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 2q5h_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 XXYACDCWDA 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 0.000 176.078 176.117 -0.065 0.000 1.063 64 I CA 0.000 61.257 61.300 -0.072 0.000 1.566 64 I CB 0.000 37.966 38.000 -0.056 0.000 1.214 65 V N 2.177 122.048 119.914 -0.071 0.000 2.872 65 V HA 0.042 4.162 4.120 -0.000 0.000 0.307 65 V C 0.339 176.385 176.094 -0.080 0.000 1.072 65 V CA 0.775 63.039 62.300 -0.060 0.000 1.148 65 V CB 1.295 33.075 31.823 -0.072 0.000 0.954 65 V HN 0.313 nan 8.190 nan 0.000 0.490 66 D N 5.374 125.738 120.400 -0.060 0.000 2.435 66 D HA 0.098 4.738 4.640 -0.000 0.000 0.230 66 D C 1.165 177.359 176.300 -0.177 0.000 1.215 66 D CA 0.150 54.100 54.000 -0.082 0.000 0.947 66 D CB 0.286 41.074 40.800 -0.019 0.000 1.048 66 D HN 0.627 nan 8.370 nan 0.000 0.512 67 R N 2.998 123.399 120.500 -0.165 0.000 2.096 67 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 67 R C 1.685 177.885 176.300 -0.167 0.000 1.127 67 R CA 1.340 57.334 56.100 -0.176 0.000 0.968 67 R CB 0.080 30.297 30.300 -0.139 0.000 0.861 67 R HN 0.464 nan 8.270 nan 0.000 0.440 68 A N 1.225 123.970 122.820 -0.126 0.000 1.858 68 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 68 A C 2.091 179.600 177.584 -0.125 0.000 1.190 68 A CA 1.615 53.595 52.037 -0.095 0.000 0.617 68 A CB -0.473 18.489 19.000 -0.062 0.000 0.827 68 A HN 0.323 nan 8.150 nan 0.000 0.443 69 K N -1.081 119.240 120.400 -0.132 0.000 2.063 69 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 69 K C 2.178 178.620 176.600 -0.264 0.000 1.048 69 K CA 1.797 58.025 56.287 -0.099 0.000 0.928 69 K CB -0.237 32.280 32.500 0.028 0.000 0.713 69 K HN 0.572 nan 8.250 nan 0.000 0.442 70 M N 0.766 119.957 119.600 -0.681 0.000 2.059 70 M HA -0.219 4.261 4.480 -0.000 0.000 0.259 70 M C 1.678 177.713 176.300 -0.442 0.000 1.072 70 M CA 1.828 56.495 55.300 -1.056 0.000 1.117 70 M CB -0.101 31.768 32.600 -1.219 0.000 1.320 70 M HN 0.148 nan 8.290 nan 0.000 0.408 71 E N 0.182 120.213 120.200 -0.282 0.000 2.130 71 E HA -0.275 4.075 4.350 -0.000 0.000 0.196 71 E C 1.633 178.143 176.600 -0.149 0.000 0.998 71 E CA 1.670 57.971 56.400 -0.165 0.000 0.806 71 E CB -0.200 29.462 29.700 -0.063 0.000 0.738 71 E HN 0.560 nan 8.360 nan 0.000 0.459 72 D N -0.149 120.181 120.400 -0.116 0.000 2.087 72 D HA -0.143 4.497 4.640 -0.000 0.000 0.192 72 D C 1.876 178.152 176.300 -0.040 0.000 0.993 72 D CA 1.759 55.721 54.000 -0.063 0.000 0.828 72 D CB -0.279 40.499 40.800 -0.037 0.000 0.968 72 D HN -0.002 nan 8.370 nan 0.000 0.448 73 T N 0.573 115.112 114.554 -0.025 0.000 2.665 73 T HA -0.147 4.203 4.350 -0.000 0.000 0.268 73 T C 2.137 176.886 174.700 0.082 0.000 1.035 73 T CA 1.058 63.197 62.100 0.066 0.000 1.151 73 T CB -0.434 68.520 68.868 0.144 0.000 0.862 73 T HN 0.153 nan 8.240 nan 0.000 0.438 74 L N 0.479 121.658 121.223 -0.072 0.000 2.042 74 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 74 L C 2.781 179.601 176.870 -0.082 0.000 1.076 74 L CA 1.494 56.221 54.840 -0.188 0.000 0.749 74 L CB -0.394 41.327 42.059 -0.563 0.000 0.893 74 L HN 0.205 nan 8.230 nan 0.000 0.432 75 K N -0.212 120.114 120.400 -0.124 0.000 2.062 75 K HA -0.161 4.159 4.320 -0.000 0.000 0.205 75 K C 2.349 178.962 176.600 0.022 0.000 1.051 75 K CA 0.814 57.062 56.287 -0.065 0.000 0.941 75 K CB 0.037 32.489 32.500 -0.081 0.000 0.719 75 K HN 0.126 nan 8.250 nan 0.000 0.440 76 R N 0.436 120.959 120.500 0.037 0.000 2.081 76 R HA -0.062 4.278 4.340 -0.000 0.000 0.235 76 R C 1.633 177.998 176.300 0.108 0.000 1.131 76 R CA 1.252 57.385 56.100 0.055 0.000 0.960 76 R CB 0.100 30.435 30.300 0.058 0.000 0.856 76 R HN 0.065 nan 8.270 nan 0.000 0.436 77 R N -0.439 120.170 120.500 0.181 0.000 2.317 77 R HA 0.033 4.373 4.340 -0.000 0.000 0.208 77 R C 0.367 176.803 176.300 0.228 0.000 0.914 77 R CA -0.105 56.116 56.100 0.201 0.000 1.060 77 R CB -0.676 29.782 30.300 0.263 0.000 1.015 77 R HN 0.366 nan 8.270 nan 0.000 0.498 78 F N 0.233 120.207 119.950 0.040 0.000 3.040 78 F HA -0.335 4.192 4.527 -0.000 0.000 0.298 78 F C -0.019 175.792 175.800 0.019 0.000 0.948 78 F CA -0.660 57.350 58.000 0.017 0.000 1.022 78 F CB -1.264 37.739 39.000 0.005 0.000 1.023 78 F HN 0.003 nan 8.300 nan 0.000 0.742 79 F N 0.633 120.635 119.950 0.086 0.000 2.075 79 F HA -0.078 4.449 4.527 -0.000 0.000 0.297 79 F C 1.148 177.075 175.800 0.211 0.000 1.113 79 F CA 2.477 60.524 58.000 0.079 0.000 1.218 79 F CB -0.181 38.785 39.000 -0.056 0.000 0.984 79 F HN 0.319 nan 8.300 nan 0.000 0.472 80 Y N -3.213 117.257 120.300 0.284 0.000 2.624 80 Y HA 0.616 5.166 4.550 -0.000 0.000 0.334 80 Y C -1.607 174.415 175.900 0.203 0.000 1.155 80 Y CA -1.875 56.277 58.100 0.086 0.000 1.046 80 Y CB 1.128 39.413 38.460 -0.292 0.000 1.316 80 Y HN -0.209 nan 8.280 nan 0.000 0.457 81 D N 0.494 121.138 120.400 0.407 0.000 2.639 81 D HA 0.145 4.785 4.640 -0.000 0.000 0.271 81 D C -1.648 174.870 176.300 0.363 0.000 1.254 81 D CA -0.671 53.520 54.000 0.319 0.000 0.810 81 D CB 2.466 43.355 40.800 0.148 0.000 1.351 81 D HN 0.760 nan 8.370 nan 0.000 0.427 82 Q N 0.819 120.749 119.800 0.217 0.000 2.239 82 Q HA 0.432 4.772 4.340 -0.000 0.000 0.286 82 Q C -0.688 175.293 176.000 -0.030 0.000 1.102 82 Q CA -0.005 55.809 55.803 0.019 0.000 0.936 82 Q CB 0.450 29.204 28.738 0.027 0.000 1.127 82 Q HN 0.371 nan 8.270 nan 0.000 0.380 83 A N 4.459 127.211 122.820 -0.114 0.000 2.462 83 A HA 0.308 4.628 4.320 -0.000 0.000 0.243 83 A C -0.309 177.265 177.584 -0.017 0.000 1.076 83 A CA 0.022 51.950 52.037 -0.182 0.000 0.773 83 A CB -0.387 18.504 19.000 -0.182 0.000 1.010 83 A HN 1.019 nan 8.150 nan 0.000 0.493 84 F N -0.596 119.377 119.950 0.038 0.000 3.093 84 F HA -0.334 4.193 4.527 -0.000 0.000 0.287 84 F C 1.741 177.600 175.800 0.099 0.000 0.882 84 F CA 0.551 58.599 58.000 0.080 0.000 1.063 84 F CB -1.980 37.046 39.000 0.043 0.000 1.097 84 F HN 0.764 nan 8.300 nan 0.000 0.604 85 A N 1.026 123.927 122.820 0.135 0.000 1.903 85 A HA -0.206 4.114 4.320 -0.000 0.000 0.219 85 A C 2.141 179.782 177.584 0.095 0.000 1.191 85 A CA 2.186 54.275 52.037 0.087 0.000 0.638 85 A CB -0.673 18.337 19.000 0.016 0.000 0.823 85 A HN 0.838 nan 8.150 nan 0.000 0.451 86 I N -4.978 115.652 120.570 0.099 0.000 2.676 86 I HA -0.112 4.058 4.170 -0.000 0.000 0.259 86 I C 1.884 177.986 176.117 -0.025 0.000 1.194 86 I CA 1.371 62.683 61.300 0.021 0.000 1.473 86 I CB -0.353 37.637 38.000 -0.016 0.000 1.096 86 I HN 0.240 nan 8.210 nan 0.000 0.443 87 Y N 2.062 122.414 120.300 0.087 0.000 2.490 87 Y HA 0.318 4.868 4.550 -0.000 0.000 0.281 87 Y C 1.925 177.856 175.900 0.052 0.000 1.174 87 Y CA 0.753 58.897 58.100 0.074 0.000 1.295 87 Y CB 0.646 39.166 38.460 0.099 0.000 1.062 87 Y HN 0.480 nan 8.280 nan 0.000 0.522 88 G N -1.430 107.462 108.800 0.153 0.000 2.316 88 G HA2 0.068 4.028 3.960 -0.000 0.000 0.203 88 G HA3 0.068 4.028 3.960 -0.000 0.000 0.203 88 G C 0.537 175.497 174.900 0.099 0.000 0.999 88 G CA -0.305 44.853 45.100 0.096 0.000 0.649 88 G HN 0.962 nan 8.290 nan 0.000 0.489 89 G N -1.859 107.033 108.800 0.154 0.000 2.690 89 G HA2 0.349 4.309 3.960 -0.000 0.000 0.686 89 G HA3 0.349 4.309 3.960 -0.000 0.000 0.686 89 G C -0.627 174.339 174.900 0.111 0.000 1.277 89 G CA 0.066 45.248 45.100 0.137 0.000 0.799 89 G HN 1.532 nan 8.290 nan 0.000 0.613 90 V N 0.996 120.973 119.914 0.105 0.000 2.709 90 V HA 0.728 4.848 4.120 -0.000 0.000 0.308 90 V C 0.791 176.883 176.094 -0.003 0.000 1.062 90 V CA -0.141 62.190 62.300 0.051 0.000 0.901 90 V CB 1.975 33.829 31.823 0.051 0.000 1.003 90 V HN 1.719 nan 8.190 nan 0.000 0.425 91 S N 2.300 118.004 115.700 0.006 0.000 2.564 91 S HA 0.513 4.983 4.470 -0.000 0.000 0.278 91 S C 1.220 175.830 174.600 0.016 0.000 1.333 91 S CA 0.310 58.509 58.200 -0.002 0.000 1.048 91 S CB 1.057 64.278 63.200 0.034 0.000 0.900 91 S HN 2.301 nan 8.310 nan 0.000 0.505 92 G N 1.287 110.091 108.800 0.007 0.000 2.168 92 G HA2 -0.220 3.739 3.960 -0.000 0.000 0.263 92 G HA3 -0.220 3.739 3.960 -0.000 0.000 0.263 92 G C -0.215 174.728 174.900 0.073 0.000 0.977 92 G CA 0.400 45.565 45.100 0.109 0.000 0.659 92 G HN 0.756 nan 8.290 nan 0.000 0.533 93 L N -0.536 120.588 121.223 -0.164 0.000 2.381 93 L HA 0.710 5.050 4.340 -0.000 0.000 0.274 93 L C -0.620 175.998 176.870 -0.420 0.000 0.988 93 L CA -1.203 53.580 54.840 -0.095 0.000 0.824 93 L CB 1.723 43.835 42.059 0.088 0.000 1.263 93 L HN 0.098 nan 8.230 nan 0.000 0.410 94 Y N 0.513 120.826 120.300 0.022 0.000 2.477 94 Y HA 0.382 4.932 4.550 -0.000 0.000 0.347 94 Y C -0.463 175.346 175.900 -0.153 0.000 0.981 94 Y CA -1.064 56.982 58.100 -0.089 0.000 1.033 94 Y CB 2.083 40.406 38.460 -0.228 0.000 1.245 94 Y HN 0.451 nan 8.280 nan 0.000 0.455 95 D N 2.134 122.554 120.400 0.032 0.000 2.175 95 D HA 0.322 4.962 4.640 -0.000 0.000 0.248 95 D C -1.110 175.176 176.300 -0.024 0.000 1.047 95 D CA -0.158 53.878 54.000 0.060 0.000 0.883 95 D CB 1.092 41.971 40.800 0.132 0.000 1.180 95 D HN 0.212 nan 8.370 nan 0.000 0.438 96 F N 0.647 120.658 119.950 0.101 0.000 2.411 96 F HA 0.445 4.972 4.527 -0.000 0.000 0.352 96 F C 1.311 176.871 175.800 -0.400 0.000 1.123 96 F CA -0.705 57.284 58.000 -0.019 0.000 1.044 96 F CB 1.509 40.518 39.000 0.015 0.000 1.135 96 F HN 0.209 nan 8.300 nan 0.000 0.461 97 G N 3.232 111.513 108.800 -0.865 0.000 2.616 97 G HA2 0.291 4.251 3.960 -0.000 0.000 0.268 97 G HA3 0.291 4.251 3.960 -0.000 0.000 0.268 97 G C -1.722 172.834 174.900 -0.574 0.000 1.213 97 G CA -1.268 42.882 45.100 -1.583 0.000 0.926 97 G HN 0.384 nan 8.290 nan 0.000 0.523 98 P HA -0.167 nan 4.420 nan 0.000 0.216 98 P C 2.094 179.290 177.300 -0.172 0.000 1.157 98 P CA 1.305 64.297 63.100 -0.181 0.000 0.880 98 P CB -0.100 31.544 31.700 -0.093 0.000 0.791 99 V N 0.380 120.137 119.914 -0.262 0.000 2.255 99 V HA -0.189 3.931 4.120 -0.000 0.000 0.247 99 V C 2.857 178.770 176.094 -0.301 0.000 1.051 99 V CA 2.524 64.598 62.300 -0.377 0.000 1.018 99 V CB -2.151 29.189 31.823 -0.805 0.000 0.641 99 V HN 0.175 nan 8.190 nan 0.000 0.445 100 G N -1.073 107.609 108.800 -0.196 0.000 2.440 100 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.218 100 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.218 100 G C 1.738 176.672 174.900 0.057 0.000 1.154 100 G CA 1.392 46.603 45.100 0.185 0.000 0.767 100 G HN 0.532 nan 8.290 nan 0.000 0.552 101 C N 0.886 120.171 119.300 -0.026 0.000 2.413 101 C HA 0.118 4.578 4.460 -0.000 0.000 0.276 101 C C 3.543 178.488 174.990 -0.075 0.000 1.248 101 C CA 0.856 59.827 59.018 -0.078 0.000 1.742 101 C CB -1.046 26.654 27.740 -0.066 0.000 2.017 101 C HN 0.593 nan 8.230 nan 0.000 0.481 102 A N 0.105 122.891 122.820 -0.058 0.000 1.873 102 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 102 A C 2.066 179.618 177.584 -0.054 0.000 1.193 102 A CA 2.055 54.072 52.037 -0.033 0.000 0.629 102 A CB -0.775 18.223 19.000 -0.004 0.000 0.826 102 A HN 0.516 nan 8.150 nan 0.000 0.447 103 L N -0.285 120.897 121.223 -0.068 0.000 1.994 103 L HA -0.148 4.192 4.340 -0.000 0.000 0.208 103 L C 2.431 179.219 176.870 -0.138 0.000 1.071 103 L CA 2.641 57.409 54.840 -0.120 0.000 0.745 103 L CB -0.457 41.557 42.059 -0.076 0.000 0.892 103 L HN 0.476 nan 8.230 nan 0.000 0.431 104 K N -0.688 119.627 120.400 -0.140 0.000 2.032 104 K HA -0.230 4.090 4.320 -0.000 0.000 0.209 104 K C 1.929 178.445 176.600 -0.140 0.000 1.048 104 K CA 1.870 58.038 56.287 -0.199 0.000 0.927 104 K CB -0.140 32.165 32.500 -0.325 0.000 0.712 104 K HN 0.382 nan 8.250 nan 0.000 0.441 105 N N 1.058 119.694 118.700 -0.106 0.000 2.149 105 N HA -0.152 4.588 4.740 -0.000 0.000 0.188 105 N C 1.341 176.835 175.510 -0.027 0.000 1.019 105 N CA 1.495 54.509 53.050 -0.060 0.000 0.857 105 N CB -0.550 37.912 38.487 -0.042 0.000 0.997 105 N HN 0.379 nan 8.380 nan 0.000 0.426 106 N N 0.629 119.308 118.700 -0.036 0.000 2.080 106 N HA 0.017 4.757 4.740 -0.000 0.000 0.189 106 N C 1.797 177.310 175.510 0.004 0.000 1.036 106 N CA 0.611 53.652 53.050 -0.015 0.000 0.846 106 N CB -0.044 38.416 38.487 -0.044 0.000 1.015 106 N HN 0.130 nan 8.380 nan 0.000 0.423 107 I N 1.379 121.929 120.570 -0.035 0.000 2.194 107 I HA -0.304 3.866 4.170 -0.000 0.000 0.246 107 I C 2.031 178.237 176.117 0.149 0.000 1.093 107 I CA 1.305 62.620 61.300 0.025 0.000 1.355 107 I CB -0.298 37.672 38.000 -0.049 0.000 1.046 107 I HN 0.209 nan 8.210 nan 0.000 0.413 108 I N -0.297 120.308 120.570 0.058 0.000 2.202 108 I HA -0.262 3.908 4.170 -0.000 0.000 0.242 108 I C 2.665 178.889 176.117 0.179 0.000 1.091 108 I CA 1.030 62.374 61.300 0.073 0.000 1.368 108 I CB -0.455 37.529 38.000 -0.028 0.000 1.058 108 I HN 0.292 nan 8.210 nan 0.000 0.410 109 Q N 0.469 120.344 119.800 0.125 0.000 2.084 109 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 109 Q C 2.304 178.409 176.000 0.175 0.000 0.978 109 Q CA 2.060 57.943 55.803 0.132 0.000 0.844 109 Q CB -0.570 28.219 28.738 0.084 0.000 0.898 109 Q HN 0.471 nan 8.270 nan 0.000 0.426 110 T N -0.133 114.536 114.554 0.192 0.000 2.684 110 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 110 T C 1.247 176.159 174.700 0.353 0.000 1.036 110 T CA 1.384 63.619 62.100 0.224 0.000 1.148 110 T CB -0.499 68.475 68.868 0.177 0.000 0.863 110 T HN 0.481 nan 8.240 nan 0.000 0.436 111 W N 2.104 123.549 121.300 0.242 0.000 2.342 111 W HA -0.092 4.568 4.660 -0.000 0.000 0.297 111 W C 2.452 179.011 176.519 0.067 0.000 1.213 111 W CA 0.982 58.343 57.345 0.027 0.000 1.251 111 W CB -0.120 29.226 29.460 -0.189 0.000 1.136 111 W HN 0.095 nan 8.180 nan 0.000 0.526 112 R N -0.566 120.137 120.500 0.338 0.000 2.081 112 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 112 R C 2.321 178.645 176.300 0.040 0.000 1.131 112 R CA 1.633 57.859 56.100 0.209 0.000 0.960 112 R CB -0.532 29.898 30.300 0.216 0.000 0.856 112 R HN 0.178 nan 8.270 nan 0.000 0.436 113 Q N -0.632 119.198 119.800 0.050 0.000 2.123 113 Q HA -0.163 4.177 4.340 -0.000 0.000 0.199 113 Q C 1.840 177.789 176.000 -0.086 0.000 0.966 113 Q CA 1.532 57.338 55.803 0.006 0.000 0.845 113 Q CB -0.355 28.406 28.738 0.038 0.000 0.907 113 Q HN 0.517 nan 8.270 nan 0.000 0.439 114 H N -0.951 117.957 119.070 -0.270 0.000 2.428 114 H HA 0.020 4.576 4.556 -0.000 0.000 0.296 114 H C 0.902 175.722 175.328 -0.847 0.000 1.062 114 H CA 1.306 57.029 56.048 -0.540 0.000 1.350 114 H CB 0.212 29.599 29.762 -0.625 0.000 1.403 114 H HN 0.126 nan 8.280 nan 0.000 0.533 115 F N -1.651 118.040 119.950 -0.431 0.000 2.495 115 F HA 0.161 4.688 4.527 -0.000 0.000 0.271 115 F C 2.108 177.734 175.800 -0.290 0.000 0.889 115 F CA -0.088 57.613 58.000 -0.498 0.000 1.129 115 F CB -0.242 38.104 39.000 -1.090 0.000 1.169 115 F HN -0.072 nan 8.300 nan 0.000 0.781 116 I N 0.465 120.965 120.570 -0.117 0.000 2.069 116 I HA -0.342 3.828 4.170 -0.000 0.000 0.237 116 I C 2.460 178.602 176.117 0.041 0.000 1.053 116 I CA 1.672 62.986 61.300 0.023 0.000 1.311 116 I CB -0.395 37.654 38.000 0.083 0.000 1.030 116 I HN 0.238 nan 8.210 nan 0.000 0.398 117 Q N 0.561 120.369 119.800 0.013 0.000 2.084 117 Q HA -0.267 4.073 4.340 -0.000 0.000 0.202 117 Q C 1.961 177.966 176.000 0.007 0.000 0.978 117 Q CA 1.917 57.731 55.803 0.019 0.000 0.844 117 Q CB -0.131 28.614 28.738 0.011 0.000 0.898 117 Q HN 0.383 nan 8.270 nan 0.000 0.426 118 E N -0.055 120.122 120.200 -0.037 0.000 2.072 118 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 118 E C 0.729 177.344 176.600 0.026 0.000 0.985 118 E CA 1.342 57.713 56.400 -0.047 0.000 0.801 118 E CB 0.088 29.689 29.700 -0.167 0.000 0.750 118 E HN 0.271 nan 8.360 nan 0.000 0.452 119 E N 0.513 120.762 120.200 0.082 0.000 2.465 119 E HA 0.042 4.392 4.350 -0.000 0.000 0.195 119 E C -0.226 176.469 176.600 0.158 0.000 1.028 119 E CA -0.073 56.424 56.400 0.162 0.000 0.899 119 E CB 0.453 30.328 29.700 0.292 0.000 1.032 119 E HN 0.217 nan 8.360 nan 0.000 0.468 120 Q N 0.370 120.240 119.800 0.116 0.000 2.439 120 Q HA -0.203 4.137 4.340 -0.000 0.000 0.325 120 Q C -0.014 176.080 176.000 0.157 0.000 1.372 120 Q CA 0.700 56.574 55.803 0.119 0.000 0.909 120 Q CB -2.045 26.757 28.738 0.106 0.000 1.167 120 Q HN 0.466 nan 8.270 nan 0.000 0.418 121 I N 0.421 121.089 120.570 0.162 0.000 2.638 121 I HA 0.075 4.245 4.170 -0.000 0.000 0.286 121 I C 1.182 177.397 176.117 0.163 0.000 1.088 121 I CA -0.446 60.970 61.300 0.193 0.000 1.397 121 I CB 0.529 38.643 38.000 0.190 0.000 1.414 121 I HN 0.125 nan 8.210 nan 0.000 0.566 122 L N 5.383 126.713 121.223 0.178 0.000 2.295 122 L HA 0.254 4.594 4.340 -0.000 0.000 0.288 122 L C 0.377 177.284 176.870 0.062 0.000 1.079 122 L CA -0.111 54.778 54.840 0.083 0.000 0.830 122 L CB 0.226 42.320 42.059 0.057 0.000 1.200 122 L HN 0.636 nan 8.230 nan 0.000 0.438 123 E N 5.321 125.536 120.200 0.024 0.000 2.259 123 E HA 0.488 4.838 4.350 -0.000 0.000 0.281 123 E C -0.657 175.929 176.600 -0.025 0.000 1.027 123 E CA -0.521 55.901 56.400 0.037 0.000 0.838 123 E CB 1.135 30.867 29.700 0.054 0.000 1.066 123 E HN 0.584 nan 8.360 nan 0.000 0.401 124 I N 0.116 120.684 120.570 -0.004 0.000 3.206 124 I HA 0.677 4.847 4.170 -0.000 0.000 0.313 124 I C -1.127 174.981 176.117 -0.015 0.000 1.103 124 I CA -1.058 60.224 61.300 -0.030 0.000 0.985 124 I CB 2.328 40.311 38.000 -0.029 0.000 1.240 124 I HN 0.388 nan 8.210 nan 0.000 0.464 125 D N 2.166 122.552 120.400 -0.022 0.000 2.337 125 D HA 0.445 5.085 4.640 -0.000 0.000 0.238 125 D C -1.105 175.183 176.300 -0.019 0.000 1.331 125 D CA -0.083 53.906 54.000 -0.019 0.000 0.967 125 D CB 1.120 41.909 40.800 -0.018 0.000 1.382 125 D HN 0.825 nan 8.370 nan 0.000 0.549 126 C N 1.018 120.307 119.300 -0.019 0.000 2.352 126 C HA 0.822 5.282 4.460 -0.000 0.000 0.387 126 C C 0.958 175.938 174.990 -0.016 0.000 1.294 126 C CA -0.711 58.297 59.018 -0.017 0.000 2.137 126 C CB 0.940 28.670 27.740 -0.016 0.000 2.146 126 C HN 0.690 nan 8.230 nan 0.000 0.559 127 T N -1.059 113.486 114.554 -0.016 0.000 2.882 127 T HA 0.325 4.675 4.350 -0.000 0.000 0.287 127 T C 0.649 175.342 174.700 -0.012 0.000 1.014 127 T CA -0.334 61.757 62.100 -0.015 0.000 1.049 127 T CB 0.486 69.342 68.868 -0.019 0.000 1.001 127 T HN 0.575 nan 8.240 nan 0.000 0.525 128 M N 0.346 119.943 119.600 -0.006 0.000 2.287 128 M HA 0.230 4.710 4.480 -0.000 0.000 0.266 128 M C 0.530 176.802 176.300 -0.046 0.000 1.079 128 M CA 0.689 55.992 55.300 0.005 0.000 1.146 128 M CB -0.164 32.471 32.600 0.058 0.000 1.374 128 M HN 0.471 nan 8.290 nan 0.000 0.435 129 L N 1.417 122.602 121.223 -0.064 0.000 2.462 129 L HA 0.064 4.404 4.340 -0.000 0.000 0.272 129 L C -0.464 176.378 176.870 -0.047 0.000 1.166 129 L CA 0.223 55.018 54.840 -0.076 0.000 0.880 129 L CB 0.180 42.195 42.059 -0.074 0.000 1.142 129 L HN 0.106 nan 8.230 nan 0.000 0.473 130 T N 4.172 118.703 114.554 -0.038 0.000 2.937 130 T HA 0.366 4.716 4.350 -0.000 0.000 0.297 130 T C -2.555 172.136 174.700 -0.015 0.000 0.991 130 T CA -1.200 60.895 62.100 -0.008 0.000 0.990 130 T CB 1.977 70.858 68.868 0.023 0.000 0.991 130 T HN 0.318 nan 8.240 nan 0.000 0.440 131 P HA 0.176 nan 4.420 nan 0.000 0.272 131 P C 0.802 178.107 177.300 0.008 0.000 1.223 131 P CA -0.188 62.888 63.100 -0.040 0.000 0.784 131 P CB 1.292 32.980 31.700 -0.019 0.000 0.923 132 E N 2.817 122.991 120.200 -0.043 0.000 2.049 132 E HA -0.196 4.154 4.350 -0.000 0.000 0.198 132 E C -0.838 175.840 176.600 0.130 0.000 1.007 132 E CA 2.129 58.565 56.400 0.061 0.000 0.809 132 E CB -1.489 28.187 29.700 -0.041 0.000 0.749 132 E HN 0.379 nan 8.360 nan 0.000 0.450 133 P HA -0.205 nan 4.420 nan 0.000 0.216 133 P C 1.669 179.049 177.300 0.133 0.000 1.150 133 P CA 1.825 64.981 63.100 0.092 0.000 0.843 133 P CB -0.240 31.501 31.700 0.068 0.000 0.787 134 V N -2.028 117.973 119.914 0.145 0.000 2.343 134 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 134 V C 1.962 178.216 176.094 0.266 0.000 1.051 134 V CA 1.835 64.266 62.300 0.219 0.000 1.036 134 V CB -1.549 30.353 31.823 0.132 0.000 0.654 134 V HN 0.011 nan 8.190 nan 0.000 0.451 135 L N -0.432 120.909 121.223 0.196 0.000 2.395 135 L HA 0.044 4.384 4.340 -0.000 0.000 0.218 135 L C 2.585 179.544 176.870 0.148 0.000 1.130 135 L CA 1.243 56.185 54.840 0.171 0.000 0.826 135 L CB -0.501 41.602 42.059 0.075 0.000 0.941 135 L HN 0.337 nan 8.230 nan 0.000 0.451 136 K N 0.417 120.898 120.400 0.136 0.000 2.002 136 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 136 K C 2.010 178.648 176.600 0.062 0.000 1.048 136 K CA 2.009 58.349 56.287 0.089 0.000 0.930 136 K CB -0.608 31.942 32.500 0.084 0.000 0.714 136 K HN 0.035 nan 8.250 nan 0.000 0.438 137 T N 0.244 114.841 114.554 0.072 0.000 2.737 137 T HA -0.147 4.203 4.350 -0.000 0.000 0.269 137 T C 1.668 176.322 174.700 -0.076 0.000 1.040 137 T CA 1.777 63.873 62.100 -0.008 0.000 1.142 137 T CB -0.452 68.415 68.868 -0.001 0.000 0.861 137 T HN 0.509 nan 8.240 nan 0.000 0.456 138 S N 0.013 115.733 115.700 0.033 0.000 2.607 138 S HA 0.342 4.812 4.470 -0.000 0.000 0.224 138 S C 1.929 176.514 174.600 -0.025 0.000 0.969 138 S CA 0.638 58.883 58.200 0.075 0.000 0.927 138 S CB -0.182 63.248 63.200 0.384 0.000 0.772 138 S HN 0.720 nan 8.310 nan 0.000 0.533 139 G N 1.136 109.919 108.800 -0.027 0.000 2.268 139 G HA2 -0.364 3.595 3.960 -0.000 0.000 0.240 139 G HA3 -0.364 3.595 3.960 -0.000 0.000 0.240 139 G C 0.567 175.414 174.900 -0.088 0.000 1.010 139 G CA 0.473 45.518 45.100 -0.091 0.000 0.618 139 G HN 0.630 nan 8.290 nan 0.000 0.516 140 H N 0.502 119.552 119.070 -0.032 0.000 2.353 140 H HA 0.010 4.566 4.556 -0.000 0.000 0.298 140 H C 2.758 178.031 175.328 -0.092 0.000 1.103 140 H CA 1.986 57.999 56.048 -0.058 0.000 1.293 140 H CB -0.193 29.448 29.762 -0.203 0.000 1.372 140 H HN 0.384 nan 8.280 nan 0.000 0.501 141 V N 0.834 120.742 119.914 -0.011 0.000 2.287 141 V HA -0.281 3.839 4.120 -0.000 0.000 0.248 141 V C 1.840 177.908 176.094 -0.044 0.000 1.053 141 V CA 2.174 64.428 62.300 -0.077 0.000 1.027 141 V CB -0.287 31.543 31.823 0.011 0.000 0.646 141 V HN 0.552 nan 8.190 nan 0.000 0.447 142 D N -0.207 120.177 120.400 -0.027 0.000 2.120 142 D HA -0.063 4.577 4.640 -0.000 0.000 0.202 142 D C 1.992 178.258 176.300 -0.057 0.000 0.972 142 D CA 1.171 55.148 54.000 -0.038 0.000 0.837 142 D CB 0.022 40.800 40.800 -0.036 0.000 0.989 142 D HN 0.450 nan 8.370 nan 0.000 0.469 143 K N -0.593 119.775 120.400 -0.052 0.000 2.402 143 K HA 0.090 4.410 4.320 -0.000 0.000 0.204 143 K C 0.107 176.684 176.600 -0.038 0.000 1.056 143 K CA -0.370 55.873 56.287 -0.073 0.000 1.069 143 K CB 0.834 33.281 32.500 -0.088 0.000 0.888 143 K HN -0.063 nan 8.250 nan 0.000 0.546 144 F N 2.540 122.406 119.950 -0.141 0.000 2.573 144 F HA 0.350 4.877 4.527 -0.000 0.000 0.349 144 F C -0.290 175.423 175.800 -0.144 0.000 1.213 144 F CA -0.739 57.204 58.000 -0.096 0.000 1.300 144 F CB -0.080 38.939 39.000 0.031 0.000 1.661 144 F HN -0.090 nan 8.300 nan 0.000 0.616 145 A N 2.648 125.248 122.820 -0.367 0.000 2.594 145 A HA 0.672 4.992 4.320 -0.000 0.000 0.291 145 A C -1.586 175.766 177.584 -0.387 0.000 1.105 145 A CA -0.828 50.990 52.037 -0.364 0.000 0.694 145 A CB 1.308 20.137 19.000 -0.285 0.000 1.291 145 A HN 0.279 nan 8.150 nan 0.000 0.410 146 D N 0.055 120.291 120.400 -0.272 0.000 2.481 146 D HA 0.546 5.186 4.640 -0.000 0.000 0.244 146 D C -1.019 175.174 176.300 -0.179 0.000 1.057 146 D CA 0.092 53.954 54.000 -0.231 0.000 0.848 146 D CB 1.240 41.979 40.800 -0.101 0.000 1.388 146 D HN 0.351 nan 8.370 nan 0.000 0.475 147 F N 1.306 121.238 119.950 -0.030 0.000 2.484 147 F HA 0.214 4.741 4.527 -0.000 0.000 0.360 147 F C 0.955 176.720 175.800 -0.059 0.000 1.101 147 F CA -0.030 57.945 58.000 -0.041 0.000 1.251 147 F CB 0.725 39.691 39.000 -0.057 0.000 1.132 147 F HN -0.040 nan 8.300 nan 0.000 0.570 148 M N 6.181 125.868 119.600 0.145 0.000 2.165 148 M HA 0.459 4.939 4.480 -0.000 0.000 0.283 148 M C -1.494 174.796 176.300 -0.018 0.000 0.978 148 M CA -0.789 54.524 55.300 0.022 0.000 0.948 148 M CB 1.223 33.783 32.600 -0.067 0.000 1.599 148 M HN 0.387 nan 8.290 nan 0.000 0.450 149 V N 2.583 122.482 119.914 -0.026 0.000 2.863 149 V HA 0.751 4.871 4.120 -0.000 0.000 0.307 149 V C -0.776 175.379 176.094 0.102 0.000 1.061 149 V CA -0.468 61.811 62.300 -0.034 0.000 1.024 149 V CB 1.486 33.239 31.823 -0.116 0.000 1.049 149 V HN 0.933 nan 8.190 nan 0.000 0.471 150 K N 0.816 121.271 120.400 0.092 0.000 2.477 150 K HA 0.481 4.801 4.320 -0.000 0.000 0.255 150 K C -1.244 175.452 176.600 0.160 0.000 0.952 150 K CA -0.735 55.636 56.287 0.140 0.000 0.826 150 K CB 2.317 34.824 32.500 0.013 0.000 1.331 150 K HN 0.662 nan 8.250 nan 0.000 0.437 151 D N 2.090 122.629 120.400 0.232 0.000 2.371 151 D HA 0.023 4.663 4.640 -0.000 0.000 0.256 151 D C 0.855 177.212 176.300 0.095 0.000 1.193 151 D CA -0.095 54.014 54.000 0.182 0.000 0.881 151 D CB 1.485 42.437 40.800 0.253 0.000 1.143 151 D HN 0.369 nan 8.370 nan 0.000 0.473 152 V N 5.287 125.242 119.914 0.068 0.000 2.323 152 V HA -0.205 3.915 4.120 -0.000 0.000 0.244 152 V C 2.351 178.467 176.094 0.037 0.000 1.041 152 V CA 1.520 63.845 62.300 0.042 0.000 1.025 152 V CB -0.287 31.555 31.823 0.032 0.000 0.656 152 V HN 0.551 nan 8.190 nan 0.000 0.451 153 K N 0.175 120.600 120.400 0.041 0.000 2.076 153 K HA -0.099 4.221 4.320 -0.000 0.000 0.204 153 K C 2.049 178.671 176.600 0.037 0.000 1.051 153 K CA 1.376 57.683 56.287 0.034 0.000 0.949 153 K CB -0.224 32.295 32.500 0.032 0.000 0.726 153 K HN 0.412 nan 8.250 nan 0.000 0.443 154 N N -0.474 118.258 118.700 0.052 0.000 2.158 154 N HA -0.082 4.658 4.740 -0.000 0.000 0.190 154 N C 1.185 176.718 175.510 0.038 0.000 1.060 154 N CA 2.312 55.393 53.050 0.053 0.000 0.872 154 N CB 0.113 38.649 38.487 0.082 0.000 1.055 154 N HN 0.211 nan 8.380 nan 0.000 0.452 155 G N -0.636 108.191 108.800 0.045 0.000 2.672 155 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.197 155 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.197 155 G C -0.196 174.686 174.900 -0.029 0.000 0.995 155 G CA 0.130 45.236 45.100 0.011 0.000 0.754 155 G HN 0.597 nan 8.290 nan 0.000 0.505 156 E N 0.088 120.268 120.200 -0.033 0.000 2.404 156 E HA 0.461 4.811 4.350 -0.000 0.000 0.261 156 E C -0.101 176.263 176.600 -0.393 0.000 1.074 156 E CA -0.151 56.120 56.400 -0.215 0.000 0.917 156 E CB 0.528 30.087 29.700 -0.234 0.000 0.965 156 E HN 0.250 nan 8.360 nan 0.000 0.433 157 C N 3.385 122.314 119.300 -0.617 0.000 2.376 157 C HA 0.600 5.060 4.460 -0.000 0.000 0.335 157 C C -0.938 173.532 174.990 -0.867 0.000 1.229 157 C CA -0.560 58.129 59.018 -0.550 0.000 1.867 157 C CB -0.387 27.118 27.740 -0.391 0.000 2.319 157 C HN 0.548 nan 8.230 nan 0.000 0.515 158 F N 0.724 120.651 119.950 -0.039 0.000 2.588 158 F HA 0.519 5.046 4.527 -0.000 0.000 0.310 158 F C 0.181 175.961 175.800 -0.034 0.000 1.082 158 F CA -0.856 57.151 58.000 0.011 0.000 0.929 158 F CB 1.077 40.119 39.000 0.070 0.000 1.254 158 F HN 0.410 nan 8.300 nan 0.000 0.455 159 R N 1.450 122.011 120.500 0.102 0.000 2.316 159 R HA 0.496 4.836 4.340 -0.000 0.000 0.314 159 R C 0.835 177.081 176.300 -0.091 0.000 1.069 159 R CA 0.292 56.317 56.100 -0.126 0.000 0.959 159 R CB 0.999 31.031 30.300 -0.446 0.000 0.987 159 R HN 0.958 nan 8.270 nan 0.000 0.446 160 A N 4.300 127.137 122.820 0.028 0.000 1.841 160 A HA -0.261 4.059 4.320 -0.000 0.000 0.216 160 A C 1.491 179.185 177.584 0.183 0.000 1.199 160 A CA 1.890 54.019 52.037 0.153 0.000 0.621 160 A CB -0.569 18.480 19.000 0.082 0.000 0.835 160 A HN 0.961 nan 8.150 nan 0.000 0.445 161 D N 0.167 120.630 120.400 0.106 0.000 2.116 161 D HA -0.263 4.377 4.640 -0.000 0.000 0.193 161 D C 1.486 177.869 176.300 0.139 0.000 0.998 161 D CA 2.039 56.120 54.000 0.135 0.000 0.836 161 D CB -1.150 39.723 40.800 0.121 0.000 0.951 161 D HN 0.764 nan 8.370 nan 0.000 0.449 162 H N -0.471 118.672 119.070 0.122 0.000 2.535 162 H HA 0.195 4.751 4.556 -0.000 0.000 0.273 162 H C 2.058 177.435 175.328 0.082 0.000 0.983 162 H CA 0.243 56.344 56.048 0.088 0.000 1.238 162 H CB -0.576 29.233 29.762 0.077 0.000 1.412 162 H HN 0.207 nan 8.280 nan 0.000 0.562 163 L N 0.376 121.829 121.223 0.384 0.000 2.072 163 L HA -0.065 4.274 4.340 -0.000 0.000 0.205 163 L C 2.105 179.024 176.870 0.081 0.000 1.079 163 L CA 1.204 56.189 54.840 0.242 0.000 0.752 163 L CB -0.618 41.570 42.059 0.215 0.000 0.906 163 L HN 0.444 nan 8.230 nan 0.000 0.436 164 L N 0.861 122.115 121.223 0.051 0.000 1.989 164 L HA -0.283 4.057 4.340 -0.000 0.000 0.211 164 L C 2.529 179.366 176.870 -0.056 0.000 1.071 164 L CA 2.228 56.985 54.840 -0.138 0.000 0.749 164 L CB -0.911 41.093 42.059 -0.092 0.000 0.890 164 L HN 0.390 nan 8.230 nan 0.000 0.431 165 K N -0.278 120.137 120.400 0.025 0.000 2.127 165 K HA -0.233 4.087 4.320 -0.000 0.000 0.208 165 K C 1.992 178.600 176.600 0.012 0.000 1.047 165 K CA 1.797 58.099 56.287 0.025 0.000 0.927 165 K CB -0.121 32.428 32.500 0.081 0.000 0.716 165 K HN 0.510 nan 8.250 nan 0.000 0.450 166 A N 0.707 123.549 122.820 0.037 0.000 1.902 166 A HA -0.230 4.090 4.320 -0.000 0.000 0.217 166 A C 2.145 179.724 177.584 -0.009 0.000 1.181 166 A CA 1.677 53.723 52.037 0.015 0.000 0.623 166 A CB -0.907 18.111 19.000 0.030 0.000 0.818 166 A HN 0.513 nan 8.150 nan 0.000 0.443 167 H N -0.102 118.900 119.070 -0.113 0.000 2.321 167 H HA 0.026 4.582 4.556 -0.000 0.000 0.300 167 H C 1.239 176.483 175.328 -0.140 0.000 1.087 167 H CA 1.586 57.551 56.048 -0.138 0.000 1.319 167 H CB -0.102 29.538 29.762 -0.204 0.000 1.379 167 H HN 0.392 nan 8.280 nan 0.000 0.501 168 L N 1.126 122.309 121.223 -0.067 0.000 2.682 168 L HA -0.006 4.334 4.340 -0.000 0.000 0.240 168 L C 1.295 178.109 176.870 -0.094 0.000 1.178 168 L CA 0.299 55.057 54.840 -0.137 0.000 0.970 168 L CB 0.061 41.985 42.059 -0.225 0.000 1.179 168 L HN 0.285 nan 8.230 nan 0.000 0.435 169 Q N -1.308 118.442 119.800 -0.083 0.000 2.322 169 Q HA 0.063 4.403 4.340 -0.000 0.000 0.250 169 Q C 1.737 177.692 176.000 -0.075 0.000 0.853 169 Q CA -0.203 55.563 55.803 -0.062 0.000 0.951 169 Q CB 0.658 29.373 28.738 -0.038 0.000 1.114 169 Q HN 0.200 nan 8.270 nan 0.000 0.523 170 K N 0.962 121.292 120.400 -0.117 0.000 2.007 170 K HA -0.002 4.318 4.320 -0.000 0.000 0.206 170 K C 1.994 178.521 176.600 -0.122 0.000 1.047 170 K CA 0.948 57.156 56.287 -0.132 0.000 0.937 170 K CB -0.217 32.162 32.500 -0.201 0.000 0.718 170 K HN 0.202 nan 8.250 nan 0.000 0.438 171 L N 0.369 121.502 121.223 -0.150 0.000 2.046 171 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 171 L C 2.719 179.562 176.870 -0.045 0.000 1.077 171 L CA 0.875 55.662 54.840 -0.088 0.000 0.747 171 L CB -0.423 41.601 42.059 -0.057 0.000 0.896 171 L HN 0.108 nan 8.230 nan 0.000 0.432 172 M N -0.213 119.357 119.600 -0.050 0.000 2.080 172 M HA -0.132 4.348 4.480 -0.000 0.000 0.260 172 M C 1.085 177.370 176.300 -0.025 0.000 1.068 172 M CA 1.516 56.798 55.300 -0.029 0.000 1.109 172 M CB 0.010 32.590 32.600 -0.034 0.000 1.342 172 M HN -0.010 nan 8.290 nan 0.000 0.405 173 S N 0.922 116.602 115.700 -0.034 0.000 3.170 173 S HA 0.271 4.741 4.470 -0.000 0.000 0.257 173 S C -0.807 173.774 174.600 -0.032 0.000 1.284 173 S CA -0.580 57.603 58.200 -0.028 0.000 0.973 173 S CB -0.292 62.891 63.200 -0.029 0.000 1.330 173 S HN 0.351 nan 8.310 nan 0.000 0.493 174 D N 0.717 121.102 120.400 -0.024 0.000 2.966 174 D HA 0.230 4.870 4.640 -0.000 0.000 0.222 174 D C 0.531 176.822 176.300 -0.014 0.000 1.292 174 D CA -0.592 53.394 54.000 -0.023 0.000 0.907 174 D CB 1.118 41.901 40.800 -0.029 0.000 1.621 174 D HN 0.017 nan 8.370 nan 0.000 0.557 175 K N 1.519 121.911 120.400 -0.013 0.000 2.147 175 K HA -0.062 4.258 4.320 -0.000 0.000 0.205 175 K C 1.097 177.693 176.600 -0.007 0.000 1.049 175 K CA 0.860 57.142 56.287 -0.009 0.000 0.936 175 K CB 0.232 32.727 32.500 -0.009 0.000 0.722 175 K HN 0.345 nan 8.250 nan 0.000 0.446 176 K N 0.116 120.511 120.400 -0.009 0.000 2.555 176 K HA -0.040 4.280 4.320 -0.000 0.000 0.193 176 K C 0.853 177.450 176.600 -0.005 0.000 1.032 176 K CA 0.060 56.343 56.287 -0.008 0.000 1.004 176 K CB -0.064 32.430 32.500 -0.010 0.000 0.804 176 K HN 0.105 nan 8.250 nan 0.000 0.496 177 C N 2.053 121.350 119.300 -0.004 0.000 2.365 177 C HA 0.348 4.808 4.460 -0.000 0.000 0.351 177 C C 0.807 175.800 174.990 0.005 0.000 1.240 177 C CA -0.897 58.123 59.018 0.002 0.000 2.062 177 C CB 0.428 28.170 27.740 0.004 0.000 2.387 177 C HN 0.480 nan 8.230 nan 0.000 0.537 178 S N 4.133 119.838 115.700 0.008 0.000 2.592 178 S HA 0.293 4.763 4.470 -0.000 0.000 0.271 178 S C 0.912 175.519 174.600 0.012 0.000 1.326 178 S CA -0.472 57.733 58.200 0.008 0.000 1.024 178 S CB 1.181 64.386 63.200 0.008 0.000 0.921 178 S HN 0.791 nan 8.310 nan 0.000 0.527 179 V N 1.906 121.826 119.914 0.010 0.000 2.295 179 V HA -0.177 3.943 4.120 -0.000 0.000 0.246 179 V C 2.483 178.586 176.094 0.016 0.000 1.049 179 V CA 2.223 64.529 62.300 0.011 0.000 1.024 179 V CB -1.381 30.448 31.823 0.009 0.000 0.648 179 V HN 0.925 nan 8.190 nan 0.000 0.447 180 E N 0.154 120.363 120.200 0.016 0.000 2.204 180 E HA -0.225 4.125 4.350 -0.000 0.000 0.194 180 E C 2.107 178.724 176.600 0.028 0.000 0.989 180 E CA 1.034 57.446 56.400 0.019 0.000 0.824 180 E CB -0.164 29.545 29.700 0.015 0.000 0.756 180 E HN 0.442 nan 8.360 nan 0.000 0.477 181 K N 1.537 121.955 120.400 0.031 0.000 2.062 181 K HA -0.068 4.252 4.320 -0.000 0.000 0.205 181 K C 1.594 178.228 176.600 0.055 0.000 1.051 181 K CA 1.291 57.607 56.287 0.048 0.000 0.941 181 K CB 0.111 32.638 32.500 0.045 0.000 0.719 181 K HN -0.098 nan 8.250 nan 0.000 0.440 182 K N -0.035 120.387 120.400 0.036 0.000 2.009 182 K HA -0.138 4.182 4.320 -0.000 0.000 0.210 182 K C 2.225 178.842 176.600 0.029 0.000 1.049 182 K CA 1.667 57.969 56.287 0.027 0.000 0.929 182 K CB -0.498 32.011 32.500 0.015 0.000 0.714 182 K HN 0.165 nan 8.250 nan 0.000 0.440 183 S N 1.017 116.734 115.700 0.029 0.000 2.372 183 S HA -0.295 4.175 4.470 -0.000 0.000 0.227 183 S C 2.040 176.665 174.600 0.042 0.000 1.044 183 S CA 2.001 60.219 58.200 0.030 0.000 1.050 183 S CB -0.241 62.975 63.200 0.026 0.000 0.901 183 S HN 0.402 nan 8.310 nan 0.000 0.447 184 E N -0.247 119.987 120.200 0.056 0.000 2.051 184 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 184 E C 2.142 178.800 176.600 0.096 0.000 0.991 184 E CA 1.502 57.950 56.400 0.081 0.000 0.799 184 E CB -0.194 29.564 29.700 0.098 0.000 0.748 184 E HN 0.652 nan 8.360 nan 0.000 0.449 185 M N -0.035 119.612 119.600 0.079 0.000 2.288 185 M HA -0.056 4.424 4.480 -0.000 0.000 0.266 185 M C 2.159 178.462 176.300 0.004 0.000 1.072 185 M CA 0.913 56.223 55.300 0.017 0.000 1.132 185 M CB -0.032 32.548 32.600 -0.033 0.000 1.386 185 M HN 0.078 nan 8.290 nan 0.000 0.432 186 E N 0.628 120.839 120.200 0.018 0.000 2.058 186 E HA -0.204 4.146 4.350 -0.000 0.000 0.194 186 E C 2.077 178.694 176.600 0.028 0.000 0.997 186 E CA 1.985 58.395 56.400 0.017 0.000 0.801 186 E CB 0.062 29.773 29.700 0.019 0.000 0.746 186 E HN 0.516 nan 8.360 nan 0.000 0.450 187 S N -0.452 115.274 115.700 0.043 0.000 2.423 187 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 187 S C 2.062 176.714 174.600 0.087 0.000 1.014 187 S CA 0.986 59.218 58.200 0.053 0.000 0.965 187 S CB -0.254 62.981 63.200 0.059 0.000 0.785 187 S HN 0.085 nan 8.310 nan 0.000 0.495 188 V N 2.519 122.498 119.914 0.109 0.000 2.270 188 V HA -0.109 4.011 4.120 -0.000 0.000 0.245 188 V C 2.632 178.832 176.094 0.176 0.000 1.043 188 V CA 1.807 64.222 62.300 0.191 0.000 1.014 188 V CB -0.966 30.904 31.823 0.078 0.000 0.645 188 V HN 0.474 nan 8.190 nan 0.000 0.447 189 L N 0.261 121.526 121.223 0.071 0.000 2.081 189 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 189 L C 2.822 179.710 176.870 0.029 0.000 1.080 189 L CA 1.625 56.494 54.840 0.050 0.000 0.754 189 L CB -1.047 41.022 42.059 0.018 0.000 0.893 189 L HN 0.405 nan 8.230 nan 0.000 0.433 190 A N 0.826 123.657 122.820 0.018 0.000 1.884 190 A HA -0.252 4.068 4.320 -0.000 0.000 0.219 190 A C 1.777 179.324 177.584 -0.062 0.000 1.197 190 A CA 2.133 54.161 52.037 -0.014 0.000 0.637 190 A CB -0.601 18.396 19.000 -0.006 0.000 0.827 190 A HN 0.696 nan 8.150 nan 0.000 0.450 191 Q N -0.826 118.910 119.800 -0.106 0.000 2.404 191 Q HA 0.528 4.868 4.340 -0.000 0.000 0.368 191 Q C 0.682 176.387 176.000 -0.493 0.000 0.939 191 Q CA -0.376 55.261 55.803 -0.278 0.000 1.099 191 Q CB 0.247 28.788 28.738 -0.328 0.000 1.284 191 Q HN 0.311 nan 8.270 nan 0.000 0.421 192 L N 0.781 121.905 121.223 -0.165 0.000 2.056 192 L HA -0.077 4.263 4.340 -0.000 0.000 0.207 192 L C 1.348 178.212 176.870 -0.011 0.000 1.078 192 L CA 1.982 56.833 54.840 0.019 0.000 0.749 192 L CB -0.198 41.923 42.059 0.102 0.000 0.901 192 L HN 0.327 nan 8.230 nan 0.000 0.433 193 D N -0.721 119.645 120.400 -0.056 0.000 2.310 193 D HA -0.128 4.512 4.640 -0.000 0.000 0.212 193 D C 1.707 177.977 176.300 -0.049 0.000 0.965 193 D CA 0.826 54.813 54.000 -0.022 0.000 0.879 193 D CB -0.097 40.680 40.800 -0.039 0.000 0.921 193 D HN 0.590 nan 8.370 nan 0.000 0.510 194 N N -0.512 118.077 118.700 -0.185 0.000 2.148 194 N HA -0.082 4.658 4.740 -0.000 0.000 0.186 194 N C 0.081 175.545 175.510 -0.077 0.000 1.031 194 N CA 0.054 52.996 53.050 -0.179 0.000 0.848 194 N CB -0.077 38.233 38.487 -0.294 0.000 1.005 194 N HN 0.155 nan 8.380 nan 0.000 0.427 195 Y N 1.580 121.905 120.300 0.042 0.000 2.996 195 Y HA -0.083 4.467 4.550 -0.000 0.000 0.347 195 Y C 1.521 177.444 175.900 0.038 0.000 1.276 195 Y CA -0.597 57.517 58.100 0.023 0.000 1.601 195 Y CB -0.085 38.376 38.460 0.001 0.000 1.193 195 Y HN 0.061 nan 8.280 nan 0.000 0.582 196 G N 2.209 111.118 108.800 0.180 0.000 2.616 196 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.268 196 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.268 196 G C 0.653 175.509 174.900 -0.075 0.000 1.213 196 G CA -0.535 44.645 45.100 0.135 0.000 0.926 196 G HN 0.693 nan 8.290 nan 0.000 0.523 197 Q N -0.837 118.920 119.800 -0.072 0.000 2.065 197 Q HA -0.228 4.112 4.340 -0.000 0.000 0.213 197 Q C 2.353 178.179 176.000 -0.290 0.000 1.012 197 Q CA 2.189 57.775 55.803 -0.362 0.000 0.876 197 Q CB -0.342 28.421 28.738 0.041 0.000 0.954 197 Q HN 0.674 nan 8.270 nan 0.000 0.413 198 Q N 0.047 119.774 119.800 -0.122 0.000 2.046 198 Q HA -0.137 4.203 4.340 -0.000 0.000 0.200 198 Q C 2.025 177.964 176.000 -0.101 0.000 0.975 198 Q CA 1.492 57.239 55.803 -0.094 0.000 0.836 198 Q CB -0.080 28.633 28.738 -0.042 0.000 0.896 198 Q HN 0.530 nan 8.270 nan 0.000 0.428 199 E N 0.444 120.599 120.200 -0.075 0.000 2.058 199 E HA -0.176 4.174 4.350 -0.000 0.000 0.194 199 E C 2.008 178.512 176.600 -0.161 0.000 0.997 199 E CA 0.626 56.979 56.400 -0.078 0.000 0.801 199 E CB -0.116 29.603 29.700 0.030 0.000 0.746 199 E HN 0.170 nan 8.360 nan 0.000 0.450 200 L N 0.809 121.922 121.223 -0.182 0.000 2.083 200 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 200 L C 2.281 179.079 176.870 -0.119 0.000 1.083 200 L CA 1.838 56.566 54.840 -0.186 0.000 0.752 200 L CB -0.957 40.888 42.059 -0.357 0.000 0.899 200 L HN 0.088 nan 8.230 nan 0.000 0.433 201 A N -0.465 122.237 122.820 -0.196 0.000 1.933 201 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 201 A C 1.839 179.408 177.584 -0.025 0.000 1.175 201 A CA 1.724 53.675 52.037 -0.143 0.000 0.628 201 A CB -0.440 18.466 19.000 -0.157 0.000 0.814 201 A HN 0.472 nan 8.150 nan 0.000 0.444 202 D N 0.055 120.428 120.400 -0.046 0.000 2.123 202 D HA -0.076 4.564 4.640 -0.000 0.000 0.200 202 D C 1.880 178.176 176.300 -0.007 0.000 0.976 202 D CA 0.854 54.833 54.000 -0.034 0.000 0.831 202 D CB -0.412 40.352 40.800 -0.060 0.000 0.974 202 D HN 0.422 nan 8.370 nan 0.000 0.469 203 L N -0.258 120.957 121.223 -0.013 0.000 2.127 203 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 203 L C 2.237 179.176 176.870 0.115 0.000 1.089 203 L CA 0.763 55.627 54.840 0.041 0.000 0.757 203 L CB -0.267 41.742 42.059 -0.083 0.000 0.899 203 L HN -0.044 nan 8.230 nan 0.000 0.434 204 F N -1.027 118.878 119.950 -0.075 0.000 2.163 204 F HA -0.158 4.369 4.527 -0.000 0.000 0.297 204 F C 2.247 178.003 175.800 -0.073 0.000 1.094 204 F CA 1.156 59.107 58.000 -0.082 0.000 1.290 204 F CB -0.509 38.431 39.000 -0.100 0.000 1.017 204 F HN -0.219 nan 8.300 nan 0.000 0.483 205 V N -0.038 119.931 119.914 0.092 0.000 2.270 205 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 205 V C 2.140 178.203 176.094 -0.051 0.000 1.043 205 V CA 1.836 64.141 62.300 0.009 0.000 1.014 205 V CB -0.800 31.020 31.823 -0.005 0.000 0.645 205 V HN 0.276 nan 8.190 nan 0.000 0.447 206 N N -0.302 118.350 118.700 -0.081 0.000 2.137 206 N HA -0.179 4.561 4.740 -0.000 0.000 0.190 206 N C 1.421 176.722 175.510 -0.349 0.000 1.017 206 N CA 1.694 54.612 53.050 -0.220 0.000 0.859 206 N CB -0.350 37.967 38.487 -0.283 0.000 1.002 206 N HN 0.629 nan 8.380 nan 0.000 0.428 207 Y N 0.310 120.534 120.300 -0.127 0.000 2.524 207 Y HA 0.220 4.770 4.550 -0.000 0.000 0.266 207 Y C 0.387 176.176 175.900 -0.185 0.000 1.180 207 Y CA -0.702 57.323 58.100 -0.125 0.000 1.244 207 Y CB -0.221 38.153 38.460 -0.143 0.000 1.125 207 Y HN -0.062 nan 8.280 nan 0.000 0.524 208 N N 1.433 120.086 118.700 -0.078 0.000 2.666 208 N HA -0.183 4.557 4.740 -0.000 0.000 0.274 208 N C -0.875 174.485 175.510 -0.250 0.000 1.043 208 N CA 0.351 53.341 53.050 -0.101 0.000 0.782 208 N CB -0.725 37.742 38.487 -0.032 0.000 0.912 208 N HN 0.052 nan 8.380 nan 0.000 0.556 209 V N 1.567 121.229 119.914 -0.420 0.000 2.614 209 V HA 0.217 4.337 4.120 -0.000 0.000 0.291 209 V C 0.857 176.788 176.094 -0.273 0.000 1.049 209 V CA 0.191 62.086 62.300 -0.674 0.000 1.038 209 V CB 1.478 32.711 31.823 -0.983 0.000 0.980 209 V HN 0.317 nan 8.190 nan 0.000 0.481 210 K N 1.801 122.080 120.400 -0.201 0.000 2.395 210 K HA 0.527 4.847 4.320 -0.000 0.000 0.245 210 K C -0.248 176.285 176.600 -0.112 0.000 1.017 210 K CA -0.501 55.739 56.287 -0.079 0.000 0.852 210 K CB 1.756 34.242 32.500 -0.022 0.000 1.311 210 K HN 0.638 nan 8.250 nan 0.000 0.452 211 S N 1.936 117.565 115.700 -0.119 0.000 2.533 211 S HA 0.114 4.584 4.470 -0.000 0.000 0.282 211 S C -1.506 172.975 174.600 -0.198 0.000 1.304 211 S CA -0.976 57.070 58.200 -0.256 0.000 1.063 211 S CB 0.347 63.465 63.200 -0.138 0.000 0.881 211 S HN 0.392 nan 8.310 nan 0.000 0.493 212 P HA -0.013 nan 4.420 nan 0.000 0.220 212 P C 1.450 178.721 177.300 -0.049 0.000 1.152 212 P CA 0.881 63.905 63.100 -0.126 0.000 0.812 212 P CB 0.075 31.700 31.700 -0.125 0.000 0.792 213 I N 0.378 120.936 120.570 -0.019 0.000 2.130 213 I HA -0.162 4.008 4.170 -0.000 0.000 0.234 213 I C 2.594 178.737 176.117 0.042 0.000 1.067 213 I CA 2.423 63.761 61.300 0.062 0.000 1.339 213 I CB -1.159 36.938 38.000 0.162 0.000 1.073 213 I HN 0.080 nan 8.210 nan 0.000 0.405 214 T N -1.991 112.592 114.554 0.048 0.000 2.939 214 T HA 0.195 4.545 4.350 -0.000 0.000 0.254 214 T C 1.548 176.259 174.700 0.019 0.000 1.041 214 T CA 0.727 62.852 62.100 0.041 0.000 1.142 214 T CB 0.145 69.048 68.868 0.059 0.000 0.874 214 T HN 0.583 nan 8.240 nan 0.000 0.452 215 G N 1.723 110.524 108.800 0.002 0.000 2.131 215 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.201 215 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.201 215 G C -0.300 174.603 174.900 0.005 0.000 1.000 215 G CA -0.158 44.941 45.100 -0.003 0.000 0.680 215 G HN 0.745 nan 8.290 nan 0.000 0.514 216 N N 0.218 118.926 118.700 0.013 0.000 2.434 216 N HA 0.475 5.215 4.740 -0.000 0.000 0.266 216 N C -0.621 174.901 175.510 0.020 0.000 1.223 216 N CA -0.899 52.164 53.050 0.022 0.000 0.972 216 N CB 0.632 39.142 38.487 0.038 0.000 1.207 216 N HN 0.066 nan 8.380 nan 0.000 0.525 217 D N 0.507 120.921 120.400 0.023 0.000 2.443 217 D HA 0.134 4.774 4.640 -0.000 0.000 0.239 217 D C -0.762 175.563 176.300 0.043 0.000 1.136 217 D CA 0.168 54.184 54.000 0.026 0.000 0.879 217 D CB 0.484 41.298 40.800 0.022 0.000 1.195 217 D HN 0.108 nan 8.370 nan 0.000 0.443 218 L N 1.902 123.159 121.223 0.057 0.000 2.307 218 L HA 0.272 4.612 4.340 -0.000 0.000 0.284 218 L C 0.355 177.257 176.870 0.052 0.000 1.023 218 L CA -0.541 54.349 54.840 0.083 0.000 0.810 218 L CB 1.198 43.349 42.059 0.153 0.000 1.231 218 L HN 0.484 nan 8.230 nan 0.000 0.423 219 S N 4.516 120.234 115.700 0.030 0.000 2.580 219 S HA 0.423 4.893 4.470 -0.000 0.000 0.266 219 S C -2.461 172.095 174.600 -0.074 0.000 1.354 219 S CA -0.874 57.320 58.200 -0.009 0.000 1.008 219 S CB -0.163 63.034 63.200 -0.004 0.000 0.898 219 S HN 0.480 nan 8.310 nan 0.000 0.555 220 P HA 0.305 nan 4.420 nan 0.000 0.275 220 P C -2.549 174.637 177.300 -0.191 0.000 1.227 220 P CA -1.659 61.350 63.100 -0.152 0.000 0.781 220 P CB -0.418 31.225 31.700 -0.094 0.000 0.906 221 P HA -0.008 nan 4.420 nan 0.000 0.269 221 P C -0.170 177.092 177.300 -0.062 0.000 1.252 221 P CA 0.173 63.108 63.100 -0.274 0.000 0.780 221 P CB 0.118 31.512 31.700 -0.511 0.000 0.829 222 V N 1.245 121.187 119.914 0.047 0.000 2.997 222 V HA 0.539 4.659 4.120 -0.000 0.000 0.311 222 V C 0.419 176.671 176.094 0.263 0.000 1.066 222 V CA -0.822 61.559 62.300 0.136 0.000 1.039 222 V CB 1.431 33.304 31.823 0.083 0.000 1.081 222 V HN 0.486 nan 8.190 nan 0.000 0.467 223 S N 2.003 117.829 115.700 0.210 0.000 2.565 223 S HA 0.595 5.065 4.470 -0.000 0.000 0.274 223 S C -0.922 173.731 174.600 0.089 0.000 1.309 223 S CA -0.403 57.821 58.200 0.040 0.000 1.043 223 S CB 0.136 63.289 63.200 -0.077 0.000 0.939 223 S HN 0.938 nan 8.310 nan 0.000 0.504 224 F N 6.367 126.238 119.950 -0.132 0.000 2.577 224 F HA 0.393 4.920 4.527 -0.000 0.000 0.344 224 F C -0.195 175.521 175.800 -0.140 0.000 1.145 224 F CA -0.834 57.103 58.000 -0.106 0.000 0.996 224 F CB 0.823 39.770 39.000 -0.088 0.000 1.248 224 F HN 0.619 nan 8.300 nan 0.000 0.447 225 N N 5.891 124.238 118.700 -0.587 0.000 2.483 225 N HA 0.087 4.827 4.740 -0.000 0.000 0.264 225 N C 0.663 175.765 175.510 -0.680 0.000 1.197 225 N CA 0.065 52.822 53.050 -0.488 0.000 0.927 225 N CB 0.957 39.251 38.487 -0.321 0.000 1.065 225 N HN 0.885 nan 8.380 nan 0.000 0.461 226 L N 3.009 124.018 121.223 -0.356 0.000 2.591 226 L HA 0.152 4.492 4.340 -0.000 0.000 0.228 226 L C 0.818 177.632 176.870 -0.093 0.000 1.133 226 L CA 0.219 54.913 54.840 -0.243 0.000 0.880 226 L CB -0.020 41.913 42.059 -0.211 0.000 1.033 226 L HN 0.494 nan 8.230 nan 0.000 0.450 227 M N -0.182 119.365 119.600 -0.088 0.000 2.211 227 M HA 0.204 4.684 4.480 -0.000 0.000 0.356 227 M C -0.593 175.656 176.300 -0.085 0.000 1.216 227 M CA -0.308 54.947 55.300 -0.074 0.000 1.134 227 M CB 0.888 33.293 32.600 -0.325 0.000 1.564 227 M HN -0.163 nan 8.290 nan 0.000 0.463 228 F N 2.634 122.626 119.950 0.071 0.000 2.504 228 F HA 0.200 4.727 4.527 -0.000 0.000 0.369 228 F C 0.670 176.533 175.800 0.105 0.000 1.082 228 F CA 0.136 58.170 58.000 0.056 0.000 1.216 228 F CB 0.290 39.280 39.000 -0.017 0.000 1.108 228 F HN 0.416 nan 8.300 nan 0.000 0.554 229 K N 2.683 123.205 120.400 0.204 0.000 2.185 229 K HA 0.543 4.863 4.320 -0.000 0.000 0.269 229 K C -0.338 176.193 176.600 -0.115 0.000 0.987 229 K CA -0.423 55.862 56.287 -0.003 0.000 0.865 229 K CB 0.979 33.450 32.500 -0.049 0.000 1.090 229 K HN 0.807 nan 8.250 nan 0.000 0.450 230 T N -0.611 113.768 114.554 -0.292 0.000 2.693 230 T HA 0.553 4.903 4.350 -0.000 0.000 0.278 230 T C -0.802 173.591 174.700 -0.512 0.000 0.994 230 T CA -0.795 61.173 62.100 -0.219 0.000 1.033 230 T CB 0.521 69.334 68.868 -0.092 0.000 1.342 230 T HN 0.243 nan 8.240 nan 0.000 0.538 231 F N 0.062 119.948 119.950 -0.107 0.000 2.507 231 F HA 0.622 5.149 4.527 -0.000 0.000 0.325 231 F C -0.069 175.679 175.800 -0.086 0.000 1.116 231 F CA -1.317 56.622 58.000 -0.102 0.000 0.930 231 F CB 1.276 40.231 39.000 -0.076 0.000 1.146 231 F HN 0.403 nan 8.300 nan 0.000 0.447 232 I N 3.039 123.639 120.570 0.049 0.000 2.371 232 I HA 0.553 4.723 4.170 -0.000 0.000 0.290 232 I C 0.777 176.920 176.117 0.043 0.000 1.028 232 I CA 0.299 61.610 61.300 0.018 0.000 1.345 232 I CB 0.380 38.368 38.000 -0.021 0.000 1.407 232 I HN 0.849 nan 8.210 nan 0.000 0.501 233 G N 7.164 115.980 108.800 0.027 0.000 2.681 233 G HA2 -0.139 3.820 3.960 -0.000 0.000 0.220 233 G HA3 -0.139 3.820 3.960 -0.000 0.000 0.220 233 G C -2.827 172.083 174.900 0.017 0.000 1.353 233 G CA -0.882 44.228 45.100 0.018 0.000 0.872 233 G HN 0.551 nan 8.290 nan 0.000 0.557 234 P HA 0.639 nan 4.420 nan 0.000 0.285 234 P C 0.948 178.224 177.300 -0.040 0.000 1.269 234 P CA 1.316 64.403 63.100 -0.023 0.000 0.844 234 P CB 1.091 32.778 31.700 -0.022 0.000 1.094 235 G N 0.770 109.521 108.800 -0.082 0.000 2.527 235 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.268 235 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.268 235 G C 0.237 175.012 174.900 -0.209 0.000 1.175 235 G CA -0.043 44.984 45.100 -0.120 0.000 0.962 235 G HN 0.974 nan 8.290 nan 0.000 0.560 236 G N -0.257 108.447 108.800 -0.160 0.000 4.885 236 G HA2 0.526 4.486 3.960 -0.000 0.000 0.263 236 G HA3 0.526 4.486 3.960 -0.000 0.000 0.263 236 G C 0.617 175.576 174.900 0.099 0.000 1.168 236 G CA 0.942 45.955 45.100 -0.146 0.000 0.906 236 G HN 0.545 nan 8.290 nan 0.000 0.575 237 N N 0.380 119.131 118.700 0.085 0.000 2.197 237 N HA 0.031 4.771 4.740 -0.000 0.000 0.184 237 N C 0.925 176.488 175.510 0.088 0.000 1.030 237 N CA 0.439 53.531 53.050 0.069 0.000 0.851 237 N CB 0.237 38.745 38.487 0.034 0.000 1.003 237 N HN 0.367 nan 8.380 nan 0.000 0.430 238 M N 3.234 122.894 119.600 0.099 0.000 2.268 238 M HA 0.321 4.801 4.480 -0.000 0.000 0.340 238 M C -2.737 173.572 176.300 0.016 0.000 1.099 238 M CA -1.895 53.431 55.300 0.044 0.000 1.053 238 M CB 1.460 34.071 32.600 0.018 0.000 1.284 238 M HN -0.183 nan 8.290 nan 0.000 0.410 239 P HA 0.482 nan 4.420 nan 0.000 0.278 239 P C -0.536 176.487 177.300 -0.462 0.000 1.238 239 P CA 0.075 62.894 63.100 -0.468 0.000 0.794 239 P CB 1.560 32.925 31.700 -0.559 0.000 0.955 240 G N 0.653 109.077 108.800 -0.626 0.000 2.788 240 G HA2 0.665 4.625 3.960 -0.000 0.000 0.293 240 G HA3 0.665 4.625 3.960 -0.000 0.000 0.293 240 G C -2.133 172.305 174.900 -0.770 0.000 1.392 240 G CA -0.564 44.204 45.100 -0.554 0.000 0.810 240 G HN 0.378 nan 8.290 nan 0.000 0.508 241 Y N -1.350 118.872 120.300 -0.129 0.000 2.609 241 Y HA 0.577 5.127 4.550 -0.000 0.000 0.342 241 Y C 0.177 176.001 175.900 -0.128 0.000 1.058 241 Y CA -1.009 57.024 58.100 -0.113 0.000 1.055 241 Y CB 1.819 40.225 38.460 -0.090 0.000 1.292 241 Y HN 0.331 nan 8.280 nan 0.000 0.476 242 L N 2.920 124.167 121.223 0.040 0.000 2.331 242 L HA 0.443 4.783 4.340 -0.000 0.000 0.278 242 L C 0.435 177.317 176.870 0.020 0.000 1.106 242 L CA -0.807 53.953 54.840 -0.133 0.000 0.824 242 L CB 0.554 42.278 42.059 -0.557 0.000 1.142 242 L HN 0.640 nan 8.230 nan 0.000 0.443 243 R N 3.903 124.415 120.500 0.020 0.000 2.538 243 R HA 0.076 4.416 4.340 -0.000 0.000 0.282 243 R C -2.045 174.244 176.300 -0.019 0.000 1.009 243 R CA -0.990 55.095 56.100 -0.024 0.000 1.063 243 R CB 0.200 30.485 30.300 -0.026 0.000 0.945 243 R HN 0.382 nan 8.270 nan 0.000 0.414 244 P HA -0.097 nan 4.420 nan 0.000 0.231 244 P C -0.597 176.628 177.300 -0.125 0.000 1.168 244 P CA 1.019 63.988 63.100 -0.218 0.000 0.779 244 P CB 0.265 31.524 31.700 -0.735 0.000 0.844 245 E N -1.918 118.186 120.200 -0.160 0.000 2.430 245 E HA 0.282 4.632 4.350 -0.000 0.000 0.279 245 E C -0.138 176.413 176.600 -0.081 0.000 1.003 245 E CA -0.663 55.696 56.400 -0.068 0.000 0.801 245 E CB 0.476 30.148 29.700 -0.045 0.000 1.313 245 E HN -0.232 nan 8.360 nan 0.000 0.459 246 T N -2.100 112.414 114.554 -0.066 0.000 3.081 246 T HA 0.213 4.563 4.350 -0.000 0.000 0.250 246 T C 1.705 176.328 174.700 -0.128 0.000 1.100 246 T CA 0.638 62.690 62.100 -0.080 0.000 1.038 246 T CB 0.021 68.848 68.868 -0.067 0.000 0.962 246 T HN 0.516 nan 8.240 nan 0.000 0.516 247 A N 1.935 124.655 122.820 -0.167 0.000 1.940 247 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 247 A C 2.512 179.774 177.584 -0.536 0.000 1.176 247 A CA 1.337 53.154 52.037 -0.365 0.000 0.631 247 A CB -0.600 18.222 19.000 -0.297 0.000 0.814 247 A HN 0.481 nan 8.150 nan 0.000 0.446 248 Q N -0.658 119.026 119.800 -0.193 0.000 2.167 248 Q HA -0.094 4.246 4.340 -0.000 0.000 0.202 248 Q C 2.219 178.213 176.000 -0.009 0.000 0.970 248 Q CA 1.349 57.165 55.803 0.021 0.000 0.855 248 Q CB -0.884 27.932 28.738 0.130 0.000 0.911 248 Q HN 0.666 nan 8.270 nan 0.000 0.438 249 G N 1.295 110.062 108.800 -0.054 0.000 2.440 249 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.218 249 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.218 249 G C 1.579 176.487 174.900 0.013 0.000 1.154 249 G CA 0.557 45.643 45.100 -0.023 0.000 0.767 249 G HN 0.289 nan 8.290 nan 0.000 0.552 250 I N -0.080 120.475 120.570 -0.026 0.000 2.226 250 I HA -0.135 4.035 4.170 -0.000 0.000 0.245 250 I C 2.468 178.757 176.117 0.285 0.000 1.100 250 I CA 0.817 62.172 61.300 0.091 0.000 1.374 250 I CB -0.256 37.774 38.000 0.049 0.000 1.057 250 I HN 0.040 nan 8.210 nan 0.000 0.413 251 F N 0.826 120.942 119.950 0.277 0.000 2.102 251 F HA -0.180 4.346 4.527 -0.000 0.000 0.298 251 F C 2.350 178.252 175.800 0.170 0.000 1.105 251 F CA 1.205 59.384 58.000 0.298 0.000 1.239 251 F CB -1.253 37.927 39.000 0.300 0.000 0.991 251 F HN -0.031 nan 8.300 nan 0.000 0.474 252 L N -0.182 121.169 121.223 0.214 0.000 2.191 252 L HA -0.206 4.134 4.340 -0.000 0.000 0.212 252 L C 1.292 178.225 176.870 0.105 0.000 1.103 252 L CA 1.091 55.968 54.840 0.062 0.000 0.769 252 L CB -0.491 41.548 42.059 -0.033 0.000 0.908 252 L HN 0.162 nan 8.230 nan 0.000 0.438 253 N N -0.952 117.832 118.700 0.140 0.000 2.295 253 N HA -0.012 4.728 4.740 -0.000 0.000 0.221 253 N C 1.260 176.845 175.510 0.126 0.000 1.129 253 N CA 0.027 53.137 53.050 0.099 0.000 0.836 253 N CB 0.307 38.825 38.487 0.052 0.000 1.040 253 N HN 0.207 nan 8.380 nan 0.000 0.494 254 F N 2.288 122.287 119.950 0.081 0.000 2.095 254 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 254 F C 2.131 177.921 175.800 -0.017 0.000 1.104 254 F CA 1.599 59.623 58.000 0.040 0.000 1.232 254 F CB 0.203 39.221 39.000 0.030 0.000 0.987 254 F HN -0.109 nan 8.300 nan 0.000 0.475 255 K N -0.004 120.418 120.400 0.036 0.000 2.002 255 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 255 K C 2.257 178.755 176.600 -0.169 0.000 1.048 255 K CA 1.763 58.008 56.287 -0.071 0.000 0.930 255 K CB -0.241 32.285 32.500 0.045 0.000 0.714 255 K HN 0.264 nan 8.250 nan 0.000 0.438 256 R N 0.730 121.171 120.500 -0.098 0.000 2.096 256 R HA -0.142 4.198 4.340 -0.000 0.000 0.240 256 R C 2.454 178.667 176.300 -0.146 0.000 1.139 256 R CA 1.363 57.411 56.100 -0.086 0.000 0.952 256 R CB -0.569 29.703 30.300 -0.048 0.000 0.854 256 R HN 0.199 nan 8.270 nan 0.000 0.436 257 L N 0.725 121.803 121.223 -0.241 0.000 2.017 257 L HA -0.175 4.164 4.340 -0.000 0.000 0.208 257 L C 2.607 179.058 176.870 -0.699 0.000 1.073 257 L CA 0.797 55.413 54.840 -0.373 0.000 0.745 257 L CB -0.523 41.361 42.059 -0.292 0.000 0.894 257 L HN 0.276 nan 8.230 nan 0.000 0.432 258 L N 0.481 121.164 121.223 -0.899 0.000 2.046 258 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 258 L C 2.390 178.973 176.870 -0.478 0.000 1.077 258 L CA 2.139 56.420 54.840 -0.932 0.000 0.747 258 L CB -0.629 40.935 42.059 -0.825 0.000 0.896 258 L HN 0.451 nan 8.230 nan 0.000 0.432 259 E N -0.627 119.390 120.200 -0.304 0.000 2.051 259 E HA -0.324 4.026 4.350 -0.000 0.000 0.192 259 E C 2.232 178.746 176.600 -0.142 0.000 0.991 259 E CA 1.550 57.847 56.400 -0.171 0.000 0.799 259 E CB -0.510 29.127 29.700 -0.105 0.000 0.748 259 E HN 0.452 nan 8.360 nan 0.000 0.449 260 F N 2.064 121.860 119.950 -0.257 0.000 2.192 260 F HA -0.188 4.339 4.527 -0.000 0.000 0.301 260 F C 1.798 177.471 175.800 -0.212 0.000 1.079 260 F CA 1.584 59.462 58.000 -0.204 0.000 1.303 260 F CB -0.134 38.749 39.000 -0.193 0.000 1.024 260 F HN 0.053 nan 8.300 nan 0.000 0.494 261 N N 0.619 119.228 118.700 -0.152 0.000 2.375 261 N HA -0.079 4.661 4.740 -0.000 0.000 0.220 261 N C 0.195 175.601 175.510 -0.173 0.000 1.170 261 N CA 0.279 53.220 53.050 -0.182 0.000 0.833 261 N CB -0.061 38.247 38.487 -0.298 0.000 1.069 261 N HN 0.306 nan 8.380 nan 0.000 0.479 262 Q N -1.117 118.567 119.800 -0.193 0.000 2.494 262 Q HA -0.200 4.140 4.340 -0.000 0.000 0.266 262 Q C 0.718 176.653 176.000 -0.109 0.000 1.053 262 Q CA 1.062 56.777 55.803 -0.146 0.000 1.029 262 Q CB -1.708 26.957 28.738 -0.123 0.000 1.423 262 Q HN 0.665 nan 8.270 nan 0.000 0.516 263 G N -1.638 107.085 108.800 -0.128 0.000 2.220 263 G HA2 -0.412 3.548 3.960 -0.000 0.000 0.269 263 G HA3 -0.412 3.548 3.960 -0.000 0.000 0.269 263 G C 0.331 175.207 174.900 -0.040 0.000 0.977 263 G CA 0.758 45.803 45.100 -0.091 0.000 0.634 263 G HN 0.423 nan 8.290 nan 0.000 0.539 264 K N -0.788 119.595 120.400 -0.027 0.000 2.155 264 K HA 0.765 5.085 4.320 -0.000 0.000 0.237 264 K C -0.498 176.179 176.600 0.128 0.000 1.040 264 K CA -0.561 55.748 56.287 0.036 0.000 0.912 264 K CB 0.923 33.437 32.500 0.022 0.000 1.137 264 K HN 0.146 nan 8.250 nan 0.000 0.498 265 L N 1.242 122.553 121.223 0.146 0.000 2.505 265 L HA 0.408 4.748 4.340 -0.000 0.000 0.259 265 L C -2.491 174.451 176.870 0.120 0.000 0.952 265 L CA -1.614 53.347 54.840 0.202 0.000 0.840 265 L CB 1.701 43.879 42.059 0.199 0.000 1.358 265 L HN 0.586 nan 8.230 nan 0.000 0.409 266 P HA 0.599 nan 4.420 nan 0.000 0.276 266 P C -1.487 175.908 177.300 0.158 0.000 1.261 266 P CA -0.162 62.971 63.100 0.055 0.000 0.800 266 P CB 0.976 32.649 31.700 -0.045 0.000 1.066 267 F N -2.881 117.061 119.950 -0.013 0.000 2.693 267 F HA 0.744 5.271 4.527 -0.000 0.000 0.309 267 F C -2.078 173.765 175.800 0.070 0.000 1.129 267 F CA -1.362 56.660 58.000 0.036 0.000 0.948 267 F CB 0.973 40.014 39.000 0.068 0.000 1.315 267 F HN 0.516 nan 8.300 nan 0.000 0.447 268 A N 1.783 124.756 122.820 0.255 0.000 2.356 268 A HA 0.956 5.276 4.320 -0.000 0.000 0.310 268 A C -1.107 176.700 177.584 0.372 0.000 1.075 268 A CA -0.333 51.821 52.037 0.194 0.000 0.746 268 A CB 1.051 20.195 19.000 0.240 0.000 1.221 268 A HN 1.793 nan 8.150 nan 0.000 0.443 269 A N 1.028 124.066 122.820 0.363 0.000 2.320 269 A HA 0.955 5.275 4.320 -0.000 0.000 0.334 269 A C 0.099 177.801 177.584 0.197 0.000 1.147 269 A CA 0.038 52.263 52.037 0.314 0.000 0.820 269 A CB 1.244 20.487 19.000 0.406 0.000 1.218 269 A HN 2.399 nan 8.150 nan 0.000 0.482 270 A N 0.567 123.490 122.820 0.173 0.000 2.527 270 A HA 0.818 5.138 4.320 -0.000 0.000 0.293 270 A C -0.867 176.785 177.584 0.113 0.000 1.117 270 A CA -0.516 51.628 52.037 0.178 0.000 0.723 270 A CB 1.583 20.760 19.000 0.294 0.000 1.313 270 A HN 0.811 nan 8.150 nan 0.000 0.411 271 Q N 0.184 120.028 119.800 0.074 0.000 2.309 271 Q HA 0.523 4.863 4.340 -0.000 0.000 0.273 271 Q C -1.848 174.105 176.000 -0.079 0.000 1.040 271 Q CA -0.321 55.483 55.803 0.002 0.000 0.834 271 Q CB 2.449 31.174 28.738 -0.023 0.000 1.345 271 Q HN 0.681 nan 8.270 nan 0.000 0.414 272 I N 1.889 122.402 120.570 -0.095 0.000 2.411 272 I HA 0.747 4.917 4.170 -0.000 0.000 0.284 272 I C 0.191 176.233 176.117 -0.124 0.000 1.012 272 I CA -0.449 60.744 61.300 -0.179 0.000 1.119 272 I CB 1.744 39.627 38.000 -0.195 0.000 1.261 272 I HN 0.708 nan 8.210 nan 0.000 0.448 273 G N 4.763 113.483 108.800 -0.132 0.000 2.488 273 G HA2 0.284 4.244 3.960 -0.000 0.000 0.301 273 G HA3 0.284 4.244 3.960 -0.000 0.000 0.301 273 G C -1.773 173.042 174.900 -0.143 0.000 1.339 273 G CA -0.707 44.326 45.100 -0.111 0.000 0.803 273 G HN 0.373 nan 8.290 nan 0.000 0.482 274 N N 0.125 118.724 118.700 -0.168 0.000 2.473 274 N HA 0.708 5.448 4.740 -0.000 0.000 0.291 274 N C -0.377 174.904 175.510 -0.381 0.000 1.083 274 N CA -0.161 52.683 53.050 -0.343 0.000 0.951 274 N CB 1.766 39.992 38.487 -0.435 0.000 1.164 274 N HN 0.465 nan 8.380 nan 0.000 0.480 275 S N 0.641 115.929 115.700 -0.688 0.000 2.677 275 S HA 0.721 5.191 4.470 -0.000 0.000 0.304 275 S C -0.991 172.914 174.600 -1.158 0.000 1.108 275 S CA -0.602 57.268 58.200 -0.550 0.000 0.944 275 S CB 1.051 64.086 63.200 -0.275 0.000 1.127 275 S HN 0.345 nan 8.310 nan 0.000 0.511 276 F N 0.710 120.412 119.950 -0.414 0.000 2.576 276 F HA 0.673 5.200 4.527 -0.000 0.000 0.313 276 F C 0.197 176.156 175.800 0.264 0.000 1.078 276 F CA -0.768 57.146 58.000 -0.144 0.000 0.921 276 F CB 1.729 40.701 39.000 -0.046 0.000 1.232 276 F HN 0.337 nan 8.300 nan 0.000 0.459 277 R N 1.903 122.829 120.500 0.710 0.000 2.695 277 R HA 0.221 4.561 4.340 -0.000 0.000 0.288 277 R C -1.234 175.320 176.300 0.423 0.000 1.344 277 R CA -0.524 55.935 56.100 0.597 0.000 1.005 277 R CB 0.752 31.464 30.300 0.686 0.000 1.233 277 R HN 0.646 nan 8.270 nan 0.000 0.442 278 N N 2.589 121.267 118.700 -0.036 0.000 2.892 278 N HA -0.031 4.709 4.740 -0.000 0.000 0.300 278 N C -0.666 174.853 175.510 0.014 0.000 1.211 278 N CA 0.108 52.923 53.050 -0.391 0.000 1.158 278 N CB 0.297 38.121 38.487 -1.105 0.000 1.455 278 N HN 0.452 nan 8.380 nan 0.000 0.524 279 E N 1.234 121.517 120.200 0.140 0.000 2.414 279 E HA 0.032 4.382 4.350 -0.000 0.000 0.263 279 E C 1.276 177.938 176.600 0.104 0.000 1.000 279 E CA 0.068 56.544 56.400 0.127 0.000 0.914 279 E CB 0.504 30.287 29.700 0.137 0.000 0.948 279 E HN 0.434 nan 8.360 nan 0.000 0.444 280 I N 1.394 122.003 120.570 0.065 0.000 2.142 280 I HA -0.200 3.970 4.170 -0.000 0.000 0.240 280 I C 0.913 177.004 176.117 -0.044 0.000 1.078 280 I CA 1.083 62.351 61.300 -0.052 0.000 1.343 280 I CB 0.045 37.975 38.000 -0.117 0.000 1.046 280 I HN 0.281 nan 8.210 nan 0.000 0.405 281 S N 0.908 116.621 115.700 0.022 0.000 2.413 281 S HA 0.284 4.754 4.470 -0.000 0.000 0.170 281 S C -2.542 172.110 174.600 0.088 0.000 1.294 281 S CA -1.109 57.113 58.200 0.037 0.000 1.201 281 S CB 0.556 63.764 63.200 0.013 0.000 1.328 281 S HN -0.045 nan 8.310 nan 0.000 0.418 282 P HA 0.409 nan 4.420 nan 0.000 0.276 282 P C -0.426 176.923 177.300 0.082 0.000 1.243 282 P CA -0.399 62.755 63.100 0.089 0.000 0.768 282 P CB 0.704 32.467 31.700 0.105 0.000 0.856 283 R N -0.333 120.209 120.500 0.070 0.000 2.548 283 R HA 0.269 4.609 4.340 -0.000 0.000 0.449 283 R C -0.228 176.114 176.300 0.069 0.000 0.928 283 R CA -0.408 55.738 56.100 0.076 0.000 1.107 283 R CB -1.368 28.975 30.300 0.071 0.000 1.557 283 R HN 0.099 nan 8.270 nan 0.000 0.584 284 S N 0.684 116.389 115.700 0.008 0.000 2.525 284 S HA 0.526 4.996 4.470 -0.000 0.000 0.242 284 S C 0.873 175.307 174.600 -0.276 0.000 1.164 284 S CA -0.296 57.833 58.200 -0.118 0.000 1.154 284 S CB 0.681 63.725 63.200 -0.261 0.000 0.875 284 S HN 0.787 nan 8.310 nan 0.000 0.482 285 G N 2.228 111.009 108.800 -0.031 0.000 2.594 285 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.297 285 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.297 285 G C 0.618 175.384 174.900 -0.223 0.000 1.273 285 G CA 0.454 45.524 45.100 -0.051 0.000 0.974 285 G HN 0.529 nan 8.290 nan 0.000 0.552 286 L N 0.146 121.071 121.223 -0.495 0.000 2.551 286 L HA 0.130 4.470 4.340 -0.000 0.000 0.228 286 L C 2.619 179.243 176.870 -0.411 0.000 1.153 286 L CA 0.811 55.318 54.840 -0.554 0.000 0.851 286 L CB -0.209 41.422 42.059 -0.714 0.000 0.959 286 L HN 0.519 nan 8.230 nan 0.000 0.451 287 I N -0.304 119.947 120.570 -0.533 0.000 2.286 287 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 287 I C 1.099 177.047 176.117 -0.281 0.000 1.104 287 I CA 1.129 62.151 61.300 -0.463 0.000 1.397 287 I CB -0.284 37.310 38.000 -0.677 0.000 1.072 287 I HN 0.065 nan 8.210 nan 0.000 0.417 288 R N 0.624 121.000 120.500 -0.208 0.000 2.287 288 R HA 0.484 4.824 4.340 -0.000 0.000 0.316 288 R C -0.899 175.419 176.300 0.031 0.000 1.050 288 R CA -0.314 55.735 56.100 -0.085 0.000 0.983 288 R CB 1.192 31.462 30.300 -0.050 0.000 1.140 288 R HN 0.057 nan 8.270 nan 0.000 0.528 289 V N -0.766 119.189 119.914 0.069 0.000 3.019 289 V HA 0.484 4.604 4.120 -0.000 0.000 0.317 289 V C 0.933 177.231 176.094 0.340 0.000 1.094 289 V CA -1.105 61.328 62.300 0.220 0.000 1.000 289 V CB 2.510 34.495 31.823 0.270 0.000 1.060 289 V HN 0.585 nan 8.190 nan 0.000 0.443 290 R N 0.128 120.843 120.500 0.359 0.000 2.189 290 R HA 0.302 4.642 4.340 -0.000 0.000 0.203 290 R C 0.430 176.950 176.300 0.367 0.000 1.012 290 R CA 0.554 56.919 56.100 0.441 0.000 1.015 290 R CB 0.582 31.138 30.300 0.426 0.000 0.938 290 R HN 0.918 nan 8.270 nan 0.000 0.472 291 E N 0.194 120.505 120.200 0.184 0.000 2.293 291 E HA 0.404 4.754 4.350 -0.000 0.000 0.270 291 E C -1.539 174.996 176.600 -0.109 0.000 0.879 291 E CA -0.689 55.528 56.400 -0.304 0.000 0.756 291 E CB 1.440 30.980 29.700 -0.266 0.000 1.208 291 E HN -0.071 nan 8.360 nan 0.000 0.428 292 F N -0.938 118.850 119.950 -0.271 0.000 2.725 292 F HA 0.407 4.934 4.527 -0.000 0.000 0.309 292 F C -1.186 174.498 175.800 -0.193 0.000 1.132 292 F CA -1.057 56.856 58.000 -0.145 0.000 0.957 292 F CB 1.199 40.154 39.000 -0.075 0.000 1.286 292 F HN 0.094 nan 8.300 nan 0.000 0.440 293 T N 4.212 118.799 114.554 0.056 0.000 2.799 293 T HA 0.609 4.959 4.350 -0.000 0.000 0.286 293 T C -0.211 174.493 174.700 0.007 0.000 0.973 293 T CA -0.559 61.510 62.100 -0.052 0.000 1.035 293 T CB 0.961 69.753 68.868 -0.127 0.000 0.932 293 T HN 0.458 nan 8.240 nan 0.000 0.469 294 M N 2.316 121.894 119.600 -0.036 0.000 2.578 294 M HA 0.686 5.166 4.480 -0.000 0.000 0.321 294 M C -0.298 175.869 176.300 -0.221 0.000 1.182 294 M CA -1.082 54.184 55.300 -0.056 0.000 0.965 294 M CB 1.769 34.382 32.600 0.021 0.000 1.694 294 M HN 0.644 nan 8.290 nan 0.000 0.461 295 A N 2.158 124.777 122.820 -0.336 0.000 2.311 295 A HA 0.668 4.988 4.320 -0.000 0.000 0.306 295 A C -0.676 176.774 177.584 -0.225 0.000 1.189 295 A CA -0.582 51.059 52.037 -0.660 0.000 0.791 295 A CB 0.805 18.721 19.000 -1.808 0.000 1.172 295 A HN 0.833 nan 8.150 nan 0.000 0.481 296 E N 2.129 122.281 120.200 -0.080 0.000 2.222 296 E HA 0.563 4.913 4.350 -0.000 0.000 0.267 296 E C -1.159 175.513 176.600 0.121 0.000 0.884 296 E CA -0.490 55.947 56.400 0.061 0.000 0.764 296 E CB 2.390 32.079 29.700 -0.020 0.000 1.169 296 E HN 0.640 nan 8.360 nan 0.000 0.413 297 I N 1.989 122.627 120.570 0.114 0.000 2.493 297 I HA 0.265 4.435 4.170 -0.000 0.000 0.298 297 I C -0.256 175.791 176.117 -0.116 0.000 0.998 297 I CA -0.769 60.556 61.300 0.042 0.000 1.137 297 I CB 1.628 39.629 38.000 0.002 0.000 1.310 297 I HN 0.286 nan 8.210 nan 0.000 0.445 298 E N 4.860 124.974 120.200 -0.144 0.000 2.267 298 E HA 0.202 4.552 4.350 -0.000 0.000 0.248 298 E C -0.984 175.316 176.600 -0.500 0.000 0.899 298 E CA -0.411 55.762 56.400 -0.379 0.000 0.764 298 E CB 1.442 30.910 29.700 -0.387 0.000 1.227 298 E HN 0.425 nan 8.360 nan 0.000 0.421 299 H N 4.622 123.355 119.070 -0.562 0.000 2.741 299 H HA 0.228 4.784 4.556 -0.000 0.000 0.282 299 H C -0.958 174.116 175.328 -0.424 0.000 1.122 299 H CA -0.511 55.317 56.048 -0.366 0.000 1.293 299 H CB -0.146 29.475 29.762 -0.235 0.000 1.415 299 H HN 0.260 nan 8.280 nan 0.000 0.472 300 F N 4.602 124.290 119.950 -0.438 0.000 2.424 300 F HA 0.234 4.760 4.527 -0.000 0.000 0.356 300 F C 0.405 176.045 175.800 -0.267 0.000 1.110 300 F CA -0.401 57.411 58.000 -0.314 0.000 1.161 300 F CB 1.097 39.810 39.000 -0.477 0.000 1.115 300 F HN 0.171 nan 8.300 nan 0.000 0.507 301 V N 3.752 123.736 119.914 0.117 0.000 2.789 301 V HA 0.346 4.466 4.120 -0.000 0.000 0.311 301 V C -0.820 175.357 176.094 0.139 0.000 1.073 301 V CA -0.776 61.603 62.300 0.133 0.000 0.921 301 V CB 1.935 33.894 31.823 0.226 0.000 1.009 301 V HN 0.703 nan 8.190 nan 0.000 0.426 302 D N 6.445 126.917 120.400 0.119 0.000 2.417 302 D HA 0.214 4.854 4.640 -0.000 0.000 0.250 302 D C -1.757 174.595 176.300 0.086 0.000 1.166 302 D CA -1.386 52.677 54.000 0.105 0.000 0.881 302 D CB 2.157 43.012 40.800 0.093 0.000 1.164 302 D HN 0.355 nan 8.370 nan 0.000 0.467 303 P HA -0.152 nan 4.420 nan 0.000 0.218 303 P C 1.355 178.681 177.300 0.044 0.000 1.148 303 P CA 1.283 64.419 63.100 0.059 0.000 0.822 303 P CB 0.100 31.829 31.700 0.049 0.000 0.784 304 S N -1.279 114.447 115.700 0.042 0.000 2.428 304 S HA -0.057 4.413 4.470 -0.000 0.000 0.230 304 S C 1.243 175.862 174.600 0.031 0.000 1.014 304 S CA 0.808 59.027 58.200 0.031 0.000 0.957 304 S CB -0.732 62.485 63.200 0.028 0.000 0.784 304 S HN -0.020 nan 8.310 nan 0.000 0.499 305 E N 1.332 121.557 120.200 0.041 0.000 2.698 305 E HA 0.344 4.694 4.350 -0.000 0.000 0.242 305 E C -0.465 176.159 176.600 0.039 0.000 1.243 305 E CA 0.028 56.449 56.400 0.036 0.000 1.483 305 E CB 0.379 30.104 29.700 0.040 0.000 1.495 305 E HN 0.434 nan 8.360 nan 0.000 0.440 306 K N 1.586 122.006 120.400 0.033 0.000 3.000 306 K HA 0.115 4.435 4.320 -0.000 0.000 0.239 306 K C -0.913 175.694 176.600 0.011 0.000 1.269 306 K CA -0.163 56.147 56.287 0.039 0.000 1.220 306 K CB 0.116 32.640 32.500 0.041 0.000 1.645 306 K HN 0.046 nan 8.250 nan 0.000 0.423 307 D N 0.479 120.880 120.400 0.002 0.000 2.757 307 D HA 0.061 4.701 4.640 -0.000 0.000 0.249 307 D C -1.431 174.866 176.300 -0.005 0.000 1.168 307 D CA -0.448 53.541 54.000 -0.018 0.000 0.870 307 D CB 0.980 41.765 40.800 -0.025 0.000 1.411 307 D HN 0.333 nan 8.370 nan 0.000 0.525 308 H N 4.658 123.685 119.070 -0.073 0.000 2.742 308 H HA 0.229 4.785 4.556 -0.000 0.000 0.302 308 H C -1.676 173.597 175.328 -0.091 0.000 1.069 308 H CA -1.477 54.507 56.048 -0.107 0.000 1.446 308 H CB 1.694 31.337 29.762 -0.198 0.000 1.462 308 H HN 0.238 nan 8.280 nan 0.000 0.499 309 P HA -0.085 nan 4.420 nan 0.000 0.219 309 P C 0.462 177.812 177.300 0.082 0.000 1.146 309 P CA 1.424 64.529 63.100 0.008 0.000 0.808 309 P CB 0.329 31.985 31.700 -0.074 0.000 0.779 310 K N -2.033 118.454 120.400 0.145 0.000 2.437 310 K HA 0.095 4.415 4.320 -0.000 0.000 0.198 310 K C 1.286 177.922 176.600 0.061 0.000 1.024 310 K CA -0.180 56.108 56.287 0.001 0.000 1.148 310 K CB -0.498 31.904 32.500 -0.163 0.000 0.860 310 K HN 0.050 nan 8.250 nan 0.000 0.515 311 F N 2.220 122.168 119.950 -0.003 0.000 2.134 311 F HA -0.210 4.317 4.527 -0.000 0.000 0.299 311 F C 1.983 177.811 175.800 0.047 0.000 1.097 311 F CA 1.587 59.630 58.000 0.070 0.000 1.264 311 F CB 0.169 39.189 39.000 0.033 0.000 1.001 311 F HN 0.046 nan 8.300 nan 0.000 0.479 312 Q N 0.630 120.409 119.800 -0.035 0.000 2.439 312 Q HA -0.151 4.189 4.340 -0.000 0.000 0.211 312 Q C 1.649 177.539 176.000 -0.183 0.000 0.978 312 Q CA 0.811 56.524 55.803 -0.150 0.000 0.897 312 Q CB -0.690 28.041 28.738 -0.012 0.000 0.956 312 Q HN 0.522 nan 8.270 nan 0.000 0.483 313 N N 0.066 118.692 118.700 -0.124 0.000 2.166 313 N HA -0.122 4.618 4.740 -0.000 0.000 0.186 313 N C 1.698 177.094 175.510 -0.190 0.000 1.019 313 N CA 1.516 54.504 53.050 -0.103 0.000 0.856 313 N CB -0.053 38.425 38.487 -0.015 0.000 0.993 313 N HN 0.304 nan 8.380 nan 0.000 0.426 314 V N -3.014 116.698 119.914 -0.337 0.000 3.528 314 V HA 0.522 4.642 4.120 -0.000 0.000 0.294 314 V C 1.727 177.493 176.094 -0.546 0.000 1.404 314 V CA 0.426 62.491 62.300 -0.392 0.000 1.065 314 V CB -0.104 31.479 31.823 -0.400 0.000 0.904 314 V HN 0.078 nan 8.190 nan 0.000 0.435 315 A N 0.322 122.715 122.820 -0.712 0.000 2.024 315 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 315 A C 1.901 179.272 177.584 -0.355 0.000 1.164 315 A CA 2.136 53.773 52.037 -0.667 0.000 0.643 315 A CB -0.577 18.127 19.000 -0.493 0.000 0.806 315 A HN 0.595 nan 8.150 nan 0.000 0.451 316 D N -0.601 119.634 120.400 -0.274 0.000 2.347 316 D HA 0.093 4.733 4.640 -0.000 0.000 0.213 316 D C 0.248 176.408 176.300 -0.234 0.000 0.985 316 D CA 0.039 53.917 54.000 -0.204 0.000 0.879 316 D CB -0.010 40.732 40.800 -0.097 0.000 0.919 316 D HN 0.369 nan 8.370 nan 0.000 0.526 317 L N 1.964 123.035 121.223 -0.253 0.000 2.513 317 L HA -0.016 4.324 4.340 -0.000 0.000 0.272 317 L C 0.663 177.312 176.870 -0.369 0.000 1.187 317 L CA 0.481 55.176 54.840 -0.242 0.000 0.895 317 L CB 0.375 42.261 42.059 -0.288 0.000 1.147 317 L HN 0.004 nan 8.230 nan 0.000 0.483 318 H N 6.006 124.942 119.070 -0.224 0.000 2.489 318 H HA 0.605 5.161 4.556 -0.000 0.000 0.322 318 H C -0.201 174.939 175.328 -0.313 0.000 1.091 318 H CA -0.433 55.480 56.048 -0.225 0.000 1.291 318 H CB 1.558 31.230 29.762 -0.151 0.000 1.436 318 H HN 0.449 nan 8.280 nan 0.000 0.480 319 L N -0.132 120.960 121.223 -0.218 0.000 2.653 319 L HA 0.401 4.741 4.340 -0.000 0.000 0.257 319 L C -1.692 175.142 176.870 -0.061 0.000 0.969 319 L CA -1.268 53.478 54.840 -0.157 0.000 0.869 319 L CB 1.678 43.559 42.059 -0.297 0.000 1.439 319 L HN 0.304 nan 8.230 nan 0.000 0.414 320 Y N 2.309 122.717 120.300 0.179 0.000 2.480 320 Y HA 0.522 5.072 4.550 -0.000 0.000 0.341 320 Y C 0.184 176.242 175.900 0.263 0.000 1.031 320 Y CA 0.189 58.399 58.100 0.182 0.000 1.295 320 Y CB 0.804 39.356 38.460 0.154 0.000 1.162 320 Y HN 0.322 nan 8.280 nan 0.000 0.523 321 L N 3.943 125.373 121.223 0.345 0.000 2.333 321 L HA 0.434 4.774 4.340 -0.000 0.000 0.269 321 L C -1.164 176.005 176.870 0.497 0.000 1.010 321 L CA -1.230 53.877 54.840 0.445 0.000 0.818 321 L CB 1.750 43.980 42.059 0.286 0.000 1.306 321 L HN 0.466 nan 8.230 nan 0.000 0.430 322 Y N 1.977 122.506 120.300 0.382 0.000 2.541 322 Y HA 0.283 4.833 4.550 -0.000 0.000 0.350 322 Y C 0.046 175.978 175.900 0.053 0.000 1.075 322 Y CA -1.378 56.814 58.100 0.154 0.000 1.302 322 Y CB 1.033 39.512 38.460 0.032 0.000 1.094 322 Y HN 0.632 nan 8.280 nan 0.000 0.579 323 S N 1.947 117.659 115.700 0.021 0.000 2.593 323 S HA 0.507 4.977 4.470 -0.000 0.000 0.269 323 S C 1.402 175.790 174.600 -0.353 0.000 1.334 323 S CA -0.112 57.992 58.200 -0.159 0.000 1.015 323 S CB 1.601 64.819 63.200 0.029 0.000 0.912 323 S HN 0.794 nan 8.310 nan 0.000 0.541 324 A N 1.357 123.968 122.820 -0.348 0.000 2.070 324 A HA -0.050 4.270 4.320 -0.000 0.000 0.220 324 A C 2.097 179.558 177.584 -0.206 0.000 1.159 324 A CA 1.161 53.020 52.037 -0.297 0.000 0.656 324 A CB -0.582 18.273 19.000 -0.241 0.000 0.800 324 A HN 0.880 nan 8.150 nan 0.000 0.453 325 K N -0.594 119.721 120.400 -0.142 0.000 2.186 325 K HA 0.146 4.466 4.320 -0.000 0.000 0.202 325 K C 2.197 178.752 176.600 -0.076 0.000 1.052 325 K CA 0.783 57.020 56.287 -0.083 0.000 0.965 325 K CB -0.155 32.324 32.500 -0.035 0.000 0.746 325 K HN 0.397 nan 8.250 nan 0.000 0.457 326 A N 1.554 124.320 122.820 -0.090 0.000 2.015 326 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 326 A C 1.973 179.496 177.584 -0.101 0.000 1.163 326 A CA 1.152 53.164 52.037 -0.041 0.000 0.646 326 A CB -0.244 18.786 19.000 0.049 0.000 0.806 326 A HN 0.270 nan 8.150 nan 0.000 0.448 327 Q N -1.093 118.530 119.800 -0.294 0.000 2.096 327 Q HA -0.032 4.308 4.340 -0.000 0.000 0.197 327 Q C 2.062 177.982 176.000 -0.133 0.000 0.964 327 Q CA 1.261 56.882 55.803 -0.304 0.000 0.838 327 Q CB -0.274 28.174 28.738 -0.483 0.000 0.906 327 Q HN 0.457 nan 8.270 nan 0.000 0.444 328 V N 0.127 119.969 119.914 -0.120 0.000 2.626 328 V HA -0.190 3.930 4.120 -0.000 0.000 0.252 328 V C 1.735 177.807 176.094 -0.036 0.000 1.067 328 V CA 1.806 64.063 62.300 -0.071 0.000 1.081 328 V CB -0.058 31.724 31.823 -0.068 0.000 0.686 328 V HN 0.283 nan 8.190 nan 0.000 0.468 329 S N -0.070 115.614 115.700 -0.027 0.000 2.436 329 S HA 0.152 4.622 4.470 -0.000 0.000 0.228 329 S C 1.541 176.150 174.600 0.016 0.000 1.014 329 S CA 0.900 59.100 58.200 -0.001 0.000 0.950 329 S CB 0.150 63.355 63.200 0.010 0.000 0.784 329 S HN 1.193 nan 8.310 nan 0.000 0.504 330 G N 1.363 110.178 108.800 0.024 0.000 2.136 330 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.242 330 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.242 330 G C -0.156 174.789 174.900 0.074 0.000 0.989 330 G CA -0.110 45.020 45.100 0.050 0.000 0.682 330 G HN 0.497 nan 8.290 nan 0.000 0.522 331 Q N 0.230 120.083 119.800 0.088 0.000 2.382 331 Q HA 0.583 4.923 4.340 -0.000 0.000 0.229 331 Q C 0.561 176.668 176.000 0.178 0.000 1.006 331 Q CA 0.166 56.035 55.803 0.110 0.000 0.916 331 Q CB 0.814 29.613 28.738 0.101 0.000 1.235 331 Q HN 0.324 nan 8.270 nan 0.000 0.512 332 S N 0.190 115.966 115.700 0.127 0.000 2.693 332 S HA 0.514 4.984 4.470 -0.000 0.000 0.276 332 S C -0.257 174.407 174.600 0.107 0.000 1.192 332 S CA -0.819 57.422 58.200 0.069 0.000 0.994 332 S CB 1.161 64.374 63.200 0.020 0.000 1.012 332 S HN 0.710 nan 8.310 nan 0.000 0.550 333 A N 1.135 123.912 122.820 -0.072 0.000 2.429 333 A HA 0.418 4.738 4.320 -0.000 0.000 0.242 333 A C 0.118 177.827 177.584 0.208 0.000 1.088 333 A CA 0.079 52.156 52.037 0.067 0.000 0.784 333 A CB 0.078 18.992 19.000 -0.143 0.000 1.038 333 A HN 0.752 nan 8.150 nan 0.000 0.501 334 R N 0.283 120.932 120.500 0.248 0.000 2.561 334 R HA 0.384 4.724 4.340 -0.000 0.000 0.297 334 R C -0.760 175.573 176.300 0.054 0.000 0.969 334 R CA -0.697 55.501 56.100 0.162 0.000 0.879 334 R CB 2.001 32.375 30.300 0.125 0.000 1.178 334 R HN 0.734 nan 8.270 nan 0.000 0.445 335 K N 4.371 124.662 120.400 -0.182 0.000 2.285 335 K HA 0.329 4.648 4.320 -0.000 0.000 0.286 335 K C -0.677 175.825 176.600 -0.164 0.000 1.072 335 K CA 0.119 56.128 56.287 -0.463 0.000 0.913 335 K CB 0.644 32.626 32.500 -0.863 0.000 1.067 335 K HN 0.500 nan 8.250 nan 0.000 0.479 336 M N 2.723 122.249 119.600 -0.125 0.000 2.658 336 M HA 0.378 4.858 4.480 -0.000 0.000 0.295 336 M C -0.464 175.715 176.300 -0.202 0.000 1.248 336 M CA -1.073 54.174 55.300 -0.088 0.000 0.843 336 M CB 2.240 34.799 32.600 -0.068 0.000 1.749 336 M HN 0.452 nan 8.290 nan 0.000 0.464 337 R N 1.273 121.591 120.500 -0.303 0.000 2.298 337 R HA 0.283 4.623 4.340 -0.000 0.000 0.310 337 R C 0.680 176.796 176.300 -0.307 0.000 1.068 337 R CA -0.135 55.627 56.100 -0.563 0.000 0.957 337 R CB 0.580 30.532 30.300 -0.580 0.000 1.003 337 R HN 0.850 nan 8.270 nan 0.000 0.454 338 L N 4.185 125.222 121.223 -0.310 0.000 1.997 338 L HA -0.243 4.097 4.340 -0.000 0.000 0.216 338 L C 2.083 178.944 176.870 -0.015 0.000 1.074 338 L CA 2.165 56.895 54.840 -0.184 0.000 0.763 338 L CB -0.635 41.287 42.059 -0.229 0.000 0.890 338 L HN 1.042 nan 8.230 nan 0.000 0.434 339 G N -0.516 108.271 108.800 -0.023 0.000 2.586 339 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.218 339 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.218 339 G C 1.055 175.980 174.900 0.041 0.000 1.216 339 G CA 1.175 46.342 45.100 0.112 0.000 0.786 339 G HN 0.379 nan 8.290 nan 0.000 0.583 340 D N 1.027 121.407 120.400 -0.033 0.000 2.149 340 D HA -0.113 4.527 4.640 -0.000 0.000 0.194 340 D C 2.794 179.079 176.300 -0.025 0.000 1.001 340 D CA 1.473 55.455 54.000 -0.030 0.000 0.849 340 D CB -0.670 40.100 40.800 -0.049 0.000 0.939 340 D HN 0.343 nan 8.370 nan 0.000 0.449 341 A N 0.557 123.350 122.820 -0.045 0.000 1.883 341 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 341 A C 2.446 180.006 177.584 -0.039 0.000 1.186 341 A CA 1.789 53.799 52.037 -0.045 0.000 0.624 341 A CB -0.986 17.956 19.000 -0.096 0.000 0.822 341 A HN 0.211 nan 8.150 nan 0.000 0.444 342 V N -0.277 119.610 119.914 -0.045 0.000 2.427 342 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 342 V C 2.300 178.361 176.094 -0.054 0.000 1.051 342 V CA 2.799 65.051 62.300 -0.080 0.000 1.048 342 V CB -0.524 31.194 31.823 -0.174 0.000 0.666 342 V HN 0.613 nan 8.190 nan 0.000 0.456 343 E N 0.048 120.234 120.200 -0.024 0.000 2.153 343 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 343 E C 2.179 178.774 176.600 -0.008 0.000 0.988 343 E CA 1.342 57.734 56.400 -0.014 0.000 0.811 343 E CB -0.150 29.552 29.700 0.002 0.000 0.746 343 E HN 0.738 nan 8.360 nan 0.000 0.466 344 Q N -1.754 118.044 119.800 -0.003 0.000 2.360 344 Q HA 0.208 4.548 4.340 -0.000 0.000 0.202 344 Q C 0.884 176.893 176.000 0.015 0.000 0.915 344 Q CA 0.411 56.218 55.803 0.007 0.000 0.943 344 Q CB 0.928 29.674 28.738 0.013 0.000 1.064 344 Q HN 0.363 nan 8.270 nan 0.000 0.511 345 G N -0.254 108.552 108.800 0.010 0.000 2.195 345 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.246 345 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.246 345 G C 0.892 175.827 174.900 0.058 0.000 0.984 345 G CA 0.319 45.433 45.100 0.024 0.000 0.633 345 G HN 0.229 nan 8.290 nan 0.000 0.525 346 V N 1.059 121.015 119.914 0.069 0.000 2.219 346 V HA -0.038 4.082 4.120 -0.000 0.000 0.248 346 V C 1.921 178.137 176.094 0.203 0.000 1.053 346 V CA 2.158 64.546 62.300 0.147 0.000 1.009 346 V CB -0.341 31.562 31.823 0.133 0.000 0.636 346 V HN 0.503 nan 8.190 nan 0.000 0.445 347 I N 0.477 121.066 120.570 0.031 0.000 2.474 347 I HA 0.081 4.251 4.170 -0.000 0.000 0.287 347 I C 1.335 177.442 176.117 -0.018 0.000 1.048 347 I CA 0.370 61.631 61.300 -0.066 0.000 1.383 347 I CB 0.875 38.696 38.000 -0.298 0.000 1.412 347 I HN 0.215 nan 8.210 nan 0.000 0.531 348 N N 4.598 123.314 118.700 0.026 0.000 2.083 348 N HA -0.121 4.619 4.740 -0.000 0.000 0.190 348 N C 0.094 175.574 175.510 -0.050 0.000 1.047 348 N CA 1.033 54.094 53.050 0.019 0.000 0.845 348 N CB 0.246 38.769 38.487 0.060 0.000 1.025 348 N HN 0.817 nan 8.380 nan 0.000 0.428 349 N N -2.744 115.908 118.700 -0.080 0.000 2.509 349 N HA 0.185 4.925 4.740 -0.000 0.000 0.280 349 N C -0.067 175.299 175.510 -0.241 0.000 1.306 349 N CA -0.493 52.477 53.050 -0.133 0.000 0.782 349 N CB 1.287 39.736 38.487 -0.064 0.000 1.493 349 N HN 0.040 nan 8.380 nan 0.000 0.498 350 T N -3.140 111.200 114.554 -0.356 0.000 3.113 350 T HA 0.036 4.386 4.350 -0.000 0.000 0.256 350 T C 1.258 175.850 174.700 -0.180 0.000 1.131 350 T CA 0.260 61.974 62.100 -0.643 0.000 1.074 350 T CB -0.425 67.880 68.868 -0.938 0.000 0.944 350 T HN 0.254 nan 8.240 nan 0.000 0.516 351 V N 1.281 121.182 119.914 -0.021 0.000 2.273 351 V HA -0.006 4.114 4.120 -0.000 0.000 0.242 351 V C 2.459 178.667 176.094 0.190 0.000 1.035 351 V CA 1.244 63.627 62.300 0.140 0.000 1.013 351 V CB -0.717 31.192 31.823 0.144 0.000 0.652 351 V HN 0.422 nan 8.190 nan 0.000 0.452 352 L N 1.685 122.967 121.223 0.099 0.000 2.042 352 L HA -0.078 4.262 4.340 -0.000 0.000 0.210 352 L C 2.278 179.164 176.870 0.026 0.000 1.076 352 L CA 2.553 57.441 54.840 0.080 0.000 0.749 352 L CB -1.527 40.538 42.059 0.010 0.000 0.893 352 L HN 0.283 nan 8.230 nan 0.000 0.432 353 G N -1.632 107.140 108.800 -0.045 0.000 2.459 353 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.217 353 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.217 353 G C 1.593 176.598 174.900 0.175 0.000 1.183 353 G CA 1.024 46.129 45.100 0.008 0.000 0.776 353 G HN 0.543 nan 8.290 nan 0.000 0.552 354 Y N 0.840 121.206 120.300 0.111 0.000 2.069 354 Y HA -0.199 4.351 4.550 -0.000 0.000 0.278 354 Y C 2.459 178.216 175.900 -0.238 0.000 1.175 354 Y CA 1.983 60.014 58.100 -0.116 0.000 1.134 354 Y CB -0.495 37.613 38.460 -0.586 0.000 0.965 354 Y HN 0.197 nan 8.280 nan 0.000 0.498 355 F N -0.604 119.317 119.950 -0.047 0.000 2.186 355 F HA -0.167 4.360 4.527 -0.000 0.000 0.299 355 F C 2.316 178.098 175.800 -0.030 0.000 1.090 355 F CA 1.256 59.232 58.000 -0.040 0.000 1.307 355 F CB -0.422 38.599 39.000 0.035 0.000 1.019 355 F HN 0.014 nan 8.300 nan 0.000 0.489 356 I N -0.161 120.432 120.570 0.038 0.000 2.208 356 I HA -0.279 3.891 4.170 -0.000 0.000 0.245 356 I C 2.763 178.780 176.117 -0.167 0.000 1.097 356 I CA 1.593 62.783 61.300 -0.184 0.000 1.363 356 I CB -1.084 36.603 38.000 -0.520 0.000 1.051 356 I HN 0.202 nan 8.210 nan 0.000 0.413 357 G N 0.492 109.182 108.800 -0.183 0.000 2.421 357 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 357 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 357 G C 1.810 176.727 174.900 0.028 0.000 1.171 357 G CA 0.347 45.364 45.100 -0.138 0.000 0.775 357 G HN 0.195 nan 8.290 nan 0.000 0.543 358 R N 0.043 120.497 120.500 -0.077 0.000 2.073 358 R HA 0.011 4.351 4.340 -0.000 0.000 0.234 358 R C 2.643 179.260 176.300 0.530 0.000 1.134 358 R CA 1.007 57.176 56.100 0.115 0.000 0.952 358 R CB -0.693 29.604 30.300 -0.006 0.000 0.850 358 R HN 0.429 nan 8.270 nan 0.000 0.433 359 I N -0.146 120.800 120.570 0.628 0.000 2.127 359 I HA -0.354 3.816 4.170 -0.000 0.000 0.241 359 I C 2.453 178.967 176.117 0.661 0.000 1.075 359 I CA 1.581 63.350 61.300 0.782 0.000 1.334 359 I CB -0.521 37.874 38.000 0.659 0.000 1.040 359 I HN 0.112 nan 8.210 nan 0.000 0.405 360 Y N 1.572 122.173 120.300 0.501 0.000 2.081 360 Y HA -0.297 4.253 4.550 -0.000 0.000 0.280 360 Y C 2.342 178.403 175.900 0.268 0.000 1.163 360 Y CA 1.762 60.125 58.100 0.437 0.000 1.135 360 Y CB -0.374 38.296 38.460 0.349 0.000 0.970 360 Y HN 0.006 nan 8.280 nan 0.000 0.498 361 L N -1.053 120.356 121.223 0.310 0.000 1.990 361 L HA -0.287 4.053 4.340 -0.000 0.000 0.213 361 L C 2.434 179.270 176.870 -0.057 0.000 1.072 361 L CA 2.024 56.945 54.840 0.135 0.000 0.755 361 L CB -1.035 41.176 42.059 0.253 0.000 0.889 361 L HN 0.373 nan 8.230 nan 0.000 0.432 362 Y N 0.602 120.753 120.300 -0.248 0.000 2.114 362 Y HA -0.279 4.271 4.550 -0.000 0.000 0.282 362 Y C 2.313 178.111 175.900 -0.170 0.000 1.165 362 Y CA 1.680 59.460 58.100 -0.533 0.000 1.148 362 Y CB -0.263 37.965 38.460 -0.386 0.000 0.972 362 Y HN 0.015 nan 8.280 nan 0.000 0.504 363 L N -1.016 120.173 121.223 -0.057 0.000 2.093 363 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 363 L C 2.307 179.042 176.870 -0.226 0.000 1.085 363 L CA 1.617 56.384 54.840 -0.122 0.000 0.755 363 L CB -0.857 41.251 42.059 0.082 0.000 0.904 363 L HN 0.204 nan 8.230 nan 0.000 0.435 364 T N -0.576 113.813 114.554 -0.274 0.000 2.708 364 T HA -0.245 4.105 4.350 -0.000 0.000 0.266 364 T C 1.902 176.491 174.700 -0.186 0.000 1.037 364 T CA 1.488 63.440 62.100 -0.247 0.000 1.146 364 T CB -0.123 68.544 68.868 -0.335 0.000 0.865 364 T HN 0.200 nan 8.240 nan 0.000 0.435 365 K N 0.741 121.002 120.400 -0.233 0.000 2.103 365 K HA -0.072 4.248 4.320 -0.000 0.000 0.207 365 K C 1.749 178.219 176.600 -0.218 0.000 1.048 365 K CA 1.049 57.215 56.287 -0.202 0.000 0.930 365 K CB -0.229 32.122 32.500 -0.248 0.000 0.716 365 K HN 0.142 nan 8.250 nan 0.000 0.444 366 V N -0.421 119.286 119.914 -0.344 0.000 3.623 366 V HA 0.140 4.260 4.120 -0.000 0.000 0.271 366 V C 1.109 177.100 176.094 -0.171 0.000 1.248 366 V CA 0.906 63.018 62.300 -0.314 0.000 1.156 366 V CB 0.316 31.831 31.823 -0.515 0.000 0.870 366 V HN 0.701 nan 8.190 nan 0.000 0.453 367 G N 0.224 108.963 108.800 -0.103 0.000 2.205 367 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.180 367 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.180 367 G C 0.048 174.974 174.900 0.043 0.000 1.004 367 G CA -0.328 44.775 45.100 0.005 0.000 0.670 367 G HN 0.421 nan 8.290 nan 0.000 0.496 368 I N 2.312 122.885 120.570 0.005 0.000 2.575 368 I HA 0.324 4.494 4.170 -0.000 0.000 0.285 368 I C 0.684 176.899 176.117 0.164 0.000 1.085 368 I CA -0.223 61.156 61.300 0.132 0.000 1.403 368 I CB 1.367 39.388 38.000 0.035 0.000 1.409 368 I HN 0.087 nan 8.210 nan 0.000 0.557 369 S N 7.639 123.505 115.700 0.278 0.000 2.474 369 S HA 0.141 4.611 4.470 -0.000 0.000 0.276 369 S C -1.637 173.015 174.600 0.086 0.000 1.227 369 S CA -1.009 57.219 58.200 0.047 0.000 1.050 369 S CB 0.967 64.046 63.200 -0.201 0.000 0.939 369 S HN 0.456 nan 8.310 nan 0.000 0.490 370 P HA -0.174 nan 4.420 nan 0.000 0.217 370 P C 1.065 178.534 177.300 0.281 0.000 1.148 370 P CA 1.066 64.318 63.100 0.253 0.000 0.828 370 P CB 0.004 31.881 31.700 0.296 0.000 0.783 371 D N -0.748 119.746 120.400 0.156 0.000 2.363 371 D HA -0.094 4.546 4.640 -0.000 0.000 0.226 371 D C 0.553 176.854 176.300 0.001 0.000 1.020 371 D CA 0.669 54.722 54.000 0.088 0.000 0.892 371 D CB -0.334 40.493 40.800 0.045 0.000 0.900 371 D HN 0.228 nan 8.370 nan 0.000 0.531 372 K N 0.286 120.698 120.400 0.020 0.000 2.934 372 K HA 0.342 4.662 4.320 -0.000 0.000 0.210 372 K C -0.485 176.231 176.600 0.194 0.000 1.122 372 K CA -0.255 56.004 56.287 -0.046 0.000 1.033 372 K CB 1.453 33.765 32.500 -0.312 0.000 0.779 372 K HN 0.054 nan 8.250 nan 0.000 0.459 373 L N 1.894 123.344 121.223 0.378 0.000 2.470 373 L HA 0.536 4.876 4.340 -0.000 0.000 0.268 373 L C -1.380 175.731 176.870 0.401 0.000 0.964 373 L CA -0.602 54.477 54.840 0.398 0.000 0.839 373 L CB 1.659 43.904 42.059 0.311 0.000 1.276 373 L HN 0.283 nan 8.230 nan 0.000 0.403 374 R N 2.703 123.348 120.500 0.241 0.000 2.764 374 R HA 0.584 4.924 4.340 -0.000 0.000 0.270 374 R C -2.236 174.041 176.300 -0.038 0.000 1.014 374 R CA -0.724 55.464 56.100 0.148 0.000 0.904 374 R CB 1.674 31.892 30.300 -0.136 0.000 1.236 374 R HN 0.306 nan 8.270 nan 0.000 0.466 375 F N 0.908 121.042 119.950 0.307 0.000 2.427 375 F HA 0.521 5.048 4.527 -0.000 0.000 0.348 375 F C 0.341 176.470 175.800 0.549 0.000 1.125 375 F CA -0.658 57.592 58.000 0.417 0.000 0.989 375 F CB 1.930 41.160 39.000 0.384 0.000 1.165 375 F HN 0.351 nan 8.300 nan 0.000 0.442 376 R N 3.053 123.850 120.500 0.495 0.000 2.393 376 R HA 0.364 4.704 4.340 -0.000 0.000 0.310 376 R C -0.769 175.493 176.300 -0.064 0.000 0.968 376 R CA -0.610 55.626 56.100 0.227 0.000 0.867 376 R CB 1.407 31.802 30.300 0.158 0.000 1.124 376 R HN 0.752 nan 8.270 nan 0.000 0.450 377 Q N 2.444 121.884 119.800 -0.601 0.000 2.243 377 Q HA 0.147 4.487 4.340 -0.000 0.000 0.252 377 Q C -0.928 174.824 176.000 -0.413 0.000 0.909 377 Q CA -0.727 54.471 55.803 -1.008 0.000 0.922 377 Q CB 0.816 28.598 28.738 -1.593 0.000 1.215 377 Q HN 0.608 nan 8.270 nan 0.000 0.427 378 H N 2.197 121.013 119.070 -0.423 0.000 2.871 378 H HA 0.094 4.650 4.556 -0.000 0.000 0.355 378 H C 0.066 175.246 175.328 -0.248 0.000 1.092 378 H CA 0.737 56.633 56.048 -0.252 0.000 1.420 378 H CB 0.467 30.132 29.762 -0.162 0.000 1.400 378 H HN 0.540 nan 8.280 nan 0.000 0.604 379 M N 1.513 121.035 119.600 -0.131 0.000 2.494 379 M HA 0.137 4.617 4.480 -0.000 0.000 0.300 379 M C 1.496 177.754 176.300 -0.070 0.000 1.189 379 M CA -0.723 54.501 55.300 -0.127 0.000 0.982 379 M CB 0.962 33.471 32.600 -0.153 0.000 1.534 379 M HN 0.585 nan 8.290 nan 0.000 0.488 380 E N 1.408 121.569 120.200 -0.066 0.000 2.097 380 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 380 E C 1.414 177.993 176.600 -0.036 0.000 1.000 380 E CA 1.899 58.274 56.400 -0.041 0.000 0.804 380 E CB -0.584 29.092 29.700 -0.041 0.000 0.740 380 E HN 0.738 nan 8.360 nan 0.000 0.454 381 N N 1.020 119.687 118.700 -0.054 0.000 2.188 381 N HA -0.185 4.555 4.740 -0.000 0.000 0.184 381 N C 1.385 176.867 175.510 -0.048 0.000 1.018 381 N CA 1.096 54.112 53.050 -0.057 0.000 0.858 381 N CB -0.359 38.080 38.487 -0.079 0.000 0.989 381 N HN 0.345 nan 8.380 nan 0.000 0.426 382 E N 1.779 121.950 120.200 -0.049 0.000 2.502 382 E HA 0.020 4.370 4.350 -0.000 0.000 0.194 382 E C 1.180 177.807 176.600 0.044 0.000 1.062 382 E CA -0.339 56.039 56.400 -0.038 0.000 0.867 382 E CB -0.310 29.311 29.700 -0.132 0.000 0.888 382 E HN 0.370 nan 8.360 nan 0.000 0.510 387 A N 1.555 124.451 122.820 0.127 0.000 2.260 387 A HA 0.875 5.195 4.320 -0.000 0.000 0.278 387 A C 0.265 177.893 177.584 0.073 0.000 1.269 387 A CA 0.261 52.341 52.037 0.072 0.000 0.824 387 A CB 0.307 19.332 19.000 0.042 0.000 1.238 387 A HN 1.733 nan 8.150 nan 0.000 0.507 388 C N -1.750 117.569 119.300 0.032 0.000 3.283 388 C HA 0.589 5.049 4.460 -0.000 0.000 0.359 388 C C -1.172 173.812 174.990 -0.011 0.000 1.160 388 C CA -1.002 58.024 59.018 0.014 0.000 1.232 388 C CB 0.505 28.242 27.740 -0.005 0.000 1.571 388 C HN 0.883 nan 8.230 nan 0.000 0.522 389 D N 1.223 121.631 120.400 0.012 0.000 2.343 389 D HA 0.449 5.089 4.640 -0.000 0.000 0.255 389 D C -0.388 175.927 176.300 0.025 0.000 1.187 389 D CA 0.403 54.423 54.000 0.034 0.000 0.875 389 D CB 0.984 41.848 40.800 0.107 0.000 1.136 389 D HN 0.977 nan 8.370 nan 0.000 0.469 390 C N 6.238 125.492 119.300 -0.077 0.000 2.516 390 C HA 0.672 5.132 4.460 -0.000 0.000 0.338 390 C C -1.628 173.260 174.990 -0.170 0.000 1.132 390 C CA -0.712 58.217 59.018 -0.149 0.000 1.310 390 C CB -0.658 26.791 27.740 -0.486 0.000 1.898 390 C HN 0.644 nan 8.230 nan 0.000 0.452 391 W N 3.859 125.157 121.300 -0.005 0.000 2.666 391 W HA 0.577 5.237 4.660 -0.000 0.000 0.334 391 W C -0.556 176.052 176.519 0.148 0.000 1.051 391 W CA -0.016 57.407 57.345 0.130 0.000 1.224 391 W CB 1.309 30.873 29.460 0.173 0.000 1.405 391 W HN 0.543 nan 8.180 nan 0.000 0.513 392 D N 1.437 122.079 120.400 0.403 0.000 2.375 392 D HA 0.490 5.130 4.640 -0.000 0.000 0.247 392 D C -0.558 175.865 176.300 0.204 0.000 1.061 392 D CA -0.541 53.614 54.000 0.259 0.000 0.834 392 D CB 1.841 42.763 40.800 0.203 0.000 1.247 392 D HN 0.378 nan 8.370 nan 0.000 0.489 393 A N 2.676 125.523 122.820 0.045 0.000 2.404 393 A HA 0.358 4.678 4.320 -0.000 0.000 0.273 393 A C 0.108 177.642 177.584 -0.083 0.000 1.144 393 A CA -0.064 51.795 52.037 -0.296 0.000 0.806 393 A CB 0.203 19.041 19.000 -0.270 0.000 1.080 393 A HN 0.477 nan 8.150 nan 0.000 0.509 394 E N 1.449 121.632 120.200 -0.029 0.000 2.238 394 E HA 0.511 4.861 4.350 -0.000 0.000 0.267 394 E C -0.738 176.071 176.600 0.349 0.000 0.887 394 E CA -0.671 55.837 56.400 0.180 0.000 0.769 394 E CB 2.012 31.866 29.700 0.256 0.000 1.187 394 E HN 0.687 nan 8.360 nan 0.000 0.416 395 S N 2.157 118.023 115.700 0.277 0.000 2.472 395 S HA 0.374 4.844 4.470 -0.000 0.000 0.303 395 S C -0.268 174.269 174.600 -0.106 0.000 1.099 395 S CA -1.088 57.205 58.200 0.155 0.000 1.077 395 S CB 1.712 64.915 63.200 0.005 0.000 1.031 395 S HN 0.273 nan 8.310 nan 0.000 0.487 396 K N 1.808 121.779 120.400 -0.715 0.000 2.349 396 K HA 0.381 4.701 4.320 -0.000 0.000 0.288 396 K C -0.245 176.114 176.600 -0.401 0.000 1.058 396 K CA 0.274 55.813 56.287 -1.248 0.000 0.953 396 K CB 0.924 32.322 32.500 -1.837 0.000 0.997 396 K HN 0.878 nan 8.250 nan 0.000 0.477 397 T N 0.240 114.631 114.554 -0.272 0.000 2.716 397 T HA 0.157 4.507 4.350 -0.000 0.000 0.286 397 T C 1.145 175.815 174.700 -0.049 0.000 1.052 397 T CA 0.022 62.099 62.100 -0.039 0.000 1.024 397 T CB 0.882 69.822 68.868 0.121 0.000 1.349 397 T HN 0.510 nan 8.240 nan 0.000 0.525 398 S N -0.095 115.600 115.700 -0.009 0.000 2.453 398 S HA -0.006 4.464 4.470 -0.000 0.000 0.231 398 S C 1.142 175.614 174.600 -0.214 0.000 1.005 398 S CA 0.765 58.880 58.200 -0.142 0.000 0.949 398 S CB -0.668 62.404 63.200 -0.213 0.000 0.774 398 S HN 0.719 nan 8.310 nan 0.000 0.510 399 Y N 2.727 123.035 120.300 0.014 0.000 2.462 399 Y HA 0.440 4.990 4.550 -0.000 0.000 0.293 399 Y C 1.649 177.546 175.900 -0.006 0.000 1.195 399 Y CA 0.085 58.183 58.100 -0.003 0.000 1.276 399 Y CB -0.338 38.114 38.460 -0.015 0.000 1.082 399 Y HN 0.563 nan 8.280 nan 0.000 0.514 400 G N -0.615 108.224 108.800 0.065 0.000 2.698 400 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.225 400 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.225 400 G C -0.936 173.969 174.900 0.009 0.000 1.345 400 G CA -1.106 44.014 45.100 0.032 0.000 0.871 400 G HN 0.248 nan 8.290 nan 0.000 0.540 401 W N 0.602 121.935 121.300 0.054 0.000 2.381 401 W HA 0.521 5.181 4.660 -0.000 0.000 0.321 401 W C 1.262 177.809 176.519 0.046 0.000 1.407 401 W CA 0.521 57.893 57.345 0.045 0.000 1.274 401 W CB 0.294 29.770 29.460 0.026 0.000 1.310 401 W HN 0.591 nan 8.180 nan 0.000 0.551 402 I N 1.031 121.750 120.570 0.248 0.000 2.689 402 I HA 0.543 4.713 4.170 -0.000 0.000 0.299 402 I C -0.429 175.760 176.117 0.120 0.000 1.059 402 I CA -1.529 59.857 61.300 0.143 0.000 1.055 402 I CB 2.089 40.128 38.000 0.065 0.000 1.243 402 I HN 0.417 nan 8.210 nan 0.000 0.425 403 E N 5.953 126.198 120.200 0.074 0.000 2.289 403 E HA 0.340 4.690 4.350 -0.000 0.000 0.278 403 E C 0.034 176.640 176.600 0.010 0.000 1.032 403 E CA -0.282 56.151 56.400 0.054 0.000 0.854 403 E CB 1.314 31.048 29.700 0.056 0.000 1.046 403 E HN 0.803 nan 8.360 nan 0.000 0.409 404 I N 0.359 120.932 120.570 0.005 0.000 4.592 404 I HA 0.325 4.495 4.170 -0.000 0.000 0.329 404 I C -0.607 175.494 176.117 -0.026 0.000 1.309 404 I CA -0.554 60.740 61.300 -0.009 0.000 1.243 404 I CB 0.901 38.907 38.000 0.010 0.000 1.241 404 I HN 0.249 nan 8.210 nan 0.000 0.434 405 V N 2.607 122.485 119.914 -0.061 0.000 2.532 405 V HA 0.659 4.779 4.120 -0.000 0.000 0.294 405 V C 0.498 176.506 176.094 -0.143 0.000 1.036 405 V CA -0.603 61.573 62.300 -0.207 0.000 0.876 405 V CB 1.202 32.826 31.823 -0.331 0.000 1.012 405 V HN 0.312 nan 8.190 nan 0.000 0.432 406 G N 1.748 110.454 108.800 -0.156 0.000 2.527 406 G HA2 0.407 4.367 3.960 -0.000 0.000 0.248 406 G HA3 0.407 4.367 3.960 -0.000 0.000 0.248 406 G C -0.385 174.450 174.900 -0.107 0.000 1.231 406 G CA -0.122 44.931 45.100 -0.078 0.000 0.838 406 G HN 0.885 nan 8.290 nan 0.000 0.570 407 C N 1.940 121.228 119.300 -0.020 0.000 3.296 407 C HA 0.668 5.128 4.460 -0.000 0.000 0.317 407 C C 0.426 175.422 174.990 0.011 0.000 1.040 407 C CA -0.340 58.673 59.018 -0.009 0.000 1.352 407 C CB -1.001 26.794 27.740 0.091 0.000 1.797 407 C HN 1.062 nan 8.230 nan 0.000 0.552 408 A N 3.147 125.929 122.820 -0.062 0.000 2.293 408 A HA 0.759 5.079 4.320 -0.000 0.000 0.302 408 A C -0.624 176.924 177.584 -0.060 0.000 1.119 408 A CA -0.061 51.933 52.037 -0.071 0.000 0.823 408 A CB 0.707 19.648 19.000 -0.098 0.000 1.097 408 A HN 0.759 nan 8.150 nan 0.000 0.491 409 D N 0.729 121.110 120.400 -0.032 0.000 2.549 409 D HA 0.426 5.066 4.640 -0.000 0.000 0.251 409 D C -0.671 175.607 176.300 -0.036 0.000 1.153 409 D CA -0.218 53.765 54.000 -0.029 0.000 0.861 409 D CB 0.725 41.545 40.800 0.034 0.000 1.207 409 D HN 0.535 nan 8.370 nan 0.000 0.543 410 R N 2.199 122.648 120.500 -0.085 0.000 2.740 410 R HA 0.496 4.836 4.340 -0.000 0.000 0.282 410 R C 0.407 176.729 176.300 0.037 0.000 0.969 410 R CA -0.776 55.300 56.100 -0.041 0.000 0.918 410 R CB 2.012 32.236 30.300 -0.126 0.000 1.175 410 R HN 0.231 nan 8.270 nan 0.000 0.464 411 S N 0.198 115.962 115.700 0.106 0.000 2.541 411 S HA 0.084 4.554 4.470 -0.000 0.000 0.219 411 S C 0.439 175.126 174.600 0.145 0.000 1.025 411 S CA 0.244 58.516 58.200 0.119 0.000 0.917 411 S CB 0.405 63.633 63.200 0.047 0.000 0.859 411 S HN 0.593 nan 8.310 nan 0.000 0.584 412 C N 2.768 122.077 119.300 0.014 0.000 2.295 412 C HA 0.813 5.273 4.460 -0.000 0.000 0.331 412 C C -0.163 174.693 174.990 -0.223 0.000 1.280 412 C CA -0.972 57.875 59.018 -0.286 0.000 1.746 412 C CB -1.394 26.026 27.740 -0.533 0.000 2.328 412 C HN 0.712 nan 8.230 nan 0.000 0.521 413 Y N -0.541 119.499 120.300 -0.433 0.000 2.958 413 Y HA 0.413 4.963 4.550 -0.000 0.000 0.315 413 Y C 0.604 176.323 175.900 -0.301 0.000 1.541 413 Y CA -0.963 56.989 58.100 -0.247 0.000 1.087 413 Y CB 0.067 38.442 38.460 -0.142 0.000 1.593 413 Y HN 0.338 nan 8.280 nan 0.000 0.446 414 D N 0.354 120.685 120.400 -0.115 0.000 2.218 414 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 414 D C 1.879 177.924 176.300 -0.426 0.000 0.976 414 D CA 1.488 55.358 54.000 -0.216 0.000 0.853 414 D CB 0.193 41.059 40.800 0.109 0.000 0.939 414 D HN 0.505 nan 8.370 nan 0.000 0.481 415 L N 1.396 122.136 121.223 -0.805 0.000 2.042 415 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 415 L C 2.245 178.841 176.870 -0.458 0.000 1.076 415 L CA 1.619 56.083 54.840 -0.628 0.000 0.749 415 L CB -0.584 40.985 42.059 -0.816 0.000 0.893 415 L HN -0.135 nan 8.230 nan 0.000 0.432 416 S N -1.588 113.757 115.700 -0.592 0.000 2.368 416 S HA -0.210 4.260 4.470 -0.000 0.000 0.225 416 S C 2.084 176.526 174.600 -0.263 0.000 1.030 416 S CA 1.326 59.281 58.200 -0.408 0.000 0.999 416 S CB -1.022 61.901 63.200 -0.462 0.000 0.844 416 S HN 0.612 nan 8.310 nan 0.000 0.459 417 C N 1.606 120.741 119.300 -0.276 0.000 2.442 417 C HA -0.070 4.390 4.460 -0.000 0.000 0.279 417 C C 2.656 177.550 174.990 -0.160 0.000 1.237 417 C CA 0.506 59.400 59.018 -0.207 0.000 1.722 417 C CB -1.511 26.084 27.740 -0.242 0.000 2.056 417 C HN 0.608 nan 8.230 nan 0.000 0.469 418 H N 0.968 120.006 119.070 -0.054 0.000 2.353 418 H HA -0.132 4.424 4.556 -0.000 0.000 0.298 418 H C 2.422 177.734 175.328 -0.028 0.000 1.103 418 H CA 1.973 58.014 56.048 -0.012 0.000 1.293 418 H CB -0.943 28.832 29.762 0.022 0.000 1.372 418 H HN 0.525 nan 8.280 nan 0.000 0.501 419 A N 1.933 124.781 122.820 0.047 0.000 1.859 419 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 419 A C 2.522 180.105 177.584 -0.002 0.000 1.198 419 A CA 2.471 54.508 52.037 -0.000 0.000 0.629 419 A CB -0.547 18.409 19.000 -0.073 0.000 0.830 419 A HN 0.603 nan 8.150 nan 0.000 0.446 420 R N -0.733 119.751 120.500 -0.027 0.000 2.193 420 R HA 0.256 4.596 4.340 -0.000 0.000 0.213 420 R C 2.099 178.399 176.300 0.000 0.000 1.055 420 R CA 1.171 57.260 56.100 -0.019 0.000 0.995 420 R CB -0.528 29.750 30.300 -0.036 0.000 0.893 420 R HN 0.338 nan 8.270 nan 0.000 0.459 421 A N 1.869 124.696 122.820 0.012 0.000 1.858 421 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 421 A C 2.327 179.939 177.584 0.046 0.000 1.190 421 A CA 2.045 54.102 52.037 0.034 0.000 0.617 421 A CB -0.939 18.098 19.000 0.061 0.000 0.827 421 A HN 0.589 nan 8.150 nan 0.000 0.443 422 T N -4.095 110.494 114.554 0.059 0.000 3.065 422 T HA 0.179 4.529 4.350 -0.000 0.000 0.252 422 T C 0.624 175.344 174.700 0.034 0.000 1.099 422 T CA 0.756 62.886 62.100 0.051 0.000 1.063 422 T CB -0.271 68.634 68.868 0.062 0.000 0.948 422 T HN 0.557 nan 8.240 nan 0.000 0.506 423 K N -0.011 120.405 120.400 0.026 0.000 3.230 423 K HA -0.098 4.222 4.320 -0.000 0.000 0.285 423 K C -0.817 175.793 176.600 0.018 0.000 1.196 423 K CA 0.304 56.601 56.287 0.016 0.000 0.838 423 K CB -2.425 30.083 32.500 0.014 0.000 1.262 423 K HN 0.400 nan 8.250 nan 0.000 0.492 424 V N 1.788 121.717 119.914 0.025 0.000 2.357 424 V HA 0.274 4.394 4.120 -0.000 0.000 0.284 424 V C -1.754 174.357 176.094 0.028 0.000 1.018 424 V CA -1.731 60.586 62.300 0.029 0.000 0.841 424 V CB 1.242 33.089 31.823 0.040 0.000 0.991 424 V HN 0.004 nan 8.190 nan 0.000 0.437 425 P HA 0.198 nan 4.420 nan 0.000 0.267 425 P C -0.754 176.573 177.300 0.045 0.000 1.205 425 P CA 0.091 63.203 63.100 0.019 0.000 0.765 425 P CB 0.811 32.524 31.700 0.021 0.000 0.828 426 L N 4.492 125.718 121.223 0.006 0.000 2.502 426 L HA 0.390 4.730 4.340 -0.000 0.000 0.247 426 L C 0.333 177.131 176.870 -0.120 0.000 1.180 426 L CA -0.683 54.163 54.840 0.010 0.000 0.956 426 L CB 0.985 42.988 42.059 -0.094 0.000 1.282 426 L HN 0.211 nan 8.230 nan 0.000 0.470 427 V N -1.479 118.489 119.914 0.090 0.000 3.181 427 V HA 0.976 5.096 4.120 -0.000 0.000 0.308 427 V C -0.583 175.655 176.094 0.239 0.000 1.214 427 V CA -0.819 61.529 62.300 0.080 0.000 1.053 427 V CB 1.980 33.817 31.823 0.024 0.000 1.069 427 V HN 0.357 nan 8.190 nan 0.000 0.441 428 A N 0.634 123.573 122.820 0.198 0.000 2.342 428 A HA 0.808 5.128 4.320 -0.000 0.000 0.323 428 A C -0.314 177.340 177.584 0.116 0.000 1.125 428 A CA -0.659 51.493 52.037 0.191 0.000 0.785 428 A CB 0.918 20.061 19.000 0.239 0.000 1.221 428 A HN 0.929 nan 8.150 nan 0.000 0.463 429 E N 0.927 121.177 120.200 0.083 0.000 2.283 429 E HA 0.448 4.798 4.350 -0.000 0.000 0.271 429 E C -0.723 175.907 176.600 0.050 0.000 1.031 429 E CA -0.471 55.962 56.400 0.056 0.000 0.868 429 E CB 1.398 31.112 29.700 0.023 0.000 1.094 429 E HN 0.485 nan 8.360 nan 0.000 0.401 430 K N 2.778 123.205 120.400 0.044 0.000 2.581 430 K HA 0.299 4.619 4.320 -0.000 0.000 0.249 430 K C -2.716 173.798 176.600 -0.143 0.000 0.966 430 K CA -1.915 54.391 56.287 0.032 0.000 0.811 430 K CB 1.869 34.456 32.500 0.146 0.000 1.223 430 K HN 0.278 nan 8.250 nan 0.000 0.438 513 V N 2.731 122.737 119.914 0.154 0.000 2.380 513 V HA 0.289 4.409 4.120 -0.000 0.000 0.272 513 V C -0.455 175.753 176.094 0.191 0.000 1.011 513 V CA -0.574 61.764 62.300 0.063 0.000 0.826 513 V CB 1.093 32.926 31.823 0.017 0.000 1.040 513 V HN 0.782 nan 8.190 nan 0.000 0.441 514 E N 3.537 123.923 120.200 0.311 0.000 2.217 514 E HA 0.133 4.483 4.350 -0.000 0.000 0.279 514 E C 0.185 176.863 176.600 0.131 0.000 1.068 514 E CA -0.232 56.309 56.400 0.236 0.000 0.882 514 E CB 0.685 30.554 29.700 0.280 0.000 1.039 514 E HN 0.721 nan 8.360 nan 0.000 0.418 515 E N 4.015 124.266 120.200 0.086 0.000 2.265 515 E HA 0.083 4.433 4.350 -0.000 0.000 0.272 515 E C -1.143 175.490 176.600 0.055 0.000 1.067 515 E CA -0.276 56.159 56.400 0.059 0.000 0.900 515 E CB 0.757 30.477 29.700 0.034 0.000 1.017 515 E HN 0.257 nan 8.360 nan 0.000 0.431 516 V N 5.735 125.689 119.914 0.067 0.000 2.384 516 V HA 0.167 4.287 4.120 -0.000 0.000 0.287 516 V C -0.126 175.994 176.094 0.044 0.000 1.020 516 V CA -0.886 61.453 62.300 0.065 0.000 0.850 516 V CB 1.594 33.477 31.823 0.099 0.000 0.987 516 V HN 0.494 nan 8.190 nan 0.000 0.436 517 V N 4.699 124.616 119.914 0.006 0.000 2.334 517 V HA 0.405 4.525 4.120 -0.000 0.000 0.267 517 V C -2.247 173.866 176.094 0.031 0.000 1.040 517 V CA -2.049 60.225 62.300 -0.044 0.000 0.866 517 V CB 0.366 32.120 31.823 -0.114 0.000 1.019 517 V HN 0.690 nan 8.190 nan 0.000 0.468 518 P HA 0.265 nan 4.420 nan 0.000 0.271 518 P C -0.203 177.257 177.300 0.266 0.000 1.218 518 P CA -0.239 62.982 63.100 0.202 0.000 0.780 518 P CB 0.567 32.459 31.700 0.319 0.000 0.901 519 N N 0.205 119.023 118.700 0.197 0.000 2.424 519 N HA 0.328 5.067 4.740 -0.000 0.000 0.257 519 N C -0.571 174.972 175.510 0.054 0.000 1.250 519 N CA -0.227 52.913 53.050 0.149 0.000 0.946 519 N CB 0.371 38.910 38.487 0.087 0.000 1.175 519 N HN 0.192 nan 8.380 nan 0.000 0.477 520 V N -1.545 118.263 119.914 -0.176 0.000 2.709 520 V HA 0.592 4.712 4.120 -0.000 0.000 0.308 520 V C -0.483 175.470 176.094 -0.234 0.000 1.062 520 V CA -1.026 61.081 62.300 -0.322 0.000 0.901 520 V CB 1.537 32.974 31.823 -0.642 0.000 1.003 520 V HN 0.285 nan 8.190 nan 0.000 0.425 521 I N 3.140 123.599 120.570 -0.185 0.000 2.353 521 I HA 0.463 4.633 4.170 -0.000 0.000 0.293 521 I C 0.532 176.468 176.117 -0.302 0.000 0.992 521 I CA -0.092 61.086 61.300 -0.204 0.000 1.268 521 I CB 1.330 39.209 38.000 -0.202 0.000 1.387 521 I HN 0.778 nan 8.210 nan 0.000 0.478 522 E N 7.087 127.139 120.200 -0.247 0.000 3.167 522 E HA 0.280 4.630 4.350 -0.000 0.000 0.212 522 E C -2.420 174.057 176.600 -0.204 0.000 1.143 522 E CA -1.752 54.513 56.400 -0.226 0.000 1.002 522 E CB 0.505 30.105 29.700 -0.165 0.000 1.315 522 E HN 0.305 nan 8.360 nan 0.000 0.422 523 P HA -0.031 nan 4.420 nan 0.000 0.266 523 P C -0.534 176.649 177.300 -0.194 0.000 1.215 523 P CA 0.204 63.153 63.100 -0.252 0.000 0.763 523 P CB 0.813 32.403 31.700 -0.183 0.000 0.806 524 S N 3.910 119.404 115.700 -0.344 0.000 2.733 524 S HA 0.570 5.040 4.470 -0.000 0.000 0.307 524 S C -1.235 173.188 174.600 -0.294 0.000 1.127 524 S CA -0.620 57.469 58.200 -0.184 0.000 1.097 524 S CB -0.363 62.771 63.200 -0.110 0.000 1.003 524 S HN 0.061 nan 8.310 nan 0.000 0.477 525 F N 2.909 122.805 119.950 -0.090 0.000 2.385 525 F HA 0.488 5.015 4.527 -0.000 0.000 0.360 525 F C 1.167 176.892 175.800 -0.125 0.000 1.122 525 F CA -0.763 57.179 58.000 -0.097 0.000 1.090 525 F CB 1.463 40.357 39.000 -0.176 0.000 1.150 525 F HN 0.648 nan 8.300 nan 0.000 0.472 526 G N 4.838 113.658 108.800 0.034 0.000 2.663 526 G HA2 0.354 4.314 3.960 -0.000 0.000 0.320 526 G HA3 0.354 4.314 3.960 -0.000 0.000 0.320 526 G C 0.876 175.768 174.900 -0.014 0.000 0.937 526 G CA -0.349 44.734 45.100 -0.029 0.000 1.332 526 G HN 0.786 nan 8.290 nan 0.000 0.461 527 L N 2.479 123.685 121.223 -0.030 0.000 2.042 527 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 527 L C 3.095 179.920 176.870 -0.075 0.000 1.076 527 L CA 1.449 56.254 54.840 -0.059 0.000 0.749 527 L CB -0.451 41.528 42.059 -0.133 0.000 0.893 527 L HN 0.549 nan 8.230 nan 0.000 0.432 528 G N 0.082 108.842 108.800 -0.066 0.000 2.491 528 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.218 528 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.218 528 G C 1.732 176.594 174.900 -0.063 0.000 1.180 528 G CA 0.769 45.837 45.100 -0.053 0.000 0.774 528 G HN 0.303 nan 8.290 nan 0.000 0.562 529 R N -0.156 120.300 120.500 -0.073 0.000 2.115 529 R HA 0.066 4.406 4.340 -0.000 0.000 0.230 529 R C 2.635 178.916 176.300 -0.032 0.000 1.111 529 R CA 0.894 56.962 56.100 -0.053 0.000 0.976 529 R CB -0.386 29.867 30.300 -0.078 0.000 0.870 529 R HN 0.421 nan 8.270 nan 0.000 0.445 530 I N 0.702 121.248 120.570 -0.039 0.000 2.142 530 I HA -0.334 3.836 4.170 -0.000 0.000 0.240 530 I C 2.683 178.698 176.117 -0.170 0.000 1.078 530 I CA 1.426 62.696 61.300 -0.049 0.000 1.343 530 I CB -0.241 37.789 38.000 0.050 0.000 1.046 530 I HN 0.155 nan 8.210 nan 0.000 0.405 531 M N -0.397 119.070 119.600 -0.221 0.000 2.082 531 M HA -0.316 4.164 4.480 -0.000 0.000 0.258 531 M C 2.453 178.350 176.300 -0.672 0.000 1.069 531 M CA 2.135 57.155 55.300 -0.465 0.000 1.102 531 M CB -0.348 32.032 32.600 -0.366 0.000 1.336 531 M HN 0.243 nan 8.290 nan 0.000 0.404 532 Y N 0.327 120.402 120.300 -0.374 0.000 2.163 532 Y HA -0.226 4.324 4.550 -0.000 0.000 0.288 532 Y C 2.260 178.074 175.900 -0.144 0.000 1.136 532 Y CA 2.269 60.289 58.100 -0.133 0.000 1.147 532 Y CB -0.667 37.777 38.460 -0.026 0.000 0.987 532 Y HN 0.209 nan 8.280 nan 0.000 0.509 533 T N -0.361 114.108 114.554 -0.140 0.000 2.759 533 T HA -0.205 4.145 4.350 -0.000 0.000 0.269 533 T C 2.029 176.440 174.700 -0.480 0.000 1.042 533 T CA 1.694 63.583 62.100 -0.353 0.000 1.140 533 T CB -0.742 67.917 68.868 -0.349 0.000 0.864 533 T HN 0.212 nan 8.240 nan 0.000 0.455 534 V N 0.817 120.511 119.914 -0.366 0.000 2.343 534 V HA -0.116 4.004 4.120 -0.000 0.000 0.247 534 V C 2.162 178.223 176.094 -0.055 0.000 1.051 534 V CA 1.474 63.639 62.300 -0.225 0.000 1.036 534 V CB -0.806 30.850 31.823 -0.278 0.000 0.654 534 V HN 0.356 nan 8.190 nan 0.000 0.451 535 F N 0.756 120.631 119.950 -0.125 0.000 2.095 535 F HA -0.138 4.389 4.527 -0.000 0.000 0.298 535 F C 2.541 178.310 175.800 -0.053 0.000 1.104 535 F CA 1.361 59.297 58.000 -0.106 0.000 1.232 535 F CB -0.911 37.909 39.000 -0.301 0.000 0.987 535 F HN 0.226 nan 8.300 nan 0.000 0.475 536 E N -1.125 119.013 120.200 -0.103 0.000 2.150 536 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 536 E C 2.022 178.674 176.600 0.086 0.000 0.985 536 E CA 1.118 57.465 56.400 -0.087 0.000 0.814 536 E CB -0.352 29.254 29.700 -0.156 0.000 0.752 536 E HN 0.630 nan 8.360 nan 0.000 0.466 537 H N -0.528 118.493 119.070 -0.081 0.000 2.436 537 H HA -0.013 4.543 4.556 -0.000 0.000 0.294 537 H C 2.172 177.425 175.328 -0.126 0.000 1.048 537 H CA 1.379 57.374 56.048 -0.088 0.000 1.353 537 H CB 0.412 30.140 29.762 -0.057 0.000 1.414 537 H HN 0.179 nan 8.280 nan 0.000 0.536 538 T N -1.796 112.788 114.554 0.050 0.000 3.044 538 T HA -0.021 4.329 4.350 -0.000 0.000 0.250 538 T C 0.450 174.846 174.700 -0.507 0.000 1.081 538 T CA -0.369 61.671 62.100 -0.101 0.000 1.040 538 T CB -0.508 68.400 68.868 0.067 0.000 0.962 538 T HN 0.061 nan 8.240 nan 0.000 0.506 539 F N 3.966 123.583 119.950 -0.555 0.000 2.538 539 F HA 0.304 4.831 4.527 -0.000 0.000 0.371 539 F C 0.303 175.428 175.800 -1.124 0.000 1.087 539 F CA 0.048 57.522 58.000 -0.876 0.000 1.250 539 F CB 0.253 38.912 39.000 -0.568 0.000 1.110 539 F HN 0.235 nan 8.300 nan 0.000 0.570 540 H N 4.150 122.392 119.070 -1.380 0.000 2.996 540 H HA 0.394 4.950 4.556 -0.000 0.000 0.368 540 H C -1.215 173.496 175.328 -1.029 0.000 1.185 540 H CA -0.857 54.570 56.048 -1.036 0.000 1.160 540 H CB 1.643 30.799 29.762 -1.010 0.000 1.820 540 H HN 0.310 nan 8.280 nan 0.000 0.547 541 V N 3.489 123.147 119.914 -0.426 0.000 2.394 541 V HA 0.282 4.402 4.120 -0.000 0.000 0.282 541 V C 0.705 176.757 176.094 -0.069 0.000 1.031 541 V CA -0.825 61.317 62.300 -0.263 0.000 0.881 541 V CB 1.134 32.857 31.823 -0.167 0.000 0.982 541 V HN 0.555 nan 8.190 nan 0.000 0.451 542 R N 3.051 123.554 120.500 0.006 0.000 2.679 542 R HA 0.220 4.560 4.340 -0.000 0.000 0.269 542 R C 0.862 177.152 176.300 -0.016 0.000 1.076 542 R CA -0.426 55.691 56.100 0.029 0.000 1.160 542 R CB 1.091 31.392 30.300 0.002 0.000 1.054 542 R HN 0.695 nan 8.270 nan 0.000 0.507 543 E N 0.996 121.182 120.200 -0.024 0.000 2.338 543 E HA -0.063 4.287 4.350 -0.000 0.000 0.197 543 E C 0.776 177.361 176.600 -0.026 0.000 1.007 543 E CA 0.405 56.789 56.400 -0.027 0.000 0.849 543 E CB -0.037 29.645 29.700 -0.029 0.000 0.774 543 E HN 0.706 nan 8.360 nan 0.000 0.506 544 G N 2.071 110.854 108.800 -0.029 0.000 2.138 544 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.256 544 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.256 544 G C 0.328 175.216 174.900 -0.019 0.000 1.141 544 G CA -0.071 45.014 45.100 -0.024 0.000 0.967 544 G HN 0.013 nan 8.290 nan 0.000 0.435 545 D N 1.457 121.848 120.400 -0.016 0.000 2.228 545 D HA -0.166 4.474 4.640 -0.000 0.000 0.203 545 D C 1.954 178.248 176.300 -0.010 0.000 0.988 545 D CA 1.039 55.032 54.000 -0.012 0.000 0.864 545 D CB 0.098 40.891 40.800 -0.010 0.000 0.928 545 D HN 0.700 nan 8.370 nan 0.000 0.469 546 E N -0.104 120.091 120.200 -0.009 0.000 2.472 546 E HA -0.132 4.218 4.350 -0.000 0.000 0.200 546 E C -0.180 176.415 176.600 -0.007 0.000 1.046 546 E CA 0.288 56.685 56.400 -0.006 0.000 0.871 546 E CB 0.073 29.771 29.700 -0.003 0.000 0.806 546 E HN 0.218 nan 8.360 nan 0.000 0.533 547 Q N 0.234 120.026 119.800 -0.013 0.000 2.451 547 Q HA -0.193 4.147 4.340 -0.000 0.000 0.334 547 Q C -0.915 175.071 176.000 -0.022 0.000 1.462 547 Q CA 0.777 56.569 55.803 -0.019 0.000 0.876 547 Q CB -1.528 27.203 28.738 -0.011 0.000 1.125 547 Q HN 0.362 nan 8.270 nan 0.000 0.358 548 R N 0.514 120.999 120.500 -0.026 0.000 2.357 548 R HA 0.477 4.817 4.340 -0.000 0.000 0.296 548 R C 0.878 177.143 176.300 -0.058 0.000 1.052 548 R CA 0.211 56.296 56.100 -0.025 0.000 0.988 548 R CB 0.900 31.192 30.300 -0.013 0.000 1.025 548 R HN 0.387 nan 8.270 nan 0.000 0.469 549 T N -0.409 114.082 114.554 -0.104 0.000 2.948 549 T HA 0.753 5.103 4.350 -0.000 0.000 0.285 549 T C -0.431 174.178 174.700 -0.151 0.000 1.019 549 T CA -0.778 61.136 62.100 -0.310 0.000 1.013 549 T CB 1.136 69.674 68.868 -0.549 0.000 1.117 549 T HN 0.508 nan 8.240 nan 0.000 0.533 550 F N -1.562 118.031 119.950 -0.594 0.000 2.719 550 F HA 0.748 5.275 4.527 -0.000 0.000 0.309 550 F C -2.301 173.107 175.800 -0.653 0.000 1.138 550 F CA -2.399 55.329 58.000 -0.454 0.000 0.943 550 F CB 0.780 39.629 39.000 -0.251 0.000 1.304 550 F HN 0.543 nan 8.300 nan 0.000 0.445 551 F N 1.494 121.218 119.950 -0.377 0.000 2.415 551 F HA 0.435 4.962 4.527 -0.000 0.000 0.348 551 F C 0.887 176.401 175.800 -0.477 0.000 1.119 551 F CA -0.769 56.793 58.000 -0.730 0.000 1.069 551 F CB 2.069 40.215 39.000 -1.423 0.000 1.124 551 F HN 0.665 nan 8.300 nan 0.000 0.472 552 S N 3.803 119.411 115.700 -0.154 0.000 3.456 552 S HA 0.264 4.734 4.470 -0.000 0.000 0.229 552 S C -0.221 174.441 174.600 0.103 0.000 1.416 552 S CA -0.567 57.692 58.200 0.099 0.000 1.197 552 S CB -1.463 61.860 63.200 0.205 0.000 1.201 552 S HN 0.443 nan 8.310 nan 0.000 0.479 553 F N 3.108 123.147 119.950 0.149 0.000 2.543 553 F HA 0.246 4.773 4.527 -0.000 0.000 0.375 553 F C -1.486 174.324 175.800 0.016 0.000 1.075 553 F CA -2.304 55.736 58.000 0.067 0.000 1.225 553 F CB 0.290 39.325 39.000 0.058 0.000 1.099 553 F HN 0.246 nan 8.300 nan 0.000 0.561 554 P HA -0.072 nan 4.420 nan 0.000 0.267 554 P C 0.121 177.476 177.300 0.092 0.000 1.200 554 P CA 0.105 63.266 63.100 0.102 0.000 0.772 554 P CB 0.789 32.522 31.700 0.054 0.000 0.855 555 A N 3.272 126.140 122.820 0.081 0.000 1.940 555 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 555 A C 2.168 179.810 177.584 0.096 0.000 1.176 555 A CA 1.962 54.061 52.037 0.105 0.000 0.631 555 A CB -1.528 17.590 19.000 0.197 0.000 0.814 555 A HN 0.456 nan 8.150 nan 0.000 0.446 556 V N 0.360 120.318 119.914 0.073 0.000 2.688 556 V HA -0.173 3.947 4.120 -0.000 0.000 0.256 556 V C 2.084 178.183 176.094 0.008 0.000 1.084 556 V CA 2.318 64.647 62.300 0.049 0.000 1.103 556 V CB -0.055 31.786 31.823 0.031 0.000 0.688 556 V HN 0.705 nan 8.190 nan 0.000 0.480 557 V N -2.413 117.483 119.914 -0.030 0.000 3.604 557 V HA 0.599 4.719 4.120 -0.000 0.000 0.277 557 V C 1.145 177.143 176.094 -0.159 0.000 1.399 557 V CA 0.130 62.361 62.300 -0.114 0.000 1.034 557 V CB -0.564 31.133 31.823 -0.210 0.000 0.824 557 V HN 0.409 nan 8.190 nan 0.000 0.439 558 A N 2.046 124.834 122.820 -0.054 0.000 2.565 558 A HA 0.348 4.668 4.320 -0.000 0.000 0.237 558 A C -0.620 176.940 177.584 -0.040 0.000 1.053 558 A CA -0.057 51.978 52.037 -0.004 0.000 0.755 558 A CB -0.348 18.711 19.000 0.099 0.000 0.980 558 A HN 0.381 nan 8.150 nan 0.000 0.506 559 P HA -0.114 nan 4.420 nan 0.000 0.218 559 P C -0.025 177.315 177.300 0.067 0.000 1.152 559 P CA 1.854 64.914 63.100 -0.067 0.000 0.857 559 P CB -0.146 31.465 31.700 -0.149 0.000 0.787 560 F N -6.138 113.863 119.950 0.086 0.000 2.693 560 F HA 0.507 5.034 4.527 -0.000 0.000 0.309 560 F C 0.769 176.655 175.800 0.143 0.000 1.129 560 F CA -1.344 56.714 58.000 0.097 0.000 0.948 560 F CB 0.740 39.786 39.000 0.076 0.000 1.315 560 F HN -0.511 nan 8.300 nan 0.000 0.447 561 K N 0.100 120.748 120.400 0.412 0.000 2.155 561 K HA 0.164 4.484 4.320 -0.000 0.000 0.203 561 K C -0.080 176.782 176.600 0.437 0.000 1.052 561 K CA 1.291 57.787 56.287 0.348 0.000 0.948 561 K CB 0.082 32.789 32.500 0.345 0.000 0.728 561 K HN 0.587 nan 8.250 nan 0.000 0.448 562 C N -0.620 119.016 119.300 0.560 0.000 2.985 562 C HA 0.486 4.946 4.460 -0.000 0.000 0.314 562 C C -1.234 174.082 174.990 0.543 0.000 1.215 562 C CA -0.746 58.574 59.018 0.504 0.000 1.414 562 C CB 1.892 29.856 27.740 0.374 0.000 1.842 562 C HN 0.213 nan 8.230 nan 0.000 0.477 563 S N 3.039 119.012 115.700 0.455 0.000 2.498 563 S HA 0.686 5.156 4.470 -0.000 0.000 0.317 563 S C -0.917 173.827 174.600 0.241 0.000 1.090 563 S CA -0.374 58.047 58.200 0.369 0.000 1.089 563 S CB 1.017 64.453 63.200 0.394 0.000 0.997 563 S HN 0.754 nan 8.310 nan 0.000 0.470 564 V N 6.664 126.670 119.914 0.154 0.000 2.408 564 V HA 0.353 4.473 4.120 -0.000 0.000 0.267 564 V C -0.315 175.804 176.094 0.042 0.000 1.047 564 V CA -0.549 61.812 62.300 0.102 0.000 0.937 564 V CB 0.893 32.770 31.823 0.090 0.000 0.999 564 V HN 0.706 nan 8.190 nan 0.000 0.472 565 L N 8.778 130.011 121.223 0.018 0.000 2.283 565 L HA 0.445 4.785 4.340 -0.000 0.000 0.281 565 L C -2.356 174.499 176.870 -0.026 0.000 1.033 565 L CA -1.574 53.223 54.840 -0.072 0.000 0.848 565 L CB 1.719 43.649 42.059 -0.215 0.000 1.226 565 L HN 0.443 nan 8.230 nan 0.000 0.429 566 P HA 0.185 nan 4.420 nan 0.000 0.297 566 P C 1.155 178.330 177.300 -0.207 0.000 1.342 566 P CA -0.545 62.532 63.100 -0.038 0.000 0.801 566 P CB 1.684 33.374 31.700 -0.016 0.000 0.920 567 L N 1.658 122.757 121.223 -0.207 0.000 2.089 567 L HA -0.169 4.171 4.340 -0.000 0.000 0.213 567 L C 1.215 177.778 176.870 -0.512 0.000 1.079 567 L CA 1.838 56.505 54.840 -0.288 0.000 0.758 567 L CB -0.101 41.842 42.059 -0.193 0.000 0.891 567 L HN 0.461 nan 8.230 nan 0.000 0.433 568 S N -2.681 112.366 115.700 -1.089 0.000 2.632 568 S HA 0.257 4.727 4.470 -0.000 0.000 0.289 568 S C 0.212 174.340 174.600 -0.787 0.000 1.115 568 S CA -0.784 56.876 58.200 -0.900 0.000 0.889 568 S CB 1.768 64.421 63.200 -0.911 0.000 1.116 568 S HN 0.092 nan 8.310 nan 0.000 0.486 569 Q N 1.350 120.919 119.800 -0.385 0.000 2.392 569 Q HA 0.091 4.431 4.340 -0.000 0.000 0.203 569 Q C -0.014 175.923 176.000 -0.105 0.000 0.917 569 Q CA -0.026 55.660 55.803 -0.195 0.000 0.939 569 Q CB -0.524 28.149 28.738 -0.108 0.000 1.063 569 Q HN 0.710 nan 8.270 nan 0.000 0.516 570 N N 2.800 121.421 118.700 -0.132 0.000 1.923 570 N HA -0.196 4.544 4.740 -0.000 0.000 0.305 570 N C 0.912 176.524 175.510 0.170 0.000 1.339 570 N CA 0.342 53.423 53.050 0.052 0.000 0.825 570 N CB 0.586 39.156 38.487 0.138 0.000 1.095 570 N HN 0.118 nan 8.380 nan 0.000 0.498 571 Q N 1.778 121.654 119.800 0.127 0.000 2.449 571 Q HA -0.160 4.180 4.340 -0.000 0.000 0.214 571 Q C 0.944 177.040 176.000 0.160 0.000 0.986 571 Q CA 1.480 57.356 55.803 0.122 0.000 0.893 571 Q CB -0.040 28.743 28.738 0.076 0.000 0.940 571 Q HN 0.609 nan 8.270 nan 0.000 0.477 572 E N -0.529 119.802 120.200 0.218 0.000 2.427 572 E HA -0.025 4.325 4.350 -0.000 0.000 0.196 572 E C 0.559 177.296 176.600 0.227 0.000 1.028 572 E CA 0.269 56.788 56.400 0.198 0.000 0.864 572 E CB 0.041 29.851 29.700 0.182 0.000 0.813 572 E HN 0.487 nan 8.360 nan 0.000 0.514 573 F N -0.368 119.633 119.950 0.084 0.000 2.416 573 F HA -0.060 4.467 4.527 -0.000 0.000 0.296 573 F C 2.080 177.962 175.800 0.137 0.000 1.099 573 F CA 0.407 58.460 58.000 0.089 0.000 1.427 573 F CB -0.125 38.847 39.000 -0.048 0.000 1.079 573 F HN 0.029 nan 8.300 nan 0.000 0.536 574 M N 0.691 120.437 119.600 0.242 0.000 2.065 574 M HA -0.129 4.351 4.480 -0.000 0.000 0.259 574 M C -0.446 175.895 176.300 0.069 0.000 1.069 574 M CA 1.728 57.106 55.300 0.131 0.000 1.110 574 M CB -2.230 30.418 32.600 0.079 0.000 1.328 574 M HN -0.134 nan 8.290 nan 0.000 0.405 575 P HA -0.190 nan 4.420 nan 0.000 0.216 575 P C 1.629 178.810 177.300 -0.199 0.000 1.154 575 P CA 1.724 64.730 63.100 -0.156 0.000 0.865 575 P CB -0.383 31.131 31.700 -0.309 0.000 0.789 576 F N -0.397 119.498 119.950 -0.091 0.000 2.146 576 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 576 F C 2.556 178.322 175.800 -0.057 0.000 1.096 576 F CA 1.044 58.978 58.000 -0.109 0.000 1.275 576 F CB -1.391 37.510 39.000 -0.165 0.000 1.008 576 F HN -0.279 nan 8.300 nan 0.000 0.480 577 V N 0.082 120.100 119.914 0.173 0.000 2.307 577 V HA -0.293 3.827 4.120 -0.000 0.000 0.245 577 V C 2.355 178.484 176.094 0.059 0.000 1.045 577 V CA 2.006 64.372 62.300 0.109 0.000 1.024 577 V CB -0.718 31.173 31.823 0.113 0.000 0.651 577 V HN 0.237 nan 8.190 nan 0.000 0.449 578 K N -0.060 120.364 120.400 0.039 0.000 2.001 578 K HA -0.267 4.053 4.320 -0.000 0.000 0.214 578 K C 2.359 178.959 176.600 0.000 0.000 1.050 578 K CA 1.975 58.272 56.287 0.018 0.000 0.934 578 K CB -0.242 32.256 32.500 -0.003 0.000 0.718 578 K HN 0.305 nan 8.250 nan 0.000 0.443 579 E N 0.810 120.992 120.200 -0.030 0.000 2.058 579 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 579 E C 2.036 178.616 176.600 -0.034 0.000 0.997 579 E CA 1.123 57.496 56.400 -0.044 0.000 0.801 579 E CB -0.378 29.269 29.700 -0.088 0.000 0.746 579 E HN 0.265 nan 8.360 nan 0.000 0.450 580 L N 0.689 121.898 121.223 -0.023 0.000 2.042 580 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 580 L C 2.511 179.311 176.870 -0.118 0.000 1.076 580 L CA 2.188 56.994 54.840 -0.056 0.000 0.749 580 L CB -1.014 41.030 42.059 -0.025 0.000 0.893 580 L HN 0.022 nan 8.230 nan 0.000 0.432 581 S N -1.035 114.625 115.700 -0.067 0.000 2.355 581 S HA -0.193 4.277 4.470 -0.000 0.000 0.222 581 S C 1.877 176.456 174.600 -0.035 0.000 1.031 581 S CA 1.435 59.596 58.200 -0.065 0.000 0.993 581 S CB -0.269 63.038 63.200 0.179 0.000 0.859 581 S HN 0.617 nan 8.310 nan 0.000 0.453 582 E N 0.833 121.041 120.200 0.013 0.000 2.058 582 E HA -0.137 4.213 4.350 -0.000 0.000 0.194 582 E C 2.429 179.039 176.600 0.017 0.000 0.997 582 E CA 1.078 57.496 56.400 0.029 0.000 0.801 582 E CB -0.372 29.339 29.700 0.018 0.000 0.746 582 E HN 0.606 nan 8.360 nan 0.000 0.450 583 A N 1.464 124.276 122.820 -0.014 0.000 1.873 583 A HA -0.220 4.100 4.320 -0.000 0.000 0.218 583 A C 2.253 179.840 177.584 0.005 0.000 1.193 583 A CA 1.404 53.446 52.037 0.009 0.000 0.629 583 A CB -0.890 18.073 19.000 -0.061 0.000 0.826 583 A HN 0.150 nan 8.150 nan 0.000 0.447 584 L N -1.109 120.022 121.223 -0.152 0.000 2.042 584 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 584 L C 2.863 179.733 176.870 0.000 0.000 1.076 584 L CA 1.892 56.617 54.840 -0.190 0.000 0.749 584 L CB -0.928 40.802 42.059 -0.548 0.000 0.893 584 L HN 0.384 nan 8.230 nan 0.000 0.432 585 T N -0.904 113.678 114.554 0.046 0.000 2.684 585 T HA -0.267 4.083 4.350 -0.000 0.000 0.267 585 T C 2.023 176.794 174.700 0.118 0.000 1.036 585 T CA 1.586 63.778 62.100 0.154 0.000 1.148 585 T CB -0.193 68.776 68.868 0.169 0.000 0.863 585 T HN 0.245 nan 8.240 nan 0.000 0.436 586 R N -0.016 120.550 120.500 0.110 0.000 2.159 586 R HA -0.084 4.256 4.340 -0.000 0.000 0.237 586 R C 1.766 178.101 176.300 0.058 0.000 1.131 586 R CA 1.354 57.505 56.100 0.085 0.000 0.982 586 R CB -0.158 30.198 30.300 0.094 0.000 0.868 586 R HN 0.573 nan 8.270 nan 0.000 0.453 587 H N -1.383 117.692 119.070 0.009 0.000 2.529 587 H HA 0.122 4.678 4.556 -0.000 0.000 0.277 587 H C 0.663 176.012 175.328 0.034 0.000 1.004 587 H CA 0.427 56.483 56.048 0.014 0.000 1.167 587 H CB 0.814 30.574 29.762 -0.003 0.000 1.445 587 H HN 0.519 nan 8.280 nan 0.000 0.554 588 G N 1.607 110.490 108.800 0.139 0.000 2.249 588 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.273 588 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.273 588 G C 0.135 175.124 174.900 0.148 0.000 1.036 588 G CA 0.430 45.603 45.100 0.122 0.000 0.824 588 G HN 0.225 nan 8.290 nan 0.000 0.504 589 V N 1.905 121.919 119.914 0.168 0.000 2.304 589 V HA 0.495 4.615 4.120 -0.000 0.000 0.269 589 V C 1.083 177.344 176.094 0.278 0.000 1.036 589 V CA -0.193 62.216 62.300 0.182 0.000 0.840 589 V CB 1.046 32.941 31.823 0.119 0.000 1.036 589 V HN 0.852 nan 8.190 nan 0.000 0.466 590 S N 5.627 121.491 115.700 0.274 0.000 2.558 590 S HA 0.346 4.816 4.470 -0.000 0.000 0.288 590 S C -0.181 174.643 174.600 0.373 0.000 1.318 590 S CA -0.245 58.126 58.200 0.284 0.000 1.056 590 S CB 0.338 63.675 63.200 0.228 0.000 0.853 590 S HN 1.009 nan 8.310 nan 0.000 0.505 591 H N -0.516 118.567 119.070 0.021 0.000 3.037 591 H HA 0.613 5.168 4.556 -0.000 0.000 0.336 591 H C -1.737 173.329 175.328 -0.437 0.000 1.323 591 H CA -1.073 54.919 56.048 -0.092 0.000 1.159 591 H CB 1.207 30.974 29.762 0.008 0.000 1.882 591 H HN 0.765 nan 8.280 nan 0.000 0.535 592 K N 1.743 121.762 120.400 -0.636 0.000 2.507 592 K HA 0.426 4.746 4.320 -0.000 0.000 0.251 592 K C -1.352 175.119 176.600 -0.216 0.000 0.943 592 K CA -0.725 55.190 56.287 -0.620 0.000 0.794 592 K CB 2.432 34.303 32.500 -1.048 0.000 1.188 592 K HN 0.400 nan 8.250 nan 0.000 0.428 593 V N 3.730 123.577 119.914 -0.112 0.000 2.470 593 V HA 0.028 4.148 4.120 -0.000 0.000 0.276 593 V C 0.155 176.224 176.094 -0.042 0.000 1.040 593 V CA -0.257 62.029 62.300 -0.023 0.000 1.008 593 V CB 0.892 32.717 31.823 0.003 0.000 0.990 593 V HN 0.753 nan 8.190 nan 0.000 0.477 594 D N 3.973 124.356 120.400 -0.028 0.000 2.343 594 D HA 0.102 4.742 4.640 -0.000 0.000 0.255 594 D C -0.100 176.170 176.300 -0.049 0.000 1.187 594 D CA -0.119 53.860 54.000 -0.036 0.000 0.875 594 D CB 1.200 41.965 40.800 -0.058 0.000 1.136 594 D HN 0.530 nan 8.370 nan 0.000 0.469 595 D N 2.047 122.423 120.400 -0.040 0.000 2.670 595 D HA 0.029 4.669 4.640 -0.000 0.000 0.255 595 D C 0.087 176.365 176.300 -0.037 0.000 1.286 595 D CA -0.145 53.829 54.000 -0.043 0.000 0.830 595 D CB 0.476 41.255 40.800 -0.035 0.000 1.065 595 D HN 0.122 nan 8.370 nan 0.000 0.486 596 S N 0.186 115.863 115.700 -0.038 0.000 2.646 596 S HA 0.431 4.901 4.470 -0.000 0.000 0.276 596 S C 0.557 175.136 174.600 -0.036 0.000 1.222 596 S CA -0.483 57.700 58.200 -0.028 0.000 1.014 596 S CB 0.908 64.097 63.200 -0.019 0.000 0.991 596 S HN 0.218 nan 8.310 nan 0.000 0.533 597 S N 2.169 117.855 115.700 -0.024 0.000 2.645 597 S HA 0.831 5.301 4.470 -0.000 0.000 0.266 597 S C 0.602 175.190 174.600 -0.020 0.000 1.258 597 S CA 0.033 58.219 58.200 -0.023 0.000 0.990 597 S CB 0.382 63.574 63.200 -0.014 0.000 0.967 597 S HN 1.884 nan 8.310 nan 0.000 0.556 598 G N 0.439 109.229 108.800 -0.016 0.000 2.663 598 G HA2 0.134 4.094 3.960 -0.000 0.000 0.686 598 G HA3 0.134 4.094 3.960 -0.000 0.000 0.686 598 G C -0.227 174.667 174.900 -0.011 0.000 1.288 598 G CA -0.459 44.636 45.100 -0.008 0.000 0.836 598 G HN 1.987 nan 8.290 nan 0.000 0.584 599 S N -0.357 115.345 115.700 0.003 0.000 2.573 599 S HA 0.345 4.815 4.470 -0.000 0.000 0.277 599 S C 1.811 176.416 174.600 0.008 0.000 1.346 599 S CA 0.499 58.708 58.200 0.014 0.000 1.034 599 S CB 1.211 64.429 63.200 0.029 0.000 0.879 599 S HN 1.989 nan 8.310 nan 0.000 0.528 600 I N 3.379 123.961 120.570 0.020 0.000 2.147 600 I HA -0.143 4.027 4.170 -0.000 0.000 0.245 600 I C 2.174 178.346 176.117 0.091 0.000 1.059 600 I CA 2.426 63.742 61.300 0.026 0.000 1.320 600 I CB -1.235 36.824 38.000 0.099 0.000 1.021 600 I HN 0.932 nan 8.210 nan 0.000 0.415 601 G N -0.561 108.309 108.800 0.117 0.000 2.404 601 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.215 601 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.215 601 G C 1.928 176.891 174.900 0.106 0.000 1.174 601 G CA 0.786 45.970 45.100 0.139 0.000 0.780 601 G HN 0.402 nan 8.290 nan 0.000 0.537 602 R N 0.038 120.572 120.500 0.056 0.000 2.115 602 R HA 0.057 4.397 4.340 -0.000 0.000 0.230 602 R C 2.819 179.137 176.300 0.030 0.000 1.111 602 R CA 0.641 56.765 56.100 0.039 0.000 0.976 602 R CB -0.119 30.195 30.300 0.023 0.000 0.870 602 R HN 0.249 nan 8.270 nan 0.000 0.445 603 R N -0.918 119.576 120.500 -0.010 0.000 2.073 603 R HA -0.161 4.179 4.340 -0.000 0.000 0.234 603 R C 2.023 178.290 176.300 -0.054 0.000 1.134 603 R CA 1.503 57.561 56.100 -0.070 0.000 0.952 603 R CB -0.436 29.761 30.300 -0.171 0.000 0.850 603 R HN 0.279 nan 8.270 nan 0.000 0.433 604 Y N 0.897 121.214 120.300 0.028 0.000 2.224 604 Y HA -0.155 4.394 4.550 -0.000 0.000 0.289 604 Y C 2.561 178.463 175.900 0.003 0.000 1.146 604 Y CA 0.859 58.970 58.100 0.018 0.000 1.182 604 Y CB -0.773 37.687 38.460 -0.000 0.000 0.983 604 Y HN 0.119 nan 8.280 nan 0.000 0.524 605 A N 0.424 123.332 122.820 0.146 0.000 1.903 605 A HA -0.325 3.995 4.320 -0.000 0.000 0.219 605 A C 2.317 179.952 177.584 0.085 0.000 1.191 605 A CA 2.449 54.533 52.037 0.079 0.000 0.638 605 A CB -0.736 18.296 19.000 0.053 0.000 0.823 605 A HN 0.446 nan 8.150 nan 0.000 0.451 606 R N -1.539 119.012 120.500 0.086 0.000 2.070 606 R HA -0.082 4.258 4.340 -0.000 0.000 0.233 606 R C 2.451 178.824 176.300 0.123 0.000 1.137 606 R CA 1.800 57.958 56.100 0.096 0.000 0.945 606 R CB -0.992 29.355 30.300 0.077 0.000 0.845 606 R HN 0.534 nan 8.270 nan 0.000 0.430 607 T N 1.160 115.792 114.554 0.131 0.000 2.620 607 T HA -0.206 4.144 4.350 -0.000 0.000 0.267 607 T C 1.165 175.942 174.700 0.129 0.000 1.044 607 T CA 2.119 64.309 62.100 0.150 0.000 1.161 607 T CB -0.427 68.576 68.868 0.225 0.000 0.862 607 T HN 0.293 nan 8.240 nan 0.000 0.438 608 D N 0.387 120.858 120.400 0.119 0.000 2.144 608 D HA -0.082 4.557 4.640 -0.000 0.000 0.199 608 D C 2.062 178.463 176.300 0.169 0.000 0.984 608 D CA 0.965 55.021 54.000 0.094 0.000 0.834 608 D CB -0.463 40.335 40.800 -0.003 0.000 0.955 608 D HN 0.568 nan 8.370 nan 0.000 0.465 609 E N 0.437 120.731 120.200 0.157 0.000 2.160 609 E HA -0.162 4.188 4.350 -0.000 0.000 0.195 609 E C 1.884 178.708 176.600 0.374 0.000 0.991 609 E CA 0.887 57.394 56.400 0.179 0.000 0.810 609 E CB -0.068 29.726 29.700 0.157 0.000 0.742 609 E HN 0.484 nan 8.360 nan 0.000 0.466 610 I N -4.132 116.665 120.570 0.379 0.000 3.904 610 I HA 0.447 4.617 4.170 -0.000 0.000 0.333 610 I C 0.960 177.384 176.117 0.513 0.000 1.361 610 I CA 0.276 61.906 61.300 0.550 0.000 1.116 610 I CB 0.646 38.798 38.000 0.252 0.000 1.028 610 I HN 0.105 nan 8.210 nan 0.000 0.398 611 G N 1.701 110.714 108.800 0.355 0.000 2.182 611 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.248 611 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.248 611 G C 0.042 175.055 174.900 0.187 0.000 1.042 611 G CA 0.110 45.370 45.100 0.267 0.000 0.775 611 G HN 0.312 nan 8.290 nan 0.000 0.501 612 V N 0.460 120.386 119.914 0.019 0.000 2.479 612 V HA 0.426 4.546 4.120 -0.000 0.000 0.281 612 V C 1.856 177.903 176.094 -0.078 0.000 1.031 612 V CA 0.729 62.962 62.300 -0.111 0.000 1.038 612 V CB 0.817 32.534 31.823 -0.176 0.000 0.981 612 V HN 0.897 nan 8.190 nan 0.000 0.478 613 A N 4.913 127.650 122.820 -0.139 0.000 1.933 613 A HA 0.057 4.377 4.320 -0.000 0.000 0.218 613 A C 0.630 177.721 177.584 -0.822 0.000 1.175 613 A CA 1.558 53.296 52.037 -0.500 0.000 0.628 613 A CB -0.150 18.491 19.000 -0.597 0.000 0.814 613 A HN 0.618 nan 8.150 nan 0.000 0.444 614 F N -3.091 116.898 119.950 0.065 0.000 2.675 614 F HA 0.657 5.184 4.527 -0.000 0.000 0.324 614 F C 0.398 176.272 175.800 0.125 0.000 1.106 614 F CA -0.589 57.439 58.000 0.046 0.000 0.970 614 F CB 1.401 40.450 39.000 0.082 0.000 1.385 614 F HN 0.129 nan 8.300 nan 0.000 0.489 615 G N -0.211 108.793 108.800 0.341 0.000 2.718 615 G HA2 0.597 4.557 3.960 -0.000 0.000 0.295 615 G HA3 0.597 4.557 3.960 -0.000 0.000 0.295 615 G C -2.517 172.554 174.900 0.285 0.000 1.421 615 G CA -0.785 44.545 45.100 0.384 0.000 0.902 615 G HN 0.498 nan 8.290 nan 0.000 0.501 616 V N 1.404 121.485 119.914 0.279 0.000 2.419 616 V HA 0.398 4.518 4.120 -0.000 0.000 0.287 616 V C 0.046 176.240 176.094 0.165 0.000 1.017 616 V CA -0.700 61.699 62.300 0.164 0.000 0.844 616 V CB 1.367 33.236 31.823 0.077 0.000 1.011 616 V HN 0.811 nan 8.190 nan 0.000 0.429 617 T N 6.372 121.031 114.554 0.175 0.000 2.832 617 T HA 0.573 4.923 4.350 -0.000 0.000 0.296 617 T C -0.007 174.716 174.700 0.038 0.000 0.968 617 T CA 0.129 62.306 62.100 0.128 0.000 1.107 617 T CB 0.688 69.660 68.868 0.174 0.000 0.916 617 T HN 0.392 nan 8.240 nan 0.000 0.517 618 I N 4.408 125.002 120.570 0.040 0.000 2.330 618 I HA 0.333 4.503 4.170 -0.000 0.000 0.289 618 I C -0.189 175.975 176.117 0.079 0.000 1.001 618 I CA -0.819 60.486 61.300 0.008 0.000 1.193 618 I CB 1.149 39.173 38.000 0.041 0.000 1.345 618 I HN 0.701 nan 8.210 nan 0.000 0.461 619 D N 4.210 124.598 120.400 -0.020 0.000 2.553 619 D HA 0.326 4.966 4.640 -0.000 0.000 0.249 619 D C 0.553 176.782 176.300 -0.118 0.000 1.062 619 D CA -0.716 53.304 54.000 0.033 0.000 1.085 619 D CB 0.585 41.447 40.800 0.103 0.000 1.350 619 D HN 0.248 nan 8.370 nan 0.000 0.575 620 F N -0.075 119.929 119.950 0.089 0.000 2.161 620 F HA -0.091 4.436 4.527 0.000 0.000 0.300 620 F C 1.789 177.518 175.800 -0.117 0.000 1.089 620 F CA 1.239 59.221 58.000 -0.030 0.000 1.282 620 F CB -0.286 38.763 39.000 0.082 0.000 1.010 620 F HN 0.254 nan 8.300 nan 0.000 0.485 621 D N -0.472 119.999 120.400 0.118 0.000 2.178 621 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 621 D C 2.245 178.501 176.300 -0.074 0.000 0.980 621 D CA 1.602 55.621 54.000 0.031 0.000 0.842 621 D CB -0.589 40.247 40.800 0.059 0.000 0.948 621 D HN 0.190 nan 8.370 nan 0.000 0.472 622 T N -0.220 114.230 114.554 -0.174 0.000 2.708 622 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 622 T C 2.189 176.619 174.700 -0.449 0.000 1.037 622 T CA 0.878 62.806 62.100 -0.287 0.000 1.146 622 T CB -0.371 68.265 68.868 -0.387 0.000 0.865 622 T HN -0.006 nan 8.240 nan 0.000 0.435 623 V N 2.169 121.657 119.914 -0.711 0.000 2.548 623 V HA -0.072 4.048 4.120 -0.000 0.000 0.249 623 V C 2.157 178.165 176.094 -0.143 0.000 1.055 623 V CA 1.291 63.047 62.300 -0.908 0.000 1.065 623 V CB -0.435 30.799 31.823 -0.981 0.000 0.681 623 V HN 0.486 nan 8.190 nan 0.000 0.462 624 N N -0.987 117.693 118.700 -0.034 0.000 2.571 624 N HA 0.068 4.808 4.740 -0.000 0.000 0.195 624 N C 0.640 176.171 175.510 0.035 0.000 1.040 624 N CA 0.178 53.268 53.050 0.067 0.000 0.890 624 N CB 0.309 38.837 38.487 0.069 0.000 1.233 624 N HN 0.326 nan 8.380 nan 0.000 0.435 625 K N 1.497 121.883 120.400 -0.023 0.000 2.295 625 K HA 0.148 4.468 4.320 -0.000 0.000 0.270 625 K C -0.048 176.394 176.600 -0.264 0.000 1.011 625 K CA 0.182 56.418 56.287 -0.085 0.000 0.953 625 K CB 1.126 33.595 32.500 -0.052 0.000 0.956 625 K HN -0.081 nan 8.250 nan 0.000 0.477 626 T N 3.305 117.704 114.554 -0.257 0.000 2.812 626 T HA 0.439 4.789 4.350 -0.000 0.000 0.282 626 T C -2.296 172.297 174.700 -0.177 0.000 0.990 626 T CA -1.643 60.239 62.100 -0.364 0.000 0.960 626 T CB 0.816 69.515 68.868 -0.282 0.000 0.948 626 T HN 0.295 nan 8.240 nan 0.000 0.438 627 P HA 0.351 nan 4.420 nan 0.000 0.274 627 P C -0.741 176.429 177.300 -0.217 0.000 1.237 627 P CA -0.519 62.476 63.100 -0.176 0.000 0.793 627 P CB 0.356 32.026 31.700 -0.049 0.000 0.977 628 H N 0.437 119.523 119.070 0.026 0.000 2.864 628 H HA 0.283 4.839 4.556 -0.000 0.000 0.281 628 H C 0.478 175.785 175.328 -0.035 0.000 1.093 628 H CA 0.109 56.155 56.048 -0.004 0.000 1.453 628 H CB 0.134 29.971 29.762 0.125 0.000 1.462 628 H HN 0.460 nan 8.280 nan 0.000 0.480 629 T N 0.427 114.980 114.554 -0.001 0.000 2.924 629 T HA 0.806 5.156 4.350 -0.000 0.000 0.291 629 T C -0.151 174.477 174.700 -0.119 0.000 1.045 629 T CA -0.920 61.147 62.100 -0.055 0.000 1.015 629 T CB 2.428 71.256 68.868 -0.068 0.000 1.103 629 T HN 0.614 nan 8.240 nan 0.000 0.496 630 A N 1.056 123.790 122.820 -0.144 0.000 2.485 630 A HA 0.817 5.137 4.320 -0.000 0.000 0.292 630 A C -0.084 177.363 177.584 -0.228 0.000 1.147 630 A CA -0.971 50.963 52.037 -0.172 0.000 0.750 630 A CB 1.286 20.222 19.000 -0.107 0.000 1.331 630 A HN 0.870 nan 8.150 nan 0.000 0.419 631 T N 1.323 115.742 114.554 -0.226 0.000 2.767 631 T HA 0.464 4.814 4.350 -0.000 0.000 0.288 631 T C -0.621 174.054 174.700 -0.042 0.000 0.963 631 T CA 0.002 61.968 62.100 -0.222 0.000 1.019 631 T CB 0.546 69.271 68.868 -0.238 0.000 0.923 631 T HN 0.508 nan 8.240 nan 0.000 0.468 632 L N 4.267 125.492 121.223 0.004 0.000 2.282 632 L HA 0.570 4.910 4.340 -0.000 0.000 0.288 632 L C 0.021 177.040 176.870 0.248 0.000 1.033 632 L CA -0.447 54.462 54.840 0.116 0.000 0.807 632 L CB 0.841 42.952 42.059 0.087 0.000 1.209 632 L HN 0.537 nan 8.230 nan 0.000 0.423 633 R N 3.293 123.874 120.500 0.135 0.000 2.393 633 R HA 0.328 4.668 4.340 -0.000 0.000 0.315 633 R C -1.238 174.947 176.300 -0.192 0.000 0.952 633 R CA -0.658 55.405 56.100 -0.061 0.000 0.842 633 R CB 1.091 31.164 30.300 -0.378 0.000 1.163 633 R HN 0.749 nan 8.270 nan 0.000 0.450 634 D N 2.949 122.986 120.400 -0.605 0.000 2.312 634 D HA 0.053 4.692 4.640 -0.000 0.000 0.252 634 D C 1.211 177.155 176.300 -0.593 0.000 1.150 634 D CA -0.159 53.345 54.000 -0.828 0.000 0.870 634 D CB 1.202 40.883 40.800 -1.864 0.000 1.153 634 D HN 0.572 nan 8.370 nan 0.000 0.457 635 R N 3.192 123.393 120.500 -0.499 0.000 2.097 635 R HA -0.198 4.142 4.340 -0.000 0.000 0.236 635 R C 0.624 176.598 176.300 -0.544 0.000 1.135 635 R CA 1.825 57.652 56.100 -0.455 0.000 0.934 635 R CB -0.092 29.989 30.300 -0.366 0.000 0.846 635 R HN 0.535 nan 8.270 nan 0.000 0.431 636 D N -0.011 120.108 120.400 -0.468 0.000 2.078 636 D HA -0.133 4.507 4.640 -0.000 0.000 0.193 636 D C 2.026 178.072 176.300 -0.424 0.000 0.990 636 D CA 2.130 55.887 54.000 -0.406 0.000 0.827 636 D CB -0.347 40.327 40.800 -0.210 0.000 0.975 636 D HN 0.392 nan 8.370 nan 0.000 0.451 637 S N -0.333 115.126 115.700 -0.401 0.000 2.453 637 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 637 S C 1.415 175.830 174.600 -0.307 0.000 1.005 637 S CA 0.782 58.793 58.200 -0.315 0.000 0.949 637 S CB -0.199 62.818 63.200 -0.304 0.000 0.774 637 S HN 0.337 nan 8.310 nan 0.000 0.510 638 M N -0.802 118.563 119.600 -0.391 0.000 2.908 638 M HA -0.198 4.282 4.480 -0.000 0.000 0.191 638 M C 0.169 176.341 176.300 -0.213 0.000 0.619 638 M CA 0.745 55.852 55.300 -0.321 0.000 0.709 638 M CB -1.467 30.976 32.600 -0.262 0.000 2.554 638 M HN 0.401 nan 8.290 nan 0.000 0.356 639 R N 0.695 121.077 120.500 -0.197 0.000 2.637 639 R HA 0.526 4.866 4.340 -0.000 0.000 0.269 639 R C 0.174 176.593 176.300 0.197 0.000 1.089 639 R CA 0.011 56.144 56.100 0.055 0.000 1.177 639 R CB 0.715 31.177 30.300 0.270 0.000 1.091 639 R HN 0.302 nan 8.270 nan 0.000 0.540 640 Q N 0.272 120.291 119.800 0.365 0.000 2.456 640 Q HA 0.529 4.869 4.340 -0.000 0.000 0.283 640 Q C -1.351 174.875 176.000 0.377 0.000 1.084 640 Q CA -0.915 55.126 55.803 0.397 0.000 0.801 640 Q CB 2.542 31.451 28.738 0.285 0.000 1.434 640 Q HN 0.293 nan 8.270 nan 0.000 0.419 641 I N 0.221 120.951 120.570 0.266 0.000 3.095 641 I HA 0.489 4.659 4.170 -0.000 0.000 0.310 641 I C -1.734 174.387 176.117 0.008 0.000 1.196 641 I CA -0.559 60.804 61.300 0.105 0.000 0.985 641 I CB 2.443 40.382 38.000 -0.101 0.000 1.250 641 I HN 0.488 nan 8.210 nan 0.000 0.446 642 R N 3.093 123.583 120.500 -0.017 0.000 2.502 642 R HA 0.921 5.261 4.340 -0.000 0.000 0.300 642 R C -1.856 174.392 176.300 -0.086 0.000 0.984 642 R CA -0.291 55.729 56.100 -0.133 0.000 0.882 642 R CB 1.588 31.808 30.300 -0.134 0.000 1.180 642 R HN 0.767 nan 8.270 nan 0.000 0.444 643 A N 2.808 125.529 122.820 -0.164 0.000 2.556 643 A HA 0.444 4.764 4.320 -0.000 0.000 0.294 643 A C -1.198 176.317 177.584 -0.115 0.000 1.091 643 A CA -0.814 51.127 52.037 -0.159 0.000 0.704 643 A CB 1.294 19.984 19.000 -0.516 0.000 1.300 643 A HN 0.772 nan 8.150 nan 0.000 0.406 644 E N 0.836 121.009 120.200 -0.044 0.000 2.480 644 E HA 0.045 4.395 4.350 -0.000 0.000 0.258 644 E C 0.770 177.349 176.600 -0.035 0.000 0.984 644 E CA 0.014 56.407 56.400 -0.012 0.000 0.930 644 E CB 0.332 30.049 29.700 0.027 0.000 0.936 644 E HN 0.560 nan 8.360 nan 0.000 0.466 645 I N 3.794 124.362 120.570 -0.004 0.000 2.530 645 I HA -0.309 3.861 4.170 -0.000 0.000 0.257 645 I C 1.891 177.997 176.117 -0.019 0.000 1.179 645 I CA 1.653 62.946 61.300 -0.010 0.000 1.440 645 I CB -0.001 38.030 38.000 0.051 0.000 1.087 645 I HN 0.624 nan 8.210 nan 0.000 0.440 646 S N -0.106 115.596 115.700 0.004 0.000 2.383 646 S HA -0.187 4.283 4.470 -0.000 0.000 0.227 646 S C 1.726 176.302 174.600 -0.040 0.000 1.026 646 S CA 1.179 59.374 58.200 -0.009 0.000 0.981 646 S CB -0.512 62.699 63.200 0.019 0.000 0.818 646 S HN 0.594 nan 8.310 nan 0.000 0.472 647 E N 1.199 121.372 120.200 -0.045 0.000 2.216 647 E HA 0.113 4.463 4.350 -0.000 0.000 0.192 647 E C 1.977 178.493 176.600 -0.140 0.000 0.988 647 E CA 0.536 56.899 56.400 -0.061 0.000 0.834 647 E CB -0.326 29.358 29.700 -0.027 0.000 0.772 647 E HN 0.460 nan 8.360 nan 0.000 0.479 648 L N 0.948 122.068 121.223 -0.171 0.000 2.046 648 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 648 L C -0.657 176.068 176.870 -0.242 0.000 1.077 648 L CA 1.318 56.030 54.840 -0.214 0.000 0.747 648 L CB -1.219 40.734 42.059 -0.177 0.000 0.896 648 L HN 0.102 nan 8.230 nan 0.000 0.432 649 P HA -0.171 nan 4.420 nan 0.000 0.216 649 P C 1.706 178.681 177.300 -0.542 0.000 1.157 649 P CA 1.699 64.514 63.100 -0.476 0.000 0.880 649 P CB 0.012 31.318 31.700 -0.657 0.000 0.791 650 S N -0.602 114.840 115.700 -0.430 0.000 2.359 650 S HA -0.170 4.300 4.470 -0.000 0.000 0.224 650 S C 1.948 176.505 174.600 -0.071 0.000 1.035 650 S CA 1.280 59.421 58.200 -0.098 0.000 1.018 650 S CB -1.287 61.932 63.200 0.033 0.000 0.876 650 S HN 0.102 nan 8.310 nan 0.000 0.448 651 I N 1.298 121.790 120.570 -0.130 0.000 2.127 651 I HA -0.177 3.993 4.170 -0.000 0.000 0.241 651 I C 2.271 178.282 176.117 -0.175 0.000 1.075 651 I CA 1.054 62.268 61.300 -0.142 0.000 1.334 651 I CB -0.517 37.332 38.000 -0.251 0.000 1.040 651 I HN 0.136 nan 8.210 nan 0.000 0.405 652 V N 0.247 120.023 119.914 -0.231 0.000 2.343 652 V HA -0.340 3.780 4.120 -0.000 0.000 0.247 652 V C 2.440 178.425 176.094 -0.182 0.000 1.051 652 V CA 2.096 64.207 62.300 -0.314 0.000 1.036 652 V CB -0.840 30.831 31.823 -0.252 0.000 0.654 652 V HN 0.523 nan 8.190 nan 0.000 0.451 653 Q N -0.042 119.716 119.800 -0.069 0.000 2.045 653 Q HA -0.299 4.041 4.340 -0.000 0.000 0.206 653 Q C 1.994 178.021 176.000 0.045 0.000 0.991 653 Q CA 2.391 58.219 55.803 0.041 0.000 0.851 653 Q CB -0.184 28.639 28.738 0.141 0.000 0.911 653 Q HN 0.624 nan 8.270 nan 0.000 0.418 654 D N 0.182 120.596 120.400 0.023 0.000 2.144 654 D HA -0.128 4.512 4.640 -0.000 0.000 0.199 654 D C 2.028 178.356 176.300 0.047 0.000 0.984 654 D CA 0.837 54.860 54.000 0.039 0.000 0.834 654 D CB -0.167 40.652 40.800 0.033 0.000 0.955 654 D HN 0.306 nan 8.370 nan 0.000 0.465 655 L N 0.657 121.876 121.223 -0.008 0.000 1.994 655 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 655 L C 2.502 179.499 176.870 0.212 0.000 1.071 655 L CA 1.373 56.243 54.840 0.050 0.000 0.745 655 L CB -0.388 41.528 42.059 -0.239 0.000 0.892 655 L HN -0.013 nan 8.230 nan 0.000 0.431 656 A N -0.243 122.700 122.820 0.204 0.000 1.969 656 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 656 A C 1.829 179.529 177.584 0.194 0.000 1.169 656 A CA 1.673 53.900 52.037 0.317 0.000 0.635 656 A CB -0.692 18.495 19.000 0.312 0.000 0.810 656 A HN 0.570 nan 8.150 nan 0.000 0.445 657 N N -0.966 117.817 118.700 0.138 0.000 2.398 657 N HA 0.230 4.970 4.740 -0.000 0.000 0.188 657 N C 0.918 176.488 175.510 0.099 0.000 1.122 657 N CA 0.305 53.419 53.050 0.107 0.000 0.866 657 N CB 0.131 38.670 38.487 0.086 0.000 0.970 657 N HN 0.576 nan 8.380 nan 0.000 0.462 658 G N 1.532 110.403 108.800 0.117 0.000 2.153 658 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.252 658 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.252 658 G C 0.751 175.703 174.900 0.085 0.000 0.994 658 G CA 0.193 45.358 45.100 0.108 0.000 0.698 658 G HN 0.347 nan 8.290 nan 0.000 0.521 659 N N -0.661 118.085 118.700 0.077 0.000 2.331 659 N HA 0.097 4.837 4.740 -0.000 0.000 0.180 659 N C 0.627 176.174 175.510 0.060 0.000 1.019 659 N CA 1.051 54.137 53.050 0.061 0.000 0.881 659 N CB 0.312 38.830 38.487 0.053 0.000 0.972 659 N HN 0.536 nan 8.380 nan 0.000 0.435 660 I N -0.196 120.418 120.570 0.073 0.000 2.686 660 I HA 0.140 4.310 4.170 -0.000 0.000 0.295 660 I C -0.241 175.942 176.117 0.109 0.000 1.114 660 I CA -0.416 60.927 61.300 0.072 0.000 1.038 660 I CB 2.216 40.248 38.000 0.053 0.000 1.238 660 I HN -0.248 nan 8.210 nan 0.000 0.420 661 T N 4.272 118.890 114.554 0.107 0.000 2.899 661 T HA 0.025 4.375 4.350 -0.000 0.000 0.284 661 T C 0.913 175.736 174.700 0.204 0.000 1.004 661 T CA -0.150 62.047 62.100 0.161 0.000 1.043 661 T CB 0.940 69.884 68.868 0.126 0.000 1.013 661 T HN 0.656 nan 8.240 nan 0.000 0.518 662 W N 1.399 122.754 121.300 0.092 0.000 2.335 662 W HA -0.215 4.445 4.660 -0.000 0.000 0.311 662 W C 2.197 178.757 176.519 0.068 0.000 1.213 662 W CA 1.575 58.973 57.345 0.089 0.000 1.274 662 W CB -0.510 29.009 29.460 0.098 0.000 1.148 662 W HN 0.863 nan 8.180 nan 0.000 0.498 663 A N 1.039 123.951 122.820 0.154 0.000 1.896 663 A HA -0.330 3.990 4.320 -0.000 0.000 0.220 663 A C 1.736 179.288 177.584 -0.055 0.000 1.206 663 A CA 2.477 54.536 52.037 0.036 0.000 0.647 663 A CB -1.372 17.674 19.000 0.077 0.000 0.828 663 A HN 0.342 nan 8.150 nan 0.000 0.455 664 D N -0.401 119.986 120.400 -0.022 0.000 2.106 664 D HA -0.141 4.499 4.640 -0.000 0.000 0.191 664 D C 2.144 178.390 176.300 -0.090 0.000 0.997 664 D CA 1.818 55.795 54.000 -0.039 0.000 0.834 664 D CB -0.562 40.238 40.800 0.000 0.000 0.956 664 D HN 0.245 nan 8.370 nan 0.000 0.448 665 V N 1.715 121.540 119.914 -0.148 0.000 2.282 665 V HA -0.259 3.861 4.120 -0.000 0.000 0.249 665 V C 2.367 178.338 176.094 -0.206 0.000 1.057 665 V CA 1.825 64.018 62.300 -0.179 0.000 1.032 665 V CB -0.535 30.998 31.823 -0.483 0.000 0.645 665 V HN 0.227 nan 8.190 nan 0.000 0.447 666 E N 0.180 120.149 120.200 -0.384 0.000 2.110 666 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 666 E C 2.321 178.842 176.600 -0.132 0.000 0.988 666 E CA 1.217 57.462 56.400 -0.260 0.000 0.804 666 E CB -0.333 29.219 29.700 -0.247 0.000 0.745 666 E HN 0.618 nan 8.360 nan 0.000 0.458 667 A N 1.356 124.103 122.820 -0.122 0.000 1.972 667 A HA -0.186 4.134 4.320 -0.000 0.000 0.219 667 A C 2.035 179.535 177.584 -0.139 0.000 1.169 667 A CA 1.364 53.341 52.037 -0.100 0.000 0.635 667 A CB -0.231 18.721 19.000 -0.080 0.000 0.810 667 A HN 0.084 nan 8.150 nan 0.000 0.446 668 R N -3.073 117.310 120.500 -0.196 0.000 2.206 668 R HA 0.234 4.574 4.340 -0.000 0.000 0.198 668 R C -0.562 175.378 176.300 -0.601 0.000 0.986 668 R CA 0.272 56.129 56.100 -0.406 0.000 1.029 668 R CB 0.193 30.186 30.300 -0.511 0.000 0.966 668 R HN 0.555 nan 8.270 nan 0.000 0.487 669 Y N 0.696 120.924 120.300 -0.119 0.000 2.499 669 Y HA 0.361 4.911 4.550 -0.000 0.000 0.347 669 Y C -2.195 173.658 175.900 -0.078 0.000 0.987 669 Y CA -3.261 54.779 58.100 -0.101 0.000 1.044 669 Y CB 1.475 39.855 38.460 -0.133 0.000 1.245 669 Y HN -0.137 nan 8.280 nan 0.000 0.461 670 P HA 0.054 nan 4.420 nan 0.000 0.271 670 P C -0.869 176.503 177.300 0.120 0.000 1.216 670 P CA -0.123 63.032 63.100 0.093 0.000 0.771 670 P CB 0.841 32.602 31.700 0.102 0.000 0.864 671 L N 4.231 125.514 121.223 0.101 0.000 2.417 671 L HA 0.344 4.684 4.340 -0.000 0.000 0.268 671 L C 0.313 177.308 176.870 0.208 0.000 1.158 671 L CA 0.275 55.192 54.840 0.128 0.000 0.819 671 L CB -0.679 41.426 42.059 0.077 0.000 1.112 671 L HN 0.324 nan 8.230 nan 0.000 0.458 672 F N 1.576 121.558 119.950 0.052 0.000 2.569 672 F HA 0.548 5.075 4.527 -0.000 0.000 0.312 672 F C -0.052 175.780 175.800 0.052 0.000 1.109 672 F CA -0.549 57.480 58.000 0.050 0.000 0.919 672 F CB 1.768 40.799 39.000 0.053 0.000 1.211 672 F HN 0.538 nan 8.300 nan 0.000 0.446 673 E N 0.000 119.939 120.200 -0.435 0.000 2.725 673 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 673 E CA 0.000 56.264 56.400 -0.227 0.000 0.976 673 E CB 0.000 29.602 29.700 -0.163 0.000 0.812 673 E HN 0.000 nan 8.360 nan 0.000 0.440