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 2zt5_1_A DATA FIRST_RESID 64 DATA SEQUENCE IVDRAKMEDT LKRRFFYDQA FAIYGGVSGL YDFGPVGCAL KNNIIQTWRQ DATA SEQUENCE HFIQEEQILE IDCTMLTPEP VLKTSGHVDK FADFMVKDVK NGECFRADHL DATA SEQUENCE LKAHLQKLMS DKKCSVEKKS EMESVLAQLD NYGQQELADL FVNYNVKSPI DATA SEQUENCE TGNDLSPPVS FNLMFKTFIG PGGNMPGYLR PETAQGIFLN FKRLLEFNQG DATA SEQUENCE KLPFAAAQIG NSFRNEISPR SGLIRVREFT MAEIEHFVDP SEKDHPKFQN DATA SEQUENCE VADLHLYLYS AKAQVSGQSA RKMRLGDAVE QGVINNTVLG YFIGRIYLYL DATA SEQUENCE TKVGISPDKL RFRQHMENEM AHYACDCWDA ESKTSYGWIE IVGCADRSCY DATA SEQUENCE DLSCHARATK VPLVAEKPXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXYV DATA SEQUENCE EEVVPNVIEP SFGLGRIMYT VFEHTFHVRE GDEQRTFFSF PAVVAPFKCS DATA SEQUENCE VLPLSQNQEF MPFVKELSEA LTRHGVSHKV DDSSGSIGRR YARTDEIGVA DATA SEQUENCE FGVTIDFDTV NKTPHTATLR DRDSMRQIRA EISELPSIVQ DLANGNITWA DATA SEQUENCE DVEARYPLFE 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 64 I HA 0.000 nan 4.170 nan 0.000 0.288 64 I C 0.000 176.089 176.117 -0.047 0.000 1.063 64 I CA 0.000 61.259 61.300 -0.069 0.000 1.566 64 I CB 0.000 37.967 38.000 -0.056 0.000 1.214 65 V N 3.799 123.682 119.914 -0.052 0.000 2.789 65 V HA 0.622 4.743 4.120 0.002 0.000 0.311 65 V C -1.019 175.041 176.094 -0.057 0.000 1.073 65 V CA -0.335 61.947 62.300 -0.029 0.000 0.921 65 V CB 2.510 34.310 31.823 -0.037 0.000 1.009 65 V HN 0.724 nan 8.190 nan 0.000 0.426 66 D N 4.742 125.128 120.400 -0.024 0.000 2.508 66 D HA 0.167 4.808 4.640 0.002 0.000 0.224 66 D C 1.366 177.581 176.300 -0.143 0.000 1.171 66 D CA 0.221 54.190 54.000 -0.052 0.000 1.006 66 D CB 0.250 41.057 40.800 0.012 0.000 1.073 66 D HN 0.584 nan 8.370 nan 0.000 0.513 67 R N 2.881 123.289 120.500 -0.153 0.000 2.134 67 R HA -0.312 4.029 4.340 0.002 0.000 0.248 67 R C 1.747 177.960 176.300 -0.145 0.000 1.143 67 R CA 1.864 57.867 56.100 -0.161 0.000 0.957 67 R CB -0.221 29.998 30.300 -0.134 0.000 0.867 67 R HN 0.479 nan 8.270 nan 0.000 0.441 68 A N 1.249 124.010 122.820 -0.099 0.000 1.859 68 A HA -0.290 4.031 4.320 0.002 0.000 0.218 68 A C 2.148 179.682 177.584 -0.084 0.000 1.209 68 A CA 2.062 54.060 52.037 -0.065 0.000 0.639 68 A CB -0.774 18.201 19.000 -0.041 0.000 0.835 68 A HN 0.478 nan 8.150 nan 0.000 0.450 69 K N -1.125 119.227 120.400 -0.081 0.000 2.074 69 K HA -0.201 4.120 4.320 0.002 0.000 0.209 69 K C 2.189 178.690 176.600 -0.165 0.000 1.048 69 K CA 1.902 58.162 56.287 -0.044 0.000 0.926 69 K CB -0.245 32.295 32.500 0.067 0.000 0.713 69 K HN 0.599 nan 8.250 nan 0.000 0.444 70 M N 0.867 120.159 119.600 -0.514 0.000 2.067 70 M HA -0.193 4.288 4.480 0.002 0.000 0.260 70 M C 1.546 177.648 176.300 -0.329 0.000 1.069 70 M CA 1.811 56.582 55.300 -0.883 0.000 1.117 70 M CB -0.079 31.775 32.600 -1.244 0.000 1.334 70 M HN 0.142 nan 8.290 nan 0.000 0.407 71 E N 0.256 120.342 120.200 -0.190 0.000 2.219 71 E HA -0.242 4.109 4.350 0.002 0.000 0.198 71 E C 1.340 177.891 176.600 -0.082 0.000 0.998 71 E CA 1.618 57.974 56.400 -0.073 0.000 0.818 71 E CB -0.277 29.430 29.700 0.011 0.000 0.741 71 E HN 0.638 nan 8.360 nan 0.000 0.477 72 D N -0.329 120.034 120.400 -0.061 0.000 2.149 72 D HA -0.079 4.562 4.640 0.002 0.000 0.201 72 D C 1.779 178.091 176.300 0.020 0.000 0.972 72 D CA 1.205 55.192 54.000 -0.020 0.000 0.835 72 D CB -0.015 40.784 40.800 -0.003 0.000 0.966 72 D HN 0.039 nan 8.370 nan 0.000 0.476 73 T N 0.026 114.613 114.554 0.056 0.000 2.937 73 T HA 0.054 4.405 4.350 0.002 0.000 0.260 73 T C 2.028 176.869 174.700 0.235 0.000 1.051 73 T CA 0.357 62.563 62.100 0.177 0.000 1.141 73 T CB -0.081 68.970 68.868 0.306 0.000 0.879 73 T HN 0.080 nan 8.240 nan 0.000 0.459 74 L N 0.440 121.744 121.223 0.134 0.000 2.141 74 L HA -0.019 4.322 4.340 0.002 0.000 0.209 74 L C 2.535 179.445 176.870 0.067 0.000 1.094 74 L CA 1.273 56.208 54.840 0.157 0.000 0.763 74 L CB -0.366 41.579 42.059 -0.191 0.000 0.908 74 L HN 0.179 nan 8.230 nan 0.000 0.437 75 K N -0.481 119.863 120.400 -0.093 0.000 2.186 75 K HA -0.079 4.242 4.320 0.002 0.000 0.202 75 K C 2.216 178.815 176.600 -0.001 0.000 1.052 75 K CA 0.468 56.686 56.287 -0.116 0.000 0.965 75 K CB 0.038 32.437 32.500 -0.169 0.000 0.746 75 K HN 0.120 nan 8.250 nan 0.000 0.457 76 R N 0.941 121.456 120.500 0.025 0.000 2.066 76 R HA -0.022 4.319 4.340 0.002 0.000 0.232 76 R C 1.751 178.083 176.300 0.053 0.000 1.131 76 R CA 1.139 57.255 56.100 0.027 0.000 0.955 76 R CB 0.213 30.539 30.300 0.043 0.000 0.851 76 R HN -0.088 nan 8.270 nan 0.000 0.432 77 R N -0.061 120.491 120.500 0.087 0.000 2.313 77 R HA -0.013 4.328 4.340 0.002 0.000 0.199 77 R C -0.071 176.244 176.300 0.025 0.000 0.958 77 R CA -0.004 56.113 56.100 0.029 0.000 1.047 77 R CB -0.700 29.595 30.300 -0.009 0.000 0.955 77 R HN 0.291 nan 8.270 nan 0.000 0.481 78 F N -0.295 119.584 119.950 -0.117 0.000 2.890 78 F HA -0.268 4.260 4.527 0.002 0.000 0.333 78 F C -0.201 175.545 175.800 -0.090 0.000 1.012 78 F CA -0.821 57.121 58.000 -0.097 0.000 1.090 78 F CB -1.876 37.080 39.000 -0.073 0.000 1.281 78 F HN -0.033 nan 8.300 nan 0.000 0.786 79 F N 0.788 120.781 119.950 0.071 0.000 2.219 79 F HA 0.128 4.656 4.527 0.002 0.000 0.294 79 F C 1.203 177.092 175.800 0.149 0.000 1.086 79 F CA 1.974 60.021 58.000 0.079 0.000 1.330 79 F CB -0.157 38.885 39.000 0.069 0.000 1.047 79 F HN 0.346 nan 8.300 nan 0.000 0.495 80 Y N -2.967 117.438 120.300 0.175 0.000 2.750 80 Y HA 0.625 5.176 4.550 0.002 0.000 0.335 80 Y C -1.700 174.316 175.900 0.194 0.000 1.252 80 Y CA -1.971 56.125 58.100 -0.007 0.000 1.064 80 Y CB 1.028 39.313 38.460 -0.292 0.000 1.321 80 Y HN -0.199 nan 8.280 nan 0.000 0.451 81 D N -0.595 119.931 120.400 0.209 0.000 2.808 81 D HA 0.148 4.788 4.640 0.002 0.000 0.294 81 D C -1.779 174.707 176.300 0.310 0.000 1.278 81 D CA -0.644 53.447 54.000 0.153 0.000 0.756 81 D CB 1.735 42.602 40.800 0.111 0.000 1.271 81 D HN 0.770 nan 8.370 nan 0.000 0.425 82 Q N 0.492 120.401 119.800 0.181 0.000 2.263 82 Q HA 0.441 4.782 4.340 0.002 0.000 0.289 82 Q C -0.294 175.676 176.000 -0.049 0.000 1.061 82 Q CA 0.183 55.983 55.803 -0.005 0.000 0.927 82 Q CB 0.696 29.435 28.738 0.000 0.000 1.154 82 Q HN 0.386 nan 8.270 nan 0.000 0.378 83 A N 2.912 125.641 122.820 -0.151 0.000 2.388 83 A HA 0.371 4.692 4.320 0.002 0.000 0.257 83 A C -0.321 177.177 177.584 -0.143 0.000 1.095 83 A CA -0.394 51.464 52.037 -0.297 0.000 0.791 83 A CB -0.210 18.550 19.000 -0.400 0.000 1.029 83 A HN 0.827 nan 8.150 nan 0.000 0.489 84 F N -0.391 119.572 119.950 0.021 0.000 3.074 84 F HA -0.310 4.218 4.527 0.002 0.000 0.287 84 F C 1.622 177.488 175.800 0.109 0.000 0.932 84 F CA 0.426 58.455 58.000 0.047 0.000 0.995 84 F CB -1.993 36.981 39.000 -0.043 0.000 0.966 84 F HN 0.761 nan 8.300 nan 0.000 0.721 85 A N 1.307 124.219 122.820 0.154 0.000 1.865 85 A HA -0.171 4.150 4.320 0.002 0.000 0.217 85 A C 2.045 179.712 177.584 0.138 0.000 1.191 85 A CA 1.865 53.969 52.037 0.112 0.000 0.623 85 A CB -0.635 18.387 19.000 0.037 0.000 0.826 85 A HN 0.859 nan 8.150 nan 0.000 0.444 86 I N -4.809 115.855 120.570 0.156 0.000 3.294 86 I HA -0.064 4.107 4.170 0.002 0.000 0.287 86 I C 1.062 177.186 176.117 0.011 0.000 1.328 86 I CA 1.187 62.531 61.300 0.073 0.000 1.375 86 I CB -0.389 37.632 38.000 0.035 0.000 1.045 86 I HN 0.278 nan 8.210 nan 0.000 0.522 87 Y N 1.250 121.593 120.300 0.072 0.000 2.557 87 Y HA 0.445 4.996 4.550 0.002 0.000 0.247 87 Y C 1.759 177.685 175.900 0.043 0.000 1.164 87 Y CA 0.193 58.328 58.100 0.059 0.000 1.218 87 Y CB 1.191 39.695 38.460 0.074 0.000 1.210 87 Y HN 0.335 nan 8.280 nan 0.000 0.529 88 G N -0.637 108.259 108.800 0.161 0.000 2.259 88 G HA2 0.010 3.971 3.960 0.002 0.000 0.217 88 G HA3 0.010 3.971 3.960 0.002 0.000 0.217 88 G C 0.608 175.571 174.900 0.104 0.000 1.001 88 G CA -0.122 45.040 45.100 0.103 0.000 0.627 88 G HN 1.045 nan 8.290 nan 0.000 0.501 89 G N -1.528 107.365 108.800 0.155 0.000 2.764 89 G HA2 0.259 4.220 3.960 0.002 0.000 0.686 89 G HA3 0.259 4.220 3.960 0.002 0.000 0.686 89 G C -0.337 174.615 174.900 0.087 0.000 1.258 89 G CA 0.023 45.203 45.100 0.132 0.000 0.846 89 G HN 1.518 nan 8.290 nan 0.000 0.596 90 V N 2.650 122.623 119.914 0.099 0.000 2.427 90 V HA 0.664 4.785 4.120 0.002 0.000 0.286 90 V C 1.147 177.237 176.094 -0.007 0.000 1.034 90 V CA 0.035 62.366 62.300 0.051 0.000 0.893 90 V CB 1.545 33.407 31.823 0.065 0.000 0.982 90 V HN 1.651 nan 8.190 nan 0.000 0.452 91 S N 3.228 118.932 115.700 0.007 0.000 2.572 91 S HA 0.482 4.953 4.470 0.002 0.000 0.279 91 S C 1.217 175.835 174.600 0.031 0.000 1.341 91 S CA 0.302 58.503 58.200 0.001 0.000 1.043 91 S CB 0.980 64.209 63.200 0.049 0.000 0.887 91 S HN 2.220 nan 8.310 nan 0.000 0.516 92 G N 1.362 110.192 108.800 0.049 0.000 2.179 92 G HA2 -0.199 3.762 3.960 0.002 0.000 0.260 92 G HA3 -0.199 3.762 3.960 0.002 0.000 0.260 92 G C -0.215 174.771 174.900 0.144 0.000 0.977 92 G CA 0.300 45.495 45.100 0.158 0.000 0.641 92 G HN 0.821 nan 8.290 nan 0.000 0.533 93 L N -0.449 120.715 121.223 -0.099 0.000 2.385 93 L HA 0.787 5.128 4.340 0.002 0.000 0.273 93 L C -0.533 176.086 176.870 -0.418 0.000 0.990 93 L CA -1.249 53.558 54.840 -0.055 0.000 0.821 93 L CB 1.746 43.865 42.059 0.100 0.000 1.279 93 L HN 0.101 nan 8.230 nan 0.000 0.412 94 Y N 0.175 120.483 120.300 0.013 0.000 2.597 94 Y HA 0.454 5.004 4.550 0.001 0.000 0.340 94 Y C -0.700 175.092 175.900 -0.181 0.000 1.097 94 Y CA -1.149 56.909 58.100 -0.070 0.000 1.037 94 Y CB 1.986 40.385 38.460 -0.102 0.000 1.305 94 Y HN 0.426 nan 8.280 nan 0.000 0.463 95 D N 1.016 121.404 120.400 -0.019 0.000 2.269 95 D HA 0.422 5.063 4.640 0.002 0.000 0.244 95 D C -1.327 174.872 176.300 -0.169 0.000 0.992 95 D CA -0.327 53.650 54.000 -0.039 0.000 0.894 95 D CB 1.852 42.676 40.800 0.040 0.000 1.248 95 D HN 0.207 nan 8.370 nan 0.000 0.468 96 F N 0.448 120.424 119.950 0.043 0.000 2.427 96 F HA 0.463 4.990 4.527 0.001 0.000 0.346 96 F C 1.272 176.820 175.800 -0.419 0.000 1.120 96 F CA -0.634 57.324 58.000 -0.071 0.000 1.033 96 F CB 1.622 40.619 39.000 -0.005 0.000 1.126 96 F HN 0.218 nan 8.300 nan 0.000 0.462 97 G N 2.913 111.201 108.800 -0.854 0.000 2.563 97 G HA2 0.314 4.275 3.960 0.002 0.000 0.283 97 G HA3 0.314 4.275 3.960 0.002 0.000 0.283 97 G C -1.943 172.645 174.900 -0.520 0.000 1.309 97 G CA -1.312 42.856 45.100 -1.553 0.000 1.022 97 G HN 0.381 nan 8.290 nan 0.000 0.501 98 P HA -0.193 nan 4.420 nan 0.000 0.214 98 P C 2.269 179.515 177.300 -0.091 0.000 1.172 98 P CA 2.681 65.714 63.100 -0.112 0.000 0.925 98 P CB -0.222 31.460 31.700 -0.031 0.000 0.793 99 V N -2.842 116.981 119.914 -0.152 0.000 2.469 99 V HA -0.134 3.987 4.120 0.002 0.000 0.251 99 V C 2.283 178.395 176.094 0.030 0.000 1.064 99 V CA 2.294 64.507 62.300 -0.144 0.000 1.066 99 V CB -2.259 29.262 31.823 -0.503 0.000 0.667 99 V HN 0.153 nan 8.190 nan 0.000 0.461 100 G N -0.887 107.953 108.800 0.067 0.000 2.408 100 G HA2 -0.205 3.756 3.960 0.002 0.000 0.217 100 G HA3 -0.205 3.756 3.960 0.002 0.000 0.217 100 G C 1.561 176.546 174.900 0.143 0.000 1.150 100 G CA 1.263 46.570 45.100 0.346 0.000 0.776 100 G HN 0.585 nan 8.290 nan 0.000 0.542 101 C N 0.836 120.159 119.300 0.037 0.000 2.466 101 C HA 0.267 4.728 4.460 0.002 0.000 0.278 101 C C 3.517 178.489 174.990 -0.029 0.000 1.288 101 C CA 0.627 59.624 59.018 -0.035 0.000 1.722 101 C CB -0.844 26.879 27.740 -0.028 0.000 2.017 101 C HN 0.558 nan 8.230 nan 0.000 0.488 102 A N 0.353 123.177 122.820 0.008 0.000 1.908 102 A HA -0.164 4.157 4.320 0.002 0.000 0.218 102 A C 2.050 179.632 177.584 -0.002 0.000 1.181 102 A CA 1.782 53.833 52.037 0.023 0.000 0.627 102 A CB -0.656 18.384 19.000 0.068 0.000 0.818 102 A HN 0.495 nan 8.150 nan 0.000 0.445 103 L N -0.289 120.932 121.223 -0.003 0.000 2.056 103 L HA -0.052 4.289 4.340 0.002 0.000 0.207 103 L C 2.281 179.070 176.870 -0.136 0.000 1.078 103 L CA 2.561 57.345 54.840 -0.095 0.000 0.749 103 L CB -0.522 41.485 42.059 -0.087 0.000 0.901 103 L HN 0.437 nan 8.230 nan 0.000 0.433 104 K N -0.743 119.580 120.400 -0.129 0.000 2.097 104 K HA -0.166 4.155 4.320 0.002 0.000 0.206 104 K C 1.830 178.349 176.600 -0.135 0.000 1.049 104 K CA 1.535 57.704 56.287 -0.197 0.000 0.933 104 K CB -0.039 32.263 32.500 -0.330 0.000 0.717 104 K HN 0.389 nan 8.250 nan 0.000 0.442 105 N N 0.885 119.530 118.700 -0.092 0.000 2.188 105 N HA -0.119 4.622 4.740 0.002 0.000 0.184 105 N C 1.201 176.701 175.510 -0.017 0.000 1.018 105 N CA 1.253 54.273 53.050 -0.050 0.000 0.858 105 N CB -0.421 38.049 38.487 -0.028 0.000 0.989 105 N HN 0.366 nan 8.380 nan 0.000 0.426 106 N N 0.605 119.291 118.700 -0.025 0.000 2.188 106 N HA 0.037 4.778 4.740 0.002 0.000 0.184 106 N C 1.674 177.194 175.510 0.017 0.000 1.018 106 N CA 0.455 53.503 53.050 -0.003 0.000 0.858 106 N CB 0.065 38.534 38.487 -0.030 0.000 0.989 106 N HN 0.174 nan 8.380 nan 0.000 0.426 107 I N 0.909 121.469 120.570 -0.017 0.000 2.353 107 I HA -0.194 3.977 4.170 0.002 0.000 0.248 107 I C 1.913 178.126 176.117 0.160 0.000 1.119 107 I CA 0.911 62.241 61.300 0.050 0.000 1.417 107 I CB -0.087 37.888 38.000 -0.041 0.000 1.078 107 I HN 0.147 nan 8.210 nan 0.000 0.421 108 I N 0.056 120.664 120.570 0.064 0.000 2.286 108 I HA -0.273 3.898 4.170 0.002 0.000 0.245 108 I C 2.604 178.822 176.117 0.169 0.000 1.104 108 I CA 1.081 62.425 61.300 0.073 0.000 1.397 108 I CB -0.283 37.706 38.000 -0.018 0.000 1.072 108 I HN 0.221 nan 8.210 nan 0.000 0.417 109 Q N 0.755 120.627 119.800 0.121 0.000 2.084 109 Q HA -0.159 4.182 4.340 0.002 0.000 0.202 109 Q C 2.150 178.248 176.000 0.163 0.000 0.978 109 Q CA 2.136 58.013 55.803 0.123 0.000 0.844 109 Q CB -0.462 28.325 28.738 0.082 0.000 0.898 109 Q HN 0.370 nan 8.270 nan 0.000 0.426 110 T N -0.719 113.956 114.554 0.200 0.000 2.788 110 T HA -0.163 4.188 4.350 0.002 0.000 0.268 110 T C 1.033 175.933 174.700 0.334 0.000 1.044 110 T CA 1.224 63.475 62.100 0.252 0.000 1.139 110 T CB -0.501 68.526 68.868 0.264 0.000 0.867 110 T HN 0.533 nan 8.240 nan 0.000 0.454 111 W N 2.091 123.482 121.300 0.152 0.000 2.388 111 W HA -0.028 4.633 4.660 0.001 0.000 0.294 111 W C 2.380 178.910 176.519 0.018 0.000 1.212 111 W CA 0.758 58.038 57.345 -0.109 0.000 1.271 111 W CB -0.117 29.123 29.460 -0.366 0.000 1.126 111 W HN 0.054 nan 8.180 nan 0.000 0.535 112 R N -0.366 120.271 120.500 0.228 0.000 2.096 112 R HA -0.198 4.143 4.340 0.002 0.000 0.235 112 R C 2.355 178.633 176.300 -0.037 0.000 1.127 112 R CA 1.600 57.758 56.100 0.098 0.000 0.968 112 R CB -0.496 29.895 30.300 0.152 0.000 0.861 112 R HN 0.221 nan 8.270 nan 0.000 0.440 113 Q N -0.549 119.255 119.800 0.008 0.000 2.049 113 Q HA -0.170 4.171 4.340 0.002 0.000 0.198 113 Q C 1.969 177.903 176.000 -0.109 0.000 0.971 113 Q CA 1.573 57.365 55.803 -0.019 0.000 0.833 113 Q CB -0.367 28.393 28.738 0.036 0.000 0.896 113 Q HN 0.480 nan 8.270 nan 0.000 0.434 114 H N -0.755 118.165 119.070 -0.250 0.000 2.387 114 H HA -0.108 4.449 4.556 0.002 0.000 0.299 114 H C 1.104 175.937 175.328 -0.824 0.000 1.090 114 H CA 1.917 57.666 56.048 -0.498 0.000 1.332 114 H CB 0.130 29.578 29.762 -0.522 0.000 1.386 114 H HN 0.113 nan 8.280 nan 0.000 0.516 115 F N -1.531 118.106 119.950 -0.521 0.000 2.515 115 F HA 0.162 4.690 4.527 0.001 0.000 0.267 115 F C 2.274 177.863 175.800 -0.352 0.000 0.923 115 F CA 0.038 57.718 58.000 -0.534 0.000 1.107 115 F CB -0.529 37.879 39.000 -0.987 0.000 1.175 115 F HN -0.069 nan 8.300 nan 0.000 0.742 116 I N 0.426 120.866 120.570 -0.216 0.000 2.113 116 I HA -0.346 3.825 4.170 0.002 0.000 0.242 116 I C 2.422 178.525 176.117 -0.023 0.000 1.064 116 I CA 1.782 63.044 61.300 -0.063 0.000 1.320 116 I CB -0.430 37.558 38.000 -0.021 0.000 1.028 116 I HN 0.267 nan 8.210 nan 0.000 0.406 117 Q N 0.669 120.437 119.800 -0.053 0.000 2.172 117 Q HA -0.214 4.127 4.340 0.002 0.000 0.200 117 Q C 1.923 177.897 176.000 -0.044 0.000 0.964 117 Q CA 1.502 57.286 55.803 -0.032 0.000 0.855 117 Q CB -0.036 28.683 28.738 -0.031 0.000 0.918 117 Q HN 0.358 nan 8.270 nan 0.000 0.444 118 E N -0.106 120.036 120.200 -0.098 0.000 2.158 118 E HA -0.109 4.242 4.350 0.002 0.000 0.191 118 E C 0.699 177.284 176.600 -0.026 0.000 0.982 118 E CA 1.120 57.454 56.400 -0.110 0.000 0.823 118 E CB 0.203 29.745 29.700 -0.263 0.000 0.766 118 E HN 0.288 nan 8.360 nan 0.000 0.468 119 E N 0.146 120.363 120.200 0.029 0.000 2.498 119 E HA 0.072 4.422 4.350 0.002 0.000 0.203 119 E C -0.245 176.430 176.600 0.125 0.000 1.013 119 E CA -0.063 56.411 56.400 0.124 0.000 0.927 119 E CB 0.627 30.475 29.700 0.246 0.000 1.012 119 E HN 0.126 nan 8.360 nan 0.000 0.482 120 Q N 0.256 120.104 119.800 0.080 0.000 2.460 120 Q HA -0.188 4.153 4.340 0.002 0.000 0.311 120 Q C -0.092 175.977 176.000 0.115 0.000 1.396 120 Q CA 0.647 56.499 55.803 0.082 0.000 0.838 120 Q CB -2.388 26.398 28.738 0.079 0.000 1.140 120 Q HN 0.454 nan 8.270 nan 0.000 0.415 121 I N 0.631 121.272 120.570 0.117 0.000 2.575 121 I HA 0.096 4.267 4.170 0.002 0.000 0.285 121 I C 1.181 177.358 176.117 0.100 0.000 1.085 121 I CA -0.500 60.887 61.300 0.144 0.000 1.403 121 I CB 0.525 38.614 38.000 0.148 0.000 1.409 121 I HN 0.116 nan 8.210 nan 0.000 0.557 122 L N 5.970 127.253 121.223 0.101 0.000 2.360 122 L HA 0.243 4.584 4.340 0.002 0.000 0.276 122 L C 0.401 177.272 176.870 0.002 0.000 1.121 122 L CA 0.099 54.938 54.840 -0.002 0.000 0.845 122 L CB 0.392 42.401 42.059 -0.084 0.000 1.143 122 L HN 0.636 nan 8.230 nan 0.000 0.452 123 E N 5.194 125.378 120.200 -0.027 0.000 2.204 123 E HA 0.666 5.017 4.350 0.002 0.000 0.276 123 E C -1.048 175.524 176.600 -0.046 0.000 0.974 123 E CA -0.668 55.729 56.400 -0.005 0.000 0.815 123 E CB 1.635 31.349 29.700 0.023 0.000 1.119 123 E HN 0.561 nan 8.360 nan 0.000 0.393 124 I N -0.200 120.351 120.570 -0.032 0.000 3.095 124 I HA 0.592 4.763 4.170 0.002 0.000 0.310 124 I C -1.459 174.637 176.117 -0.034 0.000 1.196 124 I CA -1.054 60.220 61.300 -0.043 0.000 0.985 124 I CB 2.448 40.417 38.000 -0.051 0.000 1.250 124 I HN 0.357 nan 8.210 nan 0.000 0.446 125 D N 3.185 123.566 120.400 -0.033 0.000 2.389 125 D HA 0.494 5.135 4.640 0.002 0.000 0.256 125 D C -0.987 175.293 176.300 -0.033 0.000 1.239 125 D CA 0.006 53.986 54.000 -0.034 0.000 0.925 125 D CB 1.242 42.027 40.800 -0.026 0.000 1.145 125 D HN 0.771 nan 8.370 nan 0.000 0.542 126 C N 1.536 120.810 119.300 -0.043 0.000 2.422 126 C HA 0.694 5.155 4.460 0.002 0.000 0.364 126 C C 1.052 176.022 174.990 -0.033 0.000 1.251 126 C CA -0.690 58.305 59.018 -0.039 0.000 2.441 126 C CB 0.826 28.534 27.740 -0.053 0.000 2.393 126 C HN 0.713 nan 8.230 nan 0.000 0.606 127 T N -0.290 114.248 114.554 -0.026 0.000 2.860 127 T HA 0.243 4.593 4.350 0.002 0.000 0.299 127 T C 0.717 175.408 174.700 -0.015 0.000 1.045 127 T CA -0.176 61.913 62.100 -0.018 0.000 1.071 127 T CB 0.427 69.284 68.868 -0.018 0.000 0.985 127 T HN 0.610 nan 8.240 nan 0.000 0.537 128 M N 0.350 119.950 119.600 0.001 0.000 2.447 128 M HA 0.252 4.733 4.480 0.002 0.000 0.266 128 M C 0.536 176.820 176.300 -0.027 0.000 1.120 128 M CA 0.511 55.826 55.300 0.025 0.000 1.166 128 M CB -0.088 32.577 32.600 0.109 0.000 1.349 128 M HN 0.468 nan 8.290 nan 0.000 0.463 129 L N 1.319 122.511 121.223 -0.051 0.000 2.453 129 L HA 0.082 4.423 4.340 0.002 0.000 0.272 129 L C -0.412 176.438 176.870 -0.034 0.000 1.182 129 L CA 0.253 55.054 54.840 -0.065 0.000 0.858 129 L CB 0.301 42.321 42.059 -0.065 0.000 1.120 129 L HN 0.101 nan 8.230 nan 0.000 0.474 130 T N 3.764 118.305 114.554 -0.021 0.000 2.928 130 T HA 0.349 4.700 4.350 0.002 0.000 0.296 130 T C -2.587 172.114 174.700 0.002 0.000 1.000 130 T CA -1.086 61.017 62.100 0.005 0.000 0.989 130 T CB 2.031 70.918 68.868 0.031 0.000 1.005 130 T HN 0.357 nan 8.240 nan 0.000 0.442 131 P HA 0.130 nan 4.420 nan 0.000 0.271 131 P C 0.802 178.109 177.300 0.011 0.000 1.216 131 P CA -0.052 63.035 63.100 -0.022 0.000 0.771 131 P CB 1.256 32.956 31.700 -0.001 0.000 0.864 132 E N 4.045 124.208 120.200 -0.061 0.000 2.108 132 E HA -0.223 4.128 4.350 0.002 0.000 0.203 132 E C -0.872 175.798 176.600 0.116 0.000 1.022 132 E CA 2.155 58.563 56.400 0.013 0.000 0.823 132 E CB -1.403 28.228 29.700 -0.116 0.000 0.744 132 E HN 0.383 nan 8.360 nan 0.000 0.456 133 P HA -0.191 nan 4.420 nan 0.000 0.217 133 P C 1.405 178.775 177.300 0.116 0.000 1.151 133 P CA 1.349 64.499 63.100 0.083 0.000 0.849 133 P CB 0.035 31.772 31.700 0.061 0.000 0.787 134 V N -0.750 119.241 119.914 0.129 0.000 2.261 134 V HA -0.219 3.902 4.120 0.002 0.000 0.246 134 V C 2.353 178.569 176.094 0.204 0.000 1.047 134 V CA 1.712 64.122 62.300 0.184 0.000 1.015 134 V CB -1.201 30.701 31.823 0.132 0.000 0.642 134 V HN 0.093 nan 8.190 nan 0.000 0.446 135 L N -0.231 121.088 121.223 0.160 0.000 2.376 135 L HA -0.084 4.257 4.340 0.002 0.000 0.219 135 L C 2.446 179.392 176.870 0.127 0.000 1.133 135 L CA 0.903 55.812 54.840 0.116 0.000 0.816 135 L CB -0.406 41.694 42.059 0.067 0.000 0.933 135 L HN 0.288 nan 8.230 nan 0.000 0.449 136 K N 0.098 120.578 120.400 0.133 0.000 2.103 136 K HA -0.079 4.242 4.320 0.002 0.000 0.204 136 K C 1.910 178.545 176.600 0.059 0.000 1.052 136 K CA 1.593 57.936 56.287 0.093 0.000 0.945 136 K CB -0.311 32.244 32.500 0.093 0.000 0.722 136 K HN 0.043 nan 8.250 nan 0.000 0.443 137 T N 0.137 114.724 114.554 0.055 0.000 2.737 137 T HA -0.120 4.231 4.350 0.002 0.000 0.265 137 T C 1.784 176.452 174.700 -0.053 0.000 1.038 137 T CA 1.638 63.721 62.100 -0.029 0.000 1.144 137 T CB -0.482 68.347 68.868 -0.066 0.000 0.866 137 T HN 0.506 nan 8.240 nan 0.000 0.434 138 S N 0.719 116.446 115.700 0.045 0.000 2.469 138 S HA 0.143 4.614 4.470 0.002 0.000 0.238 138 S C 1.951 176.778 174.600 0.379 0.000 0.998 138 S CA 1.054 59.404 58.200 0.249 0.000 0.957 138 S CB -0.646 62.802 63.200 0.413 0.000 0.764 138 S HN 0.819 nan 8.310 nan 0.000 0.514 139 G N 0.244 109.132 108.800 0.148 0.000 2.157 139 G HA2 -0.268 3.693 3.960 0.002 0.000 0.239 139 G HA3 -0.268 3.693 3.960 0.002 0.000 0.239 139 G C 0.371 175.034 174.900 -0.396 0.000 0.982 139 G CA 0.481 45.520 45.100 -0.103 0.000 0.650 139 G HN 0.627 nan 8.290 nan 0.000 0.527 140 H N -0.089 118.855 119.070 -0.210 0.000 2.395 140 H HA 0.174 4.731 4.556 0.002 0.000 0.299 140 H C 2.701 177.957 175.328 -0.120 0.000 1.070 140 H CA 1.557 57.529 56.048 -0.127 0.000 1.356 140 H CB -0.063 29.632 29.762 -0.111 0.000 1.401 140 H HN 0.327 nan 8.280 nan 0.000 0.524 141 V N 0.746 120.646 119.914 -0.024 0.000 2.688 141 V HA -0.199 3.922 4.120 0.002 0.000 0.256 141 V C 1.125 177.179 176.094 -0.066 0.000 1.084 141 V CA 1.943 64.197 62.300 -0.076 0.000 1.103 141 V CB -0.188 31.640 31.823 0.008 0.000 0.688 141 V HN 0.482 nan 8.190 nan 0.000 0.480 142 D N -0.798 119.550 120.400 -0.086 0.000 2.431 142 D HA 0.062 4.703 4.640 0.002 0.000 0.227 142 D C 1.962 178.194 176.300 -0.113 0.000 1.030 142 D CA 0.453 54.401 54.000 -0.085 0.000 0.897 142 D CB 0.170 40.929 40.800 -0.068 0.000 1.058 142 D HN 0.340 nan 8.370 nan 0.000 0.500 143 K N -0.474 119.817 120.400 -0.182 0.000 2.380 143 K HA 0.190 4.511 4.320 0.002 0.000 0.198 143 K C 0.073 176.636 176.600 -0.061 0.000 1.070 143 K CA -0.305 55.894 56.287 -0.147 0.000 1.040 143 K CB 0.308 32.709 32.500 -0.165 0.000 0.903 143 K HN -0.070 nan 8.250 nan 0.000 0.549 144 F N 2.294 122.127 119.950 -0.195 0.000 2.541 144 F HA 0.445 4.973 4.527 0.001 0.000 0.347 144 F C -0.152 175.546 175.800 -0.170 0.000 1.242 144 F CA -0.771 57.157 58.000 -0.120 0.000 1.123 144 F CB -0.433 38.549 39.000 -0.029 0.000 1.354 144 F HN 0.043 nan 8.300 nan 0.000 0.621 145 A N 3.737 126.254 122.820 -0.505 0.000 2.566 145 A HA 0.590 4.911 4.320 0.002 0.000 0.290 145 A C -1.742 175.538 177.584 -0.507 0.000 1.071 145 A CA -0.958 50.779 52.037 -0.501 0.000 0.658 145 A CB 1.015 19.804 19.000 -0.353 0.000 1.285 145 A HN 0.339 nan 8.150 nan 0.000 0.427 146 D N -0.224 119.944 120.400 -0.387 0.000 2.433 146 D HA 0.633 5.274 4.640 0.002 0.000 0.236 146 D C -1.003 175.135 176.300 -0.270 0.000 1.026 146 D CA 0.037 53.823 54.000 -0.357 0.000 0.884 146 D CB 1.065 41.733 40.800 -0.221 0.000 1.384 146 D HN 0.338 nan 8.370 nan 0.000 0.477 147 F N 1.198 121.118 119.950 -0.049 0.000 2.456 147 F HA 0.266 4.794 4.527 0.002 0.000 0.358 147 F C 0.861 176.635 175.800 -0.044 0.000 1.095 147 F CA -0.298 57.681 58.000 -0.034 0.000 1.216 147 F CB 0.790 39.775 39.000 -0.026 0.000 1.125 147 F HN -0.035 nan 8.300 nan 0.000 0.549 148 M N 5.647 125.331 119.600 0.141 0.000 2.535 148 M HA 0.734 5.214 4.480 0.002 0.000 0.314 148 M C -1.472 174.795 176.300 -0.054 0.000 1.153 148 M CA -0.754 54.551 55.300 0.009 0.000 0.924 148 M CB 1.863 34.413 32.600 -0.083 0.000 1.710 148 M HN 0.430 nan 8.290 nan 0.000 0.451 149 V N 1.021 120.895 119.914 -0.066 0.000 3.141 149 V HA 0.863 4.984 4.120 0.002 0.000 0.312 149 V C -1.698 174.375 176.094 -0.036 0.000 1.157 149 V CA -0.778 61.461 62.300 -0.102 0.000 1.041 149 V CB 2.151 33.850 31.823 -0.206 0.000 1.071 149 V HN 1.002 nan 8.190 nan 0.000 0.441 150 K N 0.418 120.803 120.400 -0.025 0.000 2.569 150 K HA 0.373 4.694 4.320 0.002 0.000 0.259 150 K C -1.695 174.919 176.600 0.024 0.000 0.932 150 K CA -0.600 55.668 56.287 -0.031 0.000 0.833 150 K CB 1.954 34.378 32.500 -0.127 0.000 1.340 150 K HN 0.899 nan 8.250 nan 0.000 0.429 151 D N 2.442 122.891 120.400 0.081 0.000 2.425 151 D HA -0.017 4.623 4.640 0.002 0.000 0.247 151 D C 1.112 177.428 176.300 0.026 0.000 1.147 151 D CA -0.418 53.629 54.000 0.078 0.000 0.879 151 D CB 1.387 42.261 40.800 0.123 0.000 1.179 151 D HN 0.270 nan 8.370 nan 0.000 0.456 152 V N 2.191 122.117 119.914 0.020 0.000 2.546 152 V HA -0.281 3.840 4.120 0.002 0.000 0.254 152 V C 2.219 178.317 176.094 0.006 0.000 1.076 152 V CA 1.445 63.748 62.300 0.006 0.000 1.087 152 V CB -0.682 31.145 31.823 0.007 0.000 0.674 152 V HN 0.517 nan 8.190 nan 0.000 0.470 153 K N 1.569 121.979 120.400 0.016 0.000 1.987 153 K HA -0.073 4.248 4.320 0.002 0.000 0.222 153 K C 1.042 177.644 176.600 0.004 0.000 1.029 153 K CA 1.549 57.844 56.287 0.014 0.000 1.011 153 K CB -0.800 31.715 32.500 0.025 0.000 0.769 153 K HN 0.811 nan 8.250 nan 0.000 0.444 154 N N -1.171 117.532 118.700 0.004 0.000 2.443 154 N HA 0.184 4.925 4.740 0.002 0.000 0.294 154 N C 0.888 176.376 175.510 -0.036 0.000 1.289 154 N CA -0.246 52.797 53.050 -0.012 0.000 0.966 154 N CB 0.344 38.826 38.487 -0.008 0.000 1.122 154 N HN 0.142 nan 8.380 nan 0.000 0.569 155 G N -0.852 107.913 108.800 -0.059 0.000 3.448 155 G HA2 -0.014 3.947 3.960 0.002 0.000 0.261 155 G HA3 -0.014 3.947 3.960 0.002 0.000 0.261 155 G C -0.010 174.790 174.900 -0.167 0.000 1.173 155 G CA -0.220 44.823 45.100 -0.095 0.000 0.835 155 G HN 0.459 nan 8.290 nan 0.000 0.534 156 E N 0.513 120.598 120.200 -0.191 0.000 2.493 156 E HA 0.073 4.424 4.350 0.002 0.000 0.255 156 E C -0.082 176.131 176.600 -0.645 0.000 0.999 156 E CA 0.191 56.355 56.400 -0.394 0.000 0.934 156 E CB 0.825 30.326 29.700 -0.331 0.000 0.940 156 E HN 0.137 nan 8.360 nan 0.000 0.473 157 C N 4.424 123.286 119.300 -0.729 0.000 2.358 157 C HA 0.643 5.104 4.460 0.002 0.000 0.342 157 C C -0.251 174.223 174.990 -0.860 0.000 1.234 157 C CA -0.625 58.003 59.018 -0.651 0.000 1.969 157 C CB -0.306 27.162 27.740 -0.453 0.000 2.346 157 C HN 0.508 nan 8.230 nan 0.000 0.525 158 F N 0.419 120.327 119.950 -0.071 0.000 2.613 158 F HA 0.508 5.036 4.527 0.001 0.000 0.310 158 F C 0.137 175.922 175.800 -0.026 0.000 1.085 158 F CA -0.939 57.048 58.000 -0.020 0.000 0.945 158 F CB 1.100 40.123 39.000 0.037 0.000 1.298 158 F HN 0.445 nan 8.300 nan 0.000 0.455 159 R N 1.721 122.334 120.500 0.187 0.000 2.272 159 R HA 0.516 4.856 4.340 0.002 0.000 0.334 159 R C 0.928 177.324 176.300 0.160 0.000 1.117 159 R CA 0.318 56.458 56.100 0.066 0.000 0.966 159 R CB 0.602 30.839 30.300 -0.105 0.000 1.049 159 R HN 0.922 nan 8.270 nan 0.000 0.477 160 A N 3.992 126.926 122.820 0.190 0.000 1.915 160 A HA -0.329 3.992 4.320 0.002 0.000 0.220 160 A C 1.733 179.554 177.584 0.395 0.000 1.198 160 A CA 2.259 54.498 52.037 0.337 0.000 0.647 160 A CB -0.671 18.396 19.000 0.111 0.000 0.825 160 A HN 0.954 nan 8.150 nan 0.000 0.456 161 D N -1.312 119.240 120.400 0.254 0.000 2.127 161 D HA -0.229 4.412 4.640 0.002 0.000 0.190 161 D C 1.711 178.179 176.300 0.280 0.000 1.000 161 D CA 2.175 56.309 54.000 0.222 0.000 0.839 161 D CB -0.360 40.484 40.800 0.074 0.000 0.955 161 D HN 0.775 nan 8.370 nan 0.000 0.446 162 H N -0.928 118.213 119.070 0.119 0.000 2.482 162 H HA 0.104 4.661 4.556 0.002 0.000 0.286 162 H C 2.195 177.562 175.328 0.064 0.000 1.017 162 H CA -0.040 56.054 56.048 0.077 0.000 1.322 162 H CB 0.381 30.183 29.762 0.067 0.000 1.426 162 H HN 0.156 nan 8.280 nan 0.000 0.546 163 L N 0.966 122.324 121.223 0.224 0.000 2.027 163 L HA -0.170 4.171 4.340 0.002 0.000 0.206 163 L C 2.382 179.251 176.870 -0.002 0.000 1.074 163 L CA 0.623 55.527 54.840 0.107 0.000 0.745 163 L CB -0.134 42.034 42.059 0.182 0.000 0.898 163 L HN 0.353 nan 8.230 nan 0.000 0.433 164 L N 0.398 121.589 121.223 -0.054 0.000 2.127 164 L HA -0.278 4.063 4.340 0.002 0.000 0.211 164 L C 2.373 179.176 176.870 -0.112 0.000 1.089 164 L CA 1.938 56.627 54.840 -0.253 0.000 0.757 164 L CB -0.694 41.210 42.059 -0.259 0.000 0.899 164 L HN 0.342 nan 8.230 nan 0.000 0.434 165 K N -0.280 120.111 120.400 -0.015 0.000 2.062 165 K HA -0.074 4.247 4.320 0.002 0.000 0.205 165 K C 2.007 178.587 176.600 -0.032 0.000 1.051 165 K CA 1.227 57.503 56.287 -0.019 0.000 0.941 165 K CB -0.038 32.471 32.500 0.015 0.000 0.719 165 K HN 0.366 nan 8.250 nan 0.000 0.440 166 A N -0.171 122.643 122.820 -0.009 0.000 2.014 166 A HA -0.152 4.169 4.320 0.002 0.000 0.218 166 A C 1.835 179.405 177.584 -0.024 0.000 1.163 166 A CA 1.554 53.581 52.037 -0.017 0.000 0.652 166 A CB -0.695 18.303 19.000 -0.004 0.000 0.808 166 A HN 0.527 nan 8.150 nan 0.000 0.449 167 H N 0.000 118.992 119.070 -0.130 0.000 2.363 167 H HA 0.093 4.650 4.556 0.002 0.000 0.301 167 H C 1.713 176.956 175.328 -0.141 0.000 1.074 167 H CA 1.734 57.696 56.048 -0.143 0.000 1.354 167 H CB -0.158 29.482 29.762 -0.204 0.000 1.397 167 H HN 0.346 nan 8.280 nan 0.000 0.516 168 L N -0.085 121.019 121.223 -0.199 0.000 2.093 168 L HA -0.163 4.178 4.340 0.002 0.000 0.208 168 L C 2.424 179.195 176.870 -0.165 0.000 1.085 168 L CA 1.323 56.017 54.840 -0.242 0.000 0.755 168 L CB -0.497 41.416 42.059 -0.243 0.000 0.904 168 L HN 0.399 nan 8.230 nan 0.000 0.435 169 Q N -0.044 119.685 119.800 -0.120 0.000 2.170 169 Q HA -0.242 4.099 4.340 0.002 0.000 0.203 169 Q C 2.129 178.071 176.000 -0.098 0.000 0.976 169 Q CA 1.333 57.085 55.803 -0.084 0.000 0.858 169 Q CB -0.007 28.695 28.738 -0.060 0.000 0.907 169 Q HN 0.219 nan 8.270 nan 0.000 0.433 170 K N 0.849 121.166 120.400 -0.139 0.000 2.025 170 K HA -0.083 4.238 4.320 0.002 0.000 0.207 170 K C 1.755 178.266 176.600 -0.147 0.000 1.049 170 K CA 1.044 57.245 56.287 -0.142 0.000 0.933 170 K CB -0.109 32.281 32.500 -0.183 0.000 0.714 170 K HN 0.121 nan 8.250 nan 0.000 0.438 171 L N -0.193 120.909 121.223 -0.202 0.000 2.141 171 L HA -0.091 4.250 4.340 0.002 0.000 0.209 171 L C 2.247 179.074 176.870 -0.072 0.000 1.094 171 L CA 1.021 55.778 54.840 -0.138 0.000 0.763 171 L CB -0.343 41.634 42.059 -0.136 0.000 0.908 171 L HN 0.217 nan 8.230 nan 0.000 0.437 172 M N -1.359 118.200 119.600 -0.067 0.000 2.562 172 M HA -0.096 4.385 4.480 0.002 0.000 0.257 172 M C 2.250 178.529 176.300 -0.035 0.000 1.099 172 M CA 0.848 56.125 55.300 -0.038 0.000 1.099 172 M CB -0.098 32.482 32.600 -0.032 0.000 1.427 172 M HN 0.135 nan 8.290 nan 0.000 0.489 173 S N -0.119 115.554 115.700 -0.046 0.000 2.470 173 S HA -0.041 4.430 4.470 0.002 0.000 0.222 173 S C 0.389 174.969 174.600 -0.033 0.000 1.024 173 S CA 0.017 58.194 58.200 -0.039 0.000 0.931 173 S CB -0.027 63.147 63.200 -0.045 0.000 0.791 173 S HN 0.389 nan 8.310 nan 0.000 0.513 174 D N 1.497 121.875 120.400 -0.037 0.000 2.371 174 D HA 0.140 4.781 4.640 0.002 0.000 0.256 174 D C 1.143 177.431 176.300 -0.021 0.000 1.193 174 D CA -0.011 53.971 54.000 -0.029 0.000 0.881 174 D CB 0.783 41.563 40.800 -0.033 0.000 1.143 174 D HN -0.083 nan 8.370 nan 0.000 0.473 175 K N 3.030 123.420 120.400 -0.017 0.000 2.286 175 K HA -0.159 4.162 4.320 0.002 0.000 0.203 175 K C 1.273 177.867 176.600 -0.010 0.000 1.045 175 K CA 0.974 57.254 56.287 -0.012 0.000 0.935 175 K CB -0.080 32.414 32.500 -0.011 0.000 0.737 175 K HN 0.534 nan 8.250 nan 0.000 0.460 176 K N 0.171 120.565 120.400 -0.011 0.000 2.504 176 K HA -0.028 4.293 4.320 0.002 0.000 0.195 176 K C 0.824 177.420 176.600 -0.007 0.000 1.036 176 K CA -0.028 56.254 56.287 -0.009 0.000 0.984 176 K CB -0.093 32.401 32.500 -0.009 0.000 0.788 176 K HN 0.045 nan 8.250 nan 0.000 0.488 177 C N 3.031 122.326 119.300 -0.008 0.000 2.632 177 C HA 0.130 4.591 4.460 0.002 0.000 0.415 177 C C 1.056 176.045 174.990 -0.001 0.000 1.332 177 C CA -0.831 58.185 59.018 -0.005 0.000 1.874 177 C CB -0.604 27.132 27.740 -0.007 0.000 2.596 177 C HN 0.476 nan 8.230 nan 0.000 0.590 178 S N 4.544 120.245 115.700 0.002 0.000 2.603 178 S HA 0.261 4.732 4.470 0.002 0.000 0.268 178 S C 1.179 175.783 174.600 0.007 0.000 1.317 178 S CA -0.139 58.062 58.200 0.003 0.000 1.012 178 S CB 1.144 64.345 63.200 0.002 0.000 0.926 178 S HN 1.476 nan 8.310 nan 0.000 0.539 179 V N -0.591 119.327 119.914 0.007 0.000 2.343 179 V HA -0.145 3.976 4.120 0.002 0.000 0.247 179 V C 2.174 178.276 176.094 0.014 0.000 1.051 179 V CA 1.896 64.202 62.300 0.009 0.000 1.036 179 V CB -1.459 30.369 31.823 0.008 0.000 0.654 179 V HN 0.922 nan 8.190 nan 0.000 0.451 180 E N 0.520 120.728 120.200 0.013 0.000 2.110 180 E HA -0.223 4.128 4.350 0.002 0.000 0.193 180 E C 2.269 178.882 176.600 0.023 0.000 0.988 180 E CA 1.548 57.957 56.400 0.016 0.000 0.804 180 E CB -0.156 29.550 29.700 0.011 0.000 0.745 180 E HN 0.710 nan 8.360 nan 0.000 0.458 181 K N 1.461 121.875 120.400 0.023 0.000 2.103 181 K HA -0.149 4.172 4.320 0.002 0.000 0.204 181 K C 2.150 178.779 176.600 0.048 0.000 1.052 181 K CA 0.985 57.294 56.287 0.037 0.000 0.945 181 K CB 0.074 32.593 32.500 0.032 0.000 0.722 181 K HN -0.131 nan 8.250 nan 0.000 0.443 182 K N 0.333 120.752 120.400 0.031 0.000 2.063 182 K HA -0.166 4.155 4.320 0.002 0.000 0.208 182 K C 2.174 178.793 176.600 0.032 0.000 1.048 182 K CA 1.812 58.114 56.287 0.026 0.000 0.928 182 K CB -0.221 32.288 32.500 0.015 0.000 0.713 182 K HN 0.079 nan 8.250 nan 0.000 0.442 183 S N 0.573 116.293 115.700 0.032 0.000 2.368 183 S HA -0.193 4.278 4.470 0.002 0.000 0.224 183 S C 1.919 176.547 174.600 0.047 0.000 1.029 183 S CA 1.620 59.841 58.200 0.036 0.000 0.988 183 S CB -0.301 62.917 63.200 0.031 0.000 0.838 183 S HN 0.503 nan 8.310 nan 0.000 0.462 184 E N 0.216 120.449 120.200 0.055 0.000 2.058 184 E HA -0.207 4.144 4.350 0.002 0.000 0.194 184 E C 2.116 178.775 176.600 0.097 0.000 0.997 184 E CA 1.563 58.009 56.400 0.076 0.000 0.801 184 E CB -0.256 29.492 29.700 0.081 0.000 0.746 184 E HN 0.597 nan 8.360 nan 0.000 0.450 185 M N 0.235 119.892 119.600 0.095 0.000 2.175 185 M HA -0.129 4.352 4.480 0.002 0.000 0.264 185 M C 2.135 178.456 176.300 0.034 0.000 1.063 185 M CA 1.409 56.747 55.300 0.064 0.000 1.119 185 M CB -0.172 32.447 32.600 0.032 0.000 1.377 185 M HN 0.125 nan 8.290 nan 0.000 0.415 186 E N 0.028 120.250 120.200 0.037 0.000 2.077 186 E HA -0.141 4.210 4.350 0.002 0.000 0.193 186 E C 2.065 178.693 176.600 0.048 0.000 0.989 186 E CA 1.507 57.928 56.400 0.035 0.000 0.800 186 E CB -0.086 29.636 29.700 0.036 0.000 0.746 186 E HN 0.407 nan 8.360 nan 0.000 0.452 187 S N 0.455 116.191 115.700 0.059 0.000 2.419 187 S HA -0.109 4.362 4.470 0.002 0.000 0.233 187 S C 2.148 176.804 174.600 0.094 0.000 1.016 187 S CA 0.730 58.971 58.200 0.069 0.000 0.974 187 S CB -0.023 63.219 63.200 0.070 0.000 0.786 187 S HN 0.061 nan 8.310 nan 0.000 0.492 188 V N 1.857 121.840 119.914 0.114 0.000 2.379 188 V HA -0.050 4.071 4.120 0.002 0.000 0.245 188 V C 2.086 178.259 176.094 0.131 0.000 1.044 188 V CA 1.250 63.666 62.300 0.193 0.000 1.036 188 V CB -0.639 31.271 31.823 0.146 0.000 0.664 188 V HN 0.432 nan 8.190 nan 0.000 0.453 189 L N 0.403 121.655 121.223 0.048 0.000 2.141 189 L HA -0.037 4.304 4.340 0.002 0.000 0.209 189 L C 2.322 179.180 176.870 -0.019 0.000 1.094 189 L CA 1.285 56.130 54.840 0.008 0.000 0.763 189 L CB -0.611 41.450 42.059 0.003 0.000 0.908 189 L HN 0.353 nan 8.230 nan 0.000 0.437 190 A N -1.004 121.815 122.820 -0.001 0.000 2.265 190 A HA -0.039 4.282 4.320 0.002 0.000 0.213 190 A C 1.503 179.033 177.584 -0.091 0.000 1.255 190 A CA 0.607 52.640 52.037 -0.007 0.000 0.862 190 A CB -0.195 18.830 19.000 0.043 0.000 0.852 190 A HN 0.467 nan 8.150 nan 0.000 0.484 191 Q N -1.591 118.095 119.800 -0.190 0.000 1.985 191 Q HA 0.377 4.718 4.340 0.002 0.000 0.199 191 Q C 1.019 176.502 176.000 -0.862 0.000 0.776 191 Q CA -0.111 55.453 55.803 -0.398 0.000 0.988 191 Q CB 0.055 28.632 28.738 -0.269 0.000 1.224 191 Q HN 0.541 nan 8.270 nan 0.000 0.432 192 L N 0.412 121.311 121.223 -0.540 0.000 2.042 192 L HA -0.204 4.137 4.340 0.002 0.000 0.210 192 L C 0.929 177.605 176.870 -0.324 0.000 1.076 192 L CA 1.461 56.041 54.840 -0.433 0.000 0.749 192 L CB 0.084 42.083 42.059 -0.100 0.000 0.893 192 L HN 0.346 nan 8.230 nan 0.000 0.432 193 D N -0.696 119.554 120.400 -0.251 0.000 2.378 193 D HA -0.083 4.558 4.640 0.002 0.000 0.227 193 D C 1.199 177.391 176.300 -0.181 0.000 1.012 193 D CA 0.538 54.432 54.000 -0.176 0.000 0.905 193 D CB 0.031 40.713 40.800 -0.197 0.000 0.895 193 D HN 0.445 nan 8.370 nan 0.000 0.532 194 N N -0.595 117.943 118.700 -0.270 0.000 2.428 194 N HA -0.004 4.737 4.740 0.002 0.000 0.181 194 N C 0.110 175.635 175.510 0.025 0.000 1.028 194 N CA 0.010 52.970 53.050 -0.150 0.000 0.877 194 N CB -0.096 38.282 38.487 -0.181 0.000 1.064 194 N HN 0.214 nan 8.380 nan 0.000 0.434 195 Y N 1.057 121.374 120.300 0.028 0.000 2.969 195 Y HA 0.007 4.558 4.550 0.002 0.000 0.339 195 Y C 1.552 177.484 175.900 0.053 0.000 1.272 195 Y CA -0.591 57.525 58.100 0.028 0.000 1.577 195 Y CB 0.056 38.531 38.460 0.026 0.000 1.234 195 Y HN 0.051 nan 8.280 nan 0.000 0.590 196 G N 1.669 110.574 108.800 0.176 0.000 2.568 196 G HA2 0.168 4.129 3.960 0.002 0.000 0.293 196 G HA3 0.168 4.129 3.960 0.002 0.000 0.293 196 G C 0.406 175.190 174.900 -0.192 0.000 1.347 196 G CA -0.573 44.590 45.100 0.105 0.000 1.039 196 G HN 0.630 nan 8.290 nan 0.000 0.523 197 Q N -0.966 118.656 119.800 -0.298 0.000 2.142 197 Q HA -0.271 4.070 4.340 0.002 0.000 0.213 197 Q C 2.334 178.122 176.000 -0.354 0.000 1.004 197 Q CA 2.920 58.376 55.803 -0.577 0.000 0.883 197 Q CB -0.299 28.341 28.738 -0.163 0.000 0.939 197 Q HN 0.605 nan 8.270 nan 0.000 0.413 198 Q N -0.080 119.615 119.800 -0.174 0.000 2.061 198 Q HA -0.030 4.311 4.340 0.002 0.000 0.195 198 Q C 1.855 177.788 176.000 -0.112 0.000 0.967 198 Q CA 1.968 57.699 55.803 -0.119 0.000 0.829 198 Q CB -0.186 28.512 28.738 -0.068 0.000 0.900 198 Q HN 0.601 nan 8.270 nan 0.000 0.450 199 E N 0.069 120.211 120.200 -0.097 0.000 2.114 199 E HA -0.226 4.125 4.350 0.002 0.000 0.199 199 E C 1.980 178.491 176.600 -0.148 0.000 1.008 199 E CA 1.292 57.611 56.400 -0.135 0.000 0.810 199 E CB -0.240 29.386 29.700 -0.124 0.000 0.739 199 E HN 0.334 nan 8.360 nan 0.000 0.456 200 L N 0.070 121.241 121.223 -0.088 0.000 2.217 200 L HA -0.104 4.237 4.340 0.002 0.000 0.211 200 L C 2.338 179.260 176.870 0.087 0.000 1.107 200 L CA 0.645 55.497 54.840 0.019 0.000 0.783 200 L CB -0.142 41.894 42.059 -0.037 0.000 0.919 200 L HN 0.125 nan 8.230 nan 0.000 0.442 201 A N -0.537 122.255 122.820 -0.047 0.000 1.930 201 A HA -0.202 4.119 4.320 0.002 0.000 0.217 201 A C 1.881 179.497 177.584 0.052 0.000 1.175 201 A CA 1.699 53.720 52.037 -0.026 0.000 0.627 201 A CB -0.387 18.554 19.000 -0.097 0.000 0.815 201 A HN 0.383 nan 8.150 nan 0.000 0.443 202 D N 0.257 120.661 120.400 0.008 0.000 2.097 202 D HA -0.098 4.543 4.640 0.002 0.000 0.197 202 D C 1.999 178.329 176.300 0.051 0.000 0.984 202 D CA 1.068 55.072 54.000 0.007 0.000 0.826 202 D CB -0.359 40.416 40.800 -0.041 0.000 0.973 202 D HN 0.425 nan 8.370 nan 0.000 0.460 203 L N -0.113 121.141 121.223 0.052 0.000 2.079 203 L HA -0.174 4.167 4.340 0.002 0.000 0.210 203 L C 2.391 179.345 176.870 0.140 0.000 1.081 203 L CA 0.789 55.700 54.840 0.119 0.000 0.752 203 L CB -0.413 41.659 42.059 0.022 0.000 0.896 203 L HN -0.051 nan 8.230 nan 0.000 0.433 204 F N -0.944 119.023 119.950 0.029 0.000 2.451 204 F HA -0.155 4.373 4.527 0.002 0.000 0.299 204 F C 2.018 177.821 175.800 0.005 0.000 1.101 204 F CA 0.814 58.817 58.000 0.005 0.000 1.436 204 F CB 0.001 38.984 39.000 -0.029 0.000 1.074 204 F HN -0.175 nan 8.300 nan 0.000 0.553 205 V N -1.041 118.964 119.914 0.151 0.000 2.581 205 V HA -0.140 3.981 4.120 0.002 0.000 0.240 205 V C 1.755 177.861 176.094 0.020 0.000 1.054 205 V CA 1.308 63.652 62.300 0.073 0.000 1.076 205 V CB -0.644 31.204 31.823 0.042 0.000 0.748 205 V HN 0.215 nan 8.190 nan 0.000 0.474 206 N N -0.208 118.491 118.700 -0.002 0.000 2.094 206 N HA -0.218 4.523 4.740 0.002 0.000 0.191 206 N C 1.486 176.860 175.510 -0.227 0.000 1.023 206 N CA 1.790 54.760 53.050 -0.133 0.000 0.857 206 N CB -0.194 38.180 38.487 -0.189 0.000 1.013 206 N HN 0.499 nan 8.380 nan 0.000 0.426 207 Y N 0.271 120.549 120.300 -0.036 0.000 2.466 207 Y HA 0.117 4.668 4.550 0.002 0.000 0.272 207 Y C 0.462 176.336 175.900 -0.044 0.000 1.169 207 Y CA -0.378 57.720 58.100 -0.004 0.000 1.285 207 Y CB -0.234 38.240 38.460 0.023 0.000 1.078 207 Y HN 0.025 nan 8.280 nan 0.000 0.523 208 N N 0.376 119.099 118.700 0.039 0.000 2.707 208 N HA -0.194 4.547 4.740 0.002 0.000 0.253 208 N C -0.951 174.507 175.510 -0.087 0.000 0.998 208 N CA 0.307 53.360 53.050 0.005 0.000 0.751 208 N CB -1.059 37.438 38.487 0.016 0.000 0.920 208 N HN 0.007 nan 8.380 nan 0.000 0.539 209 V N 0.423 120.205 119.914 -0.219 0.000 2.694 209 V HA 0.018 4.139 4.120 0.002 0.000 0.306 209 V C 0.988 177.003 176.094 -0.132 0.000 1.054 209 V CA 0.703 62.717 62.300 -0.477 0.000 1.161 209 V CB 0.698 32.100 31.823 -0.702 0.000 0.916 209 V HN 0.277 nan 8.190 nan 0.000 0.490 210 K N 2.323 122.632 120.400 -0.152 0.000 2.482 210 K HA 0.469 4.790 4.320 0.002 0.000 0.257 210 K C -0.365 176.217 176.600 -0.030 0.000 0.969 210 K CA -0.724 55.551 56.287 -0.019 0.000 0.842 210 K CB 1.904 34.403 32.500 -0.002 0.000 1.359 210 K HN 0.571 nan 8.250 nan 0.000 0.441 211 S N 2.430 118.140 115.700 0.017 0.000 2.642 211 S HA -0.017 4.454 4.470 0.002 0.000 0.308 211 S C -1.198 173.344 174.600 -0.097 0.000 1.255 211 S CA -0.906 57.276 58.200 -0.030 0.000 1.057 211 S CB 0.310 63.589 63.200 0.131 0.000 0.785 211 S HN 0.413 nan 8.310 nan 0.000 0.500 212 P HA -0.035 nan 4.420 nan 0.000 0.220 212 P C 0.333 177.601 177.300 -0.053 0.000 1.148 212 P CA 0.777 63.785 63.100 -0.153 0.000 0.803 212 P CB -0.404 31.144 31.700 -0.253 0.000 0.782 213 I N -3.662 116.902 120.570 -0.010 0.000 2.331 213 I HA 0.418 4.589 4.170 0.002 0.000 0.292 213 I C 0.556 176.708 176.117 0.058 0.000 0.998 213 I CA -0.730 60.602 61.300 0.053 0.000 1.267 213 I CB 0.351 38.422 38.000 0.117 0.000 1.386 213 I HN -0.266 nan 8.210 nan 0.000 0.476 214 T N 4.961 119.540 114.554 0.043 0.000 3.473 214 T HA -0.190 4.161 4.350 0.002 0.000 0.403 214 T C 0.883 175.607 174.700 0.041 0.000 0.768 214 T CA 0.730 62.854 62.100 0.039 0.000 2.009 214 T CB -2.004 66.889 68.868 0.042 0.000 1.715 214 T HN 1.929 nan 8.240 nan 0.000 0.666 215 G N 2.772 111.591 108.800 0.033 0.000 2.891 215 G HA2 -0.108 3.853 3.960 0.002 0.000 0.336 215 G HA3 -0.108 3.853 3.960 0.002 0.000 0.336 215 G C 0.158 175.082 174.900 0.039 0.000 0.202 215 G CA 0.620 45.739 45.100 0.031 0.000 1.222 215 G HN 0.923 nan 8.290 nan 0.000 0.344 216 N N 1.195 119.927 118.700 0.052 0.000 2.592 216 N HA 0.499 5.240 4.740 0.002 0.000 0.292 216 N C -0.985 174.558 175.510 0.055 0.000 1.260 216 N CA -0.939 52.142 53.050 0.053 0.000 0.910 216 N CB 0.992 39.518 38.487 0.066 0.000 1.257 216 N HN 0.314 nan 8.380 nan 0.000 0.569 217 D N 0.151 120.580 120.400 0.048 0.000 2.280 217 D HA 0.286 4.927 4.640 0.002 0.000 0.243 217 D C -0.749 175.584 176.300 0.054 0.000 1.129 217 D CA -0.298 53.730 54.000 0.047 0.000 0.848 217 D CB 0.529 41.347 40.800 0.031 0.000 1.107 217 D HN 0.139 nan 8.370 nan 0.000 0.471 218 L N 2.366 123.632 121.223 0.072 0.000 2.349 218 L HA 0.238 4.579 4.340 0.002 0.000 0.275 218 L C 0.844 177.709 176.870 -0.008 0.000 1.115 218 L CA -0.312 54.564 54.840 0.060 0.000 0.820 218 L CB 0.752 42.879 42.059 0.113 0.000 1.135 218 L HN 0.427 nan 8.230 nan 0.000 0.445 219 S N 4.654 120.331 115.700 -0.038 0.000 2.600 219 S HA 0.463 4.934 4.470 0.002 0.000 0.265 219 S C -2.341 172.178 174.600 -0.136 0.000 1.325 219 S CA -1.063 57.098 58.200 -0.066 0.000 1.002 219 S CB 0.121 63.286 63.200 -0.058 0.000 0.921 219 S HN 0.543 nan 8.310 nan 0.000 0.554 220 P HA 0.185 nan 4.420 nan 0.000 0.267 220 P C -2.596 174.568 177.300 -0.226 0.000 1.200 220 P CA -1.228 61.767 63.100 -0.175 0.000 0.772 220 P CB -0.769 30.867 31.700 -0.107 0.000 0.855 221 P HA 0.005 nan 4.420 nan 0.000 0.266 221 P C -0.204 177.023 177.300 -0.121 0.000 1.215 221 P CA 0.317 63.241 63.100 -0.293 0.000 0.763 221 P CB 0.438 31.888 31.700 -0.416 0.000 0.806 222 V N 0.538 120.469 119.914 0.028 0.000 3.001 222 V HA 0.576 4.697 4.120 0.002 0.000 0.314 222 V C 0.004 176.276 176.094 0.296 0.000 1.099 222 V CA -1.012 61.371 62.300 0.139 0.000 0.989 222 V CB 1.795 33.656 31.823 0.063 0.000 1.040 222 V HN 0.389 nan 8.190 nan 0.000 0.434 223 S N 2.495 118.366 115.700 0.284 0.000 2.548 223 S HA 0.601 5.072 4.470 0.002 0.000 0.277 223 S C -0.768 173.901 174.600 0.115 0.000 1.315 223 S CA 0.003 58.274 58.200 0.119 0.000 1.050 223 S CB 0.333 63.548 63.200 0.025 0.000 0.918 223 S HN 0.874 nan 8.310 nan 0.000 0.497 224 F N 4.378 124.250 119.950 -0.129 0.000 2.577 224 F HA 0.320 4.848 4.527 0.002 0.000 0.344 224 F C -0.160 175.540 175.800 -0.168 0.000 1.145 224 F CA -1.038 56.889 58.000 -0.121 0.000 0.996 224 F CB 0.622 39.554 39.000 -0.114 0.000 1.248 224 F HN 0.483 nan 8.300 nan 0.000 0.447 225 N N 6.139 124.457 118.700 -0.636 0.000 2.411 225 N HA 0.003 4.744 4.740 0.002 0.000 0.265 225 N C 0.824 175.851 175.510 -0.804 0.000 1.266 225 N CA 0.364 53.074 53.050 -0.566 0.000 0.889 225 N CB 0.804 39.062 38.487 -0.381 0.000 1.069 225 N HN 0.903 nan 8.380 nan 0.000 0.476 226 L N 3.167 124.087 121.223 -0.505 0.000 2.610 226 L HA 0.077 4.418 4.340 0.002 0.000 0.232 226 L C 0.940 177.704 176.870 -0.177 0.000 1.149 226 L CA 0.355 54.974 54.840 -0.367 0.000 0.872 226 L CB -0.139 41.683 42.059 -0.395 0.000 0.992 226 L HN 0.466 nan 8.230 nan 0.000 0.447 227 M N -0.294 119.221 119.600 -0.140 0.000 2.216 227 M HA 0.222 4.703 4.480 0.002 0.000 0.356 227 M C -0.486 175.740 176.300 -0.123 0.000 1.205 227 M CA -0.388 54.853 55.300 -0.098 0.000 1.122 227 M CB 0.990 33.422 32.600 -0.280 0.000 1.571 227 M HN -0.185 nan 8.290 nan 0.000 0.464 228 F N 2.795 122.794 119.950 0.082 0.000 2.471 228 F HA 0.205 4.732 4.527 0.002 0.000 0.353 228 F C 0.761 176.643 175.800 0.136 0.000 1.113 228 F CA 0.385 58.429 58.000 0.073 0.000 1.262 228 F CB 0.361 39.368 39.000 0.012 0.000 1.146 228 F HN 0.336 nan 8.300 nan 0.000 0.578 229 K N 1.813 122.360 120.400 0.245 0.000 2.156 229 K HA 0.688 5.009 4.320 0.002 0.000 0.254 229 K C -0.714 175.807 176.600 -0.131 0.000 0.950 229 K CA -0.265 56.041 56.287 0.032 0.000 0.849 229 K CB 1.719 34.198 32.500 -0.034 0.000 1.100 229 K HN 0.801 nan 8.250 nan 0.000 0.434 230 T N 1.071 115.400 114.554 -0.375 0.000 2.693 230 T HA 0.486 4.837 4.350 0.002 0.000 0.304 230 T C -1.289 173.039 174.700 -0.621 0.000 1.471 230 T CA -0.617 61.271 62.100 -0.352 0.000 0.993 230 T CB 0.548 69.309 68.868 -0.179 0.000 1.554 230 T HN 0.340 nan 8.240 nan 0.000 0.496 231 F N 0.862 120.761 119.950 -0.084 0.000 2.507 231 F HA 0.602 5.130 4.527 0.001 0.000 0.328 231 F C -0.081 175.677 175.800 -0.071 0.000 1.136 231 F CA -0.994 56.956 58.000 -0.083 0.000 0.930 231 F CB 1.167 40.130 39.000 -0.062 0.000 1.166 231 F HN 0.283 nan 8.300 nan 0.000 0.436 232 I N 3.573 124.196 120.570 0.088 0.000 2.371 232 I HA 0.542 4.713 4.170 0.002 0.000 0.290 232 I C 0.731 176.878 176.117 0.051 0.000 1.028 232 I CA -0.077 61.245 61.300 0.037 0.000 1.345 232 I CB 0.467 38.466 38.000 -0.002 0.000 1.407 232 I HN 0.822 nan 8.210 nan 0.000 0.501 233 G N 7.366 116.185 108.800 0.031 0.000 2.860 233 G HA2 -0.143 3.818 3.960 0.002 0.000 0.553 233 G HA3 -0.143 3.818 3.960 0.002 0.000 0.553 233 G C -2.663 172.246 174.900 0.015 0.000 1.439 233 G CA -1.123 43.987 45.100 0.018 0.000 0.879 233 G HN 0.541 nan 8.290 nan 0.000 0.545 234 P HA 0.509 nan 4.420 nan 0.000 0.271 234 P C 0.838 178.110 177.300 -0.047 0.000 1.216 234 P CA 1.591 64.676 63.100 -0.026 0.000 0.776 234 P CB 0.869 32.554 31.700 -0.024 0.000 0.881 235 G N 1.507 110.252 108.800 -0.093 0.000 2.710 235 G HA2 0.071 4.032 3.960 0.002 0.000 0.668 235 G HA3 0.071 4.032 3.960 0.002 0.000 0.668 235 G C 0.223 174.982 174.900 -0.235 0.000 1.320 235 G CA -0.382 44.634 45.100 -0.140 0.000 0.860 235 G HN 0.737 nan 8.290 nan 0.000 0.538 236 G N -0.909 107.719 108.800 -0.287 0.000 3.899 236 G HA2 0.428 4.389 3.960 0.002 0.000 0.293 236 G HA3 0.428 4.389 3.960 0.002 0.000 0.293 236 G C 0.864 175.744 174.900 -0.034 0.000 1.054 236 G CA 0.917 45.769 45.100 -0.413 0.000 0.846 236 G HN 0.973 nan 8.290 nan 0.000 0.525 237 N N -0.079 118.618 118.700 -0.004 0.000 2.409 237 N HA 0.044 4.785 4.740 0.002 0.000 0.179 237 N C 1.076 176.625 175.510 0.065 0.000 1.032 237 N CA 0.391 53.458 53.050 0.029 0.000 0.898 237 N CB 0.112 38.602 38.487 0.004 0.000 0.971 237 N HN 0.330 nan 8.380 nan 0.000 0.441 238 M N 1.262 120.924 119.600 0.103 0.000 2.488 238 M HA 0.348 4.829 4.480 0.002 0.000 0.204 238 M C -2.867 173.485 176.300 0.087 0.000 0.969 238 M CA -2.133 53.212 55.300 0.074 0.000 0.720 238 M CB 1.159 33.783 32.600 0.040 0.000 1.427 238 M HN -0.134 nan 8.290 nan 0.000 0.427 239 P HA 0.332 nan 4.420 nan 0.000 0.271 239 P C -0.382 176.692 177.300 -0.378 0.000 1.216 239 P CA 0.309 63.270 63.100 -0.231 0.000 0.776 239 P CB 1.417 32.968 31.700 -0.248 0.000 0.881 240 G N 1.178 109.657 108.800 -0.536 0.000 2.866 240 G HA2 0.675 4.636 3.960 0.002 0.000 0.289 240 G HA3 0.675 4.636 3.960 0.002 0.000 0.289 240 G C -2.023 172.495 174.900 -0.637 0.000 1.396 240 G CA -0.558 44.246 45.100 -0.492 0.000 0.848 240 G HN 0.383 nan 8.290 nan 0.000 0.515 241 Y N -1.592 118.643 120.300 -0.108 0.000 2.638 241 Y HA 0.611 5.162 4.550 0.002 0.000 0.339 241 Y C -0.035 175.808 175.900 -0.096 0.000 1.084 241 Y CA -0.943 57.106 58.100 -0.086 0.000 1.068 241 Y CB 1.927 40.354 38.460 -0.055 0.000 1.294 241 Y HN 0.301 nan 8.280 nan 0.000 0.480 242 L N 2.709 123.998 121.223 0.110 0.000 2.275 242 L HA 0.507 4.848 4.340 0.002 0.000 0.288 242 L C 0.119 177.040 176.870 0.084 0.000 1.046 242 L CA -1.003 53.800 54.840 -0.061 0.000 0.805 242 L CB 1.146 42.961 42.059 -0.407 0.000 1.193 242 L HN 0.630 nan 8.230 nan 0.000 0.426 243 R N 4.148 124.683 120.500 0.059 0.000 2.504 243 R HA 0.035 4.376 4.340 0.002 0.000 0.291 243 R C -2.041 174.276 176.300 0.028 0.000 0.974 243 R CA -0.832 55.269 56.100 0.003 0.000 1.077 243 R CB 0.097 30.377 30.300 -0.033 0.000 0.926 243 R HN 0.370 nan 8.270 nan 0.000 0.407 244 P HA -0.100 nan 4.420 nan 0.000 0.240 244 P C -0.574 176.654 177.300 -0.120 0.000 1.190 244 P CA 0.937 63.972 63.100 -0.108 0.000 0.781 244 P CB 0.270 31.656 31.700 -0.524 0.000 0.931 245 E N -2.005 118.089 120.200 -0.176 0.000 2.447 245 E HA 0.282 4.633 4.350 0.002 0.000 0.279 245 E C -0.045 176.452 176.600 -0.172 0.000 1.053 245 E CA -0.653 55.660 56.400 -0.146 0.000 0.840 245 E CB 0.301 29.931 29.700 -0.117 0.000 1.409 245 E HN -0.222 nan 8.360 nan 0.000 0.461 246 T N -2.442 112.007 114.554 -0.174 0.000 3.023 246 T HA 0.256 4.607 4.350 0.002 0.000 0.249 246 T C 1.949 176.499 174.700 -0.250 0.000 1.050 246 T CA 0.789 62.778 62.100 -0.184 0.000 1.088 246 T CB -0.120 68.646 68.868 -0.169 0.000 0.946 246 T HN 0.577 nan 8.240 nan 0.000 0.480 247 A N 2.318 124.953 122.820 -0.309 0.000 1.929 247 A HA -0.295 4.026 4.320 0.002 0.000 0.221 247 A C 2.450 179.562 177.584 -0.786 0.000 1.211 247 A CA 2.228 53.925 52.037 -0.566 0.000 0.657 247 A CB -1.025 17.712 19.000 -0.438 0.000 0.827 247 A HN 0.503 nan 8.150 nan 0.000 0.462 248 Q N -0.902 118.702 119.800 -0.327 0.000 2.112 248 Q HA -0.169 4.172 4.340 0.002 0.000 0.206 248 Q C 2.252 178.156 176.000 -0.159 0.000 0.987 248 Q CA 1.713 57.467 55.803 -0.082 0.000 0.858 248 Q CB -1.313 27.425 28.738 -0.001 0.000 0.905 248 Q HN 0.711 nan 8.270 nan 0.000 0.420 249 G N 0.889 109.579 108.800 -0.184 0.000 2.440 249 G HA2 -0.221 3.739 3.960 0.002 0.000 0.218 249 G HA3 -0.221 3.739 3.960 0.002 0.000 0.218 249 G C 1.565 176.400 174.900 -0.108 0.000 1.154 249 G CA 0.767 45.792 45.100 -0.125 0.000 0.767 249 G HN 0.351 nan 8.290 nan 0.000 0.552 250 I N -0.157 120.293 120.570 -0.201 0.000 2.315 250 I HA -0.072 4.099 4.170 0.002 0.000 0.248 250 I C 2.323 178.521 176.117 0.135 0.000 1.117 250 I CA 0.596 61.852 61.300 -0.073 0.000 1.404 250 I CB -0.242 37.676 38.000 -0.136 0.000 1.071 250 I HN 0.035 nan 8.210 nan 0.000 0.419 251 F N 0.901 120.951 119.950 0.167 0.000 2.146 251 F HA -0.116 4.412 4.527 0.002 0.000 0.298 251 F C 2.229 178.059 175.800 0.049 0.000 1.096 251 F CA 1.011 59.108 58.000 0.162 0.000 1.275 251 F CB -1.168 37.901 39.000 0.114 0.000 1.008 251 F HN -0.040 nan 8.300 nan 0.000 0.480 252 L N -0.192 121.089 121.223 0.096 0.000 2.549 252 L HA -0.109 4.232 4.340 0.002 0.000 0.229 252 L C 0.757 177.669 176.870 0.071 0.000 1.158 252 L CA 0.799 55.638 54.840 -0.002 0.000 0.842 252 L CB -0.502 41.507 42.059 -0.084 0.000 0.952 252 L HN 0.167 nan 8.230 nan 0.000 0.452 253 N N -1.138 117.632 118.700 0.116 0.000 2.351 253 N HA 0.042 4.783 4.740 0.002 0.000 0.254 253 N C 1.032 176.622 175.510 0.134 0.000 1.241 253 N CA -0.091 53.016 53.050 0.095 0.000 0.883 253 N CB 0.533 39.049 38.487 0.049 0.000 1.202 253 N HN 0.129 nan 8.380 nan 0.000 0.512 254 F N 2.401 122.380 119.950 0.049 0.000 2.102 254 F HA -0.099 4.429 4.527 0.002 0.000 0.298 254 F C 2.073 177.865 175.800 -0.012 0.000 1.105 254 F CA 1.524 59.526 58.000 0.004 0.000 1.239 254 F CB 0.335 39.315 39.000 -0.033 0.000 0.991 254 F HN -0.165 nan 8.300 nan 0.000 0.474 255 K N 0.977 121.368 120.400 -0.016 0.000 2.009 255 K HA -0.184 4.137 4.320 0.002 0.000 0.210 255 K C 2.150 178.655 176.600 -0.159 0.000 1.049 255 K CA 2.086 58.303 56.287 -0.116 0.000 0.929 255 K CB -0.674 31.837 32.500 0.018 0.000 0.714 255 K HN 0.435 nan 8.250 nan 0.000 0.440 256 R N 0.579 121.043 120.500 -0.059 0.000 2.148 256 R HA -0.011 4.330 4.340 0.002 0.000 0.227 256 R C 2.509 178.838 176.300 0.050 0.000 1.103 256 R CA 0.922 57.029 56.100 0.012 0.000 0.983 256 R CB -0.598 29.743 30.300 0.068 0.000 0.874 256 R HN 0.115 nan 8.270 nan 0.000 0.451 257 L N 0.752 121.907 121.223 -0.115 0.000 2.044 257 L HA -0.089 4.252 4.340 0.002 0.000 0.205 257 L C 2.434 178.966 176.870 -0.563 0.000 1.075 257 L CA 0.473 55.180 54.840 -0.221 0.000 0.747 257 L CB -0.387 41.631 42.059 -0.068 0.000 0.903 257 L HN 0.130 nan 8.230 nan 0.000 0.435 258 L N 0.313 121.049 121.223 -0.811 0.000 2.131 258 L HA -0.223 4.118 4.340 0.002 0.000 0.210 258 L C 2.352 178.880 176.870 -0.570 0.000 1.092 258 L CA 1.746 55.962 54.840 -1.041 0.000 0.759 258 L CB -0.564 40.931 42.059 -0.940 0.000 0.903 258 L HN 0.278 nan 8.230 nan 0.000 0.435 259 E N -1.245 118.761 120.200 -0.323 0.000 2.153 259 E HA -0.260 4.091 4.350 0.002 0.000 0.194 259 E C 1.992 178.485 176.600 -0.179 0.000 0.988 259 E CA 1.181 57.462 56.400 -0.198 0.000 0.811 259 E CB -0.235 29.382 29.700 -0.138 0.000 0.746 259 E HN 0.554 nan 8.360 nan 0.000 0.466 260 F N 0.977 120.739 119.950 -0.314 0.000 2.216 260 F HA -0.078 4.450 4.527 0.002 0.000 0.300 260 F C 1.993 177.655 175.800 -0.230 0.000 1.085 260 F CA 0.857 58.717 58.000 -0.234 0.000 1.326 260 F CB -0.028 38.846 39.000 -0.210 0.000 1.027 260 F HN 0.041 nan 8.300 nan 0.000 0.497 261 N N 0.828 119.429 118.700 -0.165 0.000 2.378 261 N HA -0.030 4.711 4.740 0.002 0.000 0.243 261 N C 0.031 175.467 175.510 -0.123 0.000 1.137 261 N CA 0.282 53.243 53.050 -0.148 0.000 0.862 261 N CB -0.026 38.323 38.487 -0.229 0.000 1.116 261 N HN 0.206 nan 8.380 nan 0.000 0.499 262 Q N -1.745 117.980 119.800 -0.125 0.000 2.348 262 Q HA -0.221 4.120 4.340 0.002 0.000 0.221 262 Q C 0.822 176.765 176.000 -0.096 0.000 0.735 262 Q CA 1.233 56.976 55.803 -0.100 0.000 1.351 262 Q CB -2.145 26.556 28.738 -0.063 0.000 1.640 262 Q HN 0.601 nan 8.270 nan 0.000 0.667 263 G N -0.646 108.071 108.800 -0.139 0.000 2.157 263 G HA2 -0.313 3.648 3.960 0.002 0.000 0.248 263 G HA3 -0.313 3.648 3.960 0.002 0.000 0.248 263 G C 0.072 174.948 174.900 -0.040 0.000 0.979 263 G CA 0.614 45.646 45.100 -0.113 0.000 0.650 263 G HN 0.303 nan 8.290 nan 0.000 0.529 264 K N -0.597 119.788 120.400 -0.024 0.000 2.098 264 K HA 0.804 5.125 4.320 0.002 0.000 0.258 264 K C 0.013 176.698 176.600 0.142 0.000 0.973 264 K CA -0.653 55.664 56.287 0.050 0.000 0.898 264 K CB 1.181 33.703 32.500 0.037 0.000 1.057 264 K HN 0.065 nan 8.250 nan 0.000 0.447 265 L N 2.959 124.285 121.223 0.173 0.000 2.330 265 L HA 0.578 4.919 4.340 0.002 0.000 0.271 265 L C -1.969 174.990 176.870 0.148 0.000 1.013 265 L CA -1.683 53.297 54.840 0.234 0.000 0.816 265 L CB 0.948 43.139 42.059 0.220 0.000 1.287 265 L HN 0.675 nan 8.230 nan 0.000 0.435 266 P HA 0.632 nan 4.420 nan 0.000 0.284 266 P C -1.505 175.908 177.300 0.189 0.000 1.287 266 P CA -0.375 62.784 63.100 0.098 0.000 0.824 266 P CB 1.657 33.348 31.700 -0.015 0.000 1.180 267 F N -2.982 116.938 119.950 -0.048 0.000 2.725 267 F HA 0.715 5.243 4.527 0.002 0.000 0.309 267 F C -2.274 173.564 175.800 0.065 0.000 1.132 267 F CA -1.182 56.833 58.000 0.025 0.000 0.957 267 F CB 0.747 39.790 39.000 0.070 0.000 1.286 267 F HN 0.542 nan 8.300 nan 0.000 0.440 268 A N 1.860 124.787 122.820 0.177 0.000 2.386 268 A HA 0.998 5.319 4.320 0.002 0.000 0.311 268 A C -1.237 176.512 177.584 0.275 0.000 1.068 268 A CA -0.362 51.745 52.037 0.116 0.000 0.743 268 A CB 1.262 20.416 19.000 0.256 0.000 1.258 268 A HN 1.944 nan 8.150 nan 0.000 0.429 269 A N 0.546 123.502 122.820 0.227 0.000 2.356 269 A HA 0.987 5.308 4.320 0.002 0.000 0.323 269 A C -0.091 177.563 177.584 0.117 0.000 1.119 269 A CA -0.011 52.157 52.037 0.219 0.000 0.790 269 A CB 1.453 20.642 19.000 0.314 0.000 1.273 269 A HN 2.511 nan 8.150 nan 0.000 0.452 270 A N 0.488 123.364 122.820 0.094 0.000 2.594 270 A HA 0.826 5.147 4.320 0.002 0.000 0.291 270 A C -1.005 176.604 177.584 0.041 0.000 1.105 270 A CA -0.474 51.617 52.037 0.090 0.000 0.694 270 A CB 1.580 20.703 19.000 0.205 0.000 1.291 270 A HN 0.826 nan 8.150 nan 0.000 0.410 271 Q N -0.077 119.723 119.800 0.000 0.000 2.340 271 Q HA 0.601 4.942 4.340 0.002 0.000 0.276 271 Q C -1.879 174.044 176.000 -0.128 0.000 1.048 271 Q CA -0.434 55.335 55.803 -0.057 0.000 0.832 271 Q CB 2.421 31.103 28.738 -0.093 0.000 1.373 271 Q HN 0.661 nan 8.270 nan 0.000 0.409 272 I N 2.216 122.707 120.570 -0.132 0.000 2.495 272 I HA 0.614 4.785 4.170 0.002 0.000 0.277 272 I C 0.029 176.046 176.117 -0.166 0.000 1.045 272 I CA -0.393 60.779 61.300 -0.214 0.000 1.135 272 I CB 1.541 39.425 38.000 -0.194 0.000 1.241 272 I HN 0.671 nan 8.210 nan 0.000 0.469 273 G N 4.521 113.209 108.800 -0.187 0.000 2.682 273 G HA2 0.350 4.311 3.960 0.002 0.000 0.303 273 G HA3 0.350 4.311 3.960 0.002 0.000 0.303 273 G C -1.408 173.358 174.900 -0.223 0.000 1.341 273 G CA -0.680 44.322 45.100 -0.164 0.000 0.784 273 G HN 0.340 nan 8.290 nan 0.000 0.497 274 N N 0.189 118.758 118.700 -0.219 0.000 2.524 274 N HA 0.588 5.329 4.740 0.002 0.000 0.283 274 N C -0.620 174.645 175.510 -0.409 0.000 1.142 274 N CA 0.107 52.934 53.050 -0.371 0.000 0.984 274 N CB 1.657 39.928 38.487 -0.362 0.000 1.155 274 N HN 0.336 nan 8.380 nan 0.000 0.467 275 S N 0.734 116.002 115.700 -0.719 0.000 2.570 275 S HA 0.648 5.119 4.470 0.002 0.000 0.286 275 S C -1.148 173.067 174.600 -0.641 0.000 1.099 275 S CA -0.614 57.276 58.200 -0.516 0.000 0.913 275 S CB 0.971 63.834 63.200 -0.561 0.000 1.085 275 S HN 0.306 nan 8.310 nan 0.000 0.480 276 F N 1.907 121.815 119.950 -0.070 0.000 2.520 276 F HA 0.607 5.135 4.527 0.002 0.000 0.322 276 F C 0.467 176.484 175.800 0.361 0.000 1.103 276 F CA -0.849 57.267 58.000 0.194 0.000 0.926 276 F CB 1.437 40.591 39.000 0.256 0.000 1.154 276 F HN 0.200 nan 8.300 nan 0.000 0.453 277 R N 1.582 122.451 120.500 0.614 0.000 2.507 277 R HA 0.205 4.546 4.340 0.002 0.000 0.298 277 R C -1.079 175.360 176.300 0.233 0.000 1.087 277 R CA -0.728 55.625 56.100 0.422 0.000 0.917 277 R CB 1.363 31.932 30.300 0.447 0.000 1.173 277 R HN 0.494 nan 8.270 nan 0.000 0.472 278 N N 2.243 120.773 118.700 -0.283 0.000 2.892 278 N HA -0.059 4.682 4.740 0.002 0.000 0.300 278 N C -0.416 175.065 175.510 -0.049 0.000 1.211 278 N CA 0.140 52.875 53.050 -0.526 0.000 1.158 278 N CB 0.105 37.909 38.487 -1.139 0.000 1.455 278 N HN 0.359 nan 8.380 nan 0.000 0.524 279 E N 1.327 121.572 120.200 0.075 0.000 2.529 279 E HA -0.041 4.310 4.350 0.002 0.000 0.259 279 E C 1.245 177.887 176.600 0.070 0.000 0.966 279 E CA 0.182 56.628 56.400 0.075 0.000 0.937 279 E CB 0.342 30.096 29.700 0.090 0.000 0.923 279 E HN 0.426 nan 8.360 nan 0.000 0.468 280 I N 1.552 122.147 120.570 0.042 0.000 2.052 280 I HA -0.272 3.899 4.170 0.002 0.000 0.235 280 I C 1.179 177.258 176.117 -0.062 0.000 1.046 280 I CA 1.284 62.543 61.300 -0.068 0.000 1.308 280 I CB -0.166 37.765 38.000 -0.115 0.000 1.031 280 I HN 0.299 nan 8.210 nan 0.000 0.395 281 S N 1.723 117.420 115.700 -0.004 0.000 2.259 281 S HA 0.315 4.786 4.470 0.002 0.000 0.181 281 S C -2.400 172.251 174.600 0.085 0.000 1.589 281 S CA -1.437 56.788 58.200 0.041 0.000 1.234 281 S CB 0.379 63.635 63.200 0.093 0.000 1.119 281 S HN 0.013 nan 8.310 nan 0.000 0.458 282 P HA 0.289 nan 4.420 nan 0.000 0.270 282 P C -0.688 176.670 177.300 0.097 0.000 1.242 282 P CA -0.265 62.886 63.100 0.085 0.000 0.768 282 P CB 0.344 32.105 31.700 0.101 0.000 0.820 283 R N 1.735 122.284 120.500 0.082 0.000 2.569 283 R HA 0.218 4.559 4.340 0.002 0.000 0.429 283 R C 0.021 176.357 176.300 0.059 0.000 0.994 283 R CA -0.148 56.013 56.100 0.102 0.000 1.089 283 R CB 0.336 30.714 30.300 0.130 0.000 1.420 283 R HN 0.297 nan 8.270 nan 0.000 0.615 284 S N 0.152 115.796 115.700 -0.093 0.000 2.843 284 S HA 0.291 4.762 4.470 0.002 0.000 0.249 284 S C 0.809 175.088 174.600 -0.535 0.000 1.047 284 S CA 0.099 58.011 58.200 -0.480 0.000 1.042 284 S CB 1.395 64.143 63.200 -0.754 0.000 0.936 284 S HN 0.726 nan 8.310 nan 0.000 0.531 285 G N 2.370 111.066 108.800 -0.173 0.000 2.556 285 G HA2 -0.310 3.651 3.960 0.002 0.000 0.283 285 G HA3 -0.310 3.651 3.960 0.002 0.000 0.283 285 G C 0.527 175.102 174.900 -0.541 0.000 1.177 285 G CA 0.321 45.255 45.100 -0.276 0.000 0.978 285 G HN 0.400 nan 8.290 nan 0.000 0.554 286 L N 1.198 121.936 121.223 -0.808 0.000 2.465 286 L HA 0.088 4.429 4.340 0.002 0.000 0.224 286 L C 2.805 179.367 176.870 -0.513 0.000 1.145 286 L CA 0.057 54.493 54.840 -0.673 0.000 0.834 286 L CB -0.351 41.334 42.059 -0.623 0.000 0.944 286 L HN 0.444 nan 8.230 nan 0.000 0.451 287 I N -0.313 119.854 120.570 -0.671 0.000 2.493 287 I HA -0.152 4.019 4.170 0.002 0.000 0.254 287 I C 1.198 177.090 176.117 -0.375 0.000 1.160 287 I CA 1.262 62.227 61.300 -0.558 0.000 1.445 287 I CB -0.563 36.977 38.000 -0.766 0.000 1.086 287 I HN 0.202 nan 8.210 nan 0.000 0.433 288 R N 1.043 121.369 120.500 -0.289 0.000 2.513 288 R HA 0.393 4.734 4.340 0.002 0.000 0.283 288 R C -0.757 175.537 176.300 -0.011 0.000 1.535 288 R CA -0.141 55.875 56.100 -0.140 0.000 1.315 288 R CB 1.719 31.968 30.300 -0.084 0.000 1.163 288 R HN -0.005 nan 8.270 nan 0.000 0.573 289 V N -0.604 119.315 119.914 0.008 0.000 2.850 289 V HA 0.515 4.636 4.120 0.002 0.000 0.315 289 V C 0.852 177.100 176.094 0.258 0.000 1.064 289 V CA -1.034 61.369 62.300 0.172 0.000 0.979 289 V CB 2.276 34.227 31.823 0.214 0.000 1.039 289 V HN 0.544 nan 8.190 nan 0.000 0.452 290 R N 0.173 120.861 120.500 0.314 0.000 2.317 290 R HA 0.380 4.721 4.340 0.002 0.000 0.208 290 R C 0.205 176.759 176.300 0.424 0.000 0.914 290 R CA 0.221 56.577 56.100 0.426 0.000 1.060 290 R CB 0.324 30.920 30.300 0.492 0.000 1.015 290 R HN 0.907 nan 8.270 nan 0.000 0.498 291 E N 0.612 120.993 120.200 0.302 0.000 2.343 291 E HA 0.240 4.591 4.350 0.002 0.000 0.288 291 E C -1.571 175.109 176.600 0.135 0.000 0.907 291 E CA -0.646 55.744 56.400 -0.017 0.000 0.792 291 E CB 1.014 30.678 29.700 -0.061 0.000 1.275 291 E HN -0.019 nan 8.360 nan 0.000 0.402 292 F N -0.485 119.344 119.950 -0.201 0.000 2.779 292 F HA 0.595 5.123 4.527 0.001 0.000 0.316 292 F C -1.061 174.634 175.800 -0.175 0.000 1.164 292 F CA -0.948 56.982 58.000 -0.117 0.000 0.924 292 F CB 1.270 40.237 39.000 -0.056 0.000 1.348 292 F HN 0.037 nan 8.300 nan 0.000 0.467 293 T N 3.392 117.946 114.554 -0.001 0.000 2.799 293 T HA 0.660 5.011 4.350 0.002 0.000 0.286 293 T C -0.377 174.298 174.700 -0.042 0.000 0.973 293 T CA -0.490 61.526 62.100 -0.138 0.000 1.035 293 T CB 0.869 69.646 68.868 -0.152 0.000 0.932 293 T HN 0.747 nan 8.240 nan 0.000 0.469 294 M N 1.308 120.809 119.600 -0.165 0.000 2.518 294 M HA 0.894 5.375 4.480 0.002 0.000 0.300 294 M C -1.273 174.856 176.300 -0.285 0.000 1.175 294 M CA -1.282 53.950 55.300 -0.113 0.000 0.890 294 M CB 2.190 34.801 32.600 0.017 0.000 1.710 294 M HN 0.481 nan 8.290 nan 0.000 0.453 295 A N 2.327 124.888 122.820 -0.433 0.000 2.273 295 A HA 0.686 5.007 4.320 0.002 0.000 0.315 295 A C -0.940 176.421 177.584 -0.371 0.000 1.256 295 A CA -0.520 51.046 52.037 -0.785 0.000 0.851 295 A CB 0.598 18.343 19.000 -2.092 0.000 1.172 295 A HN 0.912 nan 8.150 nan 0.000 0.508 296 E N 2.159 122.247 120.200 -0.187 0.000 2.210 296 E HA 0.525 4.876 4.350 0.002 0.000 0.266 296 E C -1.223 175.393 176.600 0.026 0.000 0.883 296 E CA -0.433 55.949 56.400 -0.029 0.000 0.761 296 E CB 2.300 31.947 29.700 -0.089 0.000 1.156 296 E HN 0.642 nan 8.360 nan 0.000 0.412 297 I N 2.534 123.139 120.570 0.058 0.000 2.378 297 I HA 0.199 4.370 4.170 0.002 0.000 0.291 297 I C -0.242 175.808 176.117 -0.112 0.000 0.992 297 I CA -0.759 60.556 61.300 0.025 0.000 1.154 297 I CB 1.349 39.377 38.000 0.048 0.000 1.315 297 I HN 0.253 nan 8.210 nan 0.000 0.448 298 E N 5.395 125.503 120.200 -0.154 0.000 2.063 298 E HA 0.188 4.539 4.350 0.002 0.000 0.265 298 E C -0.666 175.648 176.600 -0.476 0.000 0.919 298 E CA -0.333 55.852 56.400 -0.360 0.000 0.756 298 E CB 0.999 30.438 29.700 -0.435 0.000 1.120 298 E HN 0.413 nan 8.360 nan 0.000 0.414 299 H N 4.552 123.344 119.070 -0.463 0.000 2.787 299 H HA 0.176 4.732 4.556 0.002 0.000 0.275 299 H C -0.825 174.298 175.328 -0.342 0.000 1.183 299 H CA -0.521 55.361 56.048 -0.277 0.000 1.290 299 H CB -0.183 29.552 29.762 -0.046 0.000 1.438 299 H HN 0.235 nan 8.280 nan 0.000 0.487 300 F N 4.550 124.258 119.950 -0.403 0.000 2.445 300 F HA 0.195 4.723 4.527 0.002 0.000 0.359 300 F C 0.472 176.143 175.800 -0.216 0.000 1.101 300 F CA -0.120 57.708 58.000 -0.287 0.000 1.177 300 F CB 0.779 39.514 39.000 -0.442 0.000 1.110 300 F HN 0.168 nan 8.300 nan 0.000 0.522 301 V N 3.460 123.459 119.914 0.142 0.000 3.078 301 V HA 0.354 4.475 4.120 0.002 0.000 0.311 301 V C -0.888 175.300 176.094 0.156 0.000 1.138 301 V CA -0.852 61.539 62.300 0.153 0.000 1.007 301 V CB 2.159 34.123 31.823 0.234 0.000 1.045 301 V HN 0.665 nan 8.190 nan 0.000 0.432 302 D N 5.665 126.147 120.400 0.136 0.000 2.417 302 D HA 0.197 4.838 4.640 0.002 0.000 0.250 302 D C -1.530 174.828 176.300 0.098 0.000 1.166 302 D CA -1.320 52.748 54.000 0.114 0.000 0.881 302 D CB 2.022 42.880 40.800 0.096 0.000 1.164 302 D HN 0.451 nan 8.370 nan 0.000 0.467 303 P HA -0.141 nan 4.420 nan 0.000 0.226 303 P C 0.801 178.136 177.300 0.059 0.000 1.146 303 P CA 0.858 64.000 63.100 0.071 0.000 0.773 303 P CB 0.245 31.981 31.700 0.060 0.000 0.772 304 S N -2.238 113.496 115.700 0.057 0.000 2.512 304 S HA 0.149 4.620 4.470 0.002 0.000 0.216 304 S C 1.092 175.719 174.600 0.045 0.000 1.006 304 S CA -0.211 58.017 58.200 0.045 0.000 0.915 304 S CB -0.181 63.043 63.200 0.040 0.000 0.824 304 S HN -0.063 nan 8.310 nan 0.000 0.497 305 E N 1.407 121.642 120.200 0.057 0.000 2.651 305 E HA 0.258 4.608 4.350 0.002 0.000 0.213 305 E C -0.610 176.029 176.600 0.066 0.000 1.028 305 E CA -0.113 56.319 56.400 0.054 0.000 1.183 305 E CB 0.369 30.103 29.700 0.058 0.000 1.188 305 E HN 0.452 nan 8.360 nan 0.000 0.444 306 K N 1.576 122.014 120.400 0.065 0.000 3.256 306 K HA -0.015 4.306 4.320 0.002 0.000 0.285 306 K C -0.585 176.045 176.600 0.050 0.000 1.086 306 K CA 0.216 56.548 56.287 0.077 0.000 1.125 306 K CB -0.251 32.288 32.500 0.065 0.000 1.292 306 K HN 0.013 nan 8.250 nan 0.000 0.312 307 D N -0.304 120.125 120.400 0.048 0.000 2.593 307 D HA 0.077 4.718 4.640 0.002 0.000 0.251 307 D C -1.335 174.989 176.300 0.040 0.000 1.140 307 D CA -0.579 53.435 54.000 0.022 0.000 0.855 307 D CB 0.766 41.569 40.800 0.004 0.000 1.267 307 D HN 0.159 nan 8.370 nan 0.000 0.532 308 H N 4.584 123.631 119.070 -0.039 0.000 2.594 308 H HA 0.269 4.826 4.556 0.002 0.000 0.304 308 H C -1.796 173.470 175.328 -0.104 0.000 1.068 308 H CA -2.039 53.961 56.048 -0.080 0.000 1.308 308 H CB 1.763 31.437 29.762 -0.146 0.000 1.409 308 H HN 0.301 nan 8.280 nan 0.000 0.460 309 P HA -0.119 nan 4.420 nan 0.000 0.218 309 P C 0.600 177.909 177.300 0.015 0.000 1.146 309 P CA 1.483 64.567 63.100 -0.028 0.000 0.813 309 P CB 0.370 32.004 31.700 -0.111 0.000 0.778 310 K N -2.643 117.788 120.400 0.052 0.000 2.374 310 K HA 0.091 4.412 4.320 0.002 0.000 0.196 310 K C 1.476 177.945 176.600 -0.218 0.000 1.023 310 K CA -0.193 55.959 56.287 -0.225 0.000 1.103 310 K CB -0.353 31.808 32.500 -0.564 0.000 0.848 310 K HN 0.034 nan 8.250 nan 0.000 0.528 311 F N 2.844 122.662 119.950 -0.221 0.000 2.111 311 F HA -0.329 4.199 4.527 0.002 0.000 0.300 311 F C 2.223 178.016 175.800 -0.012 0.000 1.088 311 F CA 1.805 59.772 58.000 -0.054 0.000 1.243 311 F CB -0.097 38.883 39.000 -0.034 0.000 0.996 311 F HN 0.019 nan 8.300 nan 0.000 0.483 312 Q N 0.730 120.451 119.800 -0.132 0.000 2.368 312 Q HA -0.182 4.158 4.340 0.002 0.000 0.210 312 Q C 1.579 177.444 176.000 -0.226 0.000 0.982 312 Q CA 1.795 57.471 55.803 -0.211 0.000 0.884 312 Q CB -0.835 27.868 28.738 -0.057 0.000 0.933 312 Q HN 0.654 nan 8.270 nan 0.000 0.460 313 N N -1.476 117.127 118.700 -0.163 0.000 2.396 313 N HA -0.078 4.663 4.740 0.002 0.000 0.180 313 N C 0.923 176.340 175.510 -0.156 0.000 1.028 313 N CA 1.021 54.008 53.050 -0.105 0.000 0.893 313 N CB 0.418 38.902 38.487 -0.005 0.000 0.967 313 N HN 0.281 nan 8.380 nan 0.000 0.440 314 V N -4.210 115.538 119.914 -0.277 0.000 3.398 314 V HA 0.482 4.603 4.120 0.002 0.000 0.298 314 V C 1.613 177.421 176.094 -0.477 0.000 1.496 314 V CA 0.009 62.123 62.300 -0.310 0.000 1.044 314 V CB 0.145 31.805 31.823 -0.272 0.000 0.880 314 V HN 0.001 nan 8.190 nan 0.000 0.443 315 A N 0.280 122.684 122.820 -0.693 0.000 2.076 315 A HA -0.184 4.137 4.320 0.002 0.000 0.220 315 A C 1.671 179.024 177.584 -0.384 0.000 1.160 315 A CA 2.101 53.709 52.037 -0.716 0.000 0.653 315 A CB -0.516 18.089 19.000 -0.659 0.000 0.801 315 A HN 0.562 nan 8.150 nan 0.000 0.455 316 D N -0.506 119.697 120.400 -0.328 0.000 2.358 316 D HA 0.231 4.872 4.640 0.002 0.000 0.224 316 D C -0.168 175.881 176.300 -0.418 0.000 1.123 316 D CA 0.045 53.855 54.000 -0.317 0.000 0.833 316 D CB 0.098 40.770 40.800 -0.214 0.000 0.946 316 D HN 0.363 nan 8.370 nan 0.000 0.505 317 L N 1.042 122.031 121.223 -0.390 0.000 2.350 317 L HA 0.185 4.526 4.340 0.002 0.000 0.275 317 L C 0.323 176.906 176.870 -0.480 0.000 1.099 317 L CA -0.340 54.275 54.840 -0.376 0.000 0.808 317 L CB 1.061 42.939 42.059 -0.303 0.000 1.149 317 L HN -0.057 nan 8.230 nan 0.000 0.442 318 H N 4.777 123.719 119.070 -0.213 0.000 2.581 318 H HA 0.511 5.068 4.556 0.002 0.000 0.308 318 H C -0.768 174.388 175.328 -0.286 0.000 1.040 318 H CA -0.561 55.362 56.048 -0.209 0.000 1.231 318 H CB 1.245 30.928 29.762 -0.132 0.000 1.396 318 H HN 0.268 nan 8.280 nan 0.000 0.467 319 L N 0.317 121.428 121.223 -0.187 0.000 2.393 319 L HA 0.436 4.777 4.340 0.002 0.000 0.260 319 L C -1.001 175.877 176.870 0.014 0.000 1.002 319 L CA -1.387 53.375 54.840 -0.130 0.000 0.818 319 L CB 0.512 42.353 42.059 -0.364 0.000 1.369 319 L HN 0.109 nan 8.230 nan 0.000 0.412 320 Y N 2.160 122.537 120.300 0.128 0.000 2.496 320 Y HA 0.552 5.103 4.550 0.002 0.000 0.334 320 Y C 0.010 176.042 175.900 0.221 0.000 1.080 320 Y CA 0.083 58.270 58.100 0.146 0.000 1.355 320 Y CB 0.479 39.014 38.460 0.126 0.000 1.193 320 Y HN 0.418 nan 8.280 nan 0.000 0.523 321 L N 4.241 125.649 121.223 0.308 0.000 2.334 321 L HA 0.340 4.681 4.340 0.002 0.000 0.276 321 L C -1.004 176.139 176.870 0.455 0.000 1.014 321 L CA -1.048 54.047 54.840 0.424 0.000 0.815 321 L CB 1.439 43.682 42.059 0.308 0.000 1.268 321 L HN 0.506 nan 8.230 nan 0.000 0.428 322 Y N 2.844 123.322 120.300 0.297 0.000 2.748 322 Y HA 0.261 4.812 4.550 0.002 0.000 0.359 322 Y C 0.449 176.335 175.900 -0.024 0.000 1.030 322 Y CA -1.401 56.749 58.100 0.083 0.000 1.169 322 Y CB 0.631 39.068 38.460 -0.039 0.000 1.127 322 Y HN 0.658 nan 8.280 nan 0.000 0.644 323 S N 1.335 117.025 115.700 -0.017 0.000 2.572 323 S HA 0.283 4.754 4.470 0.002 0.000 0.267 323 S C 1.538 175.900 174.600 -0.397 0.000 1.361 323 S CA -0.019 58.052 58.200 -0.215 0.000 1.009 323 S CB 1.145 64.357 63.200 0.020 0.000 0.888 323 S HN 0.723 nan 8.310 nan 0.000 0.553 324 A N 1.601 124.204 122.820 -0.362 0.000 1.933 324 A HA -0.080 4.241 4.320 0.002 0.000 0.218 324 A C 2.212 179.652 177.584 -0.241 0.000 1.175 324 A CA 1.546 53.396 52.037 -0.313 0.000 0.628 324 A CB -0.792 18.069 19.000 -0.233 0.000 0.814 324 A HN 0.901 nan 8.150 nan 0.000 0.444 325 K N -0.307 119.995 120.400 -0.163 0.000 1.991 325 K HA -0.097 4.224 4.320 0.002 0.000 0.212 325 K C 2.286 178.811 176.600 -0.126 0.000 1.049 325 K CA 1.248 57.472 56.287 -0.106 0.000 0.932 325 K CB -0.422 32.049 32.500 -0.049 0.000 0.717 325 K HN 0.410 nan 8.250 nan 0.000 0.441 326 A N 1.495 124.230 122.820 -0.141 0.000 2.084 326 A HA -0.264 4.057 4.320 0.002 0.000 0.221 326 A C 1.947 179.402 177.584 -0.214 0.000 1.161 326 A CA 1.595 53.564 52.037 -0.114 0.000 0.653 326 A CB -0.454 18.523 19.000 -0.038 0.000 0.802 326 A HN 0.390 nan 8.150 nan 0.000 0.457 327 Q N -1.107 118.442 119.800 -0.418 0.000 2.212 327 Q HA 0.010 4.351 4.340 0.002 0.000 0.199 327 Q C 1.948 177.849 176.000 -0.166 0.000 0.950 327 Q CA 1.236 56.798 55.803 -0.401 0.000 0.863 327 Q CB -0.029 28.381 28.738 -0.546 0.000 0.944 327 Q HN 0.521 nan 8.270 nan 0.000 0.465 328 V N 0.672 120.503 119.914 -0.139 0.000 2.599 328 V HA -0.112 4.009 4.120 0.002 0.000 0.245 328 V C 1.942 178.015 176.094 -0.035 0.000 1.046 328 V CA 1.612 63.869 62.300 -0.072 0.000 1.065 328 V CB -0.004 31.780 31.823 -0.066 0.000 0.703 328 V HN 0.346 nan 8.190 nan 0.000 0.464 329 S N 0.559 116.237 115.700 -0.036 0.000 2.701 329 S HA 0.206 4.677 4.470 0.002 0.000 0.220 329 S C 1.623 176.229 174.600 0.011 0.000 0.954 329 S CA 0.441 58.636 58.200 -0.008 0.000 0.936 329 S CB -0.251 62.945 63.200 -0.006 0.000 0.777 329 S HN 1.049 nan 8.310 nan 0.000 0.518 330 G N 1.625 110.433 108.800 0.013 0.000 2.321 330 G HA2 -0.315 3.646 3.960 0.002 0.000 0.287 330 G HA3 -0.315 3.646 3.960 0.002 0.000 0.287 330 G C -0.155 174.786 174.900 0.069 0.000 1.018 330 G CA 0.708 45.834 45.100 0.043 0.000 0.855 330 G HN 0.940 nan 8.290 nan 0.000 0.507 331 Q N -0.856 118.994 119.800 0.083 0.000 2.241 331 Q HA 0.798 5.139 4.340 0.002 0.000 0.262 331 Q C 0.277 176.392 176.000 0.193 0.000 1.014 331 Q CA -0.626 55.240 55.803 0.105 0.000 0.885 331 Q CB 1.395 30.181 28.738 0.079 0.000 1.311 331 Q HN 0.141 nan 8.270 nan 0.000 0.461 332 S N 0.191 115.979 115.700 0.147 0.000 2.634 332 S HA 0.513 4.984 4.470 0.002 0.000 0.261 332 S C -0.173 174.544 174.600 0.194 0.000 1.271 332 S CA -0.335 57.941 58.200 0.126 0.000 0.985 332 S CB 0.814 64.047 63.200 0.055 0.000 0.968 332 S HN 0.726 nan 8.310 nan 0.000 0.568 333 A N 1.060 123.929 122.820 0.083 0.000 2.371 333 A HA 0.507 4.828 4.320 0.002 0.000 0.257 333 A C 0.210 177.901 177.584 0.179 0.000 1.089 333 A CA -0.328 51.829 52.037 0.200 0.000 0.794 333 A CB 0.168 19.181 19.000 0.022 0.000 1.029 333 A HN 0.755 nan 8.150 nan 0.000 0.488 334 R N 0.461 121.054 120.500 0.156 0.000 2.720 334 R HA 0.464 4.805 4.340 0.002 0.000 0.272 334 R C -0.306 175.939 176.300 -0.090 0.000 0.991 334 R CA -0.696 55.430 56.100 0.043 0.000 1.010 334 R CB 1.373 31.698 30.300 0.043 0.000 1.141 334 R HN 0.694 nan 8.270 nan 0.000 0.494 335 K N 3.363 123.590 120.400 -0.289 0.000 2.290 335 K HA 0.246 4.567 4.320 0.002 0.000 0.250 335 K C -0.673 175.798 176.600 -0.216 0.000 1.092 335 K CA -0.040 55.944 56.287 -0.504 0.000 1.006 335 K CB 0.410 32.393 32.500 -0.861 0.000 1.549 335 K HN 0.460 nan 8.250 nan 0.000 0.436 336 M N 1.675 121.216 119.600 -0.098 0.000 2.513 336 M HA 0.397 4.878 4.480 0.002 0.000 0.291 336 M C 0.141 176.476 176.300 0.059 0.000 1.190 336 M CA -0.902 54.394 55.300 -0.007 0.000 0.960 336 M CB 1.326 33.922 32.600 -0.007 0.000 1.517 336 M HN 0.312 nan 8.290 nan 0.000 0.499 337 R N 0.892 121.438 120.500 0.078 0.000 2.265 337 R HA 0.316 4.657 4.340 0.002 0.000 0.319 337 R C 0.603 176.848 176.300 -0.093 0.000 1.006 337 R CA -0.296 55.771 56.100 -0.056 0.000 0.880 337 R CB 0.648 30.925 30.300 -0.038 0.000 1.077 337 R HN 0.841 nan 8.270 nan 0.000 0.454 338 L N 3.773 124.897 121.223 -0.166 0.000 2.010 338 L HA -0.255 4.086 4.340 0.002 0.000 0.219 338 L C 2.105 179.036 176.870 0.103 0.000 1.077 338 L CA 2.200 56.988 54.840 -0.086 0.000 0.773 338 L CB -0.549 41.408 42.059 -0.170 0.000 0.892 338 L HN 1.042 nan 8.230 nan 0.000 0.436 339 G N -0.785 108.051 108.800 0.059 0.000 2.476 339 G HA2 -0.327 3.634 3.960 0.002 0.000 0.218 339 G HA3 -0.327 3.634 3.960 0.002 0.000 0.218 339 G C 0.991 175.960 174.900 0.116 0.000 1.164 339 G CA 1.259 46.476 45.100 0.196 0.000 0.768 339 G HN 0.403 nan 8.290 nan 0.000 0.560 340 D N 0.805 121.231 120.400 0.044 0.000 2.144 340 D HA 0.053 4.693 4.640 0.002 0.000 0.199 340 D C 2.762 179.074 176.300 0.020 0.000 0.984 340 D CA 1.200 55.218 54.000 0.030 0.000 0.834 340 D CB -0.339 40.476 40.800 0.024 0.000 0.955 340 D HN 0.333 nan 8.370 nan 0.000 0.465 341 A N 0.301 123.125 122.820 0.007 0.000 1.908 341 A HA -0.167 4.154 4.320 0.002 0.000 0.218 341 A C 2.348 179.915 177.584 -0.029 0.000 1.181 341 A CA 1.349 53.375 52.037 -0.019 0.000 0.627 341 A CB -0.744 18.210 19.000 -0.078 0.000 0.818 341 A HN 0.172 nan 8.150 nan 0.000 0.445 342 V N -0.002 119.891 119.914 -0.035 0.000 2.453 342 V HA -0.162 3.959 4.120 0.002 0.000 0.247 342 V C 2.476 178.539 176.094 -0.052 0.000 1.048 342 V CA 1.755 63.998 62.300 -0.094 0.000 1.049 342 V CB -0.723 30.960 31.823 -0.233 0.000 0.672 342 V HN 0.490 nan 8.190 nan 0.000 0.457 343 E N 0.567 120.759 120.200 -0.014 0.000 2.021 343 E HA -0.290 4.061 4.350 0.002 0.000 0.200 343 E C 2.251 178.851 176.600 0.001 0.000 1.015 343 E CA 1.716 58.115 56.400 -0.002 0.000 0.824 343 E CB -0.403 29.306 29.700 0.015 0.000 0.762 343 E HN 0.679 nan 8.360 nan 0.000 0.454 344 Q N -0.936 118.870 119.800 0.009 0.000 2.364 344 Q HA -0.066 4.275 4.340 0.002 0.000 0.209 344 Q C 1.186 177.198 176.000 0.020 0.000 0.977 344 Q CA 0.929 56.742 55.803 0.016 0.000 0.885 344 Q CB 0.082 28.834 28.738 0.024 0.000 0.941 344 Q HN 0.532 nan 8.270 nan 0.000 0.464 345 G N -0.966 107.842 108.800 0.014 0.000 2.176 345 G HA2 -0.280 3.680 3.960 0.002 0.000 0.232 345 G HA3 -0.280 3.680 3.960 0.002 0.000 0.232 345 G C 0.815 175.749 174.900 0.057 0.000 0.986 345 G CA 0.178 45.291 45.100 0.023 0.000 0.643 345 G HN 0.210 nan 8.290 nan 0.000 0.522 346 V N 0.851 120.808 119.914 0.071 0.000 2.219 346 V HA -0.056 4.065 4.120 0.002 0.000 0.248 346 V C 1.855 178.080 176.094 0.218 0.000 1.053 346 V CA 2.095 64.487 62.300 0.153 0.000 1.009 346 V CB -0.336 31.574 31.823 0.144 0.000 0.636 346 V HN 0.494 nan 8.190 nan 0.000 0.445 347 I N 1.279 121.873 120.570 0.040 0.000 2.301 347 I HA 0.105 4.276 4.170 0.002 0.000 0.292 347 I C 1.442 177.544 176.117 -0.026 0.000 1.046 347 I CA 0.259 61.516 61.300 -0.071 0.000 1.282 347 I CB 0.283 38.072 38.000 -0.352 0.000 1.409 347 I HN 0.299 nan 8.210 nan 0.000 0.484 348 N N 5.548 124.290 118.700 0.070 0.000 2.098 348 N HA -0.296 4.445 4.740 0.002 0.000 0.185 348 N C 0.588 176.078 175.510 -0.032 0.000 0.956 348 N CA 2.481 55.556 53.050 0.041 0.000 0.888 348 N CB 0.113 38.648 38.487 0.079 0.000 1.053 348 N HN 0.839 nan 8.380 nan 0.000 0.751 349 N N -2.525 116.142 118.700 -0.056 0.000 2.879 349 N HA 0.184 4.925 4.740 0.002 0.000 0.329 349 N C 0.499 175.866 175.510 -0.238 0.000 1.337 349 N CA 0.068 53.053 53.050 -0.110 0.000 0.844 349 N CB 0.490 38.954 38.487 -0.039 0.000 1.236 349 N HN 0.173 nan 8.380 nan 0.000 0.601 350 T N -3.788 110.597 114.554 -0.281 0.000 3.037 350 T HA 0.100 4.451 4.350 0.002 0.000 0.252 350 T C 1.537 176.158 174.700 -0.131 0.000 1.073 350 T CA 0.194 61.988 62.100 -0.511 0.000 1.091 350 T CB -0.544 67.982 68.868 -0.570 0.000 0.935 350 T HN 0.176 nan 8.240 nan 0.000 0.488 351 V N 1.340 121.273 119.914 0.031 0.000 2.358 351 V HA -0.030 4.091 4.120 0.002 0.000 0.246 351 V C 2.517 178.755 176.094 0.240 0.000 1.047 351 V CA 1.252 63.668 62.300 0.193 0.000 1.035 351 V CB -0.724 31.230 31.823 0.218 0.000 0.658 351 V HN 0.330 nan 8.190 nan 0.000 0.452 352 L N 0.965 122.266 121.223 0.131 0.000 2.109 352 L HA 0.039 4.380 4.340 0.002 0.000 0.207 352 L C 2.387 179.278 176.870 0.036 0.000 1.086 352 L CA 2.120 57.027 54.840 0.112 0.000 0.760 352 L CB -1.101 40.971 42.059 0.021 0.000 0.910 352 L HN 0.310 nan 8.230 nan 0.000 0.437 353 G N -1.991 106.784 108.800 -0.043 0.000 2.408 353 G HA2 -0.352 3.609 3.960 0.002 0.000 0.217 353 G HA3 -0.352 3.609 3.960 0.002 0.000 0.217 353 G C 1.541 176.593 174.900 0.252 0.000 1.150 353 G CA 0.842 45.961 45.100 0.031 0.000 0.776 353 G HN 0.431 nan 8.290 nan 0.000 0.542 354 Y N 0.908 121.270 120.300 0.102 0.000 2.114 354 Y HA -0.024 4.527 4.550 0.002 0.000 0.284 354 Y C 2.426 178.196 175.900 -0.215 0.000 1.143 354 Y CA 1.250 59.259 58.100 -0.152 0.000 1.135 354 Y CB -0.598 37.444 38.460 -0.696 0.000 0.980 354 Y HN 0.186 nan 8.280 nan 0.000 0.499 355 F N -0.085 119.805 119.950 -0.101 0.000 2.161 355 F HA -0.253 4.275 4.527 0.002 0.000 0.300 355 F C 2.397 178.202 175.800 0.009 0.000 1.089 355 F CA 1.490 59.458 58.000 -0.054 0.000 1.282 355 F CB -0.490 38.555 39.000 0.074 0.000 1.010 355 F HN 0.044 nan 8.300 nan 0.000 0.485 356 I N -0.382 120.244 120.570 0.092 0.000 2.361 356 I HA -0.239 3.932 4.170 0.002 0.000 0.251 356 I C 2.672 178.691 176.117 -0.163 0.000 1.133 356 I CA 1.412 62.644 61.300 -0.113 0.000 1.413 356 I CB -1.023 36.709 38.000 -0.447 0.000 1.073 356 I HN 0.207 nan 8.210 nan 0.000 0.424 357 G N 0.476 109.187 108.800 -0.148 0.000 2.394 357 G HA2 -0.152 3.809 3.960 0.002 0.000 0.214 357 G HA3 -0.152 3.809 3.960 0.002 0.000 0.214 357 G C 1.793 176.706 174.900 0.022 0.000 1.176 357 G CA 0.070 45.101 45.100 -0.115 0.000 0.786 357 G HN 0.159 nan 8.290 nan 0.000 0.533 358 R N 0.117 120.543 120.500 -0.124 0.000 2.096 358 R HA 0.030 4.371 4.340 0.002 0.000 0.235 358 R C 2.555 179.124 176.300 0.448 0.000 1.127 358 R CA 0.791 56.891 56.100 0.001 0.000 0.968 358 R CB -0.608 29.500 30.300 -0.321 0.000 0.861 358 R HN 0.419 nan 8.270 nan 0.000 0.440 359 I N -0.247 120.677 120.570 0.590 0.000 2.179 359 I HA -0.332 3.839 4.170 0.002 0.000 0.242 359 I C 2.415 178.915 176.117 0.638 0.000 1.088 359 I CA 1.358 63.123 61.300 0.776 0.000 1.357 359 I CB -0.486 37.927 38.000 0.689 0.000 1.051 359 I HN 0.083 nan 8.210 nan 0.000 0.409 360 Y N 1.788 122.387 120.300 0.499 0.000 2.114 360 Y HA -0.278 4.273 4.550 0.002 0.000 0.282 360 Y C 2.316 178.371 175.900 0.258 0.000 1.165 360 Y CA 1.722 60.080 58.100 0.430 0.000 1.148 360 Y CB -0.409 38.215 38.460 0.273 0.000 0.972 360 Y HN 0.023 nan 8.280 nan 0.000 0.504 361 L N -1.272 120.070 121.223 0.198 0.000 2.046 361 L HA -0.246 4.095 4.340 0.002 0.000 0.208 361 L C 2.342 179.154 176.870 -0.098 0.000 1.077 361 L CA 1.727 56.603 54.840 0.060 0.000 0.747 361 L CB -0.925 41.275 42.059 0.234 0.000 0.896 361 L HN 0.331 nan 8.230 nan 0.000 0.432 362 Y N 0.974 121.107 120.300 -0.278 0.000 2.089 362 Y HA -0.251 4.300 4.550 0.002 0.000 0.282 362 Y C 2.369 178.196 175.900 -0.122 0.000 1.139 362 Y CA 1.556 59.385 58.100 -0.452 0.000 1.123 362 Y CB -0.445 37.926 38.460 -0.148 0.000 0.980 362 Y HN -0.043 nan 8.280 nan 0.000 0.493 363 L N -0.761 120.377 121.223 -0.143 0.000 2.043 363 L HA -0.285 4.056 4.340 0.002 0.000 0.212 363 L C 2.333 179.043 176.870 -0.268 0.000 1.075 363 L CA 1.940 56.652 54.840 -0.213 0.000 0.752 363 L CB -1.156 40.907 42.059 0.007 0.000 0.891 363 L HN 0.249 nan 8.230 nan 0.000 0.432 364 T N -0.592 113.786 114.554 -0.294 0.000 2.708 364 T HA -0.234 4.117 4.350 0.002 0.000 0.266 364 T C 1.941 176.525 174.700 -0.193 0.000 1.037 364 T CA 1.596 63.531 62.100 -0.275 0.000 1.146 364 T CB -0.118 68.495 68.868 -0.426 0.000 0.865 364 T HN 0.253 nan 8.240 nan 0.000 0.435 365 K N 0.763 121.034 120.400 -0.214 0.000 2.147 365 K HA -0.054 4.267 4.320 0.002 0.000 0.205 365 K C 1.964 178.457 176.600 -0.178 0.000 1.049 365 K CA 0.905 57.100 56.287 -0.153 0.000 0.936 365 K CB -0.163 32.259 32.500 -0.130 0.000 0.722 365 K HN 0.144 nan 8.250 nan 0.000 0.446 366 V N -0.513 119.212 119.914 -0.315 0.000 3.041 366 V HA 0.039 4.160 4.120 0.002 0.000 0.260 366 V C 1.436 177.426 176.094 -0.173 0.000 1.105 366 V CA 1.396 63.516 62.300 -0.300 0.000 1.125 366 V CB 0.401 31.920 31.823 -0.506 0.000 0.730 366 V HN 0.723 nan 8.190 nan 0.000 0.479 367 G N -0.609 108.118 108.800 -0.121 0.000 2.370 367 G HA2 -0.116 3.845 3.960 0.002 0.000 0.174 367 G HA3 -0.116 3.845 3.960 0.002 0.000 0.174 367 G C -0.019 174.890 174.900 0.015 0.000 1.002 367 G CA -0.485 44.603 45.100 -0.019 0.000 0.730 367 G HN 0.223 nan 8.290 nan 0.000 0.497 368 I N 2.529 123.083 120.570 -0.026 0.000 2.588 368 I HA 0.293 4.464 4.170 0.002 0.000 0.283 368 I C 0.782 176.974 176.117 0.125 0.000 1.119 368 I CA 0.079 61.435 61.300 0.093 0.000 1.419 368 I CB 0.892 38.900 38.000 0.013 0.000 1.394 368 I HN 0.053 nan 8.210 nan 0.000 0.562 369 S N 8.832 124.662 115.700 0.217 0.000 2.481 369 S HA 0.161 4.632 4.470 0.002 0.000 0.276 369 S C -1.378 173.250 174.600 0.047 0.000 1.247 369 S CA -0.850 57.353 58.200 0.007 0.000 1.053 369 S CB 0.901 63.953 63.200 -0.246 0.000 0.925 369 S HN 0.455 nan 8.310 nan 0.000 0.491 370 P HA -0.168 nan 4.420 nan 0.000 0.217 370 P C 1.103 178.517 177.300 0.189 0.000 1.148 370 P CA 0.988 64.235 63.100 0.245 0.000 0.828 370 P CB 0.034 31.912 31.700 0.298 0.000 0.783 371 D N -0.635 119.801 120.400 0.060 0.000 2.363 371 D HA -0.105 4.536 4.640 0.002 0.000 0.220 371 D C 0.693 176.928 176.300 -0.107 0.000 0.994 371 D CA 0.818 54.794 54.000 -0.040 0.000 0.890 371 D CB -0.273 40.504 40.800 -0.038 0.000 0.906 371 D HN 0.251 nan 8.370 nan 0.000 0.530 372 K N -0.115 120.235 120.400 -0.084 0.000 2.676 372 K HA 0.274 4.595 4.320 0.002 0.000 0.205 372 K C -0.628 176.060 176.600 0.146 0.000 1.084 372 K CA -0.466 55.750 56.287 -0.119 0.000 1.057 372 K CB 1.077 33.321 32.500 -0.427 0.000 0.791 372 K HN -0.029 nan 8.250 nan 0.000 0.484 373 L N 1.417 122.803 121.223 0.271 0.000 2.408 373 L HA 0.530 4.871 4.340 0.002 0.000 0.268 373 L C -1.327 175.777 176.870 0.389 0.000 0.986 373 L CA -0.479 54.578 54.840 0.361 0.000 0.820 373 L CB 1.318 43.568 42.059 0.318 0.000 1.303 373 L HN 0.247 nan 8.230 nan 0.000 0.411 374 R N 2.619 123.304 120.500 0.308 0.000 2.692 374 R HA 0.605 4.946 4.340 0.002 0.000 0.269 374 R C -2.008 174.379 176.300 0.145 0.000 1.030 374 R CA -0.737 55.523 56.100 0.267 0.000 0.882 374 R CB 0.984 31.251 30.300 -0.056 0.000 1.250 374 R HN 0.352 nan 8.270 nan 0.000 0.465 375 F N 1.099 121.216 119.950 0.278 0.000 2.375 375 F HA 0.512 5.040 4.527 0.002 0.000 0.361 375 F C 0.387 176.466 175.800 0.465 0.000 1.117 375 F CA -0.654 57.570 58.000 0.374 0.000 1.037 375 F CB 1.807 41.040 39.000 0.390 0.000 1.192 375 F HN 0.352 nan 8.300 nan 0.000 0.452 376 R N 3.292 124.026 120.500 0.389 0.000 2.294 376 R HA 0.328 4.669 4.340 0.002 0.000 0.319 376 R C -0.473 175.766 176.300 -0.102 0.000 0.984 376 R CA -0.582 55.627 56.100 0.181 0.000 0.861 376 R CB 1.186 31.575 30.300 0.149 0.000 1.104 376 R HN 0.773 nan 8.270 nan 0.000 0.451 377 Q N 2.915 122.314 119.800 -0.667 0.000 2.299 377 Q HA 0.111 4.452 4.340 0.002 0.000 0.246 377 Q C -0.705 175.046 176.000 -0.415 0.000 0.935 377 Q CA -0.375 54.778 55.803 -1.084 0.000 0.887 377 Q CB 0.841 28.500 28.738 -1.799 0.000 1.223 377 Q HN 0.678 nan 8.270 nan 0.000 0.439 378 H N 1.972 120.779 119.070 -0.439 0.000 2.671 378 H HA 0.145 4.702 4.556 0.002 0.000 0.372 378 H C 0.238 175.408 175.328 -0.263 0.000 1.227 378 H CA -0.635 55.247 56.048 -0.276 0.000 1.426 378 H CB 0.754 30.397 29.762 -0.198 0.000 1.480 378 H HN 0.493 nan 8.280 nan 0.000 0.611 379 M N 0.690 120.231 119.600 -0.098 0.000 2.363 379 M HA 0.054 4.535 4.480 0.002 0.000 0.280 379 M C 1.591 177.845 176.300 -0.076 0.000 1.182 379 M CA -0.118 55.110 55.300 -0.120 0.000 0.974 379 M CB 0.830 33.344 32.600 -0.143 0.000 1.452 379 M HN 0.744 nan 8.290 nan 0.000 0.507 380 E N 1.348 121.509 120.200 -0.065 0.000 2.026 380 E HA -0.234 4.117 4.350 0.002 0.000 0.206 380 E C 0.957 177.537 176.600 -0.034 0.000 1.028 380 E CA 2.051 58.428 56.400 -0.040 0.000 0.845 380 E CB -0.127 29.557 29.700 -0.027 0.000 0.772 380 E HN 0.764 nan 8.360 nan 0.000 0.462 381 N N -0.422 118.258 118.700 -0.034 0.000 2.346 381 N HA -0.012 4.729 4.740 0.002 0.000 0.225 381 N C 1.150 176.627 175.510 -0.055 0.000 1.144 381 N CA -0.061 52.973 53.050 -0.026 0.000 0.837 381 N CB 0.462 38.951 38.487 0.004 0.000 1.069 381 N HN 0.132 nan 8.380 nan 0.000 0.487 382 E N 0.389 120.534 120.200 -0.093 0.000 2.364 382 E HA 0.065 4.416 4.350 0.002 0.000 0.196 382 E C 0.205 176.706 176.600 -0.166 0.000 0.990 382 E CA -0.305 55.994 56.400 -0.169 0.000 0.886 382 E CB 0.268 29.816 29.700 -0.254 0.000 0.866 382 E HN 0.249 nan 8.360 nan 0.000 0.493 383 M N 1.540 121.100 119.600 -0.067 0.000 2.199 383 M HA -0.095 4.386 4.480 0.002 0.000 0.346 383 M C -0.101 176.103 176.300 -0.161 0.000 1.120 383 M CA 0.287 55.568 55.300 -0.032 0.000 0.932 383 M CB 0.594 33.165 32.600 -0.049 0.000 1.724 383 M HN 0.104 nan 8.290 nan 0.000 0.465 384 A N 3.197 125.847 122.820 -0.284 0.000 2.386 384 A HA 0.255 4.576 4.320 0.002 0.000 0.248 384 A C 0.782 177.944 177.584 -0.704 0.000 1.082 384 A CA 0.101 51.751 52.037 -0.644 0.000 0.789 384 A CB -0.180 18.084 19.000 -1.225 0.000 1.025 384 A HN 1.100 nan 8.150 nan 0.000 0.490 385 H N -0.376 118.358 119.070 -0.561 0.000 2.518 385 H HA -0.213 4.344 4.556 0.002 0.000 0.294 385 H C 0.669 175.639 175.328 -0.597 0.000 1.083 385 H CA 2.442 58.246 56.048 -0.407 0.000 1.264 385 H CB -0.665 28.931 29.762 -0.278 0.000 1.370 385 H HN 0.818 nan 8.280 nan 0.000 0.560 386 Y N -1.233 118.551 120.300 -0.861 0.000 2.444 386 Y HA 0.720 5.271 4.550 0.002 0.000 0.249 386 Y C 0.834 176.439 175.900 -0.493 0.000 1.134 386 Y CA -1.089 56.385 58.100 -1.044 0.000 1.261 386 Y CB -0.336 37.607 38.460 -0.862 0.000 1.143 386 Y HN 0.393 nan 8.280 nan 0.000 0.523 387 A N 0.140 122.799 122.820 -0.268 0.000 2.313 387 A HA 0.618 4.939 4.320 0.002 0.000 0.323 387 A C 0.842 178.402 177.584 -0.041 0.000 1.133 387 A CA -0.063 51.947 52.037 -0.045 0.000 0.847 387 A CB 0.539 19.518 19.000 -0.035 0.000 1.308 387 A HN 0.709 nan 8.150 nan 0.000 0.475 388 C N -1.735 117.570 119.300 0.008 0.000 2.937 388 C HA 0.569 5.030 4.460 0.002 0.000 0.426 388 C C 0.282 175.276 174.990 0.006 0.000 1.321 388 C CA 0.588 59.616 59.018 0.016 0.000 2.082 388 C CB -0.641 27.125 27.740 0.042 0.000 2.834 388 C HN 0.858 nan 8.230 nan 0.000 0.593 389 D N -0.956 119.449 120.400 0.008 0.000 2.596 389 D HA 0.643 5.284 4.640 0.002 0.000 0.234 389 D C -1.396 174.878 176.300 -0.043 0.000 1.181 389 D CA -0.034 53.964 54.000 -0.003 0.000 0.856 389 D CB 2.152 42.991 40.800 0.064 0.000 1.498 389 D HN 0.592 nan 8.370 nan 0.000 0.446 390 C N 2.495 121.709 119.300 -0.142 0.000 3.302 390 C HA 0.742 5.203 4.460 0.002 0.000 0.347 390 C C -2.113 172.686 174.990 -0.319 0.000 1.218 390 C CA -0.609 58.260 59.018 -0.248 0.000 1.234 390 C CB 0.190 27.542 27.740 -0.646 0.000 1.551 390 C HN 0.669 nan 8.230 nan 0.000 0.501 391 W N 3.000 124.189 121.300 -0.186 0.000 2.957 391 W HA 0.514 5.174 4.660 0.001 0.000 0.336 391 W C -1.064 175.477 176.519 0.037 0.000 1.087 391 W CA 0.004 57.344 57.345 -0.009 0.000 1.235 391 W CB 1.500 31.035 29.460 0.125 0.000 1.399 391 W HN 0.560 nan 8.180 nan 0.000 0.480 392 D N 1.796 122.353 120.400 0.261 0.000 2.256 392 D HA 0.551 5.192 4.640 0.002 0.000 0.246 392 D C -0.544 175.780 176.300 0.041 0.000 1.042 392 D CA -0.531 53.558 54.000 0.149 0.000 0.841 392 D CB 1.935 42.823 40.800 0.147 0.000 1.223 392 D HN 0.348 nan 8.370 nan 0.000 0.470 393 A N 2.593 125.309 122.820 -0.173 0.000 2.343 393 A HA 0.350 4.670 4.320 0.002 0.000 0.305 393 A C 0.073 177.538 177.584 -0.199 0.000 1.308 393 A CA -0.417 51.290 52.037 -0.551 0.000 0.949 393 A CB 0.060 18.687 19.000 -0.622 0.000 1.148 393 A HN 0.443 nan 8.150 nan 0.000 0.545 394 E N 1.623 121.781 120.200 -0.069 0.000 2.191 394 E HA 0.505 4.856 4.350 0.002 0.000 0.274 394 E C -0.331 176.449 176.600 0.300 0.000 0.948 394 E CA -0.603 55.884 56.400 0.145 0.000 0.802 394 E CB 1.720 31.569 29.700 0.249 0.000 1.137 394 E HN 0.663 nan 8.360 nan 0.000 0.397 395 S N 2.172 118.008 115.700 0.227 0.000 2.501 395 S HA 0.347 4.818 4.470 0.002 0.000 0.301 395 S C -0.250 174.289 174.600 -0.100 0.000 1.096 395 S CA -1.108 57.177 58.200 0.142 0.000 1.063 395 S CB 1.580 64.786 63.200 0.010 0.000 1.042 395 S HN 0.239 nan 8.310 nan 0.000 0.494 396 K N 2.870 122.973 120.400 -0.495 0.000 2.338 396 K HA 0.308 4.629 4.320 0.002 0.000 0.290 396 K C 0.200 176.623 176.600 -0.295 0.000 1.069 396 K CA 0.231 55.932 56.287 -0.977 0.000 0.941 396 K CB 0.182 31.910 32.500 -1.286 0.000 1.023 396 K HN 1.006 nan 8.250 nan 0.000 0.477 397 T N -1.263 113.149 114.554 -0.237 0.000 2.773 397 T HA 0.200 4.551 4.350 0.002 0.000 0.278 397 T C 1.221 175.874 174.700 -0.078 0.000 1.011 397 T CA -0.268 61.807 62.100 -0.041 0.000 1.014 397 T CB 0.933 69.875 68.868 0.124 0.000 1.293 397 T HN 0.284 nan 8.240 nan 0.000 0.554 398 S N -0.833 114.831 115.700 -0.061 0.000 2.500 398 S HA -0.067 4.403 4.470 0.002 0.000 0.239 398 S C 0.749 175.165 174.600 -0.306 0.000 0.989 398 S CA 0.453 58.522 58.200 -0.218 0.000 0.951 398 S CB -0.987 62.026 63.200 -0.311 0.000 0.759 398 S HN 0.716 nan 8.310 nan 0.000 0.523 399 Y N 2.191 122.457 120.300 -0.057 0.000 2.571 399 Y HA 0.483 5.034 4.550 0.001 0.000 0.275 399 Y C 1.635 177.476 175.900 -0.098 0.000 1.179 399 Y CA -0.122 57.932 58.100 -0.077 0.000 1.242 399 Y CB 0.018 38.428 38.460 -0.084 0.000 1.126 399 Y HN 0.500 nan 8.280 nan 0.000 0.524 400 G N -0.145 108.638 108.800 -0.028 0.000 2.632 400 G HA2 -0.287 3.673 3.960 0.002 0.000 0.224 400 G HA3 -0.287 3.673 3.960 0.002 0.000 0.224 400 G C -0.838 173.984 174.900 -0.130 0.000 1.341 400 G CA -0.920 44.119 45.100 -0.102 0.000 0.880 400 G HN 0.264 nan 8.290 nan 0.000 0.566 401 W N 0.733 122.031 121.300 -0.002 0.000 2.304 401 W HA 0.578 5.239 4.660 0.002 0.000 0.313 401 W C 1.061 177.572 176.519 -0.014 0.000 1.323 401 W CA 0.350 57.691 57.345 -0.006 0.000 1.223 401 W CB 0.411 29.858 29.460 -0.021 0.000 1.237 401 W HN 0.599 nan 8.180 nan 0.000 0.535 402 I N 0.337 121.023 120.570 0.193 0.000 2.686 402 I HA 0.451 4.622 4.170 0.002 0.000 0.295 402 I C -0.386 175.774 176.117 0.072 0.000 1.114 402 I CA -1.533 59.819 61.300 0.086 0.000 1.038 402 I CB 2.036 40.036 38.000 -0.000 0.000 1.238 402 I HN 0.499 nan 8.210 nan 0.000 0.420 403 E N 5.930 126.153 120.200 0.038 0.000 2.316 403 E HA 0.310 4.661 4.350 0.002 0.000 0.275 403 E C 0.109 176.687 176.600 -0.037 0.000 1.029 403 E CA -0.560 55.848 56.400 0.014 0.000 0.871 403 E CB 1.599 31.317 29.700 0.030 0.000 1.022 403 E HN 0.878 nan 8.360 nan 0.000 0.418 404 I N 0.059 120.594 120.570 -0.057 0.000 4.288 404 I HA 0.271 4.442 4.170 0.002 0.000 0.331 404 I C -0.561 175.491 176.117 -0.109 0.000 1.322 404 I CA -0.546 60.708 61.300 -0.077 0.000 1.149 404 I CB 0.934 38.898 38.000 -0.059 0.000 1.112 404 I HN 0.214 nan 8.210 nan 0.000 0.403 405 V N 2.024 121.846 119.914 -0.152 0.000 2.610 405 V HA 0.669 4.790 4.120 0.002 0.000 0.298 405 V C 0.076 176.062 176.094 -0.180 0.000 1.067 405 V CA -0.581 61.543 62.300 -0.294 0.000 0.894 405 V CB 1.453 33.015 31.823 -0.435 0.000 1.015 405 V HN 0.298 nan 8.190 nan 0.000 0.432 406 G N 1.662 110.371 108.800 -0.152 0.000 2.356 406 G HA2 0.511 4.472 3.960 0.002 0.000 0.322 406 G HA3 0.511 4.472 3.960 0.002 0.000 0.322 406 G C -0.679 174.190 174.900 -0.053 0.000 1.125 406 G CA -0.418 44.660 45.100 -0.037 0.000 0.885 406 G HN 0.814 nan 8.290 nan 0.000 0.467 407 C N 3.314 122.626 119.300 0.020 0.000 2.814 407 C HA 0.747 5.208 4.460 0.002 0.000 0.269 407 C C 0.695 175.716 174.990 0.052 0.000 1.090 407 C CA -0.442 58.598 59.018 0.037 0.000 1.492 407 C CB -1.246 26.571 27.740 0.128 0.000 1.825 407 C HN 0.975 nan 8.230 nan 0.000 0.442 408 A N 2.946 125.781 122.820 0.025 0.000 2.279 408 A HA 0.589 4.910 4.320 0.002 0.000 0.303 408 A C 0.412 178.025 177.584 0.049 0.000 1.108 408 A CA -0.085 51.975 52.037 0.038 0.000 0.830 408 A CB 0.492 19.562 19.000 0.117 0.000 1.106 408 A HN 0.763 nan 8.150 nan 0.000 0.493 409 D N 0.809 121.245 120.400 0.061 0.000 2.892 409 D HA 0.057 4.698 4.640 0.002 0.000 0.291 409 D C 0.023 176.364 176.300 0.067 0.000 1.341 409 D CA -0.375 53.665 54.000 0.066 0.000 0.844 409 D CB -0.030 40.820 40.800 0.083 0.000 1.093 409 D HN 0.610 nan 8.370 nan 0.000 0.480 410 R N 0.674 121.222 120.500 0.081 0.000 3.147 410 R HA -0.003 4.338 4.340 0.002 0.000 0.230 410 R C 1.330 177.675 176.300 0.075 0.000 1.549 410 R CA 0.209 56.369 56.100 0.100 0.000 1.025 410 R CB -0.726 29.658 30.300 0.140 0.000 1.180 410 R HN 0.015 nan 8.270 nan 0.000 0.575 411 S N 2.335 118.082 115.700 0.078 0.000 2.119 411 S HA -0.393 4.078 4.470 0.002 0.000 0.535 411 S C 1.405 176.035 174.600 0.049 0.000 0.920 411 S CA 1.170 59.410 58.200 0.068 0.000 3.357 411 S CB -1.015 62.229 63.200 0.073 0.000 2.334 411 S HN 0.989 nan 8.310 nan 0.000 0.494 412 C N -2.166 117.163 119.300 0.048 0.000 2.863 412 C HA 0.596 5.057 4.460 0.002 0.000 0.284 412 C C 1.559 176.548 174.990 -0.001 0.000 1.426 412 C CA -0.546 58.471 59.018 -0.003 0.000 1.782 412 C CB -2.153 25.578 27.740 -0.016 0.000 2.554 412 C HN 0.633 nan 8.230 nan 0.000 0.566 413 Y N 3.183 123.442 120.300 -0.069 0.000 2.030 413 Y HA -0.190 4.361 4.550 0.002 0.000 0.274 413 Y C 2.040 177.869 175.900 -0.119 0.000 1.153 413 Y CA 2.451 60.521 58.100 -0.051 0.000 1.115 413 Y CB -0.335 38.140 38.460 0.025 0.000 0.969 413 Y HN 0.316 nan 8.280 nan 0.000 0.488 414 D N 0.080 120.554 120.400 0.123 0.000 2.108 414 D HA -0.231 4.410 4.640 0.002 0.000 0.190 414 D C 2.205 178.395 176.300 -0.183 0.000 0.995 414 D CA 1.939 55.866 54.000 -0.123 0.000 0.834 414 D CB -0.622 39.705 40.800 -0.787 0.000 0.967 414 D HN 0.301 nan 8.370 nan 0.000 0.446 415 L N 1.277 122.322 121.223 -0.297 0.000 2.081 415 L HA -0.181 4.160 4.340 0.002 0.000 0.212 415 L C 2.622 179.421 176.870 -0.119 0.000 1.080 415 L CA 1.379 56.095 54.840 -0.206 0.000 0.754 415 L CB -0.744 41.104 42.059 -0.351 0.000 0.893 415 L HN -0.071 nan 8.230 nan 0.000 0.433 416 S N -1.903 113.710 115.700 -0.145 0.000 2.355 416 S HA -0.176 4.294 4.470 0.002 0.000 0.222 416 S C 2.145 176.657 174.600 -0.147 0.000 1.031 416 S CA 1.276 59.397 58.200 -0.131 0.000 0.993 416 S CB -0.597 62.514 63.200 -0.147 0.000 0.859 416 S HN 0.516 nan 8.310 nan 0.000 0.453 417 C N 1.535 120.692 119.300 -0.238 0.000 2.393 417 C HA -0.120 4.341 4.460 0.002 0.000 0.276 417 C C 2.594 177.455 174.990 -0.215 0.000 1.215 417 C CA 0.609 59.453 59.018 -0.290 0.000 1.743 417 C CB -1.598 25.892 27.740 -0.416 0.000 2.044 417 C HN 0.610 nan 8.230 nan 0.000 0.464 418 H N 0.537 119.588 119.070 -0.032 0.000 2.389 418 H HA -0.019 4.538 4.556 0.002 0.000 0.299 418 H C 2.433 177.762 175.328 0.000 0.000 1.081 418 H CA 1.715 57.769 56.048 0.009 0.000 1.345 418 H CB -0.651 29.138 29.762 0.045 0.000 1.393 418 H HN 0.530 nan 8.280 nan 0.000 0.520 419 A N 1.458 124.328 122.820 0.084 0.000 1.877 419 A HA -0.174 4.147 4.320 0.002 0.000 0.216 419 A C 2.535 180.131 177.584 0.020 0.000 1.186 419 A CA 1.313 53.377 52.037 0.045 0.000 0.620 419 A CB -0.384 18.621 19.000 0.008 0.000 0.822 419 A HN 0.290 nan 8.150 nan 0.000 0.443 420 R N -0.646 119.846 120.500 -0.013 0.000 2.081 420 R HA -0.063 4.278 4.340 0.002 0.000 0.235 420 R C 2.472 178.768 176.300 -0.008 0.000 1.131 420 R CA 1.227 57.314 56.100 -0.022 0.000 0.960 420 R CB -0.421 29.847 30.300 -0.053 0.000 0.856 420 R HN 0.519 nan 8.270 nan 0.000 0.436 421 A N 0.544 123.362 122.820 -0.004 0.000 1.897 421 A HA -0.130 4.191 4.320 0.002 0.000 0.215 421 A C 2.150 179.756 177.584 0.037 0.000 1.181 421 A CA 1.858 53.903 52.037 0.013 0.000 0.620 421 A CB -0.606 18.403 19.000 0.014 0.000 0.821 421 A HN 0.480 nan 8.150 nan 0.000 0.443 422 T N -3.931 110.658 114.554 0.057 0.000 3.081 422 T HA 0.172 4.523 4.350 0.002 0.000 0.250 422 T C 0.576 175.301 174.700 0.042 0.000 1.100 422 T CA 0.611 62.746 62.100 0.058 0.000 1.038 422 T CB -0.357 68.558 68.868 0.079 0.000 0.962 422 T HN 0.481 nan 8.240 nan 0.000 0.516 423 K N 0.227 120.648 120.400 0.034 0.000 3.071 423 K HA -0.100 4.221 4.320 0.002 0.000 0.265 423 K C -1.005 175.614 176.600 0.031 0.000 1.060 423 K CA 0.239 56.542 56.287 0.026 0.000 0.767 423 K CB -2.035 30.477 32.500 0.021 0.000 1.241 423 K HN 0.407 nan 8.250 nan 0.000 0.486 424 V N 1.318 121.256 119.914 0.041 0.000 2.447 424 V HA 0.251 4.372 4.120 0.002 0.000 0.292 424 V C -1.808 174.317 176.094 0.052 0.000 1.021 424 V CA -1.570 60.758 62.300 0.047 0.000 0.850 424 V CB 1.612 33.468 31.823 0.056 0.000 1.005 424 V HN 0.067 nan 8.190 nan 0.000 0.426 425 P HA 0.172 nan 4.420 nan 0.000 0.265 425 P C -0.858 176.489 177.300 0.079 0.000 1.193 425 P CA 0.138 63.267 63.100 0.050 0.000 0.765 425 P CB 1.069 32.796 31.700 0.045 0.000 0.823 426 L N 3.913 125.179 121.223 0.071 0.000 2.481 426 L HA 0.350 4.691 4.340 0.002 0.000 0.255 426 L C 0.384 177.298 176.870 0.073 0.000 1.192 426 L CA -0.632 54.278 54.840 0.117 0.000 0.924 426 L CB 1.355 43.432 42.059 0.030 0.000 1.179 426 L HN 0.242 nan 8.230 nan 0.000 0.491 427 V N -1.186 118.837 119.914 0.182 0.000 3.103 427 V HA 1.060 5.181 4.120 0.002 0.000 0.311 427 V C -0.596 175.647 176.094 0.248 0.000 1.322 427 V CA -0.516 61.884 62.300 0.168 0.000 1.063 427 V CB 1.914 33.788 31.823 0.086 0.000 1.090 427 V HN 0.432 nan 8.190 nan 0.000 0.462 428 A N -0.376 122.556 122.820 0.187 0.000 2.564 428 A HA 0.927 5.248 4.320 0.002 0.000 0.288 428 A C -0.959 176.688 177.584 0.105 0.000 1.164 428 A CA -0.759 51.372 52.037 0.156 0.000 0.712 428 A CB 1.819 20.944 19.000 0.207 0.000 1.303 428 A HN 0.945 nan 8.150 nan 0.000 0.418 429 E N -0.052 120.197 120.200 0.082 0.000 2.299 429 E HA 0.585 4.936 4.350 0.002 0.000 0.265 429 E C -1.271 175.369 176.600 0.067 0.000 0.911 429 E CA -0.861 55.580 56.400 0.067 0.000 0.789 429 E CB 2.440 32.172 29.700 0.052 0.000 1.246 429 E HN 0.597 nan 8.360 nan 0.000 0.427 430 K N 0.412 120.850 120.400 0.063 0.000 2.523 430 K HA 0.491 4.812 4.320 0.002 0.000 0.257 430 K C -2.997 173.640 176.600 0.062 0.000 0.932 430 K CA -1.787 54.536 56.287 0.061 0.000 0.812 430 K CB 2.086 34.624 32.500 0.063 0.000 1.326 430 K HN 0.147 nan 8.250 nan 0.000 0.433 513 V N -0.495 119.519 119.914 0.167 0.000 2.735 513 V HA 0.741 4.862 4.120 0.002 0.000 0.310 513 V C -0.668 175.468 176.094 0.069 0.000 1.061 513 V CA -0.762 61.600 62.300 0.103 0.000 0.913 513 V CB 2.374 34.250 31.823 0.088 0.000 1.005 513 V HN 0.201 nan 8.190 nan 0.000 0.428 514 E N 2.633 122.868 120.200 0.058 0.000 2.212 514 E HA 0.476 4.827 4.350 0.002 0.000 0.268 514 E C -0.711 175.920 176.600 0.052 0.000 0.902 514 E CA -0.642 55.786 56.400 0.047 0.000 0.779 514 E CB 2.179 31.902 29.700 0.039 0.000 1.172 514 E HN 1.008 nan 8.360 nan 0.000 0.409 515 E N 2.105 122.334 120.200 0.048 0.000 2.242 515 E HA 0.505 4.856 4.350 0.002 0.000 0.275 515 E C -0.667 175.965 176.600 0.053 0.000 1.002 515 E CA -0.899 55.533 56.400 0.054 0.000 0.841 515 E CB 1.730 31.460 29.700 0.049 0.000 1.109 515 E HN 0.255 nan 8.360 nan 0.000 0.394 516 V N -0.537 119.416 119.914 0.066 0.000 3.087 516 V HA 0.552 4.673 4.120 0.002 0.000 0.306 516 V C -0.306 175.823 176.094 0.059 0.000 1.187 516 V CA -1.075 61.260 62.300 0.059 0.000 0.999 516 V CB 1.423 33.286 31.823 0.067 0.000 1.049 516 V HN 0.683 nan 8.190 nan 0.000 0.431 517 V N -0.119 119.813 119.914 0.031 0.000 2.334 517 V HA 0.591 4.712 4.120 0.002 0.000 0.267 517 V C -2.337 173.769 176.094 0.021 0.000 1.040 517 V CA -2.046 60.249 62.300 -0.008 0.000 0.866 517 V CB 0.195 31.995 31.823 -0.038 0.000 1.019 517 V HN 0.853 nan 8.190 nan 0.000 0.468 518 P HA 0.136 nan 4.420 nan 0.000 0.262 518 P C -0.413 176.961 177.300 0.124 0.000 1.182 518 P CA 0.418 63.603 63.100 0.141 0.000 0.761 518 P CB 0.246 32.108 31.700 0.271 0.000 0.795 519 N N 1.366 120.136 118.700 0.117 0.000 2.514 519 N HA 0.333 5.074 4.740 0.002 0.000 0.277 519 N C -0.868 174.691 175.510 0.081 0.000 1.126 519 N CA -0.341 52.761 53.050 0.086 0.000 0.978 519 N CB 0.669 39.207 38.487 0.084 0.000 1.106 519 N HN 0.129 nan 8.380 nan 0.000 0.461 520 V N 3.131 123.056 119.914 0.019 0.000 2.495 520 V HA 0.587 4.708 4.120 0.002 0.000 0.298 520 V C -0.938 175.130 176.094 -0.043 0.000 1.031 520 V CA -0.707 61.541 62.300 -0.086 0.000 0.871 520 V CB 0.971 32.652 31.823 -0.235 0.000 0.988 520 V HN 0.448 nan 8.190 nan 0.000 0.432 521 I N 5.794 126.337 120.570 -0.045 0.000 2.312 521 I HA 0.456 4.627 4.170 0.002 0.000 0.290 521 I C 0.201 176.214 176.117 -0.174 0.000 1.008 521 I CA 0.184 61.448 61.300 -0.061 0.000 1.226 521 I CB 1.520 39.502 38.000 -0.030 0.000 1.371 521 I HN 0.789 nan 8.210 nan 0.000 0.468 522 E N 8.424 128.548 120.200 -0.127 0.000 2.070 522 E HA 0.409 4.760 4.350 0.002 0.000 0.261 522 E C -2.539 173.985 176.600 -0.126 0.000 0.926 522 E CA -1.926 54.389 56.400 -0.142 0.000 0.760 522 E CB 1.026 30.668 29.700 -0.097 0.000 1.133 522 E HN 0.240 nan 8.360 nan 0.000 0.420 523 P HA 0.092 nan 4.420 nan 0.000 0.280 523 P C -1.147 176.156 177.300 0.005 0.000 1.300 523 P CA -0.166 62.875 63.100 -0.099 0.000 0.785 523 P CB 1.278 32.965 31.700 -0.021 0.000 0.874 524 S N 3.710 119.339 115.700 -0.118 0.000 2.433 524 S HA 0.606 5.077 4.470 0.002 0.000 0.310 524 S C -1.016 173.490 174.600 -0.158 0.000 1.097 524 S CA -0.455 57.728 58.200 -0.027 0.000 1.103 524 S CB -0.265 62.932 63.200 -0.006 0.000 0.992 524 S HN 0.078 nan 8.310 nan 0.000 0.469 525 F N 2.404 122.276 119.950 -0.130 0.000 2.426 525 F HA 0.489 5.017 4.527 0.002 0.000 0.348 525 F C 0.990 176.718 175.800 -0.120 0.000 1.124 525 F CA -1.053 56.860 58.000 -0.146 0.000 1.008 525 F CB 1.560 40.371 39.000 -0.315 0.000 1.139 525 F HN 0.619 nan 8.300 nan 0.000 0.452 526 G N 4.524 113.362 108.800 0.064 0.000 2.857 526 G HA2 0.375 4.336 3.960 0.002 0.000 0.326 526 G HA3 0.375 4.336 3.960 0.002 0.000 0.326 526 G C 0.900 175.799 174.900 -0.000 0.000 0.950 526 G CA -0.366 44.750 45.100 0.027 0.000 1.400 526 G HN 0.784 nan 8.290 nan 0.000 0.473 527 L N 2.203 123.426 121.223 -0.000 0.000 2.051 527 L HA -0.165 4.176 4.340 0.002 0.000 0.214 527 L C 3.025 179.847 176.870 -0.081 0.000 1.076 527 L CA 1.620 56.428 54.840 -0.053 0.000 0.758 527 L CB -0.418 41.564 42.059 -0.128 0.000 0.890 527 L HN 0.547 nan 8.230 nan 0.000 0.433 528 G N -0.198 108.566 108.800 -0.059 0.000 2.446 528 G HA2 -0.250 3.711 3.960 0.002 0.000 0.217 528 G HA3 -0.250 3.711 3.960 0.002 0.000 0.217 528 G C 1.750 176.594 174.900 -0.094 0.000 1.168 528 G CA 0.570 45.635 45.100 -0.058 0.000 0.771 528 G HN 0.298 nan 8.290 nan 0.000 0.551 529 R N -0.237 120.184 120.500 -0.132 0.000 2.092 529 R HA 0.088 4.429 4.340 0.002 0.000 0.231 529 R C 2.596 178.844 176.300 -0.087 0.000 1.119 529 R CA 0.874 56.902 56.100 -0.120 0.000 0.970 529 R CB -0.340 29.861 30.300 -0.164 0.000 0.864 529 R HN 0.394 nan 8.270 nan 0.000 0.440 530 I N 0.495 121.012 120.570 -0.088 0.000 2.252 530 I HA -0.287 3.884 4.170 0.002 0.000 0.245 530 I C 2.653 178.640 176.117 -0.217 0.000 1.102 530 I CA 1.179 62.422 61.300 -0.094 0.000 1.385 530 I CB -0.149 37.865 38.000 0.024 0.000 1.064 530 I HN 0.228 nan 8.210 nan 0.000 0.414 531 M N -0.331 119.106 119.600 -0.271 0.000 2.132 531 M HA -0.268 4.213 4.480 0.002 0.000 0.263 531 M C 2.482 178.297 176.300 -0.808 0.000 1.065 531 M CA 1.883 56.859 55.300 -0.539 0.000 1.122 531 M CB -0.229 32.086 32.600 -0.475 0.000 1.365 531 M HN 0.211 nan 8.290 nan 0.000 0.411 532 Y N 0.915 120.917 120.300 -0.497 0.000 2.181 532 Y HA -0.228 4.323 4.550 0.002 0.000 0.288 532 Y C 2.157 177.922 175.900 -0.225 0.000 1.146 532 Y CA 2.418 60.369 58.100 -0.249 0.000 1.164 532 Y CB -0.743 37.642 38.460 -0.125 0.000 0.982 532 Y HN 0.229 nan 8.280 nan 0.000 0.515 533 T N -0.305 114.097 114.554 -0.254 0.000 2.720 533 T HA -0.202 4.149 4.350 0.002 0.000 0.268 533 T C 2.054 176.442 174.700 -0.521 0.000 1.037 533 T CA 1.738 63.583 62.100 -0.426 0.000 1.144 533 T CB -0.794 67.847 68.868 -0.377 0.000 0.864 533 T HN 0.220 nan 8.240 nan 0.000 0.444 534 V N 0.982 120.645 119.914 -0.418 0.000 2.392 534 V HA -0.155 3.966 4.120 0.002 0.000 0.249 534 V C 2.176 178.240 176.094 -0.049 0.000 1.059 534 V CA 1.556 63.704 62.300 -0.253 0.000 1.051 534 V CB -0.866 30.753 31.823 -0.340 0.000 0.658 534 V HN 0.346 nan 8.190 nan 0.000 0.455 535 F N 0.787 120.657 119.950 -0.134 0.000 2.046 535 F HA -0.143 4.385 4.527 0.002 0.000 0.297 535 F C 2.541 178.319 175.800 -0.037 0.000 1.123 535 F CA 1.499 59.475 58.000 -0.039 0.000 1.199 535 F CB -1.037 37.776 39.000 -0.312 0.000 0.972 535 F HN 0.209 nan 8.300 nan 0.000 0.474 536 E N -1.257 118.880 120.200 -0.105 0.000 2.268 536 E HA -0.178 4.173 4.350 0.002 0.000 0.195 536 E C 1.734 178.382 176.600 0.079 0.000 0.995 536 E CA 0.998 57.342 56.400 -0.093 0.000 0.836 536 E CB -0.314 29.281 29.700 -0.176 0.000 0.763 536 E HN 0.636 nan 8.360 nan 0.000 0.491 537 H N -1.080 117.935 119.070 -0.092 0.000 2.563 537 H HA 0.043 4.600 4.556 0.002 0.000 0.264 537 H C 1.594 176.842 175.328 -0.134 0.000 0.957 537 H CA 1.125 57.115 56.048 -0.096 0.000 1.173 537 H CB 0.604 30.325 29.762 -0.069 0.000 1.420 537 H HN 0.141 nan 8.280 nan 0.000 0.551 538 T N -2.485 112.050 114.554 -0.032 0.000 3.043 538 T HA 0.046 4.397 4.350 0.002 0.000 0.272 538 T C 0.069 174.319 174.700 -0.751 0.000 0.990 538 T CA -0.492 61.465 62.100 -0.238 0.000 0.897 538 T CB -0.484 68.400 68.868 0.026 0.000 1.111 538 T HN 0.068 nan 8.240 nan 0.000 0.529 539 F N 4.189 123.643 119.950 -0.827 0.000 2.467 539 F HA 0.453 4.980 4.527 0.001 0.000 0.362 539 F C -0.058 174.991 175.800 -1.251 0.000 1.090 539 F CA -0.318 56.976 58.000 -1.177 0.000 1.202 539 F CB 0.305 38.822 39.000 -0.805 0.000 1.113 539 F HN 0.198 nan 8.300 nan 0.000 0.541 540 H N 4.330 122.403 119.070 -1.662 0.000 2.895 540 H HA 0.482 5.038 4.556 0.001 0.000 0.373 540 H C -1.109 173.533 175.328 -1.144 0.000 1.174 540 H CA -0.867 54.425 56.048 -1.261 0.000 1.144 540 H CB 1.852 30.869 29.762 -1.241 0.000 1.793 540 H HN 0.347 nan 8.280 nan 0.000 0.551 541 V N 3.275 122.924 119.914 -0.442 0.000 2.398 541 V HA 0.273 4.394 4.120 0.002 0.000 0.286 541 V C 0.589 176.668 176.094 -0.025 0.000 1.026 541 V CA -0.943 61.211 62.300 -0.244 0.000 0.868 541 V CB 1.227 32.957 31.823 -0.155 0.000 0.982 541 V HN 0.548 nan 8.190 nan 0.000 0.443 542 R N 2.832 123.357 120.500 0.041 0.000 2.590 542 R HA 0.141 4.482 4.340 0.002 0.000 0.274 542 R C 0.311 176.605 176.300 -0.009 0.000 1.061 542 R CA -0.298 55.824 56.100 0.036 0.000 1.081 542 R CB 0.806 31.099 30.300 -0.011 0.000 0.984 542 R HN 0.735 nan 8.270 nan 0.000 0.448 543 E N 1.337 121.525 120.200 -0.021 0.000 1.858 543 E HA 0.133 4.484 4.350 0.002 0.000 0.278 543 E C -0.601 175.983 176.600 -0.025 0.000 1.172 543 E CA -0.216 56.169 56.400 -0.025 0.000 1.127 543 E CB -0.098 29.584 29.700 -0.031 0.000 1.084 543 E HN 0.714 nan 8.360 nan 0.000 0.455 544 G N 2.471 111.259 108.800 -0.020 0.000 2.768 544 G HA2 0.046 4.006 3.960 0.002 0.000 0.297 544 G HA3 0.046 4.006 3.960 0.002 0.000 0.297 544 G C -0.224 174.669 174.900 -0.011 0.000 1.430 544 G CA -0.737 44.353 45.100 -0.017 0.000 1.030 544 G HN 0.265 nan 8.290 nan 0.000 0.553 545 D N 0.422 120.817 120.400 -0.008 0.000 2.170 545 D HA -0.210 4.431 4.640 0.002 0.000 0.193 545 D C 1.847 178.146 176.300 -0.001 0.000 1.004 545 D CA 1.751 55.748 54.000 -0.005 0.000 0.860 545 D CB 0.306 41.104 40.800 -0.004 0.000 0.931 545 D HN 0.679 nan 8.370 nan 0.000 0.448 546 E N 0.144 120.344 120.200 -0.000 0.000 2.331 546 E HA -0.214 4.137 4.350 0.002 0.000 0.199 546 E C -0.112 176.492 176.600 0.007 0.000 1.008 546 E CA 0.461 56.864 56.400 0.005 0.000 0.843 546 E CB 0.102 29.806 29.700 0.006 0.000 0.761 546 E HN 0.088 nan 8.360 nan 0.000 0.507 547 Q N 0.194 119.995 119.800 0.002 0.000 2.459 547 Q HA -0.213 4.128 4.340 0.002 0.000 0.322 547 Q C -0.887 175.117 176.000 0.006 0.000 1.427 547 Q CA 0.962 56.766 55.803 0.002 0.000 0.861 547 Q CB -1.610 27.134 28.738 0.009 0.000 1.137 547 Q HN 0.397 nan 8.270 nan 0.000 0.394 548 R N 0.089 120.590 120.500 0.002 0.000 2.528 548 R HA 0.599 4.940 4.340 0.002 0.000 0.271 548 R C 0.857 177.150 176.300 -0.012 0.000 1.056 548 R CA 0.314 56.421 56.100 0.012 0.000 1.117 548 R CB 0.827 31.136 30.300 0.016 0.000 1.085 548 R HN 0.397 nan 8.270 nan 0.000 0.530 549 T N -1.085 113.460 114.554 -0.016 0.000 2.906 549 T HA 0.744 5.095 4.350 0.002 0.000 0.295 549 T C -0.721 173.948 174.700 -0.053 0.000 1.075 549 T CA -0.880 61.107 62.100 -0.188 0.000 1.005 549 T CB 1.380 70.082 68.868 -0.276 0.000 1.136 549 T HN 0.540 nan 8.240 nan 0.000 0.498 550 F N -1.052 118.578 119.950 -0.534 0.000 2.713 550 F HA 0.817 5.345 4.527 0.002 0.000 0.311 550 F C -2.540 172.882 175.800 -0.630 0.000 1.141 550 F CA -2.364 55.414 58.000 -0.370 0.000 0.939 550 F CB 0.941 39.810 39.000 -0.218 0.000 1.325 550 F HN 0.552 nan 8.300 nan 0.000 0.453 551 F N 1.308 121.005 119.950 -0.421 0.000 2.449 551 F HA 0.465 4.993 4.527 0.001 0.000 0.342 551 F C 0.530 175.995 175.800 -0.557 0.000 1.127 551 F CA -0.933 56.578 58.000 -0.815 0.000 0.975 551 F CB 2.289 40.342 39.000 -1.580 0.000 1.146 551 F HN 0.644 nan 8.300 nan 0.000 0.444 552 S N 3.336 118.907 115.700 -0.215 0.000 4.069 552 S HA 0.293 4.764 4.470 0.002 0.000 0.192 552 S C -0.217 174.441 174.600 0.096 0.000 1.441 552 S CA -0.512 57.721 58.200 0.055 0.000 0.994 552 S CB -1.380 61.926 63.200 0.178 0.000 1.456 552 S HN 0.438 nan 8.310 nan 0.000 0.458 553 F N 2.049 122.059 119.950 0.101 0.000 2.538 553 F HA 0.248 4.776 4.527 0.001 0.000 0.371 553 F C -1.810 173.987 175.800 -0.004 0.000 1.087 553 F CA -2.393 55.628 58.000 0.035 0.000 1.250 553 F CB 0.229 39.244 39.000 0.025 0.000 1.110 553 F HN 0.217 nan 8.300 nan 0.000 0.570 554 P HA -0.004 nan 4.420 nan 0.000 0.269 554 P C 0.053 177.404 177.300 0.084 0.000 1.209 554 P CA 0.156 63.314 63.100 0.097 0.000 0.776 554 P CB 0.970 32.700 31.700 0.050 0.000 0.876 555 A N 3.320 126.192 122.820 0.087 0.000 1.997 555 A HA -0.214 4.106 4.320 0.002 0.000 0.221 555 A C 1.820 179.464 177.584 0.100 0.000 1.172 555 A CA 2.511 54.615 52.037 0.111 0.000 0.645 555 A CB -1.789 17.334 19.000 0.205 0.000 0.813 555 A HN 0.534 nan 8.150 nan 0.000 0.454 556 V N -1.870 118.089 119.914 0.075 0.000 3.141 556 V HA -0.043 4.078 4.120 0.002 0.000 0.265 556 V C 1.882 177.988 176.094 0.020 0.000 1.126 556 V CA 1.697 64.032 62.300 0.058 0.000 1.141 556 V CB -0.874 30.979 31.823 0.050 0.000 0.743 556 V HN 0.754 nan 8.190 nan 0.000 0.492 557 V N -2.724 117.177 119.914 -0.022 0.000 3.572 557 V HA 0.661 4.782 4.120 0.002 0.000 0.260 557 V C 1.394 177.393 176.094 -0.159 0.000 1.324 557 V CA 0.009 62.242 62.300 -0.111 0.000 1.068 557 V CB -0.532 31.164 31.823 -0.213 0.000 0.837 557 V HN 0.553 nan 8.190 nan 0.000 0.450 558 A N 1.933 124.715 122.820 -0.064 0.000 2.561 558 A HA 0.347 4.668 4.320 0.002 0.000 0.234 558 A C -0.587 176.993 177.584 -0.007 0.000 1.055 558 A CA 0.082 52.117 52.037 -0.004 0.000 0.756 558 A CB -0.463 18.597 19.000 0.100 0.000 0.986 558 A HN 0.402 nan 8.150 nan 0.000 0.505 559 P HA -0.153 nan 4.420 nan 0.000 0.219 559 P C -0.020 177.389 177.300 0.182 0.000 1.158 559 P CA 2.144 65.273 63.100 0.049 0.000 0.895 559 P CB -0.128 31.573 31.700 0.001 0.000 0.792 560 F N -5.988 114.030 119.950 0.112 0.000 2.622 560 F HA 0.455 4.983 4.527 0.002 0.000 0.318 560 F C 0.652 176.541 175.800 0.147 0.000 1.135 560 F CA -1.364 56.705 58.000 0.115 0.000 1.015 560 F CB 0.541 39.599 39.000 0.097 0.000 1.275 560 F HN -0.424 nan 8.300 nan 0.000 0.457 561 K N 0.997 121.605 120.400 0.346 0.000 2.020 561 K HA -0.091 4.230 4.320 0.002 0.000 0.212 561 K C 0.343 177.172 176.600 0.381 0.000 1.050 561 K CA 1.888 58.357 56.287 0.303 0.000 0.929 561 K CB -0.191 32.500 32.500 0.319 0.000 0.714 561 K HN 0.613 nan 8.250 nan 0.000 0.443 562 C N 0.618 120.214 119.300 0.493 0.000 2.507 562 C HA 0.467 4.928 4.460 0.002 0.000 0.319 562 C C -0.397 174.930 174.990 0.562 0.000 1.208 562 C CA -0.686 58.616 59.018 0.473 0.000 1.619 562 C CB 1.626 29.578 27.740 0.352 0.000 2.230 562 C HN 0.348 nan 8.230 nan 0.000 0.492 563 S N 3.692 119.685 115.700 0.489 0.000 2.474 563 S HA 0.668 5.139 4.470 0.002 0.000 0.321 563 S C -0.972 173.815 174.600 0.312 0.000 1.080 563 S CA -0.411 58.071 58.200 0.470 0.000 1.106 563 S CB 0.781 64.284 63.200 0.506 0.000 0.984 563 S HN 0.688 nan 8.310 nan 0.000 0.464 564 V N 6.843 126.889 119.914 0.220 0.000 2.350 564 V HA 0.509 4.629 4.120 0.002 0.000 0.276 564 V C -0.510 175.640 176.094 0.092 0.000 1.028 564 V CA -0.702 61.691 62.300 0.156 0.000 0.860 564 V CB 0.513 32.420 31.823 0.142 0.000 0.990 564 V HN 0.785 nan 8.190 nan 0.000 0.453 565 L N 5.872 127.128 121.223 0.056 0.000 2.404 565 L HA 0.871 5.212 4.340 0.002 0.000 0.272 565 L C -2.800 174.063 176.870 -0.011 0.000 0.980 565 L CA -1.580 53.244 54.840 -0.026 0.000 0.836 565 L CB 2.022 43.979 42.059 -0.171 0.000 1.238 565 L HN 0.342 nan 8.230 nan 0.000 0.408 566 P HA 0.388 nan 4.420 nan 0.000 0.285 566 P C -0.056 177.166 177.300 -0.130 0.000 1.280 566 P CA -0.614 62.492 63.100 0.010 0.000 0.862 566 P CB 2.425 34.170 31.700 0.074 0.000 1.153 567 L N -0.187 120.893 121.223 -0.238 0.000 2.084 567 L HA 0.120 4.461 4.340 0.002 0.000 0.202 567 L C 1.610 178.189 176.870 -0.485 0.000 1.074 567 L CA 1.833 56.493 54.840 -0.300 0.000 0.757 567 L CB -1.051 40.874 42.059 -0.223 0.000 0.918 567 L HN 0.411 nan 8.230 nan 0.000 0.444 568 S N -1.865 113.194 115.700 -1.069 0.000 2.621 568 S HA 0.325 4.795 4.470 0.002 0.000 0.302 568 S C 0.330 174.515 174.600 -0.690 0.000 1.093 568 S CA -0.471 57.224 58.200 -0.840 0.000 1.017 568 S CB 1.652 64.303 63.200 -0.915 0.000 1.077 568 S HN 0.181 nan 8.310 nan 0.000 0.517 569 Q N 1.875 121.477 119.800 -0.330 0.000 2.247 569 Q HA 0.236 4.577 4.340 0.002 0.000 0.211 569 Q C 0.396 176.352 176.000 -0.074 0.000 0.861 569 Q CA 0.032 55.738 55.803 -0.162 0.000 0.949 569 Q CB -0.090 28.590 28.738 -0.096 0.000 1.115 569 Q HN 0.862 nan 8.270 nan 0.000 0.507 570 N N -0.670 117.980 118.700 -0.084 0.000 2.273 570 N HA -0.137 4.604 4.740 0.002 0.000 0.227 570 N C 0.138 175.705 175.510 0.095 0.000 1.292 570 N CA 0.016 53.077 53.050 0.019 0.000 0.875 570 N CB 0.402 38.915 38.487 0.044 0.000 1.105 570 N HN 0.120 nan 8.380 nan 0.000 0.434 571 Q N -0.336 119.519 119.800 0.092 0.000 2.561 571 Q HA -0.111 4.230 4.340 0.002 0.000 0.217 571 Q C 0.680 176.770 176.000 0.150 0.000 0.980 571 Q CA 0.690 56.555 55.803 0.102 0.000 0.927 571 Q CB 0.040 28.820 28.738 0.070 0.000 0.980 571 Q HN 0.604 nan 8.270 nan 0.000 0.525 572 E N -0.290 120.042 120.200 0.219 0.000 2.122 572 E HA -0.063 4.288 4.350 0.002 0.000 0.190 572 E C 1.322 178.093 176.600 0.284 0.000 0.977 572 E CA 0.842 57.395 56.400 0.255 0.000 0.820 572 E CB -0.026 29.859 29.700 0.308 0.000 0.770 572 E HN 0.350 nan 8.360 nan 0.000 0.462 573 F N 0.479 120.445 119.950 0.026 0.000 2.387 573 F HA 0.076 4.604 4.527 0.002 0.000 0.294 573 F C 2.238 178.124 175.800 0.143 0.000 1.093 573 F CA 0.323 58.336 58.000 0.021 0.000 1.420 573 F CB -0.390 38.544 39.000 -0.111 0.000 1.086 573 F HN -0.101 nan 8.300 nan 0.000 0.531 574 M N 0.346 120.110 119.600 0.274 0.000 2.103 574 M HA -0.194 4.287 4.480 0.002 0.000 0.255 574 M C -0.472 175.904 176.300 0.126 0.000 1.074 574 M CA 2.036 57.434 55.300 0.162 0.000 1.090 574 M CB -2.511 30.149 32.600 0.101 0.000 1.325 574 M HN -0.044 nan 8.290 nan 0.000 0.403 575 P HA -0.141 nan 4.420 nan 0.000 0.217 575 P C 1.359 178.553 177.300 -0.177 0.000 1.148 575 P CA 1.324 64.379 63.100 -0.075 0.000 0.828 575 P CB -0.176 31.424 31.700 -0.166 0.000 0.783 576 F N -1.724 118.178 119.950 -0.079 0.000 2.262 576 F HA -0.059 4.469 4.527 0.001 0.000 0.292 576 F C 2.319 178.097 175.800 -0.037 0.000 1.081 576 F CA 0.725 58.669 58.000 -0.093 0.000 1.355 576 F CB -1.465 37.443 39.000 -0.154 0.000 1.069 576 F HN -0.324 nan 8.300 nan 0.000 0.506 577 V N 0.705 120.742 119.914 0.206 0.000 2.343 577 V HA -0.314 3.807 4.120 0.002 0.000 0.247 577 V C 2.476 178.621 176.094 0.085 0.000 1.051 577 V CA 2.097 64.477 62.300 0.134 0.000 1.036 577 V CB -0.696 31.206 31.823 0.131 0.000 0.654 577 V HN 0.286 nan 8.190 nan 0.000 0.451 578 K N 0.353 120.791 120.400 0.063 0.000 2.009 578 K HA -0.296 4.025 4.320 0.002 0.000 0.210 578 K C 2.238 178.847 176.600 0.015 0.000 1.049 578 K CA 2.232 58.540 56.287 0.035 0.000 0.929 578 K CB -0.205 32.302 32.500 0.013 0.000 0.714 578 K HN 0.431 nan 8.250 nan 0.000 0.440 579 E N 1.057 121.246 120.200 -0.020 0.000 2.038 579 E HA -0.225 4.126 4.350 0.002 0.000 0.195 579 E C 1.979 178.569 176.600 -0.016 0.000 1.000 579 E CA 1.474 57.850 56.400 -0.040 0.000 0.803 579 E CB -0.507 29.133 29.700 -0.100 0.000 0.750 579 E HN 0.324 nan 8.360 nan 0.000 0.448 580 L N 0.330 121.553 121.223 0.001 0.000 2.012 580 L HA -0.164 4.177 4.340 0.002 0.000 0.210 580 L C 2.496 179.327 176.870 -0.066 0.000 1.073 580 L CA 2.443 57.276 54.840 -0.011 0.000 0.748 580 L CB -1.314 40.755 42.059 0.017 0.000 0.891 580 L HN 0.264 nan 8.230 nan 0.000 0.431 581 S N -0.744 114.939 115.700 -0.029 0.000 2.351 581 S HA -0.258 4.213 4.470 0.002 0.000 0.220 581 S C 1.893 176.502 174.600 0.014 0.000 1.035 581 S CA 1.791 59.986 58.200 -0.010 0.000 1.031 581 S CB -0.406 62.927 63.200 0.223 0.000 0.928 581 S HN 0.656 nan 8.310 nan 0.000 0.433 582 E N 0.820 121.047 120.200 0.045 0.000 2.077 582 E HA -0.102 4.249 4.350 0.002 0.000 0.193 582 E C 2.440 179.045 176.600 0.008 0.000 0.989 582 E CA 1.020 57.444 56.400 0.039 0.000 0.800 582 E CB -0.370 29.340 29.700 0.016 0.000 0.746 582 E HN 0.647 nan 8.360 nan 0.000 0.452 583 A N 1.355 124.171 122.820 -0.006 0.000 1.908 583 A HA -0.175 4.146 4.320 0.002 0.000 0.218 583 A C 2.213 179.846 177.584 0.082 0.000 1.181 583 A CA 1.135 53.185 52.037 0.022 0.000 0.627 583 A CB -0.668 18.361 19.000 0.049 0.000 0.818 583 A HN 0.139 nan 8.150 nan 0.000 0.445 584 L N -0.835 120.380 121.223 -0.012 0.000 2.083 584 L HA -0.153 4.188 4.340 0.002 0.000 0.209 584 L C 2.740 179.651 176.870 0.067 0.000 1.083 584 L CA 1.679 56.499 54.840 -0.033 0.000 0.752 584 L CB -0.748 41.059 42.059 -0.421 0.000 0.899 584 L HN 0.348 nan 8.230 nan 0.000 0.433 585 T N -0.772 113.833 114.554 0.085 0.000 2.821 585 T HA -0.141 4.210 4.350 0.002 0.000 0.267 585 T C 1.969 176.703 174.700 0.056 0.000 1.046 585 T CA 1.033 63.218 62.100 0.142 0.000 1.139 585 T CB -0.125 68.833 68.868 0.150 0.000 0.871 585 T HN 0.296 nan 8.240 nan 0.000 0.454 586 R N 0.260 120.747 120.500 -0.022 0.000 2.189 586 R HA -0.014 4.327 4.340 0.002 0.000 0.223 586 R C 1.642 177.832 176.300 -0.183 0.000 1.092 586 R CA 0.837 56.860 56.100 -0.127 0.000 0.989 586 R CB -0.155 30.010 30.300 -0.225 0.000 0.876 586 R HN 0.496 nan 8.270 nan 0.000 0.457 587 H N -0.565 118.520 119.070 0.024 0.000 2.529 587 H HA 0.132 4.689 4.556 0.001 0.000 0.277 587 H C 0.910 176.267 175.328 0.048 0.000 1.004 587 H CA 0.644 56.708 56.048 0.027 0.000 1.167 587 H CB 0.652 30.422 29.762 0.013 0.000 1.445 587 H HN 0.379 nan 8.280 nan 0.000 0.554 588 G N 1.455 110.340 108.800 0.141 0.000 2.323 588 G HA2 -0.260 3.701 3.960 0.002 0.000 0.292 588 G HA3 -0.260 3.701 3.960 0.002 0.000 0.292 588 G C -0.028 174.968 174.900 0.159 0.000 1.040 588 G CA 0.456 45.635 45.100 0.131 0.000 0.942 588 G HN 0.229 nan 8.290 nan 0.000 0.506 589 V N 1.540 121.568 119.914 0.190 0.000 2.313 589 V HA 0.528 4.649 4.120 0.002 0.000 0.278 589 V C 0.990 177.269 176.094 0.308 0.000 1.017 589 V CA -0.291 62.136 62.300 0.212 0.000 0.823 589 V CB 1.270 33.193 31.823 0.167 0.000 1.010 589 V HN 0.910 nan 8.190 nan 0.000 0.443 590 S N 5.554 121.423 115.700 0.281 0.000 2.552 590 S HA 0.347 4.818 4.470 0.002 0.000 0.289 590 S C -0.144 174.683 174.600 0.379 0.000 1.304 590 S CA -0.209 58.158 58.200 0.278 0.000 1.063 590 S CB 0.264 63.605 63.200 0.234 0.000 0.848 590 S HN 1.011 nan 8.310 nan 0.000 0.499 591 H N -0.375 118.729 119.070 0.055 0.000 2.948 591 H HA 0.630 5.187 4.556 0.001 0.000 0.315 591 H C -1.694 173.421 175.328 -0.356 0.000 1.360 591 H CA -1.228 54.800 56.048 -0.034 0.000 1.125 591 H CB 0.982 30.780 29.762 0.060 0.000 1.844 591 H HN 0.716 nan 8.280 nan 0.000 0.529 592 K N 1.235 121.372 120.400 -0.439 0.000 2.565 592 K HA 0.316 4.637 4.320 0.002 0.000 0.251 592 K C -1.200 175.312 176.600 -0.146 0.000 0.956 592 K CA -0.877 55.116 56.287 -0.491 0.000 0.809 592 K CB 3.524 35.474 32.500 -0.918 0.000 1.267 592 K HN 0.301 nan 8.250 nan 0.000 0.438 593 V N 2.723 122.596 119.914 -0.068 0.000 2.439 593 V HA -0.021 4.100 4.120 0.002 0.000 0.271 593 V C 0.246 176.329 176.094 -0.017 0.000 1.040 593 V CA -0.104 62.199 62.300 0.005 0.000 1.002 593 V CB 0.509 32.343 31.823 0.018 0.000 1.000 593 V HN 0.652 nan 8.190 nan 0.000 0.477 594 D N 3.914 124.315 120.400 0.001 0.000 2.390 594 D HA 0.092 4.733 4.640 0.002 0.000 0.249 594 D C 0.410 176.692 176.300 -0.030 0.000 1.144 594 D CA 0.032 54.026 54.000 -0.010 0.000 0.880 594 D CB 1.296 42.079 40.800 -0.028 0.000 1.182 594 D HN 0.567 nan 8.370 nan 0.000 0.451 595 D N 0.650 121.034 120.400 -0.027 0.000 2.473 595 D HA -0.027 4.614 4.640 0.002 0.000 0.242 595 D C 0.348 176.629 176.300 -0.032 0.000 1.106 595 D CA 0.065 54.045 54.000 -0.034 0.000 0.854 595 D CB -0.021 40.762 40.800 -0.027 0.000 1.192 595 D HN 0.487 nan 8.370 nan 0.000 0.503 596 S N 1.520 117.207 115.700 -0.020 0.000 2.558 596 S HA 0.027 4.498 4.470 0.002 0.000 0.297 596 S C 0.719 175.304 174.600 -0.024 0.000 1.283 596 S CA -0.367 57.825 58.200 -0.014 0.000 1.044 596 S CB 0.498 63.697 63.200 -0.002 0.000 0.789 596 S HN 0.183 nan 8.310 nan 0.000 0.500 597 S N 2.025 117.715 115.700 -0.017 0.000 2.632 597 S HA 0.789 5.260 4.470 0.002 0.000 0.267 597 S C 0.699 175.291 174.600 -0.013 0.000 1.276 597 S CA -0.206 57.984 58.200 -0.018 0.000 0.998 597 S CB 0.349 63.542 63.200 -0.011 0.000 0.953 597 S HN 2.451 nan 8.310 nan 0.000 0.547 598 G N 0.434 109.228 108.800 -0.011 0.000 2.497 598 G HA2 0.213 4.174 3.960 0.002 0.000 0.686 598 G HA3 0.213 4.174 3.960 0.002 0.000 0.686 598 G C -0.352 174.546 174.900 -0.003 0.000 1.288 598 G CA -0.511 44.587 45.100 -0.003 0.000 0.899 598 G HN 1.856 nan 8.290 nan 0.000 0.608 599 S N -0.362 115.344 115.700 0.011 0.000 2.579 599 S HA 0.405 4.876 4.470 0.002 0.000 0.275 599 S C 1.865 176.475 174.600 0.016 0.000 1.345 599 S CA 0.226 58.440 58.200 0.023 0.000 1.031 599 S CB 1.295 64.516 63.200 0.036 0.000 0.892 599 S HN 1.835 nan 8.310 nan 0.000 0.529 600 I N 1.834 122.421 120.570 0.029 0.000 2.181 600 I HA -0.193 3.978 4.170 0.002 0.000 0.247 600 I C 2.102 178.265 176.117 0.077 0.000 1.081 600 I CA 2.252 63.559 61.300 0.012 0.000 1.340 600 I CB -1.079 36.983 38.000 0.103 0.000 1.036 600 I HN 0.886 nan 8.210 nan 0.000 0.417 601 G N 0.386 109.260 108.800 0.125 0.000 2.422 601 G HA2 -0.303 3.658 3.960 0.002 0.000 0.218 601 G HA3 -0.303 3.658 3.960 0.002 0.000 0.218 601 G C 1.810 176.776 174.900 0.109 0.000 1.146 601 G CA 0.845 46.034 45.100 0.148 0.000 0.769 601 G HN 0.468 nan 8.290 nan 0.000 0.547 602 R N 0.022 120.558 120.500 0.060 0.000 2.153 602 R HA 0.052 4.393 4.340 0.002 0.000 0.218 602 R C 2.674 178.993 176.300 0.031 0.000 1.072 602 R CA 0.291 56.417 56.100 0.043 0.000 0.990 602 R CB -0.095 30.221 30.300 0.026 0.000 0.889 602 R HN 0.145 nan 8.270 nan 0.000 0.452 603 R N -0.232 120.260 120.500 -0.013 0.000 2.070 603 R HA -0.152 4.189 4.340 0.002 0.000 0.233 603 R C 1.980 178.250 176.300 -0.050 0.000 1.137 603 R CA 1.454 57.505 56.100 -0.082 0.000 0.945 603 R CB -0.908 29.262 30.300 -0.216 0.000 0.845 603 R HN 0.316 nan 8.270 nan 0.000 0.430 604 Y N 1.066 121.390 120.300 0.040 0.000 2.421 604 Y HA -0.044 4.507 4.550 0.002 0.000 0.292 604 Y C 2.465 178.373 175.900 0.014 0.000 1.136 604 Y CA 0.582 58.700 58.100 0.029 0.000 1.255 604 Y CB -0.683 37.782 38.460 0.009 0.000 0.991 604 Y HN 0.128 nan 8.280 nan 0.000 0.552 605 A N 0.108 123.022 122.820 0.157 0.000 1.908 605 A HA -0.233 4.088 4.320 0.002 0.000 0.218 605 A C 2.326 179.972 177.584 0.103 0.000 1.181 605 A CA 1.862 53.957 52.037 0.097 0.000 0.627 605 A CB -0.517 18.524 19.000 0.069 0.000 0.818 605 A HN 0.393 nan 8.150 nan 0.000 0.445 606 R N -1.449 119.112 120.500 0.101 0.000 2.090 606 R HA -0.048 4.293 4.340 0.002 0.000 0.228 606 R C 2.288 178.666 176.300 0.130 0.000 1.110 606 R CA 1.606 57.769 56.100 0.105 0.000 0.973 606 R CB -0.444 29.905 30.300 0.083 0.000 0.869 606 R HN 0.515 nan 8.270 nan 0.000 0.440 607 T N 0.914 115.557 114.554 0.147 0.000 2.746 607 T HA -0.123 4.228 4.350 0.002 0.000 0.267 607 T C 1.043 175.817 174.700 0.123 0.000 1.039 607 T CA 1.490 63.686 62.100 0.160 0.000 1.142 607 T CB -0.202 68.820 68.868 0.257 0.000 0.866 607 T HN 0.256 nan 8.240 nan 0.000 0.444 608 D N 1.010 121.484 120.400 0.124 0.000 2.144 608 D HA -0.068 4.572 4.640 0.002 0.000 0.200 608 D C 2.159 178.585 176.300 0.209 0.000 0.978 608 D CA 0.800 54.866 54.000 0.110 0.000 0.833 608 D CB -0.209 40.605 40.800 0.023 0.000 0.961 608 D HN 0.510 nan 8.370 nan 0.000 0.470 609 E N 0.520 120.846 120.200 0.210 0.000 2.097 609 E HA -0.158 4.193 4.350 0.002 0.000 0.196 609 E C 2.110 178.991 176.600 0.468 0.000 1.000 609 E CA 0.793 57.370 56.400 0.294 0.000 0.804 609 E CB -0.093 29.750 29.700 0.238 0.000 0.740 609 E HN 0.475 nan 8.360 nan 0.000 0.454 610 I N -3.472 117.304 120.570 0.344 0.000 3.810 610 I HA 0.323 4.494 4.170 0.002 0.000 0.322 610 I C 0.977 177.343 176.117 0.415 0.000 1.288 610 I CA 0.430 61.990 61.300 0.434 0.000 1.143 610 I CB 0.088 38.178 38.000 0.150 0.000 1.012 610 I HN 0.072 nan 8.210 nan 0.000 0.423 611 G N 1.872 110.840 108.800 0.281 0.000 2.176 611 G HA2 -0.223 3.738 3.960 0.002 0.000 0.252 611 G HA3 -0.223 3.738 3.960 0.002 0.000 0.252 611 G C 0.151 175.113 174.900 0.103 0.000 1.024 611 G CA 0.192 45.399 45.100 0.180 0.000 0.755 611 G HN 0.325 nan 8.290 nan 0.000 0.507 612 V N 0.482 120.367 119.914 -0.049 0.000 2.493 612 V HA 0.325 4.446 4.120 0.002 0.000 0.292 612 V C 1.978 177.979 176.094 -0.156 0.000 1.016 612 V CA 0.939 63.128 62.300 -0.185 0.000 1.097 612 V CB 0.568 32.246 31.823 -0.242 0.000 0.947 612 V HN 0.918 nan 8.190 nan 0.000 0.479 613 A N 5.087 127.767 122.820 -0.233 0.000 1.908 613 A HA 0.023 4.344 4.320 0.002 0.000 0.218 613 A C 0.624 177.574 177.584 -1.057 0.000 1.181 613 A CA 1.606 53.250 52.037 -0.656 0.000 0.627 613 A CB -0.181 18.388 19.000 -0.718 0.000 0.818 613 A HN 0.642 nan 8.150 nan 0.000 0.445 614 F N -3.175 116.796 119.950 0.035 0.000 2.664 614 F HA 0.647 5.175 4.527 0.001 0.000 0.317 614 F C 0.339 176.200 175.800 0.102 0.000 1.108 614 F CA -0.602 57.404 58.000 0.010 0.000 0.957 614 F CB 1.494 40.519 39.000 0.040 0.000 1.365 614 F HN 0.149 nan 8.300 nan 0.000 0.475 615 G N 0.047 109.022 108.800 0.292 0.000 2.706 615 G HA2 0.605 4.566 3.960 0.002 0.000 0.297 615 G HA3 0.605 4.566 3.960 0.002 0.000 0.297 615 G C -2.435 172.647 174.900 0.303 0.000 1.403 615 G CA -0.813 44.508 45.100 0.369 0.000 0.954 615 G HN 0.495 nan 8.290 nan 0.000 0.500 616 V N 1.348 121.443 119.914 0.301 0.000 2.407 616 V HA 0.472 4.593 4.120 0.002 0.000 0.291 616 V C 0.080 176.298 176.094 0.208 0.000 1.018 616 V CA -0.604 61.815 62.300 0.199 0.000 0.842 616 V CB 1.586 33.479 31.823 0.117 0.000 0.996 616 V HN 0.773 nan 8.190 nan 0.000 0.426 617 T N 6.702 121.376 114.554 0.200 0.000 2.771 617 T HA 0.576 4.927 4.350 0.002 0.000 0.291 617 T C -0.036 174.701 174.700 0.063 0.000 0.954 617 T CA 0.057 62.254 62.100 0.163 0.000 1.045 617 T CB 0.518 69.519 68.868 0.221 0.000 0.917 617 T HN 0.408 nan 8.240 nan 0.000 0.484 618 I N 4.577 125.181 120.570 0.057 0.000 2.428 618 I HA 0.267 4.438 4.170 0.002 0.000 0.279 618 I C -0.039 176.102 176.117 0.040 0.000 1.040 618 I CA -0.860 60.438 61.300 -0.004 0.000 1.171 618 I CB 0.815 38.826 38.000 0.019 0.000 1.312 618 I HN 0.681 nan 8.210 nan 0.000 0.470 619 D N 4.125 124.505 120.400 -0.033 0.000 2.567 619 D HA 0.294 4.935 4.640 0.002 0.000 0.275 619 D C 0.721 176.894 176.300 -0.212 0.000 1.195 619 D CA -0.492 53.522 54.000 0.023 0.000 1.087 619 D CB 0.482 41.384 40.800 0.169 0.000 1.165 619 D HN 0.208 nan 8.370 nan 0.000 0.609 620 F N -0.537 119.451 119.950 0.065 0.000 2.234 620 F HA 0.039 4.567 4.527 0.001 0.000 0.299 620 F C 1.533 177.252 175.800 -0.134 0.000 1.087 620 F CA 0.795 58.764 58.000 -0.051 0.000 1.340 620 F CB -0.636 38.415 39.000 0.084 0.000 1.031 620 F HN 0.206 nan 8.300 nan 0.000 0.500 621 D N -0.874 119.588 120.400 0.104 0.000 2.378 621 D HA -0.083 4.558 4.640 0.002 0.000 0.222 621 D C 1.906 178.166 176.300 -0.066 0.000 0.980 621 D CA 1.093 55.112 54.000 0.032 0.000 0.907 621 D CB -0.264 40.572 40.800 0.059 0.000 0.899 621 D HN 0.200 nan 8.370 nan 0.000 0.527 622 T N -1.080 113.355 114.554 -0.198 0.000 3.010 622 T HA 0.017 4.368 4.350 0.002 0.000 0.252 622 T C 2.048 176.454 174.700 -0.490 0.000 1.047 622 T CA 0.251 62.174 62.100 -0.294 0.000 1.140 622 T CB 0.206 68.823 68.868 -0.418 0.000 0.885 622 T HN -0.007 nan 8.240 nan 0.000 0.464 623 V N 2.286 121.757 119.914 -0.738 0.000 2.500 623 V HA 0.014 4.135 4.120 0.002 0.000 0.243 623 V C 2.176 178.199 176.094 -0.118 0.000 1.039 623 V CA 1.063 62.873 62.300 -0.816 0.000 1.053 623 V CB -0.341 30.880 31.823 -1.003 0.000 0.695 623 V HN 0.408 nan 8.190 nan 0.000 0.463 624 N N -0.191 118.480 118.700 -0.049 0.000 2.336 624 N HA 0.035 4.776 4.740 0.002 0.000 0.177 624 N C 0.932 176.478 175.510 0.060 0.000 1.018 624 N CA 0.416 53.501 53.050 0.059 0.000 0.878 624 N CB 0.144 38.674 38.487 0.073 0.000 0.997 624 N HN 0.311 nan 8.380 nan 0.000 0.433 625 K N 0.405 120.818 120.400 0.021 0.000 2.120 625 K HA 0.261 4.582 4.320 0.002 0.000 0.245 625 K C -0.070 176.428 176.600 -0.171 0.000 1.024 625 K CA 0.073 56.340 56.287 -0.034 0.000 0.906 625 K CB 0.762 33.247 32.500 -0.026 0.000 1.051 625 K HN -0.106 nan 8.250 nan 0.000 0.491 626 T N 1.465 115.893 114.554 -0.210 0.000 3.193 626 T HA 0.454 4.805 4.350 0.002 0.000 0.332 626 T C -2.595 171.996 174.700 -0.182 0.000 1.208 626 T CA -1.532 60.347 62.100 -0.368 0.000 1.080 626 T CB 0.592 69.251 68.868 -0.349 0.000 1.180 626 T HN 0.361 nan 8.240 nan 0.000 0.469 627 P HA 0.242 nan 4.420 nan 0.000 0.268 627 P C -0.618 176.554 177.300 -0.214 0.000 1.208 627 P CA -0.267 62.720 63.100 -0.189 0.000 0.777 627 P CB 0.233 31.898 31.700 -0.058 0.000 0.875 628 H N 0.853 119.956 119.070 0.055 0.000 3.015 628 H HA 0.199 4.756 4.556 0.002 0.000 0.268 628 H C 0.511 175.853 175.328 0.023 0.000 1.113 628 H CA 0.133 56.222 56.048 0.067 0.000 1.479 628 H CB -0.237 29.671 29.762 0.243 0.000 1.493 628 H HN 0.406 nan 8.280 nan 0.000 0.486 629 T N 0.383 114.962 114.554 0.042 0.000 2.918 629 T HA 0.791 5.141 4.350 0.002 0.000 0.286 629 T C 0.118 174.770 174.700 -0.080 0.000 1.026 629 T CA -0.987 61.101 62.100 -0.020 0.000 1.031 629 T CB 2.407 71.242 68.868 -0.055 0.000 1.046 629 T HN 0.590 nan 8.240 nan 0.000 0.479 630 A N 1.341 124.102 122.820 -0.100 0.000 2.435 630 A HA 0.825 5.146 4.320 0.002 0.000 0.296 630 A C -0.059 177.416 177.584 -0.181 0.000 1.147 630 A CA -0.991 50.972 52.037 -0.124 0.000 0.775 630 A CB 1.271 20.240 19.000 -0.052 0.000 1.340 630 A HN 0.860 nan 8.150 nan 0.000 0.427 631 T N 1.253 115.710 114.554 -0.161 0.000 2.795 631 T HA 0.491 4.842 4.350 0.002 0.000 0.282 631 T C -0.673 174.042 174.700 0.024 0.000 0.980 631 T CA -0.087 61.927 62.100 -0.144 0.000 1.012 631 T CB 0.754 69.542 68.868 -0.133 0.000 0.936 631 T HN 0.522 nan 8.240 nan 0.000 0.457 632 L N 3.725 124.986 121.223 0.064 0.000 2.295 632 L HA 0.654 4.995 4.340 0.002 0.000 0.285 632 L C -0.071 176.951 176.870 0.253 0.000 1.035 632 L CA -0.513 54.419 54.840 0.152 0.000 0.806 632 L CB 1.042 43.180 42.059 0.131 0.000 1.214 632 L HN 0.581 nan 8.230 nan 0.000 0.426 633 R N 2.937 123.518 120.500 0.135 0.000 2.513 633 R HA 0.371 4.712 4.340 0.002 0.000 0.301 633 R C -1.355 174.792 176.300 -0.255 0.000 0.968 633 R CA -0.661 55.398 56.100 -0.070 0.000 0.872 633 R CB 1.258 31.347 30.300 -0.353 0.000 1.177 633 R HN 0.747 nan 8.270 nan 0.000 0.444 634 D N 2.385 122.389 120.400 -0.660 0.000 2.277 634 D HA 0.086 4.726 4.640 0.002 0.000 0.249 634 D C 1.182 177.132 176.300 -0.584 0.000 1.134 634 D CA -0.206 53.264 54.000 -0.884 0.000 0.863 634 D CB 1.209 40.912 40.800 -1.830 0.000 1.143 634 D HN 0.542 nan 8.370 nan 0.000 0.458 635 R N 3.257 123.455 120.500 -0.502 0.000 2.082 635 R HA -0.175 4.166 4.340 0.002 0.000 0.234 635 R C 0.690 176.682 176.300 -0.512 0.000 1.136 635 R CA 1.748 57.583 56.100 -0.442 0.000 0.935 635 R CB -0.141 29.949 30.300 -0.350 0.000 0.842 635 R HN 0.594 nan 8.270 nan 0.000 0.430 636 D N 0.182 120.336 120.400 -0.410 0.000 2.092 636 D HA -0.149 4.491 4.640 0.002 0.000 0.193 636 D C 1.960 178.022 176.300 -0.398 0.000 0.994 636 D CA 2.138 55.931 54.000 -0.346 0.000 0.828 636 D CB -0.297 40.430 40.800 -0.122 0.000 0.963 636 D HN 0.416 nan 8.370 nan 0.000 0.450 637 S N -0.476 115.011 115.700 -0.355 0.000 2.470 637 S HA -0.006 4.465 4.470 0.002 0.000 0.225 637 S C 1.491 175.938 174.600 -0.255 0.000 1.006 637 S CA 0.516 58.561 58.200 -0.258 0.000 0.934 637 S CB 0.083 63.175 63.200 -0.180 0.000 0.778 637 S HN 0.292 nan 8.310 nan 0.000 0.517 638 M N -0.904 118.491 119.600 -0.341 0.000 2.931 638 M HA -0.201 4.280 4.480 0.002 0.000 0.190 638 M C -0.061 176.148 176.300 -0.151 0.000 0.626 638 M CA 0.780 55.910 55.300 -0.282 0.000 0.722 638 M CB -1.392 31.062 32.600 -0.244 0.000 2.597 638 M HN 0.379 nan 8.290 nan 0.000 0.299 639 R N 1.259 121.713 120.500 -0.077 0.000 2.641 639 R HA 0.406 4.747 4.340 0.002 0.000 0.269 639 R C 0.243 176.711 176.300 0.280 0.000 1.074 639 R CA 0.193 56.379 56.100 0.143 0.000 1.133 639 R CB 0.552 31.051 30.300 0.332 0.000 1.029 639 R HN 0.337 nan 8.270 nan 0.000 0.488 640 Q N 0.937 120.937 119.800 0.333 0.000 2.445 640 Q HA 0.564 4.905 4.340 0.002 0.000 0.281 640 Q C -0.720 175.511 176.000 0.385 0.000 1.101 640 Q CA -0.983 55.058 55.803 0.396 0.000 0.833 640 Q CB 2.177 31.122 28.738 0.345 0.000 1.416 640 Q HN 0.291 nan 8.270 nan 0.000 0.451 641 I N 0.568 121.320 120.570 0.303 0.000 2.994 641 I HA 0.439 4.610 4.170 0.002 0.000 0.306 641 I C -1.243 174.902 176.117 0.047 0.000 1.195 641 I CA -0.661 60.722 61.300 0.138 0.000 1.001 641 I CB 2.430 40.404 38.000 -0.043 0.000 1.244 641 I HN 0.544 nan 8.210 nan 0.000 0.437 642 R N 3.027 123.534 120.500 0.013 0.000 2.451 642 R HA 0.831 5.172 4.340 0.002 0.000 0.307 642 R C -1.412 174.858 176.300 -0.050 0.000 0.965 642 R CA -0.327 55.708 56.100 -0.108 0.000 0.865 642 R CB 1.546 31.771 30.300 -0.126 0.000 1.174 642 R HN 0.764 nan 8.270 nan 0.000 0.455 643 A N 2.565 125.318 122.820 -0.110 0.000 2.594 643 A HA 0.434 4.755 4.320 0.002 0.000 0.291 643 A C -1.193 176.354 177.584 -0.060 0.000 1.105 643 A CA -0.792 51.199 52.037 -0.078 0.000 0.694 643 A CB 1.257 20.052 19.000 -0.342 0.000 1.291 643 A HN 0.711 nan 8.150 nan 0.000 0.410 644 E N 0.613 120.812 120.200 -0.003 0.000 2.465 644 E HA 0.020 4.371 4.350 0.002 0.000 0.260 644 E C 0.645 177.247 176.600 0.004 0.000 0.980 644 E CA -0.029 56.383 56.400 0.020 0.000 0.927 644 E CB 0.426 30.154 29.700 0.046 0.000 0.934 644 E HN 0.573 nan 8.360 nan 0.000 0.459 645 I N 3.721 124.315 120.570 0.041 0.000 2.800 645 I HA -0.281 3.890 4.170 0.002 0.000 0.266 645 I C 1.865 177.998 176.117 0.027 0.000 1.249 645 I CA 1.483 62.807 61.300 0.039 0.000 1.458 645 I CB 0.037 38.104 38.000 0.112 0.000 1.093 645 I HN 0.457 nan 8.210 nan 0.000 0.466 646 S N -1.324 114.395 115.700 0.031 0.000 2.501 646 S HA 0.012 4.483 4.470 0.002 0.000 0.220 646 S C 1.627 176.233 174.600 0.011 0.000 0.997 646 S CA 0.179 58.393 58.200 0.023 0.000 0.919 646 S CB -0.027 63.191 63.200 0.030 0.000 0.778 646 S HN 0.542 nan 8.310 nan 0.000 0.523 647 E N 0.827 121.020 120.200 -0.011 0.000 2.340 647 E HA 0.253 4.604 4.350 0.002 0.000 0.194 647 E C 1.712 178.246 176.600 -0.111 0.000 0.996 647 E CA 0.113 56.492 56.400 -0.035 0.000 0.869 647 E CB -0.122 29.577 29.700 -0.001 0.000 0.835 647 E HN 0.439 nan 8.360 nan 0.000 0.493 648 L N 1.145 122.291 121.223 -0.129 0.000 2.043 648 L HA -0.181 4.160 4.340 0.002 0.000 0.212 648 L C -0.726 176.046 176.870 -0.164 0.000 1.075 648 L CA 1.488 56.229 54.840 -0.165 0.000 0.752 648 L CB -1.431 40.560 42.059 -0.114 0.000 0.891 648 L HN 0.112 nan 8.230 nan 0.000 0.432 649 P HA -0.221 nan 4.420 nan 0.000 0.215 649 P C 1.875 178.897 177.300 -0.462 0.000 1.163 649 P CA 2.189 65.174 63.100 -0.192 0.000 0.894 649 P CB -0.068 31.624 31.700 -0.014 0.000 0.791 650 S N -1.536 113.862 115.700 -0.504 0.000 2.428 650 S HA -0.091 4.380 4.470 0.002 0.000 0.230 650 S C 1.970 176.414 174.600 -0.261 0.000 1.014 650 S CA 0.890 58.797 58.200 -0.488 0.000 0.957 650 S CB -1.549 61.497 63.200 -0.256 0.000 0.784 650 S HN 0.046 nan 8.310 nan 0.000 0.499 651 I N 1.384 121.822 120.570 -0.219 0.000 2.202 651 I HA -0.116 4.055 4.170 0.002 0.000 0.242 651 I C 2.465 178.451 176.117 -0.220 0.000 1.091 651 I CA 1.023 62.207 61.300 -0.193 0.000 1.368 651 I CB -0.515 37.327 38.000 -0.263 0.000 1.058 651 I HN 0.201 nan 8.210 nan 0.000 0.410 652 V N 0.579 120.348 119.914 -0.242 0.000 2.343 652 V HA -0.335 3.786 4.120 0.002 0.000 0.247 652 V C 2.497 178.481 176.094 -0.183 0.000 1.051 652 V CA 2.065 64.198 62.300 -0.279 0.000 1.036 652 V CB -0.813 30.915 31.823 -0.158 0.000 0.654 652 V HN 0.522 nan 8.190 nan 0.000 0.451 653 Q N -0.100 119.612 119.800 -0.146 0.000 2.045 653 Q HA -0.289 4.052 4.340 0.002 0.000 0.206 653 Q C 1.992 177.971 176.000 -0.035 0.000 0.991 653 Q CA 2.330 58.092 55.803 -0.068 0.000 0.851 653 Q CB -0.199 28.468 28.738 -0.119 0.000 0.911 653 Q HN 0.642 nan 8.270 nan 0.000 0.418 654 D N 0.183 120.543 120.400 -0.067 0.000 2.178 654 D HA -0.116 4.525 4.640 0.002 0.000 0.202 654 D C 2.046 178.341 176.300 -0.008 0.000 0.974 654 D CA 0.777 54.762 54.000 -0.025 0.000 0.841 654 D CB -0.046 40.737 40.800 -0.029 0.000 0.953 654 D HN 0.331 nan 8.370 nan 0.000 0.478 655 L N 0.724 121.902 121.223 -0.076 0.000 2.056 655 L HA -0.128 4.213 4.340 0.002 0.000 0.207 655 L C 2.543 179.484 176.870 0.118 0.000 1.078 655 L CA 1.087 55.889 54.840 -0.063 0.000 0.749 655 L CB -0.267 41.518 42.059 -0.456 0.000 0.901 655 L HN -0.027 nan 8.230 nan 0.000 0.433 656 A N -0.127 122.771 122.820 0.131 0.000 1.930 656 A HA -0.146 4.175 4.320 0.002 0.000 0.215 656 A C 1.796 179.485 177.584 0.175 0.000 1.176 656 A CA 1.400 53.604 52.037 0.278 0.000 0.632 656 A CB -0.627 18.541 19.000 0.280 0.000 0.819 656 A HN 0.514 nan 8.150 nan 0.000 0.445 657 N N -0.535 118.234 118.700 0.115 0.000 2.449 657 N HA 0.220 4.961 4.740 0.002 0.000 0.191 657 N C 0.867 176.428 175.510 0.086 0.000 1.161 657 N CA 0.292 53.398 53.050 0.092 0.000 0.863 657 N CB 0.050 38.579 38.487 0.071 0.000 0.980 657 N HN 0.594 nan 8.380 nan 0.000 0.458 658 G N 1.324 110.185 108.800 0.102 0.000 2.179 658 G HA2 -0.334 3.627 3.960 0.002 0.000 0.257 658 G HA3 -0.334 3.627 3.960 0.002 0.000 0.257 658 G C 0.466 175.409 174.900 0.072 0.000 1.010 658 G CA 0.359 45.517 45.100 0.095 0.000 0.736 658 G HN 0.519 nan 8.290 nan 0.000 0.513 659 N N -1.128 117.607 118.700 0.058 0.000 2.422 659 N HA 0.327 5.068 4.740 0.002 0.000 0.181 659 N C 0.116 175.650 175.510 0.039 0.000 1.080 659 N CA 0.235 53.311 53.050 0.043 0.000 0.893 659 N CB 0.463 38.969 38.487 0.032 0.000 0.973 659 N HN 0.428 nan 8.380 nan 0.000 0.456 660 I N -0.384 120.215 120.570 0.048 0.000 2.802 660 I HA 0.146 4.317 4.170 0.002 0.000 0.298 660 I C -0.575 175.592 176.117 0.083 0.000 1.176 660 I CA -0.399 60.929 61.300 0.046 0.000 1.025 660 I CB 2.381 40.394 38.000 0.022 0.000 1.243 660 I HN -0.256 nan 8.210 nan 0.000 0.424 661 T N 4.334 118.938 114.554 0.085 0.000 2.928 661 T HA 0.082 4.433 4.350 0.002 0.000 0.284 661 T C 0.715 175.517 174.700 0.170 0.000 1.008 661 T CA -0.148 62.036 62.100 0.139 0.000 1.057 661 T CB 1.199 70.133 68.868 0.110 0.000 1.018 661 T HN 0.692 nan 8.240 nan 0.000 0.493 662 W N 1.685 123.027 121.300 0.069 0.000 2.392 662 W HA -0.132 4.529 4.660 0.001 0.000 0.279 662 W C 1.802 178.355 176.519 0.055 0.000 1.225 662 W CA 1.132 58.518 57.345 0.069 0.000 1.233 662 W CB -0.187 29.335 29.460 0.103 0.000 1.122 662 W HN 0.847 nan 8.180 nan 0.000 0.561 663 A N 0.792 123.642 122.820 0.051 0.000 1.855 663 A HA -0.236 4.085 4.320 0.002 0.000 0.215 663 A C 1.746 179.261 177.584 -0.114 0.000 1.191 663 A CA 1.917 53.928 52.037 -0.043 0.000 0.613 663 A CB -1.158 17.863 19.000 0.035 0.000 0.829 663 A HN 0.219 nan 8.150 nan 0.000 0.442 664 D N -0.008 120.356 120.400 -0.061 0.000 2.116 664 D HA -0.151 4.490 4.640 0.002 0.000 0.193 664 D C 2.108 178.345 176.300 -0.105 0.000 0.998 664 D CA 1.757 55.719 54.000 -0.062 0.000 0.836 664 D CB -0.467 40.322 40.800 -0.019 0.000 0.951 664 D HN 0.225 nan 8.370 nan 0.000 0.449 665 V N 1.519 121.329 119.914 -0.173 0.000 2.287 665 V HA -0.247 3.874 4.120 0.002 0.000 0.248 665 V C 2.233 178.197 176.094 -0.218 0.000 1.053 665 V CA 1.772 63.953 62.300 -0.199 0.000 1.027 665 V CB -0.520 30.981 31.823 -0.537 0.000 0.646 665 V HN 0.212 nan 8.190 nan 0.000 0.447 666 E N -0.215 119.738 120.200 -0.412 0.000 2.409 666 E HA -0.100 4.251 4.350 0.002 0.000 0.198 666 E C 2.103 178.616 176.600 -0.146 0.000 1.024 666 E CA 0.923 57.154 56.400 -0.283 0.000 0.861 666 E CB -0.164 29.356 29.700 -0.300 0.000 0.788 666 E HN 0.643 nan 8.360 nan 0.000 0.521 667 A N 0.838 123.576 122.820 -0.137 0.000 1.984 667 A HA -0.006 4.315 4.320 0.002 0.000 0.214 667 A C 1.968 179.461 177.584 -0.151 0.000 1.173 667 A CA 0.443 52.412 52.037 -0.113 0.000 0.673 667 A CB 0.114 19.058 19.000 -0.094 0.000 0.830 667 A HN 0.029 nan 8.150 nan 0.000 0.453 668 R N -1.898 118.472 120.500 -0.215 0.000 2.105 668 R HA 0.155 4.496 4.340 0.002 0.000 0.214 668 R C -0.309 175.644 176.300 -0.578 0.000 1.091 668 R CA 0.485 56.320 56.100 -0.441 0.000 1.007 668 R CB -0.109 29.799 30.300 -0.653 0.000 0.912 668 R HN 0.527 nan 8.270 nan 0.000 0.450 669 Y N 1.503 121.736 120.300 -0.111 0.000 2.419 669 Y HA 0.318 4.869 4.550 0.002 0.000 0.328 669 Y C -2.012 173.844 175.900 -0.073 0.000 1.162 669 Y CA -3.479 54.567 58.100 -0.090 0.000 1.174 669 Y CB 0.367 38.764 38.460 -0.105 0.000 1.228 669 Y HN -0.060 nan 8.280 nan 0.000 0.473 670 P HA 0.071 nan 4.420 nan 0.000 0.271 670 P C -0.576 176.792 177.300 0.113 0.000 1.220 670 P CA 0.096 63.246 63.100 0.083 0.000 0.768 670 P CB 0.766 32.519 31.700 0.088 0.000 0.848 671 L N 3.350 124.628 121.223 0.091 0.000 2.482 671 L HA 0.222 4.563 4.340 0.002 0.000 0.273 671 L C 0.615 177.617 176.870 0.221 0.000 1.228 671 L CA 0.245 55.156 54.840 0.119 0.000 0.827 671 L CB -0.342 41.759 42.059 0.070 0.000 1.099 671 L HN 0.359 nan 8.230 nan 0.000 0.494 672 F N 1.427 121.409 119.950 0.054 0.000 2.671 672 F HA 0.364 4.892 4.527 0.001 0.000 0.332 672 F C -0.134 175.702 175.800 0.061 0.000 1.189 672 F CA -0.645 57.389 58.000 0.056 0.000 0.988 672 F CB 1.265 40.303 39.000 0.064 0.000 1.258 672 F HN 0.426 nan 8.300 nan 0.000 0.471 673 E N 0.000 119.947 120.200 -0.421 0.000 2.725 673 E HA 0.000 4.351 4.350 0.002 0.000 0.291 673 E CA 0.000 56.212 56.400 -0.312 0.000 0.976 673 E CB 0.000 29.589 29.700 -0.185 0.000 0.812 673 E HN 0.000 nan 8.360 nan 0.000 0.440