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 2fg6_1_Z DATA FIRST_RESID -1 DATA SEQUENCE SHMKKFTCVQ DIGDLKSALA ESFEIKKDRF KYVELGRNKT LLMIFFNSSL DATA SEQUENCE RTRLSTQKAA LNLGMNVIVL DINQGAWKLE TERGVIMDGD KPEHLLEAIP DATA SEQUENCE VMGCYCDIIG VRSFARFENR EYDYNEVIIN QFIQHSGRPV FSMEAATRHP DATA SEQUENCE LQSFADLITI EEYKKTARPK VVMTWAPHPR PLPQAVPNSF AEWMNATDYE DATA SEQUENCE FVITHPEGYE LDPKFVGNAR VEYDQMKAFE GADFIYAKNW AAYLGDNYGQ DATA SEQUENCE ILSTDRNWTV GDRQMAVTNN AYFMHCLPVR RNMIVTDDVI ESPQSIVIPE DATA SEQUENCE AANREISATV VLKRLLENLP 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 -1 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.596 174.600 -0.006 0.000 1.055 -1 S CA 0.000 58.227 58.200 0.045 0.000 1.107 -1 S CB 0.000 63.295 63.200 0.158 0.000 0.593 0 H N 1.475 120.538 119.070 -0.012 0.000 2.432 0 H HA 0.534 5.090 4.556 -0.000 0.000 0.226 0 H C -0.432 174.899 175.328 0.005 0.000 1.634 0 H CA 0.017 56.062 56.048 -0.005 0.000 1.253 0 H CB 0.099 29.858 29.762 -0.006 0.000 1.584 0 H HN 0.269 nan 8.280 nan 0.000 0.545 1 M N 1.828 121.464 119.600 0.061 0.000 2.146 1 M HA 0.125 4.605 4.480 -0.000 0.000 0.352 1 M C 0.162 176.504 176.300 0.071 0.000 1.343 1 M CA 0.231 55.572 55.300 0.069 0.000 1.115 1 M CB 0.413 33.043 32.600 0.050 0.000 1.657 1 M HN 0.395 nan 8.290 nan 0.000 0.471 2 K N 3.589 124.042 120.400 0.089 0.000 2.360 2 K HA 0.166 4.486 4.320 -0.000 0.000 0.196 2 K C -0.307 176.358 176.600 0.108 0.000 1.049 2 K CA 0.312 56.650 56.287 0.083 0.000 1.049 2 K CB 0.623 33.164 32.500 0.069 0.000 0.881 2 K HN 0.661 nan 8.250 nan 0.000 0.542 3 K N -0.806 119.680 120.400 0.142 0.000 2.580 3 K HA 0.344 4.664 4.320 -0.000 0.000 0.288 3 K C -1.722 175.060 176.600 0.303 0.000 1.041 3 K CA -0.966 55.438 56.287 0.195 0.000 0.855 3 K CB 1.054 33.636 32.500 0.136 0.000 1.543 3 K HN -0.116 nan 8.250 nan 0.000 0.388 4 F N 1.605 121.640 119.950 0.141 0.000 3.361 4 F HA 0.290 4.817 4.527 -0.000 0.000 0.390 4 F C -0.567 175.337 175.800 0.174 0.000 1.251 4 F CA -0.067 58.022 58.000 0.149 0.000 1.260 4 F CB 1.534 40.632 39.000 0.163 0.000 1.847 4 F HN 0.765 nan 8.300 nan 0.000 0.673 5 T N -1.032 113.388 114.554 -0.224 0.000 2.986 5 T HA 0.366 4.716 4.350 -0.000 0.000 0.264 5 T C 0.356 174.911 174.700 -0.241 0.000 0.964 5 T CA 0.614 62.603 62.100 -0.184 0.000 0.895 5 T CB -0.435 68.405 68.868 -0.048 0.000 1.163 5 T HN 0.690 nan 8.240 nan 0.000 0.517 6 C N -1.239 117.870 119.300 -0.317 0.000 3.241 6 C HA 0.805 5.265 4.460 -0.000 0.000 0.312 6 C C 1.545 176.361 174.990 -0.290 0.000 1.350 6 C CA -0.523 58.380 59.018 -0.192 0.000 1.415 6 C CB 1.134 28.812 27.740 -0.103 0.000 1.770 6 C HN -0.005 nan 8.230 nan 0.000 0.466 7 V N 1.298 120.960 119.914 -0.419 0.000 2.688 7 V HA -0.207 3.913 4.120 -0.000 0.000 0.256 7 V C 2.311 178.038 176.094 -0.611 0.000 1.084 7 V CA 2.630 64.326 62.300 -1.008 0.000 1.103 7 V CB -0.658 30.068 31.823 -1.829 0.000 0.688 7 V HN 0.976 nan 8.190 nan 0.000 0.480 8 Q N 0.021 119.599 119.800 -0.371 0.000 2.124 8 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 8 Q C 1.971 177.876 176.000 -0.158 0.000 0.977 8 Q CA 2.107 57.763 55.803 -0.246 0.000 0.850 8 Q CB -0.466 28.170 28.738 -0.170 0.000 0.901 8 Q HN 0.678 nan 8.270 nan 0.000 0.429 9 D N -0.244 120.096 120.400 -0.100 0.000 2.182 9 D HA -0.148 4.492 4.640 -0.000 0.000 0.201 9 D C 1.529 177.884 176.300 0.091 0.000 0.986 9 D CA 0.785 54.807 54.000 0.037 0.000 0.847 9 D CB -0.021 40.867 40.800 0.147 0.000 0.942 9 D HN 0.211 nan 8.370 nan 0.000 0.467 10 I N 0.061 120.663 120.570 0.053 0.000 2.928 10 I HA 0.030 4.200 4.170 -0.000 0.000 0.266 10 I C 1.429 177.489 176.117 -0.095 0.000 1.234 10 I CA 0.849 62.150 61.300 0.002 0.000 1.483 10 I CB -0.351 37.592 38.000 -0.095 0.000 1.097 10 I HN 0.120 nan 8.210 nan 0.000 0.455 11 G N 0.462 109.183 108.800 -0.131 0.000 2.528 11 G HA2 -0.382 3.578 3.960 -0.000 0.000 0.262 11 G HA3 -0.382 3.578 3.960 -0.000 0.000 0.262 11 G C -0.157 174.654 174.900 -0.149 0.000 1.200 11 G CA 0.112 45.139 45.100 -0.121 0.000 0.951 11 G HN 0.540 nan 8.290 nan 0.000 0.566 12 D N 1.009 121.348 120.400 -0.101 0.000 2.502 12 D HA 0.230 4.870 4.640 -0.000 0.000 0.249 12 D C 1.922 178.169 176.300 -0.089 0.000 1.188 12 D CA 0.390 54.336 54.000 -0.090 0.000 0.890 12 D CB 0.127 40.896 40.800 -0.052 0.000 1.140 12 D HN 0.486 nan 8.370 nan 0.000 0.505 13 L N 3.503 124.660 121.223 -0.109 0.000 2.265 13 L HA -0.127 4.213 4.340 -0.000 0.000 0.215 13 L C 2.341 179.215 176.870 0.006 0.000 1.117 13 L CA 0.844 55.639 54.840 -0.076 0.000 0.782 13 L CB -0.388 41.610 42.059 -0.101 0.000 0.914 13 L HN 0.555 nan 8.230 nan 0.000 0.441 14 K N 0.611 121.013 120.400 0.003 0.000 2.001 14 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 14 K C 2.344 178.981 176.600 0.063 0.000 1.048 14 K CA 1.787 58.097 56.287 0.037 0.000 0.932 14 K CB 0.033 32.543 32.500 0.017 0.000 0.715 14 K HN 0.304 nan 8.250 nan 0.000 0.437 15 S N 0.194 115.918 115.700 0.040 0.000 2.428 15 S HA 0.003 4.473 4.470 -0.000 0.000 0.230 15 S C 2.160 176.807 174.600 0.078 0.000 1.014 15 S CA 0.638 58.869 58.200 0.051 0.000 0.957 15 S CB -0.116 63.099 63.200 0.025 0.000 0.784 15 S HN 0.394 nan 8.310 nan 0.000 0.499 16 A N 2.349 125.213 122.820 0.073 0.000 1.877 16 A HA 0.146 4.466 4.320 -0.000 0.000 0.216 16 A C 2.261 179.993 177.584 0.247 0.000 1.186 16 A CA 1.354 53.471 52.037 0.132 0.000 0.620 16 A CB -0.894 18.113 19.000 0.012 0.000 0.822 16 A HN 0.522 nan 8.150 nan 0.000 0.443 17 L N -0.885 120.481 121.223 0.239 0.000 2.201 17 L HA -0.139 4.200 4.340 -0.000 0.000 0.212 17 L C 2.989 180.066 176.870 0.346 0.000 1.105 17 L CA 0.710 55.736 54.840 0.310 0.000 0.775 17 L CB -0.458 41.811 42.059 0.350 0.000 0.913 17 L HN 0.465 nan 8.230 nan 0.000 0.440 18 A N 0.118 123.079 122.820 0.235 0.000 1.855 18 A HA -0.185 4.135 4.320 -0.000 0.000 0.215 18 A C 2.166 179.855 177.584 0.174 0.000 1.191 18 A CA 1.328 53.490 52.037 0.208 0.000 0.613 18 A CB -0.371 18.704 19.000 0.125 0.000 0.829 18 A HN 0.390 nan 8.150 nan 0.000 0.442 19 E N 0.143 120.414 120.200 0.119 0.000 2.118 19 E HA -0.140 4.209 4.350 -0.000 0.000 0.195 19 E C 2.321 178.937 176.600 0.027 0.000 0.992 19 E CA 1.305 57.747 56.400 0.071 0.000 0.804 19 E CB -0.185 29.536 29.700 0.035 0.000 0.741 19 E HN 0.583 nan 8.360 nan 0.000 0.458 20 S N 0.736 116.428 115.700 -0.014 0.000 2.354 20 S HA -0.154 4.316 4.470 -0.000 0.000 0.219 20 S C 1.704 176.147 174.600 -0.261 0.000 1.035 20 S CA 1.258 59.320 58.200 -0.231 0.000 1.037 20 S CB -0.447 62.517 63.200 -0.394 0.000 0.956 20 S HN 0.219 nan 8.310 nan 0.000 0.428 21 F N 1.745 121.695 119.950 0.000 0.000 2.333 21 F HA -0.032 4.495 4.527 -0.000 0.000 0.300 21 F C 2.490 178.292 175.800 0.004 0.000 1.083 21 F CA 0.890 58.889 58.000 -0.002 0.000 1.395 21 F CB -0.243 38.763 39.000 0.009 0.000 1.056 21 F HN 0.286 nan 8.300 nan 0.000 0.529 22 E N 0.851 121.143 120.200 0.154 0.000 2.106 22 E HA -0.179 4.170 4.350 -0.000 0.000 0.192 22 E C 2.228 178.873 176.600 0.074 0.000 0.984 22 E CA 1.140 57.611 56.400 0.118 0.000 0.806 22 E CB -0.118 29.663 29.700 0.135 0.000 0.750 22 E HN 0.435 nan 8.360 nan 0.000 0.458 23 I N 0.661 121.253 120.570 0.037 0.000 2.500 23 I HA -0.194 3.976 4.170 -0.000 0.000 0.252 23 I C 2.307 178.392 176.117 -0.052 0.000 1.142 23 I CA 0.735 62.030 61.300 -0.008 0.000 1.451 23 I CB -0.078 37.891 38.000 -0.052 0.000 1.093 23 I HN -0.001 nan 8.210 nan 0.000 0.430 24 K N 0.749 121.113 120.400 -0.060 0.000 2.147 24 K HA -0.197 4.123 4.320 -0.000 0.000 0.205 24 K C 2.012 178.615 176.600 0.005 0.000 1.049 24 K CA 1.188 57.446 56.287 -0.049 0.000 0.936 24 K CB -0.029 32.447 32.500 -0.039 0.000 0.722 24 K HN 0.043 nan 8.250 nan 0.000 0.446 25 K N 0.496 120.916 120.400 0.033 0.000 2.243 25 K HA -0.043 4.277 4.320 -0.000 0.000 0.201 25 K C 0.128 176.740 176.600 0.021 0.000 1.051 25 K CA 0.807 57.117 56.287 0.038 0.000 0.970 25 K CB 0.423 32.956 32.500 0.055 0.000 0.755 25 K HN -0.055 nan 8.250 nan 0.000 0.465 26 D N -0.615 119.788 120.400 0.004 0.000 2.621 26 D HA 0.126 4.766 4.640 -0.000 0.000 0.274 26 D C 0.362 176.641 176.300 -0.034 0.000 1.215 26 D CA -0.125 53.872 54.000 -0.006 0.000 0.810 26 D CB 0.315 41.093 40.800 -0.037 0.000 1.248 26 D HN -0.225 nan 8.370 nan 0.000 0.517 27 R N 0.727 121.200 120.500 -0.044 0.000 2.140 27 R HA -0.132 4.208 4.340 -0.000 0.000 0.250 27 R C 1.015 177.068 176.300 -0.412 0.000 1.150 27 R CA 1.709 57.675 56.100 -0.223 0.000 0.966 27 R CB -0.401 29.735 30.300 -0.273 0.000 0.869 27 R HN 0.301 nan 8.270 nan 0.000 0.445 28 F N 0.005 119.931 119.950 -0.040 0.000 2.639 28 F HA 0.290 4.817 4.527 -0.000 0.000 0.300 28 F C 1.616 177.357 175.800 -0.099 0.000 1.109 28 F CA -0.243 57.732 58.000 -0.042 0.000 1.335 28 F CB 0.032 39.012 39.000 -0.034 0.000 1.014 28 F HN -0.013 nan 8.300 nan 0.000 0.537 29 K N 0.242 120.581 120.400 -0.102 0.000 2.127 29 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 29 K C 0.451 176.736 176.600 -0.526 0.000 1.047 29 K CA 1.801 57.870 56.287 -0.363 0.000 0.927 29 K CB -0.146 31.998 32.500 -0.594 0.000 0.716 29 K HN 0.373 nan 8.250 nan 0.000 0.450 30 Y N -0.825 119.480 120.300 0.007 0.000 2.720 30 Y HA 0.116 4.666 4.550 -0.000 0.000 0.277 30 Y C 1.074 176.986 175.900 0.019 0.000 1.144 30 Y CA -0.470 57.632 58.100 0.002 0.000 1.221 30 Y CB 0.748 39.192 38.460 -0.027 0.000 1.163 30 Y HN -0.153 nan 8.280 nan 0.000 0.537 31 V N 0.516 120.508 119.914 0.129 0.000 2.982 31 V HA -0.211 3.909 4.120 -0.000 0.000 0.265 31 V C 1.621 177.782 176.094 0.112 0.000 1.122 31 V CA 1.953 64.345 62.300 0.152 0.000 1.143 31 V CB 0.035 31.998 31.823 0.233 0.000 0.726 31 V HN 0.425 nan 8.190 nan 0.000 0.507 32 E N -0.949 119.308 120.200 0.095 0.000 2.472 32 E HA 0.041 4.391 4.350 -0.000 0.000 0.196 32 E C 1.737 178.382 176.600 0.075 0.000 1.033 32 E CA 0.145 56.589 56.400 0.073 0.000 0.886 32 E CB 0.376 30.109 29.700 0.056 0.000 0.944 32 E HN 0.535 nan 8.360 nan 0.000 0.492 33 L N 0.543 121.825 121.223 0.099 0.000 1.994 33 L HA -0.001 4.338 4.340 -0.000 0.000 0.208 33 L C 1.896 178.794 176.870 0.046 0.000 1.071 33 L CA 2.121 57.006 54.840 0.076 0.000 0.745 33 L CB -0.682 41.428 42.059 0.086 0.000 0.892 33 L HN 0.110 nan 8.230 nan 0.000 0.431 34 G N -0.841 107.987 108.800 0.048 0.000 3.181 34 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.219 34 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.219 34 G C 0.734 175.660 174.900 0.043 0.000 1.182 34 G CA -0.366 44.756 45.100 0.038 0.000 0.791 34 G HN 0.317 nan 8.290 nan 0.000 0.537 35 R N 0.635 121.162 120.500 0.045 0.000 2.583 35 R HA -0.065 4.275 4.340 -0.000 0.000 0.274 35 R C 0.390 176.713 176.300 0.037 0.000 0.998 35 R CA 0.244 56.369 56.100 0.042 0.000 1.081 35 R CB 0.072 30.395 30.300 0.039 0.000 0.940 35 R HN 0.175 nan 8.270 nan 0.000 0.413 36 N N 1.249 119.971 118.700 0.037 0.000 2.708 36 N HA -0.177 4.563 4.740 -0.000 0.000 0.251 36 N C -1.360 174.174 175.510 0.040 0.000 1.123 36 N CA 1.367 54.439 53.050 0.036 0.000 0.739 36 N CB -0.449 38.057 38.487 0.032 0.000 1.113 36 N HN 0.541 nan 8.380 nan 0.000 0.561 37 K N 0.572 120.998 120.400 0.043 0.000 2.221 37 K HA 0.480 4.800 4.320 -0.000 0.000 0.258 37 K C 0.035 176.668 176.600 0.055 0.000 0.944 37 K CA -0.221 56.094 56.287 0.047 0.000 0.823 37 K CB 1.564 34.089 32.500 0.041 0.000 1.113 37 K HN -0.086 nan 8.250 nan 0.000 0.431 38 T N 2.712 117.304 114.554 0.064 0.000 2.779 38 T HA 0.370 4.720 4.350 -0.000 0.000 0.280 38 T C -0.495 174.255 174.700 0.085 0.000 0.987 38 T CA -0.663 61.480 62.100 0.073 0.000 0.966 38 T CB 0.896 69.811 68.868 0.078 0.000 0.933 38 T HN 0.324 nan 8.240 nan 0.000 0.442 39 L N 4.597 125.874 121.223 0.090 0.000 2.296 39 L HA 0.742 5.081 4.340 -0.000 0.000 0.286 39 L C -1.155 175.772 176.870 0.095 0.000 1.023 39 L CA -0.876 54.030 54.840 0.111 0.000 0.812 39 L CB 1.003 43.144 42.059 0.138 0.000 1.223 39 L HN 0.549 nan 8.230 nan 0.000 0.421 40 L N 6.095 127.364 121.223 0.075 0.000 2.280 40 L HA 0.586 4.926 4.340 -0.000 0.000 0.287 40 L C -0.851 176.007 176.870 -0.021 0.000 1.023 40 L CA -0.106 54.763 54.840 0.049 0.000 0.819 40 L CB 1.140 43.237 42.059 0.064 0.000 1.212 40 L HN 0.723 nan 8.230 nan 0.000 0.420 41 M N 6.666 126.262 119.600 -0.007 0.000 2.129 41 M HA 0.466 4.946 4.480 -0.000 0.000 0.348 41 M C -0.929 175.287 176.300 -0.139 0.000 1.116 41 M CA -0.111 55.130 55.300 -0.099 0.000 1.022 41 M CB 1.305 33.952 32.600 0.079 0.000 1.599 41 M HN 0.467 nan 8.290 nan 0.000 0.449 42 I N 3.398 123.749 120.570 -0.364 0.000 2.378 42 I HA 0.439 4.609 4.170 -0.000 0.000 0.291 42 I C -1.170 174.618 176.117 -0.550 0.000 0.992 42 I CA -0.415 60.680 61.300 -0.341 0.000 1.154 42 I CB 1.197 39.005 38.000 -0.319 0.000 1.315 42 I HN 0.503 nan 8.210 nan 0.000 0.448 43 F N 5.236 125.032 119.950 -0.257 0.000 2.467 43 F HA 0.405 4.932 4.527 -0.000 0.000 0.336 43 F C 0.295 175.913 175.800 -0.304 0.000 1.123 43 F CA -0.336 57.539 58.000 -0.207 0.000 0.964 43 F CB 1.256 40.161 39.000 -0.157 0.000 1.136 43 F HN 0.330 nan 8.300 nan 0.000 0.447 44 F N 0.880 120.807 119.950 -0.039 0.000 2.721 44 F HA 0.241 4.767 4.527 -0.000 0.000 0.301 44 F C 0.206 175.927 175.800 -0.131 0.000 1.096 44 F CA -0.235 57.729 58.000 -0.060 0.000 1.308 44 F CB 0.025 38.983 39.000 -0.070 0.000 1.086 44 F HN 0.342 nan 8.300 nan 0.000 0.587 45 N N -1.861 116.820 118.700 -0.031 0.000 2.455 45 N HA 0.340 5.080 4.740 -0.000 0.000 0.278 45 N C -0.752 174.650 175.510 -0.180 0.000 1.291 45 N CA -0.697 52.179 53.050 -0.290 0.000 0.780 45 N CB 1.217 39.084 38.487 -1.033 0.000 1.520 45 N HN -0.302 nan 8.380 nan 0.000 0.486 46 S N 0.080 115.654 115.700 -0.211 0.000 2.572 46 S HA 0.443 4.913 4.470 -0.000 0.000 0.267 46 S C -0.153 174.388 174.600 -0.100 0.000 1.361 46 S CA -0.146 57.971 58.200 -0.140 0.000 1.009 46 S CB 0.328 63.483 63.200 -0.075 0.000 0.888 46 S HN 0.545 nan 8.310 nan 0.000 0.553 47 S N 0.937 116.555 115.700 -0.136 0.000 2.602 47 S HA 0.290 4.760 4.470 -0.000 0.000 0.301 47 S C -0.367 174.158 174.600 -0.124 0.000 1.091 47 S CA -0.774 57.382 58.200 -0.072 0.000 0.895 47 S CB 0.459 63.645 63.200 -0.024 0.000 1.090 47 S HN 0.565 nan 8.310 nan 0.000 0.449 48 L N 4.331 125.541 121.223 -0.021 0.000 2.670 48 L HA 0.437 4.777 4.340 -0.000 0.000 0.177 48 L C 2.179 179.057 176.870 0.012 0.000 1.181 48 L CA 0.694 55.518 54.840 -0.026 0.000 0.856 48 L CB -0.779 41.278 42.059 -0.003 0.000 1.205 48 L HN 0.862 nan 8.230 nan 0.000 0.506 49 R N -0.286 120.249 120.500 0.057 0.000 2.082 49 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 49 R C 2.098 178.467 176.300 0.115 0.000 1.136 49 R CA 2.569 58.715 56.100 0.076 0.000 0.935 49 R CB -0.718 29.635 30.300 0.089 0.000 0.842 49 R HN 0.376 nan 8.270 nan 0.000 0.430 50 T N 0.521 115.192 114.554 0.195 0.000 2.684 50 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 50 T C 1.742 176.623 174.700 0.302 0.000 1.036 50 T CA 1.722 63.990 62.100 0.281 0.000 1.148 50 T CB -0.269 68.843 68.868 0.408 0.000 0.863 50 T HN 0.323 nan 8.240 nan 0.000 0.436 51 R N 0.239 120.887 120.500 0.247 0.000 2.094 51 R HA -0.121 4.219 4.340 -0.000 0.000 0.239 51 R C 2.156 178.507 176.300 0.085 0.000 1.137 51 R CA 1.488 57.656 56.100 0.112 0.000 0.943 51 R CB -0.439 29.680 30.300 -0.302 0.000 0.850 51 R HN 0.222 nan 8.270 nan 0.000 0.433 52 L N 0.775 122.024 121.223 0.042 0.000 2.023 52 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 52 L C 2.709 179.606 176.870 0.044 0.000 1.073 52 L CA 2.202 57.060 54.840 0.030 0.000 0.745 52 L CB -0.922 41.143 42.059 0.010 0.000 0.900 52 L HN 0.422 nan 8.230 nan 0.000 0.435 53 S N -2.232 113.496 115.700 0.046 0.000 2.399 53 S HA -0.179 4.291 4.470 -0.000 0.000 0.231 53 S C 1.846 176.461 174.600 0.025 0.000 1.022 53 S CA 1.624 59.836 58.200 0.020 0.000 0.983 53 S CB -0.953 62.249 63.200 0.004 0.000 0.803 53 S HN 0.473 nan 8.310 nan 0.000 0.480 54 T N 2.328 116.934 114.554 0.088 0.000 2.857 54 T HA -0.043 4.306 4.350 -0.000 0.000 0.266 54 T C 1.984 176.733 174.700 0.082 0.000 1.048 54 T CA 1.410 63.571 62.100 0.102 0.000 1.139 54 T CB -0.338 68.670 68.868 0.234 0.000 0.874 54 T HN 0.561 nan 8.240 nan 0.000 0.455 55 Q N 0.728 120.583 119.800 0.092 0.000 2.079 55 Q HA -0.078 4.262 4.340 -0.000 0.000 0.200 55 Q C 2.373 178.398 176.000 0.042 0.000 0.974 55 Q CA 1.162 57.009 55.803 0.074 0.000 0.840 55 Q CB -0.196 28.584 28.738 0.070 0.000 0.898 55 Q HN 0.256 nan 8.270 nan 0.000 0.430 56 K N 1.269 121.684 120.400 0.024 0.000 2.057 56 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 56 K C 1.853 178.428 176.600 -0.042 0.000 1.049 56 K CA 1.440 57.730 56.287 0.004 0.000 0.931 56 K CB -0.486 32.009 32.500 -0.008 0.000 0.714 56 K HN 0.184 nan 8.250 nan 0.000 0.440 57 A N 0.643 123.428 122.820 -0.058 0.000 1.865 57 A HA -0.081 4.238 4.320 -0.000 0.000 0.217 57 A C 2.419 179.954 177.584 -0.083 0.000 1.191 57 A CA 2.234 54.207 52.037 -0.107 0.000 0.623 57 A CB -1.258 17.667 19.000 -0.125 0.000 0.826 57 A HN 0.437 nan 8.150 nan 0.000 0.444 58 A N -0.461 122.341 122.820 -0.029 0.000 1.940 58 A HA -0.049 4.271 4.320 -0.000 0.000 0.219 58 A C 2.151 179.744 177.584 0.016 0.000 1.176 58 A CA 1.555 53.592 52.037 0.001 0.000 0.631 58 A CB -0.595 18.432 19.000 0.046 0.000 0.814 58 A HN 0.490 nan 8.150 nan 0.000 0.446 59 L N -0.335 120.905 121.223 0.029 0.000 2.156 59 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 59 L C 2.003 178.925 176.870 0.087 0.000 1.095 59 L CA 0.823 55.711 54.840 0.080 0.000 0.770 59 L CB -0.591 41.535 42.059 0.111 0.000 0.914 59 L HN 0.340 nan 8.230 nan 0.000 0.439 60 N N 0.403 119.055 118.700 -0.080 0.000 2.364 60 N HA -0.109 4.630 4.740 -0.000 0.000 0.183 60 N C 1.479 176.937 175.510 -0.086 0.000 1.022 60 N CA 1.171 54.029 53.050 -0.320 0.000 0.883 60 N CB -0.050 38.163 38.487 -0.457 0.000 0.965 60 N HN 0.370 nan 8.380 nan 0.000 0.438 61 L N -0.710 120.506 121.223 -0.012 0.000 2.700 61 L HA 0.279 4.619 4.340 -0.000 0.000 0.234 61 L C 1.080 177.992 176.870 0.069 0.000 1.156 61 L CA -0.138 54.725 54.840 0.038 0.000 0.946 61 L CB -0.012 42.049 42.059 0.004 0.000 1.216 61 L HN 0.066 nan 8.230 nan 0.000 0.493 62 G N 0.381 109.237 108.800 0.093 0.000 2.168 62 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.257 62 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.257 62 G C 0.316 175.256 174.900 0.066 0.000 0.997 62 G CA 0.264 45.418 45.100 0.090 0.000 0.708 62 G HN 0.298 nan 8.290 nan 0.000 0.520 63 M N -0.123 119.512 119.600 0.058 0.000 2.227 63 M HA 0.262 4.742 4.480 -0.000 0.000 0.316 63 M C 0.805 177.138 176.300 0.056 0.000 1.144 63 M CA -0.192 55.139 55.300 0.053 0.000 1.121 63 M CB 0.499 33.129 32.600 0.050 0.000 1.440 63 M HN 0.255 nan 8.290 nan 0.000 0.473 64 N N -0.301 118.431 118.700 0.055 0.000 2.524 64 N HA 0.463 5.203 4.740 -0.000 0.000 0.283 64 N C -1.480 174.066 175.510 0.060 0.000 1.142 64 N CA -0.638 52.444 53.050 0.053 0.000 0.984 64 N CB 1.434 39.951 38.487 0.049 0.000 1.155 64 N HN 0.219 nan 8.380 nan 0.000 0.467 65 V N 2.788 122.737 119.914 0.058 0.000 2.588 65 V HA 0.445 4.565 4.120 -0.000 0.000 0.304 65 V C -0.381 175.749 176.094 0.060 0.000 1.042 65 V CA -0.612 61.728 62.300 0.067 0.000 0.877 65 V CB 1.554 33.419 31.823 0.070 0.000 0.996 65 V HN 0.566 nan 8.190 nan 0.000 0.425 66 I N 4.734 125.345 120.570 0.067 0.000 2.439 66 I HA 0.421 4.591 4.170 -0.000 0.000 0.283 66 I C -0.713 175.445 176.117 0.068 0.000 1.023 66 I CA -0.738 60.597 61.300 0.058 0.000 1.100 66 I CB 2.066 40.102 38.000 0.059 0.000 1.238 66 I HN 0.278 nan 8.210 nan 0.000 0.445 67 V N 7.039 126.994 119.914 0.068 0.000 2.383 67 V HA 0.344 4.464 4.120 -0.000 0.000 0.275 67 V C -0.126 176.009 176.094 0.068 0.000 1.036 67 V CA -0.514 61.847 62.300 0.101 0.000 0.889 67 V CB 1.894 33.776 31.823 0.100 0.000 0.985 67 V HN 0.452 nan 8.190 nan 0.000 0.459 68 L N 4.728 125.997 121.223 0.077 0.000 2.319 68 L HA 0.590 4.930 4.340 -0.000 0.000 0.281 68 L C -0.823 176.057 176.870 0.017 0.000 1.005 68 L CA -0.136 54.717 54.840 0.022 0.000 0.828 68 L CB 1.771 43.832 42.059 0.002 0.000 1.227 68 L HN 0.567 nan 8.230 nan 0.000 0.415 69 D N 6.579 126.966 120.400 -0.022 0.000 2.479 69 D HA 0.318 4.958 4.640 -0.000 0.000 0.218 69 D C 0.770 176.999 176.300 -0.118 0.000 1.131 69 D CA -0.115 53.854 54.000 -0.050 0.000 0.916 69 D CB 0.961 41.717 40.800 -0.074 0.000 1.022 69 D HN 0.478 nan 8.370 nan 0.000 0.515 70 I N 2.029 122.476 120.570 -0.205 0.000 3.161 70 I HA -0.199 3.971 4.170 -0.000 0.000 0.284 70 I C 1.559 177.589 176.117 -0.144 0.000 1.252 70 I CA 0.102 61.271 61.300 -0.218 0.000 1.374 70 I CB 0.295 38.044 38.000 -0.418 0.000 1.359 70 I HN 0.435 nan 8.210 nan 0.000 0.606 71 N N 1.449 120.095 118.700 -0.090 0.000 1.712 71 N HA -0.262 4.478 4.740 -0.000 0.000 0.212 71 N C 1.198 176.661 175.510 -0.078 0.000 0.853 71 N CA 1.928 54.949 53.050 -0.048 0.000 4.255 71 N CB -0.804 37.669 38.487 -0.023 0.000 0.684 71 N HN 0.668 nan 8.380 nan 0.000 0.241 72 Q N 0.206 119.951 119.800 -0.091 0.000 1.965 72 Q HA 0.029 4.369 4.340 -0.000 0.000 0.200 72 Q C 2.183 178.102 176.000 -0.136 0.000 0.981 72 Q CA 2.049 57.793 55.803 -0.098 0.000 0.834 72 Q CB -0.337 28.346 28.738 -0.091 0.000 0.900 72 Q HN 0.606 nan 8.270 nan 0.000 0.426 73 G N -0.383 108.328 108.800 -0.150 0.000 2.595 73 G HA2 0.318 4.278 3.960 -0.000 0.000 0.213 73 G HA3 0.318 4.278 3.960 -0.000 0.000 0.213 73 G C 0.449 175.172 174.900 -0.296 0.000 1.141 73 G CA 0.530 45.514 45.100 -0.192 0.000 0.806 73 G HN 0.381 nan 8.290 nan 0.000 0.530 74 A N -0.436 122.224 122.820 -0.268 0.000 2.951 74 A HA 0.713 5.033 4.320 -0.000 0.000 0.239 74 A C -1.130 176.201 177.584 -0.422 0.000 1.623 74 A CA -0.831 50.991 52.037 -0.358 0.000 0.868 74 A CB 0.278 19.206 19.000 -0.120 0.000 1.712 74 A HN 0.260 nan 8.150 nan 0.000 0.558 75 W N 0.436 121.740 121.300 0.007 0.000 2.469 75 W HA 0.522 5.182 4.660 -0.000 0.000 0.320 75 W C -0.037 176.494 176.519 0.019 0.000 1.086 75 W CA -0.593 56.760 57.345 0.014 0.000 1.211 75 W CB 0.877 30.350 29.460 0.021 0.000 1.298 75 W HN 0.440 nan 8.180 nan 0.000 0.525 76 K N 2.982 123.536 120.400 0.258 0.000 2.511 76 K HA 0.078 4.398 4.320 -0.000 0.000 0.280 76 K C -0.312 176.383 176.600 0.158 0.000 1.008 76 K CA 0.039 56.426 56.287 0.166 0.000 1.050 76 K CB 0.299 32.877 32.500 0.132 0.000 0.889 76 K HN 0.338 nan 8.250 nan 0.000 0.484 77 L N 2.521 123.832 121.223 0.147 0.000 2.312 77 L HA 0.192 4.532 4.340 -0.000 0.000 0.281 77 L C 0.268 177.139 176.870 0.001 0.000 1.070 77 L CA -0.697 54.204 54.840 0.102 0.000 0.805 77 L CB 1.038 43.206 42.059 0.183 0.000 1.174 77 L HN 0.556 nan 8.230 nan 0.000 0.434 78 E N 1.073 121.188 120.200 -0.142 0.000 2.130 78 E HA 0.096 4.445 4.350 -0.000 0.000 0.284 78 E C 0.482 176.765 176.600 -0.528 0.000 1.018 78 E CA -0.117 56.116 56.400 -0.278 0.000 0.817 78 E CB 1.602 31.138 29.700 -0.275 0.000 1.078 78 E HN 0.563 nan 8.360 nan 0.000 0.396 79 T N 2.562 116.964 114.554 -0.254 0.000 2.894 79 T HA -0.014 4.336 4.350 -0.000 0.000 0.258 79 T C 0.317 174.971 174.700 -0.077 0.000 1.043 79 T CA 0.510 62.522 62.100 -0.147 0.000 1.141 79 T CB -0.111 68.744 68.868 -0.022 0.000 0.873 79 T HN 0.539 nan 8.240 nan 0.000 0.449 80 E N 1.772 121.938 120.200 -0.057 0.000 2.290 80 E HA 0.188 4.538 4.350 -0.000 0.000 0.277 80 E C 0.031 176.765 176.600 0.223 0.000 1.035 80 E CA -0.549 55.879 56.400 0.047 0.000 0.873 80 E CB 0.601 30.299 29.700 -0.003 0.000 1.029 80 E HN 0.311 nan 8.360 nan 0.000 0.419 81 R N 2.761 123.387 120.500 0.210 0.000 2.560 81 R HA 0.287 4.627 4.340 -0.000 0.000 0.270 81 R C 0.827 177.168 176.300 0.068 0.000 1.074 81 R CA 0.933 57.128 56.100 0.159 0.000 1.140 81 R CB 0.629 30.948 30.300 0.031 0.000 1.073 81 R HN 0.792 nan 8.270 nan 0.000 0.527 82 G N 1.285 110.092 108.800 0.012 0.000 2.267 82 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.257 82 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.257 82 G C 0.050 174.962 174.900 0.020 0.000 0.998 82 G CA 0.225 45.327 45.100 0.003 0.000 0.620 82 G HN 0.521 nan 8.290 nan 0.000 0.529 83 V N 1.823 121.767 119.914 0.051 0.000 3.096 83 V HA 0.343 4.463 4.120 -0.000 0.000 0.306 83 V C 1.326 177.443 176.094 0.039 0.000 1.088 83 V CA 0.095 62.420 62.300 0.043 0.000 1.129 83 V CB 1.370 33.223 31.823 0.050 0.000 1.014 83 V HN 0.317 nan 8.190 nan 0.000 0.486 84 I N 3.571 124.156 120.570 0.025 0.000 2.291 84 I HA 0.201 4.371 4.170 -0.000 0.000 0.292 84 I C 0.538 176.668 176.117 0.023 0.000 1.064 84 I CA 0.060 61.371 61.300 0.018 0.000 1.269 84 I CB 0.790 38.795 38.000 0.009 0.000 1.418 84 I HN 0.569 nan 8.210 nan 0.000 0.485 85 M N 6.282 125.900 119.600 0.030 0.000 3.705 85 M HA -0.009 4.471 4.480 -0.000 0.000 0.191 85 M C 0.045 176.350 176.300 0.008 0.000 1.570 85 M CA 0.217 55.534 55.300 0.027 0.000 1.714 85 M CB -0.692 31.933 32.600 0.041 0.000 1.148 85 M HN 0.460 nan 8.290 nan 0.000 0.547 86 D N -0.692 119.712 120.400 0.007 0.000 2.755 86 D HA 0.330 4.969 4.640 -0.000 0.000 0.257 86 D C 0.478 176.781 176.300 0.005 0.000 1.291 86 D CA -0.170 53.831 54.000 0.002 0.000 0.836 86 D CB 0.313 41.114 40.800 0.002 0.000 1.059 86 D HN 0.443 nan 8.370 nan 0.000 0.486 87 G N 0.121 108.926 108.800 0.008 0.000 3.255 87 G HA2 0.058 4.018 3.960 -0.000 0.000 0.161 87 G HA3 0.058 4.018 3.960 -0.000 0.000 0.161 87 G C 0.276 175.189 174.900 0.021 0.000 1.173 87 G CA -0.072 45.036 45.100 0.014 0.000 1.106 87 G HN 0.068 nan 8.290 nan 0.000 0.650 88 D N 0.267 120.683 120.400 0.027 0.000 2.149 88 D HA -0.043 4.597 4.640 -0.000 0.000 0.194 88 D C 0.541 176.872 176.300 0.053 0.000 1.001 88 D CA 1.092 55.116 54.000 0.040 0.000 0.849 88 D CB 0.054 40.876 40.800 0.037 0.000 0.939 88 D HN 0.090 nan 8.370 nan 0.000 0.449 89 K N -0.284 120.139 120.400 0.040 0.000 2.234 89 K HA 0.279 4.599 4.320 -0.000 0.000 0.277 89 K C -1.851 174.766 176.600 0.028 0.000 1.038 89 K CA -1.593 54.722 56.287 0.047 0.000 0.888 89 K CB 1.704 34.216 32.500 0.021 0.000 1.091 89 K HN -0.009 nan 8.250 nan 0.000 0.467 90 P HA -0.003 nan 4.420 nan 0.000 0.230 90 P C -0.595 176.643 177.300 -0.102 0.000 1.168 90 P CA 0.382 63.431 63.100 -0.085 0.000 0.793 90 P CB 0.583 32.175 31.700 -0.181 0.000 0.851 91 E N -1.175 119.027 120.200 0.002 0.000 2.369 91 E HA 0.251 4.601 4.350 -0.000 0.000 0.270 91 E C -1.149 175.491 176.600 0.068 0.000 0.909 91 E CA -0.846 55.573 56.400 0.032 0.000 0.775 91 E CB 1.220 30.969 29.700 0.082 0.000 1.270 91 E HN -0.064 nan 8.360 nan 0.000 0.445 92 H N 3.729 122.806 119.070 0.011 0.000 2.457 92 H HA 0.160 4.716 4.556 -0.000 0.000 0.335 92 H C 0.756 176.089 175.328 0.008 0.000 1.115 92 H CA -0.422 55.631 56.048 0.009 0.000 1.219 92 H CB 1.854 31.605 29.762 -0.018 0.000 1.471 92 H HN 0.598 nan 8.280 nan 0.000 0.491 93 L N 4.939 126.152 121.223 -0.017 0.000 2.129 93 L HA -0.186 4.153 4.340 -0.000 0.000 0.212 93 L C 1.934 178.864 176.870 0.101 0.000 1.087 93 L CA 1.473 56.349 54.840 0.061 0.000 0.757 93 L CB -0.557 41.503 42.059 0.001 0.000 0.896 93 L HN 0.724 nan 8.230 nan 0.000 0.434 94 L N -0.831 120.599 121.223 0.345 0.000 2.265 94 L HA -0.156 4.184 4.340 -0.000 0.000 0.215 94 L C 2.259 179.095 176.870 -0.057 0.000 1.117 94 L CA 0.910 55.752 54.840 0.004 0.000 0.782 94 L CB -0.489 41.456 42.059 -0.190 0.000 0.914 94 L HN 0.402 nan 8.230 nan 0.000 0.441 95 E N -0.437 119.771 120.200 0.014 0.000 2.206 95 E HA 0.064 4.414 4.350 -0.000 0.000 0.195 95 E C 2.287 178.889 176.600 0.002 0.000 0.935 95 E CA 0.924 57.321 56.400 -0.005 0.000 0.875 95 E CB -0.419 29.289 29.700 0.014 0.000 0.841 95 E HN 0.279 nan 8.360 nan 0.000 0.477 96 A N 2.614 125.455 122.820 0.034 0.000 1.884 96 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 96 A C 2.393 179.970 177.584 -0.012 0.000 1.197 96 A CA 1.729 53.795 52.037 0.049 0.000 0.637 96 A CB -0.990 18.066 19.000 0.093 0.000 0.827 96 A HN 0.176 nan 8.150 nan 0.000 0.450 97 I N -0.049 120.445 120.570 -0.128 0.000 2.091 97 I HA -0.222 3.948 4.170 -0.000 0.000 0.239 97 I C -0.391 175.654 176.117 -0.119 0.000 1.061 97 I CA 2.003 63.138 61.300 -0.274 0.000 1.317 97 I CB -1.528 36.153 38.000 -0.533 0.000 1.031 97 I HN 0.231 nan 8.210 nan 0.000 0.401 98 P HA -0.134 nan 4.420 nan 0.000 0.215 98 P C 2.000 179.245 177.300 -0.092 0.000 1.157 98 P CA 1.277 64.345 63.100 -0.053 0.000 0.868 98 P CB -0.010 31.669 31.700 -0.035 0.000 0.788 99 V N -0.626 119.237 119.914 -0.086 0.000 2.219 99 V HA -0.329 3.791 4.120 -0.000 0.000 0.248 99 V C 2.444 178.393 176.094 -0.242 0.000 1.053 99 V CA 2.308 64.523 62.300 -0.142 0.000 1.009 99 V CB -1.284 30.537 31.823 -0.003 0.000 0.636 99 V HN 0.089 nan 8.190 nan 0.000 0.445 100 M N 0.344 119.915 119.600 -0.048 0.000 2.108 100 M HA -0.180 4.300 4.480 -0.000 0.000 0.257 100 M C 2.171 178.443 176.300 -0.046 0.000 1.071 100 M CA 2.241 57.561 55.300 0.034 0.000 1.093 100 M CB -1.004 31.681 32.600 0.141 0.000 1.345 100 M HN 0.515 nan 8.290 nan 0.000 0.403 101 G N -1.001 107.763 108.800 -0.060 0.000 2.509 101 G HA2 -0.161 3.798 3.960 -0.000 0.000 0.218 101 G HA3 -0.161 3.798 3.960 -0.000 0.000 0.218 101 G C 1.377 176.197 174.900 -0.134 0.000 1.124 101 G CA 0.674 45.746 45.100 -0.046 0.000 0.776 101 G HN 0.490 nan 8.290 nan 0.000 0.547 102 C N -0.687 118.405 119.300 -0.348 0.000 2.446 102 C HA 0.095 4.555 4.460 -0.000 0.000 0.279 102 C C 1.662 176.455 174.990 -0.329 0.000 1.366 102 C CA 0.211 58.962 59.018 -0.445 0.000 1.763 102 C CB -0.958 26.326 27.740 -0.762 0.000 1.929 102 C HN 0.625 nan 8.230 nan 0.000 0.509 103 Y N -0.081 120.247 120.300 0.046 0.000 2.607 103 Y HA 0.315 4.865 4.550 -0.000 0.000 0.266 103 Y C 1.091 177.017 175.900 0.044 0.000 1.178 103 Y CA -0.871 57.255 58.100 0.042 0.000 1.226 103 Y CB -0.258 38.227 38.460 0.041 0.000 1.144 103 Y HN 0.465 nan 8.280 nan 0.000 0.528 104 C N -3.216 116.162 119.300 0.130 0.000 3.340 104 C HA 0.498 4.957 4.460 -0.000 0.000 0.333 104 C C 0.353 175.390 174.990 0.077 0.000 1.464 104 C CA -0.682 58.400 59.018 0.107 0.000 1.337 104 C CB 1.948 29.752 27.740 0.105 0.000 1.740 104 C HN 0.273 nan 8.230 nan 0.000 0.450 105 D N -0.184 120.262 120.400 0.077 0.000 2.470 105 D HA 0.330 4.969 4.640 -0.000 0.000 0.238 105 D C 0.094 176.441 176.300 0.078 0.000 1.054 105 D CA 0.938 54.978 54.000 0.067 0.000 0.896 105 D CB 0.863 41.699 40.800 0.061 0.000 1.118 105 D HN 0.572 nan 8.370 nan 0.000 0.497 106 I N 1.226 121.854 120.570 0.097 0.000 2.730 106 I HA 0.381 4.551 4.170 -0.000 0.000 0.298 106 I C -0.855 175.330 176.117 0.113 0.000 1.089 106 I CA -0.760 60.618 61.300 0.131 0.000 1.041 106 I CB 3.136 41.239 38.000 0.173 0.000 1.235 106 I HN -0.325 nan 8.210 nan 0.000 0.423 107 I N 2.958 123.572 120.570 0.072 0.000 2.545 107 I HA 0.564 4.734 4.170 -0.000 0.000 0.292 107 I C -0.019 175.827 176.117 -0.452 0.000 1.040 107 I CA -0.517 60.733 61.300 -0.083 0.000 1.068 107 I CB 2.280 40.274 38.000 -0.010 0.000 1.251 107 I HN 0.642 nan 8.210 nan 0.000 0.424 108 G N 4.923 113.281 108.800 -0.736 0.000 2.461 108 G HA2 0.694 4.654 3.960 -0.000 0.000 0.323 108 G HA3 0.694 4.654 3.960 -0.000 0.000 0.323 108 G C -1.254 173.146 174.900 -0.832 0.000 1.229 108 G CA -0.394 43.830 45.100 -1.459 0.000 0.941 108 G HN 0.329 nan 8.290 nan 0.000 0.477 109 V N 1.504 120.975 119.914 -0.739 0.000 2.709 109 V HA 0.624 4.744 4.120 -0.000 0.000 0.308 109 V C -0.204 175.625 176.094 -0.442 0.000 1.062 109 V CA -1.064 60.866 62.300 -0.618 0.000 0.901 109 V CB 2.077 33.441 31.823 -0.764 0.000 1.003 109 V HN 0.871 nan 8.190 nan 0.000 0.425 110 R N 2.151 122.423 120.500 -0.380 0.000 2.360 110 R HA 0.693 5.033 4.340 -0.000 0.000 0.318 110 R C -0.891 175.395 176.300 -0.023 0.000 0.950 110 R CA -0.082 55.897 56.100 -0.202 0.000 0.837 110 R CB 1.549 31.698 30.300 -0.250 0.000 1.165 110 R HN 0.740 nan 8.270 nan 0.000 0.458 111 S N 5.897 121.582 115.700 -0.025 0.000 2.496 111 S HA 0.357 4.827 4.470 -0.000 0.000 0.221 111 S C -0.798 173.855 174.600 0.088 0.000 1.260 111 S CA -0.679 57.477 58.200 -0.074 0.000 1.181 111 S CB 0.040 63.063 63.200 -0.294 0.000 1.136 111 S HN 0.454 nan 8.310 nan 0.000 0.467 112 F N 2.623 122.502 119.950 -0.118 0.000 2.586 112 F HA 0.340 4.867 4.527 -0.000 0.000 0.344 112 F C 1.370 177.070 175.800 -0.167 0.000 1.188 112 F CA -0.969 56.940 58.000 -0.151 0.000 1.359 112 F CB 0.035 38.954 39.000 -0.135 0.000 1.129 112 F HN 0.612 nan 8.300 nan 0.000 0.609 113 A N 3.877 126.656 122.820 -0.069 0.000 2.520 113 A HA 0.178 4.498 4.320 -0.000 0.000 0.245 113 A C 1.249 178.757 177.584 -0.128 0.000 1.072 113 A CA -0.334 51.640 52.037 -0.104 0.000 0.761 113 A CB 0.083 18.967 19.000 -0.194 0.000 1.004 113 A HN 0.826 nan 8.150 nan 0.000 0.499 114 R N 1.699 122.250 120.500 0.085 0.000 2.276 114 R HA 0.155 4.495 4.340 -0.000 0.000 0.196 114 R C -0.189 176.265 176.300 0.256 0.000 0.961 114 R CA 0.445 56.625 56.100 0.134 0.000 1.024 114 R CB -0.198 30.227 30.300 0.208 0.000 0.940 114 R HN 0.875 nan 8.270 nan 0.000 0.480 115 F N 0.087 120.189 119.950 0.253 0.000 3.048 115 F HA -0.360 4.167 4.527 0.000 0.000 0.287 115 F C 1.065 177.031 175.800 0.276 0.000 0.796 115 F CA 0.235 58.374 58.000 0.231 0.000 1.111 115 F CB -0.878 38.119 39.000 -0.005 0.000 1.320 115 F HN 0.255 nan 8.300 nan 0.000 0.430 116 E N 0.256 120.713 120.200 0.429 0.000 2.060 116 E HA -0.058 4.292 4.350 -0.000 0.000 0.189 116 E C 1.034 177.790 176.600 0.259 0.000 0.974 116 E CA 0.769 57.326 56.400 0.262 0.000 0.808 116 E CB 0.041 29.828 29.700 0.144 0.000 0.768 116 E HN 0.233 nan 8.360 nan 0.000 0.453 117 N N 0.195 119.084 118.700 0.314 0.000 2.549 117 N HA 0.056 4.796 4.740 -0.000 0.000 0.281 117 N C 0.108 175.754 175.510 0.226 0.000 1.084 117 N CA -0.107 53.079 53.050 0.226 0.000 0.862 117 N CB 1.178 39.761 38.487 0.160 0.000 1.333 117 N HN -0.048 nan 8.380 nan 0.000 0.523 118 R N 2.353 122.800 120.500 -0.088 0.000 2.119 118 R HA -0.190 4.150 4.340 -0.000 0.000 0.246 118 R C 1.263 177.524 176.300 -0.065 0.000 1.146 118 R CA 1.753 57.502 56.100 -0.585 0.000 0.962 118 R CB 0.125 29.741 30.300 -1.139 0.000 0.863 118 R HN 0.714 nan 8.270 nan 0.000 0.442 119 E N -0.886 119.313 120.200 -0.001 0.000 2.072 119 E HA -0.229 4.121 4.350 -0.000 0.000 0.191 119 E C 1.815 178.520 176.600 0.174 0.000 0.985 119 E CA 1.105 57.555 56.400 0.084 0.000 0.801 119 E CB -0.246 29.488 29.700 0.056 0.000 0.750 119 E HN 0.401 nan 8.360 nan 0.000 0.452 120 Y N 1.876 122.228 120.300 0.086 0.000 2.181 120 Y HA -0.237 4.312 4.550 -0.000 0.000 0.288 120 Y C 1.758 177.731 175.900 0.122 0.000 1.146 120 Y CA 2.035 60.192 58.100 0.095 0.000 1.164 120 Y CB -0.102 38.412 38.460 0.090 0.000 0.982 120 Y HN 0.075 nan 8.280 nan 0.000 0.515 121 D N -0.909 119.606 120.400 0.190 0.000 2.085 121 D HA -0.195 4.445 4.640 -0.000 0.000 0.199 121 D C 1.950 178.267 176.300 0.028 0.000 0.981 121 D CA 1.637 55.707 54.000 0.116 0.000 0.834 121 D CB -0.819 40.222 40.800 0.403 0.000 0.992 121 D HN 0.382 nan 8.370 nan 0.000 0.457 122 Y N 1.162 121.513 120.300 0.086 0.000 2.569 122 Y HA -0.040 4.510 4.550 0.000 0.000 0.293 122 Y C 1.791 177.711 175.900 0.034 0.000 1.144 122 Y CA 0.625 58.782 58.100 0.095 0.000 1.321 122 Y CB -0.188 38.347 38.460 0.126 0.000 0.982 122 Y HN -0.021 nan 8.280 nan 0.000 0.558 123 N N 0.326 119.073 118.700 0.079 0.000 2.398 123 N HA -0.065 4.675 4.740 -0.000 0.000 0.188 123 N C -0.212 175.264 175.510 -0.057 0.000 1.122 123 N CA 0.437 53.498 53.050 0.018 0.000 0.866 123 N CB -0.028 38.470 38.487 0.018 0.000 0.970 123 N HN 0.207 nan 8.380 nan 0.000 0.462 124 E N 0.166 120.298 120.200 -0.113 0.000 2.183 124 E HA -0.162 4.188 4.350 -0.000 0.000 0.196 124 E C 1.007 177.509 176.600 -0.163 0.000 1.364 124 E CA 0.082 56.393 56.400 -0.148 0.000 0.700 124 E CB -1.651 27.999 29.700 -0.083 0.000 1.106 124 E HN 0.105 nan 8.360 nan 0.000 0.347 125 V N -0.180 119.551 119.914 -0.305 0.000 2.295 125 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 125 V C 2.394 178.419 176.094 -0.116 0.000 1.049 125 V CA 2.233 64.391 62.300 -0.236 0.000 1.024 125 V CB -0.326 31.256 31.823 -0.403 0.000 0.648 125 V HN 0.405 nan 8.190 nan 0.000 0.447 126 I N -0.343 120.129 120.570 -0.165 0.000 2.110 126 I HA -0.209 3.961 4.170 -0.000 0.000 0.236 126 I C 2.401 178.607 176.117 0.148 0.000 1.068 126 I CA 1.768 63.068 61.300 -0.000 0.000 1.333 126 I CB -0.447 37.492 38.000 -0.101 0.000 1.054 126 I HN 0.286 nan 8.210 nan 0.000 0.402 127 I N 1.294 121.886 120.570 0.037 0.000 2.399 127 I HA -0.315 3.855 4.170 -0.000 0.000 0.254 127 I C 2.023 178.213 176.117 0.122 0.000 1.146 127 I CA 1.766 63.101 61.300 0.058 0.000 1.412 127 I CB -0.672 37.302 38.000 -0.042 0.000 1.076 127 I HN 0.247 nan 8.210 nan 0.000 0.432 128 N N 0.096 118.843 118.700 0.078 0.000 2.250 128 N HA -0.096 4.644 4.740 -0.000 0.000 0.181 128 N C 1.737 177.318 175.510 0.117 0.000 1.017 128 N CA 0.996 54.090 53.050 0.073 0.000 0.866 128 N CB -0.089 38.415 38.487 0.029 0.000 0.985 128 N HN 0.590 nan 8.380 nan 0.000 0.429 129 Q N -0.719 119.168 119.800 0.145 0.000 2.224 129 Q HA -0.023 4.316 4.340 -0.000 0.000 0.203 129 Q C 1.422 177.505 176.000 0.138 0.000 0.970 129 Q CA 0.819 56.727 55.803 0.175 0.000 0.865 129 Q CB -0.062 28.726 28.738 0.083 0.000 0.922 129 Q HN 0.311 nan 8.270 nan 0.000 0.445 130 F N 0.358 120.359 119.950 0.085 0.000 2.206 130 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 130 F C 1.985 177.811 175.800 0.043 0.000 1.090 130 F CA 0.919 58.959 58.000 0.068 0.000 1.323 130 F CB -0.006 39.013 39.000 0.032 0.000 1.028 130 F HN 0.007 nan 8.300 nan 0.000 0.492 131 I N -0.773 119.919 120.570 0.203 0.000 2.394 131 I HA -0.251 3.919 4.170 -0.000 0.000 0.251 131 I C 2.112 178.238 176.117 0.016 0.000 1.136 131 I CA 1.034 62.394 61.300 0.101 0.000 1.425 131 I CB -0.287 37.757 38.000 0.074 0.000 1.079 131 I HN 0.112 nan 8.210 nan 0.000 0.425 132 Q N -0.174 119.608 119.800 -0.029 0.000 2.163 132 Q HA -0.091 4.249 4.340 -0.000 0.000 0.198 132 Q C 1.288 176.986 176.000 -0.504 0.000 0.954 132 Q CA 1.501 57.145 55.803 -0.264 0.000 0.851 132 Q CB 0.093 28.641 28.738 -0.316 0.000 0.928 132 Q HN 0.593 nan 8.270 nan 0.000 0.459 133 H N -2.331 116.718 119.070 -0.033 0.000 3.058 133 H HA 0.242 4.798 4.556 -0.000 0.000 0.266 133 H C 1.549 176.838 175.328 -0.065 0.000 1.135 133 H CA 0.588 56.601 56.048 -0.057 0.000 1.174 133 H CB 0.587 30.299 29.762 -0.084 0.000 1.581 133 H HN 0.181 nan 8.280 nan 0.000 0.553 134 S N -0.120 115.605 115.700 0.041 0.000 2.387 134 S HA 0.028 4.498 4.470 -0.000 0.000 0.226 134 S C 2.050 176.665 174.600 0.025 0.000 1.026 134 S CA 0.714 58.938 58.200 0.040 0.000 0.972 134 S CB -0.334 62.943 63.200 0.128 0.000 0.814 134 S HN 0.575 nan 8.310 nan 0.000 0.477 135 G N 1.330 110.140 108.800 0.018 0.000 2.137 135 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.237 135 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.237 135 G C -0.018 174.896 174.900 0.023 0.000 1.002 135 G CA 0.131 45.235 45.100 0.007 0.000 0.702 135 G HN 0.592 nan 8.290 nan 0.000 0.515 136 R N -0.898 119.629 120.500 0.045 0.000 2.774 136 R HA 0.513 4.853 4.340 -0.000 0.000 0.272 136 R C -3.009 173.337 176.300 0.078 0.000 1.000 136 R CA -2.140 53.996 56.100 0.059 0.000 0.906 136 R CB 0.794 31.135 30.300 0.069 0.000 1.227 136 R HN -0.004 nan 8.270 nan 0.000 0.468 137 P HA 0.138 nan 4.420 nan 0.000 0.267 137 P C -0.613 176.770 177.300 0.138 0.000 1.205 137 P CA -0.109 63.057 63.100 0.111 0.000 0.765 137 P CB 0.638 32.405 31.700 0.112 0.000 0.828 138 V N 4.712 124.713 119.914 0.145 0.000 2.715 138 V HA 0.667 4.787 4.120 -0.000 0.000 0.310 138 V C -0.317 175.905 176.094 0.214 0.000 1.054 138 V CA -0.423 61.943 62.300 0.110 0.000 0.928 138 V CB 1.353 33.227 31.823 0.086 0.000 1.007 138 V HN 0.454 nan 8.190 nan 0.000 0.437 139 F N 1.342 121.345 119.950 0.089 0.000 2.578 139 F HA 0.781 5.308 4.527 -0.000 0.000 0.311 139 F C -0.222 175.641 175.800 0.105 0.000 1.094 139 F CA -1.018 57.083 58.000 0.168 0.000 0.923 139 F CB 1.682 40.812 39.000 0.217 0.000 1.230 139 F HN 0.389 nan 8.300 nan 0.000 0.450 140 S N 3.619 119.526 115.700 0.346 0.000 2.545 140 S HA 0.429 4.899 4.470 -0.000 0.000 0.275 140 S C 0.162 174.942 174.600 0.301 0.000 1.299 140 S CA -0.622 57.674 58.200 0.160 0.000 1.048 140 S CB 0.444 63.707 63.200 0.105 0.000 0.938 140 S HN 0.811 nan 8.310 nan 0.000 0.496 141 M N 3.123 122.770 119.600 0.079 0.000 2.576 141 M HA 0.350 4.830 4.480 -0.000 0.000 0.322 141 M C -0.256 176.052 176.300 0.013 0.000 1.184 141 M CA 0.103 55.490 55.300 0.145 0.000 0.967 141 M CB -0.339 32.214 32.600 -0.080 0.000 1.372 141 M HN 0.909 nan 8.290 nan 0.000 0.509 142 E N 0.498 120.665 120.200 -0.054 0.000 7.512 142 E HA 0.049 4.399 4.350 -0.000 0.000 0.210 142 E C -1.634 174.908 176.600 -0.097 0.000 0.876 142 E CA -0.080 56.150 56.400 -0.283 0.000 1.670 142 E CB -0.234 29.086 29.700 -0.633 0.000 0.895 142 E HN 0.413 nan 8.360 nan 0.000 0.262 143 A N 3.179 125.941 122.820 -0.097 0.000 3.068 143 A HA 0.917 5.237 4.320 -0.000 0.000 0.229 143 A C 1.211 178.723 177.584 -0.122 0.000 1.561 143 A CA 0.328 52.311 52.037 -0.091 0.000 0.876 143 A CB 0.077 19.024 19.000 -0.088 0.000 1.700 143 A HN 1.056 nan 8.150 nan 0.000 0.535 144 A N -1.607 121.129 122.820 -0.139 0.000 1.968 144 A HA 0.111 4.431 4.320 -0.000 0.000 0.217 144 A C 1.857 179.290 177.584 -0.252 0.000 1.169 144 A CA 2.484 54.422 52.037 -0.166 0.000 0.638 144 A CB -0.807 18.108 19.000 -0.142 0.000 0.812 144 A HN 1.393 nan 8.150 nan 0.000 0.446 145 T N -4.661 109.726 114.554 -0.278 0.000 3.004 145 T HA 0.426 4.776 4.350 -0.000 0.000 0.266 145 T C 0.637 175.138 174.700 -0.332 0.000 0.986 145 T CA -0.404 61.479 62.100 -0.362 0.000 0.902 145 T CB 0.233 68.857 68.868 -0.407 0.000 1.118 145 T HN 0.328 nan 8.240 nan 0.000 0.522 146 R N -0.295 120.088 120.500 -0.195 0.000 2.855 146 R HA 0.556 4.896 4.340 -0.000 0.000 0.266 146 R C -1.637 174.659 176.300 -0.007 0.000 1.034 146 R CA -0.839 55.183 56.100 -0.129 0.000 0.944 146 R CB 1.226 31.499 30.300 -0.044 0.000 1.219 146 R HN 0.155 nan 8.270 nan 0.000 0.474 147 H N 1.771 120.791 119.070 -0.084 0.000 2.927 147 H HA 0.166 4.722 4.556 -0.000 0.000 0.213 147 H C -2.211 173.093 175.328 -0.039 0.000 1.363 147 H CA -2.090 53.934 56.048 -0.041 0.000 1.369 147 H CB 0.609 30.338 29.762 -0.055 0.000 2.040 147 H HN 0.320 nan 8.280 nan 0.000 0.544 148 P HA -0.195 nan 4.420 nan 0.000 0.215 148 P C 1.715 179.048 177.300 0.055 0.000 1.157 148 P CA 0.950 64.049 63.100 -0.002 0.000 0.874 148 P CB 0.781 32.284 31.700 -0.328 0.000 0.790 149 L N -0.867 120.538 121.223 0.304 0.000 2.042 149 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 149 L C 3.084 179.848 176.870 -0.177 0.000 1.076 149 L CA 1.696 56.648 54.840 0.188 0.000 0.749 149 L CB -0.964 41.222 42.059 0.212 0.000 0.893 149 L HN 0.051 nan 8.230 nan 0.000 0.432 150 Q N -0.104 119.401 119.800 -0.491 0.000 2.046 150 Q HA -0.141 4.199 4.340 -0.000 0.000 0.200 150 Q C 2.268 178.029 176.000 -0.399 0.000 0.975 150 Q CA 2.269 57.750 55.803 -0.536 0.000 0.836 150 Q CB -0.191 28.004 28.738 -0.904 0.000 0.896 150 Q HN 0.352 nan 8.270 nan 0.000 0.428 151 S N 0.416 115.803 115.700 -0.521 0.000 2.356 151 S HA -0.117 4.353 4.470 -0.000 0.000 0.223 151 S C 1.511 175.587 174.600 -0.874 0.000 1.032 151 S CA 1.080 58.853 58.200 -0.712 0.000 1.005 151 S CB -0.650 61.848 63.200 -1.169 0.000 0.867 151 S HN 0.492 nan 8.310 nan 0.000 0.449 152 F N 2.953 122.094 119.950 -1.347 0.000 2.120 152 F HA -0.159 4.367 4.527 -0.000 0.000 0.300 152 F C 2.429 177.950 175.800 -0.465 0.000 1.095 152 F CA 0.887 58.280 58.000 -1.012 0.000 1.249 152 F CB -1.284 37.388 39.000 -0.546 0.000 0.995 152 F HN 0.191 nan 8.300 nan 0.000 0.480 153 A N 0.031 122.688 122.820 -0.272 0.000 1.898 153 A HA -0.173 4.147 4.320 -0.000 0.000 0.216 153 A C 2.029 179.512 177.584 -0.170 0.000 1.181 153 A CA 1.697 53.567 52.037 -0.279 0.000 0.620 153 A CB -0.912 17.938 19.000 -0.250 0.000 0.819 153 A HN 0.411 nan 8.150 nan 0.000 0.442 154 D N -0.343 119.960 120.400 -0.161 0.000 2.144 154 D HA -0.138 4.502 4.640 -0.000 0.000 0.199 154 D C 1.853 178.126 176.300 -0.045 0.000 0.984 154 D CA 1.360 55.305 54.000 -0.092 0.000 0.834 154 D CB -0.299 40.431 40.800 -0.116 0.000 0.955 154 D HN 0.388 nan 8.370 nan 0.000 0.465 155 L N 1.097 122.295 121.223 -0.042 0.000 1.988 155 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 155 L C 2.282 179.217 176.870 0.108 0.000 1.071 155 L CA 1.346 56.222 54.840 0.061 0.000 0.744 155 L CB -0.614 41.539 42.059 0.158 0.000 0.893 155 L HN -0.063 nan 8.230 nan 0.000 0.433 156 I N -0.550 120.060 120.570 0.067 0.000 2.145 156 I HA -0.395 3.775 4.170 -0.000 0.000 0.244 156 I C 2.579 178.749 176.117 0.087 0.000 1.075 156 I CA 2.129 63.426 61.300 -0.004 0.000 1.332 156 I CB -0.897 36.934 38.000 -0.281 0.000 1.033 156 I HN 0.535 nan 8.210 nan 0.000 0.410 157 T N 0.533 115.114 114.554 0.047 0.000 2.821 157 T HA -0.113 4.236 4.350 -0.000 0.000 0.267 157 T C 1.858 176.684 174.700 0.210 0.000 1.046 157 T CA 1.271 63.454 62.100 0.138 0.000 1.139 157 T CB -0.285 68.605 68.868 0.037 0.000 0.871 157 T HN 0.261 nan 8.240 nan 0.000 0.454 158 I N 0.634 121.239 120.570 0.057 0.000 2.202 158 I HA -0.076 4.094 4.170 -0.000 0.000 0.242 158 I C 2.944 179.073 176.117 0.020 0.000 1.091 158 I CA 1.241 62.436 61.300 -0.174 0.000 1.368 158 I CB -0.365 37.362 38.000 -0.455 0.000 1.058 158 I HN 0.240 nan 8.210 nan 0.000 0.410 159 E N 0.622 120.920 120.200 0.163 0.000 2.160 159 E HA -0.294 4.056 4.350 -0.000 0.000 0.195 159 E C 1.951 178.684 176.600 0.222 0.000 0.991 159 E CA 1.300 57.836 56.400 0.227 0.000 0.810 159 E CB -0.186 29.721 29.700 0.344 0.000 0.742 159 E HN 0.549 nan 8.360 nan 0.000 0.466 160 E N -0.896 119.502 120.200 0.330 0.000 2.107 160 E HA -0.157 4.193 4.350 -0.000 0.000 0.191 160 E C 1.167 177.807 176.600 0.066 0.000 0.982 160 E CA 0.777 57.330 56.400 0.255 0.000 0.809 160 E CB 0.084 30.017 29.700 0.388 0.000 0.756 160 E HN 0.249 nan 8.360 nan 0.000 0.459 161 Y N 0.777 121.169 120.300 0.153 0.000 2.462 161 Y HA 0.129 4.679 4.550 -0.000 0.000 0.253 161 Y C 0.269 176.433 175.900 0.440 0.000 1.095 161 Y CA -0.087 58.114 58.100 0.169 0.000 1.283 161 Y CB 0.272 38.611 38.460 -0.202 0.000 1.138 161 Y HN -0.108 nan 8.280 nan 0.000 0.522 162 K N 0.631 121.400 120.400 0.615 0.000 2.524 162 K HA -0.054 4.266 4.320 -0.000 0.000 0.279 162 K C 0.330 177.113 176.600 0.305 0.000 0.993 162 K CA 0.216 56.836 56.287 0.554 0.000 1.030 162 K CB 0.723 33.353 32.500 0.217 0.000 0.891 162 K HN -0.146 nan 8.250 nan 0.000 0.488 163 K N 0.799 121.349 120.400 0.250 0.000 2.379 163 K HA 0.048 4.368 4.320 -0.000 0.000 0.194 163 K C -0.104 176.545 176.600 0.082 0.000 1.031 163 K CA 0.654 57.017 56.287 0.127 0.000 1.037 163 K CB 0.579 33.121 32.500 0.069 0.000 0.824 163 K HN 0.953 nan 8.250 nan 0.000 0.516 164 T N -4.609 109.997 114.554 0.087 0.000 2.887 164 T HA 0.626 4.976 4.350 -0.000 0.000 0.292 164 T C 0.972 175.699 174.700 0.044 0.000 1.087 164 T CA -0.490 61.643 62.100 0.055 0.000 1.009 164 T CB 1.767 70.664 68.868 0.048 0.000 1.203 164 T HN -0.145 nan 8.240 nan 0.000 0.518 165 A N 0.646 123.491 122.820 0.042 0.000 1.930 165 A HA 0.142 4.462 4.320 -0.000 0.000 0.217 165 A C 1.237 178.861 177.584 0.067 0.000 1.175 165 A CA 0.741 52.810 52.037 0.053 0.000 0.627 165 A CB -0.379 18.652 19.000 0.053 0.000 0.815 165 A HN 0.747 nan 8.150 nan 0.000 0.443 166 R N 0.084 120.617 120.500 0.055 0.000 2.585 166 R HA 0.281 4.621 4.340 -0.000 0.000 0.278 166 R C -2.901 173.413 176.300 0.024 0.000 1.663 166 R CA -1.584 54.566 56.100 0.083 0.000 1.592 166 R CB 1.334 31.705 30.300 0.119 0.000 1.200 166 R HN 0.313 nan 8.270 nan 0.000 0.611 167 P HA 0.000 nan 4.420 nan 0.000 0.272 167 P C -0.889 176.438 177.300 0.044 0.000 1.240 167 P CA -0.377 62.714 63.100 -0.015 0.000 0.791 167 P CB 1.039 32.740 31.700 0.001 0.000 0.978 168 K N 1.071 121.544 120.400 0.121 0.000 2.264 168 K HA 0.335 4.655 4.320 -0.000 0.000 0.277 168 K C -1.108 175.622 176.600 0.217 0.000 1.067 168 K CA -0.600 55.778 56.287 0.152 0.000 0.900 168 K CB 0.293 32.862 32.500 0.116 0.000 1.124 168 K HN 0.164 nan 8.250 nan 0.000 0.469 169 V N 5.499 125.577 119.914 0.273 0.000 2.311 169 V HA 0.198 4.318 4.120 -0.000 0.000 0.275 169 V C -0.357 175.991 176.094 0.424 0.000 1.022 169 V CA -0.912 61.608 62.300 0.367 0.000 0.830 169 V CB 1.364 33.409 31.823 0.369 0.000 1.012 169 V HN 0.476 nan 8.190 nan 0.000 0.452 170 V N 6.621 126.711 119.914 0.293 0.000 2.333 170 V HA 0.351 4.471 4.120 -0.000 0.000 0.274 170 V C 0.217 176.505 176.094 0.324 0.000 1.028 170 V CA -0.274 62.158 62.300 0.220 0.000 0.851 170 V CB 1.386 33.215 31.823 0.011 0.000 1.000 170 V HN 0.921 nan 8.190 nan 0.000 0.456 171 M N 5.135 125.027 119.600 0.486 0.000 2.146 171 M HA 0.343 4.823 4.480 -0.000 0.000 0.352 171 M C -0.045 176.558 176.300 0.504 0.000 1.343 171 M CA 0.456 56.101 55.300 0.575 0.000 1.115 171 M CB 0.806 33.897 32.600 0.819 0.000 1.657 171 M HN 0.694 nan 8.290 nan 0.000 0.471 172 T N 5.008 119.856 114.554 0.491 0.000 2.829 172 T HA 0.375 4.725 4.350 -0.000 0.000 0.280 172 T C -1.239 173.771 174.700 0.517 0.000 0.999 172 T CA -0.524 61.937 62.100 0.602 0.000 0.983 172 T CB 0.663 69.989 68.868 0.763 0.000 0.968 172 T HN 0.789 nan 8.240 nan 0.000 0.446 173 W N 4.369 125.787 121.300 0.198 0.000 2.129 173 W HA 0.606 5.266 4.660 0.000 0.000 0.349 173 W C -0.563 175.896 176.519 -0.099 0.000 1.279 173 W CA 0.106 57.248 57.345 -0.338 0.000 1.306 173 W CB 0.452 29.295 29.460 -1.028 0.000 1.140 173 W HN 0.851 nan 8.180 nan 0.000 0.613 174 A N 4.910 127.103 122.820 -1.046 0.000 2.594 174 A HA 0.555 4.875 4.320 -0.000 0.000 0.295 174 A C -2.795 173.816 177.584 -1.622 0.000 1.071 174 A CA -1.547 50.015 52.037 -0.793 0.000 0.685 174 A CB 1.378 20.228 19.000 -0.250 0.000 1.285 174 A HN 0.437 nan 8.150 nan 0.000 0.405 175 P HA 0.235 nan 4.420 nan 0.000 0.271 175 P C -1.105 175.996 177.300 -0.331 0.000 1.216 175 P CA 0.569 63.308 63.100 -0.600 0.000 0.776 175 P CB 0.631 32.257 31.700 -0.123 0.000 0.881 176 H N 4.101 122.991 119.070 -0.301 0.000 2.974 176 H HA 0.246 4.802 4.556 -0.000 0.000 0.366 176 H C -1.940 173.358 175.328 -0.049 0.000 1.155 176 H CA -1.806 54.145 56.048 -0.161 0.000 1.186 176 H CB 2.578 32.233 29.762 -0.178 0.000 1.799 176 H HN 0.182 nan 8.280 nan 0.000 0.541 177 P HA 0.002 nan 4.420 nan 0.000 0.223 177 P C -0.107 177.325 177.300 0.220 0.000 1.151 177 P CA 0.717 63.875 63.100 0.097 0.000 0.787 177 P CB 1.140 32.830 31.700 -0.017 0.000 0.788 178 R N 0.302 121.068 120.500 0.444 0.000 2.854 178 R HA 0.482 4.822 4.340 -0.000 0.000 0.271 178 R C -2.538 173.845 176.300 0.139 0.000 0.996 178 R CA -2.475 53.775 56.100 0.249 0.000 0.961 178 R CB 1.062 31.499 30.300 0.228 0.000 1.182 178 R HN -0.042 nan 8.270 nan 0.000 0.479 179 P HA 0.156 nan 4.420 nan 0.000 0.280 179 P C -0.818 176.608 177.300 0.211 0.000 1.300 179 P CA 0.093 63.315 63.100 0.204 0.000 0.785 179 P CB 0.622 32.474 31.700 0.254 0.000 0.874 180 L N 6.109 127.411 121.223 0.131 0.000 2.352 180 L HA 0.528 4.868 4.340 -0.000 0.000 0.269 180 L C -2.080 174.888 176.870 0.163 0.000 1.034 180 L CA -2.854 51.993 54.840 0.013 0.000 0.806 180 L CB 1.292 43.251 42.059 -0.166 0.000 1.244 180 L HN 0.124 nan 8.230 nan 0.000 0.447 181 P HA 0.006 nan 4.420 nan 0.000 0.272 181 P C -0.681 176.692 177.300 0.121 0.000 1.254 181 P CA -0.325 62.711 63.100 -0.106 0.000 0.795 181 P CB 0.341 31.795 31.700 -0.410 0.000 1.022 182 Q N -0.327 119.567 119.800 0.156 0.000 2.175 182 Q HA 0.284 4.624 4.340 -0.000 0.000 0.225 182 Q C 0.992 176.903 176.000 -0.147 0.000 0.837 182 Q CA -0.111 55.723 55.803 0.052 0.000 1.032 182 Q CB -0.141 28.630 28.738 0.056 0.000 1.137 182 Q HN 0.351 nan 8.270 nan 0.000 0.483 183 A N 1.030 123.748 122.820 -0.170 0.000 1.898 183 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 183 A C 2.136 179.615 177.584 -0.176 0.000 1.181 183 A CA 1.408 53.301 52.037 -0.240 0.000 0.620 183 A CB -0.509 18.336 19.000 -0.258 0.000 0.819 183 A HN 0.206 nan 8.150 nan 0.000 0.442 184 V N 0.393 120.246 119.914 -0.101 0.000 2.307 184 V HA -0.134 3.986 4.120 -0.000 0.000 0.245 184 V C -0.156 175.946 176.094 0.013 0.000 1.045 184 V CA 2.403 64.703 62.300 -0.000 0.000 1.024 184 V CB -1.383 30.439 31.823 -0.002 0.000 0.651 184 V HN 0.369 nan 8.190 nan 0.000 0.449 185 P HA -0.090 nan 4.420 nan 0.000 0.215 185 P C 1.306 178.516 177.300 -0.149 0.000 1.157 185 P CA 1.330 64.360 63.100 -0.116 0.000 0.868 185 P CB -0.127 31.238 31.700 -0.558 0.000 0.788 186 N N -0.886 117.593 118.700 -0.370 0.000 2.069 186 N HA -0.146 4.594 4.740 -0.000 0.000 0.191 186 N C 1.932 177.164 175.510 -0.462 0.000 1.031 186 N CA 1.498 54.150 53.050 -0.663 0.000 0.852 186 N CB -1.302 36.294 38.487 -1.485 0.000 1.018 186 N HN 0.059 nan 8.380 nan 0.000 0.423 187 S N -0.171 115.353 115.700 -0.293 0.000 2.382 187 S HA -0.077 4.393 4.470 -0.000 0.000 0.228 187 S C 1.720 176.400 174.600 0.133 0.000 1.027 187 S CA 0.553 58.737 58.200 -0.027 0.000 0.991 187 S CB -0.338 62.858 63.200 -0.007 0.000 0.823 187 S HN 0.304 nan 8.310 nan 0.000 0.469 188 F N 2.348 122.256 119.950 -0.071 0.000 2.084 188 F HA 0.079 4.606 4.527 -0.000 0.000 0.296 188 F C 2.346 178.056 175.800 -0.150 0.000 1.111 188 F CA 1.129 59.048 58.000 -0.136 0.000 1.224 188 F CB -1.142 37.812 39.000 -0.076 0.000 0.991 188 F HN 0.231 nan 8.300 nan 0.000 0.471 189 A N 0.025 122.855 122.820 0.018 0.000 1.883 189 A HA -0.305 4.015 4.320 -0.000 0.000 0.217 189 A C 2.235 179.751 177.584 -0.112 0.000 1.186 189 A CA 2.011 54.068 52.037 0.034 0.000 0.624 189 A CB -1.244 17.956 19.000 0.333 0.000 0.822 189 A HN 0.593 nan 8.150 nan 0.000 0.444 190 E N -1.652 118.563 120.200 0.024 0.000 2.130 190 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 190 E C 1.709 178.207 176.600 -0.170 0.000 0.998 190 E CA 1.646 58.058 56.400 0.021 0.000 0.806 190 E CB -0.233 29.554 29.700 0.145 0.000 0.738 190 E HN 0.791 nan 8.360 nan 0.000 0.459 191 W N -0.328 120.756 121.300 -0.360 0.000 2.481 191 W HA 0.024 4.684 4.660 -0.000 0.000 0.293 191 W C 2.263 178.419 176.519 -0.605 0.000 1.201 191 W CA 0.256 57.349 57.345 -0.421 0.000 1.328 191 W CB -0.157 29.080 29.460 -0.372 0.000 1.112 191 W HN 0.130 nan 8.180 nan 0.000 0.546 192 M N 0.274 119.441 119.600 -0.722 0.000 2.159 192 M HA -0.151 4.329 4.480 -0.000 0.000 0.263 192 M C 1.411 177.319 176.300 -0.653 0.000 1.063 192 M CA 1.264 55.974 55.300 -0.984 0.000 1.110 192 M CB -1.703 29.737 32.600 -1.934 0.000 1.374 192 M HN 0.036 nan 8.290 nan 0.000 0.411 193 N N 0.866 119.281 118.700 -0.476 0.000 2.289 193 N HA -0.035 4.705 4.740 -0.000 0.000 0.184 193 N C 1.533 176.906 175.510 -0.228 0.000 1.016 193 N CA 1.391 54.319 53.050 -0.204 0.000 0.872 193 N CB -0.211 38.232 38.487 -0.074 0.000 0.973 193 N HN 0.373 nan 8.380 nan 0.000 0.433 194 A N 0.216 122.849 122.820 -0.311 0.000 2.206 194 A HA 0.015 4.335 4.320 -0.000 0.000 0.211 194 A C 1.288 178.690 177.584 -0.303 0.000 1.158 194 A CA 0.760 52.613 52.037 -0.308 0.000 0.761 194 A CB -0.406 18.348 19.000 -0.411 0.000 0.801 194 A HN 0.407 nan 8.150 nan 0.000 0.473 195 T N -2.765 111.563 114.554 -0.376 0.000 2.922 195 T HA 0.382 4.732 4.350 -0.000 0.000 0.281 195 T C 0.179 174.710 174.700 -0.280 0.000 1.005 195 T CA -0.016 61.815 62.100 -0.449 0.000 0.982 195 T CB 1.185 69.466 68.868 -0.979 0.000 1.158 195 T HN 0.247 nan 8.240 nan 0.000 0.566 196 D N -1.121 119.166 120.400 -0.188 0.000 2.358 196 D HA 0.053 4.693 4.640 -0.000 0.000 0.224 196 D C 0.027 176.432 176.300 0.175 0.000 1.123 196 D CA -0.393 53.612 54.000 0.008 0.000 0.833 196 D CB -0.380 40.448 40.800 0.046 0.000 0.946 196 D HN 0.665 nan 8.370 nan 0.000 0.505 197 Y N 1.212 121.501 120.300 -0.018 0.000 2.330 197 Y HA 0.059 4.609 4.550 -0.000 0.000 0.341 197 Y C 1.224 177.169 175.900 0.074 0.000 1.278 197 Y CA -0.786 57.323 58.100 0.015 0.000 1.453 197 Y CB 0.891 39.333 38.460 -0.031 0.000 1.342 197 Y HN -0.092 nan 8.280 nan 0.000 0.590 198 E N 2.694 123.057 120.200 0.271 0.000 1.924 198 E HA 0.070 4.420 4.350 -0.000 0.000 0.261 198 E C -1.476 175.294 176.600 0.283 0.000 1.088 198 E CA -0.445 56.082 56.400 0.211 0.000 0.909 198 E CB -0.130 29.657 29.700 0.146 0.000 1.112 198 E HN 0.345 nan 8.360 nan 0.000 0.425 199 F N 4.513 124.525 119.950 0.102 0.000 2.420 199 F HA 0.299 4.826 4.527 0.000 0.000 0.352 199 F C -0.939 174.918 175.800 0.095 0.000 1.108 199 F CA -0.659 57.395 58.000 0.090 0.000 1.162 199 F CB 0.759 39.774 39.000 0.025 0.000 1.118 199 F HN 0.038 nan 8.300 nan 0.000 0.510 200 V N 7.745 127.486 119.914 -0.288 0.000 2.709 200 V HA 0.440 4.560 4.120 -0.000 0.000 0.308 200 V C -0.224 175.624 176.094 -0.410 0.000 1.062 200 V CA -0.892 61.211 62.300 -0.329 0.000 0.901 200 V CB 2.083 33.874 31.823 -0.053 0.000 1.003 200 V HN 0.551 nan 8.190 nan 0.000 0.425 201 I N 3.143 123.511 120.570 -0.337 0.000 2.362 201 I HA 0.499 4.669 4.170 -0.000 0.000 0.289 201 I C -0.088 176.025 176.117 -0.006 0.000 0.994 201 I CA -0.182 61.057 61.300 -0.101 0.000 1.158 201 I CB 1.999 39.956 38.000 -0.072 0.000 1.315 201 I HN 0.618 nan 8.210 nan 0.000 0.451 202 T N 6.113 120.783 114.554 0.193 0.000 2.841 202 T HA 0.596 4.946 4.350 -0.000 0.000 0.283 202 T C -0.920 174.019 174.700 0.398 0.000 1.000 202 T CA -0.355 61.864 62.100 0.198 0.000 0.977 202 T CB 0.640 69.723 68.868 0.358 0.000 0.979 202 T HN 0.850 nan 8.240 nan 0.000 0.446 203 H N 1.476 120.683 119.070 0.229 0.000 2.967 203 H HA 0.486 5.042 4.556 -0.000 0.000 0.318 203 H C -3.431 171.597 175.328 -0.501 0.000 1.375 203 H CA -2.073 53.790 56.048 -0.309 0.000 1.132 203 H CB 0.552 30.207 29.762 -0.179 0.000 1.848 203 H HN 0.320 nan 8.280 nan 0.000 0.524 204 P HA 0.038 nan 4.420 nan 0.000 0.274 204 P C -0.099 177.315 177.300 0.190 0.000 1.246 204 P CA -0.320 62.535 63.100 -0.408 0.000 0.795 204 P CB 0.678 31.778 31.700 -1.000 0.000 1.006 205 E N 0.712 121.083 120.200 0.285 0.000 2.452 205 E HA 0.129 4.479 4.350 -0.000 0.000 0.261 205 E C 1.310 177.978 176.600 0.114 0.000 0.987 205 E CA 1.521 58.091 56.400 0.283 0.000 0.926 205 E CB -0.084 29.677 29.700 0.102 0.000 0.934 205 E HN 0.820 nan 8.360 nan 0.000 0.452 206 G N 3.110 111.976 108.800 0.109 0.000 2.234 206 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.235 206 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.235 206 G C 0.402 175.171 174.900 -0.220 0.000 0.997 206 G CA -0.013 45.029 45.100 -0.097 0.000 0.623 206 G HN 0.550 nan 8.290 nan 0.000 0.514 207 Y N 2.859 123.063 120.300 -0.160 0.000 2.645 207 Y HA 0.321 4.871 4.550 -0.000 0.000 0.307 207 Y C 0.873 176.566 175.900 -0.344 0.000 1.151 207 Y CA -0.068 57.855 58.100 -0.294 0.000 1.291 207 Y CB 0.260 38.285 38.460 -0.724 0.000 1.135 207 Y HN 0.287 nan 8.280 nan 0.000 0.523 208 E N 0.941 121.179 120.200 0.063 0.000 2.414 208 E HA 0.061 4.411 4.350 -0.000 0.000 0.263 208 E C -0.136 176.626 176.600 0.270 0.000 1.000 208 E CA 0.063 56.602 56.400 0.231 0.000 0.914 208 E CB 1.393 31.307 29.700 0.357 0.000 0.948 208 E HN 0.396 nan 8.360 nan 0.000 0.444 209 L N 1.200 122.525 121.223 0.170 0.000 2.469 209 L HA 0.169 4.509 4.340 -0.000 0.000 0.253 209 L C 0.954 177.749 176.870 -0.125 0.000 1.143 209 L CA -0.910 53.895 54.840 -0.059 0.000 0.804 209 L CB 0.346 42.305 42.059 -0.167 0.000 1.214 209 L HN 0.482 nan 8.230 nan 0.000 0.476 210 D N 0.663 120.742 120.400 -0.535 0.000 2.488 210 D HA -0.000 4.640 4.640 -0.000 0.000 0.238 210 D C -1.835 174.462 176.300 -0.006 0.000 1.138 210 D CA -1.190 52.600 54.000 -0.349 0.000 0.873 210 D CB 1.640 42.277 40.800 -0.272 0.000 1.183 210 D HN 0.167 nan 8.370 nan 0.000 0.458 211 P HA -0.156 nan 4.420 nan 0.000 0.216 211 P C 1.121 178.407 177.300 -0.024 0.000 1.153 211 P CA 1.927 65.050 63.100 0.039 0.000 0.848 211 P CB -0.011 31.717 31.700 0.046 0.000 0.787 212 K N -1.369 118.952 120.400 -0.133 0.000 2.362 212 K HA -0.146 4.174 4.320 -0.000 0.000 0.202 212 K C 1.422 177.828 176.600 -0.323 0.000 1.045 212 K CA 1.544 57.672 56.287 -0.265 0.000 0.936 212 K CB -0.886 31.369 32.500 -0.407 0.000 0.747 212 K HN 0.185 nan 8.250 nan 0.000 0.467 213 F N 0.110 120.056 119.950 -0.007 0.000 2.419 213 F HA 0.031 4.557 4.527 -0.000 0.000 0.283 213 F C 2.218 178.033 175.800 0.026 0.000 1.044 213 F CA -0.260 57.736 58.000 -0.007 0.000 1.376 213 F CB 0.149 39.132 39.000 -0.028 0.000 1.131 213 F HN -0.246 nan 8.300 nan 0.000 0.585 214 V N 0.265 120.310 119.914 0.217 0.000 2.332 214 V HA -0.164 3.956 4.120 -0.000 0.000 0.248 214 V C 1.859 178.043 176.094 0.150 0.000 1.055 214 V CA 1.591 63.998 62.300 0.178 0.000 1.038 214 V CB -1.463 30.443 31.823 0.138 0.000 0.651 214 V HN 0.641 nan 8.190 nan 0.000 0.450 215 G N 1.012 109.870 108.800 0.095 0.000 2.574 215 G HA2 -0.406 3.554 3.960 -0.000 0.000 0.286 215 G HA3 -0.406 3.554 3.960 -0.000 0.000 0.286 215 G C 0.216 175.155 174.900 0.065 0.000 1.212 215 G CA 0.595 45.733 45.100 0.063 0.000 0.979 215 G HN 0.846 nan 8.290 nan 0.000 0.557 216 N N 1.161 119.900 118.700 0.064 0.000 2.279 216 N HA 0.587 5.326 4.740 -0.000 0.000 0.226 216 N C 0.491 176.042 175.510 0.068 0.000 1.126 216 N CA 1.042 54.126 53.050 0.057 0.000 0.846 216 N CB 0.464 38.975 38.487 0.042 0.000 1.050 216 N HN 1.159 nan 8.380 nan 0.000 0.502 217 A N 0.815 123.688 122.820 0.089 0.000 2.477 217 A HA 0.189 4.508 4.320 -0.000 0.000 0.246 217 A C 0.568 178.135 177.584 -0.029 0.000 1.078 217 A CA -0.600 51.464 52.037 0.045 0.000 0.770 217 A CB 0.208 19.219 19.000 0.018 0.000 1.011 217 A HN 0.501 nan 8.150 nan 0.000 0.494 218 R N 1.906 122.372 120.500 -0.056 0.000 2.537 218 R HA 0.358 4.698 4.340 -0.000 0.000 0.280 218 R C -1.171 175.074 176.300 -0.092 0.000 1.058 218 R CA 0.040 56.116 56.100 -0.041 0.000 1.057 218 R CB 0.258 30.546 30.300 -0.020 0.000 0.973 218 R HN 0.446 nan 8.270 nan 0.000 0.438 219 V N 3.771 123.649 119.914 -0.060 0.000 2.448 219 V HA 0.262 4.382 4.120 -0.000 0.000 0.295 219 V C -0.748 175.252 176.094 -0.157 0.000 1.025 219 V CA -0.672 61.540 62.300 -0.146 0.000 0.859 219 V CB 1.565 33.309 31.823 -0.132 0.000 0.988 219 V HN 0.779 nan 8.190 nan 0.000 0.431 220 E N 2.543 122.610 120.200 -0.222 0.000 2.191 220 E HA 0.432 4.782 4.350 -0.000 0.000 0.263 220 E C -0.651 175.832 176.600 -0.196 0.000 0.881 220 E CA -0.437 55.899 56.400 -0.106 0.000 0.757 220 E CB 1.175 30.879 29.700 0.006 0.000 1.147 220 E HN 0.539 nan 8.360 nan 0.000 0.414 221 Y N 1.702 122.035 120.300 0.055 0.000 2.578 221 Y HA 0.113 4.663 4.550 0.000 0.000 0.297 221 Y C 0.572 176.577 175.900 0.175 0.000 1.176 221 Y CA 0.422 58.599 58.100 0.128 0.000 1.315 221 Y CB 0.589 39.112 38.460 0.105 0.000 1.031 221 Y HN 0.431 nan 8.280 nan 0.000 0.524 222 D N 0.372 120.867 120.400 0.159 0.000 2.392 222 D HA 0.034 4.674 4.640 -0.000 0.000 0.228 222 D C 0.642 176.897 176.300 -0.074 0.000 1.074 222 D CA -0.081 53.935 54.000 0.026 0.000 0.838 222 D CB 1.266 42.082 40.800 0.027 0.000 1.067 222 D HN 0.256 nan 8.370 nan 0.000 0.511 223 Q N 3.690 123.279 119.800 -0.351 0.000 2.030 223 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 223 Q C 1.770 177.614 176.000 -0.259 0.000 0.986 223 Q CA 1.292 56.848 55.803 -0.411 0.000 0.843 223 Q CB 0.181 28.297 28.738 -1.036 0.000 0.904 223 Q HN 0.564 nan 8.270 nan 0.000 0.420 224 M N 0.514 119.926 119.600 -0.313 0.000 2.149 224 M HA -0.189 4.291 4.480 -0.000 0.000 0.261 224 M C 1.918 178.212 176.300 -0.012 0.000 1.064 224 M CA 1.587 56.778 55.300 -0.182 0.000 1.102 224 M CB -0.702 31.797 32.600 -0.169 0.000 1.369 224 M HN 0.190 nan 8.290 nan 0.000 0.408 225 K N -0.150 120.250 120.400 0.000 0.000 1.984 225 K HA -0.042 4.277 4.320 -0.000 0.000 0.209 225 K C 2.109 178.774 176.600 0.108 0.000 1.046 225 K CA 1.389 57.705 56.287 0.050 0.000 0.934 225 K CB -0.248 32.276 32.500 0.041 0.000 0.717 225 K HN 0.275 nan 8.250 nan 0.000 0.438 226 A N 1.100 124.002 122.820 0.137 0.000 1.927 226 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 226 A C 1.954 179.694 177.584 0.260 0.000 1.185 226 A CA 1.609 53.759 52.037 0.188 0.000 0.639 226 A CB -0.836 18.298 19.000 0.224 0.000 0.820 226 A HN 0.235 nan 8.150 nan 0.000 0.451 227 F N 0.460 120.436 119.950 0.044 0.000 2.269 227 F HA -0.011 4.516 4.527 0.000 0.000 0.301 227 F C 1.121 176.949 175.800 0.047 0.000 1.082 227 F CA 0.464 58.499 58.000 0.059 0.000 1.360 227 F CB -0.516 38.507 39.000 0.039 0.000 1.041 227 F HN 0.289 nan 8.300 nan 0.000 0.512 228 E N 0.141 120.463 120.200 0.203 0.000 2.694 228 E HA 0.094 4.443 4.350 -0.000 0.000 0.250 228 E C 1.324 177.975 176.600 0.084 0.000 0.963 228 E CA 0.645 57.116 56.400 0.118 0.000 0.949 228 E CB -0.170 29.581 29.700 0.084 0.000 0.911 228 E HN 0.433 nan 8.360 nan 0.000 0.500 229 G N 2.691 111.529 108.800 0.062 0.000 2.269 229 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.277 229 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.277 229 G C 0.375 175.296 174.900 0.034 0.000 1.008 229 G CA 0.236 45.359 45.100 0.039 0.000 0.774 229 G HN 0.748 nan 8.290 nan 0.000 0.511 230 A N -0.796 122.041 122.820 0.028 0.000 2.386 230 A HA 0.567 4.887 4.320 -0.000 0.000 0.248 230 A C 1.134 178.716 177.584 -0.003 0.000 1.082 230 A CA 0.611 52.658 52.037 0.017 0.000 0.789 230 A CB 0.443 19.405 19.000 -0.063 0.000 1.025 230 A HN 0.220 nan 8.150 nan 0.000 0.490 231 D N -0.499 119.937 120.400 0.060 0.000 2.380 231 D HA 0.201 4.841 4.640 -0.000 0.000 0.212 231 D C -0.826 175.370 176.300 -0.174 0.000 1.021 231 D CA 1.151 55.142 54.000 -0.016 0.000 0.884 231 D CB 0.301 41.199 40.800 0.163 0.000 1.001 231 D HN 0.425 nan 8.370 nan 0.000 0.506 232 F N 0.784 120.765 119.950 0.052 0.000 2.574 232 F HA 0.360 4.886 4.527 -0.000 0.000 0.313 232 F C -0.429 175.401 175.800 0.050 0.000 1.130 232 F CA -0.930 57.133 58.000 0.105 0.000 0.936 232 F CB 2.126 41.214 39.000 0.147 0.000 1.219 232 F HN -0.322 nan 8.300 nan 0.000 0.445 233 I N 3.599 124.270 120.570 0.169 0.000 2.355 233 I HA 0.151 4.321 4.170 -0.000 0.000 0.288 233 I C -1.096 175.064 176.117 0.071 0.000 0.999 233 I CA -0.902 60.420 61.300 0.037 0.000 1.163 233 I CB 1.139 39.120 38.000 -0.031 0.000 1.316 233 I HN 0.549 nan 8.210 nan 0.000 0.454 234 Y N 6.591 126.853 120.300 -0.063 0.000 2.841 234 Y HA 0.653 5.203 4.550 -0.000 0.000 0.329 234 Y C 0.361 176.154 175.900 -0.179 0.000 1.062 234 Y CA -0.821 57.108 58.100 -0.286 0.000 1.281 234 Y CB 0.803 38.910 38.460 -0.588 0.000 1.147 234 Y HN 0.643 nan 8.280 nan 0.000 0.521 235 A N 4.647 127.314 122.820 -0.256 0.000 2.371 235 A HA 0.688 5.008 4.320 -0.000 0.000 0.257 235 A C -0.627 176.724 177.584 -0.390 0.000 1.089 235 A CA -0.357 51.661 52.037 -0.032 0.000 0.794 235 A CB 0.566 19.786 19.000 0.365 0.000 1.029 235 A HN 0.607 nan 8.150 nan 0.000 0.488 236 K N 1.395 121.695 120.400 -0.168 0.000 2.600 236 K HA 0.182 4.502 4.320 -0.000 0.000 0.262 236 K C -1.372 175.197 176.600 -0.052 0.000 0.935 236 K CA -0.351 55.803 56.287 -0.222 0.000 0.866 236 K CB 0.957 33.272 32.500 -0.308 0.000 1.354 236 K HN 0.805 nan 8.250 nan 0.000 0.419 237 N N 2.979 121.591 118.700 -0.147 0.000 2.489 237 N HA 0.635 5.375 4.740 -0.000 0.000 0.284 237 N C -1.280 174.235 175.510 0.008 0.000 1.158 237 N CA -0.174 52.620 53.050 -0.427 0.000 0.965 237 N CB 0.846 39.046 38.487 -0.478 0.000 1.195 237 N HN 0.591 nan 8.380 nan 0.000 0.506 238 W N 0.994 122.263 121.300 -0.051 0.000 3.573 238 W HA 0.683 5.343 4.660 -0.000 0.000 0.306 238 W C -1.494 175.261 176.519 0.393 0.000 1.227 238 W CA -1.058 56.384 57.345 0.160 0.000 1.212 238 W CB 0.012 29.589 29.460 0.195 0.000 1.331 238 W HN 0.575 nan 8.180 nan 0.000 0.524 239 A N 2.866 126.015 122.820 0.548 0.000 2.366 239 A HA 0.687 5.007 4.320 -0.000 0.000 0.249 239 A C 0.865 178.724 177.584 0.460 0.000 1.084 239 A CA 0.004 52.309 52.037 0.447 0.000 0.794 239 A CB -0.139 19.000 19.000 0.231 0.000 1.034 239 A HN 1.755 nan 8.150 nan 0.000 0.491 240 A N -0.241 122.671 122.820 0.154 0.000 2.599 240 A HA 0.250 4.570 4.320 -0.000 0.000 0.240 240 A C 0.432 178.112 177.584 0.161 0.000 1.109 240 A CA 1.529 53.539 52.037 -0.045 0.000 0.798 240 A CB -0.193 18.609 19.000 -0.331 0.000 1.050 240 A HN 1.833 nan 8.150 nan 0.000 0.518 241 Y N -0.128 120.220 120.300 0.081 0.000 2.640 241 Y HA 0.335 4.885 4.550 -0.000 0.000 0.274 241 Y C 0.360 176.325 175.900 0.110 0.000 1.164 241 Y CA -0.227 57.988 58.100 0.192 0.000 1.189 241 Y CB -0.060 38.531 38.460 0.219 0.000 1.333 241 Y HN 0.447 nan 8.280 nan 0.000 0.494 242 L N 1.959 123.073 121.223 -0.181 0.000 2.525 242 L HA 0.108 4.448 4.340 -0.000 0.000 0.278 242 L C 1.755 178.467 176.870 -0.263 0.000 1.218 242 L CA 0.739 55.407 54.840 -0.287 0.000 0.878 242 L CB -0.088 41.914 42.059 -0.096 0.000 1.127 242 L HN 0.599 nan 8.230 nan 0.000 0.492 243 G N 2.899 111.525 108.800 -0.289 0.000 3.869 243 G HA2 -0.410 3.550 3.960 -0.000 0.000 0.260 243 G HA3 -0.410 3.550 3.960 -0.000 0.000 0.260 243 G C 0.791 175.613 174.900 -0.130 0.000 0.870 243 G CA 1.050 46.029 45.100 -0.203 0.000 0.731 243 G HN 0.855 nan 8.290 nan 0.000 1.403 244 D N 1.543 121.885 120.400 -0.098 0.000 2.411 244 D HA -0.041 4.599 4.640 -0.000 0.000 0.226 244 D C 1.312 177.569 176.300 -0.071 0.000 0.988 244 D CA 0.775 54.732 54.000 -0.071 0.000 0.938 244 D CB -0.094 40.669 40.800 -0.062 0.000 0.883 244 D HN 0.352 nan 8.370 nan 0.000 0.525 245 N N -0.255 118.391 118.700 -0.090 0.000 2.170 245 N HA -0.068 4.672 4.740 -0.000 0.000 0.222 245 N C 0.026 175.462 175.510 -0.124 0.000 1.218 245 N CA -0.380 52.602 53.050 -0.113 0.000 0.889 245 N CB 0.446 38.837 38.487 -0.160 0.000 1.083 245 N HN 0.154 nan 8.380 nan 0.000 0.520 246 Y N 2.363 122.529 120.300 -0.224 0.000 2.969 246 Y HA 0.058 4.608 4.550 -0.000 0.000 0.339 246 Y C 1.577 177.220 175.900 -0.428 0.000 1.272 246 Y CA 1.339 59.277 58.100 -0.269 0.000 1.577 246 Y CB 0.001 38.339 38.460 -0.203 0.000 1.234 246 Y HN 0.431 nan 8.280 nan 0.000 0.590 247 G N 4.285 112.204 108.800 -1.468 0.000 2.203 247 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.263 247 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.263 247 G C -0.029 174.423 174.900 -0.745 0.000 1.012 247 G CA 0.428 44.286 45.100 -2.070 0.000 0.749 247 G HN 0.703 nan 8.290 nan 0.000 0.512 248 Q N -1.102 118.457 119.800 -0.401 0.000 2.301 248 Q HA 0.650 4.990 4.340 -0.000 0.000 0.267 248 Q C 0.195 176.164 176.000 -0.053 0.000 1.035 248 Q CA -0.952 54.750 55.803 -0.168 0.000 0.856 248 Q CB 1.811 30.463 28.738 -0.144 0.000 1.337 248 Q HN 0.343 nan 8.270 nan 0.000 0.450 249 I N 3.287 123.874 120.570 0.029 0.000 2.301 249 I HA 0.022 4.191 4.170 -0.000 0.000 0.292 249 I C 0.766 176.927 176.117 0.075 0.000 1.046 249 I CA 0.110 61.492 61.300 0.136 0.000 1.282 249 I CB 0.569 38.660 38.000 0.151 0.000 1.409 249 I HN 0.544 nan 8.210 nan 0.000 0.484 250 L N 4.071 125.321 121.223 0.045 0.000 2.298 250 L HA 0.148 4.488 4.340 -0.000 0.000 0.209 250 L C 0.995 177.908 176.870 0.073 0.000 1.084 250 L CA 0.595 55.398 54.840 -0.062 0.000 0.816 250 L CB -0.082 41.765 42.059 -0.354 0.000 0.967 250 L HN 0.535 nan 8.230 nan 0.000 0.460 251 S N -0.903 114.944 115.700 0.246 0.000 2.588 251 S HA 0.488 4.958 4.470 -0.000 0.000 0.275 251 S C 0.020 174.813 174.600 0.322 0.000 1.130 251 S CA -0.109 58.215 58.200 0.207 0.000 0.855 251 S CB 1.809 65.047 63.200 0.065 0.000 1.116 251 S HN 0.192 nan 8.310 nan 0.000 0.472 252 T N -0.479 114.223 114.554 0.247 0.000 3.604 252 T HA 0.262 4.612 4.350 -0.000 0.000 0.305 252 T C -0.579 174.240 174.700 0.199 0.000 0.978 252 T CA -0.440 61.790 62.100 0.217 0.000 0.999 252 T CB -0.146 68.799 68.868 0.128 0.000 1.204 252 T HN 0.482 nan 8.240 nan 0.000 0.476 253 D N 2.175 122.732 120.400 0.261 0.000 2.426 253 D HA 0.065 4.705 4.640 -0.000 0.000 0.261 253 D C 1.159 177.641 176.300 0.303 0.000 1.245 253 D CA -0.131 54.032 54.000 0.271 0.000 0.917 253 D CB 0.736 41.739 40.800 0.338 0.000 1.123 253 D HN 0.331 nan 8.370 nan 0.000 0.508 254 R N 3.095 123.707 120.500 0.186 0.000 2.339 254 R HA 0.012 4.352 4.340 -0.000 0.000 0.199 254 R C 0.731 177.112 176.300 0.135 0.000 1.018 254 R CA 0.044 56.225 56.100 0.135 0.000 1.036 254 R CB 0.098 30.437 30.300 0.065 0.000 0.899 254 R HN 0.378 nan 8.270 nan 0.000 0.473 255 N N -0.519 118.292 118.700 0.184 0.000 2.463 255 N HA -0.090 4.650 4.740 -0.000 0.000 0.181 255 N C 0.552 176.072 175.510 0.017 0.000 1.078 255 N CA 0.750 53.837 53.050 0.063 0.000 0.902 255 N CB 0.118 38.616 38.487 0.018 0.000 0.970 255 N HN 0.313 nan 8.380 nan 0.000 0.451 256 W N 0.973 122.305 121.300 0.053 0.000 3.197 256 W HA 0.193 4.853 4.660 -0.001 0.000 0.274 256 W C 0.386 176.909 176.519 0.007 0.000 1.297 256 W CA -0.057 57.330 57.345 0.070 0.000 1.662 256 W CB -0.329 29.294 29.460 0.272 0.000 1.106 256 W HN -0.289 nan 8.180 nan 0.000 0.663 257 T N 2.137 116.790 114.554 0.165 0.000 2.793 257 T HA 0.057 4.407 4.350 -0.000 0.000 0.289 257 T C 0.466 175.180 174.700 0.024 0.000 0.956 257 T CA 0.038 62.174 62.100 0.060 0.000 1.177 257 T CB 0.484 69.357 68.868 0.008 0.000 0.897 257 T HN -0.372 nan 8.240 nan 0.000 0.533 258 V N 5.007 124.957 119.914 0.060 0.000 2.442 258 V HA 0.301 4.420 4.120 -0.000 0.000 0.272 258 V C 1.167 177.230 176.094 -0.052 0.000 0.989 258 V CA 0.288 62.622 62.300 0.057 0.000 1.123 258 V CB -0.595 31.357 31.823 0.216 0.000 1.008 258 V HN 1.025 nan 8.190 nan 0.000 0.469 259 G N 2.775 111.539 108.800 -0.060 0.000 3.108 259 G HA2 0.388 4.348 3.960 -0.000 0.000 0.268 259 G HA3 0.388 4.348 3.960 -0.000 0.000 0.268 259 G C 0.453 175.322 174.900 -0.051 0.000 1.361 259 G CA -0.163 44.892 45.100 -0.075 0.000 1.047 259 G HN 0.493 nan 8.290 nan 0.000 0.540 260 D N -0.522 119.848 120.400 -0.050 0.000 2.104 260 D HA -0.156 4.483 4.640 -0.000 0.000 0.194 260 D C 2.242 178.529 176.300 -0.021 0.000 0.994 260 D CA 1.209 55.192 54.000 -0.029 0.000 0.830 260 D CB -0.063 40.718 40.800 -0.031 0.000 0.959 260 D HN 0.428 nan 8.370 nan 0.000 0.452 261 R N -0.277 120.196 120.500 -0.045 0.000 2.136 261 R HA -0.284 4.056 4.340 -0.000 0.000 0.242 261 R C 2.282 178.543 176.300 -0.066 0.000 1.131 261 R CA 2.325 58.389 56.100 -0.060 0.000 0.937 261 R CB -0.232 30.016 30.300 -0.087 0.000 0.863 261 R HN 0.226 nan 8.270 nan 0.000 0.435 262 Q N -0.775 118.958 119.800 -0.112 0.000 2.167 262 Q HA -0.055 4.285 4.340 -0.000 0.000 0.202 262 Q C 2.018 178.129 176.000 0.186 0.000 0.970 262 Q CA 1.441 57.144 55.803 -0.166 0.000 0.855 262 Q CB 0.015 28.391 28.738 -0.604 0.000 0.911 262 Q HN 0.328 nan 8.270 nan 0.000 0.438 263 M N -0.329 119.385 119.600 0.192 0.000 2.319 263 M HA 0.026 4.505 4.480 -0.000 0.000 0.265 263 M C 2.065 178.439 176.300 0.123 0.000 1.068 263 M CA 1.213 56.643 55.300 0.216 0.000 1.118 263 M CB -1.110 31.567 32.600 0.128 0.000 1.395 263 M HN 0.280 nan 8.290 nan 0.000 0.435 264 A N -0.253 122.610 122.820 0.071 0.000 1.972 264 A HA -0.065 4.254 4.320 -0.000 0.000 0.219 264 A C 2.253 179.866 177.584 0.048 0.000 1.169 264 A CA 1.484 53.544 52.037 0.039 0.000 0.635 264 A CB -0.764 18.244 19.000 0.014 0.000 0.810 264 A HN 0.308 nan 8.150 nan 0.000 0.446 265 V N 0.892 120.851 119.914 0.076 0.000 3.461 265 V HA -0.039 4.080 4.120 -0.000 0.000 0.267 265 V C 1.577 177.732 176.094 0.101 0.000 1.186 265 V CA 1.280 63.627 62.300 0.078 0.000 1.154 265 V CB -1.507 30.361 31.823 0.076 0.000 0.802 265 V HN 0.781 nan 8.190 nan 0.000 0.474 266 T N -2.150 112.473 114.554 0.115 0.000 2.824 266 T HA 0.100 4.450 4.350 -0.000 0.000 0.277 266 T C 0.422 175.131 174.700 0.016 0.000 0.975 266 T CA -0.527 61.616 62.100 0.072 0.000 0.966 266 T CB 0.697 69.596 68.868 0.052 0.000 1.054 266 T HN 0.298 nan 8.240 nan 0.000 0.533 267 N N 0.922 119.611 118.700 -0.018 0.000 3.303 267 N HA 0.006 4.746 4.740 -0.000 0.000 0.304 267 N C 0.320 175.769 175.510 -0.102 0.000 1.302 267 N CA -0.068 52.955 53.050 -0.045 0.000 1.213 267 N CB -0.933 37.529 38.487 -0.041 0.000 1.481 267 N HN 0.846 nan 8.380 nan 0.000 0.546 268 N N 0.580 119.228 118.700 -0.087 0.000 2.716 268 N HA -0.236 4.504 4.740 -0.000 0.000 0.250 268 N C -0.445 174.920 175.510 -0.243 0.000 1.033 268 N CA -0.008 52.965 53.050 -0.130 0.000 0.727 268 N CB -0.537 37.867 38.487 -0.138 0.000 0.950 268 N HN 0.472 nan 8.380 nan 0.000 0.541 269 A N 0.763 123.466 122.820 -0.195 0.000 2.466 269 A HA 0.263 4.583 4.320 -0.000 0.000 0.238 269 A C -0.139 177.299 177.584 -0.243 0.000 1.074 269 A CA 0.067 51.938 52.037 -0.277 0.000 0.774 269 A CB 0.193 19.109 19.000 -0.141 0.000 1.015 269 A HN 0.415 nan 8.150 nan 0.000 0.498 270 Y N -0.365 119.745 120.300 -0.317 0.000 2.304 270 Y HA 0.348 4.898 4.550 -0.000 0.000 0.327 270 Y C 0.070 175.958 175.900 -0.020 0.000 1.209 270 Y CA 0.142 58.109 58.100 -0.221 0.000 1.299 270 Y CB 0.870 39.060 38.460 -0.450 0.000 1.249 270 Y HN 0.609 nan 8.280 nan 0.000 0.519 271 F N 4.487 124.511 119.950 0.124 0.000 2.415 271 F HA 0.586 5.113 4.527 -0.000 0.000 0.348 271 F C -0.931 174.937 175.800 0.114 0.000 1.119 271 F CA -0.981 57.084 58.000 0.108 0.000 1.069 271 F CB 0.543 39.593 39.000 0.083 0.000 1.124 271 F HN 0.405 nan 8.300 nan 0.000 0.472 272 M N 5.209 124.312 119.600 -0.828 0.000 2.716 272 M HA 0.433 4.913 4.480 -0.000 0.000 0.307 272 M C -1.477 174.326 176.300 -0.829 0.000 1.223 272 M CA -0.810 54.155 55.300 -0.558 0.000 0.871 272 M CB 2.287 34.866 32.600 -0.035 0.000 1.739 272 M HN 0.631 nan 8.290 nan 0.000 0.475 273 H N -0.105 118.648 119.070 -0.528 0.000 3.141 273 H HA 0.099 4.655 4.556 -0.000 0.000 0.309 273 H C 0.133 175.301 175.328 -0.267 0.000 1.083 273 H CA -0.744 54.990 56.048 -0.522 0.000 1.466 273 H CB 1.223 30.784 29.762 -0.336 0.000 2.095 273 H HN 1.042 nan 8.280 nan 0.000 0.467 274 C N 3.286 122.432 119.300 -0.257 0.000 2.403 274 C HA 0.125 4.585 4.460 -0.000 0.000 0.279 274 C C 0.899 175.978 174.990 0.148 0.000 1.269 274 C CA 0.374 59.382 59.018 -0.017 0.000 1.774 274 C CB -1.335 26.363 27.740 -0.071 0.000 1.993 274 C HN 0.681 nan 8.230 nan 0.000 0.496 275 L N -1.432 120.027 121.223 0.393 0.000 0.586 275 L HA -0.057 4.283 4.340 -0.000 0.000 0.356 275 L C -2.360 174.607 176.870 0.162 0.000 1.005 275 L CA 0.189 55.140 54.840 0.185 0.000 1.223 275 L CB -1.528 40.582 42.059 0.085 0.000 0.023 275 L HN 0.154 nan 8.230 nan 0.000 0.092 276 P HA 0.362 nan 4.420 nan 0.000 0.267 276 P C -1.062 176.226 177.300 -0.020 0.000 1.200 276 P CA -0.199 62.934 63.100 0.056 0.000 0.772 276 P CB 0.588 32.336 31.700 0.080 0.000 0.855 277 V N 3.122 122.950 119.914 -0.143 0.000 2.638 277 V HA 0.408 4.528 4.120 -0.000 0.000 0.306 277 V C 0.177 176.174 176.094 -0.161 0.000 1.052 277 V CA -0.810 61.304 62.300 -0.310 0.000 0.885 277 V CB 1.998 33.515 31.823 -0.510 0.000 0.999 277 V HN 0.371 nan 8.190 nan 0.000 0.424 278 R N 3.339 123.756 120.500 -0.139 0.000 2.220 278 R HA 0.419 4.759 4.340 -0.000 0.000 0.340 278 R C 0.102 176.322 176.300 -0.133 0.000 1.076 278 R CA -0.477 55.540 56.100 -0.139 0.000 0.920 278 R CB 0.707 30.875 30.300 -0.221 0.000 1.062 278 R HN 0.619 nan 8.270 nan 0.000 0.469 279 R N 2.437 122.870 120.500 -0.112 0.000 2.623 279 R HA -0.046 4.294 4.340 -0.000 0.000 0.271 279 R C 0.353 176.595 176.300 -0.098 0.000 1.043 279 R CA -0.015 56.024 56.100 -0.102 0.000 1.083 279 R CB 0.260 30.510 30.300 -0.083 0.000 0.974 279 R HN 0.718 nan 8.270 nan 0.000 0.436 280 N N 0.546 119.189 118.700 -0.095 0.000 2.741 280 N HA -0.214 4.526 4.740 -0.000 0.000 0.251 280 N C -0.064 175.397 175.510 -0.081 0.000 1.112 280 N CA 1.306 54.307 53.050 -0.081 0.000 0.750 280 N CB -0.361 38.086 38.487 -0.068 0.000 1.119 280 N HN 0.550 nan 8.380 nan 0.000 0.561 281 M N -1.057 118.484 119.600 -0.099 0.000 2.818 281 M HA 0.249 4.729 4.480 -0.000 0.000 0.207 281 M C 1.779 178.017 176.300 -0.102 0.000 1.874 281 M CA 0.276 55.508 55.300 -0.114 0.000 1.238 281 M CB -0.357 32.136 32.600 -0.179 0.000 1.287 281 M HN -0.080 nan 8.290 nan 0.000 0.592 282 I N -0.369 120.144 120.570 -0.095 0.000 2.277 282 I HA 0.053 4.222 4.170 -0.000 0.000 0.243 282 I C 1.007 177.126 176.117 0.004 0.000 1.094 282 I CA 0.905 62.183 61.300 -0.036 0.000 1.393 282 I CB -0.311 37.702 38.000 0.022 0.000 1.078 282 I HN 0.076 nan 8.210 nan 0.000 0.417 283 V N -0.024 119.853 119.914 -0.061 0.000 2.971 283 V HA 0.366 4.486 4.120 -0.000 0.000 0.309 283 V C -0.189 175.799 176.094 -0.177 0.000 1.130 283 V CA -0.489 61.715 62.300 -0.160 0.000 0.964 283 V CB 2.156 33.749 31.823 -0.382 0.000 1.029 283 V HN 0.248 nan 8.190 nan 0.000 0.427 284 T N 3.961 118.405 114.554 -0.183 0.000 2.855 284 T HA 0.083 4.433 4.350 -0.000 0.000 0.314 284 T C 0.779 175.389 174.700 -0.150 0.000 1.077 284 T CA 0.209 62.225 62.100 -0.140 0.000 1.095 284 T CB 0.365 69.160 68.868 -0.120 0.000 0.987 284 T HN 0.829 nan 8.240 nan 0.000 0.546 285 D N 1.182 121.519 120.400 -0.105 0.000 2.097 285 D HA -0.106 4.533 4.640 -0.000 0.000 0.195 285 D C 1.705 177.951 176.300 -0.090 0.000 0.989 285 D CA 1.148 55.095 54.000 -0.089 0.000 0.827 285 D CB -0.109 40.654 40.800 -0.062 0.000 0.966 285 D HN 0.501 nan 8.370 nan 0.000 0.456 286 D N 0.300 120.650 120.400 -0.083 0.000 2.123 286 D HA -0.113 4.527 4.640 -0.000 0.000 0.196 286 D C 2.310 178.556 176.300 -0.090 0.000 0.992 286 D CA 0.471 54.428 54.000 -0.071 0.000 0.833 286 D CB -0.287 40.478 40.800 -0.058 0.000 0.954 286 D HN 0.087 nan 8.370 nan 0.000 0.455 287 V N 1.136 120.961 119.914 -0.149 0.000 2.307 287 V HA -0.171 3.949 4.120 -0.000 0.000 0.245 287 V C 2.493 178.449 176.094 -0.229 0.000 1.045 287 V CA 1.011 63.186 62.300 -0.208 0.000 1.024 287 V CB -0.288 31.321 31.823 -0.357 0.000 0.651 287 V HN 0.171 nan 8.190 nan 0.000 0.449 288 I N -0.120 120.285 120.570 -0.274 0.000 2.394 288 I HA -0.203 3.967 4.170 -0.000 0.000 0.251 288 I C 2.334 178.439 176.117 -0.020 0.000 1.136 288 I CA 1.565 62.785 61.300 -0.134 0.000 1.425 288 I CB 0.017 37.950 38.000 -0.111 0.000 1.079 288 I HN 0.408 nan 8.210 nan 0.000 0.425 289 E N 0.345 120.521 120.200 -0.040 0.000 2.478 289 E HA -0.020 4.330 4.350 -0.000 0.000 0.194 289 E C 0.932 177.534 176.600 0.004 0.000 1.045 289 E CA 0.239 56.632 56.400 -0.011 0.000 0.868 289 E CB 0.059 29.747 29.700 -0.021 0.000 0.885 289 E HN 0.499 nan 8.360 nan 0.000 0.505 290 S N 1.446 117.147 115.700 0.001 0.000 2.600 290 S HA 0.092 4.562 4.470 -0.000 0.000 0.265 290 S C -1.384 173.246 174.600 0.050 0.000 1.325 290 S CA -1.221 56.990 58.200 0.017 0.000 1.002 290 S CB 0.991 64.196 63.200 0.008 0.000 0.921 290 S HN -0.157 nan 8.310 nan 0.000 0.554 291 P HA -0.072 nan 4.420 nan 0.000 0.225 291 P C 0.611 177.990 177.300 0.131 0.000 1.148 291 P CA 1.000 64.150 63.100 0.084 0.000 0.779 291 P CB 0.012 31.755 31.700 0.072 0.000 0.780 292 Q N -0.299 119.577 119.800 0.127 0.000 2.444 292 Q HA 0.072 4.412 4.340 -0.000 0.000 0.206 292 Q C 0.988 177.141 176.000 0.255 0.000 0.948 292 Q CA 0.265 56.188 55.803 0.200 0.000 0.946 292 Q CB -0.577 28.215 28.738 0.090 0.000 1.027 292 Q HN 0.082 nan 8.270 nan 0.000 0.513 293 S N 0.932 116.743 115.700 0.186 0.000 2.416 293 S HA 0.280 4.750 4.470 -0.000 0.000 0.287 293 S C 0.524 175.168 174.600 0.072 0.000 1.139 293 S CA -0.580 57.744 58.200 0.208 0.000 1.058 293 S CB -0.076 63.244 63.200 0.199 0.000 0.967 293 S HN 0.411 nan 8.310 nan 0.000 0.495 294 I N 3.395 123.941 120.570 -0.040 0.000 3.816 294 I HA 0.344 4.514 4.170 -0.000 0.000 0.334 294 I C 1.058 177.090 176.117 -0.142 0.000 1.551 294 I CA -0.374 60.782 61.300 -0.241 0.000 1.153 294 I CB 0.185 37.746 38.000 -0.732 0.000 1.197 294 I HN 0.385 nan 8.210 nan 0.000 0.439 295 V N 1.488 121.391 119.914 -0.018 0.000 2.469 295 V HA -0.263 3.857 4.120 -0.000 0.000 0.251 295 V C 2.288 178.377 176.094 -0.009 0.000 1.064 295 V CA 2.396 64.699 62.300 0.005 0.000 1.066 295 V CB -0.138 31.741 31.823 0.093 0.000 0.667 295 V HN 0.594 nan 8.190 nan 0.000 0.461 296 I N -0.534 120.031 120.570 -0.009 0.000 2.277 296 I HA -0.071 4.099 4.170 -0.000 0.000 0.243 296 I C -0.290 175.820 176.117 -0.013 0.000 1.094 296 I CA 1.060 62.358 61.300 -0.003 0.000 1.393 296 I CB -1.266 36.741 38.000 0.011 0.000 1.078 296 I HN 0.337 nan 8.210 nan 0.000 0.417 297 P HA -0.182 nan 4.420 nan 0.000 0.219 297 P C 1.389 178.677 177.300 -0.021 0.000 1.146 297 P CA 1.335 64.440 63.100 0.008 0.000 0.808 297 P CB 0.014 31.734 31.700 0.034 0.000 0.779 298 E N -0.323 119.839 120.200 -0.063 0.000 2.028 298 E HA -0.176 4.174 4.350 -0.000 0.000 0.191 298 E C 1.986 178.557 176.600 -0.048 0.000 0.988 298 E CA 1.173 57.538 56.400 -0.058 0.000 0.799 298 E CB -0.439 29.228 29.700 -0.055 0.000 0.755 298 E HN 0.057 nan 8.360 nan 0.000 0.447 299 A N 1.361 124.163 122.820 -0.031 0.000 1.908 299 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 299 A C 2.403 179.964 177.584 -0.039 0.000 1.181 299 A CA 1.999 54.022 52.037 -0.024 0.000 0.627 299 A CB -0.841 18.157 19.000 -0.004 0.000 0.818 299 A HN 0.402 nan 8.150 nan 0.000 0.445 300 A N 0.272 123.072 122.820 -0.033 0.000 1.917 300 A HA -0.281 4.038 4.320 -0.000 0.000 0.219 300 A C 1.840 179.375 177.584 -0.081 0.000 1.182 300 A CA 1.941 53.953 52.037 -0.041 0.000 0.633 300 A CB -1.003 17.986 19.000 -0.018 0.000 0.819 300 A HN 0.738 nan 8.150 nan 0.000 0.448 301 N N -1.117 117.523 118.700 -0.100 0.000 2.520 301 N HA -0.105 4.635 4.740 -0.000 0.000 0.185 301 N C 1.736 177.113 175.510 -0.222 0.000 1.068 301 N CA 0.198 53.144 53.050 -0.173 0.000 0.911 301 N CB -0.039 38.344 38.487 -0.174 0.000 0.961 301 N HN 0.261 nan 8.380 nan 0.000 0.446 302 R N 1.287 121.690 120.500 -0.162 0.000 2.105 302 R HA -0.155 4.185 4.340 -0.000 0.000 0.239 302 R C 1.863 178.055 176.300 -0.179 0.000 1.135 302 R CA 1.004 57.007 56.100 -0.161 0.000 0.967 302 R CB -0.587 29.663 30.300 -0.083 0.000 0.861 302 R HN 0.511 nan 8.270 nan 0.000 0.442 303 E N 0.186 120.294 120.200 -0.152 0.000 2.110 303 E HA -0.177 4.173 4.350 -0.000 0.000 0.193 303 E C 1.667 178.130 176.600 -0.230 0.000 0.988 303 E CA 1.015 57.321 56.400 -0.157 0.000 0.804 303 E CB 0.057 29.682 29.700 -0.125 0.000 0.745 303 E HN 0.084 nan 8.360 nan 0.000 0.458 304 I N 1.125 121.527 120.570 -0.280 0.000 2.193 304 I HA -0.258 3.912 4.170 -0.000 0.000 0.240 304 I C 2.666 178.481 176.117 -0.504 0.000 1.084 304 I CA 1.477 62.561 61.300 -0.359 0.000 1.365 304 I CB -0.881 36.886 38.000 -0.389 0.000 1.064 304 I HN 0.143 nan 8.210 nan 0.000 0.410 305 S N 1.150 116.455 115.700 -0.659 0.000 2.365 305 S HA -0.254 4.216 4.470 -0.000 0.000 0.225 305 S C 2.248 176.513 174.600 -0.558 0.000 1.039 305 S CA 1.242 58.856 58.200 -0.976 0.000 1.033 305 S CB -1.208 61.492 63.200 -0.833 0.000 0.887 305 S HN 0.405 nan 8.310 nan 0.000 0.447 306 A N 1.753 124.338 122.820 -0.392 0.000 1.902 306 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 306 A C 2.449 179.825 177.584 -0.347 0.000 1.181 306 A CA 2.064 53.891 52.037 -0.351 0.000 0.623 306 A CB -1.637 17.227 19.000 -0.227 0.000 0.818 306 A HN 0.582 nan 8.150 nan 0.000 0.443 307 T N -0.288 114.089 114.554 -0.295 0.000 2.708 307 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 307 T C 1.897 176.449 174.700 -0.246 0.000 1.037 307 T CA 1.588 63.542 62.100 -0.244 0.000 1.146 307 T CB -0.456 68.281 68.868 -0.219 0.000 0.865 307 T HN 0.161 nan 8.240 nan 0.000 0.435 308 V N 1.341 121.095 119.914 -0.268 0.000 2.295 308 V HA -0.158 3.961 4.120 -0.000 0.000 0.246 308 V C 2.683 178.652 176.094 -0.207 0.000 1.049 308 V CA 1.376 63.557 62.300 -0.198 0.000 1.024 308 V CB -0.792 30.956 31.823 -0.126 0.000 0.648 308 V HN 0.313 nan 8.190 nan 0.000 0.447 309 V N -0.601 119.129 119.914 -0.307 0.000 2.261 309 V HA -0.237 3.883 4.120 -0.000 0.000 0.246 309 V C 2.410 178.275 176.094 -0.381 0.000 1.047 309 V CA 1.661 63.683 62.300 -0.464 0.000 1.015 309 V CB -0.657 30.652 31.823 -0.856 0.000 0.642 309 V HN 0.371 nan 8.190 nan 0.000 0.446 310 L N 0.260 121.246 121.223 -0.394 0.000 2.042 310 L HA -0.200 4.140 4.340 -0.000 0.000 0.210 310 L C 2.447 179.205 176.870 -0.186 0.000 1.076 310 L CA 2.105 56.772 54.840 -0.288 0.000 0.749 310 L CB -1.207 40.699 42.059 -0.254 0.000 0.893 310 L HN 0.419 nan 8.230 nan 0.000 0.432 311 K N -0.943 119.339 120.400 -0.196 0.000 2.032 311 K HA -0.192 4.128 4.320 -0.000 0.000 0.209 311 K C 2.227 178.722 176.600 -0.174 0.000 1.048 311 K CA 1.138 57.310 56.287 -0.192 0.000 0.927 311 K CB 0.013 32.356 32.500 -0.263 0.000 0.712 311 K HN 0.139 nan 8.250 nan 0.000 0.441 312 R N 0.815 121.215 120.500 -0.167 0.000 2.083 312 R HA -0.122 4.218 4.340 -0.000 0.000 0.237 312 R C 2.491 178.735 176.300 -0.094 0.000 1.137 312 R CA 1.332 57.356 56.100 -0.126 0.000 0.951 312 R CB -0.975 29.263 30.300 -0.103 0.000 0.851 312 R HN 0.330 nan 8.270 nan 0.000 0.434 313 L N 0.695 121.865 121.223 -0.088 0.000 2.042 313 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 313 L C 2.606 179.458 176.870 -0.030 0.000 1.076 313 L CA 1.178 55.998 54.840 -0.033 0.000 0.749 313 L CB -0.510 41.544 42.059 -0.009 0.000 0.893 313 L HN 0.138 nan 8.230 nan 0.000 0.432 314 L N -0.515 120.678 121.223 -0.050 0.000 2.017 314 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 314 L C 2.569 179.410 176.870 -0.049 0.000 1.073 314 L CA 1.395 56.212 54.840 -0.037 0.000 0.745 314 L CB -0.521 41.512 42.059 -0.043 0.000 0.894 314 L HN 0.292 nan 8.230 nan 0.000 0.432 315 E N -0.326 119.826 120.200 -0.079 0.000 2.209 315 E HA -0.244 4.106 4.350 -0.000 0.000 0.196 315 E C 1.524 178.065 176.600 -0.099 0.000 0.993 315 E CA 0.940 57.285 56.400 -0.092 0.000 0.819 315 E CB -0.220 29.407 29.700 -0.121 0.000 0.745 315 E HN 0.439 nan 8.360 nan 0.000 0.477 316 N N 0.475 119.122 118.700 -0.088 0.000 2.280 316 N HA 0.026 4.766 4.740 -0.000 0.000 0.192 316 N C 0.006 175.488 175.510 -0.047 0.000 1.109 316 N CA -0.120 52.873 53.050 -0.096 0.000 0.855 316 N CB 0.399 38.840 38.487 -0.078 0.000 0.974 316 N HN 0.071 nan 8.380 nan 0.000 0.482 317 L N 2.589 123.795 121.223 -0.028 0.000 2.452 317 L HA 0.184 4.523 4.340 -0.000 0.000 0.267 317 L C -1.164 175.700 176.870 -0.009 0.000 1.188 317 L CA -1.232 53.605 54.840 -0.006 0.000 0.821 317 L CB 0.177 42.239 42.059 0.005 0.000 1.102 317 L HN 0.141 nan 8.230 nan 0.000 0.470 318 P HA 0.000 nan 4.420 nan 0.000 0.216 318 P CA 0.000 63.102 63.100 0.004 0.000 0.800 318 P CB 0.000 31.706 31.700 0.011 0.000 0.726