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 2zbk_1_F DATA FIRST_RESID 14 DATA SEQUENCE EFFKRNPELA GFPNPARALY QTVRELIENS LDATDVHGIL PNIKITIDLI DATA SEQUENCE DDARQIYKVN VVDNGIGIPP QEVPNAFGRV LYSSKYVNRQ TRGMYGLGVK DATA SEQUENCE AAVLYSQMHQ DKPIEIETSP VNSKRIYTFK LKIDINKNEP IIVERGSVEN DATA SEQUENCE TRGFHGTSVA ISIPGDWPKA KSRIYEYIKR TYIITPYAEF IFKDPEGNVT DATA SEQUENCE YYPRLTNKIP KPPQEVKPHP YGVDREEIKI LINNLKRDYT IKEFLVNEFQ DATA SEQUENCE SIGDTTADKI LELAGLKPNK KVKNLTEEEI TRLVETFKKD EDFRSPSADS DATA SEQUENCE LSVIGEDLIE LGLKKIFNPD FAASITRKPK AYQGHPFIVE AGVAFGGSIP DATA SEQUENCE VGEEPIVLRY ANKIPLIYDE KSDVIWKVVE ELDWKRYGIE SDQYQMVVMV DATA SEQUENCE HLCSTKIPYK SAGKESIAEV ENIEKEIKNA LMEVARKLKQ YLSEKRKEQE DATA SEQUENCE AKKKLLAYLK YIPEVSRSLA TFLASGNKEL VSKYQNEISE GLFKLISKKL DATA SEQUENCE DLINIE 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 14 E HA 0.000 nan 4.350 nan 0.000 0.291 14 E C 0.000 176.739 176.600 0.231 0.000 1.382 14 E CA 0.000 56.505 56.400 0.176 0.000 0.976 14 E CB 0.000 29.818 29.700 0.197 0.000 0.812 15 F N 1.890 121.901 119.950 0.101 0.000 2.163 15 F HA 0.105 4.632 4.527 0.001 0.000 0.297 15 F C 2.121 177.982 175.800 0.102 0.000 1.094 15 F CA 0.953 59.006 58.000 0.090 0.000 1.290 15 F CB -0.303 38.750 39.000 0.090 0.000 1.017 15 F HN 0.090 nan 8.300 nan 0.000 0.483 16 F N 1.357 121.280 119.950 -0.045 0.000 2.449 16 F HA -0.171 4.357 4.527 0.001 0.000 0.299 16 F C 1.962 177.670 175.800 -0.152 0.000 1.092 16 F CA 1.254 59.165 58.000 -0.148 0.000 1.446 16 F CB -0.456 38.496 39.000 -0.080 0.000 1.084 16 F HN -0.073 nan 8.300 nan 0.000 0.567 17 K N -0.280 120.101 120.400 -0.033 0.000 2.097 17 K HA -0.091 4.230 4.320 0.001 0.000 0.205 17 K C 1.866 178.370 176.600 -0.160 0.000 1.050 17 K CA 1.566 57.820 56.287 -0.054 0.000 0.938 17 K CB -0.037 32.466 32.500 0.004 0.000 0.718 17 K HN 0.263 nan 8.250 nan 0.000 0.442 18 R N -0.629 119.731 120.500 -0.233 0.000 2.369 18 R HA 0.162 4.502 4.340 0.001 0.000 0.210 18 R C 0.284 176.384 176.300 -0.333 0.000 0.881 18 R CA 0.010 55.976 56.100 -0.223 0.000 1.031 18 R CB 0.591 30.809 30.300 -0.137 0.000 1.184 18 R HN 0.044 nan 8.270 nan 0.000 0.581 19 N N 1.782 120.139 118.700 -0.572 0.000 3.194 19 N HA 0.137 4.877 4.740 0.001 0.000 0.271 19 N C -2.321 172.803 175.510 -0.642 0.000 1.308 19 N CA -1.176 51.494 53.050 -0.634 0.000 1.042 19 N CB 1.513 39.354 38.487 -1.076 0.000 1.310 19 N HN -0.012 nan 8.380 nan 0.000 0.502 20 P HA -0.147 nan 4.420 nan 0.000 0.214 20 P C 1.526 178.551 177.300 -0.459 0.000 1.162 20 P CA 0.994 63.563 63.100 -0.884 0.000 0.874 20 P CB 0.163 31.548 31.700 -0.526 0.000 0.784 21 E N 0.892 120.961 120.200 -0.219 0.000 2.284 21 E HA -0.194 4.156 4.350 0.001 0.000 0.200 21 E C 1.840 178.431 176.600 -0.015 0.000 1.008 21 E CA 1.220 57.572 56.400 -0.081 0.000 0.829 21 E CB -1.372 28.290 29.700 -0.063 0.000 0.744 21 E HN 0.287 nan 8.360 nan 0.000 0.491 22 L N 0.337 121.552 121.223 -0.015 0.000 2.056 22 L HA -0.045 4.295 4.340 0.001 0.000 0.207 22 L C 2.539 179.508 176.870 0.165 0.000 1.078 22 L CA 1.313 56.211 54.840 0.096 0.000 0.749 22 L CB -0.427 41.718 42.059 0.144 0.000 0.901 22 L HN 0.192 nan 8.230 nan 0.000 0.433 23 A N -0.829 122.086 122.820 0.158 0.000 2.275 23 A HA 0.371 4.692 4.320 0.001 0.000 0.212 23 A C 1.428 179.017 177.584 0.008 0.000 1.201 23 A CA 0.692 52.670 52.037 -0.099 0.000 0.843 23 A CB -0.070 18.815 19.000 -0.190 0.000 0.873 23 A HN 0.521 nan 8.150 nan 0.000 0.492 24 G N -1.950 106.911 108.800 0.101 0.000 2.145 24 G HA2 -0.156 3.804 3.960 0.001 0.000 0.145 24 G HA3 -0.156 3.804 3.960 0.001 0.000 0.145 24 G C -0.171 174.517 174.900 -0.354 0.000 1.017 24 G CA -0.181 44.852 45.100 -0.111 0.000 0.682 24 G HN 0.363 nan 8.290 nan 0.000 0.504 25 F N 0.906 120.835 119.950 -0.033 0.000 2.542 25 F HA 0.350 4.878 4.527 0.001 0.000 0.323 25 F C -0.700 175.010 175.800 -0.150 0.000 1.411 25 F CA -1.651 56.269 58.000 -0.134 0.000 1.124 25 F CB 1.459 40.404 39.000 -0.092 0.000 1.331 25 F HN -0.016 nan 8.300 nan 0.000 0.560 26 P HA -0.063 nan 4.420 nan 0.000 0.216 26 P C -0.626 176.676 177.300 0.002 0.000 1.153 26 P CA 1.297 64.380 63.100 -0.028 0.000 0.844 26 P CB 0.288 31.955 31.700 -0.054 0.000 0.787 27 N N -4.018 114.684 118.700 0.004 0.000 2.591 27 N HA 0.259 4.999 4.740 0.001 0.000 0.263 27 N C -2.638 172.905 175.510 0.055 0.000 1.308 27 N CA -2.128 50.942 53.050 0.032 0.000 0.837 27 N CB -0.148 38.345 38.487 0.009 0.000 1.548 27 N HN -0.351 nan 8.380 nan 0.000 0.493 28 P HA -0.367 nan 4.420 nan 0.000 0.222 28 P C 1.082 178.447 177.300 0.108 0.000 1.147 28 P CA 3.249 66.434 63.100 0.141 0.000 0.958 28 P CB -0.261 31.504 31.700 0.109 0.000 0.788 29 A N -0.566 122.292 122.820 0.064 0.000 1.835 29 A HA -0.218 4.103 4.320 0.001 0.000 0.215 29 A C 2.317 179.904 177.584 0.006 0.000 1.199 29 A CA 1.825 53.886 52.037 0.039 0.000 0.615 29 A CB -1.165 17.846 19.000 0.019 0.000 0.838 29 A HN 0.020 nan 8.150 nan 0.000 0.444 30 R N -0.384 120.090 120.500 -0.043 0.000 2.211 30 R HA -0.157 4.184 4.340 0.001 0.000 0.240 30 R C 2.236 178.460 176.300 -0.127 0.000 1.144 30 R CA 1.231 57.267 56.100 -0.107 0.000 0.992 30 R CB -0.745 29.441 30.300 -0.189 0.000 0.869 30 R HN 0.577 nan 8.270 nan 0.000 0.462 31 A N 0.769 123.507 122.820 -0.135 0.000 1.929 31 A HA -0.109 4.212 4.320 0.001 0.000 0.216 31 A C 2.169 179.695 177.584 -0.097 0.000 1.176 31 A CA 0.622 52.524 52.037 -0.225 0.000 0.628 31 A CB -0.333 18.586 19.000 -0.135 0.000 0.816 31 A HN 0.212 nan 8.150 nan 0.000 0.444 32 L N -1.230 119.999 121.223 0.009 0.000 1.970 32 L HA -0.219 4.122 4.340 0.001 0.000 0.212 32 L C 2.425 179.295 176.870 -0.000 0.000 1.071 32 L CA 2.641 57.502 54.840 0.036 0.000 0.751 32 L CB -0.813 41.264 42.059 0.031 0.000 0.889 32 L HN 0.577 nan 8.230 nan 0.000 0.432 33 Y N -0.041 120.191 120.300 -0.113 0.000 2.102 33 Y HA -0.401 4.150 4.550 0.001 0.000 0.280 33 Y C 2.634 178.385 175.900 -0.249 0.000 1.178 33 Y CA 2.364 60.370 58.100 -0.156 0.000 1.146 33 Y CB -0.626 37.753 38.460 -0.135 0.000 0.968 33 Y HN 0.409 nan 8.280 nan 0.000 0.504 34 Q N 0.235 119.726 119.800 -0.514 0.000 1.921 34 Q HA -0.179 4.161 4.340 0.001 0.000 0.208 34 Q C 2.347 178.076 176.000 -0.452 0.000 0.994 34 Q CA 3.239 58.633 55.803 -0.682 0.000 0.857 34 Q CB -1.067 27.151 28.738 -0.867 0.000 0.925 34 Q HN 0.533 nan 8.270 nan 0.000 0.421 35 T N 0.007 114.431 114.554 -0.218 0.000 2.680 35 T HA -0.212 4.138 4.350 0.001 0.000 0.268 35 T C 1.763 176.407 174.700 -0.094 0.000 1.033 35 T CA 1.632 63.708 62.100 -0.040 0.000 1.152 35 T CB -0.555 68.368 68.868 0.092 0.000 0.859 35 T HN 0.130 nan 8.240 nan 0.000 0.452 36 V N 2.302 122.118 119.914 -0.164 0.000 2.270 36 V HA -0.197 3.923 4.120 0.001 0.000 0.245 36 V C 2.485 178.422 176.094 -0.262 0.000 1.043 36 V CA 2.163 64.373 62.300 -0.149 0.000 1.014 36 V CB -0.639 31.108 31.823 -0.128 0.000 0.645 36 V HN 0.594 nan 8.190 nan 0.000 0.447 37 R N 0.313 120.459 120.500 -0.591 0.000 2.339 37 R HA -0.012 4.329 4.340 0.001 0.000 0.199 37 R C 1.624 177.762 176.300 -0.270 0.000 1.018 37 R CA 1.001 56.662 56.100 -0.731 0.000 1.036 37 R CB -0.277 29.199 30.300 -1.373 0.000 0.899 37 R HN 0.491 nan 8.270 nan 0.000 0.473 38 E N 1.188 121.276 120.200 -0.187 0.000 2.140 38 E HA 0.008 4.359 4.350 0.001 0.000 0.191 38 E C 2.030 178.635 176.600 0.008 0.000 0.973 38 E CA 0.606 56.968 56.400 -0.062 0.000 0.829 38 E CB 0.067 29.744 29.700 -0.038 0.000 0.781 38 E HN 0.376 nan 8.360 nan 0.000 0.466 39 L N 0.514 121.750 121.223 0.022 0.000 2.072 39 L HA -0.120 4.221 4.340 0.001 0.000 0.205 39 L C 2.428 179.364 176.870 0.110 0.000 1.079 39 L CA 0.661 55.546 54.840 0.075 0.000 0.752 39 L CB -0.327 41.785 42.059 0.089 0.000 0.906 39 L HN 0.067 nan 8.230 nan 0.000 0.436 40 I N -0.342 120.310 120.570 0.136 0.000 2.113 40 I HA -0.267 3.904 4.170 0.001 0.000 0.238 40 I C 2.550 178.777 176.117 0.184 0.000 1.070 40 I CA 1.267 62.690 61.300 0.205 0.000 1.332 40 I CB -0.449 37.733 38.000 0.304 0.000 1.044 40 I HN 0.184 nan 8.210 nan 0.000 0.402 41 E N 0.766 121.074 120.200 0.181 0.000 2.132 41 E HA -0.329 4.022 4.350 0.001 0.000 0.218 41 E C 2.002 178.671 176.600 0.115 0.000 1.058 41 E CA 2.113 58.600 56.400 0.146 0.000 0.882 41 E CB -0.514 29.250 29.700 0.108 0.000 0.774 41 E HN 0.489 nan 8.360 nan 0.000 0.467 42 N N 0.070 118.825 118.700 0.092 0.000 2.084 42 N HA -0.086 4.654 4.740 0.001 0.000 0.190 42 N C 1.991 177.557 175.510 0.094 0.000 1.030 42 N CA 0.975 54.070 53.050 0.075 0.000 0.849 42 N CB -0.556 37.959 38.487 0.047 0.000 1.012 42 N HN -0.020 nan 8.380 nan 0.000 0.423 43 S N 0.968 116.735 115.700 0.112 0.000 2.383 43 S HA 0.008 4.479 4.470 0.001 0.000 0.229 43 S C 2.042 176.715 174.600 0.121 0.000 1.030 43 S CA 0.533 58.803 58.200 0.117 0.000 1.002 43 S CB -0.162 63.118 63.200 0.134 0.000 0.829 43 S HN 0.233 nan 8.310 nan 0.000 0.467 44 L N 1.175 122.481 121.223 0.139 0.000 1.961 44 L HA -0.153 4.187 4.340 0.001 0.000 0.210 44 L C 1.837 178.788 176.870 0.136 0.000 1.072 44 L CA 1.364 56.290 54.840 0.143 0.000 0.749 44 L CB -0.690 41.466 42.059 0.162 0.000 0.889 44 L HN 0.166 nan 8.230 nan 0.000 0.432 45 D N -0.091 120.384 120.400 0.125 0.000 2.417 45 D HA -0.129 4.512 4.640 0.001 0.000 0.225 45 D C 1.324 177.719 176.300 0.157 0.000 0.983 45 D CA 0.955 55.026 54.000 0.119 0.000 0.949 45 D CB 0.106 40.963 40.800 0.095 0.000 0.879 45 D HN 0.331 nan 8.370 nan 0.000 0.520 46 A N -0.770 122.136 122.820 0.143 0.000 2.430 46 A HA 0.232 4.552 4.320 0.001 0.000 0.243 46 A C 1.680 179.338 177.584 0.125 0.000 1.254 46 A CA 0.726 52.839 52.037 0.127 0.000 0.914 46 A CB 0.289 19.328 19.000 0.064 0.000 0.998 46 A HN 0.271 nan 8.150 nan 0.000 0.515 47 T N -3.081 111.565 114.554 0.153 0.000 3.425 47 T HA 0.004 4.355 4.350 0.001 0.000 0.225 47 T C 1.365 176.144 174.700 0.131 0.000 0.992 47 T CA 0.763 62.939 62.100 0.127 0.000 1.174 47 T CB -0.590 68.339 68.868 0.102 0.000 1.240 47 T HN 0.244 nan 8.240 nan 0.000 0.350 48 D N 1.842 122.320 120.400 0.129 0.000 2.351 48 D HA -0.055 4.586 4.640 0.001 0.000 0.216 48 D C 1.644 177.950 176.300 0.011 0.000 0.968 48 D CA 0.618 54.671 54.000 0.088 0.000 0.899 48 D CB -0.276 40.658 40.800 0.223 0.000 0.907 48 D HN 0.423 nan 8.370 nan 0.000 0.514 49 V N 0.198 120.121 119.914 0.015 0.000 3.506 49 V HA -0.009 4.111 4.120 0.001 0.000 0.263 49 V C 1.367 177.274 176.094 -0.312 0.000 1.203 49 V CA 0.529 62.748 62.300 -0.135 0.000 1.133 49 V CB -0.569 31.158 31.823 -0.161 0.000 0.802 49 V HN 0.358 nan 8.190 nan 0.000 0.459 50 H N 0.096 119.155 119.070 -0.019 0.000 2.784 50 H HA 0.359 4.916 4.556 0.001 0.000 0.273 50 H C 1.528 176.833 175.328 -0.038 0.000 1.112 50 H CA 0.704 56.733 56.048 -0.032 0.000 1.162 50 H CB 0.969 30.707 29.762 -0.039 0.000 1.586 50 H HN 0.444 nan 8.280 nan 0.000 0.548 51 G N 1.881 110.700 108.800 0.032 0.000 2.370 51 G HA2 -0.218 3.742 3.960 0.001 0.000 0.268 51 G HA3 -0.218 3.742 3.960 0.001 0.000 0.268 51 G C -0.589 174.318 174.900 0.012 0.000 1.122 51 G CA -0.092 45.004 45.100 -0.007 0.000 0.963 51 G HN 0.226 nan 8.290 nan 0.000 0.500 52 I N -0.657 119.930 120.570 0.029 0.000 2.686 52 I HA 0.447 4.617 4.170 0.001 0.000 0.295 52 I C 0.463 176.616 176.117 0.060 0.000 1.114 52 I CA -1.110 60.217 61.300 0.046 0.000 1.038 52 I CB 1.836 39.874 38.000 0.063 0.000 1.238 52 I HN 0.070 nan 8.210 nan 0.000 0.420 53 L N 7.017 128.279 121.223 0.065 0.000 2.530 53 L HA 0.251 4.592 4.340 0.001 0.000 0.273 53 L C -1.976 174.939 176.870 0.075 0.000 1.141 53 L CA -1.381 53.514 54.840 0.090 0.000 0.905 53 L CB -0.250 41.857 42.059 0.080 0.000 1.202 53 L HN 0.311 nan 8.230 nan 0.000 0.473 54 P HA 0.127 nan 4.420 nan 0.000 0.275 54 P C -0.936 176.319 177.300 -0.075 0.000 1.228 54 P CA -0.465 62.640 63.100 0.008 0.000 0.786 54 P CB 0.953 32.651 31.700 -0.003 0.000 0.927 55 N N 1.933 120.605 118.700 -0.046 0.000 2.791 55 N HA 0.317 5.058 4.740 0.001 0.000 0.265 55 N C -0.729 174.765 175.510 -0.026 0.000 1.580 55 N CA -0.317 52.702 53.050 -0.053 0.000 0.809 55 N CB -0.338 38.167 38.487 0.031 0.000 1.178 55 N HN 0.261 nan 8.380 nan 0.000 0.499 56 I N 0.922 121.426 120.570 -0.110 0.000 2.519 56 I HA 0.183 4.354 4.170 0.001 0.000 0.287 56 I C 0.349 176.550 176.117 0.140 0.000 1.047 56 I CA -0.029 61.297 61.300 0.043 0.000 1.381 56 I CB 0.633 38.700 38.000 0.112 0.000 1.417 56 I HN 0.057 nan 8.210 nan 0.000 0.540 57 K N 7.076 127.578 120.400 0.169 0.000 2.426 57 K HA 0.665 4.985 4.320 0.001 0.000 0.254 57 K C -1.254 175.464 176.600 0.197 0.000 0.936 57 K CA -0.463 55.938 56.287 0.190 0.000 0.801 57 K CB 1.957 34.538 32.500 0.136 0.000 1.139 57 K HN 0.408 nan 8.250 nan 0.000 0.424 58 I N 2.172 122.891 120.570 0.247 0.000 2.420 58 I HA 0.212 4.382 4.170 0.001 0.000 0.282 58 I C -0.227 175.986 176.117 0.160 0.000 1.019 58 I CA -0.746 60.706 61.300 0.253 0.000 1.130 58 I CB 1.640 39.868 38.000 0.379 0.000 1.262 58 I HN 0.586 nan 8.210 nan 0.000 0.454 59 T N 4.631 119.216 114.554 0.052 0.000 2.812 59 T HA 0.713 5.063 4.350 0.001 0.000 0.282 59 T C -0.596 174.057 174.700 -0.078 0.000 0.990 59 T CA -0.556 61.492 62.100 -0.087 0.000 0.960 59 T CB 1.467 70.291 68.868 -0.073 0.000 0.948 59 T HN 0.360 nan 8.240 nan 0.000 0.438 60 I N 2.869 123.326 120.570 -0.189 0.000 2.377 60 I HA 0.482 4.653 4.170 0.001 0.000 0.293 60 I C -0.552 175.465 176.117 -0.167 0.000 0.987 60 I CA -0.760 60.453 61.300 -0.146 0.000 1.185 60 I CB 1.728 39.603 38.000 -0.208 0.000 1.341 60 I HN 0.639 nan 8.210 nan 0.000 0.455 61 D N 4.652 125.023 120.400 -0.049 0.000 2.419 61 D HA 0.542 5.182 4.640 0.001 0.000 0.234 61 D C -1.193 175.119 176.300 0.021 0.000 1.014 61 D CA -0.345 53.629 54.000 -0.044 0.000 0.919 61 D CB 2.416 43.191 40.800 -0.042 0.000 1.366 61 D HN 0.118 nan 8.370 nan 0.000 0.490 62 L N 2.330 123.529 121.223 -0.041 0.000 2.295 62 L HA 0.404 4.745 4.340 0.001 0.000 0.281 62 L C -0.036 176.761 176.870 -0.120 0.000 1.018 62 L CA -0.330 54.433 54.840 -0.128 0.000 0.841 62 L CB 0.853 42.849 42.059 -0.104 0.000 1.218 62 L HN 0.496 nan 8.230 nan 0.000 0.424 63 I N 0.071 120.560 120.570 -0.135 0.000 4.018 63 I HA 0.540 4.711 4.170 0.001 0.000 0.337 63 I C -0.339 175.724 176.117 -0.090 0.000 1.327 63 I CA 0.267 61.515 61.300 -0.087 0.000 1.100 63 I CB 0.340 38.306 38.000 -0.058 0.000 1.025 63 I HN 0.387 nan 8.210 nan 0.000 0.396 64 D N 0.210 120.532 120.400 -0.129 0.000 2.861 64 D HA 0.127 4.768 4.640 0.001 0.000 0.216 64 D C -0.296 175.931 176.300 -0.123 0.000 1.323 64 D CA -0.189 53.750 54.000 -0.102 0.000 0.917 64 D CB 2.011 42.763 40.800 -0.080 0.000 1.582 64 D HN 0.091 nan 8.370 nan 0.000 0.576 65 D N 2.243 122.596 120.400 -0.079 0.000 2.162 65 D HA 0.052 4.693 4.640 0.001 0.000 0.205 65 D C 1.796 178.071 176.300 -0.041 0.000 0.964 65 D CA 1.326 55.289 54.000 -0.061 0.000 0.847 65 D CB 0.381 41.163 40.800 -0.030 0.000 0.988 65 D HN 0.347 nan 8.370 nan 0.000 0.480 66 A N 0.419 123.220 122.820 -0.031 0.000 1.883 66 A HA -0.151 4.169 4.320 0.001 0.000 0.217 66 A C 2.202 179.778 177.584 -0.014 0.000 1.186 66 A CA 1.492 53.520 52.037 -0.016 0.000 0.624 66 A CB -0.451 18.541 19.000 -0.013 0.000 0.822 66 A HN 0.243 nan 8.150 nan 0.000 0.444 67 R N -1.518 118.965 120.500 -0.028 0.000 2.312 67 R HA 0.110 4.451 4.340 0.001 0.000 0.205 67 R C -0.435 175.850 176.300 -0.025 0.000 0.904 67 R CA 0.118 56.207 56.100 -0.018 0.000 1.052 67 R CB 0.346 30.637 30.300 -0.015 0.000 1.014 67 R HN 0.431 nan 8.270 nan 0.000 0.503 68 Q N 0.901 120.659 119.800 -0.070 0.000 2.451 68 Q HA -0.167 4.173 4.340 0.001 0.000 0.334 68 Q C -0.945 174.948 176.000 -0.178 0.000 1.462 68 Q CA 0.882 56.614 55.803 -0.118 0.000 0.876 68 Q CB -1.245 27.527 28.738 0.056 0.000 1.125 68 Q HN 0.288 nan 8.270 nan 0.000 0.358 69 I N 1.501 121.878 120.570 -0.322 0.000 2.433 69 I HA 0.445 4.615 4.170 0.001 0.000 0.292 69 I C 0.339 176.227 176.117 -0.381 0.000 1.001 69 I CA -0.643 60.535 61.300 -0.204 0.000 1.119 69 I CB 1.209 39.156 38.000 -0.087 0.000 1.289 69 I HN 0.163 nan 8.210 nan 0.000 0.438 70 Y N 3.484 123.814 120.300 0.049 0.000 2.630 70 Y HA 0.504 5.055 4.550 0.001 0.000 0.337 70 Y C 0.283 176.199 175.900 0.027 0.000 1.051 70 Y CA -0.972 57.144 58.100 0.026 0.000 1.121 70 Y CB 1.814 40.297 38.460 0.037 0.000 1.299 70 Y HN 0.360 nan 8.280 nan 0.000 0.498 71 K N 1.595 122.102 120.400 0.178 0.000 2.626 71 K HA 0.498 4.818 4.320 0.001 0.000 0.223 71 K C -1.914 174.736 176.600 0.083 0.000 0.992 71 K CA -0.293 56.054 56.287 0.100 0.000 1.024 71 K CB 0.732 33.261 32.500 0.049 0.000 1.225 71 K HN 0.512 nan 8.250 nan 0.000 0.498 72 V N 3.294 123.267 119.914 0.098 0.000 2.637 72 V HA 0.185 4.306 4.120 0.001 0.000 0.296 72 V C 0.223 176.364 176.094 0.079 0.000 1.046 72 V CA -0.336 62.014 62.300 0.084 0.000 1.066 72 V CB 1.007 32.887 31.823 0.094 0.000 0.968 72 V HN 0.781 nan 8.190 nan 0.000 0.483 73 N N 2.932 121.678 118.700 0.077 0.000 2.478 73 N HA 0.494 5.235 4.740 0.001 0.000 0.291 73 N C -1.936 173.634 175.510 0.100 0.000 1.090 73 N CA -0.326 52.770 53.050 0.077 0.000 0.911 73 N CB 2.298 40.816 38.487 0.052 0.000 1.546 73 N HN 0.423 nan 8.380 nan 0.000 0.500 74 V N 3.268 123.248 119.914 0.111 0.000 2.540 74 V HA 0.541 4.662 4.120 0.001 0.000 0.302 74 V C -0.522 175.648 176.094 0.126 0.000 1.035 74 V CA -0.546 61.832 62.300 0.130 0.000 0.873 74 V CB 1.866 33.773 31.823 0.140 0.000 0.992 74 V HN 0.393 nan 8.190 nan 0.000 0.428 75 V N 5.520 125.512 119.914 0.130 0.000 2.482 75 V HA 0.501 4.622 4.120 0.001 0.000 0.295 75 V C -0.725 175.450 176.094 0.135 0.000 1.026 75 V CA -0.643 61.735 62.300 0.130 0.000 0.856 75 V CB 1.882 33.772 31.823 0.111 0.000 1.001 75 V HN 1.029 nan 8.190 nan 0.000 0.424 76 D N 3.753 124.239 120.400 0.144 0.000 2.621 76 D HA 0.345 4.986 4.640 0.001 0.000 0.255 76 D C -0.219 176.176 176.300 0.159 0.000 1.122 76 D CA -0.729 53.349 54.000 0.129 0.000 1.096 76 D CB 1.415 42.281 40.800 0.110 0.000 1.282 76 D HN 0.434 nan 8.370 nan 0.000 0.619 77 N N -1.200 117.582 118.700 0.137 0.000 2.282 77 N HA 0.193 4.934 4.740 0.001 0.000 0.240 77 N C 0.602 176.212 175.510 0.165 0.000 1.182 77 N CA -0.561 52.590 53.050 0.168 0.000 0.874 77 N CB 0.615 39.195 38.487 0.154 0.000 1.126 77 N HN 0.475 nan 8.380 nan 0.000 0.516 78 G N 1.039 109.897 108.800 0.096 0.000 2.553 78 G HA2 0.365 4.326 3.960 0.001 0.000 0.278 78 G HA3 0.365 4.326 3.960 0.001 0.000 0.278 78 G C 1.232 176.100 174.900 -0.055 0.000 1.349 78 G CA -0.276 44.843 45.100 0.031 0.000 1.037 78 G HN 0.218 nan 8.290 nan 0.000 0.508 79 I N -1.420 119.063 120.570 -0.145 0.000 2.094 79 I HA 0.403 4.574 4.170 0.001 0.000 0.234 79 I C 1.219 177.252 176.117 -0.140 0.000 1.063 79 I CA 0.976 62.139 61.300 -0.230 0.000 1.328 79 I CB -0.944 36.868 38.000 -0.315 0.000 1.058 79 I HN 1.068 nan 8.210 nan 0.000 0.400 80 G N 0.945 109.690 108.800 -0.092 0.000 2.462 80 G HA2 0.012 3.972 3.960 0.001 0.000 0.685 80 G HA3 0.012 3.972 3.960 0.001 0.000 0.685 80 G C -0.780 174.107 174.900 -0.022 0.000 1.295 80 G CA -0.409 44.672 45.100 -0.032 0.000 0.941 80 G HN 0.561 nan 8.290 nan 0.000 0.554 81 I N 0.808 121.390 120.570 0.020 0.000 2.365 81 I HA 0.364 4.535 4.170 0.001 0.000 0.291 81 I C -2.032 174.107 176.117 0.038 0.000 1.004 81 I CA -2.082 59.227 61.300 0.016 0.000 1.311 81 I CB 1.548 39.560 38.000 0.022 0.000 1.401 81 I HN 0.145 nan 8.210 nan 0.000 0.491 82 P HA 0.028 nan 4.420 nan 0.000 0.257 82 P C -1.884 175.433 177.300 0.028 0.000 1.189 82 P CA -0.790 62.329 63.100 0.032 0.000 0.780 82 P CB -0.025 31.681 31.700 0.009 0.000 0.772 83 P HA -0.324 nan 4.420 nan 0.000 0.222 83 P C 1.556 178.888 177.300 0.052 0.000 1.159 83 P CA 1.858 64.995 63.100 0.062 0.000 0.920 83 P CB -0.276 31.326 31.700 -0.163 0.000 0.793 84 Q N 0.372 120.183 119.800 0.018 0.000 2.291 84 Q HA -0.171 4.169 4.340 0.001 0.000 0.206 84 Q C 1.232 177.241 176.000 0.016 0.000 0.976 84 Q CA 1.593 57.413 55.803 0.029 0.000 0.875 84 Q CB -0.946 27.797 28.738 0.007 0.000 0.927 84 Q HN 0.398 nan 8.270 nan 0.000 0.450 85 E N 0.482 120.679 120.200 -0.005 0.000 2.437 85 E HA 0.090 4.441 4.350 0.001 0.000 0.189 85 E C 1.475 178.060 176.600 -0.025 0.000 1.054 85 E CA -0.156 56.237 56.400 -0.012 0.000 0.874 85 E CB 0.420 30.112 29.700 -0.014 0.000 1.011 85 E HN 0.122 nan 8.360 nan 0.000 0.474 86 V N 1.502 121.365 119.914 -0.085 0.000 2.244 86 V HA -0.181 3.940 4.120 0.001 0.000 0.244 86 V C -0.815 175.293 176.094 0.024 0.000 1.042 86 V CA 1.857 64.060 62.300 -0.162 0.000 1.006 86 V CB -1.067 30.259 31.823 -0.829 0.000 0.641 86 V HN 0.244 nan 8.190 nan 0.000 0.446 87 P HA -0.101 nan 4.420 nan 0.000 0.215 87 P C 0.841 178.179 177.300 0.064 0.000 1.157 87 P CA 1.283 64.421 63.100 0.063 0.000 0.868 87 P CB -0.192 31.545 31.700 0.062 0.000 0.788 88 N N -1.237 117.480 118.700 0.028 0.000 2.471 88 N HA 0.096 4.837 4.740 0.001 0.000 0.205 88 N C 0.935 176.424 175.510 -0.034 0.000 1.251 88 N CA 0.468 53.517 53.050 -0.002 0.000 0.843 88 N CB -0.465 38.018 38.487 -0.006 0.000 1.044 88 N HN 0.147 nan 8.380 nan 0.000 0.461 89 A N -1.535 121.267 122.820 -0.031 0.000 2.048 89 A HA 0.317 4.638 4.320 0.001 0.000 0.197 89 A C 1.198 178.582 177.584 -0.332 0.000 1.486 89 A CA -0.030 51.889 52.037 -0.197 0.000 1.029 89 A CB 0.123 18.966 19.000 -0.262 0.000 1.101 89 A HN 0.155 nan 8.150 nan 0.000 0.470 90 F N -0.400 119.507 119.950 -0.071 0.000 2.514 90 F HA 0.254 4.782 4.527 0.001 0.000 0.281 90 F C 2.485 178.250 175.800 -0.059 0.000 1.060 90 F CA 0.944 58.906 58.000 -0.062 0.000 1.397 90 F CB -0.110 38.853 39.000 -0.062 0.000 1.129 90 F HN 0.264 nan 8.300 nan 0.000 0.620 91 G N -0.055 108.823 108.800 0.129 0.000 2.411 91 G HA2 -0.062 3.899 3.960 0.001 0.000 0.213 91 G HA3 -0.062 3.899 3.960 0.001 0.000 0.213 91 G C 0.723 175.618 174.900 -0.008 0.000 1.166 91 G CA -0.263 44.868 45.100 0.052 0.000 0.802 91 G HN 0.046 nan 8.290 nan 0.000 0.533 92 R N 0.616 121.100 120.500 -0.027 0.000 2.489 92 R HA 0.293 4.634 4.340 0.001 0.000 0.287 92 R C -0.843 175.390 176.300 -0.113 0.000 1.053 92 R CA -0.243 55.814 56.100 -0.072 0.000 1.036 92 R CB 0.631 30.889 30.300 -0.070 0.000 0.966 92 R HN -0.025 nan 8.270 nan 0.000 0.432 93 V N 7.297 127.118 119.914 -0.156 0.000 2.368 93 V HA 0.124 4.244 4.120 0.001 0.000 0.266 93 V C 0.491 176.418 176.094 -0.279 0.000 1.045 93 V CA -0.397 61.790 62.300 -0.188 0.000 0.899 93 V CB 1.095 32.816 31.823 -0.170 0.000 1.006 93 V HN 0.692 nan 8.190 nan 0.000 0.470 94 L N 6.320 127.429 121.223 -0.190 0.000 2.407 94 L HA 0.202 4.542 4.340 0.001 0.000 0.282 94 L C 0.974 177.796 176.870 -0.080 0.000 1.110 94 L CA -0.104 54.645 54.840 -0.151 0.000 0.863 94 L CB 0.463 42.483 42.059 -0.064 0.000 1.207 94 L HN 0.690 nan 8.230 nan 0.000 0.454 95 Y N 1.809 122.117 120.300 0.014 0.000 1.940 95 Y HA -0.298 4.253 4.550 0.001 0.000 0.250 95 Y C 1.861 177.780 175.900 0.032 0.000 1.132 95 Y CA 1.552 59.667 58.100 0.024 0.000 1.079 95 Y CB -0.632 37.841 38.460 0.022 0.000 0.940 95 Y HN 0.658 nan 8.280 nan 0.000 0.490 96 S N -1.674 114.164 115.700 0.230 0.000 2.768 96 S HA 0.517 4.988 4.470 0.001 0.000 0.300 96 S C -0.165 174.504 174.600 0.115 0.000 1.122 96 S CA -0.639 57.649 58.200 0.147 0.000 0.995 96 S CB 1.662 64.936 63.200 0.125 0.000 1.195 96 S HN 0.087 nan 8.310 nan 0.000 0.547 97 S N 1.327 117.093 115.700 0.109 0.000 2.514 97 S HA 0.291 4.761 4.470 0.001 0.000 0.179 97 S C -0.620 174.055 174.600 0.125 0.000 1.409 97 S CA -0.794 57.469 58.200 0.105 0.000 1.138 97 S CB -0.322 62.940 63.200 0.104 0.000 1.217 97 S HN 0.501 nan 8.310 nan 0.000 0.493 98 K N 2.552 123.021 120.400 0.116 0.000 2.326 98 K HA -0.190 4.131 4.320 0.001 0.000 0.245 98 K C 0.053 176.758 176.600 0.176 0.000 1.229 98 K CA 0.358 56.722 56.287 0.130 0.000 1.238 98 K CB -0.569 31.986 32.500 0.090 0.000 0.730 98 K HN 0.711 nan 8.250 nan 0.000 0.524 99 Y N 1.798 122.139 120.300 0.068 0.000 3.079 99 Y HA -0.273 4.277 4.550 0.001 0.000 0.368 99 Y C 0.326 176.281 175.900 0.092 0.000 1.224 99 Y CA -0.380 57.775 58.100 0.091 0.000 1.599 99 Y CB 0.351 38.869 38.460 0.097 0.000 1.098 99 Y HN 0.245 nan 8.280 nan 0.000 0.588 100 V N 6.728 126.619 119.914 -0.038 0.000 2.649 100 V HA 0.073 4.194 4.120 0.001 0.000 0.292 100 V C 0.263 176.128 176.094 -0.381 0.000 1.055 100 V CA -0.501 61.721 62.300 -0.131 0.000 1.023 100 V CB 1.526 33.384 31.823 0.060 0.000 0.992 100 V HN 0.870 nan 8.190 nan 0.000 0.480 101 N N 2.528 121.085 118.700 -0.239 0.000 2.118 101 N HA 0.134 4.875 4.740 0.001 0.000 0.226 101 N C 0.091 175.522 175.510 -0.131 0.000 1.305 101 N CA -0.147 52.757 53.050 -0.244 0.000 0.890 101 N CB 0.992 39.346 38.487 -0.223 0.000 1.118 101 N HN 0.843 nan 8.380 nan 0.000 0.511 102 R N 0.013 120.466 120.500 -0.078 0.000 2.604 102 R HA 0.291 4.632 4.340 0.001 0.000 0.270 102 R C -0.894 175.403 176.300 -0.005 0.000 1.052 102 R CA -0.652 55.423 56.100 -0.041 0.000 0.902 102 R CB 1.396 31.671 30.300 -0.042 0.000 1.233 102 R HN -0.144 nan 8.270 nan 0.000 0.455 103 Q N 2.137 121.946 119.800 0.016 0.000 2.286 103 Q HA 0.093 4.434 4.340 0.001 0.000 0.290 103 Q C -0.771 175.257 176.000 0.046 0.000 1.049 103 Q CA 0.863 56.696 55.803 0.050 0.000 0.923 103 Q CB 0.700 29.476 28.738 0.063 0.000 1.183 103 Q HN 0.773 nan 8.270 nan 0.000 0.383 104 T N 1.165 115.758 114.554 0.064 0.000 2.883 104 T HA 0.575 4.925 4.350 0.001 0.000 0.296 104 T C -0.610 174.139 174.700 0.081 0.000 1.117 104 T CA -1.100 61.037 62.100 0.062 0.000 1.006 104 T CB 1.245 70.144 68.868 0.052 0.000 1.191 104 T HN 0.673 nan 8.240 nan 0.000 0.508 105 R N 0.176 120.725 120.500 0.081 0.000 2.490 105 R HA 0.593 4.934 4.340 0.001 0.000 0.280 105 R C 0.443 176.787 176.300 0.073 0.000 1.077 105 R CA 0.220 56.374 56.100 0.089 0.000 1.065 105 R CB 0.834 31.192 30.300 0.097 0.000 1.003 105 R HN 1.264 nan 8.270 nan 0.000 0.470 106 G N 2.841 111.682 108.800 0.067 0.000 2.949 106 G HA2 -0.133 3.827 3.960 0.001 0.000 0.658 106 G HA3 -0.133 3.827 3.960 0.001 0.000 0.658 106 G C 0.353 175.252 174.900 -0.002 0.000 1.194 106 G CA -0.735 44.389 45.100 0.042 0.000 1.204 106 G HN 0.525 nan 8.290 nan 0.000 0.524 107 M N 0.644 120.190 119.600 -0.089 0.000 7.570 107 M HA -0.220 4.261 4.480 0.001 0.000 0.377 107 M C 2.061 178.217 176.300 -0.239 0.000 0.911 107 M CA 2.124 57.221 55.300 -0.338 0.000 1.058 107 M CB -0.634 31.550 32.600 -0.693 0.000 1.036 107 M HN 0.633 nan 8.290 nan 0.000 1.106 108 Y N -0.957 119.287 120.300 -0.094 0.000 2.815 108 Y HA 0.008 4.558 4.550 0.001 0.000 0.509 108 Y C 1.706 177.595 175.900 -0.018 0.000 1.318 108 Y CA 0.657 58.727 58.100 -0.051 0.000 2.179 108 Y CB -0.732 37.711 38.460 -0.028 0.000 1.766 108 Y HN 0.531 nan 8.280 nan 0.000 0.711 109 G N -1.459 107.467 108.800 0.210 0.000 3.979 109 G HA2 0.297 4.258 3.960 0.001 0.000 0.287 109 G HA3 0.297 4.258 3.960 0.001 0.000 0.287 109 G C 0.246 175.180 174.900 0.057 0.000 1.011 109 G CA -0.059 45.106 45.100 0.108 0.000 0.818 109 G HN 0.356 nan 8.290 nan 0.000 0.470 110 L N -0.109 121.139 121.223 0.042 0.000 2.685 110 L HA 0.436 4.777 4.340 0.001 0.000 0.235 110 L C 2.129 178.948 176.870 -0.085 0.000 1.070 110 L CA 1.398 56.198 54.840 -0.066 0.000 0.888 110 L CB -0.152 41.814 42.059 -0.156 0.000 1.203 110 L HN 0.281 nan 8.230 nan 0.000 0.499 111 G N 0.253 109.044 108.800 -0.015 0.000 2.638 111 G HA2 -0.482 3.479 3.960 0.001 0.000 0.458 111 G HA3 -0.482 3.479 3.960 0.001 0.000 0.458 111 G C 1.331 176.201 174.900 -0.050 0.000 1.250 111 G CA 1.596 46.695 45.100 -0.002 0.000 0.928 111 G HN 0.415 nan 8.290 nan 0.000 0.584 112 V N 0.730 120.606 119.914 -0.062 0.000 2.688 112 V HA -0.139 3.981 4.120 0.001 0.000 0.256 112 V C 2.745 178.787 176.094 -0.087 0.000 1.084 112 V CA 3.244 65.503 62.300 -0.067 0.000 1.103 112 V CB -0.553 31.200 31.823 -0.117 0.000 0.688 112 V HN 0.649 nan 8.190 nan 0.000 0.480 113 K N 0.986 121.307 120.400 -0.131 0.000 2.097 113 K HA 0.068 4.388 4.320 0.001 0.000 0.205 113 K C 2.317 178.820 176.600 -0.161 0.000 1.050 113 K CA 1.521 57.729 56.287 -0.133 0.000 0.938 113 K CB -0.795 31.615 32.500 -0.149 0.000 0.718 113 K HN 0.560 nan 8.250 nan 0.000 0.442 114 A N 1.241 123.912 122.820 -0.248 0.000 1.940 114 A HA -0.143 4.178 4.320 0.001 0.000 0.219 114 A C 2.377 179.734 177.584 -0.378 0.000 1.176 114 A CA 1.959 53.714 52.037 -0.471 0.000 0.631 114 A CB -0.997 17.613 19.000 -0.649 0.000 0.814 114 A HN 0.300 nan 8.150 nan 0.000 0.446 115 A N -0.342 122.400 122.820 -0.130 0.000 1.873 115 A HA -0.105 4.216 4.320 0.001 0.000 0.218 115 A C 2.202 179.805 177.584 0.030 0.000 1.193 115 A CA 2.173 54.218 52.037 0.014 0.000 0.629 115 A CB -1.126 17.944 19.000 0.117 0.000 0.826 115 A HN 0.585 nan 8.150 nan 0.000 0.447 116 V N -0.224 119.709 119.914 0.032 0.000 2.515 116 V HA -0.204 3.917 4.120 0.001 0.000 0.250 116 V C 2.450 178.551 176.094 0.011 0.000 1.058 116 V CA 1.734 64.068 62.300 0.056 0.000 1.064 116 V CB -0.914 30.969 31.823 0.101 0.000 0.675 116 V HN 0.610 nan 8.190 nan 0.000 0.461 117 L N -0.842 120.353 121.223 -0.047 0.000 2.072 117 L HA -0.153 4.187 4.340 0.001 0.000 0.205 117 L C 2.446 179.314 176.870 -0.004 0.000 1.079 117 L CA 1.672 56.482 54.840 -0.051 0.000 0.752 117 L CB -0.385 41.605 42.059 -0.116 0.000 0.906 117 L HN 0.376 nan 8.230 nan 0.000 0.436 118 Y N -0.627 119.577 120.300 -0.161 0.000 2.421 118 Y HA -0.210 4.341 4.550 0.001 0.000 0.292 118 Y C 2.733 178.648 175.900 0.024 0.000 1.136 118 Y CA 1.519 59.566 58.100 -0.088 0.000 1.255 118 Y CB -0.115 38.166 38.460 -0.298 0.000 0.991 118 Y HN 0.303 nan 8.280 nan 0.000 0.552 119 S N -0.659 115.070 115.700 0.047 0.000 2.436 119 S HA -0.128 4.342 4.470 0.001 0.000 0.228 119 S C 1.555 176.136 174.600 -0.032 0.000 1.014 119 S CA 1.038 59.254 58.200 0.026 0.000 0.950 119 S CB -0.123 63.121 63.200 0.072 0.000 0.784 119 S HN 0.544 nan 8.310 nan 0.000 0.504 120 Q N -0.028 119.744 119.800 -0.047 0.000 2.320 120 Q HA 0.394 4.734 4.340 0.001 0.000 0.201 120 Q C 1.381 177.312 176.000 -0.115 0.000 0.910 120 Q CA 0.212 55.979 55.803 -0.061 0.000 0.946 120 Q CB 0.172 28.886 28.738 -0.040 0.000 1.062 120 Q HN 0.539 nan 8.270 nan 0.000 0.503 121 M N -2.146 117.344 119.600 -0.183 0.000 2.567 121 M HA 0.093 4.574 4.480 0.001 0.000 0.261 121 M C 0.522 176.491 176.300 -0.551 0.000 1.180 121 M CA 0.934 56.027 55.300 -0.345 0.000 1.143 121 M CB 0.430 32.805 32.600 -0.375 0.000 1.319 121 M HN 0.263 nan 8.290 nan 0.000 0.490 122 H N -1.485 117.460 119.070 -0.209 0.000 3.440 122 H HA 0.172 4.729 4.556 0.001 0.000 0.259 122 H C -0.260 175.005 175.328 -0.104 0.000 1.120 122 H CA -0.272 55.676 56.048 -0.167 0.000 1.191 122 H CB 0.731 30.354 29.762 -0.231 0.000 1.537 122 H HN 0.213 nan 8.280 nan 0.000 0.547 123 Q N -0.423 119.375 119.800 -0.003 0.000 2.495 123 Q HA 0.371 4.712 4.340 0.001 0.000 0.287 123 Q C -1.372 174.617 176.000 -0.018 0.000 1.078 123 Q CA -0.888 54.914 55.803 -0.003 0.000 0.793 123 Q CB 1.636 30.381 28.738 0.013 0.000 1.459 123 Q HN -0.142 nan 8.270 nan 0.000 0.422 124 D N 0.615 121.007 120.400 -0.014 0.000 2.755 124 D HA 0.275 4.915 4.640 0.001 0.000 0.257 124 D C -0.834 175.459 176.300 -0.011 0.000 1.291 124 D CA -0.094 53.896 54.000 -0.017 0.000 0.836 124 D CB 0.418 41.207 40.800 -0.018 0.000 1.059 124 D HN 0.375 nan 8.370 nan 0.000 0.486 125 K N 1.148 121.545 120.400 -0.006 0.000 2.328 125 K HA 0.475 4.795 4.320 0.001 0.000 0.246 125 K C -2.539 174.062 176.600 0.001 0.000 0.955 125 K CA -1.665 54.620 56.287 -0.002 0.000 0.817 125 K CB 2.736 35.236 32.500 0.000 0.000 1.208 125 K HN -0.106 nan 8.250 nan 0.000 0.432 126 P HA 0.263 nan 4.420 nan 0.000 0.289 126 P C -0.482 176.817 177.300 -0.002 0.000 1.299 126 P CA -0.421 62.678 63.100 -0.002 0.000 0.766 126 P CB 0.572 32.270 31.700 -0.004 0.000 1.226 127 I N 0.146 120.706 120.570 -0.017 0.000 2.460 127 I HA 0.250 4.420 4.170 0.001 0.000 0.277 127 I C 0.724 176.804 176.117 -0.063 0.000 1.057 127 I CA -0.828 60.451 61.300 -0.034 0.000 1.179 127 I CB -0.274 37.693 38.000 -0.054 0.000 1.329 127 I HN 0.458 nan 8.210 nan 0.000 0.478 128 E N 6.702 126.884 120.200 -0.030 0.000 2.351 128 E HA 0.335 4.685 4.350 0.001 0.000 0.266 128 E C -1.031 175.545 176.600 -0.039 0.000 1.031 128 E CA 0.086 56.475 56.400 -0.018 0.000 0.911 128 E CB 0.818 30.521 29.700 0.005 0.000 0.986 128 E HN 0.485 nan 8.360 nan 0.000 0.446 129 I N 3.849 124.398 120.570 -0.034 0.000 2.730 129 I HA 0.333 4.503 4.170 0.001 0.000 0.298 129 I C -0.629 175.539 176.117 0.084 0.000 1.089 129 I CA -0.676 60.588 61.300 -0.060 0.000 1.041 129 I CB 2.218 40.033 38.000 -0.309 0.000 1.235 129 I HN 0.517 nan 8.210 nan 0.000 0.423 130 E N 2.561 122.823 120.200 0.103 0.000 2.321 130 E HA 0.530 4.880 4.350 0.001 0.000 0.278 130 E C -1.312 175.395 176.600 0.178 0.000 0.902 130 E CA -0.685 55.824 56.400 0.182 0.000 0.758 130 E CB 2.981 32.777 29.700 0.160 0.000 1.213 130 E HN 0.468 nan 8.360 nan 0.000 0.426 131 T N 0.296 114.981 114.554 0.218 0.000 2.864 131 T HA 0.580 4.930 4.350 0.001 0.000 0.299 131 T C -1.663 173.111 174.700 0.122 0.000 1.166 131 T CA -0.582 61.614 62.100 0.159 0.000 1.007 131 T CB 1.753 70.705 68.868 0.141 0.000 1.219 131 T HN 0.286 nan 8.240 nan 0.000 0.506 132 S N 3.613 119.315 115.700 0.002 0.000 2.382 132 S HA 0.518 4.988 4.470 0.001 0.000 0.228 132 S C -3.000 171.536 174.600 -0.107 0.000 0.996 132 S CA -0.822 57.318 58.200 -0.099 0.000 1.094 132 S CB 0.895 63.974 63.200 -0.201 0.000 1.209 132 S HN 0.479 nan 8.310 nan 0.000 0.420 133 P HA 0.039 nan 4.420 nan 0.000 0.271 133 P C -0.507 176.762 177.300 -0.052 0.000 1.233 133 P CA -0.369 62.714 63.100 -0.029 0.000 0.795 133 P CB 0.343 32.064 31.700 0.035 0.000 0.936 134 V N 2.034 121.879 119.914 -0.115 0.000 2.529 134 V HA 0.005 4.126 4.120 0.001 0.000 0.292 134 V C 1.240 177.329 176.094 -0.009 0.000 1.028 134 V CA 0.354 62.569 62.300 -0.142 0.000 1.074 134 V CB -0.956 30.721 31.823 -0.242 0.000 0.958 134 V HN 0.820 nan 8.190 nan 0.000 0.481 135 N N 2.062 120.812 118.700 0.083 0.000 2.816 135 N HA -0.166 4.574 4.740 0.001 0.000 0.247 135 N C 0.143 175.676 175.510 0.038 0.000 1.100 135 N CA 0.847 53.933 53.050 0.059 0.000 0.687 135 N CB -0.284 38.223 38.487 0.034 0.000 1.003 135 N HN 0.859 nan 8.380 nan 0.000 0.554 136 S N -0.224 115.492 115.700 0.027 0.000 2.616 136 S HA 0.344 4.815 4.470 0.001 0.000 0.277 136 S C 1.245 175.841 174.600 -0.007 0.000 1.234 136 S CA -0.213 57.990 58.200 0.005 0.000 1.028 136 S CB 2.096 65.271 63.200 -0.042 0.000 0.988 136 S HN 0.406 nan 8.310 nan 0.000 0.522 137 K N 2.225 122.623 120.400 -0.004 0.000 1.975 137 K HA 0.096 4.416 4.320 0.001 0.000 0.210 137 K C 0.577 177.141 176.600 -0.060 0.000 1.041 137 K CA 1.071 57.355 56.287 -0.004 0.000 0.942 137 K CB 0.038 32.565 32.500 0.045 0.000 0.729 137 K HN 0.656 nan 8.250 nan 0.000 0.439 138 R N -0.544 119.850 120.500 -0.178 0.000 2.950 138 R HA 0.465 4.806 4.340 0.001 0.000 0.253 138 R C -0.682 175.351 176.300 -0.445 0.000 1.168 138 R CA -0.935 55.027 56.100 -0.230 0.000 1.014 138 R CB 1.076 31.285 30.300 -0.151 0.000 1.228 138 R HN 0.013 nan 8.270 nan 0.000 0.487 139 I N 2.288 122.690 120.570 -0.281 0.000 2.307 139 I HA 0.242 4.413 4.170 0.001 0.000 0.289 139 I C -0.920 175.088 176.117 -0.182 0.000 1.021 139 I CA -0.623 60.555 61.300 -0.203 0.000 1.224 139 I CB 0.511 38.527 38.000 0.027 0.000 1.376 139 I HN 0.318 nan 8.210 nan 0.000 0.470 140 Y N 4.259 124.635 120.300 0.126 0.000 2.365 140 Y HA 0.334 4.885 4.550 0.001 0.000 0.340 140 Y C 1.029 177.030 175.900 0.169 0.000 1.016 140 Y CA -1.140 57.026 58.100 0.110 0.000 1.196 140 Y CB 0.525 39.104 38.460 0.198 0.000 1.167 140 Y HN 0.483 nan 8.280 nan 0.000 0.509 141 T N 0.934 115.569 114.554 0.136 0.000 2.859 141 T HA 0.803 5.153 4.350 0.001 0.000 0.281 141 T C -0.697 173.959 174.700 -0.073 0.000 1.005 141 T CA -0.717 61.459 62.100 0.127 0.000 1.025 141 T CB 1.055 69.952 68.868 0.049 0.000 0.977 141 T HN 0.361 nan 8.240 nan 0.000 0.458 142 F N 0.138 120.091 119.950 0.005 0.000 2.664 142 F HA 0.724 5.251 4.527 0.001 0.000 0.329 142 F C 0.377 176.145 175.800 -0.054 0.000 1.090 142 F CA -1.359 56.623 58.000 -0.030 0.000 0.978 142 F CB 2.391 41.353 39.000 -0.064 0.000 1.378 142 F HN 0.391 nan 8.300 nan 0.000 0.495 143 K N 2.101 122.585 120.400 0.140 0.000 2.767 143 K HA 0.363 4.683 4.320 0.001 0.000 0.286 143 K C -2.023 174.596 176.600 0.031 0.000 1.177 143 K CA -0.383 55.931 56.287 0.045 0.000 1.078 143 K CB 1.454 33.965 32.500 0.020 0.000 1.358 143 K HN 0.268 nan 8.250 nan 0.000 0.531 144 L N 2.095 123.316 121.223 -0.003 0.000 2.331 144 L HA 0.545 4.886 4.340 0.001 0.000 0.275 144 L C 0.063 176.930 176.870 -0.006 0.000 1.022 144 L CA -0.211 54.629 54.840 -0.000 0.000 0.812 144 L CB 1.328 43.369 42.059 -0.029 0.000 1.257 144 L HN 0.329 nan 8.230 nan 0.000 0.435 145 K N 1.668 122.072 120.400 0.007 0.000 2.349 145 K HA 0.668 4.988 4.320 0.001 0.000 0.243 145 K C -1.466 175.140 176.600 0.011 0.000 1.058 145 K CA -0.936 55.354 56.287 0.005 0.000 0.871 145 K CB 2.830 35.330 32.500 -0.000 0.000 1.337 145 K HN 0.474 nan 8.250 nan 0.000 0.469 146 I N 0.156 120.729 120.570 0.005 0.000 2.828 146 I HA 0.265 4.435 4.170 0.001 0.000 0.302 146 I C -1.511 174.604 176.117 -0.003 0.000 1.101 146 I CA -0.628 60.675 61.300 0.005 0.000 1.031 146 I CB 2.188 40.190 38.000 0.005 0.000 1.231 146 I HN 0.503 nan 8.210 nan 0.000 0.427 147 D N 6.405 126.803 120.400 -0.003 0.000 2.373 147 D HA 0.307 4.947 4.640 0.001 0.000 0.227 147 D C 1.001 177.296 176.300 -0.009 0.000 1.091 147 D CA -0.363 53.634 54.000 -0.006 0.000 0.840 147 D CB 1.169 41.968 40.800 -0.002 0.000 1.060 147 D HN 0.514 nan 8.370 nan 0.000 0.502 148 I N 0.865 121.428 120.570 -0.012 0.000 2.584 148 I HA -0.012 4.159 4.170 0.001 0.000 0.255 148 I C 1.399 177.513 176.117 -0.005 0.000 1.145 148 I CA 0.157 61.450 61.300 -0.012 0.000 1.462 148 I CB -0.166 37.825 38.000 -0.015 0.000 1.102 148 I HN 0.179 nan 8.210 nan 0.000 0.433 149 N N 1.813 120.512 118.700 -0.003 0.000 2.142 149 N HA -0.081 4.659 4.740 0.001 0.000 0.186 149 N C 0.952 176.468 175.510 0.010 0.000 1.023 149 N CA 1.026 54.078 53.050 0.004 0.000 0.852 149 N CB 0.061 38.549 38.487 0.003 0.000 0.998 149 N HN 0.422 nan 8.380 nan 0.000 0.424 150 K N 0.717 121.121 120.400 0.006 0.000 2.537 150 K HA 0.112 4.433 4.320 0.001 0.000 0.206 150 K C -0.599 176.003 176.600 0.003 0.000 1.041 150 K CA -0.302 55.991 56.287 0.010 0.000 1.090 150 K CB 0.441 32.947 32.500 0.011 0.000 0.833 150 K HN 0.009 nan 8.250 nan 0.000 0.493 151 N N 3.819 122.513 118.700 -0.009 0.000 2.584 151 N HA -0.220 4.520 4.740 0.001 0.000 0.291 151 N C -1.652 173.844 175.510 -0.022 0.000 1.203 151 N CA 1.172 54.204 53.050 -0.029 0.000 0.735 151 N CB -0.625 37.826 38.487 -0.060 0.000 0.936 151 N HN 0.562 nan 8.380 nan 0.000 0.549 152 E N 0.342 120.534 120.200 -0.013 0.000 2.597 152 E HA 0.298 4.649 4.350 0.001 0.000 0.310 152 E C -3.261 173.342 176.600 0.004 0.000 0.970 152 E CA -1.560 54.838 56.400 -0.004 0.000 0.819 152 E CB 1.476 31.177 29.700 0.002 0.000 1.267 152 E HN 0.139 nan 8.360 nan 0.000 0.411 153 P HA 0.307 nan 4.420 nan 0.000 0.280 153 P C -0.268 177.048 177.300 0.027 0.000 1.244 153 P CA -0.275 62.839 63.100 0.024 0.000 0.784 153 P CB 1.026 32.750 31.700 0.040 0.000 0.913 154 I N 4.320 124.904 120.570 0.023 0.000 2.321 154 I HA 0.216 4.386 4.170 0.001 0.000 0.291 154 I C 0.627 176.763 176.117 0.031 0.000 0.998 154 I CA -1.001 60.312 61.300 0.022 0.000 1.227 154 I CB 1.035 39.042 38.000 0.012 0.000 1.368 154 I HN 0.115 nan 8.210 nan 0.000 0.466 155 I N 7.882 128.476 120.570 0.039 0.000 2.436 155 I HA 0.028 4.199 4.170 0.001 0.000 0.289 155 I C 1.142 177.273 176.117 0.024 0.000 1.083 155 I CA 0.274 61.604 61.300 0.050 0.000 1.372 155 I CB 1.027 39.062 38.000 0.058 0.000 1.408 155 I HN 0.405 nan 8.210 nan 0.000 0.516 156 V N 5.219 125.145 119.914 0.021 0.000 2.599 156 V HA 0.049 4.170 4.120 0.001 0.000 0.245 156 V C 0.832 176.922 176.094 -0.007 0.000 1.046 156 V CA 0.998 63.301 62.300 0.005 0.000 1.065 156 V CB -0.217 31.608 31.823 0.004 0.000 0.703 156 V HN 0.800 nan 8.190 nan 0.000 0.464 157 E N -0.374 119.821 120.200 -0.009 0.000 2.321 157 E HA 0.525 4.875 4.350 0.001 0.000 0.278 157 E C -0.857 175.683 176.600 -0.100 0.000 0.902 157 E CA -0.673 55.702 56.400 -0.042 0.000 0.758 157 E CB 1.997 31.677 29.700 -0.033 0.000 1.213 157 E HN 0.162 nan 8.360 nan 0.000 0.426 158 R N 2.925 123.327 120.500 -0.165 0.000 2.515 158 R HA 0.690 5.031 4.340 0.001 0.000 0.291 158 R C -1.362 174.786 176.300 -0.254 0.000 1.046 158 R CA -0.363 55.529 56.100 -0.347 0.000 0.914 158 R CB 1.480 31.561 30.300 -0.366 0.000 1.191 158 R HN 0.623 nan 8.270 nan 0.000 0.435 159 G N 0.735 109.378 108.800 -0.262 0.000 2.645 159 G HA2 0.533 4.493 3.960 0.001 0.000 0.292 159 G HA3 0.533 4.493 3.960 0.001 0.000 0.292 159 G C -1.641 173.229 174.900 -0.050 0.000 1.415 159 G CA -0.505 44.521 45.100 -0.123 0.000 0.785 159 G HN 0.618 nan 8.290 nan 0.000 0.483 160 S N -1.433 114.276 115.700 0.015 0.000 2.533 160 S HA 0.796 5.267 4.470 0.001 0.000 0.271 160 S C -0.341 174.273 174.600 0.023 0.000 1.143 160 S CA -0.116 58.125 58.200 0.067 0.000 0.891 160 S CB 1.308 64.637 63.200 0.215 0.000 1.105 160 S HN 1.886 nan 8.310 nan 0.000 0.468 161 V N -0.480 119.433 119.914 -0.001 0.000 3.221 161 V HA 0.706 4.827 4.120 0.001 0.000 0.305 161 V C -0.185 175.896 176.094 -0.021 0.000 1.263 161 V CA -1.220 61.074 62.300 -0.009 0.000 1.048 161 V CB 0.553 32.368 31.823 -0.012 0.000 1.203 161 V HN 0.972 nan 8.190 nan 0.000 0.476 162 E N 1.252 121.442 120.200 -0.017 0.000 2.301 162 E HA 0.326 4.677 4.350 0.001 0.000 0.275 162 E C -0.959 175.634 176.600 -0.013 0.000 1.030 162 E CA -0.459 55.932 56.400 -0.016 0.000 0.852 162 E CB 0.940 30.634 29.700 -0.010 0.000 1.060 162 E HN 0.643 nan 8.360 nan 0.000 0.401 163 N N 1.600 120.299 118.700 -0.002 0.000 2.414 163 N HA 0.051 4.792 4.740 0.001 0.000 0.256 163 N C -1.178 174.347 175.510 0.024 0.000 1.029 163 N CA -0.297 52.774 53.050 0.035 0.000 0.948 163 N CB 0.916 39.436 38.487 0.056 0.000 1.102 163 N HN 0.364 nan 8.380 nan 0.000 0.496 164 T N 1.754 116.310 114.554 0.004 0.000 2.775 164 T HA 0.141 4.491 4.350 0.001 0.000 0.287 164 T C 0.793 175.504 174.700 0.019 0.000 0.909 164 T CA -0.717 61.376 62.100 -0.011 0.000 1.081 164 T CB 0.026 68.864 68.868 -0.051 0.000 0.891 164 T HN 0.461 nan 8.240 nan 0.000 0.544 165 R N 2.505 123.018 120.500 0.021 0.000 2.425 165 R HA -0.119 4.222 4.340 0.001 0.000 0.287 165 R C 1.611 177.934 176.300 0.038 0.000 0.976 165 R CA 1.835 57.952 56.100 0.030 0.000 1.067 165 R CB -0.695 29.614 30.300 0.015 0.000 0.841 165 R HN 1.364 nan 8.270 nan 0.000 0.431 166 G N 2.241 111.053 108.800 0.020 0.000 2.269 166 G HA2 -0.323 3.637 3.960 0.001 0.000 0.277 166 G HA3 -0.323 3.637 3.960 0.001 0.000 0.277 166 G C -0.143 174.682 174.900 -0.124 0.000 1.008 166 G CA 0.659 45.742 45.100 -0.029 0.000 0.774 166 G HN 0.576 nan 8.290 nan 0.000 0.511 167 F N 2.196 122.024 119.950 -0.205 0.000 2.404 167 F HA 0.690 5.218 4.527 0.001 0.000 0.339 167 F C 0.217 175.881 175.800 -0.227 0.000 1.105 167 F CA -1.496 56.349 58.000 -0.258 0.000 1.087 167 F CB 0.970 39.894 39.000 -0.127 0.000 1.143 167 F HN 0.391 nan 8.300 nan 0.000 0.491 168 H N 2.440 120.912 119.070 -0.997 0.000 3.029 168 H HA 0.833 5.390 4.556 0.001 0.000 0.358 168 H C -0.538 174.244 175.328 -0.910 0.000 1.129 168 H CA -1.172 54.272 56.048 -1.006 0.000 1.230 168 H CB 1.151 30.672 29.762 -0.401 0.000 1.827 168 H HN 0.873 nan 8.280 nan 0.000 0.530 169 G N 0.087 108.534 108.800 -0.589 0.000 2.430 169 G HA2 0.537 4.498 3.960 0.001 0.000 0.300 169 G HA3 0.537 4.498 3.960 0.001 0.000 0.300 169 G C -1.602 173.310 174.900 0.019 0.000 1.330 169 G CA -0.735 44.297 45.100 -0.113 0.000 0.813 169 G HN 0.842 nan 8.290 nan 0.000 0.487 170 T N -0.369 114.253 114.554 0.113 0.000 3.066 170 T HA 0.552 4.903 4.350 0.001 0.000 0.318 170 T C -0.566 174.222 174.700 0.146 0.000 0.979 170 T CA -0.399 61.775 62.100 0.123 0.000 1.025 170 T CB 1.280 70.209 68.868 0.101 0.000 1.002 170 T HN 0.852 nan 8.240 nan 0.000 0.453 171 S N 2.871 118.660 115.700 0.148 0.000 2.422 171 S HA 0.628 5.098 4.470 0.001 0.000 0.308 171 S C -0.201 174.458 174.600 0.097 0.000 1.097 171 S CA -0.456 57.820 58.200 0.126 0.000 1.099 171 S CB 0.230 63.502 63.200 0.119 0.000 0.976 171 S HN 0.540 nan 8.310 nan 0.000 0.471 172 V N 4.245 124.222 119.914 0.104 0.000 2.459 172 V HA 0.835 4.955 4.120 0.001 0.000 0.295 172 V C 0.077 176.218 176.094 0.077 0.000 1.029 172 V CA -0.648 61.706 62.300 0.091 0.000 0.874 172 V CB 1.392 33.315 31.823 0.166 0.000 0.985 172 V HN 1.020 nan 8.190 nan 0.000 0.438 173 A N 6.711 129.560 122.820 0.047 0.000 2.375 173 A HA 0.866 5.187 4.320 0.001 0.000 0.291 173 A C -0.924 176.689 177.584 0.049 0.000 1.160 173 A CA -0.356 51.711 52.037 0.049 0.000 0.747 173 A CB 0.596 19.617 19.000 0.034 0.000 1.170 173 A HN 0.732 nan 8.150 nan 0.000 0.458 174 I N 1.556 122.170 120.570 0.073 0.000 2.509 174 I HA 0.381 4.552 4.170 0.001 0.000 0.293 174 I C -0.094 176.082 176.117 0.098 0.000 1.020 174 I CA -0.547 60.804 61.300 0.085 0.000 1.088 174 I CB 2.511 40.578 38.000 0.112 0.000 1.267 174 I HN 0.503 nan 8.210 nan 0.000 0.430 175 S N 6.803 122.559 115.700 0.092 0.000 2.437 175 S HA 0.764 5.234 4.470 0.001 0.000 0.305 175 S C -0.342 174.341 174.600 0.139 0.000 1.109 175 S CA -0.573 57.690 58.200 0.104 0.000 1.099 175 S CB 1.122 64.360 63.200 0.063 0.000 1.004 175 S HN 0.516 nan 8.310 nan 0.000 0.475 176 I N -0.140 120.549 120.570 0.197 0.000 3.095 176 I HA 0.722 4.892 4.170 0.001 0.000 0.310 176 I C -3.080 173.205 176.117 0.280 0.000 1.196 176 I CA -3.168 58.285 61.300 0.255 0.000 0.985 176 I CB 2.520 40.754 38.000 0.390 0.000 1.250 176 I HN 0.272 nan 8.210 nan 0.000 0.446 177 P HA 0.512 nan 4.420 nan 0.000 0.296 177 P C -0.594 176.913 177.300 0.345 0.000 1.306 177 P CA 0.058 63.308 63.100 0.249 0.000 0.818 177 P CB 1.797 33.548 31.700 0.086 0.000 0.969 178 G N 1.361 110.424 108.800 0.438 0.000 2.846 178 G HA2 0.390 4.350 3.960 0.001 0.000 0.299 178 G HA3 0.390 4.350 3.960 0.001 0.000 0.299 178 G C -1.738 173.369 174.900 0.345 0.000 1.242 178 G CA -0.296 44.992 45.100 0.313 0.000 0.800 178 G HN 0.433 nan 8.290 nan 0.000 0.538 179 D N 0.031 120.542 120.400 0.186 0.000 2.346 179 D HA 0.101 4.741 4.640 0.001 0.000 0.255 179 D C 0.683 177.051 176.300 0.114 0.000 1.276 179 D CA -0.702 53.414 54.000 0.193 0.000 0.941 179 D CB 0.675 41.547 40.800 0.120 0.000 1.199 179 D HN 0.548 nan 8.370 nan 0.000 0.537 180 W N 4.418 125.650 121.300 -0.113 0.000 2.301 180 W HA -0.150 4.511 4.660 0.001 0.000 0.325 180 W C -1.344 175.164 176.519 -0.018 0.000 1.250 180 W CA 1.271 58.514 57.345 -0.170 0.000 1.261 180 W CB -0.909 28.483 29.460 -0.114 0.000 1.157 180 W HN 0.357 nan 8.180 nan 0.000 0.473 181 P HA -0.192 nan 4.420 nan 0.000 0.218 181 P C 1.430 178.576 177.300 -0.258 0.000 1.148 181 P CA 2.371 65.265 63.100 -0.343 0.000 0.822 181 P CB -0.454 31.193 31.700 -0.089 0.000 0.784 182 K N -0.463 119.854 120.400 -0.138 0.000 2.217 182 K HA 0.040 4.361 4.320 0.001 0.000 0.202 182 K C 1.447 177.974 176.600 -0.123 0.000 1.051 182 K CA 1.154 57.381 56.287 -0.099 0.000 0.952 182 K CB -0.150 32.328 32.500 -0.037 0.000 0.736 182 K HN 0.007 nan 8.250 nan 0.000 0.453 183 A N 0.414 123.139 122.820 -0.157 0.000 2.508 183 A HA 0.096 4.416 4.320 0.001 0.000 0.257 183 A C 1.485 178.935 177.584 -0.222 0.000 1.226 183 A CA -0.354 51.611 52.037 -0.120 0.000 0.947 183 A CB 0.019 19.009 19.000 -0.016 0.000 1.079 183 A HN 0.183 nan 8.150 nan 0.000 0.531 184 K N 1.297 121.393 120.400 -0.507 0.000 1.969 184 K HA -0.185 4.135 4.320 0.001 0.000 0.216 184 K C 2.065 178.528 176.600 -0.229 0.000 1.048 184 K CA 2.219 58.043 56.287 -0.771 0.000 0.948 184 K CB -0.307 31.521 32.500 -1.120 0.000 0.726 184 K HN 0.501 nan 8.250 nan 0.000 0.442 185 S N 0.068 115.679 115.700 -0.150 0.000 2.465 185 S HA -0.121 4.349 4.470 0.001 0.000 0.241 185 S C 1.930 176.515 174.600 -0.026 0.000 1.000 185 S CA 1.057 59.242 58.200 -0.026 0.000 0.964 185 S CB -0.130 63.024 63.200 -0.075 0.000 0.763 185 S HN 0.291 nan 8.310 nan 0.000 0.512 186 R N 0.567 121.020 120.500 -0.079 0.000 2.156 186 R HA 0.479 4.820 4.340 0.001 0.000 0.207 186 R C 2.063 178.372 176.300 0.016 0.000 1.040 186 R CA 0.649 56.682 56.100 -0.112 0.000 1.013 186 R CB -0.475 29.685 30.300 -0.234 0.000 0.931 186 R HN 0.472 nan 8.270 nan 0.000 0.465 187 I N -0.599 120.006 120.570 0.058 0.000 2.163 187 I HA -0.291 3.879 4.170 0.001 0.000 0.240 187 I C 1.336 177.459 176.117 0.010 0.000 1.081 187 I CA 1.245 62.600 61.300 0.092 0.000 1.353 187 I CB -0.251 37.780 38.000 0.052 0.000 1.054 187 I HN 0.163 nan 8.210 nan 0.000 0.407 188 Y N 1.202 121.476 120.300 -0.044 0.000 2.283 188 Y HA -0.300 4.250 4.550 0.001 0.000 0.285 188 Y C 2.432 178.304 175.900 -0.046 0.000 1.176 188 Y CA 1.460 59.511 58.100 -0.082 0.000 1.229 188 Y CB -0.416 38.038 38.460 -0.010 0.000 0.975 188 Y HN 0.195 nan 8.280 nan 0.000 0.537 189 E N -1.637 118.644 120.200 0.135 0.000 2.208 189 E HA -0.150 4.201 4.350 0.001 0.000 0.193 189 E C 1.740 178.384 176.600 0.074 0.000 0.988 189 E CA 0.570 57.014 56.400 0.073 0.000 0.828 189 E CB -0.479 29.234 29.700 0.022 0.000 0.763 189 E HN 0.512 nan 8.360 nan 0.000 0.478 190 Y N 1.555 121.837 120.300 -0.030 0.000 2.079 190 Y HA -0.242 4.309 4.550 0.001 0.000 0.267 190 Y C 1.952 177.743 175.900 -0.181 0.000 1.104 190 Y CA 1.902 59.965 58.100 -0.062 0.000 1.086 190 Y CB -0.626 37.809 38.460 -0.040 0.000 0.989 190 Y HN -0.043 nan 8.280 nan 0.000 0.477 191 I N 0.495 120.927 120.570 -0.230 0.000 2.093 191 I HA -0.464 3.707 4.170 0.001 0.000 0.239 191 I C 2.329 178.108 176.117 -0.563 0.000 1.026 191 I CA 2.527 63.493 61.300 -0.556 0.000 1.295 191 I CB -1.904 35.800 38.000 -0.493 0.000 1.007 191 I HN 0.307 nan 8.210 nan 0.000 0.401 192 K N 1.064 121.312 120.400 -0.253 0.000 2.032 192 K HA -0.225 4.095 4.320 0.001 0.000 0.218 192 K C 2.368 178.904 176.600 -0.107 0.000 1.054 192 K CA 2.384 58.618 56.287 -0.089 0.000 0.941 192 K CB -0.175 32.352 32.500 0.046 0.000 0.720 192 K HN 0.329 nan 8.250 nan 0.000 0.449 193 R N -0.483 119.948 120.500 -0.115 0.000 2.189 193 R HA -0.033 4.308 4.340 0.001 0.000 0.218 193 R C 2.160 178.425 176.300 -0.058 0.000 1.074 193 R CA 1.370 57.442 56.100 -0.046 0.000 0.991 193 R CB -0.100 30.172 30.300 -0.047 0.000 0.883 193 R HN 0.338 nan 8.270 nan 0.000 0.457 194 T N 0.323 114.700 114.554 -0.295 0.000 2.857 194 T HA -0.143 4.208 4.350 0.001 0.000 0.266 194 T C 1.330 175.883 174.700 -0.246 0.000 1.048 194 T CA 0.839 62.730 62.100 -0.348 0.000 1.139 194 T CB -0.298 68.160 68.868 -0.683 0.000 0.874 194 T HN 0.232 nan 8.240 nan 0.000 0.455 195 Y N 2.055 122.077 120.300 -0.464 0.000 2.181 195 Y HA -0.080 4.470 4.550 0.001 0.000 0.288 195 Y C 1.890 177.688 175.900 -0.171 0.000 1.146 195 Y CA 0.381 58.291 58.100 -0.317 0.000 1.164 195 Y CB -0.729 37.491 38.460 -0.401 0.000 0.982 195 Y HN 0.201 nan 8.280 nan 0.000 0.515 196 I N 0.192 120.619 120.570 -0.239 0.000 2.099 196 I HA -0.305 3.866 4.170 0.001 0.000 0.239 196 I C 1.928 177.884 176.117 -0.269 0.000 1.066 196 I CA 2.078 63.212 61.300 -0.278 0.000 1.324 196 I CB -0.651 37.297 38.000 -0.087 0.000 1.037 196 I HN 0.244 nan 8.210 nan 0.000 0.401 197 I N -1.995 118.417 120.570 -0.263 0.000 3.646 197 I HA 0.025 4.196 4.170 0.001 0.000 0.301 197 I C 0.537 176.502 176.117 -0.254 0.000 1.276 197 I CA 0.906 62.014 61.300 -0.319 0.000 1.254 197 I CB -0.874 36.757 38.000 -0.615 0.000 1.020 197 I HN -0.051 nan 8.210 nan 0.000 0.473 198 T N 3.125 117.502 114.554 -0.296 0.000 3.741 198 T HA 0.305 4.655 4.350 0.001 0.000 0.242 198 T C -1.988 172.404 174.700 -0.512 0.000 1.042 198 T CA -0.384 61.412 62.100 -0.507 0.000 1.278 198 T CB 0.743 69.390 68.868 -0.368 0.000 0.994 198 T HN 0.178 nan 8.240 nan 0.000 0.594 199 P HA -0.021 nan 4.420 nan 0.000 0.242 199 P C 0.692 177.954 177.300 -0.063 0.000 1.197 199 P CA 0.381 63.354 63.100 -0.211 0.000 0.765 199 P CB -0.377 31.210 31.700 -0.188 0.000 0.936 200 Y N -1.458 118.855 120.300 0.022 0.000 2.470 200 Y HA 0.625 5.175 4.550 0.001 0.000 0.302 200 Y C 0.625 176.526 175.900 0.002 0.000 1.194 200 Y CA -1.377 56.731 58.100 0.014 0.000 1.271 200 Y CB -0.800 37.662 38.460 0.003 0.000 1.092 200 Y HN -0.088 nan 8.280 nan 0.000 0.513 201 A N 0.845 123.614 122.820 -0.086 0.000 2.430 201 A HA 0.669 4.990 4.320 0.001 0.000 0.300 201 A C -1.041 176.418 177.584 -0.207 0.000 1.124 201 A CA -0.941 50.972 52.037 -0.206 0.000 0.766 201 A CB 1.587 20.308 19.000 -0.465 0.000 1.328 201 A HN 0.377 nan 8.150 nan 0.000 0.424 202 E N 0.966 120.934 120.200 -0.388 0.000 2.255 202 E HA 0.555 4.906 4.350 0.001 0.000 0.256 202 E C -1.976 174.414 176.600 -0.350 0.000 0.887 202 E CA -0.235 56.009 56.400 -0.261 0.000 0.782 202 E CB 0.760 30.421 29.700 -0.066 0.000 1.214 202 E HN 0.442 nan 8.360 nan 0.000 0.417 203 F N 4.062 123.966 119.950 -0.077 0.000 2.480 203 F HA 0.568 5.096 4.527 0.001 0.000 0.329 203 F C 0.155 176.090 175.800 0.226 0.000 1.091 203 F CA -0.764 57.254 58.000 0.030 0.000 0.972 203 F CB 1.496 40.388 39.000 -0.180 0.000 1.150 203 F HN 0.330 nan 8.300 nan 0.000 0.467 204 I N 3.089 123.937 120.570 0.463 0.000 2.569 204 I HA 0.339 4.510 4.170 0.001 0.000 0.290 204 I C -1.511 174.869 176.117 0.438 0.000 1.088 204 I CA -0.726 60.835 61.300 0.435 0.000 1.047 204 I CB 2.289 40.484 38.000 0.324 0.000 1.237 204 I HN 0.422 nan 8.210 nan 0.000 0.421 205 F N 6.694 126.801 119.950 0.263 0.000 2.518 205 F HA 0.529 5.057 4.527 0.001 0.000 0.323 205 F C -0.809 175.065 175.800 0.123 0.000 1.129 205 F CA -0.629 57.483 58.000 0.187 0.000 0.920 205 F CB 1.459 40.596 39.000 0.229 0.000 1.160 205 F HN 0.307 nan 8.300 nan 0.000 0.440 206 K N 5.935 125.936 120.400 -0.665 0.000 2.521 206 K HA 0.248 4.569 4.320 0.001 0.000 0.248 206 K C -1.084 175.014 176.600 -0.836 0.000 0.978 206 K CA -0.713 55.233 56.287 -0.569 0.000 0.947 206 K CB 0.459 32.810 32.500 -0.250 0.000 1.165 206 K HN 0.803 nan 8.250 nan 0.000 0.445 207 D N 3.409 123.273 120.400 -0.894 0.000 2.371 207 D HA 0.100 4.740 4.640 0.001 0.000 0.242 207 D C -1.771 174.221 176.300 -0.513 0.000 1.218 207 D CA -1.793 51.739 54.000 -0.780 0.000 0.945 207 D CB 0.601 41.168 40.800 -0.389 0.000 1.137 207 D HN 0.184 nan 8.370 nan 0.000 0.464 208 P HA -0.094 nan 4.420 nan 0.000 0.225 208 P C 0.734 177.917 177.300 -0.195 0.000 1.148 208 P CA 1.148 64.019 63.100 -0.382 0.000 0.779 208 P CB 0.140 31.577 31.700 -0.439 0.000 0.780 209 E N -1.446 118.674 120.200 -0.134 0.000 2.076 209 E HA 0.097 4.447 4.350 0.001 0.000 0.190 209 E C 1.249 177.846 176.600 -0.005 0.000 0.979 209 E CA 0.950 57.360 56.400 0.017 0.000 0.807 209 E CB -0.252 29.540 29.700 0.154 0.000 0.761 209 E HN 0.217 nan 8.360 nan 0.000 0.454 210 G N 1.206 109.983 108.800 -0.039 0.000 2.161 210 G HA2 -0.154 3.807 3.960 0.001 0.000 0.140 210 G HA3 -0.154 3.807 3.960 0.001 0.000 0.140 210 G C -0.555 174.340 174.900 -0.008 0.000 1.040 210 G CA -0.592 44.486 45.100 -0.036 0.000 0.735 210 G HN 0.060 nan 8.290 nan 0.000 0.496 211 N N 0.434 119.144 118.700 0.017 0.000 2.414 211 N HA 0.527 5.268 4.740 0.001 0.000 0.256 211 N C 0.159 175.695 175.510 0.042 0.000 1.029 211 N CA -0.064 53.031 53.050 0.076 0.000 0.948 211 N CB 1.650 40.262 38.487 0.208 0.000 1.102 211 N HN 0.089 nan 8.380 nan 0.000 0.496 212 V N 2.256 122.197 119.914 0.044 0.000 2.539 212 V HA 0.503 4.624 4.120 0.001 0.000 0.292 212 V C 0.001 176.157 176.094 0.104 0.000 1.045 212 V CA -0.215 62.113 62.300 0.046 0.000 0.945 212 V CB 1.643 33.478 31.823 0.019 0.000 0.993 212 V HN 0.664 nan 8.190 nan 0.000 0.464 213 T N 4.207 118.852 114.554 0.151 0.000 2.921 213 T HA 0.473 4.824 4.350 0.001 0.000 0.297 213 T C -1.424 173.257 174.700 -0.033 0.000 1.013 213 T CA -0.412 61.708 62.100 0.033 0.000 0.990 213 T CB 1.235 70.166 68.868 0.106 0.000 1.023 213 T HN 0.556 nan 8.240 nan 0.000 0.447 214 Y N 3.239 123.335 120.300 -0.340 0.000 2.326 214 Y HA 0.575 5.126 4.550 0.001 0.000 0.329 214 Y C -1.813 173.885 175.900 -0.336 0.000 0.973 214 Y CA -1.418 56.566 58.100 -0.194 0.000 1.162 214 Y CB 0.973 39.398 38.460 -0.059 0.000 1.147 214 Y HN 0.707 nan 8.280 nan 0.000 0.456 215 Y N 7.813 127.728 120.300 -0.643 0.000 2.334 215 Y HA 0.560 5.110 4.550 0.001 0.000 0.336 215 Y C -2.532 172.836 175.900 -0.887 0.000 0.960 215 Y CA -2.775 54.818 58.100 -0.845 0.000 1.164 215 Y CB 1.173 38.778 38.460 -1.424 0.000 1.155 215 Y HN 0.445 nan 8.280 nan 0.000 0.478 216 P HA 0.241 nan 4.420 nan 0.000 0.290 216 P C -0.746 176.590 177.300 0.061 0.000 1.275 216 P CA -0.900 62.022 63.100 -0.297 0.000 0.841 216 P CB 1.586 33.260 31.700 -0.044 0.000 1.042 217 R N 2.411 122.950 120.500 0.065 0.000 2.484 217 R HA 0.130 4.471 4.340 0.001 0.000 0.293 217 R C 0.734 177.097 176.300 0.105 0.000 1.023 217 R CA 0.094 56.256 56.100 0.105 0.000 1.037 217 R CB -0.260 30.089 30.300 0.081 0.000 0.951 217 R HN 0.521 nan 8.270 nan 0.000 0.418 218 L N 2.914 124.193 121.223 0.094 0.000 2.640 218 L HA 0.170 4.510 4.340 0.001 0.000 0.230 218 L C 0.994 177.895 176.870 0.052 0.000 1.123 218 L CA 0.107 54.985 54.840 0.064 0.000 0.900 218 L CB 0.526 42.601 42.059 0.027 0.000 1.146 218 L HN 0.732 nan 8.230 nan 0.000 0.484 219 T N -0.555 114.040 114.554 0.068 0.000 2.651 219 T HA 0.242 4.592 4.350 0.001 0.000 0.279 219 T C -1.264 173.486 174.700 0.084 0.000 1.447 219 T CA 0.028 62.167 62.100 0.065 0.000 1.056 219 T CB 0.779 69.680 68.868 0.056 0.000 1.904 219 T HN 0.242 nan 8.240 nan 0.000 0.437 220 N N -0.092 118.654 118.700 0.076 0.000 2.300 220 N HA 0.110 4.851 4.740 0.001 0.000 0.231 220 N C -0.844 174.679 175.510 0.021 0.000 1.406 220 N CA -0.507 52.586 53.050 0.071 0.000 1.064 220 N CB -0.033 38.486 38.487 0.054 0.000 1.280 220 N HN 0.369 nan 8.380 nan 0.000 0.547 221 K N 2.295 122.708 120.400 0.021 0.000 2.155 221 K HA 0.212 4.533 4.320 0.001 0.000 0.240 221 K C -0.455 176.081 176.600 -0.107 0.000 1.193 221 K CA -0.317 55.955 56.287 -0.026 0.000 1.104 221 K CB -0.499 31.997 32.500 -0.005 0.000 1.558 221 K HN 0.435 nan 8.250 nan 0.000 0.313 222 I N 4.387 124.827 120.570 -0.217 0.000 2.556 222 I HA 0.113 4.284 4.170 0.001 0.000 0.284 222 I C -1.643 174.275 176.117 -0.332 0.000 1.114 222 I CA -1.924 59.069 61.300 -0.512 0.000 1.418 222 I CB -0.062 37.650 38.000 -0.479 0.000 1.394 222 I HN 0.316 nan 8.210 nan 0.000 0.552 223 P HA 0.101 nan 4.420 nan 0.000 0.274 223 P C -0.612 176.606 177.300 -0.136 0.000 1.260 223 P CA -0.725 62.276 63.100 -0.165 0.000 0.793 223 P CB 0.468 32.106 31.700 -0.102 0.000 1.048 224 K N 1.298 121.646 120.400 -0.087 0.000 2.401 224 K HA 0.180 4.500 4.320 0.001 0.000 0.278 224 K C -1.947 174.609 176.600 -0.073 0.000 1.018 224 K CA -1.252 54.990 56.287 -0.075 0.000 0.981 224 K CB -0.280 32.187 32.500 -0.055 0.000 0.933 224 K HN 0.340 nan 8.250 nan 0.000 0.477 225 P HA 0.263 nan 4.420 nan 0.000 0.278 225 P C -2.739 174.524 177.300 -0.063 0.000 1.266 225 P CA -1.533 61.519 63.100 -0.079 0.000 0.807 225 P CB 0.298 31.931 31.700 -0.111 0.000 1.094 226 P HA 0.301 nan 4.420 nan 0.000 0.281 226 P C -0.884 176.382 177.300 -0.056 0.000 1.249 226 P CA -0.215 62.858 63.100 -0.044 0.000 0.810 226 P CB 0.706 32.390 31.700 -0.027 0.000 1.008 227 Q N 0.680 120.453 119.800 -0.045 0.000 2.333 227 Q HA 0.254 4.594 4.340 0.001 0.000 0.267 227 Q C -0.415 175.559 176.000 -0.044 0.000 1.012 227 Q CA -0.569 55.206 55.803 -0.046 0.000 0.824 227 Q CB 1.285 30.000 28.738 -0.038 0.000 1.290 227 Q HN 0.381 nan 8.270 nan 0.000 0.449 228 E N 1.413 121.585 120.200 -0.046 0.000 2.404 228 E HA 0.378 4.728 4.350 0.001 0.000 0.261 228 E C -1.391 175.178 176.600 -0.051 0.000 1.074 228 E CA -0.235 56.134 56.400 -0.052 0.000 0.917 228 E CB 0.912 30.583 29.700 -0.048 0.000 0.965 228 E HN 0.416 nan 8.360 nan 0.000 0.433 229 V N 4.032 123.907 119.914 -0.065 0.000 2.891 229 V HA 0.195 4.315 4.120 0.001 0.000 0.304 229 V C -1.128 174.923 176.094 -0.072 0.000 1.171 229 V CA -0.923 61.344 62.300 -0.056 0.000 0.943 229 V CB 2.043 33.842 31.823 -0.040 0.000 1.037 229 V HN 0.697 nan 8.190 nan 0.000 0.427 230 K N 6.411 126.775 120.400 -0.060 0.000 2.527 230 K HA 0.147 4.467 4.320 0.001 0.000 0.278 230 K C -2.359 174.217 176.600 -0.040 0.000 0.981 230 K CA -0.851 55.389 56.287 -0.077 0.000 1.009 230 K CB 0.096 32.549 32.500 -0.078 0.000 0.895 230 K HN 0.489 nan 8.250 nan 0.000 0.493 231 P HA -0.112 nan 4.420 nan 0.000 0.266 231 P C -0.649 176.825 177.300 0.289 0.000 1.193 231 P CA 0.522 63.692 63.100 0.118 0.000 0.770 231 P CB 0.453 32.269 31.700 0.193 0.000 0.836 232 H N 3.967 123.194 119.070 0.260 0.000 2.504 232 H HA 0.204 4.760 4.556 0.001 0.000 0.322 232 H C -1.666 173.800 175.328 0.230 0.000 1.055 232 H CA -2.129 54.051 56.048 0.219 0.000 1.231 232 H CB 1.236 31.065 29.762 0.112 0.000 1.417 232 H HN 0.132 nan 8.280 nan 0.000 0.472 233 P HA -0.287 nan 4.420 nan 0.000 0.221 233 P C 1.215 178.601 177.300 0.143 0.000 1.160 233 P CA 1.676 64.741 63.100 -0.058 0.000 0.933 233 P CB -0.252 30.951 31.700 -0.828 0.000 0.793 234 Y N -0.020 120.235 120.300 -0.075 0.000 2.483 234 Y HA 0.011 4.561 4.550 0.001 0.000 0.291 234 Y C 1.727 177.651 175.900 0.040 0.000 1.143 234 Y CA 1.506 59.556 58.100 -0.084 0.000 1.289 234 Y CB -0.634 37.717 38.460 -0.181 0.000 0.983 234 Y HN -0.118 nan 8.280 nan 0.000 0.556 235 G N 0.344 109.212 108.800 0.113 0.000 4.044 235 G HA2 0.433 4.394 3.960 0.001 0.000 0.297 235 G HA3 0.433 4.394 3.960 0.001 0.000 0.297 235 G C -1.104 173.760 174.900 -0.061 0.000 1.101 235 G CA 0.396 45.504 45.100 0.013 0.000 0.884 235 G HN 0.240 nan 8.290 nan 0.000 0.538 236 V N -1.899 117.996 119.914 -0.032 0.000 3.007 236 V HA 0.919 5.039 4.120 0.001 0.000 0.311 236 V C -1.126 174.907 176.094 -0.102 0.000 1.120 236 V CA -1.147 61.104 62.300 -0.082 0.000 0.980 236 V CB 2.134 34.014 31.823 0.095 0.000 1.033 236 V HN 0.244 nan 8.190 nan 0.000 0.429 237 D N 0.570 120.900 120.400 -0.117 0.000 2.798 237 D HA 0.507 5.148 4.640 0.001 0.000 0.308 237 D C 0.881 177.127 176.300 -0.090 0.000 1.187 237 D CA -0.845 53.083 54.000 -0.119 0.000 1.033 237 D CB 1.036 41.765 40.800 -0.117 0.000 1.445 237 D HN 0.386 nan 8.370 nan 0.000 0.550 238 R N 0.340 120.790 120.500 -0.084 0.000 2.222 238 R HA -0.301 4.040 4.340 0.001 0.000 0.235 238 R C 1.730 178.007 176.300 -0.039 0.000 1.112 238 R CA 2.584 58.648 56.100 -0.061 0.000 0.897 238 R CB -0.925 29.342 30.300 -0.055 0.000 0.882 238 R HN 0.622 nan 8.270 nan 0.000 0.429 239 E N 0.261 120.437 120.200 -0.039 0.000 2.086 239 E HA -0.270 4.080 4.350 0.001 0.000 0.205 239 E C 2.064 178.664 176.600 -0.000 0.000 1.027 239 E CA 2.015 58.400 56.400 -0.025 0.000 0.830 239 E CB -0.144 29.538 29.700 -0.031 0.000 0.751 239 E HN 0.365 nan 8.360 nan 0.000 0.456 240 E N 0.531 120.735 120.200 0.005 0.000 2.006 240 E HA -0.151 4.199 4.350 0.001 0.000 0.192 240 E C 2.040 178.691 176.600 0.084 0.000 0.993 240 E CA 0.652 57.085 56.400 0.054 0.000 0.808 240 E CB -0.353 29.386 29.700 0.064 0.000 0.764 240 E HN 0.095 nan 8.360 nan 0.000 0.449 241 I N 1.508 122.134 120.570 0.093 0.000 2.161 241 I HA -0.416 3.754 4.170 0.001 0.000 0.246 241 I C 2.020 178.207 176.117 0.117 0.000 1.048 241 I CA 1.669 63.064 61.300 0.158 0.000 1.314 241 I CB -0.366 37.693 38.000 0.098 0.000 1.014 241 I HN 0.088 nan 8.210 nan 0.000 0.418 242 K N -0.002 120.427 120.400 0.047 0.000 2.044 242 K HA -0.202 4.119 4.320 0.001 0.000 0.210 242 K C 2.023 178.640 176.600 0.028 0.000 1.049 242 K CA 2.253 58.550 56.287 0.017 0.000 0.927 242 K CB -0.440 32.059 32.500 -0.001 0.000 0.713 242 K HN 0.570 nan 8.250 nan 0.000 0.443 243 I N -1.730 118.867 120.570 0.045 0.000 3.059 243 I HA -0.103 4.067 4.170 0.001 0.000 0.270 243 I C 1.676 177.829 176.117 0.060 0.000 1.238 243 I CA 0.799 62.127 61.300 0.046 0.000 1.478 243 I CB -0.215 37.815 38.000 0.050 0.000 1.097 243 I HN 0.013 nan 8.210 nan 0.000 0.455 244 L N 0.976 122.253 121.223 0.090 0.000 2.141 244 L HA -0.079 4.261 4.340 0.001 0.000 0.209 244 L C 2.539 179.471 176.870 0.104 0.000 1.094 244 L CA 1.310 56.213 54.840 0.106 0.000 0.763 244 L CB -0.286 41.873 42.059 0.166 0.000 0.908 244 L HN 0.285 nan 8.230 nan 0.000 0.437 245 I N -0.690 119.915 120.570 0.058 0.000 2.296 245 I HA -0.226 3.945 4.170 0.001 0.000 0.242 245 I C 1.838 177.946 176.117 -0.016 0.000 1.087 245 I CA 1.246 62.518 61.300 -0.047 0.000 1.393 245 I CB -0.267 37.646 38.000 -0.145 0.000 1.093 245 I HN 0.253 nan 8.210 nan 0.000 0.421 246 N N 0.842 119.540 118.700 -0.003 0.000 2.515 246 N HA -0.078 4.662 4.740 0.001 0.000 0.191 246 N C 1.033 176.556 175.510 0.023 0.000 1.182 246 N CA 0.092 53.146 53.050 0.006 0.000 0.879 246 N CB -0.068 38.420 38.487 0.003 0.000 0.984 246 N HN 0.319 nan 8.380 nan 0.000 0.453 247 N N -0.311 118.408 118.700 0.032 0.000 2.204 247 N HA 0.150 4.891 4.740 0.001 0.000 0.219 247 N C -0.276 175.266 175.510 0.053 0.000 1.151 247 N CA -0.278 52.795 53.050 0.040 0.000 0.867 247 N CB 0.578 39.088 38.487 0.039 0.000 1.043 247 N HN 0.083 nan 8.380 nan 0.000 0.516 248 L N 0.275 121.538 121.223 0.066 0.000 2.567 248 L HA 0.291 4.632 4.340 0.001 0.000 0.238 248 L C 1.125 178.059 176.870 0.107 0.000 1.168 248 L CA -0.192 54.717 54.840 0.116 0.000 0.817 248 L CB 0.771 42.929 42.059 0.166 0.000 1.409 248 L HN -0.047 nan 8.230 nan 0.000 0.502 249 K N -0.953 119.531 120.400 0.140 0.000 2.511 249 K HA 0.157 4.478 4.320 0.001 0.000 0.206 249 K C 0.128 176.754 176.600 0.045 0.000 1.333 249 K CA -0.128 56.206 56.287 0.079 0.000 0.957 249 K CB 0.998 33.539 32.500 0.068 0.000 1.172 249 K HN 0.494 nan 8.250 nan 0.000 0.547 250 R N 0.052 120.577 120.500 0.042 0.000 3.076 250 R HA 0.326 4.667 4.340 0.001 0.000 0.239 250 R C -1.357 174.924 176.300 -0.031 0.000 1.392 250 R CA -0.720 55.346 56.100 -0.056 0.000 1.044 250 R CB 0.447 30.629 30.300 -0.197 0.000 1.389 250 R HN -0.299 nan 8.270 nan 0.000 0.498 251 D N 1.148 121.497 120.400 -0.085 0.000 2.564 251 D HA 0.213 4.854 4.640 0.001 0.000 0.226 251 D C -1.000 175.284 176.300 -0.028 0.000 1.149 251 D CA -0.099 53.886 54.000 -0.026 0.000 0.994 251 D CB -0.361 40.424 40.800 -0.025 0.000 1.029 251 D HN 0.244 nan 8.370 nan 0.000 0.517 252 Y N 0.540 120.855 120.300 0.025 0.000 2.480 252 Y HA 0.116 4.667 4.550 0.001 0.000 0.338 252 Y C 1.751 177.677 175.900 0.044 0.000 1.220 252 Y CA 0.074 58.209 58.100 0.057 0.000 1.430 252 Y CB 0.670 39.197 38.460 0.112 0.000 1.311 252 Y HN 0.037 nan 8.280 nan 0.000 0.575 253 T N 1.413 116.108 114.554 0.236 0.000 2.810 253 T HA 0.219 4.569 4.350 0.001 0.000 0.277 253 T C 1.409 176.234 174.700 0.209 0.000 0.973 253 T CA -0.495 61.702 62.100 0.161 0.000 0.949 253 T CB 0.432 69.374 68.868 0.123 0.000 1.075 253 T HN 0.653 nan 8.240 nan 0.000 0.537 254 I N 0.666 121.333 120.570 0.162 0.000 2.226 254 I HA -0.076 4.094 4.170 0.001 0.000 0.245 254 I C 2.499 178.786 176.117 0.282 0.000 1.100 254 I CA 1.256 62.690 61.300 0.224 0.000 1.374 254 I CB -0.447 37.646 38.000 0.155 0.000 1.057 254 I HN 0.690 nan 8.210 nan 0.000 0.413 255 K N 1.739 122.258 120.400 0.197 0.000 1.972 255 K HA -0.255 4.066 4.320 0.001 0.000 0.227 255 K C 1.775 178.496 176.600 0.202 0.000 1.046 255 K CA 2.045 58.433 56.287 0.168 0.000 1.013 255 K CB -0.565 32.008 32.500 0.121 0.000 0.741 255 K HN 0.212 nan 8.250 nan 0.000 0.446 256 E N -0.858 119.472 120.200 0.216 0.000 2.217 256 E HA -0.290 4.061 4.350 0.001 0.000 0.219 256 E C 1.987 178.722 176.600 0.224 0.000 1.070 256 E CA 1.996 58.546 56.400 0.249 0.000 0.889 256 E CB -0.486 29.457 29.700 0.406 0.000 0.768 256 E HN 0.430 nan 8.360 nan 0.000 0.465 257 F N 0.924 120.941 119.950 0.111 0.000 2.171 257 F HA -0.110 4.418 4.527 0.001 0.000 0.300 257 F C 1.908 177.837 175.800 0.216 0.000 1.090 257 F CA 1.129 59.152 58.000 0.038 0.000 1.293 257 F CB -0.010 39.025 39.000 0.058 0.000 1.013 257 F HN -0.084 nan 8.300 nan 0.000 0.486 258 L N -0.782 120.541 121.223 0.167 0.000 2.610 258 L HA -0.047 4.294 4.340 0.001 0.000 0.232 258 L C 1.409 178.377 176.870 0.163 0.000 1.149 258 L CA -0.019 54.913 54.840 0.155 0.000 0.872 258 L CB -0.066 42.089 42.059 0.159 0.000 0.992 258 L HN 0.099 nan 8.230 nan 0.000 0.447 259 V N -1.788 118.193 119.914 0.113 0.000 2.950 259 V HA 0.047 4.168 4.120 0.001 0.000 0.231 259 V C 1.005 177.128 176.094 0.047 0.000 1.205 259 V CA 0.344 62.693 62.300 0.082 0.000 1.239 259 V CB -0.018 31.844 31.823 0.065 0.000 1.050 259 V HN 0.302 nan 8.190 nan 0.000 0.498 260 N N 1.046 119.753 118.700 0.013 0.000 2.413 260 N HA 0.065 4.806 4.740 0.001 0.000 0.207 260 N C 0.839 176.263 175.510 -0.144 0.000 1.206 260 N CA 0.343 53.380 53.050 -0.023 0.000 0.832 260 N CB 0.126 38.642 38.487 0.048 0.000 1.037 260 N HN 0.483 nan 8.380 nan 0.000 0.467 261 E N -0.842 119.211 120.200 -0.245 0.000 2.633 261 E HA 0.188 4.538 4.350 0.001 0.000 0.222 261 E C -0.602 175.539 176.600 -0.765 0.000 0.899 261 E CA 0.120 56.183 56.400 -0.562 0.000 1.292 261 E CB 0.729 29.886 29.700 -0.906 0.000 1.257 261 E HN 0.143 nan 8.360 nan 0.000 0.626 262 F N 1.007 120.876 119.950 -0.135 0.000 2.588 262 F HA 0.371 4.899 4.527 0.001 0.000 0.314 262 F C 0.535 176.289 175.800 -0.077 0.000 1.069 262 F CA -0.967 56.981 58.000 -0.086 0.000 0.931 262 F CB 1.266 40.225 39.000 -0.069 0.000 1.260 262 F HN -0.376 nan 8.300 nan 0.000 0.465 263 Q N 0.836 120.705 119.800 0.115 0.000 2.255 263 Q HA 0.268 4.609 4.340 0.001 0.000 0.280 263 Q C 0.259 176.256 176.000 -0.005 0.000 1.068 263 Q CA 0.676 56.510 55.803 0.051 0.000 0.911 263 Q CB 0.570 29.370 28.738 0.104 0.000 1.157 263 Q HN 0.782 nan 8.270 nan 0.000 0.380 264 S N 2.832 118.549 115.700 0.029 0.000 3.500 264 S HA -0.070 4.401 4.470 0.001 0.000 0.276 264 S C -0.611 173.968 174.600 -0.036 0.000 1.265 264 S CA -0.169 58.046 58.200 0.026 0.000 0.768 264 S CB -0.966 62.301 63.200 0.112 0.000 0.965 264 S HN 0.651 nan 8.310 nan 0.000 0.673 265 I N 1.883 122.436 120.570 -0.027 0.000 2.796 265 I HA 0.420 4.591 4.170 0.001 0.000 0.279 265 I C 0.980 177.072 176.117 -0.042 0.000 1.289 265 I CA -0.457 60.805 61.300 -0.063 0.000 1.021 265 I CB 0.677 38.655 38.000 -0.037 0.000 1.414 265 I HN 0.315 nan 8.210 nan 0.000 0.562 266 G N 1.785 110.550 108.800 -0.059 0.000 2.621 266 G HA2 0.033 3.993 3.960 0.001 0.000 0.271 266 G HA3 0.033 3.993 3.960 0.001 0.000 0.271 266 G C 0.614 175.493 174.900 -0.035 0.000 1.236 266 G CA 0.069 45.147 45.100 -0.037 0.000 0.958 266 G HN 0.583 nan 8.290 nan 0.000 0.512 267 D N -1.001 119.387 120.400 -0.020 0.000 2.137 267 D HA -0.235 4.406 4.640 0.001 0.000 0.189 267 D C 2.664 178.948 176.300 -0.025 0.000 0.998 267 D CA 3.171 57.163 54.000 -0.012 0.000 0.839 267 D CB -0.388 40.408 40.800 -0.006 0.000 0.962 267 D HN 0.402 nan 8.370 nan 0.000 0.446 268 T N -3.377 111.156 114.554 -0.035 0.000 2.904 268 T HA -0.069 4.282 4.350 0.001 0.000 0.267 268 T C 2.016 176.674 174.700 -0.071 0.000 1.059 268 T CA 1.664 63.737 62.100 -0.044 0.000 1.137 268 T CB -0.993 67.851 68.868 -0.041 0.000 0.879 268 T HN 0.093 nan 8.240 nan 0.000 0.467 269 T N 2.083 116.581 114.554 -0.092 0.000 2.803 269 T HA 0.090 4.440 4.350 0.001 0.000 0.269 269 T C 2.375 176.975 174.700 -0.166 0.000 1.052 269 T CA 1.196 63.206 62.100 -0.151 0.000 1.136 269 T CB -0.585 68.181 68.868 -0.170 0.000 0.864 269 T HN 0.608 nan 8.240 nan 0.000 0.467 270 A N 1.794 124.549 122.820 -0.108 0.000 1.861 270 A HA 0.013 4.333 4.320 0.001 0.000 0.212 270 A C 2.038 179.593 177.584 -0.048 0.000 1.199 270 A CA 1.254 53.242 52.037 -0.081 0.000 0.613 270 A CB -0.809 18.172 19.000 -0.033 0.000 0.846 270 A HN 0.326 nan 8.150 nan 0.000 0.446 271 D N 0.110 120.492 120.400 -0.029 0.000 2.218 271 D HA -0.190 4.451 4.640 0.001 0.000 0.194 271 D C 1.815 178.105 176.300 -0.016 0.000 1.007 271 D CA 1.609 55.602 54.000 -0.011 0.000 0.879 271 D CB -0.078 40.716 40.800 -0.011 0.000 0.918 271 D HN 0.459 nan 8.370 nan 0.000 0.449 272 K N -0.177 120.198 120.400 -0.040 0.000 2.288 272 K HA -0.034 4.287 4.320 0.001 0.000 0.201 272 K C 1.813 178.395 176.600 -0.030 0.000 1.048 272 K CA 0.388 56.651 56.287 -0.040 0.000 0.956 272 K CB 0.188 32.651 32.500 -0.063 0.000 0.746 272 K HN 0.264 nan 8.250 nan 0.000 0.461 273 I N 1.031 121.580 120.570 -0.036 0.000 2.439 273 I HA -0.199 3.972 4.170 0.001 0.000 0.251 273 I C 2.084 178.226 176.117 0.042 0.000 1.139 273 I CA 1.234 62.533 61.300 -0.001 0.000 1.438 273 I CB -0.755 37.238 38.000 -0.011 0.000 1.085 273 I HN 0.130 nan 8.210 nan 0.000 0.427 274 L N 0.340 121.585 121.223 0.036 0.000 2.291 274 L HA -0.136 4.204 4.340 0.001 0.000 0.214 274 L C 2.453 179.344 176.870 0.034 0.000 1.120 274 L CA 0.748 55.617 54.840 0.047 0.000 0.799 274 L CB -0.377 41.710 42.059 0.046 0.000 0.925 274 L HN 0.165 nan 8.230 nan 0.000 0.446 275 E N 0.357 120.569 120.200 0.021 0.000 2.107 275 E HA -0.141 4.210 4.350 0.001 0.000 0.191 275 E C 2.106 178.718 176.600 0.020 0.000 0.982 275 E CA 0.888 57.297 56.400 0.015 0.000 0.809 275 E CB 0.080 29.782 29.700 0.005 0.000 0.756 275 E HN 0.324 nan 8.360 nan 0.000 0.459 276 L N -0.081 121.157 121.223 0.025 0.000 1.938 276 L HA -0.080 4.261 4.340 0.001 0.000 0.212 276 L C 2.437 179.333 176.870 0.042 0.000 1.085 276 L CA 1.100 55.960 54.840 0.034 0.000 0.760 276 L CB -0.823 41.262 42.059 0.042 0.000 0.888 276 L HN 0.226 nan 8.230 nan 0.000 0.433 277 A N -0.033 122.822 122.820 0.059 0.000 2.148 277 A HA -0.090 4.230 4.320 0.001 0.000 0.222 277 A C 1.384 178.993 177.584 0.042 0.000 1.161 277 A CA 1.097 53.168 52.037 0.057 0.000 0.662 277 A CB -1.280 17.767 19.000 0.077 0.000 0.799 277 A HN 0.783 nan 8.150 nan 0.000 0.466 278 G N -1.188 107.635 108.800 0.038 0.000 2.415 278 G HA2 -0.124 3.837 3.960 0.001 0.000 0.283 278 G HA3 -0.124 3.837 3.960 0.001 0.000 0.283 278 G C -0.442 174.477 174.900 0.031 0.000 1.014 278 G CA 0.412 45.530 45.100 0.030 0.000 1.323 278 G HN 0.714 nan 8.290 nan 0.000 0.502 279 L N 0.282 121.527 121.223 0.037 0.000 2.401 279 L HA 0.520 4.861 4.340 0.001 0.000 0.266 279 L C 0.683 177.576 176.870 0.038 0.000 0.991 279 L CA -1.292 53.571 54.840 0.039 0.000 0.818 279 L CB 1.946 44.036 42.059 0.052 0.000 1.321 279 L HN 0.189 nan 8.230 nan 0.000 0.413 280 K N 2.494 122.914 120.400 0.033 0.000 2.436 280 K HA 0.080 4.401 4.320 0.001 0.000 0.275 280 K C -1.588 175.038 176.600 0.044 0.000 0.999 280 K CA -1.045 55.262 56.287 0.033 0.000 0.980 280 K CB 0.773 33.290 32.500 0.027 0.000 0.919 280 K HN 0.355 nan 8.250 nan 0.000 0.484 281 P HA -0.031 nan 4.420 nan 0.000 0.220 281 P C -0.229 177.108 177.300 0.061 0.000 1.154 281 P CA 0.921 64.054 63.100 0.056 0.000 0.837 281 P CB 0.313 32.041 31.700 0.046 0.000 0.815 282 N N 0.896 119.625 118.700 0.048 0.000 3.209 282 N HA 0.122 4.863 4.740 0.001 0.000 0.309 282 N C -0.142 175.392 175.510 0.041 0.000 1.384 282 N CA 0.195 53.273 53.050 0.047 0.000 1.173 282 N CB -0.019 38.490 38.487 0.036 0.000 1.460 282 N HN 0.265 nan 8.380 nan 0.000 0.534 283 K N 1.192 121.620 120.400 0.047 0.000 2.270 283 K HA 0.203 4.523 4.320 0.001 0.000 0.255 283 K C -0.047 176.574 176.600 0.035 0.000 0.936 283 K CA -0.832 55.476 56.287 0.035 0.000 0.809 283 K CB 1.417 33.935 32.500 0.029 0.000 1.131 283 K HN 0.012 nan 8.250 nan 0.000 0.427 284 K N 2.629 123.043 120.400 0.022 0.000 2.559 284 K HA -0.070 4.251 4.320 0.001 0.000 0.279 284 K C 0.707 177.305 176.600 -0.003 0.000 0.967 284 K CA 0.008 56.304 56.287 0.015 0.000 1.000 284 K CB 0.672 33.175 32.500 0.005 0.000 0.890 284 K HN 0.391 nan 8.250 nan 0.000 0.501 285 V N 2.586 122.489 119.914 -0.018 0.000 2.379 285 V HA -0.198 3.923 4.120 0.001 0.000 0.243 285 V C 2.385 178.413 176.094 -0.110 0.000 1.035 285 V CA 1.814 64.055 62.300 -0.100 0.000 1.035 285 V CB -0.454 31.261 31.823 -0.181 0.000 0.673 285 V HN 0.995 nan 8.190 nan 0.000 0.457 286 K N 0.084 120.443 120.400 -0.068 0.000 2.520 286 K HA -0.157 4.163 4.320 0.001 0.000 0.197 286 K C 0.777 177.349 176.600 -0.047 0.000 1.044 286 K CA 1.893 58.146 56.287 -0.057 0.000 0.938 286 K CB -0.593 31.890 32.500 -0.029 0.000 0.767 286 K HN 0.536 nan 8.250 nan 0.000 0.481 287 N N 1.348 120.023 118.700 -0.042 0.000 2.839 287 N HA 0.176 4.917 4.740 0.001 0.000 0.314 287 N C -1.243 174.248 175.510 -0.032 0.000 1.449 287 N CA -0.193 52.840 53.050 -0.029 0.000 1.050 287 N CB 0.423 38.900 38.487 -0.017 0.000 1.364 287 N HN 0.151 nan 8.380 nan 0.000 0.512 288 L N 1.317 122.514 121.223 -0.043 0.000 2.319 288 L HA 0.295 4.635 4.340 0.001 0.000 0.281 288 L C 1.108 177.959 176.870 -0.032 0.000 1.005 288 L CA -0.697 54.119 54.840 -0.039 0.000 0.828 288 L CB 1.500 43.524 42.059 -0.059 0.000 1.227 288 L HN 0.173 nan 8.230 nan 0.000 0.415 289 T N -1.850 112.691 114.554 -0.023 0.000 2.748 289 T HA 0.058 4.408 4.350 0.001 0.000 0.304 289 T C 1.047 175.734 174.700 -0.022 0.000 1.041 289 T CA -0.423 61.665 62.100 -0.020 0.000 1.033 289 T CB 1.141 70.000 68.868 -0.014 0.000 0.995 289 T HN 0.539 nan 8.240 nan 0.000 0.536 290 E N 0.028 120.215 120.200 -0.021 0.000 2.153 290 E HA -0.137 4.213 4.350 0.001 0.000 0.194 290 E C 1.931 178.518 176.600 -0.023 0.000 0.988 290 E CA 1.104 57.490 56.400 -0.023 0.000 0.811 290 E CB -0.046 29.641 29.700 -0.021 0.000 0.746 290 E HN 0.856 nan 8.360 nan 0.000 0.466 291 E N 1.097 121.287 120.200 -0.018 0.000 2.102 291 E HA -0.114 4.236 4.350 0.001 0.000 0.190 291 E C 1.628 178.220 176.600 -0.014 0.000 0.971 291 E CA 0.370 56.761 56.400 -0.016 0.000 0.821 291 E CB 0.133 29.826 29.700 -0.011 0.000 0.777 291 E HN 0.235 nan 8.360 nan 0.000 0.460 292 E N 0.889 121.082 120.200 -0.011 0.000 2.086 292 E HA -0.215 4.135 4.350 0.001 0.000 0.200 292 E C 2.310 178.903 176.600 -0.012 0.000 1.012 292 E CA 1.749 58.145 56.400 -0.007 0.000 0.812 292 E CB -0.246 29.451 29.700 -0.005 0.000 0.743 292 E HN 0.340 nan 8.360 nan 0.000 0.453 293 I N 0.901 121.457 120.570 -0.023 0.000 2.068 293 I HA -0.356 3.815 4.170 0.001 0.000 0.238 293 I C 2.550 178.635 176.117 -0.052 0.000 1.046 293 I CA 1.675 62.952 61.300 -0.037 0.000 1.306 293 I CB -0.844 37.132 38.000 -0.041 0.000 1.023 293 I HN 0.136 nan 8.210 nan 0.000 0.399 294 T N 0.163 114.691 114.554 -0.044 0.000 2.665 294 T HA -0.280 4.071 4.350 0.001 0.000 0.268 294 T C 1.966 176.648 174.700 -0.031 0.000 1.035 294 T CA 1.641 63.714 62.100 -0.045 0.000 1.151 294 T CB -0.446 68.403 68.868 -0.033 0.000 0.862 294 T HN 0.294 nan 8.240 nan 0.000 0.438 295 R N 0.331 120.823 120.500 -0.014 0.000 2.261 295 R HA -0.086 4.255 4.340 0.001 0.000 0.236 295 R C 2.175 178.486 176.300 0.018 0.000 1.141 295 R CA 0.851 56.953 56.100 0.005 0.000 1.001 295 R CB -0.282 30.023 30.300 0.009 0.000 0.866 295 R HN 0.323 nan 8.270 nan 0.000 0.468 296 L N -0.644 120.577 121.223 -0.003 0.000 2.130 296 L HA -0.021 4.320 4.340 0.001 0.000 0.200 296 L C 2.001 178.855 176.870 -0.026 0.000 1.075 296 L CA 1.243 56.087 54.840 0.006 0.000 0.768 296 L CB -0.656 41.377 42.059 -0.043 0.000 0.933 296 L HN -0.069 nan 8.230 nan 0.000 0.451 297 V N -0.026 119.800 119.914 -0.147 0.000 2.688 297 V HA -0.276 3.845 4.120 0.001 0.000 0.256 297 V C 2.378 178.468 176.094 -0.008 0.000 1.084 297 V CA 1.922 64.110 62.300 -0.187 0.000 1.103 297 V CB -0.347 31.363 31.823 -0.189 0.000 0.688 297 V HN 0.587 nan 8.190 nan 0.000 0.480 298 E N -0.064 120.148 120.200 0.021 0.000 2.006 298 E HA -0.196 4.155 4.350 0.001 0.000 0.192 298 E C 2.255 178.922 176.600 0.111 0.000 0.993 298 E CA 1.976 58.406 56.400 0.050 0.000 0.808 298 E CB -0.371 29.350 29.700 0.035 0.000 0.764 298 E HN 0.832 nan 8.360 nan 0.000 0.449 299 T N -0.615 114.024 114.554 0.141 0.000 2.849 299 T HA -0.173 4.178 4.350 0.001 0.000 0.270 299 T C 1.711 176.559 174.700 0.247 0.000 1.066 299 T CA 0.804 63.005 62.100 0.168 0.000 1.130 299 T CB -0.436 68.522 68.868 0.151 0.000 0.864 299 T HN -0.032 nan 8.240 nan 0.000 0.481 300 F N 2.195 122.165 119.950 0.034 0.000 2.046 300 F HA 0.079 4.606 4.527 0.001 0.000 0.297 300 F C 2.595 178.422 175.800 0.044 0.000 1.123 300 F CA 1.150 59.165 58.000 0.026 0.000 1.199 300 F CB -0.445 38.512 39.000 -0.071 0.000 0.972 300 F HN 0.112 nan 8.300 nan 0.000 0.474 301 K N -0.274 120.250 120.400 0.208 0.000 2.152 301 K HA -0.205 4.116 4.320 0.001 0.000 0.206 301 K C 1.985 178.701 176.600 0.192 0.000 1.048 301 K CA 1.540 57.893 56.287 0.109 0.000 0.933 301 K CB -0.103 32.410 32.500 0.020 0.000 0.721 301 K HN 0.274 nan 8.250 nan 0.000 0.447 302 K N 0.420 120.920 120.400 0.166 0.000 2.141 302 K HA -0.031 4.290 4.320 0.001 0.000 0.202 302 K C 0.290 176.985 176.600 0.158 0.000 1.045 302 K CA -0.053 56.321 56.287 0.144 0.000 0.971 302 K CB 0.015 32.575 32.500 0.100 0.000 0.795 302 K HN 0.008 nan 8.250 nan 0.000 0.459 303 D N 1.866 122.378 120.400 0.186 0.000 2.836 303 D HA -0.138 4.502 4.640 0.001 0.000 0.220 303 D C 0.858 177.291 176.300 0.222 0.000 1.094 303 D CA 0.632 54.750 54.000 0.197 0.000 0.820 303 D CB 0.641 41.603 40.800 0.270 0.000 1.171 303 D HN 0.070 nan 8.370 nan 0.000 0.507 304 E N 2.186 122.453 120.200 0.113 0.000 2.011 304 E HA -0.085 4.266 4.350 0.001 0.000 0.191 304 E C 0.328 176.989 176.600 0.103 0.000 0.980 304 E CA 0.856 57.304 56.400 0.080 0.000 0.814 304 E CB -0.193 29.524 29.700 0.029 0.000 0.775 304 E HN 0.726 nan 8.360 nan 0.000 0.454 305 D N 0.289 120.711 120.400 0.036 0.000 2.456 305 D HA 0.147 4.788 4.640 0.001 0.000 0.219 305 D C -0.346 175.925 176.300 -0.048 0.000 1.126 305 D CA -0.204 53.803 54.000 0.012 0.000 0.890 305 D CB -0.049 40.727 40.800 -0.041 0.000 1.025 305 D HN -0.135 nan 8.370 nan 0.000 0.511 306 F N 1.083 121.004 119.950 -0.049 0.000 2.456 306 F HA 0.493 5.020 4.527 0.001 0.000 0.364 306 F C 1.635 177.434 175.800 -0.001 0.000 1.092 306 F CA -0.960 57.024 58.000 -0.027 0.000 1.125 306 F CB 0.971 39.987 39.000 0.027 0.000 1.543 306 F HN 0.009 nan 8.300 nan 0.000 0.504 307 R N -0.763 119.900 120.500 0.273 0.000 2.740 307 R HA 0.438 4.779 4.340 0.001 0.000 0.223 307 R C -0.862 175.541 176.300 0.172 0.000 1.362 307 R CA -0.776 55.419 56.100 0.159 0.000 1.069 307 R CB 0.818 31.184 30.300 0.110 0.000 1.739 307 R HN 0.460 nan 8.270 nan 0.000 0.533 308 S N 0.717 116.466 115.700 0.082 0.000 2.562 308 S HA 0.313 4.783 4.470 0.001 0.000 0.275 308 S C -2.318 172.291 174.600 0.015 0.000 1.281 308 S CA -1.554 56.651 58.200 0.008 0.000 1.045 308 S CB 0.699 63.883 63.200 -0.026 0.000 0.962 308 S HN 0.193 nan 8.310 nan 0.000 0.503 309 P HA 0.059 nan 4.420 nan 0.000 0.257 309 P C -0.435 176.854 177.300 -0.019 0.000 1.227 309 P CA 0.095 63.130 63.100 -0.109 0.000 0.981 309 P CB -0.078 31.485 31.700 -0.229 0.000 1.044 310 S N 3.340 119.061 115.700 0.034 0.000 2.561 310 S HA 0.063 4.534 4.470 0.001 0.000 0.294 310 S C 1.117 175.709 174.600 -0.013 0.000 1.294 310 S CA 0.135 58.340 58.200 0.009 0.000 1.055 310 S CB 0.031 63.244 63.200 0.021 0.000 0.819 310 S HN 0.450 nan 8.310 nan 0.000 0.503 311 A N 3.435 126.241 122.820 -0.023 0.000 2.507 311 A HA 0.309 4.629 4.320 0.001 0.000 0.270 311 A C 0.783 178.353 177.584 -0.023 0.000 1.318 311 A CA -0.179 51.843 52.037 -0.025 0.000 0.924 311 A CB -0.211 18.764 19.000 -0.041 0.000 1.061 311 A HN 0.839 nan 8.150 nan 0.000 0.516 312 D N 0.209 120.596 120.400 -0.022 0.000 2.363 312 D HA -0.074 4.567 4.640 0.001 0.000 0.220 312 D C 1.979 178.263 176.300 -0.026 0.000 0.994 312 D CA 1.302 55.288 54.000 -0.024 0.000 0.890 312 D CB 0.079 40.865 40.800 -0.022 0.000 0.906 312 D HN 0.532 nan 8.370 nan 0.000 0.530 313 S N -0.815 114.870 115.700 -0.025 0.000 2.562 313 S HA 0.088 4.558 4.470 0.001 0.000 0.221 313 S C 0.811 175.406 174.600 -0.008 0.000 0.975 313 S CA -0.176 58.008 58.200 -0.027 0.000 0.918 313 S CB 0.089 63.263 63.200 -0.043 0.000 0.772 313 S HN 0.104 nan 8.310 nan 0.000 0.531 314 L N 0.783 122.005 121.223 -0.002 0.000 2.416 314 L HA 0.666 5.007 4.340 0.001 0.000 0.263 314 L C 0.186 177.058 176.870 0.002 0.000 1.065 314 L CA -0.586 54.262 54.840 0.013 0.000 0.798 314 L CB 1.757 43.826 42.059 0.015 0.000 1.267 314 L HN 0.206 nan 8.230 nan 0.000 0.467 315 S N -0.270 115.438 115.700 0.013 0.000 2.533 315 S HA 0.695 5.166 4.470 0.001 0.000 0.271 315 S C -1.258 173.346 174.600 0.007 0.000 1.143 315 S CA -0.626 57.580 58.200 0.009 0.000 0.891 315 S CB 1.577 64.791 63.200 0.024 0.000 1.105 315 S HN 0.346 nan 8.310 nan 0.000 0.468 316 V N 3.705 123.612 119.914 -0.011 0.000 2.960 316 V HA 0.641 4.762 4.120 0.001 0.000 0.315 316 V C 1.189 177.291 176.094 0.015 0.000 1.087 316 V CA -0.986 61.289 62.300 -0.042 0.000 0.982 316 V CB 1.222 33.004 31.823 -0.068 0.000 1.039 316 V HN 0.872 nan 8.190 nan 0.000 0.437 317 I N 1.160 121.747 120.570 0.029 0.000 2.086 317 I HA 0.292 4.463 4.170 0.001 0.000 0.233 317 I C 1.193 177.326 176.117 0.027 0.000 1.060 317 I CA 2.277 63.615 61.300 0.064 0.000 1.326 317 I CB -0.759 37.279 38.000 0.063 0.000 1.067 317 I HN 1.096 nan 8.210 nan 0.000 0.398 318 G N 1.081 109.880 108.800 -0.001 0.000 2.542 318 G HA2 -0.070 3.890 3.960 0.001 0.000 0.391 318 G HA3 -0.070 3.890 3.960 0.001 0.000 0.391 318 G C -0.112 174.779 174.900 -0.014 0.000 1.551 318 G CA -0.680 44.414 45.100 -0.010 0.000 0.946 318 G HN 0.285 nan 8.290 nan 0.000 0.662 319 E N 0.613 120.802 120.200 -0.019 0.000 2.412 319 E HA -0.095 4.256 4.350 0.001 0.000 0.207 319 E C 1.183 177.769 176.600 -0.023 0.000 1.252 319 E CA 1.354 57.742 56.400 -0.020 0.000 1.004 319 E CB 0.164 29.853 29.700 -0.018 0.000 1.027 319 E HN 0.655 nan 8.360 nan 0.000 0.517 320 D N -1.855 118.533 120.400 -0.021 0.000 2.119 320 D HA -0.084 4.557 4.640 0.001 0.000 0.311 320 D C 1.812 178.100 176.300 -0.021 0.000 1.155 320 D CA -0.190 53.796 54.000 -0.023 0.000 1.036 320 D CB -0.666 40.124 40.800 -0.017 0.000 1.855 320 D HN 0.121 nan 8.370 nan 0.000 0.523 321 L N 1.036 122.254 121.223 -0.008 0.000 2.127 321 L HA -0.050 4.290 4.340 0.001 0.000 0.211 321 L C 2.741 179.590 176.870 -0.034 0.000 1.089 321 L CA 1.006 55.844 54.840 -0.004 0.000 0.757 321 L CB -0.574 41.508 42.059 0.039 0.000 0.899 321 L HN 0.030 nan 8.230 nan 0.000 0.434 322 I N -0.110 120.439 120.570 -0.034 0.000 2.058 322 I HA -0.296 3.875 4.170 0.001 0.000 0.235 322 I C 2.626 178.718 176.117 -0.042 0.000 1.053 322 I CA 1.431 62.705 61.300 -0.044 0.000 1.313 322 I CB -0.430 37.553 38.000 -0.029 0.000 1.039 322 I HN 0.282 nan 8.210 nan 0.000 0.396 323 E N 0.642 120.815 120.200 -0.044 0.000 2.055 323 E HA -0.331 4.020 4.350 0.001 0.000 0.209 323 E C 2.151 178.721 176.600 -0.051 0.000 1.036 323 E CA 1.968 58.333 56.400 -0.059 0.000 0.849 323 E CB -0.539 29.117 29.700 -0.073 0.000 0.767 323 E HN 0.301 nan 8.360 nan 0.000 0.461 324 L N 0.834 122.028 121.223 -0.048 0.000 1.963 324 L HA -0.217 4.123 4.340 0.001 0.000 0.220 324 L C 2.367 179.197 176.870 -0.066 0.000 1.076 324 L CA 2.628 57.439 54.840 -0.048 0.000 0.772 324 L CB -1.128 40.908 42.059 -0.039 0.000 0.892 324 L HN 0.238 nan 8.230 nan 0.000 0.435 325 G N -0.022 108.725 108.800 -0.089 0.000 2.681 325 G HA2 -0.354 3.606 3.960 0.001 0.000 0.220 325 G HA3 -0.354 3.606 3.960 0.001 0.000 0.220 325 G C 1.290 176.131 174.900 -0.099 0.000 1.210 325 G CA 1.662 46.678 45.100 -0.140 0.000 0.783 325 G HN 0.631 nan 8.290 nan 0.000 0.609 326 L N -1.932 119.283 121.223 -0.013 0.000 2.627 326 L HA 0.521 4.861 4.340 0.001 0.000 0.232 326 L C 1.958 178.904 176.870 0.126 0.000 1.150 326 L CA 0.862 55.771 54.840 0.116 0.000 0.917 326 L CB 0.188 42.369 42.059 0.204 0.000 1.104 326 L HN 0.147 nan 8.230 nan 0.000 0.445 327 K N 0.412 120.828 120.400 0.026 0.000 2.244 327 K HA 0.133 4.454 4.320 0.001 0.000 0.200 327 K C 1.060 177.664 176.600 0.007 0.000 1.052 327 K CA 0.041 56.340 56.287 0.019 0.000 0.980 327 K CB 0.432 32.920 32.500 -0.021 0.000 0.838 327 K HN 0.148 nan 8.250 nan 0.000 0.481 328 K N 1.014 121.394 120.400 -0.033 0.000 2.627 328 K HA 0.098 4.418 4.320 0.001 0.000 0.212 328 K C 0.926 177.485 176.600 -0.068 0.000 1.041 328 K CA 0.334 56.596 56.287 -0.042 0.000 1.205 328 K CB 0.436 32.904 32.500 -0.053 0.000 0.936 328 K HN 0.317 nan 8.250 nan 0.000 0.489 329 I N -2.120 118.392 120.570 -0.096 0.000 5.242 329 I HA 0.035 4.205 4.170 0.001 0.000 0.360 329 I C 0.118 176.051 176.117 -0.306 0.000 1.201 329 I CA 0.132 61.305 61.300 -0.213 0.000 1.527 329 I CB 0.624 38.425 38.000 -0.331 0.000 1.769 329 I HN -0.117 nan 8.210 nan 0.000 0.603 330 F N 0.937 120.879 119.950 -0.013 0.000 2.653 330 F HA 0.330 4.858 4.527 0.001 0.000 0.288 330 F C 1.138 176.924 175.800 -0.023 0.000 1.121 330 F CA 0.131 58.122 58.000 -0.015 0.000 1.384 330 F CB -0.048 38.941 39.000 -0.017 0.000 1.115 330 F HN -0.009 nan 8.300 nan 0.000 0.599 331 N N 1.820 120.606 118.700 0.142 0.000 2.614 331 N HA -0.142 4.599 4.740 0.001 0.000 0.276 331 N C -2.817 172.725 175.510 0.053 0.000 1.119 331 N CA -0.235 52.857 53.050 0.070 0.000 0.742 331 N CB -0.001 38.512 38.487 0.043 0.000 0.900 331 N HN 0.080 nan 8.380 nan 0.000 0.549 332 P HA 0.314 nan 4.420 nan 0.000 0.321 332 P C -0.137 177.144 177.300 -0.032 0.000 1.304 332 P CA -0.050 63.037 63.100 -0.023 0.000 0.759 332 P CB 0.663 32.347 31.700 -0.028 0.000 1.385 333 D N -2.269 118.091 120.400 -0.067 0.000 2.379 333 D HA 0.241 4.882 4.640 0.001 0.000 0.208 333 D C -0.304 176.033 176.300 0.062 0.000 1.065 333 D CA 0.620 54.618 54.000 -0.003 0.000 0.848 333 D CB 0.178 40.968 40.800 -0.016 0.000 0.949 333 D HN 0.203 nan 8.370 nan 0.000 0.509 334 F N 0.230 120.066 119.950 -0.190 0.000 2.688 334 F HA 0.527 5.054 4.527 0.001 0.000 0.308 334 F C -1.956 173.775 175.800 -0.114 0.000 1.117 334 F CA -0.889 56.982 58.000 -0.216 0.000 0.976 334 F CB 1.127 39.766 39.000 -0.602 0.000 1.291 334 F HN -0.186 nan 8.300 nan 0.000 0.439 335 A N 3.034 125.247 122.820 -1.011 0.000 2.556 335 A HA 1.048 5.369 4.320 0.001 0.000 0.294 335 A C -1.757 175.316 177.584 -0.852 0.000 1.091 335 A CA -0.172 51.480 52.037 -0.642 0.000 0.704 335 A CB 1.623 20.433 19.000 -0.317 0.000 1.300 335 A HN 2.031 nan 8.150 nan 0.000 0.406 336 A N 0.142 122.749 122.820 -0.356 0.000 2.599 336 A HA 0.891 5.212 4.320 0.001 0.000 0.294 336 A C -0.457 177.088 177.584 -0.064 0.000 1.055 336 A CA 0.254 52.176 52.037 -0.191 0.000 0.683 336 A CB 0.806 19.786 19.000 -0.033 0.000 1.278 336 A HN 2.518 nan 8.150 nan 0.000 0.412 337 S N -0.193 115.485 115.700 -0.038 0.000 2.671 337 S HA 0.902 5.372 4.470 0.001 0.000 0.277 337 S C -1.116 173.481 174.600 -0.004 0.000 1.165 337 S CA -0.483 57.708 58.200 -0.015 0.000 0.822 337 S CB 1.556 64.742 63.200 -0.023 0.000 1.150 337 S HN 2.272 nan 8.310 nan 0.000 0.479 338 I N 0.337 120.907 120.570 -0.000 0.000 2.731 338 I HA 0.549 4.720 4.170 0.001 0.000 0.289 338 I C -1.590 174.523 176.117 -0.008 0.000 1.399 338 I CA 0.203 61.502 61.300 -0.002 0.000 1.048 338 I CB 2.095 40.097 38.000 0.003 0.000 1.345 338 I HN 0.847 nan 8.210 nan 0.000 0.425 339 T N 6.734 121.278 114.554 -0.017 0.000 2.791 339 T HA 0.553 4.903 4.350 0.001 0.000 0.288 339 T C -0.029 174.653 174.700 -0.030 0.000 0.999 339 T CA -0.719 61.363 62.100 -0.030 0.000 0.952 339 T CB 0.972 69.816 68.868 -0.039 0.000 0.938 339 T HN 0.392 nan 8.240 nan 0.000 0.444 340 R N 2.146 122.628 120.500 -0.030 0.000 2.637 340 R HA 0.287 4.628 4.340 0.001 0.000 0.269 340 R C 0.702 176.973 176.300 -0.049 0.000 1.089 340 R CA -0.664 55.418 56.100 -0.030 0.000 1.177 340 R CB 0.758 31.047 30.300 -0.018 0.000 1.091 340 R HN 0.693 nan 8.270 nan 0.000 0.540 341 K N 1.138 121.506 120.400 -0.053 0.000 2.258 341 K HA 0.267 4.587 4.320 0.001 0.000 0.264 341 K C -2.309 174.225 176.600 -0.111 0.000 1.007 341 K CA -1.367 54.878 56.287 -0.070 0.000 0.941 341 K CB 0.096 32.560 32.500 -0.060 0.000 0.966 341 K HN 0.167 nan 8.250 nan 0.000 0.480 342 P HA 0.172 nan 4.420 nan 0.000 0.281 342 P C -0.890 176.225 177.300 -0.307 0.000 1.252 342 P CA -0.463 62.508 63.100 -0.217 0.000 0.778 342 P CB 0.960 32.564 31.700 -0.159 0.000 0.895 343 K N 1.539 121.585 120.400 -0.590 0.000 2.583 343 K HA 0.871 5.192 4.320 0.001 0.000 0.263 343 K C -0.297 175.872 176.600 -0.718 0.000 1.038 343 K CA -0.842 55.055 56.287 -0.650 0.000 1.031 343 K CB 1.141 33.216 32.500 -0.707 0.000 1.399 343 K HN 0.466 nan 8.250 nan 0.000 0.531 344 A N 0.455 123.049 122.820 -0.377 0.000 2.455 344 A HA 0.566 4.887 4.320 0.001 0.000 0.300 344 A C -2.068 175.740 177.584 0.374 0.000 1.040 344 A CA -0.544 51.484 52.037 -0.013 0.000 0.697 344 A CB 1.099 20.066 19.000 -0.056 0.000 1.265 344 A HN 0.623 nan 8.150 nan 0.000 0.407 345 Y N 1.479 121.986 120.300 0.346 0.000 2.396 345 Y HA 0.444 4.995 4.550 0.001 0.000 0.332 345 Y C 0.068 176.105 175.900 0.229 0.000 1.034 345 Y CA -0.203 58.074 58.100 0.295 0.000 1.057 345 Y CB 1.611 40.235 38.460 0.274 0.000 1.220 345 Y HN 0.895 nan 8.280 nan 0.000 0.440 346 Q N 4.979 124.524 119.800 -0.424 0.000 2.391 346 Q HA -0.253 4.087 4.340 0.001 0.000 0.366 346 Q C 1.178 177.275 176.000 0.163 0.000 1.305 346 Q CA 1.413 57.107 55.803 -0.182 0.000 1.123 346 Q CB -1.140 27.252 28.738 -0.577 0.000 1.259 346 Q HN 1.342 nan 8.270 nan 0.000 0.307 347 G N 0.181 109.168 108.800 0.312 0.000 2.205 347 G HA2 -0.338 3.623 3.960 0.001 0.000 0.269 347 G HA3 -0.338 3.623 3.960 0.001 0.000 0.269 347 G C -0.067 174.995 174.900 0.269 0.000 0.977 347 G CA 0.855 46.115 45.100 0.267 0.000 0.652 347 G HN 0.754 nan 8.290 nan 0.000 0.539 348 H N 0.243 119.379 119.070 0.110 0.000 2.747 348 H HA 0.454 5.010 4.556 0.001 0.000 0.371 348 H C -2.509 172.923 175.328 0.173 0.000 1.161 348 H CA -1.591 54.556 56.048 0.165 0.000 1.167 348 H CB 2.985 32.901 29.762 0.255 0.000 1.732 348 H HN 0.181 nan 8.280 nan 0.000 0.544 349 P HA 0.282 nan 4.420 nan 0.000 0.283 349 P C -1.232 176.222 177.300 0.258 0.000 1.271 349 P CA -0.559 62.615 63.100 0.123 0.000 0.841 349 P CB 1.332 33.042 31.700 0.017 0.000 1.122 350 F N -0.426 119.566 119.950 0.070 0.000 2.665 350 F HA 0.707 5.234 4.527 0.001 0.000 0.308 350 F C -1.492 174.313 175.800 0.009 0.000 1.112 350 F CA -1.332 56.696 58.000 0.047 0.000 0.972 350 F CB 0.835 39.865 39.000 0.050 0.000 1.295 350 F HN 0.150 nan 8.300 nan 0.000 0.440 351 I N 1.231 121.897 120.570 0.160 0.000 2.785 351 I HA 0.809 4.980 4.170 0.001 0.000 0.302 351 I C -1.269 174.913 176.117 0.108 0.000 1.069 351 I CA -1.597 59.736 61.300 0.055 0.000 1.045 351 I CB 2.015 39.982 38.000 -0.055 0.000 1.236 351 I HN 0.502 nan 8.210 nan 0.000 0.429 352 V N 2.933 122.899 119.914 0.086 0.000 2.417 352 V HA 0.406 4.527 4.120 0.001 0.000 0.291 352 V C -0.156 175.941 176.094 0.005 0.000 1.024 352 V CA -0.487 61.855 62.300 0.069 0.000 0.861 352 V CB 1.381 33.270 31.823 0.110 0.000 0.985 352 V HN 0.751 nan 8.190 nan 0.000 0.436 353 E N 2.304 122.497 120.200 -0.013 0.000 2.222 353 E HA 0.870 5.220 4.350 0.001 0.000 0.267 353 E C -0.435 176.205 176.600 0.066 0.000 0.963 353 E CA -0.609 55.793 56.400 0.003 0.000 0.837 353 E CB 2.210 31.888 29.700 -0.037 0.000 1.183 353 E HN 0.904 nan 8.360 nan 0.000 0.403 354 A N 0.836 123.685 122.820 0.049 0.000 2.589 354 A HA 0.800 5.121 4.320 0.001 0.000 0.296 354 A C -0.857 176.753 177.584 0.044 0.000 1.062 354 A CA -0.147 51.925 52.037 0.059 0.000 0.686 354 A CB 1.995 21.020 19.000 0.042 0.000 1.282 354 A HN 0.611 nan 8.150 nan 0.000 0.404 355 G N -0.735 108.096 108.800 0.052 0.000 2.677 355 G HA2 0.825 4.785 3.960 0.001 0.000 0.291 355 G HA3 0.825 4.785 3.960 0.001 0.000 0.291 355 G C -1.078 173.842 174.900 0.034 0.000 1.435 355 G CA 0.104 45.224 45.100 0.033 0.000 0.826 355 G HN 2.164 nan 8.290 nan 0.000 0.491 356 V N -2.644 117.280 119.914 0.017 0.000 3.012 356 V HA 0.979 5.099 4.120 0.001 0.000 0.307 356 V C -0.311 175.779 176.094 -0.007 0.000 1.166 356 V CA -0.548 61.754 62.300 0.004 0.000 0.974 356 V CB 1.310 33.144 31.823 0.019 0.000 1.040 356 V HN 2.137 nan 8.190 nan 0.000 0.428 357 A N 3.667 126.466 122.820 -0.035 0.000 2.401 357 A HA 0.997 5.318 4.320 0.001 0.000 0.310 357 A C -1.504 176.114 177.584 0.056 0.000 1.075 357 A CA -0.581 51.444 52.037 -0.020 0.000 0.746 357 A CB 1.890 20.844 19.000 -0.078 0.000 1.277 357 A HN 1.762 nan 8.150 nan 0.000 0.425 358 F N 1.043 120.934 119.950 -0.098 0.000 2.581 358 F HA 0.627 5.155 4.527 0.001 0.000 0.311 358 F C 0.520 176.276 175.800 -0.074 0.000 1.113 358 F CA 0.509 58.448 58.000 -0.101 0.000 0.935 358 F CB 1.608 40.546 39.000 -0.104 0.000 1.232 358 F HN 1.849 nan 8.300 nan 0.000 0.445 359 G N 2.912 111.191 108.800 -0.867 0.000 2.593 359 G HA2 0.323 4.284 3.960 0.001 0.000 0.237 359 G HA3 0.323 4.284 3.960 0.001 0.000 0.237 359 G C 0.826 175.531 174.900 -0.324 0.000 1.312 359 G CA 0.515 45.126 45.100 -0.815 0.000 0.896 359 G HN 2.425 nan 8.290 nan 0.000 0.574 360 G N -1.612 107.052 108.800 -0.227 0.000 2.677 360 G HA2 -0.167 3.794 3.960 0.001 0.000 0.321 360 G HA3 -0.167 3.794 3.960 0.001 0.000 0.321 360 G C 1.664 176.526 174.900 -0.063 0.000 1.181 360 G CA 2.232 47.272 45.100 -0.101 0.000 0.965 360 G HN 2.190 nan 8.290 nan 0.000 0.548 361 S N 0.611 116.300 115.700 -0.018 0.000 2.486 361 S HA 0.339 4.809 4.470 0.001 0.000 0.220 361 S C 1.277 175.898 174.600 0.035 0.000 1.011 361 S CA 0.306 58.517 58.200 0.018 0.000 0.921 361 S CB 0.075 63.306 63.200 0.052 0.000 0.785 361 S HN 0.537 nan 8.310 nan 0.000 0.517 362 I N 3.665 124.246 120.570 0.019 0.000 2.826 362 I HA 0.011 4.182 4.170 0.001 0.000 0.295 362 I C -2.469 173.636 176.117 -0.020 0.000 1.213 362 I CA -1.389 59.910 61.300 -0.001 0.000 1.436 362 I CB -0.088 37.842 38.000 -0.118 0.000 1.348 362 I HN -0.034 nan 8.210 nan 0.000 0.570 363 P HA 0.057 nan 4.420 nan 0.000 0.267 363 P C -0.638 176.639 177.300 -0.039 0.000 1.205 363 P CA -0.225 62.868 63.100 -0.011 0.000 0.765 363 P CB 0.441 32.144 31.700 0.004 0.000 0.828 364 V N 3.855 123.745 119.914 -0.039 0.000 2.439 364 V HA 0.526 4.647 4.120 0.001 0.000 0.271 364 V C 1.102 177.149 176.094 -0.079 0.000 1.040 364 V CA 0.574 62.843 62.300 -0.051 0.000 1.002 364 V CB 0.082 31.886 31.823 -0.031 0.000 1.000 364 V HN 0.829 nan 8.190 nan 0.000 0.477 365 G N 3.441 112.157 108.800 -0.140 0.000 2.708 365 G HA2 0.566 4.527 3.960 0.001 0.000 0.289 365 G HA3 0.566 4.527 3.960 0.001 0.000 0.289 365 G C 0.130 174.846 174.900 -0.307 0.000 1.416 365 G CA -0.113 44.885 45.100 -0.170 0.000 0.829 365 G HN 0.698 nan 8.290 nan 0.000 0.480 366 E N -1.223 118.820 120.200 -0.261 0.000 2.481 366 E HA 0.148 4.499 4.350 0.001 0.000 0.195 366 E C 0.493 176.830 176.600 -0.440 0.000 1.047 366 E CA 0.708 56.922 56.400 -0.311 0.000 0.867 366 E CB 0.023 29.639 29.700 -0.140 0.000 0.858 366 E HN 0.648 nan 8.360 nan 0.000 0.513 367 E N 0.270 120.228 120.200 -0.403 0.000 2.413 367 E HA 0.433 4.784 4.350 0.001 0.000 0.277 367 E C -2.810 173.643 176.600 -0.244 0.000 0.958 367 E CA -2.693 53.530 56.400 -0.294 0.000 0.779 367 E CB 1.352 30.992 29.700 -0.099 0.000 1.278 367 E HN -0.172 nan 8.360 nan 0.000 0.456 368 P HA 0.303 nan 4.420 nan 0.000 0.276 368 P C -0.406 176.838 177.300 -0.094 0.000 1.252 368 P CA -0.420 62.601 63.100 -0.132 0.000 0.802 368 P CB 0.879 32.468 31.700 -0.184 0.000 1.035 369 I N 0.735 121.256 120.570 -0.082 0.000 2.365 369 I HA 0.227 4.398 4.170 0.001 0.000 0.291 369 I C -0.135 175.980 176.117 -0.002 0.000 1.004 369 I CA -0.973 60.317 61.300 -0.016 0.000 1.311 369 I CB 1.537 39.518 38.000 -0.032 0.000 1.401 369 I HN -0.008 nan 8.210 nan 0.000 0.491 370 V N 7.345 127.310 119.914 0.085 0.000 2.350 370 V HA 0.356 4.477 4.120 0.001 0.000 0.285 370 V C -0.253 175.895 176.094 0.090 0.000 1.014 370 V CA -0.610 61.746 62.300 0.094 0.000 0.831 370 V CB 1.211 33.129 31.823 0.158 0.000 1.000 370 V HN 0.423 nan 8.190 nan 0.000 0.433 371 L N 5.502 126.759 121.223 0.056 0.000 2.272 371 L HA 0.610 4.950 4.340 0.001 0.000 0.289 371 L C 0.391 177.195 176.870 -0.109 0.000 1.032 371 L CA -0.183 54.638 54.840 -0.032 0.000 0.810 371 L CB 0.849 42.940 42.059 0.053 0.000 1.205 371 L HN 0.483 nan 8.230 nan 0.000 0.422 372 R N 2.427 122.771 120.500 -0.260 0.000 2.407 372 R HA 0.599 4.939 4.340 0.001 0.000 0.303 372 R C -1.496 174.514 176.300 -0.484 0.000 0.981 372 R CA -0.667 55.304 56.100 -0.214 0.000 0.905 372 R CB 1.327 31.568 30.300 -0.098 0.000 1.099 372 R HN 0.392 nan 8.270 nan 0.000 0.459 373 Y N 0.399 120.673 120.300 -0.043 0.000 2.331 373 Y HA 0.454 5.005 4.550 0.001 0.000 0.326 373 Y C -0.485 175.295 175.900 -0.201 0.000 1.020 373 Y CA -0.778 57.227 58.100 -0.159 0.000 1.136 373 Y CB 2.328 40.632 38.460 -0.261 0.000 1.157 373 Y HN 0.642 nan 8.280 nan 0.000 0.444 374 A N 3.243 126.057 122.820 -0.011 0.000 2.310 374 A HA 0.611 4.931 4.320 0.001 0.000 0.304 374 A C -0.191 177.416 177.584 0.038 0.000 1.231 374 A CA -0.789 51.258 52.037 0.017 0.000 0.799 374 A CB 0.167 19.174 19.000 0.012 0.000 1.162 374 A HN 0.852 nan 8.150 nan 0.000 0.486 375 N N 1.467 120.230 118.700 0.104 0.000 2.738 375 N HA -0.168 4.572 4.740 0.001 0.000 0.249 375 N C -0.048 175.511 175.510 0.082 0.000 1.047 375 N CA 1.534 54.687 53.050 0.171 0.000 0.707 375 N CB -1.272 37.313 38.487 0.163 0.000 0.937 375 N HN 0.928 nan 8.380 nan 0.000 0.545 376 K N -2.546 117.809 120.400 -0.074 0.000 3.281 376 K HA -0.222 4.099 4.320 0.001 0.000 0.295 376 K C 0.044 176.654 176.600 0.016 0.000 1.233 376 K CA 1.522 57.785 56.287 -0.041 0.000 0.866 376 K CB -1.578 30.970 32.500 0.080 0.000 1.265 376 K HN 0.742 nan 8.250 nan 0.000 0.482 377 I N -4.331 116.280 120.570 0.068 0.000 2.686 377 I HA 0.595 4.766 4.170 0.001 0.000 0.295 377 I C -2.892 173.320 176.117 0.159 0.000 1.114 377 I CA -3.048 58.321 61.300 0.115 0.000 1.038 377 I CB 2.406 40.487 38.000 0.136 0.000 1.238 377 I HN -0.323 nan 8.210 nan 0.000 0.420 378 P HA 0.384 nan 4.420 nan 0.000 0.275 378 P C -1.131 176.178 177.300 0.015 0.000 1.228 378 P CA -0.182 62.849 63.100 -0.115 0.000 0.786 378 P CB 0.714 32.336 31.700 -0.130 0.000 0.927 379 L N 3.371 124.547 121.223 -0.077 0.000 2.322 379 L HA 0.432 4.773 4.340 0.001 0.000 0.281 379 L C 1.028 177.904 176.870 0.011 0.000 1.014 379 L CA -0.698 54.164 54.840 0.037 0.000 0.815 379 L CB 1.528 43.592 42.059 0.008 0.000 1.247 379 L HN 0.294 nan 8.230 nan 0.000 0.421 380 I N -0.069 120.558 120.570 0.096 0.000 3.443 380 I HA 0.090 4.261 4.170 0.001 0.000 0.277 380 I C 0.353 176.389 176.117 -0.135 0.000 1.169 380 I CA 0.378 61.662 61.300 -0.027 0.000 1.419 380 I CB -0.222 37.766 38.000 -0.020 0.000 1.331 380 I HN 0.378 nan 8.210 nan 0.000 0.458 381 Y N 2.814 123.058 120.300 -0.093 0.000 2.316 381 Y HA 0.256 4.807 4.550 0.001 0.000 0.331 381 Y C 0.161 176.003 175.900 -0.096 0.000 1.083 381 Y CA 0.324 58.346 58.100 -0.129 0.000 1.206 381 Y CB 0.606 38.977 38.460 -0.148 0.000 1.195 381 Y HN 0.201 nan 8.280 nan 0.000 0.497 382 D N -0.342 120.050 120.400 -0.013 0.000 3.102 382 D HA -0.218 4.423 4.640 0.001 0.000 0.210 382 D C 0.991 177.214 176.300 -0.129 0.000 1.077 382 D CA 1.054 55.022 54.000 -0.053 0.000 0.969 382 D CB -1.195 39.613 40.800 0.013 0.000 1.084 382 D HN 0.858 nan 8.370 nan 0.000 0.432 383 E N 0.816 120.900 120.200 -0.194 0.000 2.394 383 E HA -0.282 4.068 4.350 0.001 0.000 0.202 383 E C 1.340 177.672 176.600 -0.446 0.000 1.029 383 E CA 1.067 57.325 56.400 -0.238 0.000 0.855 383 E CB -0.046 29.488 29.700 -0.276 0.000 0.770 383 E HN 0.315 nan 8.360 nan 0.000 0.527 384 K N 0.868 120.978 120.400 -0.483 0.000 2.314 384 K HA 0.024 4.345 4.320 0.001 0.000 0.198 384 K C 1.501 177.958 176.600 -0.238 0.000 1.045 384 K CA 0.974 56.898 56.287 -0.603 0.000 0.988 384 K CB 0.279 32.514 32.500 -0.441 0.000 0.783 384 K HN 0.218 nan 8.250 nan 0.000 0.484 385 S N 0.474 116.102 115.700 -0.121 0.000 2.562 385 S HA 0.197 4.667 4.470 0.001 0.000 0.246 385 S C -0.556 174.048 174.600 0.007 0.000 1.056 385 S CA -0.772 57.410 58.200 -0.030 0.000 1.042 385 S CB -0.171 63.013 63.200 -0.027 0.000 0.822 385 S HN 0.074 nan 8.310 nan 0.000 0.465 386 D N 0.468 120.895 120.400 0.046 0.000 2.175 386 D HA 0.315 4.956 4.640 0.001 0.000 0.248 386 D C 1.060 177.408 176.300 0.081 0.000 1.047 386 D CA -0.468 53.566 54.000 0.057 0.000 0.883 386 D CB 1.930 42.783 40.800 0.088 0.000 1.180 386 D HN -0.061 nan 8.370 nan 0.000 0.438 387 V N 4.268 124.194 119.914 0.019 0.000 2.568 387 V HA -0.170 3.951 4.120 0.001 0.000 0.253 387 V C 1.618 177.729 176.094 0.029 0.000 1.072 387 V CA 1.725 64.029 62.300 0.007 0.000 1.084 387 V CB -0.558 31.236 31.823 -0.048 0.000 0.676 387 V HN 0.626 nan 8.190 nan 0.000 0.469 388 I N -1.063 119.537 120.570 0.051 0.000 2.235 388 I HA -0.177 3.993 4.170 0.001 0.000 0.241 388 I C 2.318 178.496 176.117 0.102 0.000 1.085 388 I CA 1.759 63.096 61.300 0.062 0.000 1.378 388 I CB -0.583 37.456 38.000 0.065 0.000 1.076 388 I HN 0.493 nan 8.210 nan 0.000 0.415 389 W N 3.259 124.554 121.300 -0.009 0.000 2.321 389 W HA -0.268 4.392 4.660 0.000 0.000 0.285 389 W C 2.302 178.830 176.519 0.015 0.000 1.213 389 W CA 1.753 59.101 57.345 0.005 0.000 1.205 389 W CB -0.080 29.376 29.460 -0.006 0.000 1.134 389 W HN 0.178 nan 8.180 nan 0.000 0.549 390 K N 0.274 120.751 120.400 0.129 0.000 1.965 390 K HA -0.187 4.134 4.320 0.001 0.000 0.214 390 K C 1.958 178.526 176.600 -0.053 0.000 1.042 390 K CA 2.230 58.544 56.287 0.045 0.000 0.950 390 K CB -0.741 31.797 32.500 0.062 0.000 0.733 390 K HN -0.060 nan 8.250 nan 0.000 0.441 391 V N 1.835 121.727 119.914 -0.037 0.000 2.250 391 V HA -0.301 3.819 4.120 0.001 0.000 0.253 391 V C 2.421 178.459 176.094 -0.094 0.000 1.065 391 V CA 2.283 64.546 62.300 -0.062 0.000 1.039 391 V CB -1.064 30.732 31.823 -0.046 0.000 0.647 391 V HN 0.526 nan 8.190 nan 0.000 0.446 392 V N -1.999 117.858 119.914 -0.095 0.000 3.141 392 V HA -0.044 4.077 4.120 0.001 0.000 0.265 392 V C 1.949 178.001 176.094 -0.070 0.000 1.126 392 V CA 2.122 64.395 62.300 -0.045 0.000 1.141 392 V CB -0.263 31.542 31.823 -0.030 0.000 0.743 392 V HN 0.664 nan 8.190 nan 0.000 0.492 393 E N -0.431 119.634 120.200 -0.225 0.000 2.340 393 E HA -0.030 4.320 4.350 0.001 0.000 0.198 393 E C 2.039 178.591 176.600 -0.079 0.000 0.961 393 E CA 0.274 56.556 56.400 -0.196 0.000 0.905 393 E CB 0.236 29.713 29.700 -0.372 0.000 0.884 393 E HN 0.650 nan 8.360 nan 0.000 0.491 394 E N 0.746 120.891 120.200 -0.091 0.000 2.106 394 E HA -0.127 4.223 4.350 0.001 0.000 0.192 394 E C 0.863 177.397 176.600 -0.111 0.000 0.984 394 E CA 0.190 56.547 56.400 -0.072 0.000 0.806 394 E CB -0.162 29.501 29.700 -0.062 0.000 0.750 394 E HN 0.132 nan 8.360 nan 0.000 0.458 395 L N 2.822 123.934 121.223 -0.185 0.000 2.525 395 L HA -0.037 4.304 4.340 0.001 0.000 0.278 395 L C -0.117 176.504 176.870 -0.415 0.000 1.218 395 L CA 0.242 54.866 54.840 -0.361 0.000 0.878 395 L CB 0.403 42.093 42.059 -0.616 0.000 1.127 395 L HN -0.223 nan 8.230 nan 0.000 0.492 396 D N 4.061 124.267 120.400 -0.323 0.000 2.422 396 D HA 0.050 4.691 4.640 0.001 0.000 0.227 396 D C 0.212 176.393 176.300 -0.198 0.000 1.190 396 D CA 0.085 53.967 54.000 -0.198 0.000 0.905 396 D CB 0.036 40.755 40.800 -0.136 0.000 1.034 396 D HN 0.560 nan 8.370 nan 0.000 0.507 397 W N 2.995 124.295 121.300 -0.001 0.000 3.077 397 W HA 0.092 4.753 4.660 0.001 0.000 0.245 397 W C 1.911 178.385 176.519 -0.075 0.000 1.316 397 W CA -0.308 57.020 57.345 -0.028 0.000 1.537 397 W CB 0.434 29.799 29.460 -0.158 0.000 1.131 397 W HN 0.334 nan 8.180 nan 0.000 0.695 398 K N 0.015 120.460 120.400 0.076 0.000 2.166 398 K HA 0.048 4.369 4.320 0.001 0.000 0.201 398 K C 1.748 178.291 176.600 -0.095 0.000 1.052 398 K CA 0.455 56.739 56.287 -0.005 0.000 0.969 398 K CB -0.147 32.341 32.500 -0.019 0.000 0.761 398 K HN 0.032 nan 8.250 nan 0.000 0.459 399 R N 0.226 120.596 120.500 -0.216 0.000 2.355 399 R HA -0.097 4.243 4.340 0.001 0.000 0.219 399 R C -0.144 175.721 176.300 -0.726 0.000 1.107 399 R CA 0.992 56.815 56.100 -0.462 0.000 1.021 399 R CB 0.022 29.973 30.300 -0.582 0.000 0.852 399 R HN 0.145 nan 8.270 nan 0.000 0.475 400 Y N -0.787 119.479 120.300 -0.057 0.000 2.787 400 Y HA 0.299 4.850 4.550 0.001 0.000 0.352 400 Y C 1.175 177.064 175.900 -0.019 0.000 1.027 400 Y CA -0.308 57.777 58.100 -0.026 0.000 1.219 400 Y CB 1.038 39.500 38.460 0.004 0.000 1.110 400 Y HN 0.108 nan 8.280 nan 0.000 0.614 401 G N 1.365 110.185 108.800 0.033 0.000 5.186 401 G HA2 -0.427 3.534 3.960 0.001 0.000 0.291 401 G HA3 -0.427 3.534 3.960 0.001 0.000 0.291 401 G C 0.325 175.201 174.900 -0.041 0.000 1.394 401 G CA 0.298 45.391 45.100 -0.012 0.000 1.121 401 G HN 0.436 nan 8.290 nan 0.000 0.802 402 I N 2.775 123.294 120.570 -0.085 0.000 3.450 402 I HA -0.070 4.101 4.170 0.001 0.000 0.336 402 I C 1.575 177.647 176.117 -0.075 0.000 1.252 402 I CA 1.102 62.304 61.300 -0.163 0.000 1.427 402 I CB 0.205 38.003 38.000 -0.336 0.000 1.367 402 I HN 0.577 nan 8.210 nan 0.000 0.485 403 E N 2.509 122.687 120.200 -0.036 0.000 2.166 403 E HA 0.018 4.369 4.350 0.001 0.000 0.192 403 E C 0.861 177.479 176.600 0.031 0.000 0.967 403 E CA 0.225 56.626 56.400 0.001 0.000 0.840 403 E CB 0.425 30.132 29.700 0.012 0.000 0.795 403 E HN 0.636 nan 8.360 nan 0.000 0.470 404 S N 0.475 116.212 115.700 0.061 0.000 2.614 404 S HA -0.019 4.451 4.470 0.001 0.000 0.265 404 S C 0.681 175.396 174.600 0.190 0.000 1.303 404 S CA -0.493 57.778 58.200 0.118 0.000 1.000 404 S CB 1.106 64.391 63.200 0.143 0.000 0.935 404 S HN 0.120 nan 8.310 nan 0.000 0.551 405 D N 0.947 121.440 120.400 0.155 0.000 2.077 405 D HA -0.020 4.621 4.640 0.001 0.000 0.196 405 D C 0.232 176.628 176.300 0.160 0.000 0.986 405 D CA 1.380 55.467 54.000 0.146 0.000 0.829 405 D CB 0.113 40.956 40.800 0.072 0.000 0.983 405 D HN 0.607 nan 8.370 nan 0.000 0.453 406 Q N -0.789 119.062 119.800 0.085 0.000 2.245 406 Q HA 0.486 4.827 4.340 0.001 0.000 0.256 406 Q C -1.063 174.981 176.000 0.073 0.000 0.942 406 Q CA -0.650 55.112 55.803 -0.069 0.000 0.896 406 Q CB 1.950 30.647 28.738 -0.068 0.000 1.272 406 Q HN 0.248 nan 8.270 nan 0.000 0.442 407 Y N -2.042 118.260 120.300 0.004 0.000 2.677 407 Y HA 0.379 4.929 4.550 0.001 0.000 0.334 407 Y C -1.674 174.244 175.900 0.029 0.000 1.196 407 Y CA -1.500 56.628 58.100 0.047 0.000 1.059 407 Y CB 1.007 39.496 38.460 0.048 0.000 1.315 407 Y HN 0.371 nan 8.280 nan 0.000 0.455 408 Q N 2.621 122.595 119.800 0.291 0.000 2.506 408 Q HA 0.549 4.890 4.340 0.001 0.000 0.242 408 Q C -0.944 175.206 176.000 0.250 0.000 1.060 408 Q CA -0.362 55.517 55.803 0.126 0.000 0.826 408 Q CB 1.737 30.460 28.738 -0.026 0.000 1.169 408 Q HN 0.744 nan 8.270 nan 0.000 0.521 409 M N 2.223 121.913 119.600 0.151 0.000 2.535 409 M HA 0.720 5.201 4.480 0.001 0.000 0.314 409 M C -1.452 174.765 176.300 -0.138 0.000 1.153 409 M CA -1.054 54.259 55.300 0.023 0.000 0.924 409 M CB 1.759 34.251 32.600 -0.180 0.000 1.710 409 M HN 0.385 nan 8.290 nan 0.000 0.451 410 V N 3.076 122.875 119.914 -0.191 0.000 2.735 410 V HA 0.781 4.902 4.120 0.001 0.000 0.310 410 V C -1.033 174.979 176.094 -0.137 0.000 1.061 410 V CA -0.854 61.305 62.300 -0.235 0.000 0.913 410 V CB 1.708 33.240 31.823 -0.485 0.000 1.005 410 V HN 0.668 nan 8.190 nan 0.000 0.428 411 V N 4.398 124.271 119.914 -0.069 0.000 2.577 411 V HA 0.547 4.667 4.120 0.001 0.000 0.303 411 V C -0.382 175.747 176.094 0.059 0.000 1.042 411 V CA -0.390 61.911 62.300 0.001 0.000 0.872 411 V CB 1.941 33.775 31.823 0.019 0.000 0.998 411 V HN 0.920 nan 8.190 nan 0.000 0.423 412 M N 5.950 125.605 119.600 0.092 0.000 2.181 412 M HA 0.656 5.136 4.480 0.001 0.000 0.323 412 M C -1.966 174.432 176.300 0.163 0.000 1.004 412 M CA -0.424 54.976 55.300 0.165 0.000 0.941 412 M CB 1.547 34.256 32.600 0.182 0.000 1.579 412 M HN 0.459 nan 8.290 nan 0.000 0.427 413 V N 5.925 125.955 119.914 0.195 0.000 2.409 413 V HA 0.367 4.488 4.120 0.001 0.000 0.290 413 V C -0.698 175.550 176.094 0.257 0.000 1.017 413 V CA -0.666 61.739 62.300 0.175 0.000 0.841 413 V CB 1.553 33.442 31.823 0.111 0.000 1.003 413 V HN 0.900 nan 8.190 nan 0.000 0.426 414 H N 5.041 124.192 119.070 0.135 0.000 2.457 414 H HA 0.765 5.322 4.556 0.001 0.000 0.335 414 H C -1.270 174.114 175.328 0.092 0.000 1.115 414 H CA -0.933 55.199 56.048 0.140 0.000 1.219 414 H CB 1.822 31.636 29.762 0.086 0.000 1.471 414 H HN 0.540 nan 8.280 nan 0.000 0.491 415 L N 6.890 128.469 121.223 0.594 0.000 2.381 415 L HA 0.476 4.816 4.340 0.001 0.000 0.274 415 L C -1.463 175.636 176.870 0.381 0.000 0.988 415 L CA -0.640 54.393 54.840 0.321 0.000 0.824 415 L CB 0.863 42.981 42.059 0.099 0.000 1.263 415 L HN 0.868 nan 8.230 nan 0.000 0.410 416 C N 1.982 121.424 119.300 0.236 0.000 2.880 416 C HA 0.999 5.460 4.460 0.001 0.000 0.320 416 C C -0.365 174.745 174.990 0.201 0.000 1.176 416 C CA -0.378 58.781 59.018 0.236 0.000 1.390 416 C CB 0.946 28.841 27.740 0.259 0.000 1.846 416 C HN 1.166 nan 8.230 nan 0.000 0.478 417 S N 0.242 116.061 115.700 0.199 0.000 2.656 417 S HA 0.634 5.105 4.470 0.001 0.000 0.265 417 S C 0.503 175.236 174.600 0.222 0.000 1.132 417 S CA 0.365 58.703 58.200 0.229 0.000 0.819 417 S CB 0.935 64.297 63.200 0.270 0.000 1.119 417 S HN 1.554 nan 8.310 nan 0.000 0.476 418 T N -0.177 114.550 114.554 0.288 0.000 3.107 418 T HA 0.384 4.735 4.350 0.001 0.000 0.249 418 T C 0.431 175.355 174.700 0.373 0.000 1.096 418 T CA 0.191 62.478 62.100 0.312 0.000 1.012 418 T CB -0.094 68.940 68.868 0.277 0.000 0.977 418 T HN 0.275 nan 8.240 nan 0.000 0.527 419 K N 2.031 122.614 120.400 0.305 0.000 3.098 419 K HA 0.313 4.633 4.320 0.001 0.000 0.170 419 K C -0.961 175.701 176.600 0.104 0.000 1.106 419 K CA -0.481 55.882 56.287 0.127 0.000 0.864 419 K CB 0.410 32.803 32.500 -0.178 0.000 1.047 419 K HN 0.281 nan 8.250 nan 0.000 0.609 420 I N 3.553 124.205 120.570 0.138 0.000 2.436 420 I HA 0.142 4.312 4.170 0.001 0.000 0.289 420 I C -2.043 174.132 176.117 0.097 0.000 1.083 420 I CA -2.060 59.284 61.300 0.073 0.000 1.372 420 I CB 0.321 38.422 38.000 0.168 0.000 1.408 420 I HN 0.022 nan 8.210 nan 0.000 0.516 421 P HA 0.238 nan 4.420 nan 0.000 0.274 421 P C -1.116 176.144 177.300 -0.067 0.000 1.291 421 P CA 0.085 63.156 63.100 -0.050 0.000 0.815 421 P CB -0.069 31.509 31.700 -0.203 0.000 0.897 422 Y N 1.561 121.823 120.300 -0.064 0.000 2.323 422 Y HA 0.230 4.780 4.550 0.001 0.000 0.331 422 Y C 1.954 177.834 175.900 -0.033 0.000 1.092 422 Y CA -0.388 57.681 58.100 -0.053 0.000 1.150 422 Y CB 1.845 40.267 38.460 -0.064 0.000 1.200 422 Y HN 0.286 nan 8.280 nan 0.000 0.472 423 K N 1.023 121.474 120.400 0.084 0.000 2.002 423 K HA -0.097 4.223 4.320 0.001 0.000 0.209 423 K C 0.740 177.380 176.600 0.067 0.000 1.048 423 K CA 1.270 57.586 56.287 0.048 0.000 0.930 423 K CB 0.102 32.614 32.500 0.019 0.000 0.714 423 K HN 0.591 nan 8.250 nan 0.000 0.438 424 S N -1.780 113.971 115.700 0.085 0.000 2.841 424 S HA 0.559 5.030 4.470 0.001 0.000 0.318 424 S C -1.451 173.203 174.600 0.090 0.000 1.127 424 S CA -0.451 57.794 58.200 0.076 0.000 0.883 424 S CB 1.449 64.686 63.200 0.061 0.000 1.271 424 S HN 0.278 nan 8.310 nan 0.000 0.567 425 A N 0.900 123.774 122.820 0.090 0.000 2.618 425 A HA 0.466 4.787 4.320 0.001 0.000 0.293 425 A C 1.115 178.780 177.584 0.136 0.000 1.413 425 A CA 0.384 52.491 52.037 0.117 0.000 1.074 425 A CB -1.868 17.205 19.000 0.123 0.000 1.087 425 A HN 1.889 nan 8.150 nan 0.000 0.553 426 G N 2.494 111.367 108.800 0.121 0.000 2.247 426 G HA2 -0.255 3.706 3.960 0.001 0.000 0.265 426 G HA3 -0.255 3.706 3.960 0.001 0.000 0.265 426 G C 0.356 175.327 174.900 0.118 0.000 0.861 426 G CA 0.747 45.910 45.100 0.105 0.000 1.289 426 G HN 0.824 nan 8.290 nan 0.000 0.403 427 K N 0.264 120.729 120.400 0.108 0.000 2.676 427 K HA 0.242 4.562 4.320 0.001 0.000 0.205 427 K C 0.765 177.434 176.600 0.115 0.000 1.084 427 K CA 0.042 56.384 56.287 0.091 0.000 1.057 427 K CB 0.772 33.314 32.500 0.069 0.000 0.791 427 K HN 0.616 nan 8.250 nan 0.000 0.484 428 E N 1.253 121.555 120.200 0.170 0.000 2.791 428 E HA -0.190 4.160 4.350 0.001 0.000 0.271 428 E C -1.119 175.559 176.600 0.130 0.000 1.044 428 E CA 0.775 57.291 56.400 0.192 0.000 0.814 428 E CB -1.056 28.750 29.700 0.177 0.000 1.400 428 E HN 0.453 nan 8.360 nan 0.000 0.423 429 S N -1.357 114.402 115.700 0.099 0.000 2.570 429 S HA 0.713 5.184 4.470 0.001 0.000 0.270 429 S C -0.092 174.436 174.600 -0.121 0.000 1.149 429 S CA -1.091 57.097 58.200 -0.020 0.000 0.837 429 S CB 1.389 64.587 63.200 -0.004 0.000 1.124 429 S HN 0.215 nan 8.310 nan 0.000 0.465 430 I N 1.544 122.003 120.570 -0.186 0.000 2.612 430 I HA 0.600 4.771 4.170 0.001 0.000 0.295 430 I C 0.801 176.825 176.117 -0.155 0.000 1.011 430 I CA -0.760 60.376 61.300 -0.273 0.000 1.326 430 I CB 1.132 38.975 38.000 -0.261 0.000 1.427 430 I HN 0.922 nan 8.210 nan 0.000 0.537 431 A N 3.638 126.358 122.820 -0.166 0.000 2.279 431 A HA 0.331 4.652 4.320 0.001 0.000 0.303 431 A C 0.245 177.763 177.584 -0.111 0.000 1.108 431 A CA -0.528 51.449 52.037 -0.100 0.000 0.830 431 A CB 0.302 19.258 19.000 -0.075 0.000 1.106 431 A HN 0.792 nan 8.150 nan 0.000 0.493 432 E N 1.180 121.340 120.200 -0.068 0.000 2.422 432 E HA 0.139 4.490 4.350 0.001 0.000 0.267 432 E C -0.735 175.826 176.600 -0.065 0.000 1.466 432 E CA -0.202 56.163 56.400 -0.059 0.000 1.767 432 E CB 0.001 29.686 29.700 -0.025 0.000 1.471 432 E HN 0.364 nan 8.360 nan 0.000 0.446 433 V N 2.468 122.310 119.914 -0.120 0.000 2.434 433 V HA -0.113 4.008 4.120 0.001 0.000 0.281 433 V C 1.733 177.771 176.094 -0.094 0.000 1.005 433 V CA 0.681 62.905 62.300 -0.126 0.000 1.089 433 V CB 0.508 32.123 31.823 -0.346 0.000 0.978 433 V HN 0.502 nan 8.190 nan 0.000 0.474 434 E N 4.774 124.967 120.200 -0.012 0.000 2.013 434 E HA -0.257 4.094 4.350 0.001 0.000 0.202 434 E C 1.808 178.413 176.600 0.008 0.000 1.018 434 E CA 2.056 58.458 56.400 0.002 0.000 0.834 434 E CB -0.077 29.640 29.700 0.029 0.000 0.770 434 E HN 0.833 nan 8.360 nan 0.000 0.459 435 N N 0.150 118.887 118.700 0.061 0.000 2.314 435 N HA -0.204 4.537 4.740 0.001 0.000 0.191 435 N C 2.003 177.559 175.510 0.077 0.000 1.007 435 N CA 0.759 53.875 53.050 0.110 0.000 0.883 435 N CB -0.074 38.540 38.487 0.212 0.000 0.969 435 N HN 0.270 nan 8.380 nan 0.000 0.441 436 I N 0.782 121.284 120.570 -0.113 0.000 2.235 436 I HA -0.208 3.962 4.170 0.001 0.000 0.241 436 I C 2.485 178.534 176.117 -0.113 0.000 1.085 436 I CA 0.813 61.943 61.300 -0.282 0.000 1.378 436 I CB -0.217 37.454 38.000 -0.548 0.000 1.076 436 I HN 0.165 nan 8.210 nan 0.000 0.415 437 E N 1.444 121.587 120.200 -0.095 0.000 2.187 437 E HA -0.284 4.066 4.350 0.001 0.000 0.199 437 E C 2.001 178.591 176.600 -0.016 0.000 1.004 437 E CA 1.525 57.893 56.400 -0.053 0.000 0.813 437 E CB 0.048 29.722 29.700 -0.044 0.000 0.736 437 E HN 0.348 nan 8.360 nan 0.000 0.468 438 K N -0.124 120.281 120.400 0.008 0.000 2.167 438 K HA -0.132 4.189 4.320 0.001 0.000 0.203 438 K C 2.035 178.659 176.600 0.039 0.000 1.052 438 K CA 1.303 57.603 56.287 0.022 0.000 0.956 438 K CB 0.037 32.557 32.500 0.034 0.000 0.735 438 K HN 0.102 nan 8.250 nan 0.000 0.451 439 E N 1.184 121.432 120.200 0.079 0.000 2.358 439 E HA -0.002 4.348 4.350 0.001 0.000 0.195 439 E C 1.621 178.264 176.600 0.071 0.000 1.010 439 E CA 0.386 56.848 56.400 0.104 0.000 0.856 439 E CB 0.056 29.892 29.700 0.227 0.000 0.795 439 E HN 0.201 nan 8.360 nan 0.000 0.504 440 I N 0.067 120.661 120.570 0.041 0.000 2.353 440 I HA -0.177 3.994 4.170 0.001 0.000 0.248 440 I C 2.270 178.387 176.117 -0.000 0.000 1.119 440 I CA 0.713 62.024 61.300 0.019 0.000 1.417 440 I CB -0.136 37.860 38.000 -0.006 0.000 1.078 440 I HN 0.090 nan 8.210 nan 0.000 0.421 441 K N 1.505 121.898 120.400 -0.011 0.000 1.987 441 K HA -0.187 4.133 4.320 0.001 0.000 0.222 441 K C 1.644 178.221 176.600 -0.038 0.000 1.029 441 K CA 2.161 58.427 56.287 -0.035 0.000 1.011 441 K CB -0.293 32.187 32.500 -0.034 0.000 0.769 441 K HN 0.188 nan 8.250 nan 0.000 0.444 442 N N 0.143 118.827 118.700 -0.025 0.000 2.271 442 N HA -0.373 4.368 4.740 0.001 0.000 0.192 442 N C 1.754 177.246 175.510 -0.030 0.000 0.906 442 N CA 1.716 54.752 53.050 -0.023 0.000 0.920 442 N CB -0.459 38.026 38.487 -0.004 0.000 1.064 442 N HN 0.435 nan 8.380 nan 0.000 0.752 443 A N 0.761 123.573 122.820 -0.013 0.000 1.917 443 A HA -0.156 4.164 4.320 0.001 0.000 0.219 443 A C 2.226 179.794 177.584 -0.026 0.000 1.182 443 A CA 1.402 53.434 52.037 -0.008 0.000 0.633 443 A CB -0.734 18.274 19.000 0.014 0.000 0.819 443 A HN 0.248 nan 8.150 nan 0.000 0.448 444 L N -1.415 119.780 121.223 -0.046 0.000 2.056 444 L HA -0.173 4.167 4.340 0.001 0.000 0.207 444 L C 2.887 179.656 176.870 -0.168 0.000 1.078 444 L CA 1.531 56.325 54.840 -0.077 0.000 0.749 444 L CB -0.354 41.650 42.059 -0.091 0.000 0.901 444 L HN 0.411 nan 8.230 nan 0.000 0.433 445 M N -0.989 118.498 119.600 -0.189 0.000 2.080 445 M HA -0.272 4.208 4.480 0.001 0.000 0.260 445 M C 2.111 178.315 176.300 -0.161 0.000 1.068 445 M CA 1.716 56.872 55.300 -0.240 0.000 1.109 445 M CB -0.433 32.101 32.600 -0.109 0.000 1.342 445 M HN 0.184 nan 8.290 nan 0.000 0.405 446 E N -0.059 120.094 120.200 -0.078 0.000 2.401 446 E HA -0.149 4.201 4.350 0.001 0.000 0.199 446 E C 1.711 178.295 176.600 -0.027 0.000 1.023 446 E CA 1.251 57.629 56.400 -0.037 0.000 0.859 446 E CB 0.098 29.788 29.700 -0.016 0.000 0.780 446 E HN 0.532 nan 8.360 nan 0.000 0.523 447 V N -2.774 117.112 119.914 -0.046 0.000 2.581 447 V HA 0.168 4.289 4.120 0.001 0.000 0.240 447 V C 2.314 178.386 176.094 -0.037 0.000 1.054 447 V CA 0.797 63.093 62.300 -0.006 0.000 1.076 447 V CB -0.675 31.159 31.823 0.019 0.000 0.748 447 V HN 0.126 nan 8.190 nan 0.000 0.474 448 A N 2.215 124.939 122.820 -0.160 0.000 1.958 448 A HA -0.262 4.059 4.320 0.001 0.000 0.221 448 A C 2.392 179.826 177.584 -0.250 0.000 1.178 448 A CA 2.517 54.376 52.037 -0.298 0.000 0.642 448 A CB -0.706 17.768 19.000 -0.876 0.000 0.816 448 A HN 0.779 nan 8.150 nan 0.000 0.453 449 R N -0.577 119.823 120.500 -0.167 0.000 2.313 449 R HA 0.121 4.462 4.340 0.001 0.000 0.199 449 R C 1.198 177.533 176.300 0.057 0.000 0.958 449 R CA 1.004 57.144 56.100 0.068 0.000 1.047 449 R CB -0.181 30.194 30.300 0.125 0.000 0.955 449 R HN 0.396 nan 8.270 nan 0.000 0.481 450 K N 0.168 120.594 120.400 0.044 0.000 2.400 450 K HA 0.018 4.339 4.320 0.001 0.000 0.194 450 K C 1.504 178.118 176.600 0.023 0.000 1.033 450 K CA 0.139 56.476 56.287 0.083 0.000 1.021 450 K CB 0.146 32.746 32.500 0.167 0.000 0.808 450 K HN 0.084 nan 8.250 nan 0.000 0.505 451 L N 1.905 123.135 121.223 0.011 0.000 2.049 451 L HA -0.082 4.259 4.340 0.001 0.000 0.203 451 L C 2.231 179.092 176.870 -0.015 0.000 1.074 451 L CA 1.760 56.572 54.840 -0.047 0.000 0.749 451 L CB -0.300 41.738 42.059 -0.035 0.000 0.907 451 L HN -0.038 nan 8.230 nan 0.000 0.439 452 K N -0.903 119.537 120.400 0.066 0.000 2.152 452 K HA -0.295 4.025 4.320 0.001 0.000 0.206 452 K C 2.136 178.741 176.600 0.008 0.000 1.048 452 K CA 1.847 58.167 56.287 0.054 0.000 0.933 452 K CB -0.109 32.450 32.500 0.098 0.000 0.721 452 K HN 0.402 nan 8.250 nan 0.000 0.447 453 Q N 0.070 119.872 119.800 0.004 0.000 1.993 453 Q HA -0.239 4.102 4.340 0.001 0.000 0.202 453 Q C 1.969 177.935 176.000 -0.057 0.000 0.984 453 Q CA 2.109 57.901 55.803 -0.018 0.000 0.837 453 Q CB -0.647 28.093 28.738 0.002 0.000 0.902 453 Q HN 0.526 nan 8.270 nan 0.000 0.423 454 Y N 0.629 120.770 120.300 -0.265 0.000 2.207 454 Y HA -0.189 4.361 4.550 0.001 0.000 0.287 454 Y C 1.503 177.292 175.900 -0.185 0.000 1.156 454 Y CA 1.616 59.511 58.100 -0.342 0.000 1.182 454 Y CB -0.117 37.883 38.460 -0.766 0.000 0.979 454 Y HN 0.342 nan 8.280 nan 0.000 0.521 455 L N -1.332 119.886 121.223 -0.008 0.000 2.627 455 L HA 0.293 4.633 4.340 0.001 0.000 0.232 455 L C 1.622 178.442 176.870 -0.083 0.000 1.150 455 L CA 1.327 56.146 54.840 -0.036 0.000 0.917 455 L CB -0.344 41.742 42.059 0.044 0.000 1.104 455 L HN 0.121 nan 8.230 nan 0.000 0.445 456 S N -0.891 114.746 115.700 -0.105 0.000 2.505 456 S HA 0.158 4.628 4.470 0.001 0.000 0.216 456 S C 1.475 176.002 174.600 -0.121 0.000 1.018 456 S CA -0.050 58.096 58.200 -0.090 0.000 0.911 456 S CB -0.006 63.157 63.200 -0.061 0.000 0.818 456 S HN 0.554 nan 8.310 nan 0.000 0.497 457 E N 0.823 120.912 120.200 -0.184 0.000 2.479 457 E HA 0.136 4.486 4.350 0.001 0.000 0.193 457 E C 1.241 177.691 176.600 -0.251 0.000 1.049 457 E CA 0.071 56.353 56.400 -0.196 0.000 0.870 457 E CB 0.340 29.922 29.700 -0.198 0.000 0.944 457 E HN 0.461 nan 8.360 nan 0.000 0.492 458 K N 0.964 121.197 120.400 -0.277 0.000 2.168 458 K HA 0.084 4.404 4.320 0.001 0.000 0.201 458 K C 2.048 178.569 176.600 -0.131 0.000 1.049 458 K CA 0.260 56.405 56.287 -0.237 0.000 0.974 458 K CB 0.343 32.705 32.500 -0.231 0.000 0.792 458 K HN -0.122 nan 8.250 nan 0.000 0.463 459 R N 0.432 120.869 120.500 -0.106 0.000 2.115 459 R HA -0.043 4.297 4.340 0.001 0.000 0.230 459 R C 2.149 178.402 176.300 -0.078 0.000 1.111 459 R CA 0.839 56.894 56.100 -0.075 0.000 0.976 459 R CB 0.054 30.317 30.300 -0.061 0.000 0.870 459 R HN -0.015 nan 8.270 nan 0.000 0.445 460 K N 1.014 121.360 120.400 -0.091 0.000 2.001 460 K HA -0.138 4.183 4.320 0.001 0.000 0.208 460 K C 1.833 178.383 176.600 -0.083 0.000 1.048 460 K CA 1.303 57.540 56.287 -0.084 0.000 0.932 460 K CB -0.091 32.358 32.500 -0.085 0.000 0.715 460 K HN 0.104 nan 8.250 nan 0.000 0.437 461 E N 0.753 120.897 120.200 -0.093 0.000 2.204 461 E HA -0.178 4.173 4.350 0.001 0.000 0.195 461 E C 1.722 178.281 176.600 -0.069 0.000 0.990 461 E CA 1.064 57.416 56.400 -0.081 0.000 0.821 461 E CB 0.218 29.863 29.700 -0.091 0.000 0.750 461 E HN 0.391 nan 8.360 nan 0.000 0.477 462 Q N -0.476 119.282 119.800 -0.070 0.000 2.398 462 Q HA -0.080 4.260 4.340 0.001 0.000 0.204 462 Q C 1.607 177.570 176.000 -0.062 0.000 0.932 462 Q CA 0.446 56.215 55.803 -0.058 0.000 0.916 462 Q CB 0.259 28.968 28.738 -0.050 0.000 1.024 462 Q HN 0.032 nan 8.270 nan 0.000 0.504 463 E N 0.880 121.037 120.200 -0.071 0.000 2.158 463 E HA -0.046 4.305 4.350 0.001 0.000 0.191 463 E C 1.618 178.160 176.600 -0.097 0.000 0.982 463 E CA 1.035 57.387 56.400 -0.079 0.000 0.823 463 E CB -0.007 29.646 29.700 -0.077 0.000 0.766 463 E HN 0.323 nan 8.360 nan 0.000 0.468 464 A N 1.052 123.817 122.820 -0.093 0.000 1.835 464 A HA -0.173 4.148 4.320 0.001 0.000 0.215 464 A C 2.003 179.525 177.584 -0.103 0.000 1.199 464 A CA 1.693 53.667 52.037 -0.104 0.000 0.615 464 A CB -0.534 18.416 19.000 -0.084 0.000 0.838 464 A HN 0.154 nan 8.150 nan 0.000 0.444 465 K N -0.542 119.812 120.400 -0.077 0.000 2.520 465 K HA -0.157 4.163 4.320 0.001 0.000 0.197 465 K C 1.901 178.458 176.600 -0.071 0.000 1.044 465 K CA 1.404 57.652 56.287 -0.064 0.000 0.938 465 K CB -0.083 32.390 32.500 -0.045 0.000 0.767 465 K HN 0.483 nan 8.250 nan 0.000 0.481 466 K N 0.728 121.077 120.400 -0.086 0.000 2.099 466 K HA -0.046 4.274 4.320 0.001 0.000 0.203 466 K C 1.564 178.088 176.600 -0.127 0.000 1.047 466 K CA 0.935 57.170 56.287 -0.087 0.000 0.963 466 K CB 0.307 32.760 32.500 -0.078 0.000 0.759 466 K HN -0.056 nan 8.250 nan 0.000 0.451 467 K N 0.571 120.862 120.400 -0.182 0.000 1.992 467 K HA -0.074 4.247 4.320 0.001 0.000 0.210 467 K C 1.848 178.263 176.600 -0.308 0.000 1.036 467 K CA 0.958 57.057 56.287 -0.312 0.000 0.946 467 K CB -0.467 31.778 32.500 -0.424 0.000 0.742 467 K HN -0.018 nan 8.250 nan 0.000 0.442 468 L N 1.983 123.045 121.223 -0.269 0.000 2.386 468 L HA -0.201 4.140 4.340 0.001 0.000 0.220 468 L C 1.815 178.639 176.870 -0.077 0.000 1.115 468 L CA 1.337 56.079 54.840 -0.163 0.000 0.780 468 L CB -0.349 41.642 42.059 -0.112 0.000 0.902 468 L HN 0.273 nan 8.230 nan 0.000 0.442 469 L N -1.530 119.642 121.223 -0.084 0.000 2.084 469 L HA 0.040 4.381 4.340 0.001 0.000 0.202 469 L C 2.481 179.323 176.870 -0.046 0.000 1.074 469 L CA 1.325 56.138 54.840 -0.046 0.000 0.757 469 L CB -0.477 41.556 42.059 -0.044 0.000 0.918 469 L HN 0.194 nan 8.230 nan 0.000 0.444 470 A N -0.663 122.096 122.820 -0.102 0.000 1.908 470 A HA -0.261 4.059 4.320 0.001 0.000 0.218 470 A C 2.062 179.506 177.584 -0.232 0.000 1.181 470 A CA 1.736 53.641 52.037 -0.221 0.000 0.627 470 A CB -1.073 17.751 19.000 -0.293 0.000 0.818 470 A HN 0.570 nan 8.150 nan 0.000 0.445 471 Y N -0.127 120.000 120.300 -0.288 0.000 2.181 471 Y HA -0.098 4.453 4.550 0.001 0.000 0.288 471 Y C 2.173 178.046 175.900 -0.044 0.000 1.146 471 Y CA 0.569 58.566 58.100 -0.173 0.000 1.164 471 Y CB -0.734 37.666 38.460 -0.100 0.000 0.982 471 Y HN 0.187 nan 8.280 nan 0.000 0.515 472 L N -0.216 121.084 121.223 0.129 0.000 2.447 472 L HA -0.265 4.075 4.340 0.001 0.000 0.225 472 L C 1.875 178.812 176.870 0.111 0.000 1.148 472 L CA 1.503 56.400 54.840 0.095 0.000 0.808 472 L CB -0.315 41.782 42.059 0.064 0.000 0.928 472 L HN 0.281 nan 8.230 nan 0.000 0.448 473 K N -1.760 118.738 120.400 0.164 0.000 2.308 473 K HA -0.023 4.298 4.320 0.001 0.000 0.197 473 K C 1.342 178.185 176.600 0.404 0.000 1.049 473 K CA 0.475 56.927 56.287 0.275 0.000 0.991 473 K CB 0.334 33.045 32.500 0.351 0.000 0.836 473 K HN 0.151 nan 8.250 nan 0.000 0.500 474 Y N -0.012 120.274 120.300 -0.023 0.000 2.458 474 Y HA 0.217 4.767 4.550 0.001 0.000 0.254 474 Y C 1.546 177.375 175.900 -0.119 0.000 1.120 474 Y CA -0.398 57.654 58.100 -0.080 0.000 1.282 474 Y CB 0.095 38.472 38.460 -0.137 0.000 1.109 474 Y HN -0.079 nan 8.280 nan 0.000 0.526 475 I N 0.928 121.529 120.570 0.051 0.000 3.427 475 I HA -0.008 4.162 4.170 0.001 0.000 0.288 475 I C -0.809 175.273 176.117 -0.058 0.000 1.249 475 I CA -0.026 61.256 61.300 -0.031 0.000 1.421 475 I CB -0.781 37.200 38.000 -0.031 0.000 1.086 475 I HN -0.039 nan 8.210 nan 0.000 0.448 476 P HA -0.066 nan 4.420 nan 0.000 0.219 476 P C 1.258 178.503 177.300 -0.091 0.000 1.154 476 P CA 1.301 64.340 63.100 -0.101 0.000 0.826 476 P CB 0.184 31.870 31.700 -0.023 0.000 0.795 477 E N 0.509 120.687 120.200 -0.038 0.000 2.015 477 E HA -0.099 4.252 4.350 0.001 0.000 0.191 477 E C 2.206 178.788 176.600 -0.031 0.000 0.991 477 E CA 1.475 57.858 56.400 -0.028 0.000 0.802 477 E CB -1.397 28.265 29.700 -0.065 0.000 0.759 477 E HN 0.189 nan 8.360 nan 0.000 0.447 478 V N -0.339 119.545 119.914 -0.049 0.000 2.720 478 V HA -0.174 3.947 4.120 0.001 0.000 0.256 478 V C 2.131 178.203 176.094 -0.037 0.000 1.082 478 V CA 1.870 64.147 62.300 -0.037 0.000 1.101 478 V CB -0.468 31.323 31.823 -0.053 0.000 0.693 478 V HN -0.016 nan 8.190 nan 0.000 0.479 479 S N 0.673 116.322 115.700 -0.086 0.000 2.344 479 S HA -0.161 4.309 4.470 0.001 0.000 0.217 479 S C 2.017 176.561 174.600 -0.094 0.000 1.033 479 S CA 1.944 60.058 58.200 -0.144 0.000 1.017 479 S CB -0.536 62.483 63.200 -0.301 0.000 0.941 479 S HN 0.754 nan 8.310 nan 0.000 0.430 480 R N 1.203 121.652 120.500 -0.085 0.000 2.115 480 R HA -0.146 4.195 4.340 0.001 0.000 0.239 480 R C 2.382 178.788 176.300 0.178 0.000 1.133 480 R CA 2.056 58.301 56.100 0.241 0.000 0.935 480 R CB -0.754 29.809 30.300 0.439 0.000 0.853 480 R HN 0.292 nan 8.270 nan 0.000 0.433 481 S N 0.997 116.771 115.700 0.124 0.000 2.369 481 S HA -0.198 4.272 4.470 0.001 0.000 0.225 481 S C 1.918 176.658 174.600 0.232 0.000 1.043 481 S CA 1.770 60.061 58.200 0.152 0.000 1.074 481 S CB -0.376 62.895 63.200 0.119 0.000 0.962 481 S HN 0.340 nan 8.310 nan 0.000 0.433 482 L N 0.642 121.959 121.223 0.157 0.000 2.353 482 L HA -0.126 4.215 4.340 0.001 0.000 0.220 482 L C 2.407 179.386 176.870 0.182 0.000 1.133 482 L CA 0.901 55.833 54.840 0.153 0.000 0.798 482 L CB -0.409 41.673 42.059 0.039 0.000 0.922 482 L HN 0.350 nan 8.230 nan 0.000 0.445 483 A N -1.133 121.785 122.820 0.162 0.000 1.935 483 A HA -0.106 4.214 4.320 0.001 0.000 0.214 483 A C 2.295 179.963 177.584 0.139 0.000 1.178 483 A CA 1.557 53.685 52.037 0.151 0.000 0.640 483 A CB -0.627 18.481 19.000 0.180 0.000 0.825 483 A HN 0.326 nan 8.150 nan 0.000 0.447 484 T N -0.246 114.382 114.554 0.124 0.000 2.737 484 T HA -0.170 4.181 4.350 0.001 0.000 0.269 484 T C 1.466 176.159 174.700 -0.012 0.000 1.040 484 T CA 1.669 63.783 62.100 0.023 0.000 1.142 484 T CB -0.488 68.352 68.868 -0.046 0.000 0.861 484 T HN 0.411 nan 8.240 nan 0.000 0.456 485 F N 0.311 120.273 119.950 0.021 0.000 2.216 485 F HA 0.009 4.537 4.527 0.001 0.000 0.300 485 F C 1.837 177.645 175.800 0.013 0.000 1.085 485 F CA 0.436 58.444 58.000 0.013 0.000 1.326 485 F CB -0.389 38.617 39.000 0.010 0.000 1.027 485 F HN 0.069 nan 8.300 nan 0.000 0.497 486 L N -0.153 121.180 121.223 0.184 0.000 1.890 486 L HA 0.021 4.362 4.340 0.001 0.000 0.219 486 L C 1.301 178.212 176.870 0.067 0.000 1.104 486 L CA 1.350 56.257 54.840 0.112 0.000 0.792 486 L CB -1.180 40.931 42.059 0.088 0.000 0.887 486 L HN -0.049 nan 8.230 nan 0.000 0.432 487 A N -1.202 121.646 122.820 0.047 0.000 2.409 487 A HA 0.331 4.652 4.320 0.001 0.000 0.267 487 A C 1.188 178.775 177.584 0.005 0.000 1.127 487 A CA 0.271 52.323 52.037 0.024 0.000 0.795 487 A CB 0.333 19.345 19.000 0.020 0.000 1.061 487 A HN 0.479 nan 8.150 nan 0.000 0.502 488 S N 2.522 118.218 115.700 -0.008 0.000 2.414 488 S HA 0.049 4.519 4.470 0.001 0.000 0.227 488 S C 1.281 175.863 174.600 -0.030 0.000 1.022 488 S CA 0.606 58.787 58.200 -0.031 0.000 0.958 488 S CB -0.267 62.915 63.200 -0.030 0.000 0.797 488 S HN 1.093 nan 8.310 nan 0.000 0.493 489 G N 1.859 110.649 108.800 -0.018 0.000 2.441 489 G HA2 0.136 4.097 3.960 0.001 0.000 0.243 489 G HA3 0.136 4.097 3.960 0.001 0.000 0.243 489 G C 0.110 174.998 174.900 -0.020 0.000 1.281 489 G CA -0.525 44.565 45.100 -0.018 0.000 0.854 489 G HN 0.222 nan 8.290 nan 0.000 0.560 490 N N 0.814 119.500 118.700 -0.024 0.000 2.581 490 N HA 0.010 4.750 4.740 0.001 0.000 0.230 490 N C 1.118 176.612 175.510 -0.027 0.000 1.310 490 N CA 0.186 53.218 53.050 -0.029 0.000 0.886 490 N CB 0.333 38.801 38.487 -0.032 0.000 1.205 490 N HN 0.421 nan 8.380 nan 0.000 0.488 491 K N -0.186 120.202 120.400 -0.019 0.000 2.380 491 K HA 0.169 4.489 4.320 0.001 0.000 0.200 491 K C 1.221 177.814 176.600 -0.012 0.000 1.201 491 K CA 0.388 56.666 56.287 -0.017 0.000 0.916 491 K CB 0.425 32.919 32.500 -0.011 0.000 1.187 491 K HN -0.101 nan 8.250 nan 0.000 0.498 492 E N 1.142 121.340 120.200 -0.002 0.000 2.358 492 E HA -0.036 4.315 4.350 0.001 0.000 0.195 492 E C 1.571 178.182 176.600 0.018 0.000 1.010 492 E CA 0.442 56.850 56.400 0.013 0.000 0.856 492 E CB -0.289 29.425 29.700 0.023 0.000 0.795 492 E HN 0.335 nan 8.360 nan 0.000 0.504 493 L N -0.762 120.459 121.223 -0.003 0.000 2.040 493 L HA -0.287 4.054 4.340 0.001 0.000 0.228 493 L C 2.114 178.960 176.870 -0.040 0.000 1.092 493 L CA 2.363 57.191 54.840 -0.020 0.000 0.805 493 L CB -1.469 40.549 42.059 -0.068 0.000 0.905 493 L HN 0.162 nan 8.230 nan 0.000 0.443 494 V N -3.943 115.922 119.914 -0.081 0.000 3.541 494 V HA 0.065 4.186 4.120 0.001 0.000 0.267 494 V C 2.255 178.369 176.094 0.035 0.000 1.213 494 V CA 1.075 63.309 62.300 -0.110 0.000 1.149 494 V CB 0.074 31.817 31.823 -0.134 0.000 0.822 494 V HN 0.595 nan 8.190 nan 0.000 0.462 495 S N 0.017 115.747 115.700 0.050 0.000 2.412 495 S HA 0.029 4.500 4.470 0.001 0.000 0.223 495 S C 2.022 176.677 174.600 0.091 0.000 1.048 495 S CA 0.405 58.642 58.200 0.062 0.000 0.954 495 S CB -0.073 63.148 63.200 0.034 0.000 0.840 495 S HN 0.511 nan 8.310 nan 0.000 0.503 496 K N 0.545 121.004 120.400 0.098 0.000 2.057 496 K HA -0.035 4.286 4.320 0.001 0.000 0.206 496 K C 1.651 178.337 176.600 0.143 0.000 1.050 496 K CA 0.880 57.227 56.287 0.100 0.000 0.935 496 K CB -1.033 31.521 32.500 0.090 0.000 0.715 496 K HN 0.449 nan 8.250 nan 0.000 0.439 497 Y N 2.491 122.802 120.300 0.019 0.000 1.740 497 Y HA -0.414 4.136 4.550 0.001 0.000 0.194 497 Y C 2.562 178.474 175.900 0.020 0.000 1.024 497 Y CA 2.470 60.582 58.100 0.020 0.000 0.930 497 Y CB -0.776 37.693 38.460 0.016 0.000 0.802 497 Y HN 0.205 nan 8.280 nan 0.000 0.571 498 Q N -0.268 119.646 119.800 0.189 0.000 2.170 498 Q HA -0.200 4.141 4.340 0.001 0.000 0.203 498 Q C 1.618 177.632 176.000 0.025 0.000 0.976 498 Q CA 1.560 57.405 55.803 0.070 0.000 0.858 498 Q CB -0.474 28.335 28.738 0.119 0.000 0.907 498 Q HN 0.800 nan 8.270 nan 0.000 0.433 499 N N -0.026 118.697 118.700 0.038 0.000 2.575 499 N HA -0.136 4.604 4.740 0.001 0.000 0.192 499 N C 0.378 175.889 175.510 0.002 0.000 1.200 499 N CA 0.896 53.955 53.050 0.015 0.000 0.897 499 N CB 0.221 38.719 38.487 0.019 0.000 0.990 499 N HN 0.290 nan 8.380 nan 0.000 0.449 500 E N -0.613 119.583 120.200 -0.005 0.000 2.665 500 E HA 0.222 4.573 4.350 0.001 0.000 0.225 500 E C 1.398 177.981 176.600 -0.029 0.000 0.922 500 E CA -0.408 55.987 56.400 -0.008 0.000 1.242 500 E CB -0.423 29.277 29.700 0.000 0.000 1.197 500 E HN 0.176 nan 8.360 nan 0.000 0.581 501 I N 1.809 122.336 120.570 -0.071 0.000 2.076 501 I HA -0.293 3.877 4.170 0.001 0.000 0.237 501 I C 2.207 178.314 176.117 -0.017 0.000 1.059 501 I CA 2.135 63.380 61.300 -0.091 0.000 1.317 501 I CB -0.340 37.573 38.000 -0.146 0.000 1.037 501 I HN 0.308 nan 8.210 nan 0.000 0.398 502 S N 0.085 115.784 115.700 -0.002 0.000 2.419 502 S HA -0.230 4.240 4.470 0.001 0.000 0.233 502 S C 1.763 176.399 174.600 0.059 0.000 1.016 502 S CA 1.366 59.583 58.200 0.029 0.000 0.974 502 S CB -0.342 62.864 63.200 0.010 0.000 0.786 502 S HN 0.409 nan 8.310 nan 0.000 0.492 503 E N 2.347 122.567 120.200 0.034 0.000 2.038 503 E HA -0.008 4.343 4.350 0.001 0.000 0.195 503 E C 2.143 178.876 176.600 0.222 0.000 1.000 503 E CA 1.722 58.164 56.400 0.070 0.000 0.803 503 E CB -1.309 28.407 29.700 0.027 0.000 0.750 503 E HN 0.498 nan 8.360 nan 0.000 0.448 504 G N 1.301 110.172 108.800 0.119 0.000 2.587 504 G HA2 -0.300 3.661 3.960 0.001 0.000 0.217 504 G HA3 -0.300 3.661 3.960 0.001 0.000 0.217 504 G C 1.675 176.653 174.900 0.131 0.000 1.240 504 G CA 1.215 46.374 45.100 0.098 0.000 0.794 504 G HN 0.334 nan 8.290 nan 0.000 0.580 505 L N -0.028 121.262 121.223 0.110 0.000 2.082 505 L HA -0.266 4.075 4.340 0.001 0.000 0.223 505 L C 2.739 179.702 176.870 0.154 0.000 1.086 505 L CA 2.401 57.311 54.840 0.117 0.000 0.793 505 L CB -0.568 41.550 42.059 0.098 0.000 0.896 505 L HN 0.493 nan 8.230 nan 0.000 0.441 506 F N 0.614 120.573 119.950 0.016 0.000 2.186 506 F HA -0.181 4.347 4.527 0.001 0.000 0.299 506 F C 2.342 178.154 175.800 0.020 0.000 1.090 506 F CA 1.255 59.264 58.000 0.016 0.000 1.307 506 F CB -0.263 38.742 39.000 0.009 0.000 1.019 506 F HN -0.216 nan 8.300 nan 0.000 0.489 507 K N 0.635 120.777 120.400 -0.431 0.000 2.520 507 K HA -0.079 4.242 4.320 0.001 0.000 0.197 507 K C 1.495 177.934 176.600 -0.268 0.000 1.043 507 K CA 0.763 56.733 56.287 -0.529 0.000 0.944 507 K CB -0.376 32.042 32.500 -0.135 0.000 0.770 507 K HN 0.340 nan 8.250 nan 0.000 0.480 508 L N 0.066 121.206 121.223 -0.138 0.000 2.298 508 L HA 0.084 4.425 4.340 0.001 0.000 0.209 508 L C 1.302 178.122 176.870 -0.083 0.000 1.084 508 L CA 0.841 55.663 54.840 -0.030 0.000 0.816 508 L CB -0.747 41.368 42.059 0.093 0.000 0.967 508 L HN 0.224 nan 8.230 nan 0.000 0.460 509 I N -3.289 117.211 120.570 -0.116 0.000 3.472 509 I HA 0.022 4.193 4.170 0.001 0.000 0.313 509 I C 1.997 178.030 176.117 -0.140 0.000 1.173 509 I CA 0.464 61.704 61.300 -0.101 0.000 1.198 509 I CB -1.034 36.935 38.000 -0.052 0.000 0.992 509 I HN -0.076 nan 8.210 nan 0.000 0.538 510 S N 1.880 117.484 115.700 -0.161 0.000 2.345 510 S HA -0.117 4.354 4.470 0.001 0.000 0.220 510 S C 2.095 176.642 174.600 -0.088 0.000 1.031 510 S CA 1.606 59.726 58.200 -0.134 0.000 0.996 510 S CB -0.048 63.079 63.200 -0.123 0.000 0.882 510 S HN 0.704 nan 8.310 nan 0.000 0.445 511 K N 0.867 121.218 120.400 -0.080 0.000 2.020 511 K HA 0.134 4.454 4.320 0.001 0.000 0.206 511 K C -0.023 176.535 176.600 -0.070 0.000 1.038 511 K CA 0.881 57.124 56.287 -0.073 0.000 0.947 511 K CB -0.261 32.190 32.500 -0.082 0.000 0.744 511 K HN 0.087 nan 8.250 nan 0.000 0.442 512 K N 0.696 121.050 120.400 -0.077 0.000 2.378 512 K HA 0.420 4.740 4.320 0.001 0.000 0.252 512 K C -1.302 175.266 176.600 -0.053 0.000 0.931 512 K CA -0.528 55.719 56.287 -0.066 0.000 0.794 512 K CB 1.983 34.436 32.500 -0.079 0.000 1.181 512 K HN -0.094 nan 8.250 nan 0.000 0.425 513 L N 2.813 124.014 121.223 -0.037 0.000 2.255 513 L HA 0.458 4.798 4.340 0.001 0.000 0.289 513 L C -0.964 175.897 176.870 -0.015 0.000 1.046 513 L CA 0.231 55.059 54.840 -0.020 0.000 0.816 513 L CB 0.577 42.629 42.059 -0.011 0.000 1.197 513 L HN 0.545 nan 8.230 nan 0.000 0.427 514 D N 2.260 122.655 120.400 -0.009 0.000 2.769 514 D HA 0.325 4.966 4.640 0.001 0.000 0.219 514 D C -1.639 174.665 176.300 0.007 0.000 1.245 514 D CA -0.405 53.593 54.000 -0.004 0.000 0.801 514 D CB 2.391 43.182 40.800 -0.014 0.000 1.598 514 D HN 0.115 nan 8.370 nan 0.000 0.485 515 L N 4.418 125.648 121.223 0.011 0.000 2.276 515 L HA 0.535 4.876 4.340 0.001 0.000 0.286 515 L C -1.224 175.654 176.870 0.014 0.000 1.024 515 L CA -0.532 54.319 54.840 0.018 0.000 0.826 515 L CB 0.484 42.556 42.059 0.021 0.000 1.211 515 L HN 0.404 nan 8.230 nan 0.000 0.422 516 I N 2.497 123.076 120.570 0.015 0.000 2.499 516 I HA 0.498 4.669 4.170 0.001 0.000 0.288 516 I C -1.109 175.018 176.117 0.016 0.000 1.048 516 I CA -0.803 60.504 61.300 0.012 0.000 1.062 516 I CB 1.792 39.795 38.000 0.006 0.000 1.238 516 I HN 0.424 nan 8.210 nan 0.000 0.426 517 N N 6.606 125.316 118.700 0.016 0.000 2.479 517 N HA 0.517 5.258 4.740 0.001 0.000 0.261 517 N C -1.106 174.414 175.510 0.016 0.000 0.979 517 N CA -0.233 52.827 53.050 0.018 0.000 0.930 517 N CB 2.800 41.298 38.487 0.018 0.000 1.172 517 N HN 0.805 nan 8.380 nan 0.000 0.499 518 I N 2.417 122.998 120.570 0.018 0.000 2.410 518 I HA 0.286 4.457 4.170 0.001 0.000 0.286 518 I C -0.563 175.566 176.117 0.020 0.000 1.009 518 I CA -0.500 60.810 61.300 0.017 0.000 1.111 518 I CB 0.673 38.682 38.000 0.015 0.000 1.262 518 I HN 0.393 nan 8.210 nan 0.000 0.443 519 E N 0.000 120.211 120.200 0.018 0.000 2.725 519 E HA 0.000 4.351 4.350 0.001 0.000 0.291 519 E CA 0.000 56.411 56.400 0.018 0.000 0.976 519 E CB 0.000 29.710 29.700 0.018 0.000 0.812 519 E HN 0.000 nan 8.360 nan 0.000 0.440