E N -0.611 119.621 120.200 0.055 0.000 2.153 337 E HA -0.217 4.133 4.350 -0.000 0.000 0.194 337 E C 1.658 178.266 176.600 0.014 0.000 0.988 337 E CA 0.959 57.347 56.400 -0.021 0.000 0.811 337 E CB -0.110 29.523 29.700 -0.112 0.000 0.746 337 E HN 0.389 nan 8.360 nan 0.000 0.466 338 Y N 0.965 121.275 120.300 0.017 0.000 2.220 338 Y HA -0.114 4.436 4.550 -0.000 0.000 0.291 338 Y C 1.887 177.819 175.900 0.054 0.000 1.129 338 Y CA 1.189 59.333 58.100 0.072 0.000 1.161 338 Y CB 0.027 38.540 38.460 0.088 0.000 0.997 338 Y HN -0.069 nan 8.280 nan 0.000 0.522 339 I N -0.466 120.138 120.570 0.056 0.000 2.286 339 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 339 I C 2.090 178.175 176.117 -0.054 0.000 1.104 339 I CA 1.094 62.388 61.300 -0.011 0.000 1.397 339 I CB -0.310 37.740 38.000 0.083 0.000 1.072 339 I HN 0.238 nan 8.210 nan 0.000 0.417 340 L N -0.458 120.754 121.223 -0.018 0.000 2.109 340 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 340 L C 2.470 179.333 176.870 -0.011 0.000 1.086 340 L CA 1.284 56.127 54.840 0.007 0.000 0.760 340 L CB -0.288 41.788 42.059 0.028 0.000 0.910 340 L HN 0.262 nan 8.230 nan 0.000 0.437 341 M N -1.719 117.811 119.600 -0.117 0.000 2.447 341 M HA -0.060 4.420 4.480 -0.000 0.000 0.266 341 M C 1.823 177.994 176.300 -0.215 0.000 1.120 341 M CA 0.921 56.067 55.300 -0.256 0.000 1.166 341 M CB 0.209 32.495 32.600 -0.524 0.000 1.349 341 M HN 0.325 nan 8.290 nan 0.000 0.463 342 C N -1.682 117.437 119.300 -0.302 0.000 3.065 342 C HA 0.181 4.641 4.460 -0.000 0.000 0.285 342 C C 1.946 176.726 174.990 -0.350 0.000 1.257 342 C CA -0.561 58.230 59.018 -0.378 0.000 1.691 342 C CB -0.773 26.581 27.740 -0.644 0.000 2.089 342 C HN 0.583 nan 8.230 nan 0.000 0.630 343 C N 0.467 119.594 119.300 -0.289 0.000 3.183 343 C HA 0.162 4.622 4.460 -0.000 0.000 0.285 343 C C 0.873 175.819 174.990 -0.074 0.000 1.313 343 C CA -0.142 58.769 59.018 -0.179 0.000 1.711 343 C CB -1.269 26.383 27.740 -0.146 0.000 2.135 343 C HN 0.610 nan 8.230 nan 0.000 0.651 344 Q N 0.291 120.075 119.800 -0.026 0.000 2.259 344 Q HA 0.338 4.678 4.340 -0.000 0.000 0.249 344 Q C -0.455 175.547 176.000 0.005 0.000 0.914 344 Q CA 0.087 55.922 55.803 0.053 0.000 0.904 344 Q CB 1.637 30.438 28.738 0.105 0.000 1.213 344 Q HN 0.467 nan 8.270 nan 0.000 0.428 345 C N 3.573 122.875 119.300 0.003 0.000 2.341 345 C HA 0.370 4.830 4.460 -0.000 0.000 0.338 345 C C -1.404 173.535 174.990 -0.086 0.000 1.257 345 C CA -2.007 56.968 59.018 -0.071 0.000 1.883 345 C CB 0.351 28.001 27.740 -0.151 0.000 2.334 345 C HN 0.719 nan 8.230 nan 0.000 0.524 346 P HA -0.070 nan 4.420 nan 0.000 0.215 346 P C 1.290 178.532 177.300 -0.097 0.000 1.157 346 P CA 2.239 65.290 63.100 -0.082 0.000 0.868 346 P CB 0.046 31.709 31.700 -0.061 0.000 0.788 347 A N -1.214 121.547 122.820 -0.098 0.000 2.172 347 A HA 0.366 4.686 4.320 -0.000 0.000 0.216 347 A C 1.124 178.647 177.584 -0.101 0.000 1.154 347 A CA 1.196 53.183 52.037 -0.084 0.000 0.701 347 A CB -1.202 17.752 19.000 -0.077 0.000 0.789 347 A HN 0.371 nan 8.150 nan 0.000 0.465 348 G N -3.422 105.282 108.800 -0.159 0.000 2.515 348 G HA2 0.535 4.495 3.960 -0.000 0.000 0.686 348 G HA3 0.535 4.495 3.960 -0.000 0.000 0.686 348 G C 0.405 175.144 174.900 -0.269 0.000 1.274 348 G CA -0.147 44.885 45.100 -0.112 0.000 0.874 348 G HN 2.430 nan 8.290 nan 0.000 0.631 349 G N -1.553 107.377 108.800 0.218 0.000 2.712 349 G HA2 0.348 4.308 3.960 -0.000 0.000 0.686 349 G HA3 0.348 4.308 3.960 -0.000 0.000 0.686 349 G C -0.593 174.266 174.900 -0.069 0.000 1.321 349 G CA 0.132 45.138 45.100 -0.156 0.000 0.813 349 G HN 1.671 nan 8.290 nan 0.000 0.599 350 L N 0.189 121.333 121.223 -0.131 0.000 2.303 350 L HA 0.939 5.279 4.340 -0.000 0.000 0.266 350 L C 0.446 177.276 176.870 -0.066 0.000 1.011 350 L CA -0.996 53.791 54.840 -0.088 0.000 0.818 350 L CB 1.777 43.760 42.059 -0.127 0.000 1.326 350 L HN 0.882 nan 8.230 nan 0.000 0.435 351 L N -2.617 118.559 121.223 -0.077 0.000 2.194 351 L HA 0.697 5.037 4.340 -0.000 0.000 0.248 351 L C 0.551 177.295 176.870 -0.209 0.000 1.071 351 L CA -0.676 54.079 54.840 -0.141 0.000 0.901 351 L CB 0.212 42.176 42.059 -0.159 0.000 1.497 351 L HN 0.460 nan 8.230 nan 0.000 0.442 352 D N 0.233 120.330 120.400 -0.505 0.000 2.106 352 D HA -0.104 4.536 4.640 -0.000 0.000 0.194 352 D C 0.008 176.268 176.300 -0.067 0.000 0.988 352 D CA 2.213 55.955 54.000 -0.431 0.000 0.845 352 D CB 0.326 40.802 40.800 -0.540 0.000 0.990 352 D HN 0.712 nan 8.370 nan 0.000 0.448 353 K N -1.682 118.676 120.400 -0.070 0.000 2.548 353 K HA 0.569 4.889 4.320 -0.000 0.000 0.282 353 K C -2.972 173.598 176.600 -0.050 0.000 1.006 353 K CA -1.824 54.474 56.287 0.017 0.000 0.892 353 K CB 1.467 34.017 32.500 0.082 0.000 1.499 353 K HN -0.254 nan 8.250 nan 0.000 0.433 354 P HA 0.029 nan 4.420 nan 0.000 0.264 354 P C 0.385 177.659 177.300 -0.043 0.000 1.193 354 P CA 1.612 64.676 63.100 -0.060 0.000 0.763 354 P CB 0.528 32.191 31.700 -0.063 0.000 0.810 355 G N 1.369 110.142 108.800 -0.045 0.000 2.176 355 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.232 355 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.232 355 G C 0.063 174.937 174.900 -0.044 0.000 0.986 355 G CA -0.336 44.742 45.100 -0.037 0.000 0.643 355 G HN 0.465 nan 8.290 nan 0.000 0.522 356 K N 1.241 121.603 120.400 -0.063 0.000 2.123 356 K HA 0.626 4.946 4.320 -0.000 0.000 0.259 356 K C 0.527 177.079 176.600 -0.081 0.000 0.960 356 K CA 0.024 56.265 56.287 -0.077 0.000 0.872 356 K CB 1.675 34.103 32.500 -0.120 0.000 1.079 356 K HN 0.507 nan 8.250 nan 0.000 0.440 357 S N 1.610 117.271 115.700 -0.066 0.000 2.545 357 S HA 0.245 4.715 4.470 -0.000 0.000 0.275 357 S C 0.338 174.898 174.600 -0.066 0.000 1.299 357 S CA -0.943 57.222 58.200 -0.059 0.000 1.048 357 S CB 0.684 63.864 63.200 -0.033 0.000 0.938 357 S HN 0.573 nan 8.310 nan 0.000 0.496 358 R N 0.976 121.418 120.500 -0.097 0.000 2.697 358 R HA 0.269 4.609 4.340 -0.000 0.000 0.265 358 R C -0.876 175.412 176.300 -0.019 0.000 1.009 358 R CA 0.077 56.101 56.100 -0.127 0.000 1.099 358 R CB -0.453 29.651 30.300 -0.328 0.000 0.965 358 R HN 0.833 nan 8.270 nan 0.000 0.428 359 D N 0.834 121.259 120.400 0.041 0.000 2.654 359 D HA 0.124 4.764 4.640 -0.000 0.000 0.231 359 D C -0.345 176.001 176.300 0.077 0.000 1.239 359 D CA -0.865 53.205 54.000 0.117 0.000 0.790 359 D CB 0.247 41.161 40.800 0.189 0.000 1.480 359 D HN 0.381 nan 8.370 nan 0.000 0.442 360 F N -0.249 119.904 119.950 0.338 0.000 2.269 360 F HA -0.072 4.455 4.527 -0.000 0.000 0.301 360 F C 1.915 177.681 175.800 -0.057 0.000 1.082 360 F CA 0.841 58.946 58.000 0.175 0.000 1.360 360 F CB -0.463 38.657 39.000 0.200 0.000 1.041 360 F HN 0.526 nan 8.300 nan 0.000 0.512 361 Y N 0.217 120.322 120.300 -0.325 0.000 2.184 361 Y HA -0.204 4.346 4.550 -0.000 0.000 0.290 361 Y C 2.341 177.948 175.900 -0.489 0.000 1.129 361 Y CA 1.845 59.350 58.100 -0.991 0.000 1.144 361 Y CB -0.891 36.726 38.460 -1.405 0.000 0.995 361 Y HN 0.049 nan 8.280 nan 0.000 0.513 362 H N -0.795 118.136 119.070 -0.232 0.000 2.495 362 H HA -0.057 4.499 4.556 -0.000 0.000 0.287 362 H C 1.971 177.159 175.328 -0.234 0.000 1.033 362 H CA 1.681 57.576 56.048 -0.255 0.000 1.307 362 H CB 0.040 29.759 29.762 -0.070 0.000 1.401 362 H HN 0.349 nan 8.280 nan 0.000 0.555 363 T N -0.833 113.664 114.554 -0.095 0.000 2.770 363 T HA -0.202 4.148 4.350 -0.000 0.000 0.263 363 T C 2.321 176.883 174.700 -0.231 0.000 1.039 363 T CA 1.165 63.198 62.100 -0.113 0.000 1.142 363 T CB -0.723 68.160 68.868 0.024 0.000 0.868 363 T HN 0.562 nan 8.240 nan 0.000 0.435 364 C N 0.919 120.019 119.300 -0.333 0.000 2.413 364 C HA -0.118 4.342 4.460 -0.000 0.000 0.276 364 C C 2.340 176.896 174.990 -0.723 0.000 1.236 364 C CA 0.592 59.293 59.018 -0.527 0.000 1.735 364 C CB -1.478 25.855 27.740 -0.679 0.000 2.031 364 C HN 0.636 nan 8.230 nan 0.000 0.474 365 Y N -0.591 119.405 120.300 -0.508 0.000 2.475 365 Y HA 0.032 4.582 4.550 -0.000 0.000 0.289 365 Y C 2.813 178.538 175.900 -0.293 0.000 1.121 365 Y CA 1.046 58.831 58.100 -0.525 0.000 1.257 365 Y CB -0.512 37.469 38.460 -0.799 0.000 1.026 365 Y HN 0.398 nan 8.280 nan 0.000 0.555 366 C N -0.197 119.018 119.300 -0.141 0.000 2.466 366 C HA -0.105 4.355 4.460 -0.000 0.000 0.278 366 C C 2.652 177.596 174.990 -0.075 0.000 1.288 366 C CA 0.881 59.865 59.018 -0.056 0.000 1.722 366 C CB -1.070 26.639 27.740 -0.053 0.000 2.017 366 C HN 0.529 nan 8.230 nan 0.000 0.488 367 L N 0.216 121.349 121.223 -0.151 0.000 2.093 367 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 367 L C 2.635 179.430 176.870 -0.125 0.000 1.085 367 L CA 1.273 56.023 54.840 -0.150 0.000 0.755 367 L CB -0.625 41.308 42.059 -0.211 0.000 0.904 367 L HN 0.305 nan 8.230 nan 0.000 0.435 368 S N 0.076 115.682 115.700 -0.158 0.000 2.368 368 S HA -0.116 4.354 4.470 -0.000 0.000 0.225 368 S C 2.021 176.669 174.600 0.080 0.000 1.030 368 S CA 1.172 59.330 58.200 -0.069 0.000 0.999 368 S CB -0.573 62.462 63.200 -0.275 0.000 0.844 368 S HN 0.598 nan 8.310 nan 0.000 0.459 369 G N 2.122 110.967 108.800 0.075 0.000 2.511 369 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 369 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 369 G C 1.378 176.329 174.900 0.085 0.000 1.218 369 G CA 1.087 46.242 45.100 0.091 0.000 0.788 369 G HN 0.398 nan 8.290 nan 0.000 0.560 370 L N 1.068 122.323 121.223 0.054 0.000 2.010 370 L HA -0.189 4.151 4.340 -0.000 0.000 0.219 370 L C 2.986 179.852 176.870 -0.007 0.000 1.077 370 L CA 2.779 57.644 54.840 0.041 0.000 0.773 370 L CB -0.883 41.181 42.059 0.008 0.000 0.892 370 L HN 0.283 nan 8.230 nan 0.000 0.436 371 S N -0.976 114.695 115.700 -0.049 0.000 2.374 371 S HA -0.196 4.274 4.470 -0.000 0.000 0.227 371 S C 2.009 176.535 174.600 -0.122 0.000 1.037 371 S CA 1.668 59.771 58.200 -0.160 0.000 1.024 371 S CB -0.385 62.779 63.200 -0.059 0.000 0.861 371 S HN 0.432 nan 8.310 nan 0.000 0.456 372 I N 1.738 122.353 120.570 0.075 0.000 2.315 372 I HA -0.043 4.127 4.170 -0.000 0.000 0.248 372 I C 2.742 179.052 176.117 0.321 0.000 1.117 372 I CA 1.218 62.633 61.300 0.190 0.000 1.404 372 I CB -1.778 36.291 38.000 0.114 0.000 1.071 372 I HN 0.389 nan 8.210 nan 0.000 0.419 373 A N 0.042 123.025 122.820 0.272 0.000 2.121 373 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 373 A C 2.159 179.828 177.584 0.141 0.000 1.154 373 A CA 1.091 53.316 52.037 0.313 0.000 0.679 373 A CB -0.314 18.861 19.000 0.292 0.000 0.795 373 A HN 0.545 nan 8.150 nan 0.000 0.458 374 Q N -1.201 118.617 119.800 0.029 0.000 2.349 374 Q HA 0.064 4.404 4.340 -0.000 0.000 0.209 374 Q C -0.320 175.775 176.000 0.158 0.000 0.920 374 Q CA 0.304 56.092 55.803 -0.024 0.000 0.901 374 Q CB 0.236 28.867 28.738 -0.177 0.000 1.021 374 Q HN 0.699 nan 8.270 nan 0.000 0.519 375 H N -0.561 118.613 119.070 0.173 0.000 2.476 375 H HA 0.314 4.870 4.556 -0.000 0.000 0.328 375 H C -1.478 173.989 175.328 0.230 0.000 1.073 375 H CA -1.033 55.109 56.048 0.156 0.000 1.229 375 H CB 0.546 30.400 29.762 0.153 0.000 1.432 375 H HN 0.012 nan 8.280 nan 0.000 0.477 376 F N 1.762 121.677 119.950 -0.057 0.000 2.469 376 F HA 0.645 5.172 4.527 -0.000 0.000 0.332 376 F C 0.111 175.731 175.800 -0.300 0.000 1.103 376 F CA -0.379 57.311 58.000 -0.518 0.000 0.979 376 F CB 1.560 40.110 39.000 -0.749 0.000 1.137 376 F HN 0.585 nan 8.300 nan 0.000 0.463 377 G N 1.321 109.325 108.800 -1.326 0.000 2.630 377 G HA2 0.535 4.495 3.960 -0.000 0.000 0.296 377 G HA3 0.535 4.495 3.960 -0.000 0.000 0.296 377 G C -1.282 172.921 174.900 -1.161 0.000 1.285 377 G CA -0.928 43.697 45.100 -0.792 0.000 0.958 377 G HN 1.001 nan 8.290 nan 0.000 0.479 378 S N -0.645 114.769 115.700 -0.475 0.000 3.609 378 S HA 0.467 4.937 4.470 -0.000 0.000 0.134 378 S C 0.592 175.116 174.600 -0.127 0.000 0.789 378 S CA 0.528 58.556 58.200 -0.287 0.000 0.776 378 S CB -0.995 62.129 63.200 -0.125 0.000 1.221 378 S HN 2.838 nan 8.310 nan 0.000 0.626 379 G N 3.256 111.986 108.800 -0.116 0.000 2.582 379 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.288 379 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.288 379 G C 1.198 176.093 174.900 -0.008 0.000 1.247 379 G CA 0.750 45.830 45.100 -0.034 0.000 0.972 379 G HN 1.967 nan 8.290 nan 0.000 0.557 380 A N -0.885 121.949 122.820 0.023 0.000 2.024 380 A HA 0.146 4.466 4.320 -0.000 0.000 0.220 380 A C 1.757 179.364 177.584 0.038 0.000 1.164 380 A CA 2.235 54.288 52.037 0.028 0.000 0.643 380 A CB -0.407 18.613 19.000 0.034 0.000 0.806 380 A HN 0.791 nan 8.150 nan 0.000 0.451 381 M N 0.693 120.332 119.600 0.064 0.000 2.612 381 M HA 0.265 4.745 4.480 -0.000 0.000 0.336 381 M C -0.935 175.459 176.300 0.157 0.000 1.699 381 M CA 0.620 55.993 55.300 0.122 0.000 1.284 381 M CB -1.024 31.704 32.600 0.214 0.000 1.957 381 M HN 0.164 nan 8.290 nan 0.000 0.456 382 L N 4.247 125.549 121.223 0.132 0.000 2.406 382 L HA 0.384 4.724 4.340 -0.000 0.000 0.270 382 L C -0.727 176.245 176.870 0.169 0.000 0.982 382 L CA -0.517 54.403 54.840 0.133 0.000 0.843 382 L CB 1.516 43.597 42.059 0.038 0.000 1.225 382 L HN 0.613 nan 8.230 nan 0.000 0.412 383 H N 2.103 121.232 119.070 0.098 0.000 2.924 383 H HA 0.448 5.004 4.556 -0.000 0.000 0.333 383 H C -1.561 173.802 175.328 0.059 0.000 0.979 383 H CA -0.664 55.389 56.048 0.008 0.000 1.326 383 H CB 1.305 30.992 29.762 -0.126 0.000 1.600 383 H HN 0.388 nan 8.280 nan 0.000 0.520 384 D N 4.206 124.404 120.400 -0.336 0.000 2.168 384 D HA 0.314 4.954 4.640 -0.000 0.000 0.246 384 D C -0.281 175.830 176.300 -0.316 0.000 1.050 384 D CA -0.434 53.434 54.000 -0.220 0.000 0.857 384 D CB 2.210 43.018 40.800 0.013 0.000 1.169 384 D HN 0.234 nan 8.370 nan 0.000 0.453 385 V N 2.083 121.882 119.914 -0.191 0.000 2.435 385 V HA 0.435 4.555 4.120 -0.000 0.000 0.290 385 V C 0.045 176.129 176.094 -0.017 0.000 1.030 385 V CA -0.696 61.534 62.300 -0.117 0.000 0.881 385 V CB 1.913 33.650 31.823 -0.143 0.000 0.983 385 V HN 0.315 nan 8.190 nan 0.000 0.445 386 V N 6.178 126.097 119.914 0.008 0.000 2.538 386 V HA 0.283 4.403 4.120 -0.000 0.000 0.265 386 V C -0.167 175.943 176.094 0.027 0.000 0.977 386 V CA -0.285 62.033 62.300 0.029 0.000 0.852 386 V CB 1.206 33.060 31.823 0.051 0.000 1.058 386 V HN 0.733 nan 8.190 nan 0.000 0.462 387 L N 3.597 124.833 121.223 0.022 0.000 2.483 387 L HA 0.645 4.985 4.340 -0.000 0.000 0.277 387 L C 1.322 178.208 176.870 0.028 0.000 1.248 387 L CA 2.225 57.078 54.840 0.022 0.000 0.825 387 L CB 0.488 42.559 42.059 0.020 0.000 1.096 387 L HN 0.901 nan 8.230 nan 0.000 0.512 388 G N 1.055 109.872 108.800 0.027 0.000 2.552 388 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.265 388 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.265 388 G C -0.162 174.755 174.900 0.028 0.000 1.234 388 G CA 0.067 45.186 45.100 0.031 0.000 0.944 388 G HN 1.491 nan 8.290 nan 0.000 0.568 389 V N -1.240 118.691 119.914 0.027 0.000 3.441 389 V HA 0.691 4.811 4.120 -0.000 0.000 0.300 389 V C -0.248 175.862 176.094 0.027 0.000 1.062 389 V CA 0.106 62.420 62.300 0.023 0.000 1.064 389 V CB 1.396 33.230 31.823 0.018 0.000 1.197 389 V HN 0.827 nan 8.190 nan 0.000 0.451 390 P HA 0.033 nan 4.420 nan 0.000 0.227 390 P C 1.024 178.343 177.300 0.031 0.000 1.161 390 P CA 0.930 64.047 63.100 0.029 0.000 0.788 390 P CB 0.394 32.108 31.700 0.023 0.000 0.822 391 E N 0.317 120.532 120.200 0.025 0.000 2.204 391 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 391 E C 1.740 178.360 176.600 0.034 0.000 0.989 391 E CA 0.749 57.163 56.400 0.024 0.000 0.824 391 E CB -0.701 29.007 29.700 0.015 0.000 0.756 391 E HN 0.222 nan 8.360 nan 0.000 0.477 392 N N 0.885 119.608 118.700 0.038 0.000 2.364 392 N HA -0.061 4.679 4.740 -0.000 0.000 0.183 392 N C 0.157 175.695 175.510 0.047 0.000 1.022 392 N CA 0.837 53.914 53.050 0.044 0.000 0.883 392 N CB -0.377 38.136 38.487 0.043 0.000 0.965 392 N HN 0.109 nan 8.380 nan 0.000 0.438 393 A N 0.901 123.756 122.820 0.059 0.000 2.540 393 A HA 0.257 4.577 4.320 -0.000 0.000 0.239 393 A C 0.347 177.986 177.584 0.092 0.000 1.061 393 A CA 0.175 52.269 52.037 0.095 0.000 0.758 393 A CB -0.045 19.028 19.000 0.121 0.000 0.991 393 A HN 0.231 nan 8.150 nan 0.000 0.502 394 L N 1.339 122.619 121.223 0.095 0.000 2.298 394 L HA 0.373 4.713 4.340 -0.000 0.000 0.268 394 L C 0.159 177.151 176.870 0.203 0.000 1.010 394 L CA -1.082 53.805 54.840 0.078 0.000 0.812 394 L CB 1.091 43.144 42.059 -0.010 0.000 1.331 394 L HN 0.631 nan 8.230 nan 0.000 0.450 395 Q N 2.186 122.061 119.800 0.125 0.000 2.288 395 Q HA 0.280 4.620 4.340 -0.000 0.000 0.254 395 Q C -2.235 173.893 176.000 0.214 0.000 0.932 395 Q CA -1.753 54.144 55.803 0.157 0.000 0.902 395 Q CB 0.800 29.579 28.738 0.068 0.000 1.203 395 Q HN 0.233 nan 8.270 nan 0.000 0.415 396 P HA -0.009 nan 4.420 nan 0.000 0.270 396 P C -0.339 177.111 177.300 0.250 0.000 1.227 396 P CA 0.010 63.333 63.100 0.371 0.000 0.788 396 P CB 0.773 32.658 31.700 0.308 0.000 0.926 397 T N -0.463 114.255 114.554 0.273 0.000 2.933 397 T HA 0.154 4.504 4.350 -0.000 0.000 0.305 397 T C -0.850 174.058 174.700 0.347 0.000 1.092 397 T CA -0.566 61.724 62.100 0.317 0.000 1.008 397 T CB 0.404 69.477 68.868 0.342 0.000 1.102 397 T HN 0.427 nan 8.240 nan 0.000 0.469 398 H N 6.700 125.941 119.070 0.285 0.000 3.017 398 H HA 0.218 4.774 4.556 -0.000 0.000 0.276 398 H C -1.513 174.037 175.328 0.370 0.000 1.062 398 H CA -1.622 54.610 56.048 0.306 0.000 1.486 398 H CB 1.574 31.538 29.762 0.337 0.000 1.507 398 H HN 0.458 nan 8.280 nan 0.000 0.508 399 P HA -0.175 nan 4.420 nan 0.000 0.220 399 P C 1.291 178.915 177.300 0.540 0.000 1.144 399 P CA 0.708 64.031 63.100 0.371 0.000 0.800 399 P CB 0.482 32.214 31.700 0.053 0.000 0.772 400 V N -2.334 117.981 119.914 0.667 0.000 2.725 400 V HA -0.078 4.042 4.120 -0.000 0.000 0.247 400 V C 1.827 178.080 176.094 0.266 0.000 1.058 400 V CA 1.444 63.949 62.300 0.342 0.000 1.080 400 V CB -0.973 30.916 31.823 0.109 0.000 0.713 400 V HN 0.009 nan 8.190 nan 0.000 0.465 401 Y N -1.344 119.281 120.300 0.541 0.000 2.430 401 Y HA 0.360 4.910 4.550 -0.000 0.000 0.254 401 Y C 1.264 177.385 175.900 0.369 0.000 1.088 401 Y CA -0.264 58.078 58.100 0.402 0.000 1.267 401 Y CB 0.083 38.581 38.460 0.063 0.000 1.204 401 Y HN 0.301 nan 8.280 nan 0.000 0.515 402 N N 1.407 120.414 118.700 0.512 0.000 2.758 402 N HA -0.194 4.546 4.740 -0.000 0.000 0.248 402 N C -0.810 174.618 175.510 -0.137 0.000 1.076 402 N CA 1.003 54.132 53.050 0.132 0.000 0.696 402 N CB -1.405 36.937 38.487 -0.242 0.000 0.979 402 N HN 0.663 nan 8.380 nan 0.000 0.550 403 I N -4.177 116.494 120.570 0.169 0.000 3.095 403 I HA 0.731 4.901 4.170 -0.000 0.000 0.310 403 I C 0.999 177.288 176.117 0.287 0.000 1.196 403 I CA -0.879 60.535 61.300 0.190 0.000 0.985 403 I CB 1.601 39.680 38.000 0.132 0.000 1.250 403 I HN 0.022 nan 8.210 nan 0.000 0.446 404 G N 3.251 112.207 108.800 0.261 0.000 2.187 404 G HA2 0.149 4.109 3.960 -0.000 0.000 0.239 404 G HA3 0.149 4.109 3.960 -0.000 0.000 0.239 404 G C -1.932 173.095 174.900 0.211 0.000 1.200 404 G CA -0.414 44.813 45.100 0.211 0.000 0.888 404 G HN 0.638 nan 8.290 nan 0.000 0.482 405 P HA -0.151 nan 4.420 nan 0.000 0.216 405 P C 1.647 179.055 177.300 0.181 0.000 1.153 405 P CA 1.662 64.921 63.100 0.264 0.000 0.858 405 P CB 0.173 31.994 31.700 0.202 0.000 0.789 406 D N -0.838 119.640 120.400 0.130 0.000 2.183 406 D HA -0.155 4.485 4.640 -0.000 0.000 0.203 406 D C 1.466 177.815 176.300 0.082 0.000 0.969 406 D CA 1.016 55.072 54.000 0.094 0.000 0.842 406 D CB -0.593 40.253 40.800 0.076 0.000 0.957 406 D HN 0.085 nan 8.370 nan 0.000 0.484 407 K N 0.816 121.267 120.400 0.085 0.000 2.147 407 K HA -0.046 4.274 4.320 -0.000 0.000 0.205 407 K C 2.400 179.018 176.600 0.030 0.000 1.049 407 K CA 0.456 56.786 56.287 0.073 0.000 0.936 407 K CB -0.280 32.265 32.500 0.076 0.000 0.722 407 K HN 0.222 nan 8.250 nan 0.000 0.446 408 V N 1.488 121.389 119.914 -0.022 0.000 2.255 408 V HA -0.190 3.930 4.120 -0.000 0.000 0.243 408 V C 2.384 178.439 176.094 -0.065 0.000 1.038 408 V CA 1.345 63.549 62.300 -0.160 0.000 1.008 408 V CB -0.553 31.117 31.823 -0.255 0.000 0.645 408 V HN 0.114 nan 8.190 nan 0.000 0.449 409 I N 0.071 120.652 120.570 0.018 0.000 2.118 409 I HA -0.379 3.791 4.170 -0.000 0.000 0.241 409 I C 2.760 178.901 176.117 0.040 0.000 1.070 409 I CA 2.256 63.581 61.300 0.042 0.000 1.327 409 I CB -0.563 37.477 38.000 0.066 0.000 1.034 409 I HN 0.381 nan 8.210 nan 0.000 0.405 410 Q N 0.752 120.587 119.800 0.058 0.000 2.061 410 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 410 Q C 2.336 178.370 176.000 0.057 0.000 0.984 410 Q CA 2.214 58.066 55.803 0.082 0.000 0.846 410 Q CB -0.114 28.697 28.738 0.122 0.000 0.902 410 Q HN 0.598 nan 8.270 nan 0.000 0.421 411 A N 0.149 122.998 122.820 0.049 0.000 1.855 411 A HA -0.181 4.139 4.320 -0.000 0.000 0.215 411 A C 2.265 179.916 177.584 0.113 0.000 1.191 411 A CA 2.072 54.091 52.037 -0.030 0.000 0.613 411 A CB -1.206 17.839 19.000 0.075 0.000 0.829 411 A HN 0.652 nan 8.150 nan 0.000 0.442 412 T N -2.879 111.705 114.554 0.050 0.000 2.788 412 T HA -0.153 4.197 4.350 -0.000 0.000 0.268 412 T C 1.835 176.586 174.700 0.085 0.000 1.044 412 T CA 2.064 64.208 62.100 0.073 0.000 1.139 412 T CB -1.138 67.728 68.868 -0.003 0.000 0.867 412 T HN 0.315 nan 8.240 nan 0.000 0.454 413 T N 1.078 115.660 114.554 0.046 0.000 2.607 413 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 413 T C 1.457 176.152 174.700 -0.007 0.000 1.049 413 T CA 1.859 63.975 62.100 0.027 0.000 1.162 413 T CB -0.789 68.101 68.868 0.036 0.000 0.863 413 T HN 0.537 nan 8.240 nan 0.000 0.424 414 Y N 0.974 121.151 120.300 -0.205 0.000 2.151 414 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 414 Y C 1.769 177.413 175.900 -0.427 0.000 1.166 414 Y CA 1.368 59.233 58.100 -0.392 0.000 1.163 414 Y CB -0.616 37.384 38.460 -0.766 0.000 0.974 414 Y HN 0.279 nan 8.280 nan 0.000 0.511 415 F N -1.089 118.710 119.950 -0.252 0.000 2.615 415 F HA -0.015 4.512 4.527 -0.000 0.000 0.297 415 F C 2.024 177.715 175.800 -0.182 0.000 1.124 415 F CA 0.440 58.284 58.000 -0.260 0.000 1.451 415 F CB -0.348 38.567 39.000 -0.141 0.000 1.103 415 F HN 0.001 nan 8.300 nan 0.000 0.569 416 L N -0.220 121.013 121.223 0.015 0.000 2.093 416 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 416 L C 1.396 178.234 176.870 -0.054 0.000 1.085 416 L CA 1.067 55.907 54.840 0.000 0.000 0.755 416 L CB -0.617 41.447 42.059 0.009 0.000 0.904 416 L HN 0.173 nan 8.230 nan 0.000 0.435 417 Q N 0.748 120.474 119.800 -0.124 0.000 2.292 417 Q HA 0.081 4.421 4.340 -0.000 0.000 0.235 417 Q C -0.611 175.272 176.000 -0.195 0.000 0.910 417 Q CA 0.391 56.104 55.803 -0.149 0.000 0.952 417 Q CB -0.148 28.479 28.738 -0.186 0.000 1.089 417 Q HN 0.191 nan 8.270 nan 0.000 0.431 418 K N 0.788 121.108 120.400 -0.133 0.000 2.509 418 K HA 0.469 4.789 4.320 -0.000 0.000 0.266 418 K C -2.496 174.083 176.600 -0.035 0.000 0.987 418 K CA -2.013 54.209 56.287 -0.108 0.000 0.868 418 K CB 1.338 33.774 32.500 -0.106 0.000 1.421 418 K HN -0.118 nan 8.250 nan 0.000 0.444 419 P HA 0.200 nan 4.420 nan 0.000 0.306 419 P C 0.214 177.528 177.300 0.022 0.000 1.301 419 P CA -0.179 62.923 63.100 0.003 0.000 0.744 419 P CB 0.698 32.401 31.700 0.005 0.000 1.400 420 V N -3.355 116.577 119.914 0.029 0.000 4.060 420 V HA 0.126 4.246 4.120 -0.000 0.000 0.170 420 V C -1.765 174.358 176.094 0.047 0.000 1.358 420 V CA 0.044 62.368 62.300 0.040 0.000 1.213 420 V CB -1.992 29.855 31.823 0.041 0.000 1.269 420 V HN 0.423 nan 8.190 nan 0.000 0.591 421 P HA 0.000 nan 4.420 nan 0.000 0.216 421 P CA 0.000 63.129 63.100 0.048 0.000 0.800 421 P CB 0.000 31.719 31.700 0.031 0.000 0.726