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 2zxf_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 0.000 176.088 176.117 -0.049 0.000 1.063 64 I CA 0.000 61.265 61.300 -0.058 0.000 1.566 64 I CB 0.000 37.971 38.000 -0.048 0.000 1.214 65 V N 3.382 123.262 119.914 -0.056 0.000 3.019 65 V HA 0.779 4.899 4.120 0.001 0.000 0.317 65 V C -1.191 174.833 176.094 -0.116 0.000 1.094 65 V CA -0.278 61.976 62.300 -0.077 0.000 1.000 65 V CB 2.446 34.231 31.823 -0.062 0.000 1.060 65 V HN 0.792 nan 8.190 nan 0.000 0.443 66 D N 2.999 123.278 120.400 -0.202 0.000 2.477 66 D HA 0.312 4.952 4.640 0.001 0.000 0.239 66 D C 1.025 177.178 176.300 -0.245 0.000 1.102 66 D CA -0.263 53.617 54.000 -0.200 0.000 0.901 66 D CB 0.970 41.661 40.800 -0.181 0.000 1.026 66 D HN 0.541 nan 8.370 nan 0.000 0.515 67 R N 3.100 123.517 120.500 -0.138 0.000 2.113 67 R HA -0.257 4.083 4.340 0.001 0.000 0.244 67 R C 1.767 178.014 176.300 -0.088 0.000 1.142 67 R CA 1.914 57.969 56.100 -0.074 0.000 0.953 67 R CB -0.185 30.112 30.300 -0.005 0.000 0.860 67 R HN 0.541 nan 8.270 nan 0.000 0.438 68 A N 1.297 124.065 122.820 -0.086 0.000 1.848 68 A HA -0.288 4.033 4.320 0.001 0.000 0.217 68 A C 2.052 179.584 177.584 -0.086 0.000 1.220 68 A CA 2.006 54.005 52.037 -0.064 0.000 0.645 68 A CB -0.831 18.136 19.000 -0.056 0.000 0.842 68 A HN 0.433 nan 8.150 nan 0.000 0.451 69 K N -1.227 119.100 120.400 -0.122 0.000 2.442 69 K HA -0.140 4.180 4.320 0.001 0.000 0.200 69 K C 1.876 178.386 176.600 -0.151 0.000 1.045 69 K CA 1.614 57.837 56.287 -0.106 0.000 0.937 69 K CB -0.183 32.266 32.500 -0.085 0.000 0.757 69 K HN 0.667 nan 8.250 nan 0.000 0.474 70 M N -0.358 119.053 119.600 -0.314 0.000 2.738 70 M HA -0.040 4.441 4.480 0.001 0.000 0.256 70 M C 1.333 177.608 176.300 -0.042 0.000 1.253 70 M CA 0.831 55.967 55.300 -0.275 0.000 1.223 70 M CB 0.266 32.507 32.600 -0.599 0.000 1.263 70 M HN 0.025 nan 8.290 nan 0.000 0.521 71 E N 0.809 120.996 120.200 -0.023 0.000 2.233 71 E HA -0.257 4.094 4.350 0.001 0.000 0.199 71 E C 1.147 177.734 176.600 -0.020 0.000 1.004 71 E CA 1.833 58.252 56.400 0.031 0.000 0.819 71 E CB -0.207 29.538 29.700 0.074 0.000 0.738 71 E HN 0.620 nan 8.360 nan 0.000 0.478 72 D N -0.321 120.073 120.400 -0.010 0.000 2.084 72 D HA -0.079 4.562 4.640 0.001 0.000 0.199 72 D C 1.941 178.260 176.300 0.031 0.000 0.981 72 D CA 1.592 55.594 54.000 0.003 0.000 0.841 72 D CB -0.157 40.647 40.800 0.005 0.000 0.997 72 D HN -0.016 nan 8.370 nan 0.000 0.454 73 T N 0.819 115.412 114.554 0.064 0.000 2.737 73 T HA -0.139 4.212 4.350 0.001 0.000 0.269 73 T C 1.987 176.772 174.700 0.142 0.000 1.040 73 T CA 0.669 62.831 62.100 0.104 0.000 1.142 73 T CB -0.295 68.650 68.868 0.128 0.000 0.861 73 T HN 0.071 nan 8.240 nan 0.000 0.456 74 L N 0.511 121.783 121.223 0.081 0.000 1.948 74 L HA -0.120 4.220 4.340 0.001 0.000 0.212 74 L C 2.724 179.657 176.870 0.105 0.000 1.074 74 L CA 1.599 56.453 54.840 0.023 0.000 0.753 74 L CB -0.476 41.490 42.059 -0.154 0.000 0.888 74 L HN 0.194 nan 8.230 nan 0.000 0.432 75 K N -0.257 120.096 120.400 -0.080 0.000 2.127 75 K HA -0.275 4.046 4.320 0.001 0.000 0.208 75 K C 2.161 178.809 176.600 0.081 0.000 1.047 75 K CA 1.698 57.951 56.287 -0.057 0.000 0.927 75 K CB -0.324 32.099 32.500 -0.128 0.000 0.716 75 K HN 0.241 nan 8.250 nan 0.000 0.450 76 R N 0.868 121.416 120.500 0.080 0.000 2.115 76 R HA -0.042 4.299 4.340 0.001 0.000 0.226 76 R C 1.292 177.675 176.300 0.139 0.000 1.100 76 R CA 0.929 57.078 56.100 0.081 0.000 0.980 76 R CB 0.243 30.580 30.300 0.062 0.000 0.875 76 R HN -0.069 nan 8.270 nan 0.000 0.445 77 R N 0.412 121.051 120.500 0.231 0.000 2.449 77 R HA 0.020 4.361 4.340 0.001 0.000 0.262 77 R C -0.347 176.134 176.300 0.302 0.000 1.006 77 R CA -0.446 55.816 56.100 0.269 0.000 1.104 77 R CB -0.863 29.663 30.300 0.376 0.000 1.206 77 R HN 0.190 nan 8.270 nan 0.000 0.538 78 F N 0.362 120.368 119.950 0.093 0.000 2.694 78 F HA -0.324 4.204 4.527 0.001 0.000 0.215 78 F C 0.056 175.899 175.800 0.071 0.000 1.032 78 F CA -0.420 57.614 58.000 0.055 0.000 0.871 78 F CB -1.442 37.568 39.000 0.017 0.000 0.776 78 F HN 0.070 nan 8.300 nan 0.000 0.850 79 F N 0.616 120.599 119.950 0.055 0.000 2.164 79 F HA 0.102 4.629 4.527 0.001 0.000 0.287 79 F C 1.026 176.808 175.800 -0.030 0.000 1.086 79 F CA 1.797 59.836 58.000 0.065 0.000 1.249 79 F CB -0.086 38.974 39.000 0.101 0.000 1.059 79 F HN 0.236 nan 8.300 nan 0.000 0.490 80 Y N -1.959 118.328 120.300 -0.023 0.000 2.625 80 Y HA 0.682 5.233 4.550 0.001 0.000 0.338 80 Y C -1.750 174.171 175.900 0.035 0.000 1.123 80 Y CA -2.070 55.844 58.100 -0.310 0.000 1.046 80 Y CB 1.204 39.293 38.460 -0.618 0.000 1.299 80 Y HN -0.155 nan 8.280 nan 0.000 0.464 81 D N 0.042 120.484 120.400 0.069 0.000 2.694 81 D HA 0.193 4.834 4.640 0.001 0.000 0.260 81 D C -1.626 174.740 176.300 0.111 0.000 1.250 81 D CA -0.640 53.416 54.000 0.093 0.000 0.763 81 D CB 2.277 43.216 40.800 0.231 0.000 1.311 81 D HN 0.787 nan 8.370 nan 0.000 0.420 82 Q N 0.556 120.333 119.800 -0.039 0.000 2.315 82 Q HA 0.450 4.790 4.340 0.001 0.000 0.289 82 Q C -0.190 175.723 176.000 -0.146 0.000 1.044 82 Q CA 0.057 55.696 55.803 -0.272 0.000 0.920 82 Q CB 0.821 29.425 28.738 -0.223 0.000 1.214 82 Q HN 0.433 nan 8.270 nan 0.000 0.392 83 A N 2.559 125.260 122.820 -0.199 0.000 2.346 83 A HA 0.325 4.645 4.320 0.001 0.000 0.252 83 A C -0.464 177.017 177.584 -0.172 0.000 1.089 83 A CA -0.462 51.386 52.037 -0.315 0.000 0.797 83 A CB -0.072 18.658 19.000 -0.450 0.000 1.047 83 A HN 0.792 nan 8.150 nan 0.000 0.494 84 F N -1.137 118.800 119.950 -0.021 0.000 2.594 84 F HA -0.266 4.262 4.527 0.001 0.000 0.208 84 F C 1.503 177.339 175.800 0.059 0.000 1.032 84 F CA 0.374 58.357 58.000 -0.028 0.000 0.877 84 F CB -1.954 36.978 39.000 -0.113 0.000 0.814 84 F HN 0.729 nan 8.300 nan 0.000 0.844 85 A N 2.382 125.282 122.820 0.134 0.000 1.832 85 A HA -0.073 4.248 4.320 0.001 0.000 0.214 85 A C 1.868 179.552 177.584 0.168 0.000 1.200 85 A CA 1.376 53.475 52.037 0.104 0.000 0.610 85 A CB -0.577 18.443 19.000 0.033 0.000 0.842 85 A HN 0.833 nan 8.150 nan 0.000 0.444 86 I N -4.386 116.306 120.570 0.203 0.000 3.421 86 I HA -0.004 4.167 4.170 0.001 0.000 0.321 86 I C 0.366 176.615 176.117 0.219 0.000 1.159 86 I CA 1.064 62.471 61.300 0.180 0.000 1.207 86 I CB -0.628 37.469 38.000 0.163 0.000 0.988 86 I HN 0.306 nan 8.210 nan 0.000 0.569 87 Y N 0.488 120.832 120.300 0.074 0.000 2.795 87 Y HA 0.383 4.933 4.550 0.001 0.000 0.274 87 Y C 1.579 177.508 175.900 0.049 0.000 1.035 87 Y CA -0.063 58.076 58.100 0.066 0.000 1.252 87 Y CB 1.003 39.520 38.460 0.095 0.000 1.399 87 Y HN 0.273 nan 8.280 nan 0.000 0.579 88 G N -0.186 108.723 108.800 0.181 0.000 2.424 88 G HA2 0.115 4.075 3.960 0.001 0.000 0.207 88 G HA3 0.115 4.075 3.960 0.001 0.000 0.207 88 G C 0.566 175.530 174.900 0.106 0.000 1.061 88 G CA -0.028 45.138 45.100 0.110 0.000 0.657 88 G HN 1.176 nan 8.290 nan 0.000 0.508 89 G N -0.835 108.060 108.800 0.158 0.000 3.439 89 G HA2 0.274 4.235 3.960 0.001 0.000 0.684 89 G HA3 0.274 4.235 3.960 0.001 0.000 0.684 89 G C -0.196 174.763 174.900 0.097 0.000 1.005 89 G CA 0.065 45.250 45.100 0.141 0.000 0.837 89 G HN 1.537 nan 8.290 nan 0.000 0.470 90 V N 3.352 123.355 119.914 0.148 0.000 2.521 90 V HA 0.467 4.588 4.120 0.001 0.000 0.286 90 V C 1.504 177.645 176.094 0.077 0.000 1.034 90 V CA 0.353 62.708 62.300 0.091 0.000 1.045 90 V CB 1.079 32.953 31.823 0.085 0.000 0.974 90 V HN 1.592 nan 8.190 nan 0.000 0.480 91 S N 3.841 119.587 115.700 0.077 0.000 2.584 91 S HA 0.478 4.948 4.470 0.001 0.000 0.270 91 S C 1.312 176.031 174.600 0.198 0.000 1.346 91 S CA 0.137 58.402 58.200 0.109 0.000 1.018 91 S CB 1.058 64.337 63.200 0.131 0.000 0.899 91 S HN 2.166 nan 8.310 nan 0.000 0.542 92 G N 0.594 109.603 108.800 0.349 0.000 2.184 92 G HA2 -0.214 3.746 3.960 0.001 0.000 0.264 92 G HA3 -0.214 3.746 3.960 0.001 0.000 0.264 92 G C -0.150 175.004 174.900 0.424 0.000 0.975 92 G CA 0.412 45.741 45.100 0.381 0.000 0.642 92 G HN 0.828 nan 8.290 nan 0.000 0.536 93 L N 0.122 121.542 121.223 0.327 0.000 2.343 93 L HA 0.687 5.027 4.340 0.001 0.000 0.278 93 L C -0.631 176.296 176.870 0.095 0.000 0.996 93 L CA -1.116 53.897 54.840 0.288 0.000 0.831 93 L CB 1.321 43.549 42.059 0.282 0.000 1.232 93 L HN 0.093 nan 8.230 nan 0.000 0.413 94 Y N 0.797 121.185 120.300 0.147 0.000 2.576 94 Y HA 0.487 5.038 4.550 0.001 0.000 0.346 94 Y C -0.180 175.748 175.900 0.046 0.000 1.018 94 Y CA -1.120 57.032 58.100 0.088 0.000 1.050 94 Y CB 1.884 40.408 38.460 0.106 0.000 1.280 94 Y HN 0.424 nan 8.280 nan 0.000 0.474 95 D N 0.685 121.139 120.400 0.090 0.000 2.299 95 D HA 0.400 5.040 4.640 0.001 0.000 0.243 95 D C -1.396 174.797 176.300 -0.178 0.000 0.982 95 D CA -0.285 53.756 54.000 0.069 0.000 0.924 95 D CB 1.791 42.624 40.800 0.055 0.000 1.238 95 D HN 0.208 nan 8.370 nan 0.000 0.484 96 F N 0.617 120.529 119.950 -0.062 0.000 2.375 96 F HA 0.383 4.910 4.527 0.001 0.000 0.361 96 F C 1.240 176.762 175.800 -0.463 0.000 1.117 96 F CA -0.709 57.190 58.000 -0.168 0.000 1.037 96 F CB 1.408 40.375 39.000 -0.054 0.000 1.192 96 F HN 0.242 nan 8.300 nan 0.000 0.452 97 G N 3.629 111.845 108.800 -0.973 0.000 2.527 97 G HA2 0.142 4.103 3.960 0.001 0.000 0.279 97 G HA3 0.142 4.103 3.960 0.001 0.000 0.279 97 G C -1.816 172.867 174.900 -0.361 0.000 1.374 97 G CA -0.662 43.651 45.100 -1.311 0.000 1.053 97 G HN 0.389 nan 8.290 nan 0.000 0.539 98 P HA -0.052 nan 4.420 nan 0.000 0.213 98 P C 2.248 179.500 177.300 -0.080 0.000 1.170 98 P CA 1.950 65.020 63.100 -0.049 0.000 0.889 98 P CB -0.236 31.480 31.700 0.027 0.000 0.782 99 V N -2.523 117.303 119.914 -0.148 0.000 3.026 99 V HA -0.067 4.053 4.120 0.001 0.000 0.265 99 V C 1.947 177.864 176.094 -0.295 0.000 1.121 99 V CA 2.204 64.357 62.300 -0.245 0.000 1.142 99 V CB -1.921 29.628 31.823 -0.457 0.000 0.730 99 V HN 0.095 nan 8.190 nan 0.000 0.503 100 G N -1.067 107.621 108.800 -0.186 0.000 2.408 100 G HA2 -0.168 3.793 3.960 0.001 0.000 0.213 100 G HA3 -0.168 3.793 3.960 0.001 0.000 0.213 100 G C 1.580 176.562 174.900 0.137 0.000 1.177 100 G CA 1.043 46.231 45.100 0.147 0.000 0.802 100 G HN 0.534 nan 8.290 nan 0.000 0.533 101 C N 1.116 120.447 119.300 0.051 0.000 2.413 101 C HA 0.086 4.546 4.460 0.001 0.000 0.276 101 C C 3.549 178.530 174.990 -0.015 0.000 1.236 101 C CA 1.102 60.121 59.018 0.002 0.000 1.735 101 C CB -0.890 26.843 27.740 -0.012 0.000 2.031 101 C HN 0.553 nan 8.230 nan 0.000 0.474 102 A N -0.326 122.493 122.820 -0.002 0.000 1.940 102 A HA -0.171 4.149 4.320 0.001 0.000 0.219 102 A C 2.034 179.623 177.584 0.009 0.000 1.176 102 A CA 1.896 53.943 52.037 0.015 0.000 0.631 102 A CB -0.555 18.477 19.000 0.054 0.000 0.814 102 A HN 0.566 nan 8.150 nan 0.000 0.446 103 L N -0.507 120.722 121.223 0.009 0.000 2.068 103 L HA 0.006 4.347 4.340 0.001 0.000 0.204 103 L C 2.298 179.110 176.870 -0.095 0.000 1.076 103 L CA 2.401 57.219 54.840 -0.037 0.000 0.753 103 L CB -0.431 41.636 42.059 0.013 0.000 0.910 103 L HN 0.383 nan 8.230 nan 0.000 0.439 104 K N -0.516 119.834 120.400 -0.083 0.000 2.103 104 K HA -0.186 4.135 4.320 0.001 0.000 0.207 104 K C 1.668 178.188 176.600 -0.133 0.000 1.048 104 K CA 1.698 57.889 56.287 -0.161 0.000 0.930 104 K CB -0.065 32.287 32.500 -0.247 0.000 0.716 104 K HN 0.458 nan 8.250 nan 0.000 0.444 105 N N 0.617 119.264 118.700 -0.089 0.000 2.300 105 N HA -0.104 4.636 4.740 0.001 0.000 0.179 105 N C 1.091 176.579 175.510 -0.038 0.000 1.016 105 N CA 0.963 53.975 53.050 -0.064 0.000 0.876 105 N CB -0.380 38.081 38.487 -0.043 0.000 0.979 105 N HN 0.358 nan 8.380 nan 0.000 0.432 106 N N 0.604 119.282 118.700 -0.036 0.000 2.396 106 N HA 0.105 4.845 4.740 0.001 0.000 0.180 106 N C 1.484 176.986 175.510 -0.014 0.000 1.028 106 N CA 0.192 53.231 53.050 -0.018 0.000 0.893 106 N CB 0.231 38.707 38.487 -0.019 0.000 0.967 106 N HN 0.184 nan 8.380 nan 0.000 0.440 107 I N 0.784 121.329 120.570 -0.041 0.000 2.480 107 I HA -0.110 4.060 4.170 0.001 0.000 0.251 107 I C 1.685 177.878 176.117 0.127 0.000 1.124 107 I CA 0.786 62.092 61.300 0.010 0.000 1.444 107 I CB 0.106 38.053 38.000 -0.089 0.000 1.098 107 I HN 0.087 nan 8.210 nan 0.000 0.428 108 I N -0.054 120.533 120.570 0.029 0.000 2.928 108 I HA -0.169 4.002 4.170 0.001 0.000 0.266 108 I C 2.220 178.391 176.117 0.090 0.000 1.234 108 I CA 0.597 61.914 61.300 0.027 0.000 1.483 108 I CB -0.201 37.750 38.000 -0.081 0.000 1.097 108 I HN 0.206 nan 8.210 nan 0.000 0.455 109 Q N 0.614 120.452 119.800 0.064 0.000 2.398 109 Q HA -0.027 4.314 4.340 0.001 0.000 0.204 109 Q C 1.896 177.934 176.000 0.063 0.000 0.932 109 Q CA 1.217 57.052 55.803 0.054 0.000 0.916 109 Q CB -0.014 28.741 28.738 0.028 0.000 1.024 109 Q HN 0.331 nan 8.270 nan 0.000 0.504 110 T N -1.388 113.229 114.554 0.104 0.000 2.866 110 T HA -0.074 4.276 4.350 0.001 0.000 0.250 110 T C 0.907 175.632 174.700 0.041 0.000 1.033 110 T CA 0.665 62.826 62.100 0.102 0.000 1.145 110 T CB -0.535 68.443 68.868 0.184 0.000 0.866 110 T HN 0.505 nan 8.240 nan 0.000 0.434 111 W N 2.594 123.811 121.300 -0.139 0.000 2.341 111 W HA -0.110 4.551 4.660 0.001 0.000 0.283 111 W C 2.277 178.609 176.519 -0.311 0.000 1.215 111 W CA 1.019 58.027 57.345 -0.562 0.000 1.211 111 W CB -0.070 29.064 29.460 -0.544 0.000 1.131 111 W HN 0.100 nan 8.180 nan 0.000 0.552 112 R N -0.629 119.921 120.500 0.084 0.000 2.073 112 R HA -0.160 4.180 4.340 0.001 0.000 0.229 112 R C 2.388 178.605 176.300 -0.137 0.000 1.120 112 R CA 1.383 57.501 56.100 0.028 0.000 0.967 112 R CB -0.286 30.062 30.300 0.081 0.000 0.862 112 R HN 0.169 nan 8.270 nan 0.000 0.436 113 Q N -0.202 119.518 119.800 -0.133 0.000 1.916 113 Q HA -0.174 4.166 4.340 0.001 0.000 0.203 113 Q C 1.926 177.755 176.000 -0.286 0.000 0.983 113 Q CA 1.579 57.296 55.803 -0.143 0.000 0.846 113 Q CB -1.074 27.617 28.738 -0.078 0.000 0.909 113 Q HN 0.388 nan 8.270 nan 0.000 0.427 114 H N -0.828 117.925 119.070 -0.528 0.000 2.486 114 H HA -0.209 4.347 4.556 0.001 0.000 0.289 114 H C 0.961 175.544 175.328 -1.242 0.000 1.129 114 H CA 2.138 57.648 56.048 -0.896 0.000 1.166 114 H CB -0.052 28.991 29.762 -1.198 0.000 1.346 114 H HN 0.218 nan 8.280 nan 0.000 0.509 115 F N -2.831 116.739 119.950 -0.633 0.000 2.102 115 F HA 0.164 4.692 4.527 0.001 0.000 0.254 115 F C 2.075 177.595 175.800 -0.467 0.000 0.975 115 F CA -0.046 57.524 58.000 -0.717 0.000 1.176 115 F CB -0.010 38.216 39.000 -1.290 0.000 1.358 115 F HN -0.123 nan 8.300 nan 0.000 0.728 116 I N 0.494 120.919 120.570 -0.242 0.000 2.286 116 I HA -0.245 3.926 4.170 0.001 0.000 0.248 116 I C 2.290 178.369 176.117 -0.064 0.000 1.115 116 I CA 1.295 62.532 61.300 -0.105 0.000 1.392 116 I CB -0.341 37.635 38.000 -0.040 0.000 1.065 116 I HN 0.271 nan 8.210 nan 0.000 0.418 117 Q N 1.393 121.136 119.800 -0.095 0.000 1.922 117 Q HA -0.214 4.127 4.340 0.001 0.000 0.201 117 Q C 2.023 177.995 176.000 -0.046 0.000 0.979 117 Q CA 1.782 57.550 55.803 -0.059 0.000 0.841 117 Q CB -0.280 28.416 28.738 -0.071 0.000 0.903 117 Q HN 0.256 nan 8.270 nan 0.000 0.431 118 E N 0.341 120.489 120.200 -0.087 0.000 2.065 118 E HA -0.198 4.153 4.350 0.001 0.000 0.201 118 E C 0.720 177.333 176.600 0.022 0.000 1.016 118 E CA 1.844 58.211 56.400 -0.054 0.000 0.818 118 E CB -0.078 29.543 29.700 -0.132 0.000 0.749 118 E HN 0.385 nan 8.360 nan 0.000 0.453 119 E N 0.703 120.929 120.200 0.044 0.000 2.368 119 E HA 0.009 4.360 4.350 0.001 0.000 0.188 119 E C -0.268 176.403 176.600 0.118 0.000 1.061 119 E CA -0.044 56.439 56.400 0.137 0.000 0.933 119 E CB 0.238 30.074 29.700 0.226 0.000 1.091 119 E HN 0.229 nan 8.360 nan 0.000 0.458 120 Q N 0.132 119.976 119.800 0.073 0.000 2.423 120 Q HA -0.208 4.133 4.340 0.001 0.000 0.332 120 Q C -0.042 176.011 176.000 0.088 0.000 1.355 120 Q CA 0.744 56.593 55.803 0.078 0.000 0.947 120 Q CB -2.300 26.494 28.738 0.093 0.000 1.189 120 Q HN 0.519 nan 8.270 nan 0.000 0.418 121 I N 0.958 121.562 120.570 0.056 0.000 2.452 121 I HA 0.033 4.204 4.170 0.001 0.000 0.287 121 I C 1.112 177.255 176.117 0.043 0.000 1.079 121 I CA -0.387 60.939 61.300 0.043 0.000 1.387 121 I CB 0.428 38.423 38.000 -0.008 0.000 1.404 121 I HN 0.143 nan 8.210 nan 0.000 0.522 122 L N 7.199 128.455 121.223 0.056 0.000 2.433 122 L HA 0.106 4.446 4.340 0.001 0.000 0.275 122 L C 0.646 177.499 176.870 -0.029 0.000 1.128 122 L CA 0.338 55.191 54.840 0.022 0.000 0.875 122 L CB 0.143 42.221 42.059 0.031 0.000 1.171 122 L HN 0.642 nan 8.230 nan 0.000 0.463 123 E N 5.958 126.135 120.200 -0.038 0.000 2.242 123 E HA 0.696 5.046 4.350 0.001 0.000 0.275 123 E C -0.922 175.627 176.600 -0.084 0.000 1.002 123 E CA -0.701 55.672 56.400 -0.045 0.000 0.841 123 E CB 1.517 31.209 29.700 -0.015 0.000 1.109 123 E HN 0.545 nan 8.360 nan 0.000 0.394 124 I N -0.348 120.172 120.570 -0.083 0.000 2.918 124 I HA 0.494 4.664 4.170 0.001 0.000 0.301 124 I C -1.610 174.460 176.117 -0.078 0.000 1.312 124 I CA -1.100 60.144 61.300 -0.093 0.000 1.007 124 I CB 2.359 40.291 38.000 -0.113 0.000 1.281 124 I HN 0.337 nan 8.210 nan 0.000 0.440 125 D N 4.163 124.522 120.400 -0.069 0.000 2.453 125 D HA 0.524 5.164 4.640 0.001 0.000 0.238 125 D C -0.895 175.370 176.300 -0.058 0.000 1.088 125 D CA 0.087 54.049 54.000 -0.063 0.000 0.854 125 D CB 1.331 42.100 40.800 -0.052 0.000 1.076 125 D HN 0.706 nan 8.370 nan 0.000 0.533 126 C N 1.805 121.068 119.300 -0.063 0.000 2.362 126 C HA 0.601 5.062 4.460 0.001 0.000 0.363 126 C C 0.959 175.925 174.990 -0.040 0.000 1.220 126 C CA -0.679 58.307 59.018 -0.053 0.000 2.379 126 C CB 0.807 28.509 27.740 -0.063 0.000 2.351 126 C HN 0.704 nan 8.230 nan 0.000 0.582 127 T N 0.273 114.808 114.554 -0.031 0.000 2.802 127 T HA 0.184 4.534 4.350 0.001 0.000 0.305 127 T C 0.681 175.369 174.700 -0.019 0.000 1.053 127 T CA -0.104 61.982 62.100 -0.023 0.000 1.058 127 T CB 0.406 69.261 68.868 -0.021 0.000 0.988 127 T HN 0.633 nan 8.240 nan 0.000 0.539 128 M N -0.051 119.539 119.600 -0.016 0.000 2.567 128 M HA 0.285 4.766 4.480 0.001 0.000 0.261 128 M C 0.388 176.644 176.300 -0.073 0.000 1.180 128 M CA 0.312 55.606 55.300 -0.011 0.000 1.143 128 M CB 0.205 32.833 32.600 0.048 0.000 1.319 128 M HN 0.441 nan 8.290 nan 0.000 0.490 129 L N 1.782 122.957 121.223 -0.079 0.000 2.385 129 L HA 0.134 4.475 4.340 0.001 0.000 0.281 129 L C -0.465 176.386 176.870 -0.031 0.000 1.106 129 L CA 0.025 54.815 54.840 -0.084 0.000 0.856 129 L CB 0.384 42.397 42.059 -0.077 0.000 1.186 129 L HN 0.071 nan 8.230 nan 0.000 0.453 130 T N 4.915 119.468 114.554 -0.002 0.000 2.823 130 T HA 0.419 4.769 4.350 0.001 0.000 0.279 130 T C -2.502 172.245 174.700 0.079 0.000 0.998 130 T CA -1.332 60.797 62.100 0.048 0.000 0.994 130 T CB 1.814 70.729 68.868 0.079 0.000 0.960 130 T HN 0.350 nan 8.240 nan 0.000 0.448 131 P HA 0.255 nan 4.420 nan 0.000 0.293 131 P C 0.743 178.134 177.300 0.151 0.000 1.300 131 P CA -0.299 62.850 63.100 0.081 0.000 0.792 131 P CB 1.466 33.203 31.700 0.061 0.000 0.925 132 E N 4.844 125.148 120.200 0.173 0.000 2.330 132 E HA -0.265 4.085 4.350 0.001 0.000 0.239 132 E C -0.939 175.808 176.600 0.245 0.000 1.097 132 E CA 2.890 59.479 56.400 0.315 0.000 1.031 132 E CB -1.559 28.253 29.700 0.186 0.000 0.885 132 E HN 0.380 nan 8.360 nan 0.000 0.479 133 P HA -0.195 nan 4.420 nan 0.000 0.217 133 P C 1.346 178.730 177.300 0.140 0.000 1.151 133 P CA 1.739 64.915 63.100 0.127 0.000 0.849 133 P CB 0.043 31.802 31.700 0.099 0.000 0.787 134 V N -1.352 118.661 119.914 0.164 0.000 2.453 134 V HA -0.162 3.959 4.120 0.001 0.000 0.247 134 V C 2.221 178.455 176.094 0.232 0.000 1.048 134 V CA 1.501 63.929 62.300 0.214 0.000 1.049 134 V CB -0.962 30.963 31.823 0.170 0.000 0.672 134 V HN 0.098 nan 8.190 nan 0.000 0.457 135 L N -0.311 121.015 121.223 0.170 0.000 2.509 135 L HA 0.027 4.368 4.340 0.001 0.000 0.222 135 L C 2.310 179.247 176.870 0.111 0.000 1.123 135 L CA 0.573 55.481 54.840 0.112 0.000 0.856 135 L CB -0.180 41.864 42.059 -0.025 0.000 0.985 135 L HN 0.234 nan 8.230 nan 0.000 0.456 136 K N -0.222 120.245 120.400 0.111 0.000 2.098 136 K HA -0.045 4.275 4.320 0.001 0.000 0.203 136 K C 1.894 178.513 176.600 0.033 0.000 1.051 136 K CA 1.527 57.858 56.287 0.074 0.000 0.957 136 K CB -0.275 32.279 32.500 0.090 0.000 0.738 136 K HN -0.014 nan 8.250 nan 0.000 0.447 137 T N 0.242 114.800 114.554 0.008 0.000 2.821 137 T HA -0.107 4.243 4.350 0.001 0.000 0.267 137 T C 1.733 176.306 174.700 -0.212 0.000 1.046 137 T CA 1.567 63.588 62.100 -0.132 0.000 1.139 137 T CB -0.360 68.371 68.868 -0.228 0.000 0.871 137 T HN 0.502 nan 8.240 nan 0.000 0.454 138 S N 0.520 116.190 115.700 -0.051 0.000 2.453 138 S HA 0.247 4.718 4.470 0.001 0.000 0.231 138 S C 1.794 176.589 174.600 0.326 0.000 1.005 138 S CA 0.703 58.999 58.200 0.159 0.000 0.949 138 S CB -0.390 63.133 63.200 0.539 0.000 0.774 138 S HN 0.748 nan 8.310 nan 0.000 0.510 139 G N 0.461 109.336 108.800 0.124 0.000 2.142 139 G HA2 -0.225 3.735 3.960 0.001 0.000 0.225 139 G HA3 -0.225 3.735 3.960 0.001 0.000 0.225 139 G C 0.177 174.803 174.900 -0.456 0.000 1.015 139 G CA 0.421 45.464 45.100 -0.095 0.000 0.716 139 G HN 0.614 nan 8.290 nan 0.000 0.508 140 H N -0.685 118.267 119.070 -0.197 0.000 2.399 140 H HA 0.206 4.762 4.556 0.001 0.000 0.300 140 H C 2.690 177.927 175.328 -0.153 0.000 1.048 140 H CA 1.427 57.376 56.048 -0.166 0.000 1.370 140 H CB 0.100 29.839 29.762 -0.037 0.000 1.428 140 H HN 0.281 nan 8.280 nan 0.000 0.534 141 V N 1.217 121.099 119.914 -0.055 0.000 2.636 141 V HA -0.266 3.854 4.120 0.001 0.000 0.258 141 V C 1.067 177.121 176.094 -0.066 0.000 1.092 141 V CA 1.935 64.177 62.300 -0.096 0.000 1.110 141 V CB -0.340 31.481 31.823 -0.004 0.000 0.685 141 V HN 0.464 nan 8.190 nan 0.000 0.481 142 D N -0.083 120.256 120.400 -0.102 0.000 2.435 142 D HA 0.035 4.676 4.640 0.001 0.000 0.257 142 D C 1.894 178.118 176.300 -0.127 0.000 1.290 142 D CA 0.492 54.429 54.000 -0.105 0.000 0.994 142 D CB -0.379 40.354 40.800 -0.111 0.000 1.014 142 D HN 0.183 nan 8.370 nan 0.000 0.378 143 K N -0.176 120.092 120.400 -0.219 0.000 2.555 143 K HA 0.099 4.420 4.320 0.001 0.000 0.193 143 K C -0.096 176.461 176.600 -0.072 0.000 1.032 143 K CA -0.119 56.068 56.287 -0.168 0.000 1.004 143 K CB -0.294 32.099 32.500 -0.179 0.000 0.804 143 K HN 0.026 nan 8.250 nan 0.000 0.496 144 F N 1.202 120.997 119.950 -0.259 0.000 2.368 144 F HA 0.518 5.046 4.527 0.001 0.000 0.362 144 F C 0.014 175.719 175.800 -0.159 0.000 1.137 144 F CA -1.355 56.546 58.000 -0.164 0.000 1.161 144 F CB -0.297 38.670 39.000 -0.055 0.000 1.265 144 F HN 0.034 nan 8.300 nan 0.000 0.530 145 A N 4.019 126.590 122.820 -0.416 0.000 2.415 145 A HA 0.534 4.855 4.320 0.001 0.000 0.294 145 A C -1.905 175.437 177.584 -0.404 0.000 1.019 145 A CA -0.897 50.844 52.037 -0.494 0.000 0.603 145 A CB 0.741 19.537 19.000 -0.341 0.000 1.382 145 A HN 0.362 nan 8.150 nan 0.000 0.483 146 D N -0.319 119.904 120.400 -0.295 0.000 2.575 146 D HA 0.622 5.262 4.640 0.001 0.000 0.236 146 D C -1.150 175.084 176.300 -0.111 0.000 1.075 146 D CA 0.017 53.859 54.000 -0.263 0.000 0.860 146 D CB 1.181 41.895 40.800 -0.143 0.000 1.475 146 D HN 0.354 nan 8.370 nan 0.000 0.474 147 F N 1.860 121.788 119.950 -0.036 0.000 2.472 147 F HA 0.205 4.732 4.527 0.001 0.000 0.364 147 F C 0.924 176.705 175.800 -0.030 0.000 1.090 147 F CA -0.370 57.607 58.000 -0.038 0.000 1.188 147 F CB 0.684 39.646 39.000 -0.063 0.000 1.105 147 F HN -0.026 nan 8.300 nan 0.000 0.536 148 M N 7.171 126.887 119.600 0.194 0.000 2.190 148 M HA 0.554 5.034 4.480 0.001 0.000 0.312 148 M C -1.160 175.146 176.300 0.011 0.000 0.990 148 M CA -0.617 54.730 55.300 0.078 0.000 0.927 148 M CB 1.415 34.018 32.600 0.004 0.000 1.571 148 M HN 0.464 nan 8.290 nan 0.000 0.427 149 V N 2.606 122.536 119.914 0.025 0.000 3.602 149 V HA 0.814 4.934 4.120 0.001 0.000 0.285 149 V C -1.026 175.113 176.094 0.076 0.000 1.187 149 V CA -0.420 61.877 62.300 -0.005 0.000 0.940 149 V CB 1.617 33.422 31.823 -0.029 0.000 1.250 149 V HN 1.038 nan 8.190 nan 0.000 0.455 150 K N 0.004 120.479 120.400 0.125 0.000 2.806 150 K HA 0.184 4.504 4.320 0.001 0.000 0.293 150 K C -1.948 174.728 176.600 0.127 0.000 1.135 150 K CA -0.426 55.935 56.287 0.124 0.000 0.960 150 K CB 0.499 32.993 32.500 -0.011 0.000 1.374 150 K HN 0.913 nan 8.250 nan 0.000 0.400 151 D N 2.603 123.105 120.400 0.170 0.000 2.383 151 D HA 0.034 4.674 4.640 0.001 0.000 0.252 151 D C 1.023 177.366 176.300 0.071 0.000 1.166 151 D CA -0.445 53.632 54.000 0.128 0.000 0.879 151 D CB 1.388 42.279 40.800 0.150 0.000 1.164 151 D HN 0.326 nan 8.370 nan 0.000 0.462 152 V N 2.050 121.996 119.914 0.054 0.000 3.398 152 V HA -0.212 3.908 4.120 0.001 0.000 0.275 152 V C 1.922 178.033 176.094 0.028 0.000 1.207 152 V CA 1.034 63.353 62.300 0.032 0.000 1.189 152 V CB -1.030 30.809 31.823 0.027 0.000 0.838 152 V HN 0.458 nan 8.190 nan 0.000 0.546 153 K N 1.756 122.177 120.400 0.036 0.000 2.017 153 K HA 0.093 4.413 4.320 0.001 0.000 0.207 153 K C 0.872 177.485 176.600 0.021 0.000 1.035 153 K CA 1.152 57.457 56.287 0.030 0.000 0.947 153 K CB -0.204 32.320 32.500 0.039 0.000 0.749 153 K HN 0.809 nan 8.250 nan 0.000 0.443 154 N N -1.941 116.772 118.700 0.022 0.000 2.380 154 N HA 0.343 5.084 4.740 0.001 0.000 0.290 154 N C 1.121 176.624 175.510 -0.012 0.000 1.236 154 N CA -0.283 52.770 53.050 0.005 0.000 0.780 154 N CB 1.687 40.177 38.487 0.005 0.000 1.438 154 N HN -0.053 nan 8.380 nan 0.000 0.491 155 G N 0.357 109.136 108.800 -0.035 0.000 2.681 155 G HA2 -0.338 3.622 3.960 0.001 0.000 0.220 155 G HA3 -0.338 3.622 3.960 0.001 0.000 0.220 155 G C 0.338 175.172 174.900 -0.111 0.000 1.210 155 G CA 0.881 45.940 45.100 -0.068 0.000 0.783 155 G HN 0.780 nan 8.290 nan 0.000 0.609 156 E N 0.051 120.163 120.200 -0.146 0.000 0.981 156 E HA -0.164 4.187 4.350 0.001 0.000 0.304 156 E C 0.684 176.991 176.600 -0.490 0.000 1.010 156 E CA 0.282 56.506 56.400 -0.292 0.000 1.090 156 E CB -1.059 28.543 29.700 -0.164 0.000 0.712 156 E HN 0.319 nan 8.360 nan 0.000 0.321 157 C N 2.344 121.306 119.300 -0.564 0.000 2.480 157 C HA 0.620 5.081 4.460 0.001 0.000 0.344 157 C C 0.220 174.668 174.990 -0.903 0.000 1.380 157 C CA -0.144 58.563 59.018 -0.517 0.000 2.386 157 C CB 0.069 27.575 27.740 -0.390 0.000 2.210 157 C HN 0.558 nan 8.230 nan 0.000 0.640 158 F N -0.148 119.791 119.950 -0.018 0.000 2.660 158 F HA 0.310 4.837 4.527 0.001 0.000 0.320 158 F C -0.134 175.689 175.800 0.038 0.000 1.099 158 F CA -0.658 57.365 58.000 0.038 0.000 1.061 158 F CB 0.696 39.748 39.000 0.087 0.000 1.300 158 F HN 0.444 nan 8.300 nan 0.000 0.479 159 R N 2.399 123.041 120.500 0.237 0.000 2.343 159 R HA 0.499 4.839 4.340 0.001 0.000 0.326 159 R C 1.041 177.445 176.300 0.174 0.000 1.055 159 R CA 0.668 56.835 56.100 0.112 0.000 0.961 159 R CB 0.824 31.107 30.300 -0.028 0.000 0.978 159 R HN 0.938 nan 8.270 nan 0.000 0.443 160 A N 4.630 127.564 122.820 0.189 0.000 1.859 160 A HA -0.341 3.980 4.320 0.001 0.000 0.218 160 A C 1.648 179.405 177.584 0.289 0.000 1.242 160 A CA 2.111 54.304 52.037 0.260 0.000 0.661 160 A CB -0.907 18.164 19.000 0.119 0.000 0.842 160 A HN 0.996 nan 8.150 nan 0.000 0.455 161 D N -1.251 119.270 120.400 0.202 0.000 3.348 161 D HA -0.309 4.331 4.640 0.001 0.000 0.303 161 D C 1.531 177.948 176.300 0.194 0.000 1.138 161 D CA 2.691 56.772 54.000 0.135 0.000 1.017 161 D CB -0.811 39.938 40.800 -0.085 0.000 1.037 161 D HN 0.766 nan 8.370 nan 0.000 0.525 162 H N -0.701 118.448 119.070 0.132 0.000 2.387 162 H HA -0.024 4.532 4.556 0.001 0.000 0.299 162 H C 2.418 177.799 175.328 0.087 0.000 1.090 162 H CA 0.514 56.622 56.048 0.100 0.000 1.332 162 H CB -0.022 29.800 29.762 0.099 0.000 1.386 162 H HN 0.162 nan 8.280 nan 0.000 0.516 163 L N 0.757 122.122 121.223 0.235 0.000 1.990 163 L HA -0.220 4.121 4.340 0.001 0.000 0.213 163 L C 2.497 179.397 176.870 0.050 0.000 1.072 163 L CA 0.993 55.895 54.840 0.102 0.000 0.755 163 L CB -0.270 41.853 42.059 0.107 0.000 0.889 163 L HN 0.387 nan 8.230 nan 0.000 0.432 164 L N 0.305 121.562 121.223 0.057 0.000 2.083 164 L HA -0.277 4.063 4.340 0.001 0.000 0.209 164 L C 2.425 179.301 176.870 0.010 0.000 1.083 164 L CA 1.928 56.726 54.840 -0.070 0.000 0.752 164 L CB -0.630 41.394 42.059 -0.059 0.000 0.899 164 L HN 0.371 nan 8.230 nan 0.000 0.433 165 K N -0.246 120.196 120.400 0.070 0.000 2.360 165 K HA -0.098 4.222 4.320 0.001 0.000 0.201 165 K C 1.718 178.343 176.600 0.042 0.000 1.046 165 K CA 1.065 57.387 56.287 0.059 0.000 0.945 165 K CB 0.064 32.626 32.500 0.103 0.000 0.750 165 K HN 0.429 nan 8.250 nan 0.000 0.464 166 A N -0.759 122.089 122.820 0.047 0.000 2.095 166 A HA -0.026 4.295 4.320 0.001 0.000 0.212 166 A C 1.641 179.234 177.584 0.015 0.000 1.162 166 A CA 0.615 52.663 52.037 0.017 0.000 0.753 166 A CB -0.428 18.575 19.000 0.005 0.000 0.840 166 A HN 0.434 nan 8.150 nan 0.000 0.468 167 H N 0.688 119.725 119.070 -0.056 0.000 2.299 167 H HA 0.013 4.569 4.556 0.001 0.000 0.302 167 H C 1.781 177.107 175.328 -0.003 0.000 1.078 167 H CA 2.160 58.179 56.048 -0.048 0.000 1.323 167 H CB -0.081 29.632 29.762 -0.080 0.000 1.381 167 H HN 0.352 nan 8.280 nan 0.000 0.498 168 L N -0.284 121.014 121.223 0.124 0.000 2.156 168 L HA -0.096 4.245 4.340 0.001 0.000 0.208 168 L C 1.821 178.713 176.870 0.037 0.000 1.095 168 L CA 1.002 55.903 54.840 0.102 0.000 0.770 168 L CB -0.600 41.485 42.059 0.044 0.000 0.914 168 L HN 0.356 nan 8.230 nan 0.000 0.439 169 Q N 0.273 120.079 119.800 0.011 0.000 2.515 169 Q HA -0.128 4.212 4.340 0.001 0.000 0.214 169 Q C 1.545 177.528 176.000 -0.028 0.000 0.971 169 Q CA 0.692 56.493 55.803 -0.004 0.000 0.952 169 Q CB 0.199 28.933 28.738 -0.008 0.000 0.999 169 Q HN 0.279 nan 8.270 nan 0.000 0.524 170 K N -0.473 119.894 120.400 -0.054 0.000 2.367 170 K HA 0.144 4.465 4.320 0.001 0.000 0.198 170 K C 1.467 178.022 176.600 -0.074 0.000 1.132 170 K CA 0.202 56.437 56.287 -0.088 0.000 0.941 170 K CB 0.418 32.819 32.500 -0.165 0.000 1.052 170 K HN 0.033 nan 8.250 nan 0.000 0.507 171 L N 0.370 121.559 121.223 -0.057 0.000 1.988 171 L HA -0.096 4.244 4.340 0.001 0.000 0.207 171 L C 2.272 179.146 176.870 0.007 0.000 1.071 171 L CA 1.405 56.235 54.840 -0.017 0.000 0.744 171 L CB -0.497 41.593 42.059 0.052 0.000 0.893 171 L HN 0.135 nan 8.230 nan 0.000 0.433 172 M N -0.903 118.714 119.600 0.029 0.000 2.202 172 M HA -0.206 4.274 4.480 0.001 0.000 0.262 172 M C 2.480 178.787 176.300 0.012 0.000 1.063 172 M CA 1.662 56.980 55.300 0.030 0.000 1.097 172 M CB -0.574 32.050 32.600 0.040 0.000 1.382 172 M HN 0.183 nan 8.290 nan 0.000 0.413 173 S N -0.055 115.644 115.700 -0.002 0.000 2.414 173 S HA -0.079 4.391 4.470 0.001 0.000 0.227 173 S C 0.425 175.017 174.600 -0.014 0.000 1.022 173 S CA 0.290 58.485 58.200 -0.009 0.000 0.958 173 S CB -0.282 62.907 63.200 -0.018 0.000 0.797 173 S HN 0.456 nan 8.310 nan 0.000 0.493 174 D N 1.096 121.485 120.400 -0.019 0.000 2.417 174 D HA 0.078 4.718 4.640 0.001 0.000 0.250 174 D C 1.045 177.337 176.300 -0.013 0.000 1.166 174 D CA 0.000 53.987 54.000 -0.022 0.000 0.881 174 D CB 0.719 41.500 40.800 -0.031 0.000 1.164 174 D HN -0.093 nan 8.370 nan 0.000 0.467 175 K N 2.956 123.349 120.400 -0.012 0.000 2.520 175 K HA -0.119 4.202 4.320 0.001 0.000 0.197 175 K C 0.744 177.340 176.600 -0.006 0.000 1.043 175 K CA 0.717 56.999 56.287 -0.007 0.000 0.944 175 K CB -0.060 32.436 32.500 -0.007 0.000 0.770 175 K HN 0.550 nan 8.250 nan 0.000 0.480 176 K N 0.203 120.597 120.400 -0.009 0.000 2.504 176 K HA 0.044 4.364 4.320 0.001 0.000 0.199 176 K C 0.375 176.971 176.600 -0.007 0.000 1.028 176 K CA -0.235 56.047 56.287 -0.009 0.000 1.164 176 K CB -0.027 32.465 32.500 -0.013 0.000 0.877 176 K HN -0.012 nan 8.250 nan 0.000 0.508 177 C N 2.244 121.543 119.300 -0.002 0.000 2.539 177 C HA 0.195 4.655 4.460 0.001 0.000 0.392 177 C C 0.782 175.775 174.990 0.005 0.000 1.269 177 C CA -0.596 58.424 59.018 0.004 0.000 2.250 177 C CB 0.203 27.950 27.740 0.011 0.000 2.584 177 C HN 0.503 nan 8.230 nan 0.000 0.589 178 S N 3.546 119.250 115.700 0.007 0.000 2.513 178 S HA 0.248 4.719 4.470 0.001 0.000 0.276 178 S C 0.834 175.443 174.600 0.015 0.000 1.254 178 S CA -0.370 57.835 58.200 0.008 0.000 1.053 178 S CB 1.213 64.416 63.200 0.005 0.000 0.958 178 S HN 1.195 nan 8.310 nan 0.000 0.491 179 V N -0.495 119.427 119.914 0.014 0.000 3.099 179 V HA -0.147 3.974 4.120 0.001 0.000 0.269 179 V C 1.755 177.863 176.094 0.022 0.000 1.150 179 V CA 1.485 63.796 62.300 0.018 0.000 1.165 179 V CB -1.079 30.754 31.823 0.016 0.000 0.756 179 V HN 0.800 nan 8.190 nan 0.000 0.527 180 E N 1.151 121.363 120.200 0.020 0.000 2.022 180 E HA -0.097 4.254 4.350 0.001 0.000 0.190 180 E C 2.063 178.682 176.600 0.032 0.000 0.973 180 E CA 1.340 57.754 56.400 0.023 0.000 0.816 180 E CB -0.261 29.448 29.700 0.015 0.000 0.781 180 E HN 0.683 nan 8.360 nan 0.000 0.456 181 K N 1.512 121.930 120.400 0.029 0.000 1.977 181 K HA -0.249 4.072 4.320 0.001 0.000 0.218 181 K C 2.215 178.855 176.600 0.066 0.000 1.051 181 K CA 2.110 58.423 56.287 0.043 0.000 0.953 181 K CB -0.221 32.296 32.500 0.028 0.000 0.727 181 K HN -0.094 nan 8.250 nan 0.000 0.445 182 K N 0.170 120.604 120.400 0.057 0.000 2.169 182 K HA -0.257 4.064 4.320 0.001 0.000 0.213 182 K C 2.120 178.758 176.600 0.063 0.000 1.050 182 K CA 2.143 58.466 56.287 0.060 0.000 0.935 182 K CB -0.351 32.174 32.500 0.042 0.000 0.722 182 K HN 0.149 nan 8.250 nan 0.000 0.468 183 S N -0.033 115.701 115.700 0.056 0.000 2.447 183 S HA -0.102 4.369 4.470 0.001 0.000 0.233 183 S C 1.570 176.209 174.600 0.065 0.000 1.006 183 S CA 1.291 59.523 58.200 0.055 0.000 0.957 183 S CB -0.091 63.136 63.200 0.045 0.000 0.773 183 S HN 0.537 nan 8.310 nan 0.000 0.507 184 E N 0.349 120.598 120.200 0.082 0.000 2.389 184 E HA 0.089 4.439 4.350 0.001 0.000 0.199 184 E C 1.674 178.347 176.600 0.121 0.000 0.978 184 E CA 0.260 56.719 56.400 0.097 0.000 0.912 184 E CB -0.485 29.278 29.700 0.104 0.000 0.907 184 E HN 0.502 nan 8.360 nan 0.000 0.494 185 M N 0.812 120.496 119.600 0.141 0.000 2.374 185 M HA -0.044 4.437 4.480 0.001 0.000 0.264 185 M C 1.815 178.152 176.300 0.063 0.000 1.067 185 M CA 1.333 56.713 55.300 0.132 0.000 1.103 185 M CB -0.156 32.554 32.600 0.184 0.000 1.402 185 M HN 0.094 nan 8.290 nan 0.000 0.444 186 E N -0.053 120.187 120.200 0.067 0.000 2.152 186 E HA -0.090 4.261 4.350 0.001 0.000 0.192 186 E C 1.874 178.501 176.600 0.045 0.000 0.983 186 E CA 1.072 57.502 56.400 0.050 0.000 0.818 186 E CB 0.066 29.799 29.700 0.054 0.000 0.758 186 E HN 0.403 nan 8.360 nan 0.000 0.467 187 S N 0.237 115.973 115.700 0.059 0.000 2.515 187 S HA -0.050 4.421 4.470 0.001 0.000 0.231 187 S C 1.898 176.541 174.600 0.071 0.000 0.987 187 S CA 0.425 58.662 58.200 0.061 0.000 0.936 187 S CB 0.286 63.532 63.200 0.077 0.000 0.766 187 S HN 0.060 nan 8.310 nan 0.000 0.528 188 V N 0.913 120.869 119.914 0.069 0.000 2.949 188 V HA 0.141 4.261 4.120 0.001 0.000 0.245 188 V C 1.944 178.031 176.094 -0.012 0.000 1.086 188 V CA 0.625 62.989 62.300 0.105 0.000 1.097 188 V CB -0.519 31.329 31.823 0.042 0.000 0.762 188 V HN 0.380 nan 8.190 nan 0.000 0.470 189 L N 0.738 121.947 121.223 -0.022 0.000 2.044 189 L HA 0.104 4.444 4.340 0.001 0.000 0.205 189 L C 1.859 178.692 176.870 -0.061 0.000 1.075 189 L CA 1.310 56.130 54.840 -0.034 0.000 0.747 189 L CB -0.503 41.555 42.059 -0.001 0.000 0.903 189 L HN 0.326 nan 8.230 nan 0.000 0.435 190 A N -0.086 122.713 122.820 -0.035 0.000 3.063 190 A HA 0.227 4.548 4.320 0.001 0.000 0.263 190 A C 0.525 178.051 177.584 -0.096 0.000 1.736 190 A CA 0.372 52.389 52.037 -0.032 0.000 1.408 190 A CB -0.221 18.793 19.000 0.022 0.000 1.108 190 A HN 0.512 nan 8.150 nan 0.000 0.621 191 Q N -0.130 119.542 119.800 -0.213 0.000 1.361 191 Q HA 0.013 4.354 4.340 0.001 0.000 0.123 191 Q C 0.566 176.088 176.000 -0.797 0.000 0.732 191 Q CA 0.148 55.721 55.803 -0.384 0.000 0.603 191 Q CB -1.243 27.305 28.738 -0.317 0.000 1.061 191 Q HN 0.604 nan 8.270 nan 0.000 0.347 192 L N 0.002 120.912 121.223 -0.521 0.000 2.072 192 L HA -0.050 4.291 4.340 0.001 0.000 0.205 192 L C 1.328 178.062 176.870 -0.226 0.000 1.079 192 L CA 1.525 56.105 54.840 -0.434 0.000 0.752 192 L CB 0.102 42.085 42.059 -0.128 0.000 0.906 192 L HN 0.335 nan 8.230 nan 0.000 0.436 193 D N -0.232 120.072 120.400 -0.159 0.000 2.263 193 D HA -0.162 4.478 4.640 0.001 0.000 0.208 193 D C 1.508 177.756 176.300 -0.087 0.000 0.971 193 D CA 1.047 54.987 54.000 -0.101 0.000 0.867 193 D CB 0.058 40.786 40.800 -0.121 0.000 0.929 193 D HN 0.472 nan 8.370 nan 0.000 0.492 194 N N -0.217 118.399 118.700 -0.139 0.000 2.109 194 N HA -0.097 4.643 4.740 0.001 0.000 0.188 194 N C 0.184 175.752 175.510 0.097 0.000 1.034 194 N CA 0.304 53.320 53.050 -0.057 0.000 0.846 194 N CB -0.405 38.024 38.487 -0.097 0.000 1.010 194 N HN 0.277 nan 8.380 nan 0.000 0.425 195 Y N 1.536 121.865 120.300 0.048 0.000 2.831 195 Y HA -0.099 4.452 4.550 0.001 0.000 0.378 195 Y C 1.605 177.581 175.900 0.125 0.000 1.332 195 Y CA -0.892 57.251 58.100 0.071 0.000 1.693 195 Y CB -0.525 37.978 38.460 0.072 0.000 1.191 195 Y HN 0.100 nan 8.280 nan 0.000 0.516 196 G N 2.475 111.434 108.800 0.264 0.000 2.621 196 G HA2 0.037 3.997 3.960 0.001 0.000 0.271 196 G HA3 0.037 3.997 3.960 0.001 0.000 0.271 196 G C 0.663 175.675 174.900 0.187 0.000 1.236 196 G CA -0.418 44.826 45.100 0.240 0.000 0.958 196 G HN 0.683 nan 8.290 nan 0.000 0.512 197 Q N -0.691 119.201 119.800 0.153 0.000 2.124 197 Q HA -0.295 4.046 4.340 0.001 0.000 0.215 197 Q C 2.321 178.202 176.000 -0.199 0.000 1.015 197 Q CA 2.941 58.631 55.803 -0.189 0.000 0.890 197 Q CB -0.537 28.133 28.738 -0.113 0.000 0.966 197 Q HN 0.616 nan 8.270 nan 0.000 0.412 198 Q N 0.280 120.029 119.800 -0.086 0.000 1.890 198 Q HA -0.117 4.223 4.340 0.001 0.000 0.208 198 Q C 1.896 177.841 176.000 -0.091 0.000 0.982 198 Q CA 2.385 58.136 55.803 -0.087 0.000 0.856 198 Q CB -0.575 28.131 28.738 -0.053 0.000 0.915 198 Q HN 0.648 nan 8.270 nan 0.000 0.427 199 E N -0.025 120.123 120.200 -0.087 0.000 2.279 199 E HA -0.241 4.109 4.350 0.001 0.000 0.205 199 E C 1.956 178.469 176.600 -0.146 0.000 1.028 199 E CA 1.250 57.547 56.400 -0.171 0.000 0.830 199 E CB -0.336 29.194 29.700 -0.282 0.000 0.736 199 E HN 0.320 nan 8.360 nan 0.000 0.478 200 L N -0.330 120.866 121.223 -0.046 0.000 2.240 200 L HA -0.015 4.325 4.340 0.001 0.000 0.211 200 L C 2.181 179.049 176.870 -0.004 0.000 1.106 200 L CA 0.745 55.609 54.840 0.039 0.000 0.793 200 L CB -0.048 42.044 42.059 0.055 0.000 0.927 200 L HN 0.124 nan 8.230 nan 0.000 0.446 201 A N -0.715 122.038 122.820 -0.112 0.000 1.872 201 A HA -0.172 4.149 4.320 0.001 0.000 0.214 201 A C 1.942 179.535 177.584 0.015 0.000 1.187 201 A CA 1.532 53.499 52.037 -0.117 0.000 0.614 201 A CB -0.540 18.367 19.000 -0.155 0.000 0.826 201 A HN 0.376 nan 8.150 nan 0.000 0.442 202 D N 0.286 120.679 120.400 -0.012 0.000 2.095 202 D HA -0.154 4.486 4.640 0.001 0.000 0.192 202 D C 1.943 178.273 176.300 0.050 0.000 0.990 202 D CA 1.469 55.471 54.000 0.003 0.000 0.836 202 D CB -0.481 40.293 40.800 -0.043 0.000 0.979 202 D HN 0.355 nan 8.370 nan 0.000 0.447 203 L N -0.012 121.228 121.223 0.028 0.000 2.283 203 L HA -0.225 4.115 4.340 0.001 0.000 0.217 203 L C 2.368 179.279 176.870 0.068 0.000 1.104 203 L CA 0.689 55.557 54.840 0.047 0.000 0.772 203 L CB -0.399 41.647 42.059 -0.021 0.000 0.899 203 L HN 0.024 nan 8.230 nan 0.000 0.439 204 F N -1.414 118.513 119.950 -0.040 0.000 2.699 204 F HA -0.112 4.415 4.527 0.001 0.000 0.298 204 F C 1.901 177.677 175.800 -0.040 0.000 1.154 204 F CA 0.409 58.381 58.000 -0.047 0.000 1.457 204 F CB 0.210 39.177 39.000 -0.054 0.000 1.106 204 F HN -0.172 nan 8.300 nan 0.000 0.585 205 V N -0.825 119.144 119.914 0.092 0.000 2.490 205 V HA -0.145 3.976 4.120 0.001 0.000 0.238 205 V C 1.685 177.783 176.094 0.007 0.000 1.056 205 V CA 1.138 63.463 62.300 0.042 0.000 1.075 205 V CB -0.791 31.054 31.823 0.035 0.000 0.746 205 V HN 0.188 nan 8.190 nan 0.000 0.479 206 N N 0.022 118.742 118.700 0.033 0.000 2.013 206 N HA -0.276 4.465 4.740 0.001 0.000 0.191 206 N C 1.677 177.180 175.510 -0.012 0.000 1.084 206 N CA 2.275 55.343 53.050 0.029 0.000 0.904 206 N CB -0.469 38.112 38.487 0.156 0.000 1.065 206 N HN 0.368 nan 8.380 nan 0.000 0.492 207 Y N 1.152 121.383 120.300 -0.116 0.000 2.617 207 Y HA -0.185 4.366 4.550 0.001 0.000 0.284 207 Y C 0.465 176.191 175.900 -0.290 0.000 1.162 207 Y CA 0.837 58.849 58.100 -0.147 0.000 1.399 207 Y CB -1.278 37.090 38.460 -0.152 0.000 0.962 207 Y HN 0.356 nan 8.280 nan 0.000 0.576 208 N N -0.395 118.217 118.700 -0.147 0.000 2.473 208 N HA -0.187 4.553 4.740 0.001 0.000 0.298 208 N C -1.372 173.885 175.510 -0.422 0.000 1.390 208 N CA 0.415 53.347 53.050 -0.196 0.000 0.659 208 N CB -0.683 37.753 38.487 -0.086 0.000 0.968 208 N HN -0.019 nan 8.380 nan 0.000 0.508 209 V N 3.831 123.443 119.914 -0.504 0.000 2.607 209 V HA 0.469 4.589 4.120 0.001 0.000 0.289 209 V C 0.643 176.616 176.094 -0.202 0.000 1.053 209 V CA 0.082 62.031 62.300 -0.585 0.000 0.996 209 V CB 1.561 32.778 31.823 -1.010 0.000 0.995 209 V HN 0.569 nan 8.190 nan 0.000 0.476 210 K N 2.442 122.783 120.400 -0.098 0.000 2.588 210 K HA 0.314 4.635 4.320 0.001 0.000 0.250 210 K C -0.523 176.066 176.600 -0.018 0.000 0.972 210 K CA -0.438 55.845 56.287 -0.007 0.000 0.821 210 K CB 1.843 34.355 32.500 0.022 0.000 1.249 210 K HN 0.656 nan 8.250 nan 0.000 0.442 211 S N 3.817 119.509 115.700 -0.014 0.000 4.263 211 S HA -0.101 4.369 4.470 0.001 0.000 0.508 211 S C -0.927 173.612 174.600 -0.102 0.000 1.062 211 S CA -0.407 57.754 58.200 -0.066 0.000 0.854 211 S CB 0.349 63.614 63.200 0.107 0.000 0.878 211 S HN 0.481 nan 8.310 nan 0.000 0.448 212 P HA 0.013 nan 4.420 nan 0.000 0.223 212 P C 0.358 177.643 177.300 -0.026 0.000 1.151 212 P CA 0.758 63.779 63.100 -0.132 0.000 0.787 212 P CB -0.388 31.190 31.700 -0.205 0.000 0.788 213 I N -4.517 116.074 120.570 0.035 0.000 2.362 213 I HA 0.496 4.666 4.170 0.001 0.000 0.289 213 I C 0.312 176.472 176.117 0.071 0.000 0.994 213 I CA -0.743 60.602 61.300 0.076 0.000 1.158 213 I CB 1.082 39.163 38.000 0.135 0.000 1.315 213 I HN -0.276 nan 8.210 nan 0.000 0.451 214 T N 4.734 119.316 114.554 0.048 0.000 3.720 214 T HA -0.184 4.166 4.350 0.001 0.000 0.381 214 T C 0.926 175.652 174.700 0.044 0.000 0.763 214 T CA 0.775 62.900 62.100 0.042 0.000 1.957 214 T CB -1.931 66.965 68.868 0.047 0.000 1.767 214 T HN 1.937 nan 8.240 nan 0.000 0.743 215 G N 2.740 111.560 108.800 0.033 0.000 2.759 215 G HA2 -0.123 3.837 3.960 0.001 0.000 0.325 215 G HA3 -0.123 3.837 3.960 0.001 0.000 0.325 215 G C 0.412 175.337 174.900 0.041 0.000 0.312 215 G CA 0.697 45.817 45.100 0.033 0.000 1.249 215 G HN 0.910 nan 8.290 nan 0.000 0.331 216 N N 0.464 119.198 118.700 0.057 0.000 2.531 216 N HA 0.453 5.194 4.740 0.001 0.000 0.301 216 N C -0.714 174.833 175.510 0.061 0.000 1.310 216 N CA -0.658 52.427 53.050 0.058 0.000 0.949 216 N CB 0.693 39.222 38.487 0.069 0.000 1.111 216 N HN 0.194 nan 8.380 nan 0.000 0.565 217 D N 0.117 120.555 120.400 0.063 0.000 2.427 217 D HA 0.293 4.933 4.640 0.001 0.000 0.226 217 D C -0.902 175.451 176.300 0.089 0.000 1.076 217 D CA -0.453 53.587 54.000 0.067 0.000 0.849 217 D CB 0.523 41.352 40.800 0.049 0.000 1.052 217 D HN 0.149 nan 8.370 nan 0.000 0.515 218 L N 2.246 123.544 121.223 0.125 0.000 2.499 218 L HA 0.117 4.457 4.340 0.001 0.000 0.273 218 L C 1.415 178.356 176.870 0.119 0.000 1.195 218 L CA 0.161 55.100 54.840 0.164 0.000 0.882 218 L CB 0.026 42.248 42.059 0.272 0.000 1.133 218 L HN 0.443 nan 8.230 nan 0.000 0.483 219 S N 5.734 121.476 115.700 0.070 0.000 2.647 219 S HA 0.411 4.882 4.470 0.001 0.000 0.251 219 S C -2.193 172.388 174.600 -0.032 0.000 1.320 219 S CA -0.697 57.513 58.200 0.017 0.000 0.968 219 S CB -0.227 62.971 63.200 -0.002 0.000 1.005 219 S HN 0.619 nan 8.310 nan 0.000 0.576 220 P HA 0.424 nan 4.420 nan 0.000 0.285 220 P C -2.869 174.265 177.300 -0.278 0.000 1.269 220 P CA -2.155 60.842 63.100 -0.173 0.000 0.844 220 P CB 0.183 31.810 31.700 -0.122 0.000 1.094 221 P HA 0.027 nan 4.420 nan 0.000 0.267 221 P C -0.243 176.839 177.300 -0.364 0.000 1.209 221 P CA 0.338 63.138 63.100 -0.500 0.000 0.763 221 P CB 0.454 31.730 31.700 -0.706 0.000 0.816 222 V N 0.212 120.020 119.914 -0.178 0.000 3.040 222 V HA 0.530 4.650 4.120 0.001 0.000 0.312 222 V C -0.067 176.174 176.094 0.244 0.000 1.115 222 V CA -0.948 61.333 62.300 -0.032 0.000 0.998 222 V CB 1.996 33.824 31.823 0.007 0.000 1.042 222 V HN 0.340 nan 8.190 nan 0.000 0.433 223 S N 3.422 119.291 115.700 0.281 0.000 2.681 223 S HA 0.410 4.880 4.470 0.001 0.000 0.313 223 S C -0.612 174.092 174.600 0.174 0.000 1.137 223 S CA -0.075 58.321 58.200 0.327 0.000 1.045 223 S CB -0.702 62.648 63.200 0.250 0.000 1.208 223 S HN 0.706 nan 8.310 nan 0.000 0.523 224 F N 4.944 124.904 119.950 0.017 0.000 2.413 224 F HA 0.290 4.818 4.527 0.001 0.000 0.359 224 F C 0.419 176.147 175.800 -0.121 0.000 1.122 224 F CA -1.252 56.718 58.000 -0.049 0.000 1.160 224 F CB 0.196 39.161 39.000 -0.059 0.000 1.146 224 F HN 0.318 nan 8.300 nan 0.000 0.514 225 N N 6.096 124.358 118.700 -0.730 0.000 2.468 225 N HA 0.017 4.757 4.740 0.001 0.000 0.265 225 N C 0.950 175.860 175.510 -1.001 0.000 1.199 225 N CA 0.269 52.913 53.050 -0.676 0.000 0.928 225 N CB 0.832 39.073 38.487 -0.410 0.000 1.059 225 N HN 0.882 nan 8.380 nan 0.000 0.467 226 L N 2.942 123.707 121.223 -0.764 0.000 2.313 226 L HA 0.057 4.398 4.340 0.001 0.000 0.214 226 L C 1.264 177.907 176.870 -0.378 0.000 1.119 226 L CA 0.409 54.886 54.840 -0.606 0.000 0.809 226 L CB -0.123 41.529 42.059 -0.678 0.000 0.933 226 L HN 0.510 nan 8.230 nan 0.000 0.449 227 M N -0.508 118.959 119.600 -0.222 0.000 2.247 227 M HA -0.036 4.445 4.480 0.001 0.000 0.318 227 M C -0.101 176.204 176.300 0.008 0.000 1.054 227 M CA 0.494 55.821 55.300 0.045 0.000 1.117 227 M CB 0.263 32.867 32.600 0.007 0.000 1.515 227 M HN -0.162 nan 8.290 nan 0.000 0.442 228 F N 1.585 121.632 119.950 0.162 0.000 2.368 228 F HA 0.404 4.932 4.527 0.001 0.000 0.308 228 F C 0.564 176.424 175.800 0.101 0.000 1.198 228 F CA 0.208 58.267 58.000 0.099 0.000 1.130 228 F CB 0.696 39.717 39.000 0.036 0.000 1.300 228 F HN 0.290 nan 8.300 nan 0.000 0.537 229 K N 1.104 121.585 120.400 0.135 0.000 2.553 229 K HA 0.508 4.829 4.320 0.001 0.000 0.250 229 K C -1.341 175.045 176.600 -0.357 0.000 0.953 229 K CA -0.284 55.891 56.287 -0.186 0.000 0.800 229 K CB 1.778 34.160 32.500 -0.197 0.000 1.243 229 K HN 0.735 nan 8.250 nan 0.000 0.435 230 T N 2.277 116.477 114.554 -0.590 0.000 2.739 230 T HA 0.546 4.897 4.350 0.001 0.000 0.303 230 T C -1.470 172.710 174.700 -0.867 0.000 1.389 230 T CA -0.526 61.150 62.100 -0.706 0.000 1.001 230 T CB 0.640 69.318 68.868 -0.317 0.000 1.436 230 T HN 0.298 nan 8.240 nan 0.000 0.500 231 F N 1.309 121.212 119.950 -0.078 0.000 2.426 231 F HA 0.593 5.121 4.527 0.001 0.000 0.348 231 F C 0.333 176.100 175.800 -0.055 0.000 1.124 231 F CA -0.968 56.990 58.000 -0.071 0.000 1.008 231 F CB 0.732 39.700 39.000 -0.054 0.000 1.139 231 F HN 0.255 nan 8.300 nan 0.000 0.452 232 I N 3.482 124.109 120.570 0.096 0.000 2.471 232 I HA 0.454 4.625 4.170 0.001 0.000 0.286 232 I C 0.799 176.955 176.117 0.064 0.000 1.079 232 I CA 0.311 61.639 61.300 0.047 0.000 1.398 232 I CB 0.179 38.192 38.000 0.022 0.000 1.403 232 I HN 0.871 nan 8.210 nan 0.000 0.530 233 G N 7.269 116.095 108.800 0.044 0.000 2.814 233 G HA2 -0.134 3.826 3.960 0.001 0.000 0.677 233 G HA3 -0.134 3.826 3.960 0.001 0.000 0.677 233 G C -2.733 172.191 174.900 0.040 0.000 1.429 233 G CA -1.111 44.009 45.100 0.034 0.000 0.868 233 G HN 0.537 nan 8.290 nan 0.000 0.553 234 P HA 0.571 nan 4.420 nan 0.000 0.278 234 P C 0.958 178.249 177.300 -0.015 0.000 1.238 234 P CA 1.385 64.490 63.100 0.009 0.000 0.794 234 P CB 1.185 32.886 31.700 0.002 0.000 0.955 235 G N 1.342 110.115 108.800 -0.044 0.000 2.464 235 G HA2 0.146 4.107 3.960 0.001 0.000 0.216 235 G HA3 0.146 4.107 3.960 0.001 0.000 0.216 235 G C 0.130 174.906 174.900 -0.207 0.000 1.186 235 G CA 0.042 45.082 45.100 -0.100 0.000 1.010 235 G HN 0.876 nan 8.290 nan 0.000 0.585 236 G N -0.851 107.793 108.800 -0.260 0.000 4.490 236 G HA2 0.347 4.308 3.960 0.001 0.000 0.233 236 G HA3 0.347 4.308 3.960 0.001 0.000 0.233 236 G C 0.631 175.383 174.900 -0.248 0.000 1.027 236 G CA 1.116 45.901 45.100 -0.524 0.000 0.829 236 G HN 0.849 nan 8.290 nan 0.000 0.343 237 N N 0.459 119.091 118.700 -0.114 0.000 2.453 237 N HA 0.051 4.792 4.740 0.001 0.000 0.183 237 N C 1.077 176.593 175.510 0.009 0.000 1.041 237 N CA 0.713 53.735 53.050 -0.046 0.000 0.900 237 N CB 0.078 38.545 38.487 -0.033 0.000 0.961 237 N HN 0.383 nan 8.380 nan 0.000 0.443 238 M N 1.163 120.790 119.600 0.045 0.000 2.488 238 M HA 0.295 4.776 4.480 0.001 0.000 0.204 238 M C -2.642 173.760 176.300 0.169 0.000 0.969 238 M CA -2.149 53.201 55.300 0.083 0.000 0.720 238 M CB 1.139 33.774 32.600 0.059 0.000 1.427 238 M HN -0.118 nan 8.290 nan 0.000 0.427 239 P HA 0.472 nan 4.420 nan 0.000 0.280 239 P C -0.073 177.194 177.300 -0.056 0.000 1.278 239 P CA 0.246 63.520 63.100 0.289 0.000 0.787 239 P CB 1.037 32.895 31.700 0.262 0.000 1.163 240 G N -1.843 106.735 108.800 -0.371 0.000 2.427 240 G HA2 0.558 4.519 3.960 0.001 0.000 0.306 240 G HA3 0.558 4.519 3.960 0.001 0.000 0.306 240 G C -2.248 172.213 174.900 -0.732 0.000 1.280 240 G CA -0.596 44.272 45.100 -0.387 0.000 0.837 240 G HN 0.460 nan 8.290 nan 0.000 0.482 241 Y N -1.721 118.542 120.300 -0.062 0.000 2.670 241 Y HA 0.594 5.144 4.550 0.001 0.000 0.334 241 Y C -0.297 175.559 175.900 -0.073 0.000 1.185 241 Y CA -0.991 57.085 58.100 -0.041 0.000 1.053 241 Y CB 1.912 40.383 38.460 0.017 0.000 1.298 241 Y HN 0.375 nan 8.280 nan 0.000 0.459 242 L N 3.260 124.559 121.223 0.127 0.000 2.287 242 L HA 0.418 4.758 4.340 0.001 0.000 0.280 242 L C -0.034 176.880 176.870 0.073 0.000 1.055 242 L CA -0.730 54.041 54.840 -0.115 0.000 0.863 242 L CB 0.601 42.327 42.059 -0.554 0.000 1.245 242 L HN 0.664 nan 8.230 nan 0.000 0.432 243 R N 3.857 124.390 120.500 0.054 0.000 3.752 243 R HA -0.125 4.215 4.340 0.001 0.000 0.227 243 R C -1.796 174.577 176.300 0.121 0.000 0.592 243 R CA -0.441 55.694 56.100 0.058 0.000 0.981 243 R CB -0.231 30.081 30.300 0.019 0.000 0.973 243 R HN 0.365 nan 8.270 nan 0.000 0.330 244 P HA -0.139 nan 4.420 nan 0.000 0.237 244 P C -0.307 177.049 177.300 0.093 0.000 1.178 244 P CA 1.098 64.321 63.100 0.204 0.000 0.766 244 P CB 0.228 32.133 31.700 0.342 0.000 0.876 245 E N -1.472 118.728 120.200 -0.000 0.000 2.430 245 E HA 0.270 4.620 4.350 0.001 0.000 0.279 245 E C 0.216 176.784 176.600 -0.055 0.000 1.003 245 E CA -0.578 55.816 56.400 -0.010 0.000 0.801 245 E CB 0.862 30.580 29.700 0.029 0.000 1.313 245 E HN -0.212 nan 8.360 nan 0.000 0.459 246 T N -0.841 113.666 114.554 -0.078 0.000 2.866 246 T HA 0.135 4.486 4.350 0.001 0.000 0.250 246 T C 2.071 176.683 174.700 -0.147 0.000 1.033 246 T CA 1.271 63.306 62.100 -0.107 0.000 1.145 246 T CB -0.635 68.156 68.868 -0.127 0.000 0.866 246 T HN 0.610 nan 8.240 nan 0.000 0.434 247 A N 2.316 125.019 122.820 -0.196 0.000 1.935 247 A HA -0.363 3.957 4.320 0.001 0.000 0.224 247 A C 2.421 179.780 177.584 -0.376 0.000 1.324 247 A CA 2.686 54.494 52.037 -0.383 0.000 0.686 247 A CB -1.454 17.352 19.000 -0.324 0.000 0.837 247 A HN 0.562 nan 8.150 nan 0.000 0.481 248 Q N -1.149 118.613 119.800 -0.063 0.000 2.224 248 Q HA -0.246 4.095 4.340 0.001 0.000 0.213 248 Q C 2.112 178.086 176.000 -0.043 0.000 0.998 248 Q CA 1.988 57.837 55.803 0.078 0.000 0.895 248 Q CB -1.235 27.533 28.738 0.050 0.000 0.926 248 Q HN 0.779 nan 8.270 nan 0.000 0.417 249 G N 0.122 108.855 108.800 -0.111 0.000 2.394 249 G HA2 -0.140 3.820 3.960 0.001 0.000 0.215 249 G HA3 -0.140 3.820 3.960 0.001 0.000 0.215 249 G C 1.553 176.379 174.900 -0.123 0.000 1.165 249 G CA 0.397 45.437 45.100 -0.100 0.000 0.784 249 G HN 0.350 nan 8.290 nan 0.000 0.535 250 I N 0.067 120.491 120.570 -0.244 0.000 2.423 250 I HA -0.140 4.031 4.170 0.001 0.000 0.254 250 I C 2.219 178.295 176.117 -0.069 0.000 1.151 250 I CA 0.798 61.957 61.300 -0.235 0.000 1.421 250 I CB -0.167 37.592 38.000 -0.403 0.000 1.079 250 I HN 0.070 nan 8.210 nan 0.000 0.431 251 F N 0.241 120.277 119.950 0.145 0.000 2.179 251 F HA -0.004 4.524 4.527 0.001 0.000 0.292 251 F C 2.178 178.022 175.800 0.072 0.000 1.089 251 F CA 0.716 58.839 58.000 0.204 0.000 1.295 251 F CB -1.021 38.055 39.000 0.127 0.000 1.041 251 F HN -0.139 nan 8.300 nan 0.000 0.487 252 L N 0.217 121.499 121.223 0.099 0.000 2.447 252 L HA -0.213 4.127 4.340 0.001 0.000 0.225 252 L C 1.332 178.236 176.870 0.057 0.000 1.148 252 L CA 0.990 55.831 54.840 0.002 0.000 0.808 252 L CB -0.580 41.439 42.059 -0.067 0.000 0.928 252 L HN 0.266 nan 8.230 nan 0.000 0.448 253 N N -1.176 117.571 118.700 0.078 0.000 2.205 253 N HA 0.008 4.749 4.740 0.001 0.000 0.201 253 N C 1.456 177.007 175.510 0.069 0.000 1.128 253 N CA -0.017 53.059 53.050 0.043 0.000 0.867 253 N CB 0.330 38.807 38.487 -0.017 0.000 0.996 253 N HN 0.161 nan 8.380 nan 0.000 0.503 254 F N 2.786 122.755 119.950 0.033 0.000 2.053 254 F HA -0.381 4.147 4.527 0.001 0.000 0.295 254 F C 2.264 178.035 175.800 -0.048 0.000 1.102 254 F CA 1.839 59.833 58.000 -0.011 0.000 1.225 254 F CB 0.189 39.165 39.000 -0.039 0.000 0.961 254 F HN -0.117 nan 8.300 nan 0.000 0.495 255 K N 0.622 121.179 120.400 0.262 0.000 2.000 255 K HA -0.245 4.076 4.320 0.001 0.000 0.218 255 K C 2.048 178.647 176.600 -0.001 0.000 1.053 255 K CA 2.444 58.820 56.287 0.148 0.000 0.946 255 K CB -0.862 31.701 32.500 0.106 0.000 0.723 255 K HN 0.478 nan 8.250 nan 0.000 0.446 256 R N 0.702 121.196 120.500 -0.011 0.000 2.237 256 R HA -0.004 4.337 4.340 0.001 0.000 0.219 256 R C 2.350 178.602 176.300 -0.080 0.000 1.080 256 R CA 0.810 56.898 56.100 -0.020 0.000 0.995 256 R CB -0.410 29.888 30.300 -0.004 0.000 0.875 256 R HN 0.168 nan 8.270 nan 0.000 0.462 257 L N 0.654 121.767 121.223 -0.183 0.000 2.209 257 L HA -0.036 4.305 4.340 0.001 0.000 0.207 257 L C 2.341 178.967 176.870 -0.408 0.000 1.094 257 L CA 0.300 55.003 54.840 -0.228 0.000 0.790 257 L CB -0.250 41.716 42.059 -0.155 0.000 0.932 257 L HN 0.167 nan 8.230 nan 0.000 0.447 258 L N 0.510 121.350 121.223 -0.637 0.000 1.976 258 L HA -0.225 4.116 4.340 0.001 0.000 0.209 258 L C 2.329 178.928 176.870 -0.451 0.000 1.071 258 L CA 1.901 56.222 54.840 -0.865 0.000 0.746 258 L CB -0.454 41.353 42.059 -0.421 0.000 0.890 258 L HN 0.172 nan 8.230 nan 0.000 0.432 259 E N -0.724 119.359 120.200 -0.196 0.000 2.132 259 E HA -0.358 3.993 4.350 0.001 0.000 0.218 259 E C 2.010 178.601 176.600 -0.015 0.000 1.058 259 E CA 2.661 59.025 56.400 -0.060 0.000 0.882 259 E CB -0.532 29.189 29.700 0.034 0.000 0.774 259 E HN 0.483 nan 8.360 nan 0.000 0.467 260 F N 0.838 120.678 119.950 -0.183 0.000 2.087 260 F HA -0.203 4.324 4.527 0.001 0.000 0.299 260 F C 2.041 177.761 175.800 -0.133 0.000 1.100 260 F CA 1.593 59.517 58.000 -0.127 0.000 1.226 260 F CB -0.393 38.556 39.000 -0.085 0.000 0.983 260 F HN 0.140 nan 8.300 nan 0.000 0.479 261 N N 0.920 119.594 118.700 -0.043 0.000 2.484 261 N HA -0.065 4.676 4.740 0.001 0.000 0.245 261 N C -0.113 175.322 175.510 -0.125 0.000 1.184 261 N CA 0.290 53.289 53.050 -0.085 0.000 0.884 261 N CB -0.197 38.215 38.487 -0.125 0.000 1.182 261 N HN 0.250 nan 8.380 nan 0.000 0.493 262 Q N -1.341 118.390 119.800 -0.116 0.000 2.468 262 Q HA -0.227 4.114 4.340 0.001 0.000 0.256 262 Q C 0.889 176.826 176.000 -0.104 0.000 0.984 262 Q CA 1.161 56.905 55.803 -0.099 0.000 1.110 262 Q CB -2.167 26.528 28.738 -0.071 0.000 1.527 262 Q HN 0.691 nan 8.270 nan 0.000 0.535 263 G N -1.228 107.475 108.800 -0.160 0.000 2.179 263 G HA2 -0.363 3.597 3.960 0.001 0.000 0.260 263 G HA3 -0.363 3.597 3.960 0.001 0.000 0.260 263 G C 0.340 175.175 174.900 -0.109 0.000 0.977 263 G CA 0.996 46.011 45.100 -0.142 0.000 0.641 263 G HN 0.374 nan 8.290 nan 0.000 0.533 264 K N -0.902 119.437 120.400 -0.101 0.000 2.179 264 K HA 0.866 5.186 4.320 0.001 0.000 0.238 264 K C -0.021 176.604 176.600 0.042 0.000 1.033 264 K CA -0.441 55.834 56.287 -0.019 0.000 0.926 264 K CB 0.584 33.086 32.500 0.002 0.000 1.151 264 K HN 0.131 nan 8.250 nan 0.000 0.492 265 L N 1.065 122.365 121.223 0.128 0.000 2.434 265 L HA 0.470 4.810 4.340 0.001 0.000 0.260 265 L C -2.357 174.595 176.870 0.137 0.000 0.983 265 L CA -1.604 53.381 54.840 0.242 0.000 0.820 265 L CB 1.372 43.585 42.059 0.256 0.000 1.361 265 L HN 0.619 nan 8.230 nan 0.000 0.410 266 P HA 0.566 nan 4.420 nan 0.000 0.276 266 P C -1.348 176.066 177.300 0.190 0.000 1.244 266 P CA -0.258 62.889 63.100 0.079 0.000 0.801 266 P CB 1.029 32.695 31.700 -0.056 0.000 1.006 267 F N -1.729 118.171 119.950 -0.084 0.000 2.651 267 F HA 0.660 5.187 4.527 0.001 0.000 0.327 267 F C -1.967 173.839 175.800 0.011 0.000 1.133 267 F CA -1.019 56.976 58.000 -0.008 0.000 1.076 267 F CB 0.496 39.507 39.000 0.019 0.000 1.315 267 F HN 0.513 nan 8.300 nan 0.000 0.499 268 A N 2.736 125.419 122.820 -0.228 0.000 2.337 268 A HA 1.012 5.333 4.320 0.001 0.000 0.331 268 A C -0.749 176.757 177.584 -0.130 0.000 1.137 268 A CA -0.239 51.642 52.037 -0.260 0.000 0.807 268 A CB 1.196 20.216 19.000 0.032 0.000 1.250 268 A HN 1.821 nan 8.150 nan 0.000 0.468 269 A N 0.021 122.746 122.820 -0.158 0.000 2.392 269 A HA 1.052 5.372 4.320 0.001 0.000 0.283 269 A C -0.012 177.514 177.584 -0.096 0.000 1.197 269 A CA -0.152 51.843 52.037 -0.069 0.000 0.895 269 A CB 1.289 20.282 19.000 -0.011 0.000 1.400 269 A HN 2.705 nan 8.150 nan 0.000 0.461 270 A N -1.072 121.700 122.820 -0.080 0.000 2.515 270 A HA 0.713 5.033 4.320 0.001 0.000 0.292 270 A C -1.370 176.173 177.584 -0.068 0.000 1.065 270 A CA -0.316 51.684 52.037 -0.061 0.000 0.641 270 A CB 0.923 19.934 19.000 0.019 0.000 1.306 270 A HN 0.945 nan 8.150 nan 0.000 0.441 271 Q N -0.279 119.477 119.800 -0.072 0.000 2.403 271 Q HA 0.545 4.885 4.340 0.001 0.000 0.267 271 Q C -2.051 173.853 176.000 -0.160 0.000 0.991 271 Q CA -0.380 55.360 55.803 -0.105 0.000 0.906 271 Q CB 2.134 30.797 28.738 -0.125 0.000 1.422 271 Q HN 0.689 nan 8.270 nan 0.000 0.400 272 I N 2.293 122.764 120.570 -0.166 0.000 2.411 272 I HA 0.781 4.951 4.170 0.001 0.000 0.284 272 I C 0.275 176.278 176.117 -0.191 0.000 1.012 272 I CA -0.431 60.721 61.300 -0.248 0.000 1.119 272 I CB 1.672 39.520 38.000 -0.253 0.000 1.261 272 I HN 0.747 nan 8.210 nan 0.000 0.448 273 G N 5.256 113.933 108.800 -0.206 0.000 2.494 273 G HA2 0.240 4.200 3.960 0.001 0.000 0.308 273 G HA3 0.240 4.200 3.960 0.001 0.000 0.308 273 G C -1.519 173.251 174.900 -0.217 0.000 1.263 273 G CA -0.622 44.373 45.100 -0.176 0.000 0.840 273 G HN 0.393 nan 8.290 nan 0.000 0.479 274 N N -0.092 118.488 118.700 -0.200 0.000 2.476 274 N HA 0.709 5.449 4.740 0.001 0.000 0.275 274 N C -0.853 174.476 175.510 -0.302 0.000 1.190 274 N CA 0.071 52.929 53.050 -0.321 0.000 0.977 274 N CB 1.629 39.907 38.487 -0.349 0.000 1.200 274 N HN 0.369 nan 8.380 nan 0.000 0.515 275 S N 0.636 115.993 115.700 -0.572 0.000 2.603 275 S HA 0.448 4.919 4.470 0.001 0.000 0.274 275 S C -1.340 172.951 174.600 -0.515 0.000 1.168 275 S CA -0.631 57.327 58.200 -0.404 0.000 0.963 275 S CB 0.549 63.401 63.200 -0.580 0.000 1.078 275 S HN 0.276 nan 8.310 nan 0.000 0.477 276 F N 2.232 122.116 119.950 -0.109 0.000 2.420 276 F HA 0.581 5.109 4.527 0.001 0.000 0.342 276 F C 1.124 177.164 175.800 0.400 0.000 1.113 276 F CA -0.861 57.203 58.000 0.107 0.000 1.059 276 F CB 0.916 39.901 39.000 -0.024 0.000 1.128 276 F HN 0.254 nan 8.300 nan 0.000 0.475 277 R N 2.059 122.966 120.500 0.678 0.000 2.653 277 R HA 0.080 4.420 4.340 0.001 0.000 0.269 277 R C -0.409 176.124 176.300 0.388 0.000 1.603 277 R CA -0.644 55.787 56.100 0.552 0.000 1.671 277 R CB 0.616 31.267 30.300 0.587 0.000 1.300 277 R HN 0.633 nan 8.270 nan 0.000 0.668 278 N N 1.944 120.772 118.700 0.213 0.000 2.210 278 N HA -0.177 4.564 4.740 0.001 0.000 0.285 278 N C 0.083 175.607 175.510 0.024 0.000 1.277 278 N CA 0.568 53.514 53.050 -0.172 0.000 1.131 278 N CB 0.035 37.840 38.487 -1.137 0.000 1.495 278 N HN 0.274 nan 8.380 nan 0.000 0.483 279 E N 1.392 121.671 120.200 0.131 0.000 2.435 279 E HA 0.101 4.452 4.350 0.001 0.000 0.256 279 E C 1.181 177.842 176.600 0.102 0.000 1.245 279 E CA 0.092 56.559 56.400 0.112 0.000 0.989 279 E CB 0.476 30.249 29.700 0.123 0.000 0.983 279 E HN 0.510 nan 8.360 nan 0.000 0.480 280 I N -0.548 120.065 120.570 0.071 0.000 2.628 280 I HA -0.002 4.169 4.170 0.001 0.000 0.255 280 I C 1.017 177.119 176.117 -0.026 0.000 1.119 280 I CA 0.399 61.684 61.300 -0.025 0.000 1.448 280 I CB 0.263 38.230 38.000 -0.055 0.000 1.133 280 I HN 0.174 nan 8.210 nan 0.000 0.438 281 S N 1.500 117.231 115.700 0.052 0.000 2.474 281 S HA 0.280 4.751 4.470 0.001 0.000 0.224 281 S C -2.382 172.295 174.600 0.128 0.000 1.209 281 S CA -1.167 57.081 58.200 0.080 0.000 1.212 281 S CB 0.222 63.509 63.200 0.145 0.000 1.137 281 S HN 0.002 nan 8.310 nan 0.000 0.446 282 P HA 0.058 nan 4.420 nan 0.000 0.247 282 P C -0.138 177.259 177.300 0.162 0.000 1.147 282 P CA 0.255 63.443 63.100 0.148 0.000 0.964 282 P CB 0.018 31.822 31.700 0.173 0.000 0.944 283 R N 1.071 121.666 120.500 0.159 0.000 2.531 283 R HA 0.149 4.489 4.340 0.001 0.000 0.316 283 R C 0.920 177.333 176.300 0.189 0.000 0.955 283 R CA -0.001 56.200 56.100 0.169 0.000 1.120 283 R CB 0.478 30.875 30.300 0.161 0.000 1.361 283 R HN 0.312 nan 8.270 nan 0.000 0.534 284 S N 0.252 116.040 115.700 0.146 0.000 2.577 284 S HA 0.248 4.718 4.470 0.001 0.000 0.219 284 S C 1.068 175.589 174.600 -0.132 0.000 0.962 284 S CA 0.235 58.519 58.200 0.140 0.000 0.921 284 S CB 0.929 64.085 63.200 -0.073 0.000 0.789 284 S HN 0.606 nan 8.310 nan 0.000 0.497 285 G N 2.328 111.101 108.800 -0.045 0.000 2.523 285 G HA2 -0.296 3.664 3.960 0.001 0.000 0.271 285 G HA3 -0.296 3.664 3.960 0.001 0.000 0.271 285 G C 0.455 174.984 174.900 -0.618 0.000 1.146 285 G CA 0.117 45.074 45.100 -0.239 0.000 0.961 285 G HN 0.356 nan 8.290 nan 0.000 0.549 286 L N 1.334 122.110 121.223 -0.746 0.000 2.551 286 L HA 0.117 4.458 4.340 0.001 0.000 0.228 286 L C 2.634 179.150 176.870 -0.589 0.000 1.153 286 L CA 0.319 54.737 54.840 -0.703 0.000 0.851 286 L CB -0.302 41.358 42.059 -0.665 0.000 0.959 286 L HN 0.491 nan 8.230 nan 0.000 0.451 287 I N -0.788 119.348 120.570 -0.724 0.000 2.584 287 I HA -0.072 4.099 4.170 0.001 0.000 0.255 287 I C 1.143 177.029 176.117 -0.383 0.000 1.145 287 I CA 0.915 61.849 61.300 -0.609 0.000 1.462 287 I CB -0.471 37.044 38.000 -0.809 0.000 1.102 287 I HN 0.122 nan 8.210 nan 0.000 0.433 288 R N 1.912 122.243 120.500 -0.281 0.000 2.402 288 R HA 0.399 4.739 4.340 0.001 0.000 0.290 288 R C -0.682 175.597 176.300 -0.035 0.000 1.321 288 R CA -0.140 55.885 56.100 -0.126 0.000 1.283 288 R CB 1.485 31.769 30.300 -0.026 0.000 1.111 288 R HN 0.051 nan 8.270 nan 0.000 0.578 289 V N -0.412 119.479 119.914 -0.039 0.000 2.994 289 V HA 0.527 4.647 4.120 0.001 0.000 0.318 289 V C 0.844 177.091 176.094 0.256 0.000 1.085 289 V CA -1.007 61.374 62.300 0.135 0.000 0.998 289 V CB 2.360 34.274 31.823 0.152 0.000 1.063 289 V HN 0.527 nan 8.190 nan 0.000 0.447 290 R N 0.594 121.292 120.500 0.330 0.000 2.317 290 R HA 0.383 4.724 4.340 0.001 0.000 0.208 290 R C 0.203 176.749 176.300 0.410 0.000 0.914 290 R CA 0.277 56.628 56.100 0.418 0.000 1.060 290 R CB 0.236 30.800 30.300 0.440 0.000 1.015 290 R HN 0.904 nan 8.270 nan 0.000 0.498 291 E N 0.651 121.050 120.200 0.331 0.000 2.481 291 E HA 0.184 4.535 4.350 0.001 0.000 0.301 291 E C -1.698 174.985 176.600 0.139 0.000 0.948 291 E CA -0.593 55.810 56.400 0.006 0.000 0.804 291 E CB 1.060 30.658 29.700 -0.170 0.000 1.265 291 E HN -0.017 nan 8.360 nan 0.000 0.406 292 F N -0.516 119.317 119.950 -0.195 0.000 2.668 292 F HA 0.556 5.083 4.527 0.001 0.000 0.309 292 F C -0.889 174.790 175.800 -0.201 0.000 1.117 292 F CA -0.959 56.949 58.000 -0.153 0.000 0.951 292 F CB 1.331 40.280 39.000 -0.085 0.000 1.323 292 F HN 0.036 nan 8.300 nan 0.000 0.451 293 T N 4.001 118.486 114.554 -0.115 0.000 2.771 293 T HA 0.645 4.995 4.350 0.001 0.000 0.291 293 T C -0.284 174.350 174.700 -0.110 0.000 0.954 293 T CA -0.345 61.630 62.100 -0.208 0.000 1.045 293 T CB 0.638 69.363 68.868 -0.237 0.000 0.917 293 T HN 0.771 nan 8.240 nan 0.000 0.484 294 M N 1.402 120.897 119.600 -0.176 0.000 2.575 294 M HA 0.899 5.380 4.480 0.001 0.000 0.284 294 M C -1.614 174.526 176.300 -0.267 0.000 1.253 294 M CA -1.258 53.970 55.300 -0.120 0.000 0.861 294 M CB 2.139 34.777 32.600 0.064 0.000 1.733 294 M HN 0.463 nan 8.290 nan 0.000 0.462 295 A N 1.512 124.103 122.820 -0.382 0.000 2.330 295 A HA 0.774 5.095 4.320 0.001 0.000 0.313 295 A C -1.222 176.197 177.584 -0.276 0.000 1.124 295 A CA -0.526 51.147 52.037 -0.607 0.000 0.774 295 A CB 0.985 19.008 19.000 -1.628 0.000 1.198 295 A HN 0.897 nan 8.150 nan 0.000 0.465 296 E N 1.964 122.073 120.200 -0.151 0.000 2.210 296 E HA 0.526 4.877 4.350 0.001 0.000 0.266 296 E C -1.140 175.440 176.600 -0.033 0.000 0.883 296 E CA -0.380 56.005 56.400 -0.025 0.000 0.761 296 E CB 2.262 31.924 29.700 -0.063 0.000 1.156 296 E HN 0.646 nan 8.360 nan 0.000 0.412 297 I N 2.210 122.771 120.570 -0.014 0.000 2.460 297 I HA 0.221 4.391 4.170 0.001 0.000 0.298 297 I C -0.064 175.960 176.117 -0.156 0.000 0.989 297 I CA -0.696 60.543 61.300 -0.101 0.000 1.173 297 I CB 1.321 39.193 38.000 -0.213 0.000 1.338 297 I HN 0.313 nan 8.210 nan 0.000 0.456 298 E N 4.827 124.880 120.200 -0.245 0.000 2.683 298 E HA 0.161 4.512 4.350 0.001 0.000 0.224 298 E C -0.584 175.678 176.600 -0.564 0.000 1.046 298 E CA -0.356 55.780 56.400 -0.439 0.000 0.811 298 E CB 0.308 29.620 29.700 -0.647 0.000 1.296 298 E HN 0.386 nan 8.360 nan 0.000 0.421 299 H N 2.704 121.580 119.070 -0.324 0.000 2.955 299 H HA 0.091 4.648 4.556 0.001 0.000 0.290 299 H C -0.822 174.344 175.328 -0.270 0.000 1.047 299 H CA 0.062 56.018 56.048 -0.153 0.000 1.484 299 H CB 0.120 30.074 29.762 0.319 0.000 1.501 299 H HN 0.145 nan 8.280 nan 0.000 0.521 300 F N 5.475 125.190 119.950 -0.391 0.000 2.303 300 F HA 0.196 4.724 4.527 0.001 0.000 0.368 300 F C 0.215 175.953 175.800 -0.102 0.000 1.105 300 F CA -0.340 57.558 58.000 -0.171 0.000 1.153 300 F CB 0.830 39.685 39.000 -0.242 0.000 1.362 300 F HN 0.190 nan 8.300 nan 0.000 0.511 301 V N 2.934 122.963 119.914 0.192 0.000 2.881 301 V HA 0.321 4.442 4.120 0.001 0.000 0.316 301 V C -0.279 175.926 176.094 0.185 0.000 1.070 301 V CA -0.792 61.608 62.300 0.166 0.000 0.976 301 V CB 1.974 33.911 31.823 0.190 0.000 1.038 301 V HN 0.537 nan 8.190 nan 0.000 0.446 302 D N 5.525 126.013 120.400 0.145 0.000 2.488 302 D HA 0.063 4.704 4.640 0.001 0.000 0.238 302 D C -1.537 174.821 176.300 0.098 0.000 1.138 302 D CA -0.998 53.073 54.000 0.117 0.000 0.873 302 D CB 1.814 42.666 40.800 0.087 0.000 1.183 302 D HN 0.379 nan 8.370 nan 0.000 0.458 303 P HA -0.112 nan 4.420 nan 0.000 0.228 303 P C 0.793 178.125 177.300 0.053 0.000 1.151 303 P CA 0.816 63.958 63.100 0.070 0.000 0.770 303 P CB 0.231 31.967 31.700 0.059 0.000 0.786 304 S N -2.061 113.668 115.700 0.048 0.000 2.512 304 S HA 0.153 4.623 4.470 0.001 0.000 0.216 304 S C 1.378 175.996 174.600 0.030 0.000 1.006 304 S CA -0.245 57.976 58.200 0.034 0.000 0.915 304 S CB -0.272 62.946 63.200 0.029 0.000 0.824 304 S HN -0.067 nan 8.310 nan 0.000 0.497 305 E N 1.663 121.887 120.200 0.039 0.000 2.474 305 E HA 0.193 4.543 4.350 0.001 0.000 0.195 305 E C -0.167 176.450 176.600 0.028 0.000 1.039 305 E CA -0.055 56.363 56.400 0.030 0.000 0.881 305 E CB -0.059 29.663 29.700 0.035 0.000 0.970 305 E HN 0.540 nan 8.360 nan 0.000 0.486 306 K N 2.082 122.505 120.400 0.038 0.000 3.119 306 K HA -0.126 4.194 4.320 0.001 0.000 0.225 306 K C -0.632 175.976 176.600 0.014 0.000 0.754 306 K CA 0.500 56.811 56.287 0.039 0.000 1.061 306 K CB -0.511 32.014 32.500 0.041 0.000 0.948 306 K HN -0.022 nan 8.250 nan 0.000 0.306 307 D N -0.179 120.225 120.400 0.006 0.000 2.479 307 D HA 0.052 4.693 4.640 0.001 0.000 0.246 307 D C -1.236 175.064 176.300 0.000 0.000 1.336 307 D CA -0.520 53.473 54.000 -0.012 0.000 0.967 307 D CB 0.611 41.394 40.800 -0.029 0.000 1.275 307 D HN 0.174 nan 8.370 nan 0.000 0.577 308 H N 3.721 122.762 119.070 -0.048 0.000 2.819 308 H HA 0.219 4.775 4.556 0.001 0.000 0.303 308 H C -1.781 173.490 175.328 -0.094 0.000 1.058 308 H CA -1.550 54.450 56.048 -0.080 0.000 1.471 308 H CB 1.521 31.191 29.762 -0.155 0.000 1.480 308 H HN 0.242 nan 8.280 nan 0.000 0.517 309 P HA 0.010 nan 4.420 nan 0.000 0.261 309 P C 0.206 177.541 177.300 0.057 0.000 1.297 309 P CA 0.989 64.094 63.100 0.008 0.000 0.757 309 P CB 0.221 31.877 31.700 -0.074 0.000 1.149 310 K N -3.752 116.691 120.400 0.071 0.000 2.601 310 K HA 0.136 4.456 4.320 0.001 0.000 0.214 310 K C 1.186 177.627 176.600 -0.265 0.000 1.628 310 K CA -0.248 55.912 56.287 -0.213 0.000 1.036 310 K CB -0.370 31.799 32.500 -0.553 0.000 1.352 310 K HN -0.058 nan 8.250 nan 0.000 0.607 311 F N 3.116 122.854 119.950 -0.353 0.000 2.127 311 F HA -0.391 4.137 4.527 0.001 0.000 0.299 311 F C 2.215 177.988 175.800 -0.044 0.000 1.068 311 F CA 1.926 59.833 58.000 -0.155 0.000 1.263 311 F CB 0.202 39.155 39.000 -0.079 0.000 1.016 311 F HN 0.047 nan 8.300 nan 0.000 0.491 312 Q N 0.624 120.572 119.800 0.247 0.000 2.291 312 Q HA -0.192 4.148 4.340 0.001 0.000 0.206 312 Q C 1.605 177.630 176.000 0.042 0.000 0.976 312 Q CA 1.795 57.706 55.803 0.181 0.000 0.875 312 Q CB -0.675 28.138 28.738 0.125 0.000 0.927 312 Q HN 0.607 nan 8.270 nan 0.000 0.450 313 N N -1.332 117.371 118.700 0.005 0.000 2.512 313 N HA -0.060 4.681 4.740 0.001 0.000 0.183 313 N C 0.357 175.856 175.510 -0.019 0.000 1.073 313 N CA 0.786 53.843 53.050 0.012 0.000 0.911 313 N CB 0.474 38.989 38.487 0.047 0.000 0.964 313 N HN 0.217 nan 8.380 nan 0.000 0.447 314 V N -4.351 115.491 119.914 -0.121 0.000 3.111 314 V HA 0.545 4.665 4.120 0.001 0.000 0.343 314 V C 0.878 176.739 176.094 -0.388 0.000 1.417 314 V CA -0.233 61.941 62.300 -0.211 0.000 1.142 314 V CB 0.204 31.903 31.823 -0.206 0.000 1.114 314 V HN -0.008 nan 8.190 nan 0.000 0.520 315 A N 0.037 122.682 122.820 -0.292 0.000 1.935 315 A HA 0.043 4.363 4.320 0.001 0.000 0.214 315 A C 1.809 179.315 177.584 -0.129 0.000 1.178 315 A CA 1.522 53.474 52.037 -0.143 0.000 0.640 315 A CB -0.351 18.801 19.000 0.254 0.000 0.825 315 A HN 0.493 nan 8.150 nan 0.000 0.447 316 D N 0.622 120.954 120.400 -0.113 0.000 2.106 316 D HA -0.106 4.534 4.640 0.001 0.000 0.191 316 D C 0.803 176.933 176.300 -0.283 0.000 0.997 316 D CA 0.620 54.532 54.000 -0.147 0.000 0.834 316 D CB -0.651 40.119 40.800 -0.049 0.000 0.956 316 D HN 0.417 nan 8.370 nan 0.000 0.448 317 L N 1.521 122.638 121.223 -0.177 0.000 2.811 317 L HA -0.172 4.169 4.340 0.001 0.000 0.304 317 L C 0.540 177.227 176.870 -0.304 0.000 1.227 317 L CA 0.820 55.569 54.840 -0.152 0.000 0.880 317 L CB -0.173 41.819 42.059 -0.111 0.000 1.169 317 L HN 0.204 nan 8.230 nan 0.000 0.498 318 H N 4.771 123.796 119.070 -0.075 0.000 2.572 318 H HA 0.361 4.918 4.556 0.001 0.000 0.248 318 H C -0.486 174.775 175.328 -0.112 0.000 1.397 318 H CA -0.665 55.334 56.048 -0.081 0.000 1.319 318 H CB 0.632 30.377 29.762 -0.029 0.000 1.452 318 H HN 0.314 nan 8.280 nan 0.000 0.535 319 L N -0.287 120.863 121.223 -0.123 0.000 2.325 319 L HA 0.400 4.740 4.340 0.001 0.000 0.278 319 L C -0.343 176.585 176.870 0.097 0.000 1.023 319 L CA -1.277 53.500 54.840 -0.105 0.000 0.811 319 L CB 0.103 41.921 42.059 -0.402 0.000 1.249 319 L HN 0.024 nan 8.230 nan 0.000 0.431 320 Y N 2.727 123.037 120.300 0.017 0.000 2.610 320 Y HA 0.445 4.996 4.550 0.001 0.000 0.332 320 Y C 0.198 176.155 175.900 0.095 0.000 1.201 320 Y CA 0.161 58.304 58.100 0.071 0.000 1.465 320 Y CB 0.330 38.850 38.460 0.101 0.000 1.283 320 Y HN 0.523 nan 8.280 nan 0.000 0.563 321 L N 3.022 124.365 121.223 0.199 0.000 2.388 321 L HA 0.364 4.705 4.340 0.001 0.000 0.264 321 L C -1.372 175.693 176.870 0.324 0.000 0.998 321 L CA -1.001 53.954 54.840 0.191 0.000 0.817 321 L CB 2.218 44.274 42.059 -0.004 0.000 1.338 321 L HN 0.590 nan 8.230 nan 0.000 0.414 322 Y N 2.494 122.952 120.300 0.264 0.000 2.490 322 Y HA 0.259 4.810 4.550 0.001 0.000 0.346 322 Y C 0.484 176.553 175.900 0.281 0.000 1.023 322 Y CA -1.004 57.214 58.100 0.196 0.000 1.142 322 Y CB 0.656 39.169 38.460 0.087 0.000 1.126 322 Y HN 0.651 nan 8.280 nan 0.000 0.647 323 S N 0.772 116.637 115.700 0.275 0.000 2.548 323 S HA -0.019 4.451 4.470 0.001 0.000 0.266 323 S C 1.596 176.130 174.600 -0.111 0.000 1.374 323 S CA 0.237 58.548 58.200 0.186 0.000 0.997 323 S CB 0.598 63.885 63.200 0.145 0.000 0.855 323 S HN 0.775 nan 8.310 nan 0.000 0.534 324 A N 0.838 123.558 122.820 -0.167 0.000 2.015 324 A HA -0.018 4.302 4.320 0.001 0.000 0.219 324 A C 2.254 179.744 177.584 -0.157 0.000 1.163 324 A CA 1.407 53.334 52.037 -0.183 0.000 0.646 324 A CB -0.601 18.291 19.000 -0.180 0.000 0.806 324 A HN 0.858 nan 8.150 nan 0.000 0.448 325 K N -0.544 119.782 120.400 -0.123 0.000 2.116 325 K HA 0.106 4.426 4.320 0.001 0.000 0.203 325 K C 1.914 178.423 176.600 -0.152 0.000 1.052 325 K CA 0.766 56.991 56.287 -0.104 0.000 0.952 325 K CB -0.168 32.298 32.500 -0.058 0.000 0.729 325 K HN 0.387 nan 8.250 nan 0.000 0.446 326 A N 1.087 123.781 122.820 -0.210 0.000 2.248 326 A HA -0.146 4.175 4.320 0.001 0.000 0.210 326 A C 1.512 178.783 177.584 -0.521 0.000 1.174 326 A CA 1.042 52.898 52.037 -0.302 0.000 0.750 326 A CB -0.219 18.600 19.000 -0.301 0.000 0.780 326 A HN 0.340 nan 8.150 nan 0.000 0.478 327 Q N -1.614 117.922 119.800 -0.439 0.000 2.499 327 Q HA 0.081 4.421 4.340 0.001 0.000 0.213 327 Q C 1.709 177.620 176.000 -0.149 0.000 0.929 327 Q CA 0.829 56.418 55.803 -0.356 0.000 0.904 327 Q CB -0.015 28.548 28.738 -0.291 0.000 1.052 327 Q HN 0.378 nan 8.270 nan 0.000 0.589 328 V N 1.501 121.345 119.914 -0.118 0.000 2.970 328 V HA -0.092 4.029 4.120 0.001 0.000 0.260 328 V C 1.663 177.727 176.094 -0.050 0.000 1.100 328 V CA 1.634 63.896 62.300 -0.064 0.000 1.122 328 V CB 0.137 31.930 31.823 -0.051 0.000 0.721 328 V HN 0.294 nan 8.190 nan 0.000 0.483 329 S N 1.135 116.792 115.700 -0.072 0.000 2.596 329 S HA 0.268 4.738 4.470 0.001 0.000 0.248 329 S C 1.282 175.855 174.600 -0.045 0.000 1.162 329 S CA 0.094 58.265 58.200 -0.049 0.000 1.185 329 S CB -0.567 62.602 63.200 -0.051 0.000 0.833 329 S HN 0.689 nan 8.310 nan 0.000 0.472 330 G N 2.708 111.487 108.800 -0.034 0.000 1.969 330 G HA2 -0.178 3.783 3.960 0.001 0.000 0.238 330 G HA3 -0.178 3.783 3.960 0.001 0.000 0.238 330 G C -0.101 174.810 174.900 0.018 0.000 0.690 330 G CA 1.028 46.127 45.100 -0.002 0.000 0.979 330 G HN 0.917 nan 8.290 nan 0.000 0.375 331 Q N -0.572 119.230 119.800 0.003 0.000 2.389 331 Q HA 0.687 5.028 4.340 0.001 0.000 0.277 331 Q C -0.095 175.982 176.000 0.128 0.000 1.082 331 Q CA -1.001 54.828 55.803 0.045 0.000 0.810 331 Q CB 1.389 30.135 28.738 0.014 0.000 1.374 331 Q HN 0.086 nan 8.270 nan 0.000 0.422 332 S N 1.047 116.844 115.700 0.163 0.000 2.566 332 S HA 0.312 4.783 4.470 0.001 0.000 0.280 332 S C 0.233 175.001 174.600 0.281 0.000 1.343 332 S CA -0.037 58.303 58.200 0.233 0.000 1.036 332 S CB 0.455 63.740 63.200 0.142 0.000 0.866 332 S HN 0.737 nan 8.310 nan 0.000 0.526 333 A N 2.683 125.726 122.820 0.373 0.000 2.425 333 A HA 0.417 4.737 4.320 0.001 0.000 0.242 333 A C 0.457 178.141 177.584 0.166 0.000 1.077 333 A CA -0.166 52.099 52.037 0.381 0.000 0.781 333 A CB 0.170 19.338 19.000 0.280 0.000 1.020 333 A HN 0.806 nan 8.150 nan 0.000 0.494 334 R N 0.023 120.581 120.500 0.097 0.000 2.720 334 R HA 0.478 4.818 4.340 0.001 0.000 0.272 334 R C -0.185 175.998 176.300 -0.195 0.000 0.991 334 R CA -0.703 55.370 56.100 -0.045 0.000 1.010 334 R CB 1.290 31.584 30.300 -0.011 0.000 1.141 334 R HN 0.699 nan 8.270 nan 0.000 0.494 335 K N 2.882 123.067 120.400 -0.359 0.000 3.127 335 K HA 0.170 4.490 4.320 0.001 0.000 0.236 335 K C 0.051 176.569 176.600 -0.137 0.000 1.271 335 K CA -0.105 55.898 56.287 -0.473 0.000 1.224 335 K CB 0.189 32.230 32.500 -0.765 0.000 1.482 335 K HN 0.496 nan 8.250 nan 0.000 0.435 336 M N 0.465 120.032 119.600 -0.054 0.000 1.658 336 M HA 0.004 4.485 4.480 0.001 0.000 0.076 336 M C 0.799 177.182 176.300 0.140 0.000 0.961 336 M CA 0.946 56.265 55.300 0.031 0.000 0.367 336 M CB 0.038 32.629 32.600 -0.014 0.000 0.573 336 M HN 0.224 nan 8.290 nan 0.000 0.216 337 R N -0.853 119.641 120.500 -0.010 0.000 2.799 337 R HA 0.420 4.760 4.340 0.001 0.000 0.270 337 R C -0.021 176.188 176.300 -0.153 0.000 1.010 337 R CA -0.648 55.312 56.100 -0.232 0.000 0.916 337 R CB 1.114 31.252 30.300 -0.270 0.000 1.228 337 R HN 0.656 nan 8.270 nan 0.000 0.469 338 L N 0.925 122.046 121.223 -0.170 0.000 2.127 338 L HA 0.144 4.485 4.340 0.001 0.000 0.203 338 L C 2.126 179.095 176.870 0.165 0.000 1.080 338 L CA 1.465 56.273 54.840 -0.054 0.000 0.768 338 L CB -0.298 41.664 42.059 -0.161 0.000 0.924 338 L HN 1.018 nan 8.230 nan 0.000 0.444 339 G N -0.467 108.439 108.800 0.177 0.000 2.479 339 G HA2 -0.279 3.681 3.960 0.001 0.000 0.220 339 G HA3 -0.279 3.681 3.960 0.001 0.000 0.220 339 G C 0.931 175.863 174.900 0.054 0.000 1.115 339 G CA 1.223 46.451 45.100 0.214 0.000 0.757 339 G HN 0.358 nan 8.290 nan 0.000 0.560 340 D N -0.058 120.355 120.400 0.023 0.000 2.290 340 D HA 0.242 4.883 4.640 0.001 0.000 0.224 340 D C 2.753 179.052 176.300 -0.002 0.000 0.967 340 D CA 0.761 54.763 54.000 0.004 0.000 0.893 340 D CB -0.166 40.639 40.800 0.008 0.000 1.037 340 D HN 0.184 nan 8.370 nan 0.000 0.477 341 A N 0.398 123.211 122.820 -0.011 0.000 2.032 341 A HA -0.167 4.153 4.320 0.001 0.000 0.221 341 A C 2.139 179.722 177.584 -0.001 0.000 1.165 341 A CA 1.198 53.223 52.037 -0.019 0.000 0.645 341 A CB -0.635 18.318 19.000 -0.079 0.000 0.807 341 A HN 0.184 nan 8.150 nan 0.000 0.453 342 V N -0.225 119.687 119.914 -0.002 0.000 2.878 342 V HA -0.101 4.020 4.120 0.001 0.000 0.250 342 V C 2.343 178.414 176.094 -0.038 0.000 1.075 342 V CA 1.398 63.685 62.300 -0.020 0.000 1.096 342 V CB -0.480 31.293 31.823 -0.083 0.000 0.724 342 V HN 0.507 nan 8.190 nan 0.000 0.467 343 E N 0.730 120.907 120.200 -0.039 0.000 2.012 343 E HA -0.287 4.064 4.350 0.001 0.000 0.197 343 E C 2.028 178.619 176.600 -0.015 0.000 1.007 343 E CA 1.408 57.787 56.400 -0.036 0.000 0.816 343 E CB -0.520 29.165 29.700 -0.025 0.000 0.762 343 E HN 0.650 nan 8.360 nan 0.000 0.451 344 Q N -0.227 119.572 119.800 -0.001 0.000 2.615 344 Q HA 0.003 4.343 4.340 0.001 0.000 0.220 344 Q C 0.958 176.970 176.000 0.020 0.000 0.981 344 Q CA 0.638 56.447 55.803 0.010 0.000 0.939 344 Q CB -0.220 28.528 28.738 0.015 0.000 0.982 344 Q HN 0.544 nan 8.270 nan 0.000 0.550 345 G N -0.863 107.949 108.800 0.020 0.000 2.179 345 G HA2 -0.333 3.628 3.960 0.001 0.000 0.260 345 G HA3 -0.333 3.628 3.960 0.001 0.000 0.260 345 G C 0.785 175.727 174.900 0.069 0.000 0.977 345 G CA 0.384 45.504 45.100 0.033 0.000 0.641 345 G HN 0.279 nan 8.290 nan 0.000 0.533 346 V N 0.816 120.787 119.914 0.095 0.000 2.227 346 V HA 0.102 4.222 4.120 0.001 0.000 0.238 346 V C 1.995 178.266 176.094 0.293 0.000 1.039 346 V CA 1.657 64.067 62.300 0.184 0.000 0.990 346 V CB -0.472 31.463 31.823 0.187 0.000 0.635 346 V HN 0.373 nan 8.190 nan 0.000 0.453 347 I N 2.331 123.045 120.570 0.240 0.000 2.349 347 I HA 0.035 4.205 4.170 0.001 0.000 0.302 347 I C 1.474 177.695 176.117 0.173 0.000 1.180 347 I CA 0.385 61.843 61.300 0.263 0.000 1.405 347 I CB -1.218 36.756 38.000 -0.043 0.000 1.474 347 I HN 0.445 nan 8.210 nan 0.000 0.632 348 N N 5.115 123.936 118.700 0.200 0.000 0.962 348 N HA -0.362 4.378 4.740 0.001 0.000 0.151 348 N C 0.853 176.393 175.510 0.050 0.000 0.260 348 N CA 2.676 55.791 53.050 0.108 0.000 0.918 348 N CB -0.027 38.529 38.487 0.114 0.000 1.592 348 N HN 0.784 nan 8.380 nan 0.000 0.963 349 N N -1.790 116.936 118.700 0.043 0.000 2.471 349 N HA 0.086 4.827 4.740 0.001 0.000 0.290 349 N C 1.083 176.569 175.510 -0.040 0.000 1.345 349 N CA 1.080 54.126 53.050 -0.008 0.000 0.920 349 N CB -0.366 38.126 38.487 0.009 0.000 1.093 349 N HN 0.567 nan 8.380 nan 0.000 0.499 350 T N -4.569 109.954 114.554 -0.052 0.000 3.026 350 T HA 0.170 4.521 4.350 0.001 0.000 0.245 350 T C 1.718 176.571 174.700 0.255 0.000 1.004 350 T CA 0.082 62.164 62.100 -0.030 0.000 1.069 350 T CB -0.706 67.971 68.868 -0.318 0.000 1.005 350 T HN 0.102 nan 8.240 nan 0.000 0.472 351 V N 2.050 122.026 119.914 0.102 0.000 2.219 351 V HA -0.128 3.992 4.120 0.001 0.000 0.248 351 V C 2.617 178.614 176.094 -0.161 0.000 1.053 351 V CA 2.229 64.511 62.300 -0.031 0.000 1.009 351 V CB -0.840 30.924 31.823 -0.099 0.000 0.636 351 V HN 0.478 nan 8.190 nan 0.000 0.445 352 L N 0.573 121.763 121.223 -0.055 0.000 2.270 352 L HA -0.164 4.177 4.340 0.001 0.000 0.217 352 L C 2.008 178.889 176.870 0.018 0.000 1.107 352 L CA 2.209 57.057 54.840 0.014 0.000 0.772 352 L CB -0.754 41.372 42.059 0.111 0.000 0.902 352 L HN 0.364 nan 8.230 nan 0.000 0.439 353 G N -2.604 106.250 108.800 0.090 0.000 2.545 353 G HA2 -0.239 3.721 3.960 0.001 0.000 0.212 353 G HA3 -0.239 3.721 3.960 0.001 0.000 0.212 353 G C 1.331 176.163 174.900 -0.112 0.000 1.144 353 G CA 0.440 45.585 45.100 0.076 0.000 0.813 353 G HN 0.448 nan 8.290 nan 0.000 0.531 354 Y N 1.195 121.355 120.300 -0.235 0.000 2.114 354 Y HA 0.022 4.572 4.550 0.001 0.000 0.284 354 Y C 2.321 178.149 175.900 -0.120 0.000 1.143 354 Y CA 1.100 58.958 58.100 -0.403 0.000 1.135 354 Y CB -0.607 37.508 38.460 -0.574 0.000 0.980 354 Y HN 0.211 nan 8.280 nan 0.000 0.499 355 F N -0.313 119.438 119.950 -0.330 0.000 2.202 355 F HA -0.269 4.259 4.527 0.001 0.000 0.301 355 F C 2.424 178.112 175.800 -0.187 0.000 1.082 355 F CA 0.835 58.642 58.000 -0.321 0.000 1.313 355 F CB -0.304 38.604 39.000 -0.152 0.000 1.024 355 F HN 0.104 nan 8.300 nan 0.000 0.495 356 I N -0.031 120.526 120.570 -0.022 0.000 2.361 356 I HA -0.220 3.951 4.170 0.001 0.000 0.251 356 I C 2.695 178.706 176.117 -0.176 0.000 1.133 356 I CA 1.304 62.485 61.300 -0.199 0.000 1.413 356 I CB -0.825 36.863 38.000 -0.521 0.000 1.073 356 I HN 0.124 nan 8.210 nan 0.000 0.424 357 G N 0.605 109.286 108.800 -0.199 0.000 2.404 357 G HA2 -0.173 3.788 3.960 0.001 0.000 0.215 357 G HA3 -0.173 3.788 3.960 0.001 0.000 0.215 357 G C 1.796 176.715 174.900 0.033 0.000 1.174 357 G CA 0.166 45.188 45.100 -0.130 0.000 0.780 357 G HN 0.193 nan 8.290 nan 0.000 0.537 358 R N 0.210 120.674 120.500 -0.060 0.000 2.070 358 R HA 0.051 4.391 4.340 0.001 0.000 0.232 358 R C 2.605 179.179 176.300 0.457 0.000 1.138 358 R CA 0.969 57.128 56.100 0.098 0.000 0.936 358 R CB -0.927 29.344 30.300 -0.047 0.000 0.839 358 R HN 0.370 nan 8.270 nan 0.000 0.429 359 I N 0.324 121.175 120.570 0.467 0.000 2.229 359 I HA -0.357 3.813 4.170 0.001 0.000 0.250 359 I C 2.442 178.873 176.117 0.522 0.000 1.096 359 I CA 1.647 63.290 61.300 0.571 0.000 1.358 359 I CB -0.359 37.876 38.000 0.392 0.000 1.047 359 I HN 0.171 nan 8.210 nan 0.000 0.422 360 Y N 1.265 121.771 120.300 0.343 0.000 2.337 360 Y HA -0.087 4.464 4.550 0.001 0.000 0.293 360 Y C 2.192 178.213 175.900 0.201 0.000 1.123 360 Y CA 1.227 59.506 58.100 0.299 0.000 1.201 360 Y CB -0.075 38.531 38.460 0.242 0.000 1.011 360 Y HN 0.002 nan 8.280 nan 0.000 0.545 361 L N -1.253 120.042 121.223 0.119 0.000 2.027 361 L HA -0.212 4.129 4.340 0.001 0.000 0.206 361 L C 2.284 179.072 176.870 -0.136 0.000 1.074 361 L CA 1.738 56.579 54.840 0.002 0.000 0.745 361 L CB -1.223 40.967 42.059 0.219 0.000 0.898 361 L HN 0.245 nan 8.230 nan 0.000 0.433 362 Y N 1.375 121.482 120.300 -0.322 0.000 2.128 362 Y HA -0.246 4.304 4.550 0.001 0.000 0.284 362 Y C 2.369 178.117 175.900 -0.252 0.000 1.154 362 Y CA 1.462 59.185 58.100 -0.628 0.000 1.149 362 Y CB -0.483 37.708 38.460 -0.449 0.000 0.976 362 Y HN -0.020 nan 8.280 nan 0.000 0.505 363 L N -0.773 120.325 121.223 -0.209 0.000 2.265 363 L HA -0.221 4.119 4.340 0.001 0.000 0.215 363 L C 2.168 178.833 176.870 -0.342 0.000 1.117 363 L CA 1.632 56.294 54.840 -0.297 0.000 0.782 363 L CB -0.655 41.352 42.059 -0.087 0.000 0.914 363 L HN 0.274 nan 8.230 nan 0.000 0.441 364 T N -1.112 113.209 114.554 -0.387 0.000 2.781 364 T HA -0.154 4.196 4.350 0.001 0.000 0.252 364 T C 1.881 176.434 174.700 -0.246 0.000 1.039 364 T CA 0.835 62.736 62.100 -0.332 0.000 1.147 364 T CB -0.010 68.620 68.868 -0.397 0.000 0.865 364 T HN 0.161 nan 8.240 nan 0.000 0.423 365 K N 0.933 121.181 120.400 -0.254 0.000 2.127 365 K HA -0.123 4.198 4.320 0.001 0.000 0.208 365 K C 1.821 178.285 176.600 -0.228 0.000 1.047 365 K CA 1.239 57.406 56.287 -0.199 0.000 0.927 365 K CB -0.214 32.170 32.500 -0.193 0.000 0.716 365 K HN 0.163 nan 8.250 nan 0.000 0.450 366 V N -1.292 118.396 119.914 -0.377 0.000 3.406 366 V HA 0.147 4.267 4.120 0.001 0.000 0.263 366 V C 1.459 177.380 176.094 -0.288 0.000 1.172 366 V CA 1.121 63.194 62.300 -0.379 0.000 1.140 366 V CB 0.521 31.965 31.823 -0.631 0.000 0.784 366 V HN 0.701 nan 8.190 nan 0.000 0.467 367 G N -0.334 108.330 108.800 -0.227 0.000 4.077 367 G HA2 -0.087 3.873 3.960 0.001 0.000 0.199 367 G HA3 -0.087 3.873 3.960 0.001 0.000 0.199 367 G C 0.122 174.977 174.900 -0.074 0.000 1.302 367 G CA -0.285 44.736 45.100 -0.132 0.000 0.918 367 G HN 0.162 nan 8.290 nan 0.000 0.369 368 I N 2.769 123.260 120.570 -0.132 0.000 3.017 368 I HA 0.123 4.293 4.170 0.001 0.000 0.310 368 I C 0.457 176.647 176.117 0.121 0.000 1.220 368 I CA 0.883 62.195 61.300 0.020 0.000 1.450 368 I CB 0.126 38.067 38.000 -0.097 0.000 1.317 368 I HN 0.166 nan 8.210 nan 0.000 0.570 369 S N 7.572 123.446 115.700 0.289 0.000 2.480 369 S HA 0.264 4.735 4.470 0.001 0.000 0.286 369 S C -1.268 173.368 174.600 0.061 0.000 1.180 369 S CA -0.983 57.255 58.200 0.063 0.000 1.075 369 S CB 1.688 64.851 63.200 -0.062 0.000 0.996 369 S HN 0.449 nan 8.310 nan 0.000 0.487 370 P HA -0.302 nan 4.420 nan 0.000 0.224 370 P C 1.416 178.773 177.300 0.095 0.000 1.153 370 P CA 1.723 64.955 63.100 0.221 0.000 0.947 370 P CB -0.035 31.805 31.700 0.235 0.000 0.790 371 D N 0.007 120.402 120.400 -0.009 0.000 2.172 371 D HA -0.217 4.423 4.640 0.001 0.000 0.196 371 D C 0.839 177.030 176.300 -0.182 0.000 0.999 371 D CA 1.666 55.593 54.000 -0.122 0.000 0.856 371 D CB -0.782 39.963 40.800 -0.093 0.000 0.934 371 D HN 0.257 nan 8.370 nan 0.000 0.453 372 K N -0.492 119.804 120.400 -0.173 0.000 2.681 372 K HA 0.299 4.620 4.320 0.001 0.000 0.211 372 K C -0.508 176.119 176.600 0.045 0.000 1.075 372 K CA -0.473 55.696 56.287 -0.196 0.000 1.141 372 K CB 0.565 32.828 32.500 -0.394 0.000 0.896 372 K HN 0.078 nan 8.250 nan 0.000 0.470 373 L N 0.798 122.104 121.223 0.137 0.000 2.410 373 L HA 0.490 4.830 4.340 0.001 0.000 0.270 373 L C -1.028 175.966 176.870 0.207 0.000 0.983 373 L CA -0.528 54.437 54.840 0.207 0.000 0.822 373 L CB 1.194 43.387 42.059 0.224 0.000 1.285 373 L HN 0.203 nan 8.230 nan 0.000 0.409 374 R N 2.674 123.275 120.500 0.168 0.000 2.831 374 R HA 0.692 5.033 4.340 0.001 0.000 0.266 374 R C -1.798 174.469 176.300 -0.054 0.000 1.051 374 R CA -0.764 55.409 56.100 0.121 0.000 0.943 374 R CB 1.227 31.503 30.300 -0.040 0.000 1.228 374 R HN 0.377 nan 8.270 nan 0.000 0.467 375 F N 0.734 120.756 119.950 0.120 0.000 2.434 375 F HA 0.469 4.997 4.527 0.001 0.000 0.355 375 F C 0.027 176.060 175.800 0.389 0.000 1.115 375 F CA -0.589 57.519 58.000 0.181 0.000 1.010 375 F CB 1.884 40.885 39.000 0.001 0.000 1.234 375 F HN 0.358 nan 8.300 nan 0.000 0.439 376 R N 4.216 125.029 120.500 0.523 0.000 2.246 376 R HA 0.290 4.631 4.340 0.001 0.000 0.332 376 R C -0.188 176.396 176.300 0.473 0.000 0.974 376 R CA -0.438 55.988 56.100 0.543 0.000 0.837 376 R CB 0.981 31.460 30.300 0.299 0.000 1.145 376 R HN 0.770 nan 8.270 nan 0.000 0.467 377 Q N 3.087 122.966 119.800 0.132 0.000 2.454 377 Q HA 0.026 4.367 4.340 0.001 0.000 0.247 377 Q C -0.396 175.544 176.000 -0.101 0.000 1.028 377 Q CA 0.006 55.462 55.803 -0.578 0.000 0.910 377 Q CB 0.689 28.424 28.738 -1.671 0.000 1.276 377 Q HN 0.684 nan 8.270 nan 0.000 0.489 378 H N 0.615 119.527 119.070 -0.264 0.000 2.307 378 H HA 0.176 4.733 4.556 0.001 0.000 0.349 378 H C -0.128 175.105 175.328 -0.158 0.000 1.754 378 H CA -0.635 55.324 56.048 -0.148 0.000 1.431 378 H CB 0.594 30.285 29.762 -0.117 0.000 1.666 378 H HN 0.455 nan 8.280 nan 0.000 0.582 379 M N 0.717 120.327 119.600 0.015 0.000 2.508 379 M HA 0.075 4.555 4.480 0.001 0.000 0.327 379 M C 1.245 177.527 176.300 -0.029 0.000 1.160 379 M CA -0.177 55.098 55.300 -0.041 0.000 0.980 379 M CB 1.629 34.193 32.600 -0.061 0.000 1.693 379 M HN 0.737 nan 8.290 nan 0.000 0.452 380 E N 1.900 122.076 120.200 -0.040 0.000 2.301 380 E HA -0.289 4.061 4.350 0.001 0.000 0.224 380 E C 0.573 177.161 176.600 -0.021 0.000 1.092 380 E CA 2.488 58.869 56.400 -0.032 0.000 0.913 380 E CB -0.075 29.609 29.700 -0.025 0.000 0.776 380 E HN 0.791 nan 8.360 nan 0.000 0.465 381 N N -1.423 117.268 118.700 -0.015 0.000 2.365 381 N HA 0.063 4.803 4.740 0.001 0.000 0.257 381 N C 0.756 176.254 175.510 -0.019 0.000 1.287 381 N CA -0.128 52.916 53.050 -0.011 0.000 0.882 381 N CB 0.583 39.074 38.487 0.006 0.000 1.250 381 N HN -0.012 nan 8.380 nan 0.000 0.507 382 E N 0.584 120.767 120.200 -0.028 0.000 2.474 382 E HA 0.096 4.447 4.350 0.001 0.000 0.195 382 E C 0.227 176.810 176.600 -0.029 0.000 1.039 382 E CA -0.389 55.966 56.400 -0.074 0.000 0.881 382 E CB 0.282 29.900 29.700 -0.136 0.000 0.970 382 E HN 0.319 nan 8.360 nan 0.000 0.486 383 M N 1.254 120.876 119.600 0.037 0.000 2.243 383 M HA 0.042 4.522 4.480 0.001 0.000 0.309 383 M C -0.096 176.195 176.300 -0.014 0.000 1.050 383 M CA 0.268 55.612 55.300 0.074 0.000 1.139 383 M CB 0.796 33.389 32.600 -0.012 0.000 1.457 383 M HN 0.085 nan 8.290 nan 0.000 0.440 384 A N 1.720 124.502 122.820 -0.063 0.000 2.286 384 A HA 0.342 4.663 4.320 0.001 0.000 0.286 384 A C 0.577 177.925 177.584 -0.393 0.000 1.097 384 A CA -0.034 51.824 52.037 -0.298 0.000 0.821 384 A CB -0.115 18.574 19.000 -0.518 0.000 1.076 384 A HN 1.105 nan 8.150 nan 0.000 0.490 385 H N -0.610 118.181 119.070 -0.465 0.000 2.518 385 H HA -0.170 4.386 4.556 0.001 0.000 0.289 385 H C 0.616 175.664 175.328 -0.467 0.000 1.051 385 H CA 2.330 58.145 56.048 -0.389 0.000 1.280 385 H CB -0.505 29.060 29.762 -0.327 0.000 1.380 385 H HN 0.752 nan 8.280 nan 0.000 0.566 386 Y N -0.838 118.947 120.300 -0.857 0.000 2.485 386 Y HA 0.737 5.287 4.550 0.001 0.000 0.260 386 Y C 0.556 176.230 175.900 -0.376 0.000 1.173 386 Y CA -1.410 56.282 58.100 -0.679 0.000 1.252 386 Y CB -0.671 37.612 38.460 -0.296 0.000 1.123 386 Y HN 0.433 nan 8.280 nan 0.000 0.524 387 A N -0.402 122.377 122.820 -0.068 0.000 2.486 387 A HA 0.688 5.009 4.320 0.001 0.000 0.289 387 A C 0.500 178.037 177.584 -0.078 0.000 1.176 387 A CA -0.066 51.964 52.037 -0.012 0.000 0.757 387 A CB 0.495 19.539 19.000 0.073 0.000 1.337 387 A HN 0.520 nan 8.150 nan 0.000 0.423 388 C N -2.047 117.222 119.300 -0.051 0.000 3.054 388 C HA 0.530 4.991 4.460 0.001 0.000 0.527 388 C C 0.423 175.369 174.990 -0.073 0.000 1.347 388 C CA 0.598 59.581 59.018 -0.058 0.000 2.453 388 C CB -0.545 27.173 27.740 -0.036 0.000 3.406 388 C HN 0.846 nan 8.230 nan 0.000 0.562 389 D N -0.466 119.889 120.400 -0.075 0.000 2.450 389 D HA 0.642 5.283 4.640 0.001 0.000 0.238 389 D C -1.088 175.106 176.300 -0.176 0.000 1.020 389 D CA -0.040 53.886 54.000 -0.124 0.000 1.010 389 D CB 2.154 42.917 40.800 -0.062 0.000 1.342 389 D HN 0.734 nan 8.370 nan 0.000 0.530 390 C N 1.910 121.026 119.300 -0.307 0.000 3.046 390 C HA 0.470 4.930 4.460 0.001 0.000 0.418 390 C C -2.092 172.631 174.990 -0.445 0.000 1.005 390 C CA -0.786 58.027 59.018 -0.342 0.000 1.060 390 C CB -0.960 26.457 27.740 -0.539 0.000 1.496 390 C HN 0.648 nan 8.230 nan 0.000 0.614 391 W N 3.163 124.423 121.300 -0.066 0.000 2.820 391 W HA 0.698 5.359 4.660 0.001 0.000 0.350 391 W C -0.363 176.238 176.519 0.137 0.000 1.116 391 W CA 0.074 57.470 57.345 0.086 0.000 1.146 391 W CB 1.380 30.946 29.460 0.177 0.000 1.433 391 W HN 0.666 nan 8.180 nan 0.000 0.561 392 D N 0.087 120.798 120.400 0.519 0.000 2.547 392 D HA 0.571 5.211 4.640 0.001 0.000 0.231 392 D C -1.207 175.121 176.300 0.047 0.000 1.099 392 D CA -0.697 53.469 54.000 0.277 0.000 0.901 392 D CB 1.987 42.930 40.800 0.239 0.000 1.478 392 D HN 0.328 nan 8.370 nan 0.000 0.471 393 A N 1.513 124.215 122.820 -0.197 0.000 2.322 393 A HA 0.438 4.758 4.320 0.001 0.000 0.327 393 A C -0.210 177.217 177.584 -0.262 0.000 1.394 393 A CA -0.557 51.107 52.037 -0.622 0.000 0.921 393 A CB 0.158 18.867 19.000 -0.485 0.000 1.153 393 A HN 0.366 nan 8.150 nan 0.000 0.523 394 E N 1.566 121.665 120.200 -0.167 0.000 2.216 394 E HA 0.459 4.809 4.350 0.001 0.000 0.279 394 E C -0.354 176.341 176.600 0.159 0.000 0.997 394 E CA -0.496 55.938 56.400 0.057 0.000 0.817 394 E CB 1.584 31.380 29.700 0.160 0.000 1.096 394 E HN 0.618 nan 8.360 nan 0.000 0.393 395 S N 2.841 118.609 115.700 0.113 0.000 2.530 395 S HA 0.260 4.731 4.470 0.001 0.000 0.322 395 S C -0.158 174.406 174.600 -0.060 0.000 1.085 395 S CA -1.107 57.123 58.200 0.049 0.000 1.096 395 S CB 1.317 64.462 63.200 -0.092 0.000 0.988 395 S HN 0.235 nan 8.310 nan 0.000 0.466 396 K N 2.734 122.915 120.400 -0.365 0.000 2.451 396 K HA 0.298 4.618 4.320 0.001 0.000 0.280 396 K C 0.373 176.804 176.600 -0.282 0.000 1.020 396 K CA 0.612 56.394 56.287 -0.841 0.000 1.008 396 K CB 0.438 32.070 32.500 -1.447 0.000 0.917 396 K HN 1.040 nan 8.250 nan 0.000 0.478 397 T N -1.466 112.955 114.554 -0.223 0.000 2.731 397 T HA 0.164 4.515 4.350 0.001 0.000 0.300 397 T C 1.013 175.720 174.700 0.010 0.000 1.283 397 T CA -0.085 62.005 62.100 -0.018 0.000 1.005 397 T CB 0.620 69.546 68.868 0.097 0.000 1.420 397 T HN 0.308 nan 8.240 nan 0.000 0.503 398 S N -0.484 115.283 115.700 0.112 0.000 2.493 398 S HA -0.106 4.364 4.470 0.001 0.000 0.243 398 S C 0.919 175.539 174.600 0.032 0.000 0.991 398 S CA 0.842 59.080 58.200 0.063 0.000 0.957 398 S CB -0.930 62.326 63.200 0.092 0.000 0.756 398 S HN 0.703 nan 8.310 nan 0.000 0.521 399 Y N 2.160 122.433 120.300 -0.045 0.000 2.507 399 Y HA 0.478 5.028 4.550 0.001 0.000 0.254 399 Y C 1.516 177.374 175.900 -0.071 0.000 1.171 399 Y CA -0.284 57.777 58.100 -0.065 0.000 1.238 399 Y CB 0.142 38.549 38.460 -0.089 0.000 1.148 399 Y HN 0.517 nan 8.280 nan 0.000 0.525 400 G N -0.736 108.086 108.800 0.037 0.000 2.746 400 G HA2 -0.241 3.720 3.960 0.001 0.000 0.685 400 G HA3 -0.241 3.720 3.960 0.001 0.000 0.685 400 G C -0.823 174.070 174.900 -0.012 0.000 1.350 400 G CA -1.184 43.908 45.100 -0.014 0.000 0.837 400 G HN 0.194 nan 8.290 nan 0.000 0.564 401 W N 0.077 121.373 121.300 -0.007 0.000 2.347 401 W HA 0.461 5.122 4.660 0.001 0.000 0.333 401 W C 1.311 177.813 176.519 -0.030 0.000 1.383 401 W CA 0.666 57.996 57.345 -0.025 0.000 1.283 401 W CB -0.018 29.407 29.460 -0.057 0.000 1.253 401 W HN 0.618 nan 8.180 nan 0.000 0.563 402 I N 0.297 120.958 120.570 0.151 0.000 2.730 402 I HA 0.499 4.670 4.170 0.001 0.000 0.298 402 I C -0.221 175.918 176.117 0.036 0.000 1.089 402 I CA -1.592 59.743 61.300 0.059 0.000 1.041 402 I CB 2.051 40.033 38.000 -0.030 0.000 1.235 402 I HN 0.513 nan 8.210 nan 0.000 0.423 403 E N 5.309 125.518 120.200 0.014 0.000 2.313 403 E HA 0.331 4.681 4.350 0.001 0.000 0.276 403 E C 0.120 176.688 176.600 -0.052 0.000 1.031 403 E CA -0.605 55.792 56.400 -0.005 0.000 0.857 403 E CB 1.970 31.686 29.700 0.027 0.000 1.040 403 E HN 0.879 nan 8.360 nan 0.000 0.408 404 I N -0.489 120.036 120.570 -0.076 0.000 4.244 404 I HA 0.188 4.359 4.170 0.001 0.000 0.318 404 I C -0.138 175.918 176.117 -0.101 0.000 1.282 404 I CA -0.455 60.788 61.300 -0.095 0.000 1.276 404 I CB 0.932 38.868 38.000 -0.107 0.000 1.183 404 I HN 0.218 nan 8.210 nan 0.000 0.431 405 V N 3.218 123.049 119.914 -0.139 0.000 2.465 405 V HA 0.525 4.646 4.120 0.001 0.000 0.263 405 V C 0.597 176.604 176.094 -0.145 0.000 0.981 405 V CA -0.639 61.506 62.300 -0.258 0.000 0.838 405 V CB 0.527 32.075 31.823 -0.459 0.000 1.068 405 V HN 0.344 nan 8.190 nan 0.000 0.458 406 G N 1.302 110.075 108.800 -0.044 0.000 2.340 406 G HA2 0.253 4.214 3.960 0.001 0.000 0.245 406 G HA3 0.253 4.214 3.960 0.001 0.000 0.245 406 G C -0.100 174.830 174.900 0.050 0.000 1.294 406 G CA 0.064 45.198 45.100 0.058 0.000 0.896 406 G HN 0.750 nan 8.290 nan 0.000 0.522 407 C N 4.015 123.384 119.300 0.114 0.000 2.647 407 C HA 0.724 5.184 4.460 0.001 0.000 0.273 407 C C 0.940 176.007 174.990 0.129 0.000 1.088 407 C CA -0.350 58.749 59.018 0.136 0.000 1.529 407 C CB -1.351 26.517 27.740 0.213 0.000 1.810 407 C HN 1.027 nan 8.230 nan 0.000 0.422 408 A N 2.733 125.606 122.820 0.089 0.000 2.251 408 A HA 0.514 4.835 4.320 0.001 0.000 0.278 408 A C 0.754 178.384 177.584 0.076 0.000 1.206 408 A CA 0.215 52.284 52.037 0.053 0.000 0.822 408 A CB 0.273 19.323 19.000 0.084 0.000 1.187 408 A HN 0.769 nan 8.150 nan 0.000 0.504 409 D N -1.028 119.404 120.400 0.053 0.000 2.712 409 D HA 0.024 4.664 4.640 0.001 0.000 0.300 409 D C -0.007 176.328 176.300 0.058 0.000 1.521 409 D CA -0.255 53.786 54.000 0.069 0.000 0.790 409 D CB -0.019 40.819 40.800 0.064 0.000 1.155 409 D HN 0.606 nan 8.370 nan 0.000 0.456 410 R N 0.990 121.523 120.500 0.055 0.000 4.266 410 R HA -0.122 4.218 4.340 0.001 0.000 0.146 410 R C 1.400 177.744 176.300 0.074 0.000 1.642 410 R CA 0.764 56.902 56.100 0.063 0.000 1.295 410 R CB -1.298 29.024 30.300 0.037 0.000 1.220 410 R HN 0.092 nan 8.270 nan 0.000 0.614 411 S N 0.984 116.726 115.700 0.070 0.000 1.803 411 S HA -0.432 4.038 4.470 0.001 0.000 0.531 411 S C 1.612 176.259 174.600 0.078 0.000 0.919 411 S CA 1.587 59.832 58.200 0.075 0.000 3.338 411 S CB -1.198 62.039 63.200 0.062 0.000 2.326 411 S HN 0.994 nan 8.310 nan 0.000 0.574 412 C N -1.670 117.675 119.300 0.075 0.000 3.255 412 C HA 0.586 5.046 4.460 0.001 0.000 0.282 412 C C 1.632 176.642 174.990 0.033 0.000 1.441 412 C CA -0.471 58.571 59.018 0.041 0.000 1.785 412 C CB -2.041 25.716 27.740 0.027 0.000 2.583 412 C HN 0.650 nan 8.230 nan 0.000 0.615 413 Y N 2.999 123.267 120.300 -0.054 0.000 1.993 413 Y HA -0.244 4.307 4.550 0.001 0.000 0.237 413 Y C 2.308 178.152 175.900 -0.094 0.000 1.071 413 Y CA 2.305 60.376 58.100 -0.050 0.000 1.046 413 Y CB -0.415 38.039 38.460 -0.011 0.000 0.949 413 Y HN 0.229 nan 8.280 nan 0.000 0.497 414 D N 0.127 120.355 120.400 -0.287 0.000 2.242 414 D HA -0.279 4.361 4.640 0.001 0.000 0.190 414 D C 2.013 178.130 176.300 -0.306 0.000 1.012 414 D CA 2.158 55.917 54.000 -0.402 0.000 0.875 414 D CB -0.390 40.053 40.800 -0.594 0.000 0.922 414 D HN 0.333 nan 8.370 nan 0.000 0.448 415 L N 0.726 121.734 121.223 -0.359 0.000 2.093 415 L HA -0.097 4.244 4.340 0.001 0.000 0.208 415 L C 2.442 179.221 176.870 -0.153 0.000 1.085 415 L CA 1.352 56.059 54.840 -0.222 0.000 0.755 415 L CB -0.203 41.704 42.059 -0.253 0.000 0.904 415 L HN -0.146 nan 8.230 nan 0.000 0.435 416 S N -1.863 113.732 115.700 -0.175 0.000 2.387 416 S HA -0.161 4.309 4.470 0.001 0.000 0.226 416 S C 2.065 176.567 174.600 -0.163 0.000 1.026 416 S CA 1.189 59.305 58.200 -0.140 0.000 0.972 416 S CB -0.577 62.560 63.200 -0.105 0.000 0.814 416 S HN 0.569 nan 8.310 nan 0.000 0.477 417 C N 1.274 120.404 119.300 -0.285 0.000 2.413 417 C HA -0.078 4.383 4.460 0.001 0.000 0.276 417 C C 2.542 177.347 174.990 -0.309 0.000 1.248 417 C CA 0.415 59.218 59.018 -0.358 0.000 1.742 417 C CB -1.450 25.914 27.740 -0.626 0.000 2.017 417 C HN 0.610 nan 8.230 nan 0.000 0.481 418 H N 0.560 119.553 119.070 -0.128 0.000 2.343 418 H HA 0.016 4.573 4.556 0.001 0.000 0.303 418 H C 2.532 177.833 175.328 -0.045 0.000 1.068 418 H CA 1.697 57.711 56.048 -0.056 0.000 1.359 418 H CB -0.729 29.023 29.762 -0.018 0.000 1.402 418 H HN 0.473 nan 8.280 nan 0.000 0.515 419 A N 1.849 124.699 122.820 0.050 0.000 1.917 419 A HA -0.225 4.096 4.320 0.001 0.000 0.219 419 A C 2.448 180.027 177.584 -0.008 0.000 1.182 419 A CA 1.362 53.403 52.037 0.006 0.000 0.633 419 A CB -0.440 18.534 19.000 -0.044 0.000 0.819 419 A HN 0.312 nan 8.150 nan 0.000 0.448 420 R N -0.993 119.487 120.500 -0.034 0.000 2.234 420 R HA -0.058 4.282 4.340 0.001 0.000 0.209 420 R C 2.485 178.773 176.300 -0.019 0.000 1.077 420 R CA 1.131 57.210 56.100 -0.035 0.000 0.866 420 R CB -0.889 29.377 30.300 -0.057 0.000 0.764 420 R HN 0.457 nan 8.270 nan 0.000 0.459 421 A N 0.495 123.296 122.820 -0.032 0.000 2.096 421 A HA -0.281 4.040 4.320 0.001 0.000 0.225 421 A C 2.090 179.684 177.584 0.016 0.000 1.192 421 A CA 2.634 54.663 52.037 -0.013 0.000 0.679 421 A CB -1.159 17.823 19.000 -0.030 0.000 0.821 421 A HN 0.719 nan 8.150 nan 0.000 0.484 422 T N -5.044 109.527 114.554 0.029 0.000 3.069 422 T HA 0.258 4.609 4.350 0.001 0.000 0.252 422 T C 0.701 175.416 174.700 0.025 0.000 1.053 422 T CA 0.705 62.828 62.100 0.038 0.000 0.964 422 T CB -0.259 68.645 68.868 0.060 0.000 1.005 422 T HN 0.572 nan 8.240 nan 0.000 0.532 423 K N -0.034 120.374 120.400 0.014 0.000 3.349 423 K HA -0.123 4.197 4.320 0.001 0.000 0.310 423 K C -0.436 176.169 176.600 0.009 0.000 1.267 423 K CA 0.567 56.859 56.287 0.008 0.000 0.920 423 K CB -2.250 30.256 32.500 0.009 0.000 1.240 423 K HN 0.422 nan 8.250 nan 0.000 0.453 424 V N 1.816 121.738 119.914 0.013 0.000 2.481 424 V HA 0.281 4.401 4.120 0.001 0.000 0.286 424 V C -1.737 174.358 176.094 0.001 0.000 1.042 424 V CA -1.580 60.728 62.300 0.013 0.000 0.928 424 V CB 1.407 33.245 31.823 0.026 0.000 0.986 424 V HN -0.017 nan 8.190 nan 0.000 0.462 425 P HA 0.321 nan 4.420 nan 0.000 0.282 425 P C -1.066 176.213 177.300 -0.035 0.000 1.262 425 P CA -0.098 62.989 63.100 -0.021 0.000 0.773 425 P CB 0.959 32.651 31.700 -0.013 0.000 0.879 426 L N 4.786 125.959 121.223 -0.084 0.000 2.433 426 L HA 0.415 4.755 4.340 0.001 0.000 0.256 426 L C 0.272 176.984 176.870 -0.262 0.000 1.063 426 L CA -0.705 54.031 54.840 -0.174 0.000 0.922 426 L CB 1.494 43.413 42.059 -0.234 0.000 1.238 426 L HN 0.250 nan 8.230 nan 0.000 0.466 427 V N -0.431 119.379 119.914 -0.173 0.000 3.202 427 V HA 1.022 5.142 4.120 0.001 0.000 0.306 427 V C -0.909 175.167 176.094 -0.031 0.000 1.283 427 V CA -0.545 61.671 62.300 -0.140 0.000 1.065 427 V CB 2.027 33.807 31.823 -0.072 0.000 1.079 427 V HN 0.482 nan 8.190 nan 0.000 0.448 428 A N 0.530 123.354 122.820 0.006 0.000 2.485 428 A HA 0.979 5.300 4.320 0.001 0.000 0.292 428 A C -0.753 176.852 177.584 0.035 0.000 1.147 428 A CA -0.765 51.306 52.037 0.056 0.000 0.750 428 A CB 1.876 20.950 19.000 0.123 0.000 1.331 428 A HN 0.990 nan 8.150 nan 0.000 0.419 429 E N 0.012 120.231 120.200 0.032 0.000 2.343 429 E HA 0.523 4.874 4.350 0.001 0.000 0.270 429 E C -1.266 175.353 176.600 0.031 0.000 0.895 429 E CA -0.840 55.577 56.400 0.028 0.000 0.767 429 E CB 2.616 32.328 29.700 0.019 0.000 1.248 429 E HN 0.650 nan 8.360 nan 0.000 0.440 430 K N 0.476 120.897 120.400 0.035 0.000 2.482 430 K HA 0.631 4.951 4.320 0.001 0.000 0.257 430 K C -2.900 173.724 176.600 0.039 0.000 0.969 430 K CA -1.839 54.469 56.287 0.035 0.000 0.842 430 K CB 2.105 34.630 32.500 0.041 0.000 1.359 430 K HN 0.161 nan 8.250 nan 0.000 0.441 513 V N 0.330 120.352 119.914 0.180 0.000 2.325 513 V HA 0.547 4.668 4.120 0.001 0.000 0.280 513 V C -0.399 175.733 176.094 0.063 0.000 1.016 513 V CA -0.654 61.702 62.300 0.093 0.000 0.818 513 V CB 1.506 33.364 31.823 0.059 0.000 1.019 513 V HN 0.270 nan 8.190 nan 0.000 0.434 514 E N 3.856 124.087 120.200 0.051 0.000 2.313 514 E HA 0.320 4.670 4.350 0.001 0.000 0.272 514 E C -0.173 176.443 176.600 0.027 0.000 1.038 514 E CA -0.508 55.912 56.400 0.034 0.000 0.863 514 E CB 1.420 31.137 29.700 0.029 0.000 1.060 514 E HN 0.987 nan 8.360 nan 0.000 0.402 515 E N 1.905 122.115 120.200 0.017 0.000 2.200 515 E HA 0.359 4.710 4.350 0.001 0.000 0.283 515 E C -0.508 176.096 176.600 0.006 0.000 1.015 515 E CA -0.820 55.586 56.400 0.010 0.000 0.819 515 E CB 1.333 31.033 29.700 -0.000 0.000 1.081 515 E HN 0.228 nan 8.360 nan 0.000 0.397 516 V N 0.502 120.422 119.914 0.009 0.000 2.914 516 V HA 0.628 4.748 4.120 0.001 0.000 0.314 516 V C -0.122 175.965 176.094 -0.012 0.000 1.084 516 V CA -1.188 61.118 62.300 0.010 0.000 0.963 516 V CB 1.677 33.521 31.823 0.035 0.000 1.025 516 V HN 0.599 nan 8.190 nan 0.000 0.432 517 V N 0.411 120.315 119.914 -0.018 0.000 2.320 517 V HA 0.503 4.624 4.120 0.001 0.000 0.265 517 V C -2.225 173.879 176.094 0.017 0.000 1.048 517 V CA -1.976 60.291 62.300 -0.055 0.000 0.865 517 V CB 0.008 31.794 31.823 -0.061 0.000 1.043 517 V HN 0.851 nan 8.190 nan 0.000 0.474 518 P HA 0.057 nan 4.420 nan 0.000 0.269 518 P C -0.486 176.941 177.300 0.212 0.000 1.205 518 P CA 0.276 63.501 63.100 0.207 0.000 0.780 518 P CB 0.352 32.292 31.700 0.400 0.000 0.858 519 N N 0.313 119.142 118.700 0.214 0.000 2.501 519 N HA 0.290 5.030 4.740 0.001 0.000 0.245 519 N C -1.029 174.602 175.510 0.201 0.000 0.974 519 N CA -0.460 52.693 53.050 0.172 0.000 0.941 519 N CB 0.615 39.177 38.487 0.125 0.000 1.122 519 N HN 0.109 nan 8.380 nan 0.000 0.507 520 V N 3.361 123.388 119.914 0.188 0.000 2.715 520 V HA 0.355 4.476 4.120 0.001 0.000 0.299 520 V C -0.413 175.739 176.094 0.096 0.000 1.054 520 V CA -0.008 62.344 62.300 0.087 0.000 1.077 520 V CB 0.434 32.297 31.823 0.067 0.000 0.972 520 V HN 0.464 nan 8.190 nan 0.000 0.484 521 I N 5.892 126.531 120.570 0.116 0.000 2.466 521 I HA 0.388 4.559 4.170 0.001 0.000 0.279 521 I C -0.100 176.117 176.117 0.166 0.000 1.033 521 I CA -0.054 61.345 61.300 0.165 0.000 1.123 521 I CB 1.535 39.660 38.000 0.209 0.000 1.237 521 I HN 0.787 nan 8.210 nan 0.000 0.460 522 E N 8.393 128.652 120.200 0.099 0.000 2.130 522 E HA 0.460 4.810 4.350 0.001 0.000 0.284 522 E C -2.514 174.130 176.600 0.073 0.000 1.018 522 E CA -1.787 54.645 56.400 0.054 0.000 0.817 522 E CB 1.178 30.880 29.700 0.004 0.000 1.078 522 E HN 0.178 nan 8.360 nan 0.000 0.396 523 P HA 0.142 nan 4.420 nan 0.000 0.266 523 P C -1.220 176.169 177.300 0.148 0.000 1.567 523 P CA -0.487 62.643 63.100 0.050 0.000 1.077 523 P CB 1.387 33.073 31.700 -0.024 0.000 1.396 524 S N 3.823 119.563 115.700 0.066 0.000 2.438 524 S HA 0.585 5.056 4.470 0.001 0.000 0.293 524 S C -0.782 173.863 174.600 0.074 0.000 1.141 524 S CA -0.436 57.848 58.200 0.140 0.000 1.080 524 S CB -0.366 62.893 63.200 0.099 0.000 0.978 524 S HN 0.036 nan 8.310 nan 0.000 0.479 525 F N 2.798 122.733 119.950 -0.025 0.000 2.436 525 F HA 0.523 5.050 4.527 0.001 0.000 0.340 525 F C 1.058 176.818 175.800 -0.066 0.000 1.113 525 F CA -1.172 56.810 58.000 -0.030 0.000 1.022 525 F CB 1.600 40.542 39.000 -0.097 0.000 1.128 525 F HN 0.660 nan 8.300 nan 0.000 0.466 526 G N 4.331 113.199 108.800 0.114 0.000 3.288 526 G HA2 0.385 4.346 3.960 0.001 0.000 0.337 526 G HA3 0.385 4.346 3.960 0.001 0.000 0.337 526 G C 0.906 175.812 174.900 0.009 0.000 1.142 526 G CA -0.370 44.776 45.100 0.077 0.000 1.304 526 G HN 0.768 nan 8.290 nan 0.000 0.475 527 L N 1.698 122.911 121.223 -0.017 0.000 2.064 527 L HA -0.229 4.111 4.340 0.001 0.000 0.216 527 L C 3.080 179.876 176.870 -0.123 0.000 1.077 527 L CA 1.626 56.414 54.840 -0.086 0.000 0.766 527 L CB -0.519 41.438 42.059 -0.170 0.000 0.890 527 L HN 0.518 nan 8.230 nan 0.000 0.435 528 G N 0.089 108.835 108.800 -0.090 0.000 2.553 528 G HA2 -0.300 3.660 3.960 0.001 0.000 0.218 528 G HA3 -0.300 3.660 3.960 0.001 0.000 0.218 528 G C 1.717 176.531 174.900 -0.143 0.000 1.195 528 G CA 1.019 46.058 45.100 -0.102 0.000 0.779 528 G HN 0.362 nan 8.290 nan 0.000 0.577 529 R N -0.160 120.237 120.500 -0.172 0.000 2.153 529 R HA 0.182 4.523 4.340 0.001 0.000 0.218 529 R C 2.619 178.828 176.300 -0.151 0.000 1.072 529 R CA 0.644 56.640 56.100 -0.174 0.000 0.990 529 R CB -0.266 29.913 30.300 -0.202 0.000 0.889 529 R HN 0.413 nan 8.270 nan 0.000 0.452 530 I N 0.551 121.032 120.570 -0.149 0.000 2.315 530 I HA -0.267 3.904 4.170 0.001 0.000 0.248 530 I C 2.568 178.505 176.117 -0.299 0.000 1.117 530 I CA 1.223 62.419 61.300 -0.174 0.000 1.404 530 I CB -0.218 37.742 38.000 -0.066 0.000 1.071 530 I HN 0.206 nan 8.210 nan 0.000 0.419 531 M N -0.086 119.314 119.600 -0.334 0.000 2.077 531 M HA -0.268 4.212 4.480 0.001 0.000 0.261 531 M C 2.532 178.387 176.300 -0.742 0.000 1.070 531 M CA 1.973 56.922 55.300 -0.584 0.000 1.125 531 M CB -0.310 31.990 32.600 -0.500 0.000 1.339 531 M HN 0.158 nan 8.290 nan 0.000 0.409 532 Y N 0.750 120.745 120.300 -0.508 0.000 2.165 532 Y HA -0.276 4.275 4.550 0.001 0.000 0.286 532 Y C 2.204 177.929 175.900 -0.291 0.000 1.155 532 Y CA 2.408 60.315 58.100 -0.321 0.000 1.164 532 Y CB -0.611 37.690 38.460 -0.265 0.000 0.978 532 Y HN 0.260 nan 8.280 nan 0.000 0.513 533 T N -0.723 113.674 114.554 -0.262 0.000 2.746 533 T HA -0.197 4.153 4.350 0.001 0.000 0.267 533 T C 2.054 176.442 174.700 -0.521 0.000 1.039 533 T CA 1.603 63.456 62.100 -0.412 0.000 1.142 533 T CB -0.827 67.764 68.868 -0.461 0.000 0.866 533 T HN 0.199 nan 8.240 nan 0.000 0.444 534 V N 0.934 120.547 119.914 -0.502 0.000 2.392 534 V HA -0.147 3.973 4.120 0.001 0.000 0.249 534 V C 2.184 178.114 176.094 -0.274 0.000 1.059 534 V CA 1.512 63.554 62.300 -0.431 0.000 1.051 534 V CB -0.799 30.671 31.823 -0.588 0.000 0.658 534 V HN 0.357 nan 8.190 nan 0.000 0.455 535 F N 0.627 120.337 119.950 -0.400 0.000 2.102 535 F HA -0.104 4.424 4.527 0.001 0.000 0.298 535 F C 2.424 178.167 175.800 -0.095 0.000 1.105 535 F CA 1.318 59.097 58.000 -0.368 0.000 1.239 535 F CB -0.845 37.824 39.000 -0.552 0.000 0.991 535 F HN 0.256 nan 8.300 nan 0.000 0.474 536 E N -0.826 119.334 120.200 -0.066 0.000 2.006 536 E HA -0.197 4.154 4.350 0.001 0.000 0.192 536 E C 2.042 178.747 176.600 0.174 0.000 0.993 536 E CA 1.278 57.697 56.400 0.032 0.000 0.808 536 E CB -0.653 29.026 29.700 -0.035 0.000 0.764 536 E HN 0.543 nan 8.360 nan 0.000 0.449 537 H N -0.183 118.865 119.070 -0.036 0.000 2.501 537 H HA -0.121 4.435 4.556 0.001 0.000 0.296 537 H C 1.755 177.072 175.328 -0.019 0.000 1.115 537 H CA 1.327 57.359 56.048 -0.027 0.000 1.242 537 H CB 0.037 29.764 29.762 -0.059 0.000 1.363 537 H HN 0.280 nan 8.280 nan 0.000 0.537 538 T N -2.800 111.829 114.554 0.124 0.000 3.040 538 T HA 0.048 4.398 4.350 0.001 0.000 0.266 538 T C 0.108 174.612 174.700 -0.327 0.000 1.005 538 T CA -0.450 61.599 62.100 -0.086 0.000 0.906 538 T CB -0.275 68.669 68.868 0.126 0.000 1.082 538 T HN 0.034 nan 8.240 nan 0.000 0.531 539 F N 3.930 123.774 119.950 -0.177 0.000 2.484 539 F HA 0.469 4.997 4.527 0.001 0.000 0.360 539 F C 0.084 175.593 175.800 -0.485 0.000 1.101 539 F CA -0.340 57.458 58.000 -0.336 0.000 1.251 539 F CB 0.311 39.229 39.000 -0.136 0.000 1.132 539 F HN 0.193 nan 8.300 nan 0.000 0.570 540 H N 3.094 121.684 119.070 -0.800 0.000 2.985 540 H HA 0.585 5.141 4.556 0.001 0.000 0.360 540 H C -1.257 173.662 175.328 -0.681 0.000 1.221 540 H CA -1.032 54.622 56.048 -0.657 0.000 1.121 540 H CB 1.640 30.722 29.762 -1.133 0.000 1.854 540 H HN 0.336 nan 8.280 nan 0.000 0.551 541 V N 2.779 122.606 119.914 -0.145 0.000 2.407 541 V HA 0.328 4.448 4.120 0.001 0.000 0.291 541 V C 0.347 176.454 176.094 0.022 0.000 1.018 541 V CA -1.001 61.259 62.300 -0.067 0.000 0.842 541 V CB 1.183 33.030 31.823 0.041 0.000 0.996 541 V HN 0.550 nan 8.190 nan 0.000 0.426 542 R N 2.547 123.114 120.500 0.112 0.000 2.679 542 R HA 0.125 4.465 4.340 0.001 0.000 0.268 542 R C 0.199 176.536 176.300 0.061 0.000 1.044 542 R CA -0.316 55.879 56.100 0.160 0.000 1.105 542 R CB 1.006 31.381 30.300 0.126 0.000 0.989 542 R HN 0.752 nan 8.270 nan 0.000 0.447 543 E N 1.129 121.355 120.200 0.042 0.000 1.791 543 E HA 0.150 4.500 4.350 0.001 0.000 0.263 543 E C -0.648 175.958 176.600 0.009 0.000 1.213 543 E CA -0.147 56.264 56.400 0.017 0.000 0.991 543 E CB 0.015 29.719 29.700 0.007 0.000 1.068 543 E HN 0.731 nan 8.360 nan 0.000 0.417 544 G N 3.528 112.334 108.800 0.010 0.000 2.513 544 G HA2 0.054 4.015 3.960 0.001 0.000 0.282 544 G HA3 0.054 4.015 3.960 0.001 0.000 0.282 544 G C -0.108 174.796 174.900 0.006 0.000 1.397 544 G CA -0.759 44.344 45.100 0.005 0.000 1.291 544 G HN 0.390 nan 8.290 nan 0.000 0.596 545 D N 0.700 121.102 120.400 0.003 0.000 2.382 545 D HA -0.260 4.380 4.640 0.001 0.000 0.194 545 D C 1.845 178.147 176.300 0.004 0.000 1.026 545 D CA 1.832 55.834 54.000 0.003 0.000 0.913 545 D CB 0.314 41.114 40.800 0.001 0.000 0.894 545 D HN 0.709 nan 8.370 nan 0.000 0.453 546 E N -0.050 120.152 120.200 0.005 0.000 2.219 546 E HA -0.229 4.122 4.350 0.001 0.000 0.198 546 E C -0.172 176.433 176.600 0.007 0.000 0.998 546 E CA 0.728 57.131 56.400 0.006 0.000 0.818 546 E CB 0.164 29.868 29.700 0.007 0.000 0.741 546 E HN 0.097 nan 8.360 nan 0.000 0.477 547 Q N 0.029 119.834 119.800 0.008 0.000 2.451 547 Q HA -0.170 4.171 4.340 0.001 0.000 0.334 547 Q C -1.035 174.968 176.000 0.005 0.000 1.462 547 Q CA 0.900 56.709 55.803 0.010 0.000 0.876 547 Q CB -1.615 27.130 28.738 0.012 0.000 1.125 547 Q HN 0.362 nan 8.270 nan 0.000 0.358 548 R N 0.041 120.541 120.500 -0.000 0.000 2.720 548 R HA 0.746 5.086 4.340 0.001 0.000 0.272 548 R C 0.434 176.699 176.300 -0.059 0.000 0.991 548 R CA -0.124 55.966 56.100 -0.016 0.000 1.010 548 R CB 1.368 31.670 30.300 0.003 0.000 1.141 548 R HN 0.406 nan 8.270 nan 0.000 0.494 549 T N -0.811 113.654 114.554 -0.148 0.000 2.900 549 T HA 0.659 5.010 4.350 0.001 0.000 0.295 549 T C -0.740 173.714 174.700 -0.411 0.000 1.044 549 T CA -0.895 60.957 62.100 -0.413 0.000 0.995 549 T CB 1.168 69.627 68.868 -0.682 0.000 1.072 549 T HN 0.516 nan 8.240 nan 0.000 0.473 550 F N 0.355 119.902 119.950 -0.671 0.000 2.574 550 F HA 0.801 5.328 4.527 0.001 0.000 0.313 550 F C -1.690 173.685 175.800 -0.709 0.000 1.130 550 F CA -1.980 55.682 58.000 -0.563 0.000 0.936 550 F CB 0.919 39.727 39.000 -0.320 0.000 1.219 550 F HN 0.565 nan 8.300 nan 0.000 0.445 551 F N 1.668 121.264 119.950 -0.590 0.000 2.370 551 F HA 0.480 5.007 4.527 0.001 0.000 0.324 551 F C 0.857 176.274 175.800 -0.638 0.000 1.116 551 F CA -0.586 56.921 58.000 -0.822 0.000 1.123 551 F CB 1.934 40.212 39.000 -1.204 0.000 1.238 551 F HN 0.679 nan 8.300 nan 0.000 0.536 552 S N 2.221 117.735 115.700 -0.310 0.000 2.222 552 S HA 0.454 4.924 4.470 0.001 0.000 0.173 552 S C -0.772 173.854 174.600 0.044 0.000 1.466 552 S CA -0.691 57.458 58.200 -0.084 0.000 1.184 552 S CB -0.965 62.260 63.200 0.040 0.000 1.168 552 S HN 0.436 nan 8.310 nan 0.000 0.475 553 F N 1.893 121.842 119.950 -0.001 0.000 2.429 553 F HA 0.378 4.905 4.527 0.001 0.000 0.348 553 F C -2.015 173.746 175.800 -0.066 0.000 1.109 553 F CA -2.563 55.406 58.000 -0.052 0.000 1.232 553 F CB 0.321 39.289 39.000 -0.054 0.000 1.157 553 F HN 0.214 nan 8.300 nan 0.000 0.564 554 P HA 0.005 nan 4.420 nan 0.000 0.268 554 P C 0.151 177.478 177.300 0.045 0.000 1.204 554 P CA 0.107 63.239 63.100 0.054 0.000 0.768 554 P CB 0.963 32.669 31.700 0.008 0.000 0.842 555 A N 3.408 126.243 122.820 0.025 0.000 2.159 555 A HA -0.184 4.137 4.320 0.001 0.000 0.222 555 A C 1.466 179.078 177.584 0.046 0.000 1.163 555 A CA 1.975 54.021 52.037 0.015 0.000 0.664 555 A CB -1.366 17.692 19.000 0.096 0.000 0.803 555 A HN 0.483 nan 8.150 nan 0.000 0.470 556 V N -1.496 118.440 119.914 0.037 0.000 3.630 556 V HA 0.103 4.223 4.120 0.001 0.000 0.273 556 V C 1.494 177.589 176.094 0.002 0.000 1.248 556 V CA 1.108 63.423 62.300 0.026 0.000 1.170 556 V CB -0.782 31.047 31.823 0.011 0.000 0.899 556 V HN 0.827 nan 8.190 nan 0.000 0.457 557 V N -3.514 116.397 119.914 -0.004 0.000 3.363 557 V HA 0.649 4.770 4.120 0.001 0.000 0.270 557 V C 0.940 177.026 176.094 -0.014 0.000 1.667 557 V CA 0.234 62.500 62.300 -0.057 0.000 1.034 557 V CB -0.157 31.558 31.823 -0.181 0.000 0.857 557 V HN 0.352 nan 8.190 nan 0.000 0.410 558 A N 2.045 124.927 122.820 0.103 0.000 2.540 558 A HA 0.495 4.815 4.320 0.001 0.000 0.239 558 A C -0.590 177.075 177.584 0.135 0.000 1.061 558 A CA 0.190 52.366 52.037 0.232 0.000 0.758 558 A CB -0.334 18.736 19.000 0.116 0.000 0.991 558 A HN 0.418 nan 8.150 nan 0.000 0.502 559 P HA -0.179 nan 4.420 nan 0.000 0.221 559 P C 0.048 177.513 177.300 0.274 0.000 1.160 559 P CA 2.158 65.353 63.100 0.159 0.000 0.933 559 P CB -0.127 31.635 31.700 0.104 0.000 0.793 560 F N -5.747 114.247 119.950 0.073 0.000 2.588 560 F HA 0.510 5.038 4.527 0.001 0.000 0.314 560 F C 0.791 176.629 175.800 0.063 0.000 1.134 560 F CA -1.399 56.639 58.000 0.063 0.000 0.961 560 F CB 0.909 39.943 39.000 0.056 0.000 1.239 560 F HN -0.392 nan 8.300 nan 0.000 0.448 561 K N 1.240 121.768 120.400 0.214 0.000 1.972 561 K HA -0.172 4.149 4.320 0.001 0.000 0.227 561 K C 0.669 177.345 176.600 0.126 0.000 1.046 561 K CA 2.119 58.475 56.287 0.115 0.000 1.013 561 K CB -0.400 32.221 32.500 0.203 0.000 0.741 561 K HN 0.714 nan 8.250 nan 0.000 0.446 562 C N 0.545 120.030 119.300 0.309 0.000 2.351 562 C HA 0.416 4.877 4.460 0.001 0.000 0.359 562 C C 0.279 175.530 174.990 0.435 0.000 1.193 562 C CA -0.502 58.711 59.018 0.325 0.000 2.270 562 C CB 1.110 29.031 27.740 0.302 0.000 2.369 562 C HN 0.447 nan 8.230 nan 0.000 0.553 563 S N 4.064 119.977 115.700 0.355 0.000 2.395 563 S HA 0.434 4.905 4.470 0.001 0.000 0.207 563 S C -0.874 173.885 174.600 0.265 0.000 1.454 563 S CA -0.462 57.986 58.200 0.412 0.000 1.211 563 S CB 0.122 63.565 63.200 0.405 0.000 1.093 563 S HN 0.763 nan 8.310 nan 0.000 0.472 564 V N 5.710 125.740 119.914 0.193 0.000 2.585 564 V HA 0.300 4.420 4.120 0.001 0.000 0.296 564 V C -0.216 175.936 176.094 0.097 0.000 1.035 564 V CA -0.085 62.284 62.300 0.116 0.000 1.084 564 V CB -0.005 31.841 31.823 0.039 0.000 0.953 564 V HN 0.752 nan 8.190 nan 0.000 0.483 565 L N 5.346 126.615 121.223 0.077 0.000 2.476 565 L HA 0.819 5.160 4.340 0.001 0.000 0.269 565 L C -2.781 174.130 176.870 0.069 0.000 0.965 565 L CA -1.923 52.937 54.840 0.035 0.000 0.845 565 L CB 1.810 43.818 42.059 -0.085 0.000 1.259 565 L HN 0.349 nan 8.230 nan 0.000 0.403 566 P HA 0.471 nan 4.420 nan 0.000 0.285 566 P C -0.175 177.222 177.300 0.162 0.000 1.280 566 P CA -0.591 62.637 63.100 0.214 0.000 0.862 566 P CB 2.586 34.475 31.700 0.315 0.000 1.153 567 L N 0.169 121.536 121.223 0.240 0.000 2.004 567 L HA 0.107 4.448 4.340 0.001 0.000 0.205 567 L C 1.650 178.462 176.870 -0.098 0.000 1.089 567 L CA 1.804 56.717 54.840 0.121 0.000 0.756 567 L CB -1.622 40.627 42.059 0.317 0.000 0.900 567 L HN 0.390 nan 8.230 nan 0.000 0.440 568 S N -1.043 114.374 115.700 -0.472 0.000 2.610 568 S HA 0.169 4.639 4.470 0.001 0.000 0.273 568 S C 0.371 174.612 174.600 -0.599 0.000 1.274 568 S CA -0.405 57.435 58.200 -0.600 0.000 1.023 568 S CB 1.012 63.714 63.200 -0.829 0.000 0.962 568 S HN 0.271 nan 8.310 nan 0.000 0.523 569 Q N 2.532 122.137 119.800 -0.325 0.000 2.211 569 Q HA 0.242 4.583 4.340 0.001 0.000 0.231 569 Q C 0.263 176.176 176.000 -0.145 0.000 0.865 569 Q CA -0.172 55.522 55.803 -0.183 0.000 0.997 569 Q CB -0.335 28.347 28.738 -0.094 0.000 1.101 569 Q HN 0.803 nan 8.270 nan 0.000 0.468 570 N N -1.859 116.709 118.700 -0.220 0.000 2.476 570 N HA 0.075 4.816 4.740 0.001 0.000 0.287 570 N C 0.202 175.718 175.510 0.010 0.000 1.262 570 N CA -0.646 52.346 53.050 -0.098 0.000 0.980 570 N CB 0.450 38.869 38.487 -0.113 0.000 1.163 570 N HN 0.054 nan 8.380 nan 0.000 0.592 571 Q N -0.462 119.361 119.800 0.038 0.000 2.515 571 Q HA -0.043 4.297 4.340 0.001 0.000 0.212 571 Q C 0.454 176.536 176.000 0.137 0.000 0.970 571 Q CA 0.643 56.491 55.803 0.075 0.000 0.941 571 Q CB 0.012 28.777 28.738 0.046 0.000 0.998 571 Q HN 0.628 nan 8.270 nan 0.000 0.518 572 E N -0.688 119.634 120.200 0.205 0.000 2.474 572 E HA -0.008 4.342 4.350 0.001 0.000 0.194 572 E C 0.596 177.430 176.600 0.390 0.000 1.041 572 E CA 0.404 56.969 56.400 0.275 0.000 0.874 572 E CB 0.272 30.122 29.700 0.249 0.000 0.914 572 E HN 0.308 nan 8.360 nan 0.000 0.498 573 F N 0.124 120.078 119.950 0.008 0.000 2.592 573 F HA 0.167 4.695 4.527 0.001 0.000 0.280 573 F C 2.080 177.953 175.800 0.122 0.000 1.083 573 F CA -0.022 57.990 58.000 0.021 0.000 1.365 573 F CB -0.208 38.733 39.000 -0.099 0.000 1.100 573 F HN -0.127 nan 8.300 nan 0.000 0.633 574 M N 0.861 120.610 119.600 0.248 0.000 2.255 574 M HA -0.154 4.327 4.480 0.001 0.000 0.260 574 M C -0.599 175.745 176.300 0.073 0.000 1.069 574 M CA 1.929 57.308 55.300 0.132 0.000 1.089 574 M CB -2.555 30.090 32.600 0.076 0.000 1.269 574 M HN -0.159 nan 8.290 nan 0.000 0.434 575 P HA -0.136 nan 4.420 nan 0.000 0.229 575 P C 0.905 178.010 177.300 -0.324 0.000 1.147 575 P CA 1.201 64.206 63.100 -0.158 0.000 0.766 575 P CB -0.277 31.292 31.700 -0.218 0.000 0.775 576 F N -2.806 117.088 119.950 -0.094 0.000 2.490 576 F HA 0.016 4.543 4.527 0.000 0.000 0.280 576 F C 2.280 178.030 175.800 -0.082 0.000 1.030 576 F CA 0.401 58.321 58.000 -0.133 0.000 1.367 576 F CB -0.814 38.049 39.000 -0.228 0.000 1.131 576 F HN -0.377 nan 8.300 nan 0.000 0.632 577 V N 0.926 120.931 119.914 0.152 0.000 2.307 577 V HA -0.289 3.832 4.120 0.001 0.000 0.245 577 V C 2.446 178.571 176.094 0.051 0.000 1.045 577 V CA 1.997 64.352 62.300 0.092 0.000 1.024 577 V CB -0.430 31.457 31.823 0.106 0.000 0.651 577 V HN 0.235 nan 8.190 nan 0.000 0.449 578 K N 0.209 120.632 120.400 0.038 0.000 1.981 578 K HA -0.356 3.965 4.320 0.001 0.000 0.228 578 K C 2.120 178.722 176.600 0.005 0.000 1.050 578 K CA 2.674 58.971 56.287 0.017 0.000 1.001 578 K CB -0.497 31.998 32.500 -0.008 0.000 0.738 578 K HN 0.445 nan 8.250 nan 0.000 0.447 579 E N 0.877 121.060 120.200 -0.028 0.000 2.110 579 E HA -0.279 4.071 4.350 0.001 0.000 0.225 579 E C 1.965 178.560 176.600 -0.009 0.000 1.063 579 E CA 2.200 58.581 56.400 -0.033 0.000 0.906 579 E CB -0.869 28.788 29.700 -0.072 0.000 0.795 579 E HN 0.398 nan 8.360 nan 0.000 0.479 580 L N 0.453 121.673 121.223 -0.005 0.000 2.211 580 L HA -0.239 4.101 4.340 0.001 0.000 0.216 580 L C 2.426 179.251 176.870 -0.076 0.000 1.092 580 L CA 2.531 57.360 54.840 -0.019 0.000 0.767 580 L CB -1.098 40.956 42.059 -0.009 0.000 0.894 580 L HN 0.326 nan 8.230 nan 0.000 0.437 581 S N -1.180 114.492 115.700 -0.046 0.000 2.348 581 S HA -0.140 4.331 4.470 0.001 0.000 0.219 581 S C 1.837 176.512 174.600 0.126 0.000 1.033 581 S CA 1.133 59.319 58.200 -0.023 0.000 0.974 581 S CB -0.218 63.103 63.200 0.201 0.000 0.868 581 S HN 0.648 nan 8.310 nan 0.000 0.459 582 E N 1.082 121.333 120.200 0.086 0.000 2.051 582 E HA -0.080 4.271 4.350 0.001 0.000 0.192 582 E C 2.380 179.010 176.600 0.050 0.000 0.991 582 E CA 1.078 57.520 56.400 0.070 0.000 0.799 582 E CB -0.363 29.353 29.700 0.027 0.000 0.748 582 E HN 0.615 nan 8.360 nan 0.000 0.449 583 A N 1.045 123.882 122.820 0.028 0.000 1.978 583 A HA -0.180 4.141 4.320 0.001 0.000 0.220 583 A C 2.136 179.772 177.584 0.088 0.000 1.170 583 A CA 1.147 53.201 52.037 0.028 0.000 0.636 583 A CB -0.495 18.530 19.000 0.042 0.000 0.810 583 A HN 0.141 nan 8.150 nan 0.000 0.448 584 L N -1.512 119.768 121.223 0.093 0.000 2.102 584 L HA -0.093 4.248 4.340 0.001 0.000 0.202 584 L C 2.776 179.775 176.870 0.215 0.000 1.076 584 L CA 1.509 56.442 54.840 0.155 0.000 0.761 584 L CB -1.030 41.032 42.059 0.005 0.000 0.921 584 L HN 0.322 nan 8.230 nan 0.000 0.444 585 T N -0.087 114.605 114.554 0.229 0.000 2.624 585 T HA -0.256 4.094 4.350 0.001 0.000 0.268 585 T C 1.989 176.739 174.700 0.083 0.000 1.041 585 T CA 1.556 63.754 62.100 0.164 0.000 1.159 585 T CB -0.261 68.677 68.868 0.117 0.000 0.863 585 T HN 0.284 nan 8.240 nan 0.000 0.434 586 R N 0.181 120.695 120.500 0.022 0.000 2.096 586 R HA -0.113 4.227 4.340 0.001 0.000 0.240 586 R C 2.309 178.571 176.300 -0.064 0.000 1.139 586 R CA 1.434 57.494 56.100 -0.065 0.000 0.952 586 R CB -0.538 29.662 30.300 -0.167 0.000 0.854 586 R HN 0.521 nan 8.270 nan 0.000 0.436 587 H N -0.489 118.615 119.070 0.057 0.000 2.559 587 H HA 0.032 4.589 4.556 0.001 0.000 0.273 587 H C 1.064 176.433 175.328 0.069 0.000 1.000 587 H CA 1.129 57.211 56.048 0.057 0.000 1.195 587 H CB 0.061 29.856 29.762 0.054 0.000 1.368 587 H HN 0.541 nan 8.280 nan 0.000 0.592 588 G N 0.708 109.614 108.800 0.177 0.000 2.212 588 G HA2 -0.244 3.716 3.960 0.001 0.000 0.255 588 G HA3 -0.244 3.716 3.960 0.001 0.000 0.255 588 G C -0.062 174.934 174.900 0.161 0.000 1.062 588 G CA 0.380 45.565 45.100 0.141 0.000 0.815 588 G HN 0.246 nan 8.290 nan 0.000 0.497 589 V N 1.952 121.990 119.914 0.208 0.000 2.259 589 V HA 0.471 4.592 4.120 0.001 0.000 0.267 589 V C 1.080 177.342 176.094 0.281 0.000 1.051 589 V CA -0.281 62.158 62.300 0.231 0.000 0.830 589 V CB 0.813 32.778 31.823 0.236 0.000 1.080 589 V HN 0.908 nan 8.190 nan 0.000 0.467 590 S N 5.159 120.981 115.700 0.203 0.000 2.593 590 S HA 0.159 4.629 4.470 0.001 0.000 0.300 590 S C 0.014 174.768 174.600 0.257 0.000 1.267 590 S CA -0.087 58.205 58.200 0.153 0.000 1.065 590 S CB -0.062 63.220 63.200 0.138 0.000 0.807 590 S HN 0.995 nan 8.310 nan 0.000 0.499 591 H N -0.033 119.094 119.070 0.094 0.000 2.960 591 H HA 0.647 5.204 4.556 0.001 0.000 0.323 591 H C -1.565 173.635 175.328 -0.214 0.000 1.326 591 H CA -1.283 54.816 56.048 0.085 0.000 1.124 591 H CB 1.175 31.018 29.762 0.134 0.000 1.853 591 H HN 0.647 nan 8.280 nan 0.000 0.536 592 K N 1.215 121.566 120.400 -0.083 0.000 2.523 592 K HA 0.376 4.696 4.320 0.001 0.000 0.257 592 K C -1.208 175.439 176.600 0.078 0.000 0.932 592 K CA -0.940 55.196 56.287 -0.251 0.000 0.812 592 K CB 3.528 35.506 32.500 -0.871 0.000 1.326 592 K HN 0.351 nan 8.250 nan 0.000 0.433 593 V N 1.521 121.476 119.914 0.070 0.000 2.432 593 V HA 0.068 4.188 4.120 0.001 0.000 0.275 593 V C 0.077 176.206 176.094 0.058 0.000 1.043 593 V CA -0.636 61.717 62.300 0.089 0.000 0.925 593 V CB 1.027 32.896 31.823 0.077 0.000 0.985 593 V HN 0.675 nan 8.190 nan 0.000 0.466 594 D N 3.426 123.865 120.400 0.064 0.000 2.401 594 D HA 0.059 4.699 4.640 0.001 0.000 0.254 594 D C 0.409 176.719 176.300 0.016 0.000 1.192 594 D CA 0.313 54.336 54.000 0.037 0.000 0.885 594 D CB 1.183 41.980 40.800 -0.005 0.000 1.147 594 D HN 0.593 nan 8.370 nan 0.000 0.478 595 D N 0.867 121.275 120.400 0.014 0.000 2.514 595 D HA -0.051 4.590 4.640 0.001 0.000 0.249 595 D C 0.151 176.451 176.300 -0.000 0.000 1.036 595 D CA 0.250 54.252 54.000 0.004 0.000 0.911 595 D CB 0.136 40.939 40.800 0.005 0.000 1.145 595 D HN 0.501 nan 8.370 nan 0.000 0.495 596 S N 1.508 117.212 115.700 0.006 0.000 2.575 596 S HA 0.075 4.545 4.470 0.001 0.000 0.295 596 S C 0.600 175.196 174.600 -0.006 0.000 1.267 596 S CA -0.513 57.689 58.200 0.004 0.000 1.074 596 S CB 0.302 63.511 63.200 0.014 0.000 0.829 596 S HN 0.147 nan 8.310 nan 0.000 0.497 597 S N 3.011 118.708 115.700 -0.005 0.000 2.593 597 S HA 0.745 5.216 4.470 0.001 0.000 0.269 597 S C 0.665 175.262 174.600 -0.005 0.000 1.334 597 S CA -0.184 58.012 58.200 -0.008 0.000 1.015 597 S CB 0.467 63.663 63.200 -0.006 0.000 0.912 597 S HN 2.170 nan 8.310 nan 0.000 0.541 598 G N 0.431 109.228 108.800 -0.004 0.000 2.347 598 G HA2 0.349 4.309 3.960 0.001 0.000 0.321 598 G HA3 0.349 4.309 3.960 0.001 0.000 0.321 598 G C -0.650 174.252 174.900 0.003 0.000 1.412 598 G CA -0.533 44.567 45.100 0.000 0.000 0.990 598 G HN 1.562 nan 8.290 nan 0.000 0.637 599 S N -0.003 115.704 115.700 0.012 0.000 2.562 599 S HA 0.307 4.777 4.470 0.001 0.000 0.281 599 S C 1.865 176.480 174.600 0.025 0.000 1.333 599 S CA 0.151 58.365 58.200 0.025 0.000 1.052 599 S CB 1.249 64.467 63.200 0.030 0.000 0.884 599 S HN 1.720 nan 8.310 nan 0.000 0.506 600 I N 2.218 122.812 120.570 0.041 0.000 2.191 600 I HA -0.286 3.885 4.170 0.001 0.000 0.248 600 I C 1.952 178.117 176.117 0.079 0.000 1.061 600 I CA 2.396 63.718 61.300 0.037 0.000 1.329 600 I CB -1.002 37.080 38.000 0.136 0.000 1.024 600 I HN 0.855 nan 8.210 nan 0.000 0.423 601 G N 0.100 108.982 108.800 0.137 0.000 2.403 601 G HA2 -0.240 3.721 3.960 0.001 0.000 0.216 601 G HA3 -0.240 3.721 3.960 0.001 0.000 0.216 601 G C 1.793 176.769 174.900 0.128 0.000 1.154 601 G CA 0.631 45.840 45.100 0.182 0.000 0.784 601 G HN 0.447 nan 8.290 nan 0.000 0.538 602 R N 0.175 120.713 120.500 0.064 0.000 2.153 602 R HA 0.043 4.384 4.340 0.001 0.000 0.218 602 R C 2.681 178.997 176.300 0.027 0.000 1.072 602 R CA 0.256 56.381 56.100 0.042 0.000 0.990 602 R CB -0.090 30.225 30.300 0.025 0.000 0.889 602 R HN 0.161 nan 8.270 nan 0.000 0.452 603 R N -0.279 120.210 120.500 -0.018 0.000 2.073 603 R HA -0.172 4.168 4.340 0.001 0.000 0.234 603 R C 1.970 178.228 176.300 -0.069 0.000 1.134 603 R CA 1.466 57.513 56.100 -0.089 0.000 0.952 603 R CB -0.884 29.286 30.300 -0.217 0.000 0.850 603 R HN 0.320 nan 8.270 nan 0.000 0.433 604 Y N 1.091 121.405 120.300 0.023 0.000 2.403 604 Y HA -0.065 4.486 4.550 0.001 0.000 0.291 604 Y C 2.477 178.365 175.900 -0.021 0.000 1.143 604 Y CA 0.605 58.705 58.100 -0.000 0.000 1.257 604 Y CB -0.662 37.790 38.460 -0.012 0.000 0.984 604 Y HN 0.141 nan 8.280 nan 0.000 0.550 605 A N 0.269 123.166 122.820 0.129 0.000 1.940 605 A HA -0.225 4.095 4.320 0.001 0.000 0.219 605 A C 2.324 179.938 177.584 0.050 0.000 1.176 605 A CA 1.746 53.822 52.037 0.065 0.000 0.631 605 A CB -0.449 18.578 19.000 0.044 0.000 0.814 605 A HN 0.410 nan 8.150 nan 0.000 0.446 606 R N -1.429 119.104 120.500 0.056 0.000 2.057 606 R HA -0.057 4.283 4.340 0.001 0.000 0.229 606 R C 2.371 178.705 176.300 0.057 0.000 1.136 606 R CA 1.704 57.837 56.100 0.056 0.000 0.952 606 R CB -0.893 29.439 30.300 0.054 0.000 0.848 606 R HN 0.447 nan 8.270 nan 0.000 0.430 607 T N 1.192 115.788 114.554 0.070 0.000 2.737 607 T HA -0.165 4.185 4.350 0.001 0.000 0.269 607 T C 1.158 175.851 174.700 -0.011 0.000 1.040 607 T CA 1.750 63.877 62.100 0.045 0.000 1.142 607 T CB -0.299 68.663 68.868 0.156 0.000 0.861 607 T HN 0.240 nan 8.240 nan 0.000 0.456 608 D N 0.661 121.070 120.400 0.014 0.000 2.117 608 D HA -0.047 4.594 4.640 0.001 0.000 0.198 608 D C 2.279 178.564 176.300 -0.025 0.000 0.982 608 D CA 0.805 54.786 54.000 -0.031 0.000 0.828 608 D CB -0.220 40.559 40.800 -0.035 0.000 0.967 608 D HN 0.501 nan 8.370 nan 0.000 0.464 609 E N 0.520 120.715 120.200 -0.010 0.000 2.085 609 E HA -0.153 4.198 4.350 0.001 0.000 0.194 609 E C 1.920 178.609 176.600 0.148 0.000 0.994 609 E CA 0.755 57.142 56.400 -0.022 0.000 0.801 609 E CB -0.122 29.595 29.700 0.030 0.000 0.743 609 E HN 0.464 nan 8.360 nan 0.000 0.453 610 I N -2.643 118.041 120.570 0.189 0.000 3.764 610 I HA 0.305 4.476 4.170 0.001 0.000 0.312 610 I C 1.208 177.428 176.117 0.172 0.000 1.340 610 I CA 0.386 61.899 61.300 0.356 0.000 1.195 610 I CB -0.255 37.847 38.000 0.170 0.000 1.068 610 I HN 0.068 nan 8.210 nan 0.000 0.421 611 G N 1.166 109.937 108.800 -0.049 0.000 2.270 611 G HA2 -0.305 3.655 3.960 0.001 0.000 0.268 611 G HA3 -0.305 3.655 3.960 0.001 0.000 0.268 611 G C 0.478 175.235 174.900 -0.240 0.000 0.982 611 G CA 0.315 45.224 45.100 -0.318 0.000 0.628 611 G HN 0.383 nan 8.290 nan 0.000 0.544 612 V N 1.312 121.072 119.914 -0.257 0.000 2.890 612 V HA 0.068 4.189 4.120 0.001 0.000 0.294 612 V C 2.187 178.071 176.094 -0.350 0.000 1.165 612 V CA 1.492 63.565 62.300 -0.378 0.000 1.302 612 V CB -0.541 30.991 31.823 -0.485 0.000 0.820 612 V HN 1.195 nan 8.190 nan 0.000 0.468 613 A N 5.767 128.323 122.820 -0.439 0.000 1.837 613 A HA -0.041 4.280 4.320 0.001 0.000 0.216 613 A C 0.583 177.545 177.584 -1.037 0.000 1.210 613 A CA 1.769 53.285 52.037 -0.867 0.000 0.632 613 A CB -0.302 18.006 19.000 -1.155 0.000 0.843 613 A HN 0.678 nan 8.150 nan 0.000 0.448 614 F N -2.766 117.149 119.950 -0.057 0.000 2.618 614 F HA 0.679 5.206 4.527 0.001 0.000 0.332 614 F C 0.565 176.377 175.800 0.021 0.000 1.061 614 F CA -0.787 57.170 58.000 -0.073 0.000 0.974 614 F CB 1.259 40.230 39.000 -0.047 0.000 1.310 614 F HN 0.353 nan 8.300 nan 0.000 0.491 615 G N -0.361 108.582 108.800 0.240 0.000 2.659 615 G HA2 0.608 4.569 3.960 0.001 0.000 0.296 615 G HA3 0.608 4.569 3.960 0.001 0.000 0.296 615 G C -2.374 172.678 174.900 0.252 0.000 1.369 615 G CA -0.846 44.434 45.100 0.301 0.000 0.937 615 G HN 0.503 nan 8.290 nan 0.000 0.485 616 V N 1.112 121.174 119.914 0.246 0.000 2.409 616 V HA 0.414 4.534 4.120 0.001 0.000 0.290 616 V C 0.069 176.267 176.094 0.174 0.000 1.017 616 V CA -0.566 61.831 62.300 0.162 0.000 0.841 616 V CB 1.625 33.500 31.823 0.087 0.000 1.003 616 V HN 0.769 nan 8.190 nan 0.000 0.426 617 T N 6.939 121.609 114.554 0.193 0.000 2.749 617 T HA 0.533 4.883 4.350 0.001 0.000 0.295 617 T C -0.033 174.712 174.700 0.074 0.000 0.936 617 T CA 0.207 62.418 62.100 0.185 0.000 1.060 617 T CB 0.131 69.163 68.868 0.274 0.000 0.904 617 T HN 0.392 nan 8.240 nan 0.000 0.500 618 I N 4.941 125.547 120.570 0.061 0.000 2.405 618 I HA 0.283 4.453 4.170 0.001 0.000 0.280 618 I C -0.134 175.967 176.117 -0.026 0.000 1.027 618 I CA -0.910 60.363 61.300 -0.044 0.000 1.161 618 I CB 1.067 39.012 38.000 -0.092 0.000 1.300 618 I HN 0.656 nan 8.210 nan 0.000 0.463 619 D N 4.343 124.732 120.400 -0.019 0.000 2.564 619 D HA 0.317 4.958 4.640 0.001 0.000 0.273 619 D C 0.821 177.091 176.300 -0.051 0.000 1.192 619 D CA -0.583 53.511 54.000 0.156 0.000 1.080 619 D CB 0.543 41.527 40.800 0.307 0.000 1.160 619 D HN 0.157 nan 8.370 nan 0.000 0.607 620 F N 0.015 119.971 119.950 0.011 0.000 2.069 620 F HA -0.086 4.441 4.527 0.000 0.000 0.298 620 F C 1.825 177.542 175.800 -0.138 0.000 1.113 620 F CA 1.391 59.366 58.000 -0.041 0.000 1.214 620 F CB -1.026 38.040 39.000 0.110 0.000 0.978 620 F HN 0.261 nan 8.300 nan 0.000 0.474 621 D N -0.749 119.737 120.400 0.144 0.000 2.322 621 D HA -0.150 4.491 4.640 0.001 0.000 0.210 621 D C 2.050 178.324 176.300 -0.044 0.000 0.983 621 D CA 1.686 55.717 54.000 0.051 0.000 0.902 621 D CB -0.519 40.323 40.800 0.071 0.000 0.905 621 D HN 0.265 nan 8.370 nan 0.000 0.483 622 T N -1.054 113.398 114.554 -0.170 0.000 2.978 622 T HA 0.011 4.361 4.350 0.001 0.000 0.262 622 T C 1.906 176.322 174.700 -0.473 0.000 1.063 622 T CA 0.344 62.289 62.100 -0.258 0.000 1.140 622 T CB 0.230 68.875 68.868 -0.371 0.000 0.886 622 T HN 0.029 nan 8.240 nan 0.000 0.470 623 V N 2.084 121.582 119.914 -0.693 0.000 3.650 623 V HA 0.136 4.257 4.120 0.001 0.000 0.271 623 V C 1.555 177.536 176.094 -0.188 0.000 1.281 623 V CA 0.536 62.307 62.300 -0.882 0.000 1.120 623 V CB -0.354 30.865 31.823 -1.006 0.000 0.856 623 V HN 0.441 nan 8.190 nan 0.000 0.443 624 N N -0.307 118.375 118.700 -0.029 0.000 2.742 624 N HA 0.128 4.869 4.740 0.001 0.000 0.233 624 N C 0.682 176.243 175.510 0.085 0.000 1.033 624 N CA -0.029 53.066 53.050 0.075 0.000 0.993 624 N CB 0.071 38.611 38.487 0.089 0.000 1.544 624 N HN 0.226 nan 8.380 nan 0.000 0.459 625 K N 1.104 121.532 120.400 0.046 0.000 2.336 625 K HA 0.222 4.543 4.320 0.001 0.000 0.262 625 K C 0.136 176.683 176.600 -0.089 0.000 0.992 625 K CA 0.400 56.686 56.287 -0.002 0.000 0.927 625 K CB 0.350 32.846 32.500 -0.007 0.000 0.956 625 K HN 0.094 nan 8.250 nan 0.000 0.495 626 T N 2.012 116.470 114.554 -0.159 0.000 3.172 626 T HA 0.438 4.789 4.350 0.001 0.000 0.320 626 T C -2.547 172.032 174.700 -0.202 0.000 1.085 626 T CA -1.688 60.204 62.100 -0.348 0.000 1.052 626 T CB 0.522 69.229 68.868 -0.269 0.000 1.107 626 T HN 0.343 nan 8.240 nan 0.000 0.458 627 P HA 0.208 nan 4.420 nan 0.000 0.267 627 P C -0.632 176.481 177.300 -0.312 0.000 1.201 627 P CA -0.180 62.757 63.100 -0.271 0.000 0.775 627 P CB 0.238 31.874 31.700 -0.106 0.000 0.854 628 H N 0.574 119.664 119.070 0.034 0.000 2.800 628 H HA 0.238 4.794 4.556 0.001 0.000 0.291 628 H C 0.353 175.669 175.328 -0.019 0.000 1.076 628 H CA -0.020 56.032 56.048 0.008 0.000 1.452 628 H CB 0.039 29.870 29.762 0.115 0.000 1.461 628 H HN 0.383 nan 8.280 nan 0.000 0.488 629 T N 0.442 115.006 114.554 0.016 0.000 2.855 629 T HA 0.773 5.123 4.350 0.001 0.000 0.281 629 T C 0.349 174.990 174.700 -0.097 0.000 1.007 629 T CA -0.958 61.118 62.100 -0.039 0.000 1.009 629 T CB 2.288 71.115 68.868 -0.069 0.000 0.983 629 T HN 0.621 nan 8.240 nan 0.000 0.455 630 A N 1.844 124.596 122.820 -0.114 0.000 2.468 630 A HA 0.890 5.211 4.320 0.001 0.000 0.270 630 A C -0.049 177.396 177.584 -0.231 0.000 1.217 630 A CA -0.966 50.986 52.037 -0.141 0.000 0.908 630 A CB 0.922 19.880 19.000 -0.070 0.000 1.423 630 A HN 0.829 nan 8.150 nan 0.000 0.459 631 T N 0.905 115.355 114.554 -0.174 0.000 2.792 631 T HA 0.504 4.855 4.350 0.001 0.000 0.280 631 T C -1.194 173.504 174.700 -0.003 0.000 0.990 631 T CA -0.074 61.918 62.100 -0.180 0.000 0.960 631 T CB 0.912 69.731 68.868 -0.082 0.000 0.939 631 T HN 0.477 nan 8.240 nan 0.000 0.439 632 L N 4.245 125.485 121.223 0.028 0.000 2.295 632 L HA 0.533 4.874 4.340 0.001 0.000 0.281 632 L C 0.015 177.030 176.870 0.242 0.000 1.018 632 L CA -0.519 54.389 54.840 0.113 0.000 0.841 632 L CB 0.586 42.682 42.059 0.061 0.000 1.218 632 L HN 0.528 nan 8.230 nan 0.000 0.424 633 R N 3.724 124.285 120.500 0.101 0.000 2.265 633 R HA 0.247 4.588 4.340 0.001 0.000 0.328 633 R C -0.601 175.533 176.300 -0.276 0.000 0.969 633 R CA -0.498 55.559 56.100 -0.071 0.000 0.832 633 R CB 0.735 30.856 30.300 -0.299 0.000 1.139 633 R HN 0.665 nan 8.270 nan 0.000 0.457 634 D N 4.984 124.967 120.400 -0.695 0.000 2.359 634 D HA -0.022 4.618 4.640 0.001 0.000 0.250 634 D C 1.037 176.989 176.300 -0.580 0.000 1.264 634 D CA 0.036 53.498 54.000 -0.896 0.000 0.911 634 D CB 0.716 40.189 40.800 -2.211 0.000 1.056 634 D HN 0.686 nan 8.370 nan 0.000 0.499 635 R N 3.763 124.008 120.500 -0.426 0.000 2.234 635 R HA -0.262 4.079 4.340 0.001 0.000 0.262 635 R C 0.587 176.525 176.300 -0.602 0.000 1.150 635 R CA 2.287 58.117 56.100 -0.450 0.000 0.981 635 R CB 0.011 30.078 30.300 -0.388 0.000 0.899 635 R HN 0.553 nan 8.270 nan 0.000 0.458 636 D N -0.523 119.562 120.400 -0.526 0.000 2.091 636 D HA -0.086 4.555 4.640 0.001 0.000 0.199 636 D C 1.784 177.791 176.300 -0.488 0.000 0.980 636 D CA 1.892 55.562 54.000 -0.550 0.000 0.831 636 D CB -0.232 40.446 40.800 -0.205 0.000 0.987 636 D HN 0.435 nan 8.370 nan 0.000 0.460 637 S N -0.183 115.298 115.700 -0.366 0.000 2.593 637 S HA 0.092 4.562 4.470 0.001 0.000 0.217 637 S C 1.367 175.846 174.600 -0.202 0.000 0.966 637 S CA -0.085 57.982 58.200 -0.221 0.000 0.914 637 S CB -0.095 63.055 63.200 -0.085 0.000 0.776 637 S HN 0.184 nan 8.310 nan 0.000 0.523 638 M N -0.309 119.108 119.600 -0.305 0.000 2.778 638 M HA -0.250 4.231 4.480 0.001 0.000 0.158 638 M C -0.148 176.082 176.300 -0.118 0.000 0.672 638 M CA 0.995 56.144 55.300 -0.251 0.000 0.559 638 M CB -1.138 31.336 32.600 -0.211 0.000 2.047 638 M HN 0.444 nan 8.290 nan 0.000 0.390 639 R N 1.269 121.755 120.500 -0.023 0.000 2.389 639 R HA 0.325 4.665 4.340 0.001 0.000 0.295 639 R C 0.069 176.563 176.300 0.324 0.000 1.075 639 R CA 0.107 56.313 56.100 0.177 0.000 1.005 639 R CB 0.605 31.115 30.300 0.349 0.000 0.987 639 R HN 0.370 nan 8.270 nan 0.000 0.452 640 Q N 1.814 121.790 119.800 0.294 0.000 2.248 640 Q HA 0.486 4.827 4.340 0.001 0.000 0.263 640 Q C -0.451 175.751 176.000 0.337 0.000 1.007 640 Q CA -0.835 55.185 55.803 0.361 0.000 0.877 640 Q CB 2.119 31.082 28.738 0.374 0.000 1.315 640 Q HN 0.328 nan 8.270 nan 0.000 0.454 641 I N 0.999 121.713 120.570 0.239 0.000 2.846 641 I HA 0.430 4.601 4.170 0.001 0.000 0.307 641 I C -0.842 175.244 176.117 -0.052 0.000 1.053 641 I CA -0.850 60.480 61.300 0.049 0.000 1.050 641 I CB 2.151 40.060 38.000 -0.152 0.000 1.239 641 I HN 0.547 nan 8.210 nan 0.000 0.439 642 R N 3.595 124.053 120.500 -0.070 0.000 2.358 642 R HA 0.738 5.079 4.340 0.001 0.000 0.309 642 R C -1.315 174.956 176.300 -0.049 0.000 1.026 642 R CA -0.287 55.703 56.100 -0.183 0.000 0.909 642 R CB 1.087 31.267 30.300 -0.199 0.000 1.153 642 R HN 0.705 nan 8.270 nan 0.000 0.515 643 A N 2.490 125.267 122.820 -0.072 0.000 2.430 643 A HA 0.503 4.823 4.320 0.001 0.000 0.300 643 A C -0.835 176.758 177.584 0.015 0.000 1.124 643 A CA -0.778 51.288 52.037 0.049 0.000 0.766 643 A CB 1.081 20.015 19.000 -0.110 0.000 1.328 643 A HN 0.722 nan 8.150 nan 0.000 0.424 644 E N 0.244 120.488 120.200 0.074 0.000 2.418 644 E HA 0.059 4.410 4.350 0.001 0.000 0.261 644 E C 0.438 177.066 176.600 0.048 0.000 1.070 644 E CA -0.077 56.356 56.400 0.054 0.000 0.931 644 E CB 0.557 30.297 29.700 0.066 0.000 0.954 644 E HN 0.579 nan 8.360 nan 0.000 0.439 645 I N 2.591 123.205 120.570 0.072 0.000 2.439 645 I HA -0.222 3.948 4.170 0.001 0.000 0.251 645 I C 2.085 178.242 176.117 0.068 0.000 1.139 645 I CA 1.322 62.663 61.300 0.069 0.000 1.438 645 I CB 0.003 38.073 38.000 0.115 0.000 1.085 645 I HN 0.542 nan 8.210 nan 0.000 0.427 646 S N -0.846 114.903 115.700 0.081 0.000 2.522 646 S HA -0.036 4.434 4.470 0.001 0.000 0.227 646 S C 1.559 176.198 174.600 0.065 0.000 0.986 646 S CA 0.489 58.730 58.200 0.068 0.000 0.929 646 S CB -0.248 62.992 63.200 0.066 0.000 0.769 646 S HN 0.535 nan 8.310 nan 0.000 0.529 647 E N 0.685 120.920 120.200 0.059 0.000 2.400 647 E HA 0.222 4.572 4.350 0.001 0.000 0.195 647 E C 1.713 178.316 176.600 0.005 0.000 1.012 647 E CA 0.036 56.468 56.400 0.054 0.000 0.875 647 E CB -0.123 29.633 29.700 0.094 0.000 0.859 647 E HN 0.462 nan 8.360 nan 0.000 0.498 648 L N 1.154 122.368 121.223 -0.015 0.000 2.013 648 L HA -0.179 4.161 4.340 0.001 0.000 0.212 648 L C -0.621 176.214 176.870 -0.057 0.000 1.073 648 L CA 1.675 56.477 54.840 -0.062 0.000 0.753 648 L CB -1.391 40.642 42.059 -0.044 0.000 0.890 648 L HN 0.098 nan 8.230 nan 0.000 0.432 649 P HA -0.194 nan 4.420 nan 0.000 0.216 649 P C 1.750 178.932 177.300 -0.197 0.000 1.153 649 P CA 2.009 65.130 63.100 0.035 0.000 0.858 649 P CB -0.059 31.783 31.700 0.236 0.000 0.789 650 S N -1.969 113.553 115.700 -0.297 0.000 2.481 650 S HA -0.034 4.436 4.470 0.001 0.000 0.231 650 S C 1.888 176.324 174.600 -0.273 0.000 0.996 650 S CA 0.687 58.571 58.200 -0.527 0.000 0.942 650 S CB -1.287 61.757 63.200 -0.260 0.000 0.768 650 S HN 0.081 nan 8.310 nan 0.000 0.520 651 I N 1.117 121.573 120.570 -0.190 0.000 2.339 651 I HA -0.051 4.119 4.170 0.001 0.000 0.245 651 I C 2.208 178.209 176.117 -0.195 0.000 1.096 651 I CA 0.645 61.835 61.300 -0.183 0.000 1.408 651 I CB -0.226 37.634 38.000 -0.233 0.000 1.092 651 I HN 0.179 nan 8.210 nan 0.000 0.423 652 V N 0.735 120.549 119.914 -0.167 0.000 2.490 652 V HA -0.304 3.817 4.120 0.001 0.000 0.250 652 V C 2.358 178.409 176.094 -0.072 0.000 1.061 652 V CA 1.820 64.032 62.300 -0.146 0.000 1.064 652 V CB -0.800 31.025 31.823 0.004 0.000 0.670 652 V HN 0.507 nan 8.190 nan 0.000 0.461 653 Q N 0.162 119.907 119.800 -0.093 0.000 1.967 653 Q HA -0.241 4.099 4.340 0.001 0.000 0.202 653 Q C 2.125 178.101 176.000 -0.039 0.000 0.985 653 Q CA 2.116 57.884 55.803 -0.058 0.000 0.839 653 Q CB -0.236 28.391 28.738 -0.184 0.000 0.906 653 Q HN 0.554 nan 8.270 nan 0.000 0.423 654 D N 0.310 120.661 120.400 -0.082 0.000 2.158 654 D HA -0.185 4.455 4.640 0.001 0.000 0.197 654 D C 2.052 178.335 176.300 -0.028 0.000 0.995 654 D CA 1.008 54.981 54.000 -0.044 0.000 0.846 654 D CB -0.098 40.670 40.800 -0.054 0.000 0.941 654 D HN 0.276 nan 8.370 nan 0.000 0.456 655 L N 0.703 121.874 121.223 -0.087 0.000 1.994 655 L HA -0.194 4.147 4.340 0.001 0.000 0.208 655 L C 2.583 179.490 176.870 0.061 0.000 1.071 655 L CA 1.552 56.321 54.840 -0.118 0.000 0.745 655 L CB -0.331 41.433 42.059 -0.492 0.000 0.892 655 L HN -0.038 nan 8.230 nan 0.000 0.431 656 A N -0.068 122.846 122.820 0.156 0.000 1.902 656 A HA -0.237 4.083 4.320 0.001 0.000 0.217 656 A C 1.915 179.599 177.584 0.167 0.000 1.181 656 A CA 2.132 54.347 52.037 0.296 0.000 0.623 656 A CB -0.952 18.227 19.000 0.299 0.000 0.818 656 A HN 0.630 nan 8.150 nan 0.000 0.443 657 N N -0.783 117.982 118.700 0.107 0.000 2.550 657 N HA 0.171 4.912 4.740 0.001 0.000 0.186 657 N C 0.888 176.441 175.510 0.071 0.000 1.110 657 N CA 0.367 53.465 53.050 0.079 0.000 0.912 657 N CB -0.052 38.469 38.487 0.058 0.000 0.968 657 N HN 0.671 nan 8.380 nan 0.000 0.448 658 G N 1.319 110.167 108.800 0.080 0.000 2.171 658 G HA2 -0.272 3.689 3.960 0.001 0.000 0.238 658 G HA3 -0.272 3.689 3.960 0.001 0.000 0.238 658 G C -0.122 174.811 174.900 0.055 0.000 1.039 658 G CA -0.264 44.880 45.100 0.073 0.000 0.759 658 G HN 0.487 nan 8.290 nan 0.000 0.501 659 N N -0.467 118.259 118.700 0.044 0.000 2.389 659 N HA 0.599 5.340 4.740 0.001 0.000 0.260 659 N C -0.367 175.156 175.510 0.022 0.000 1.191 659 N CA -0.064 53.004 53.050 0.030 0.000 0.885 659 N CB 0.648 39.148 38.487 0.022 0.000 1.162 659 N HN 0.463 nan 8.380 nan 0.000 0.512 660 I N -0.606 119.983 120.570 0.031 0.000 2.573 660 I HA -0.076 4.094 4.170 0.001 0.000 0.298 660 I C -0.940 175.208 176.117 0.051 0.000 1.836 660 I CA -0.333 60.982 61.300 0.025 0.000 1.009 660 I CB 1.704 39.703 38.000 -0.001 0.000 1.590 660 I HN -0.094 nan 8.210 nan 0.000 0.532 661 T N 4.439 119.027 114.554 0.057 0.000 2.881 661 T HA 0.114 4.465 4.350 0.001 0.000 0.278 661 T C 0.560 175.341 174.700 0.135 0.000 0.982 661 T CA -0.137 62.027 62.100 0.106 0.000 0.989 661 T CB 1.363 70.285 68.868 0.090 0.000 1.058 661 T HN 0.749 nan 8.240 nan 0.000 0.529 662 W N 0.698 121.992 121.300 -0.011 0.000 2.436 662 W HA -0.028 4.632 4.660 0.001 0.000 0.284 662 W C 1.975 178.485 176.519 -0.014 0.000 1.225 662 W CA 0.895 58.222 57.345 -0.029 0.000 1.271 662 W CB -0.206 29.255 29.460 0.001 0.000 1.114 662 W HN 0.819 nan 8.180 nan 0.000 0.559 663 A N 0.964 123.776 122.820 -0.013 0.000 1.902 663 A HA -0.246 4.075 4.320 0.001 0.000 0.217 663 A C 1.622 179.115 177.584 -0.153 0.000 1.181 663 A CA 1.990 53.964 52.037 -0.106 0.000 0.623 663 A CB -1.083 17.919 19.000 0.003 0.000 0.818 663 A HN 0.258 nan 8.150 nan 0.000 0.443 664 D N -0.001 120.344 120.400 -0.092 0.000 2.182 664 D HA -0.120 4.521 4.640 0.001 0.000 0.201 664 D C 2.042 178.285 176.300 -0.096 0.000 0.986 664 D CA 1.554 55.512 54.000 -0.069 0.000 0.847 664 D CB -0.333 40.452 40.800 -0.026 0.000 0.942 664 D HN 0.317 nan 8.370 nan 0.000 0.467 665 V N 1.553 121.332 119.914 -0.224 0.000 2.255 665 V HA -0.206 3.915 4.120 0.001 0.000 0.243 665 V C 2.280 178.246 176.094 -0.214 0.000 1.038 665 V CA 1.468 63.612 62.300 -0.259 0.000 1.008 665 V CB -0.669 30.763 31.823 -0.652 0.000 0.645 665 V HN 0.132 nan 8.190 nan 0.000 0.449 666 E N 0.594 120.543 120.200 -0.418 0.000 2.284 666 E HA -0.258 4.093 4.350 0.001 0.000 0.200 666 E C 2.136 178.662 176.600 -0.124 0.000 1.008 666 E CA 1.390 57.625 56.400 -0.275 0.000 0.829 666 E CB -0.272 29.251 29.700 -0.295 0.000 0.744 666 E HN 0.644 nan 8.360 nan 0.000 0.491 667 A N 0.852 123.610 122.820 -0.103 0.000 1.943 667 A HA -0.011 4.310 4.320 0.001 0.000 0.213 667 A C 2.003 179.548 177.584 -0.065 0.000 1.181 667 A CA 0.476 52.473 52.037 -0.067 0.000 0.653 667 A CB 0.051 19.015 19.000 -0.059 0.000 0.833 667 A HN 0.024 nan 8.150 nan 0.000 0.451 668 R N -1.964 118.514 120.500 -0.036 0.000 2.100 668 R HA 0.124 4.465 4.340 0.001 0.000 0.220 668 R C -0.189 175.884 176.300 -0.379 0.000 1.091 668 R CA 0.617 56.614 56.100 -0.173 0.000 0.986 668 R CB -0.100 30.125 30.300 -0.124 0.000 0.888 668 R HN 0.542 nan 8.270 nan 0.000 0.444 669 Y N 0.414 120.642 120.300 -0.119 0.000 2.631 669 Y HA 0.385 4.935 4.550 0.001 0.000 0.328 669 Y C -2.077 173.768 175.900 -0.091 0.000 1.118 669 Y CA -3.379 54.660 58.100 -0.103 0.000 1.206 669 Y CB 0.243 38.632 38.460 -0.119 0.000 1.337 669 Y HN -0.116 nan 8.280 nan 0.000 0.515 670 P HA 0.239 nan 4.420 nan 0.000 0.284 670 P C -0.463 176.882 177.300 0.074 0.000 1.253 670 P CA -0.170 62.963 63.100 0.055 0.000 0.800 670 P CB 1.261 32.992 31.700 0.053 0.000 0.961 671 L N 1.874 123.137 121.223 0.067 0.000 2.416 671 L HA 0.270 4.611 4.340 0.001 0.000 0.212 671 L C 0.604 177.614 176.870 0.233 0.000 1.200 671 L CA 0.233 55.132 54.840 0.099 0.000 0.841 671 L CB -0.331 41.763 42.059 0.059 0.000 1.299 671 L HN 0.388 nan 8.230 nan 0.000 0.538 672 F N 0.378 120.340 119.950 0.021 0.000 3.613 672 F HA 0.219 4.746 4.527 0.001 0.000 0.422 672 F C -0.122 175.698 175.800 0.034 0.000 1.068 672 F CA -0.748 57.270 58.000 0.030 0.000 1.450 672 F CB 0.168 39.191 39.000 0.039 0.000 2.555 672 F HN 0.414 nan 8.300 nan 0.000 0.763 673 E N 0.000 120.053 120.200 -0.245 0.000 2.725 673 E HA 0.000 4.350 4.350 0.001 0.000 0.291 673 E CA 0.000 56.248 56.400 -0.253 0.000 0.976 673 E CB 0.000 29.608 29.700 -0.153 0.000 0.812 673 E HN 0.000 nan 8.360 nan 0.000 0.440