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 3ibb_1_F DATA FIRST_RESID 10 DATA SEQUENCE DIHTTAGKLA DLRRRIEEAT HAGSARAVEK QHAKGKLTAR ERIDLLLDEG DATA SEQUENCE SFVELDEFAR HRSTNFGLDA NRPYGDGVVT GYGTVDGRPV AVFSQDFTVF DATA SEQUENCE GGALGEVYGQ KIVKVMDFAL KTGCPVVGIN DSGGARIQEG VASLGAYGEI DATA SEQUENCE FRRNTHASGV IPQISLVVGP CAGGAVYSPA ITDFTVMVDQ TSHMFITGPD DATA SEQUENCE VIKTVTGEDV GFEELGGART HNSTSGVAHH MAGDEKDAVE YVKQLLSYLP DATA SEQUENCE SNNLSEPPAF PEEADLAVTD EDAELDTIVP DSANQPYDMH SVIEHVLDDA DATA SEQUENCE EFFETQPLFA PNILTGFGRV EGRPVGIVAN QPMQFAGCLD ITASEKAARF DATA SEQUENCE VRTCDAFNVP VLTFVDVPGF LPGVDQEHDG IIRRGAKLIF AYAEATVPLI DATA SEQUENCE TVITRKAFGG AYAVMGSKHL GADLNLAWPT AQIAVMGAQG AVNILHRRTI DATA SEQUENCE ADAGDDAEAT RARLIQEYED ALLNPYTAAE RGYVDAVIMP SDTRRHIVRG DATA SEQUENCE LRQLRTKRES LPPKKHGNIP L 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 10 D HA 0.000 nan 4.640 nan 0.000 0.175 10 D C 0.000 176.320 176.300 0.033 0.000 2.045 10 D CA 0.000 54.036 54.000 0.061 0.000 0.868 10 D CB 0.000 40.870 40.800 0.117 0.000 0.688 11 I N 0.223 120.799 120.570 0.010 0.000 4.312 11 I HA 0.211 4.381 4.170 0.000 0.000 0.324 11 I C 1.609 177.657 176.117 -0.114 0.000 1.298 11 I CA 0.940 62.193 61.300 -0.078 0.000 1.231 11 I CB -0.540 37.370 38.000 -0.150 0.000 1.152 11 I HN 0.384 nan 8.210 nan 0.000 0.421 12 H N -0.190 118.883 119.070 0.005 0.000 2.389 12 H HA -0.006 4.550 4.556 0.000 0.000 0.299 12 H C 1.051 176.380 175.328 0.002 0.000 1.081 12 H CA 1.560 57.610 56.048 0.003 0.000 1.345 12 H CB -0.504 29.259 29.762 0.003 0.000 1.393 12 H HN 0.188 nan 8.280 nan 0.000 0.520 13 T N -0.354 114.275 114.554 0.125 0.000 2.930 13 T HA -0.049 4.301 4.350 0.000 0.000 0.306 13 T C 1.515 176.239 174.700 0.039 0.000 1.045 13 T CA 0.151 62.293 62.100 0.069 0.000 1.134 13 T CB 0.786 69.686 68.868 0.055 0.000 0.961 13 T HN 0.274 nan 8.240 nan 0.000 0.545 14 T N 4.262 118.833 114.554 0.029 0.000 2.995 14 T HA 0.049 4.399 4.350 0.000 0.000 0.269 14 T C 2.154 176.863 174.700 0.015 0.000 1.091 14 T CA 1.049 63.159 62.100 0.017 0.000 1.128 14 T CB -0.399 68.477 68.868 0.013 0.000 0.891 14 T HN 0.741 nan 8.240 nan 0.000 0.492 15 A N 1.113 123.943 122.820 0.018 0.000 1.883 15 A HA 0.093 4.413 4.320 0.000 0.000 0.217 15 A C 2.411 180.004 177.584 0.015 0.000 1.186 15 A CA 1.803 53.849 52.037 0.016 0.000 0.624 15 A CB -0.960 18.050 19.000 0.017 0.000 0.822 15 A HN 0.513 nan 8.150 nan 0.000 0.444 16 G N -1.635 107.175 108.800 0.018 0.000 2.986 16 G HA2 0.070 4.030 3.960 0.000 0.000 0.213 16 G HA3 0.070 4.030 3.960 0.000 0.000 0.213 16 G C 1.362 176.269 174.900 0.010 0.000 1.156 16 G CA 0.610 45.719 45.100 0.015 0.000 0.763 16 G HN 0.499 nan 8.290 nan 0.000 0.547 17 K N 0.202 120.607 120.400 0.008 0.000 2.097 17 K HA 0.067 4.387 4.320 0.000 0.000 0.206 17 K C 2.283 178.885 176.600 0.004 0.000 1.049 17 K CA 0.695 56.982 56.287 -0.000 0.000 0.933 17 K CB -0.174 32.325 32.500 -0.002 0.000 0.717 17 K HN 0.274 nan 8.250 nan 0.000 0.442 18 L N 0.073 121.301 121.223 0.008 0.000 2.046 18 L HA -0.179 4.161 4.340 0.000 0.000 0.208 18 L C 2.557 179.439 176.870 0.021 0.000 1.077 18 L CA 1.255 56.102 54.840 0.012 0.000 0.747 18 L CB -0.697 41.369 42.059 0.013 0.000 0.896 18 L HN 0.242 nan 8.230 nan 0.000 0.432 19 A N 0.380 123.212 122.820 0.019 0.000 1.933 19 A HA -0.295 4.025 4.320 0.000 0.000 0.218 19 A C 1.954 179.556 177.584 0.030 0.000 1.175 19 A CA 2.065 54.115 52.037 0.023 0.000 0.628 19 A CB -0.677 18.334 19.000 0.019 0.000 0.814 19 A HN 0.513 nan 8.150 nan 0.000 0.444 20 D N -0.709 119.707 120.400 0.028 0.000 2.178 20 D HA -0.165 4.475 4.640 0.000 0.000 0.201 20 D C 1.685 178.021 176.300 0.061 0.000 0.980 20 D CA 1.238 55.260 54.000 0.038 0.000 0.842 20 D CB -0.154 40.660 40.800 0.022 0.000 0.948 20 D HN 0.256 nan 8.370 nan 0.000 0.472 21 L N 0.783 122.040 121.223 0.056 0.000 2.046 21 L HA -0.052 4.288 4.340 0.000 0.000 0.208 21 L C 2.070 178.992 176.870 0.087 0.000 1.077 21 L CA 1.727 56.618 54.840 0.087 0.000 0.747 21 L CB -0.748 41.352 42.059 0.067 0.000 0.896 21 L HN -0.045 nan 8.230 nan 0.000 0.432 22 R N -0.846 119.688 120.500 0.056 0.000 2.096 22 R HA -0.105 4.236 4.340 0.000 0.000 0.235 22 R C 2.433 178.760 176.300 0.044 0.000 1.127 22 R CA 1.321 57.446 56.100 0.041 0.000 0.968 22 R CB -0.646 29.674 30.300 0.033 0.000 0.861 22 R HN 0.308 nan 8.270 nan 0.000 0.440 23 R N 1.205 121.739 120.500 0.056 0.000 2.081 23 R HA -0.098 4.242 4.340 0.000 0.000 0.235 23 R C 2.061 178.417 176.300 0.093 0.000 1.131 23 R CA 1.612 57.751 56.100 0.065 0.000 0.960 23 R CB -0.036 30.302 30.300 0.065 0.000 0.856 23 R HN 0.194 nan 8.270 nan 0.000 0.436 24 R N -0.006 120.559 120.500 0.107 0.000 2.066 24 R HA -0.030 4.310 4.340 0.000 0.000 0.232 24 R C 2.427 178.630 176.300 -0.162 0.000 1.131 24 R CA 1.466 57.630 56.100 0.107 0.000 0.955 24 R CB -0.243 30.173 30.300 0.193 0.000 0.851 24 R HN 0.260 nan 8.270 nan 0.000 0.432 25 I N 0.819 121.299 120.570 -0.149 0.000 2.226 25 I HA -0.273 3.897 4.170 0.000 0.000 0.245 25 I C 2.457 178.519 176.117 -0.091 0.000 1.100 25 I CA 1.535 62.700 61.300 -0.225 0.000 1.374 25 I CB -0.222 37.711 38.000 -0.112 0.000 1.057 25 I HN 0.238 nan 8.210 nan 0.000 0.413 26 E N 1.323 121.534 120.200 0.018 0.000 2.110 26 E HA -0.301 4.049 4.350 0.000 0.000 0.193 26 E C 1.921 178.674 176.600 0.255 0.000 0.988 26 E CA 1.778 58.251 56.400 0.122 0.000 0.804 26 E CB -0.368 29.387 29.700 0.092 0.000 0.745 26 E HN 0.473 nan 8.360 nan 0.000 0.458 27 E N -0.131 120.178 120.200 0.182 0.000 2.051 27 E HA -0.175 4.175 4.350 0.000 0.000 0.192 27 E C 2.014 178.792 176.600 0.297 0.000 0.991 27 E CA 1.157 57.714 56.400 0.262 0.000 0.799 27 E CB -0.310 29.575 29.700 0.308 0.000 0.748 27 E HN 0.420 nan 8.360 nan 0.000 0.449 28 A N 0.453 123.377 122.820 0.172 0.000 1.933 28 A HA -0.198 4.122 4.320 0.000 0.000 0.218 28 A C 2.408 180.008 177.584 0.025 0.000 1.175 28 A CA 2.211 54.327 52.037 0.131 0.000 0.628 28 A CB -1.199 17.450 19.000 -0.584 0.000 0.814 28 A HN 0.508 nan 8.150 nan 0.000 0.444 29 T N -2.029 112.490 114.554 -0.057 0.000 2.788 29 T HA -0.209 4.141 4.350 0.000 0.000 0.268 29 T C 1.353 175.911 174.700 -0.237 0.000 1.044 29 T CA 1.909 63.899 62.100 -0.182 0.000 1.139 29 T CB -0.573 68.119 68.868 -0.293 0.000 0.867 29 T HN 0.643 nan 8.240 nan 0.000 0.454 30 H N 1.164 120.247 119.070 0.022 0.000 2.517 30 H HA 0.704 5.260 4.556 0.000 0.000 0.282 30 H C 1.005 176.345 175.328 0.019 0.000 1.023 30 H CA -0.061 56.000 56.048 0.022 0.000 1.169 30 H CB -0.289 29.488 29.762 0.025 0.000 1.454 30 H HN 0.577 nan 8.280 nan 0.000 0.556 31 A N 1.188 124.067 122.820 0.098 0.000 2.540 31 A HA 0.450 4.770 4.320 0.000 0.000 0.239 31 A C 1.170 178.746 177.584 -0.013 0.000 1.061 31 A CA 0.740 52.802 52.037 0.042 0.000 0.758 31 A CB -0.551 18.471 19.000 0.037 0.000 0.991 31 A HN 0.643 nan 8.150 nan 0.000 0.502 32 G N 1.187 109.950 108.800 -0.062 0.000 2.699 32 G HA2 0.191 4.151 3.960 0.000 0.000 0.686 32 G HA3 0.191 4.151 3.960 0.000 0.000 0.686 32 G C -0.171 174.712 174.900 -0.029 0.000 1.301 32 G CA -0.377 44.668 45.100 -0.091 0.000 0.816 32 G HN 1.921 nan 8.290 nan 0.000 0.595 33 S N 0.373 116.055 115.700 -0.030 0.000 2.537 33 S HA 0.456 4.926 4.470 0.000 0.000 0.286 33 S C 1.739 176.359 174.600 0.033 0.000 1.299 33 S CA 0.660 58.863 58.200 0.005 0.000 1.067 33 S CB 1.532 64.737 63.200 0.007 0.000 0.864 33 S HN 2.114 nan 8.310 nan 0.000 0.494 34 A N 3.247 126.096 122.820 0.048 0.000 1.972 34 A HA -0.154 4.166 4.320 0.000 0.000 0.219 34 A C 2.214 179.837 177.584 0.065 0.000 1.169 34 A CA 1.421 53.500 52.037 0.071 0.000 0.635 34 A CB -0.547 18.495 19.000 0.070 0.000 0.810 34 A HN 0.870 nan 8.150 nan 0.000 0.446 35 R N 0.020 120.549 120.500 0.048 0.000 2.081 35 R HA -0.103 4.237 4.340 0.000 0.000 0.235 35 R C 2.160 178.495 176.300 0.058 0.000 1.131 35 R CA 1.616 57.745 56.100 0.048 0.000 0.960 35 R CB -0.552 29.769 30.300 0.035 0.000 0.856 35 R HN 0.376 nan 8.270 nan 0.000 0.436 36 A N 0.817 123.671 122.820 0.056 0.000 1.908 36 A HA -0.094 4.226 4.320 0.000 0.000 0.218 36 A C 2.354 179.991 177.584 0.089 0.000 1.181 36 A CA 1.610 53.691 52.037 0.074 0.000 0.627 36 A CB -0.572 18.465 19.000 0.062 0.000 0.818 36 A HN 0.235 nan 8.150 nan 0.000 0.445 37 V N 0.341 120.303 119.914 0.081 0.000 2.427 37 V HA -0.245 3.875 4.120 0.000 0.000 0.248 37 V C 2.386 178.547 176.094 0.112 0.000 1.051 37 V CA 2.144 64.492 62.300 0.080 0.000 1.048 37 V CB -0.755 31.119 31.823 0.085 0.000 0.666 37 V HN 0.634 nan 8.190 nan 0.000 0.456 38 E N -0.040 120.237 120.200 0.129 0.000 2.160 38 E HA -0.309 4.041 4.350 0.000 0.000 0.195 38 E C 2.207 178.874 176.600 0.113 0.000 0.991 38 E CA 1.391 57.879 56.400 0.146 0.000 0.810 38 E CB -0.152 29.598 29.700 0.084 0.000 0.742 38 E HN 0.541 nan 8.360 nan 0.000 0.466 39 K N 1.111 121.558 120.400 0.077 0.000 2.057 39 K HA -0.248 4.072 4.320 0.000 0.000 0.207 39 K C 2.264 178.874 176.600 0.016 0.000 1.049 39 K CA 1.456 57.774 56.287 0.051 0.000 0.931 39 K CB 0.040 32.578 32.500 0.063 0.000 0.714 39 K HN -0.085 nan 8.250 nan 0.000 0.440 40 Q N -0.340 119.460 119.800 -0.001 0.000 2.084 40 Q HA -0.171 4.169 4.340 0.000 0.000 0.202 40 Q C 1.649 177.610 176.000 -0.065 0.000 0.978 40 Q CA 1.940 57.694 55.803 -0.082 0.000 0.844 40 Q CB -0.103 28.573 28.738 -0.104 0.000 0.898 40 Q HN 0.532 nan 8.270 nan 0.000 0.426 41 H N -1.316 117.744 119.070 -0.016 0.000 2.387 41 H HA -0.054 4.502 4.556 0.000 0.000 0.299 41 H C 1.757 177.074 175.328 -0.017 0.000 1.090 41 H CA 1.112 57.151 56.048 -0.014 0.000 1.332 41 H CB 0.058 29.818 29.762 -0.004 0.000 1.386 41 H HN 0.414 nan 8.280 nan 0.000 0.516 42 A N 0.755 123.644 122.820 0.115 0.000 1.933 42 A HA -0.183 4.137 4.320 0.000 0.000 0.218 42 A C 2.136 179.735 177.584 0.026 0.000 1.175 42 A CA 1.362 53.434 52.037 0.057 0.000 0.628 42 A CB -0.224 18.800 19.000 0.039 0.000 0.814 42 A HN 0.105 nan 8.150 nan 0.000 0.444 43 K N -0.963 119.437 120.400 0.000 0.000 2.211 43 K HA -0.077 4.243 4.320 0.000 0.000 0.204 43 K C 1.256 177.850 176.600 -0.009 0.000 1.047 43 K CA 1.074 57.347 56.287 -0.023 0.000 0.935 43 K CB -0.693 31.766 32.500 -0.069 0.000 0.728 43 K HN 0.999 nan 8.250 nan 0.000 0.452 44 G N 0.074 108.879 108.800 0.009 0.000 2.148 44 G HA2 -0.211 3.749 3.960 0.000 0.000 0.203 44 G HA3 -0.211 3.749 3.960 0.000 0.000 0.203 44 G C -0.160 174.738 174.900 -0.002 0.000 0.993 44 G CA 0.127 45.237 45.100 0.016 0.000 0.661 44 G HN 0.298 nan 8.290 nan 0.000 0.518 45 K N -0.149 120.230 120.400 -0.034 0.000 2.259 45 K HA 0.689 5.009 4.320 0.000 0.000 0.252 45 K C 0.124 176.651 176.600 -0.122 0.000 0.936 45 K CA -0.960 55.283 56.287 -0.073 0.000 0.810 45 K CB 1.481 33.918 32.500 -0.104 0.000 1.143 45 K HN 0.038 nan 8.250 nan 0.000 0.427 46 L N 0.674 121.832 121.223 -0.108 0.000 2.479 46 L HA 0.386 4.726 4.340 0.000 0.000 0.249 46 L C 0.761 177.547 176.870 -0.141 0.000 1.178 46 L CA -0.109 54.650 54.840 -0.135 0.000 0.811 46 L CB 0.551 42.561 42.059 -0.081 0.000 1.187 46 L HN 0.576 nan 8.230 nan 0.000 0.480 47 T N -0.824 113.645 114.554 -0.142 0.000 2.948 47 T HA 0.502 4.852 4.350 0.000 0.000 0.285 47 T C 1.097 175.746 174.700 -0.085 0.000 1.019 47 T CA 0.047 62.083 62.100 -0.107 0.000 1.013 47 T CB 1.651 70.444 68.868 -0.125 0.000 1.117 47 T HN 0.649 nan 8.240 nan 0.000 0.533 48 A N 0.953 123.737 122.820 -0.060 0.000 1.902 48 A HA -0.108 4.212 4.320 0.000 0.000 0.217 48 A C 2.280 179.776 177.584 -0.147 0.000 1.181 48 A CA 1.237 53.233 52.037 -0.068 0.000 0.623 48 A CB -0.358 18.629 19.000 -0.022 0.000 0.818 48 A HN 0.629 nan 8.150 nan 0.000 0.443 49 R N -0.095 120.309 120.500 -0.161 0.000 2.090 49 R HA -0.047 4.293 4.340 0.000 0.000 0.228 49 R C 1.879 178.056 176.300 -0.206 0.000 1.110 49 R CA 1.171 57.132 56.100 -0.233 0.000 0.973 49 R CB -0.545 29.639 30.300 -0.194 0.000 0.869 49 R HN 0.699 nan 8.270 nan 0.000 0.440 50 E N 0.862 120.976 120.200 -0.143 0.000 2.031 50 E HA -0.167 4.183 4.350 0.000 0.000 0.193 50 E C 2.143 178.674 176.600 -0.115 0.000 0.994 50 E CA 1.069 57.403 56.400 -0.110 0.000 0.800 50 E CB -0.177 29.472 29.700 -0.084 0.000 0.752 50 E HN 0.320 nan 8.360 nan 0.000 0.447 51 R N 0.386 120.817 120.500 -0.115 0.000 2.075 51 R HA -0.058 4.282 4.340 0.000 0.000 0.232 51 R C 2.504 178.725 176.300 -0.133 0.000 1.126 51 R CA 0.902 56.941 56.100 -0.102 0.000 0.963 51 R CB -0.313 29.937 30.300 -0.084 0.000 0.858 51 R HN 0.141 nan 8.270 nan 0.000 0.435 52 I N 0.796 121.247 120.570 -0.199 0.000 2.226 52 I HA -0.277 3.893 4.170 0.000 0.000 0.245 52 I C 2.080 178.033 176.117 -0.275 0.000 1.100 52 I CA 1.603 62.730 61.300 -0.287 0.000 1.374 52 I CB -0.180 37.488 38.000 -0.553 0.000 1.057 52 I HN 0.151 nan 8.210 nan 0.000 0.413 53 D N 0.346 120.590 120.400 -0.260 0.000 2.144 53 D HA -0.217 4.423 4.640 0.000 0.000 0.199 53 D C 2.041 178.284 176.300 -0.094 0.000 0.984 53 D CA 1.005 54.902 54.000 -0.172 0.000 0.834 53 D CB 0.001 40.716 40.800 -0.143 0.000 0.955 53 D HN 0.167 nan 8.370 nan 0.000 0.465 54 L N 0.217 121.389 121.223 -0.087 0.000 2.017 54 L HA -0.030 4.310 4.340 0.000 0.000 0.208 54 L C 2.063 178.904 176.870 -0.048 0.000 1.073 54 L CA 1.603 56.410 54.840 -0.056 0.000 0.745 54 L CB -1.224 40.805 42.059 -0.049 0.000 0.894 54 L HN 0.277 nan 8.230 nan 0.000 0.432 55 L N -0.540 120.649 121.223 -0.057 0.000 2.027 55 L HA 0.016 4.356 4.340 0.000 0.000 0.206 55 L C 1.012 177.867 176.870 -0.026 0.000 1.074 55 L CA 1.326 56.140 54.840 -0.043 0.000 0.745 55 L CB -0.465 41.562 42.059 -0.054 0.000 0.898 55 L HN 0.168 nan 8.230 nan 0.000 0.433 56 L N 0.573 121.788 121.223 -0.013 0.000 2.453 56 L HA 0.153 4.493 4.340 0.000 0.000 0.261 56 L C 0.010 176.891 176.870 0.019 0.000 1.179 56 L CA -0.750 54.107 54.840 0.029 0.000 0.813 56 L CB 0.156 42.276 42.059 0.102 0.000 1.110 56 L HN 0.099 nan 8.230 nan 0.000 0.466 57 D N 1.321 121.740 120.400 0.031 0.000 2.414 57 D HA -0.012 4.628 4.640 0.000 0.000 0.242 57 D C 0.150 176.467 176.300 0.029 0.000 1.129 57 D CA 0.014 54.026 54.000 0.021 0.000 0.885 57 D CB 0.671 41.483 40.800 0.021 0.000 1.198 57 D HN 0.425 nan 8.370 nan 0.000 0.437 58 E N 0.406 120.615 120.200 0.015 0.000 2.415 58 E HA 0.157 4.507 4.350 0.000 0.000 0.263 58 E C 0.692 177.309 176.600 0.029 0.000 0.995 58 E CA 0.072 56.481 56.400 0.014 0.000 0.915 58 E CB 0.134 29.837 29.700 0.004 0.000 0.951 58 E HN 0.631 nan 8.360 nan 0.000 0.449 59 G N 3.493 112.318 108.800 0.041 0.000 2.283 59 G HA2 -0.311 3.649 3.960 0.000 0.000 0.280 59 G HA3 -0.311 3.649 3.960 0.000 0.000 0.280 59 G C 0.436 175.376 174.900 0.066 0.000 1.029 59 G CA 0.768 45.900 45.100 0.054 0.000 0.840 59 G HN 0.773 nan 8.290 nan 0.000 0.505 60 S N -1.485 114.272 115.700 0.095 0.000 2.650 60 S HA 0.537 5.007 4.470 0.000 0.000 0.240 60 S C 0.138 174.820 174.600 0.137 0.000 1.007 60 S CA -0.408 57.844 58.200 0.087 0.000 0.984 60 S CB 0.322 63.563 63.200 0.068 0.000 0.910 60 S HN 0.889 nan 8.310 nan 0.000 0.509 61 F N 2.282 122.240 119.950 0.014 0.000 2.415 61 F HA 0.669 5.196 4.527 -0.000 0.000 0.348 61 F C -0.593 175.228 175.800 0.035 0.000 1.119 61 F CA -0.884 57.131 58.000 0.024 0.000 1.069 61 F CB 1.387 40.386 39.000 -0.002 0.000 1.124 61 F HN -0.071 nan 8.300 nan 0.000 0.472 62 V N 5.757 125.280 119.914 -0.651 0.000 2.472 62 V HA 0.267 4.387 4.120 0.000 0.000 0.290 62 V C -0.423 175.154 176.094 -0.861 0.000 1.037 62 V CA -0.757 61.270 62.300 -0.455 0.000 0.908 62 V CB 1.612 33.409 31.823 -0.044 0.000 0.985 62 V HN 0.763 nan 8.190 nan 0.000 0.454 63 E N 4.234 124.219 120.200 -0.357 0.000 2.156 63 E HA 0.618 4.968 4.350 0.000 0.000 0.279 63 E C -1.515 175.015 176.600 -0.116 0.000 0.965 63 E CA -0.549 55.741 56.400 -0.184 0.000 0.789 63 E CB 1.163 30.904 29.700 0.068 0.000 1.098 63 E HN 0.564 nan 8.360 nan 0.000 0.397 64 L N 4.203 125.338 121.223 -0.146 0.000 2.346 64 L HA 0.387 4.727 4.340 0.000 0.000 0.276 64 L C -0.354 176.490 176.870 -0.044 0.000 1.006 64 L CA -0.726 54.059 54.840 -0.092 0.000 0.817 64 L CB 1.706 43.651 42.059 -0.190 0.000 1.272 64 L HN 0.670 nan 8.230 nan 0.000 0.421 65 D N 1.074 121.489 120.400 0.024 0.000 2.746 65 D HA -0.216 4.424 4.640 0.000 0.000 0.236 65 D C 0.991 177.326 176.300 0.059 0.000 1.129 65 D CA 1.092 55.131 54.000 0.064 0.000 0.691 65 D CB -0.363 40.450 40.800 0.022 0.000 1.077 65 D HN 0.881 nan 8.370 nan 0.000 0.432 66 E N -0.664 119.551 120.200 0.025 0.000 2.051 66 E HA -0.187 4.163 4.350 0.000 0.000 0.192 66 E C 1.817 178.325 176.600 -0.153 0.000 0.991 66 E CA 1.229 57.536 56.400 -0.155 0.000 0.799 66 E CB -0.045 29.415 29.700 -0.400 0.000 0.748 66 E HN 0.398 nan 8.360 nan 0.000 0.449 67 F N 1.248 121.212 119.950 0.022 0.000 2.186 67 F HA 0.058 4.585 4.527 0.000 0.000 0.299 67 F C 1.324 177.267 175.800 0.238 0.000 1.090 67 F CA 0.408 58.494 58.000 0.145 0.000 1.307 67 F CB -0.522 38.517 39.000 0.066 0.000 1.019 67 F HN -0.046 nan 8.300 nan 0.000 0.489 68 A N 1.526 124.524 122.820 0.297 0.000 2.567 68 A HA 0.264 4.584 4.320 0.000 0.000 0.240 68 A C 0.351 178.045 177.584 0.183 0.000 1.053 68 A CA 0.145 52.302 52.037 0.201 0.000 0.755 68 A CB -0.064 19.012 19.000 0.127 0.000 0.978 68 A HN 0.366 nan 8.150 nan 0.000 0.507 69 R N 1.335 121.921 120.500 0.142 0.000 2.686 69 R HA 0.304 4.644 4.340 0.000 0.000 0.283 69 R C -0.309 176.027 176.300 0.060 0.000 0.978 69 R CA -0.806 55.356 56.100 0.104 0.000 0.897 69 R CB 1.617 31.936 30.300 0.031 0.000 1.192 69 R HN 1.027 nan 8.270 nan 0.000 0.457 70 H N 1.601 120.723 119.070 0.086 0.000 2.771 70 H HA 0.166 4.722 4.556 0.000 0.000 0.364 70 H C -0.681 174.671 175.328 0.039 0.000 1.133 70 H CA -0.011 56.076 56.048 0.065 0.000 1.423 70 H CB 1.088 30.893 29.762 0.071 0.000 1.425 70 H HN 0.439 nan 8.280 nan 0.000 0.606 71 R N 2.217 122.770 120.500 0.089 0.000 2.868 71 R HA 0.253 4.593 4.340 0.000 0.000 0.289 71 R C -0.927 175.429 176.300 0.093 0.000 1.443 71 R CA -0.323 55.780 56.100 0.005 0.000 1.651 71 R CB 0.797 31.106 30.300 0.015 0.000 1.242 71 R HN 0.560 nan 8.270 nan 0.000 0.621 72 S N -0.442 115.379 115.700 0.203 0.000 2.538 72 S HA 0.298 4.768 4.470 0.000 0.000 0.288 72 S C 0.729 175.418 174.600 0.149 0.000 1.108 72 S CA -0.604 57.715 58.200 0.197 0.000 0.971 72 S CB 1.260 64.596 63.200 0.226 0.000 1.041 72 S HN 0.480 nan 8.310 nan 0.000 0.483 73 T N 0.506 115.104 114.554 0.073 0.000 3.054 73 T HA 0.261 4.611 4.350 0.000 0.000 0.255 73 T C 0.354 175.073 174.700 0.030 0.000 1.035 73 T CA -0.340 61.788 62.100 0.047 0.000 0.941 73 T CB -0.320 68.553 68.868 0.008 0.000 1.026 73 T HN 0.507 nan 8.240 nan 0.000 0.533 74 N N 2.227 120.953 118.700 0.043 0.000 2.458 74 N HA 0.149 4.889 4.740 0.000 0.000 0.258 74 N C -0.316 175.267 175.510 0.122 0.000 1.219 74 N CA 0.222 53.282 53.050 0.018 0.000 0.902 74 N CB -0.141 38.410 38.487 0.106 0.000 1.076 74 N HN 0.269 nan 8.380 nan 0.000 0.455 75 F N -0.025 119.910 119.950 -0.025 0.000 3.091 75 F HA -0.216 4.311 4.527 0.000 0.000 0.288 75 F C 1.477 177.265 175.800 -0.019 0.000 0.907 75 F CA 0.774 58.756 58.000 -0.029 0.000 1.028 75 F CB -2.110 36.860 39.000 -0.051 0.000 1.022 75 F HN 0.778 nan 8.300 nan 0.000 0.665 76 G N 0.057 108.913 108.800 0.092 0.000 2.341 76 G HA2 -0.285 3.675 3.960 0.000 0.000 0.292 76 G HA3 -0.285 3.675 3.960 0.000 0.000 0.292 76 G C 0.760 175.723 174.900 0.104 0.000 1.021 76 G CA 0.333 45.481 45.100 0.081 0.000 0.905 76 G HN 0.717 nan 8.290 nan 0.000 0.508 77 L N 0.600 121.894 121.223 0.120 0.000 2.465 77 L HA 0.121 4.461 4.340 0.000 0.000 0.224 77 L C 2.393 179.430 176.870 0.279 0.000 1.145 77 L CA 2.316 57.246 54.840 0.150 0.000 0.834 77 L CB -0.211 41.906 42.059 0.097 0.000 0.944 77 L HN 0.448 nan 8.230 nan 0.000 0.451 78 D N -0.355 120.135 120.400 0.150 0.000 2.144 78 D HA -0.209 4.431 4.640 0.000 0.000 0.199 78 D C 1.978 178.314 176.300 0.060 0.000 0.984 78 D CA 1.345 55.384 54.000 0.065 0.000 0.834 78 D CB -0.565 40.252 40.800 0.029 0.000 0.955 78 D HN 0.322 nan 8.370 nan 0.000 0.465 79 A N 0.370 123.243 122.820 0.089 0.000 1.908 79 A HA -0.140 4.180 4.320 0.000 0.000 0.218 79 A C 1.096 178.737 177.584 0.095 0.000 1.181 79 A CA 0.984 53.067 52.037 0.077 0.000 0.627 79 A CB -0.428 18.620 19.000 0.079 0.000 0.818 79 A HN 0.304 nan 8.150 nan 0.000 0.445 80 N N -0.035 118.776 118.700 0.185 0.000 2.392 80 N HA 0.447 5.187 4.740 0.000 0.000 0.283 80 N C -1.069 174.595 175.510 0.256 0.000 1.003 80 N CA -0.285 52.884 53.050 0.199 0.000 0.892 80 N CB 1.459 40.096 38.487 0.250 0.000 1.193 80 N HN 0.252 nan 8.380 nan 0.000 0.487 81 R N 2.027 122.574 120.500 0.078 0.000 2.547 81 R HA 0.303 4.643 4.340 0.000 0.000 0.280 81 R C -2.471 173.793 176.300 -0.061 0.000 1.630 81 R CA -1.239 54.866 56.100 0.009 0.000 1.470 81 R CB 1.584 31.805 30.300 -0.133 0.000 1.178 81 R HN 0.402 nan 8.270 nan 0.000 0.591 82 P HA 0.013 nan 4.420 nan 0.000 0.274 82 P C -0.652 176.600 177.300 -0.079 0.000 1.246 82 P CA -0.256 62.783 63.100 -0.101 0.000 0.795 82 P CB 0.751 32.406 31.700 -0.076 0.000 1.006 83 Y N -0.374 119.939 120.300 0.021 0.000 2.442 83 Y HA 0.317 4.867 4.550 -0.000 0.000 0.330 83 Y C 1.998 177.897 175.900 -0.002 0.000 1.129 83 Y CA 1.154 59.254 58.100 0.000 0.000 1.365 83 Y CB 0.124 38.538 38.460 -0.075 0.000 1.233 83 Y HN 0.777 nan 8.280 nan 0.000 0.529 84 G N 2.397 111.308 108.800 0.186 0.000 2.179 84 G HA2 -0.375 3.585 3.960 0.000 0.000 0.260 84 G HA3 -0.375 3.585 3.960 0.000 0.000 0.260 84 G C 0.393 175.355 174.900 0.103 0.000 0.977 84 G CA 0.322 45.482 45.100 0.099 0.000 0.641 84 G HN 0.864 nan 8.290 nan 0.000 0.533 85 D N -1.411 119.089 120.400 0.167 0.000 2.911 85 D HA 0.025 4.665 4.640 0.000 0.000 0.227 85 D C 1.712 178.198 176.300 0.310 0.000 1.164 85 D CA 2.944 57.096 54.000 0.253 0.000 0.782 85 D CB -1.278 39.654 40.800 0.221 0.000 1.094 85 D HN 2.187 nan 8.370 nan 0.000 0.425 86 G N -1.487 107.441 108.800 0.214 0.000 2.305 86 G HA2 -0.083 3.877 3.960 0.000 0.000 0.287 86 G HA3 -0.083 3.877 3.960 0.000 0.000 0.287 86 G C 0.254 175.352 174.900 0.329 0.000 1.036 86 G CA 1.007 46.256 45.100 0.248 0.000 0.887 86 G HN 1.336 nan 8.290 nan 0.000 0.505 87 V N -1.326 118.557 119.914 -0.051 0.000 3.078 87 V HA 0.812 4.932 4.120 0.000 0.000 0.311 87 V C -0.426 175.609 176.094 -0.098 0.000 1.138 87 V CA -0.631 61.535 62.300 -0.223 0.000 1.007 87 V CB 2.583 33.841 31.823 -0.942 0.000 1.045 87 V HN 0.630 nan 8.190 nan 0.000 0.432 88 V N 3.950 123.854 119.914 -0.017 0.000 2.384 88 V HA 0.668 4.788 4.120 0.000 0.000 0.287 88 V C 0.034 176.184 176.094 0.093 0.000 1.020 88 V CA 0.070 62.390 62.300 0.034 0.000 0.850 88 V CB 1.429 33.270 31.823 0.031 0.000 0.987 88 V HN 1.080 nan 8.190 nan 0.000 0.436 89 T N 1.365 115.964 114.554 0.074 0.000 2.841 89 T HA 0.856 5.206 4.350 0.000 0.000 0.285 89 T C -0.094 174.590 174.700 -0.027 0.000 0.991 89 T CA -0.373 61.755 62.100 0.047 0.000 0.966 89 T CB 1.718 70.552 68.868 -0.057 0.000 0.962 89 T HN 0.983 nan 8.240 nan 0.000 0.438 90 G N 1.363 110.106 108.800 -0.094 0.000 2.725 90 G HA2 0.604 4.564 3.960 0.000 0.000 0.288 90 G HA3 0.604 4.564 3.960 0.000 0.000 0.288 90 G C -1.846 172.639 174.900 -0.692 0.000 1.399 90 G CA -1.021 43.712 45.100 -0.611 0.000 0.859 90 G HN 0.649 nan 8.290 nan 0.000 0.479 91 Y N -0.323 119.567 120.300 -0.682 0.000 2.304 91 Y HA 0.555 5.105 4.550 0.000 0.000 0.328 91 Y C 0.972 176.731 175.900 -0.236 0.000 1.123 91 Y CA 0.288 58.162 58.100 -0.376 0.000 1.218 91 Y CB 2.043 40.310 38.460 -0.320 0.000 1.207 91 Y HN 0.656 nan 8.280 nan 0.000 0.495 92 G N 0.727 109.590 108.800 0.105 0.000 2.638 92 G HA2 0.542 4.502 3.960 0.000 0.000 0.302 92 G HA3 0.542 4.502 3.960 0.000 0.000 0.302 92 G C -1.229 173.741 174.900 0.115 0.000 1.365 92 G CA -1.020 44.172 45.100 0.153 0.000 0.987 92 G HN 0.562 nan 8.290 nan 0.000 0.495 93 T N -1.077 113.534 114.554 0.095 0.000 2.792 93 T HA 0.631 4.981 4.350 0.000 0.000 0.280 93 T C -0.485 174.236 174.700 0.035 0.000 0.990 93 T CA -0.686 61.450 62.100 0.060 0.000 0.960 93 T CB 1.587 70.484 68.868 0.048 0.000 0.939 93 T HN 0.460 nan 8.240 nan 0.000 0.439 94 V N 3.306 123.228 119.914 0.013 0.000 2.398 94 V HA 0.358 4.478 4.120 0.000 0.000 0.286 94 V C 0.080 176.160 176.094 -0.024 0.000 1.026 94 V CA -0.698 61.594 62.300 -0.014 0.000 0.868 94 V CB 0.905 32.706 31.823 -0.037 0.000 0.982 94 V HN 1.080 nan 8.190 nan 0.000 0.443 95 D N 3.595 123.980 120.400 -0.026 0.000 2.811 95 D HA -0.191 4.449 4.640 0.000 0.000 0.231 95 D C 1.282 177.579 176.300 -0.004 0.000 1.157 95 D CA 1.466 55.454 54.000 -0.021 0.000 0.716 95 D CB -1.056 39.722 40.800 -0.036 0.000 1.077 95 D HN 1.494 nan 8.370 nan 0.000 0.428 96 G N 0.264 109.064 108.800 -0.001 0.000 2.341 96 G HA2 -0.366 3.594 3.960 0.000 0.000 0.292 96 G HA3 -0.366 3.594 3.960 0.000 0.000 0.292 96 G C 0.145 175.049 174.900 0.007 0.000 1.021 96 G CA 0.778 45.880 45.100 0.004 0.000 0.905 96 G HN 0.547 nan 8.290 nan 0.000 0.508 97 R N 0.290 120.792 120.500 0.003 0.000 2.599 97 R HA 0.503 4.843 4.340 0.000 0.000 0.295 97 R C -2.543 173.768 176.300 0.019 0.000 0.963 97 R CA -2.093 54.009 56.100 0.003 0.000 0.883 97 R CB 2.523 32.812 30.300 -0.019 0.000 1.171 97 R HN 0.118 nan 8.270 nan 0.000 0.450 98 P HA 0.198 nan 4.420 nan 0.000 0.275 98 P C -0.692 176.658 177.300 0.084 0.000 1.228 98 P CA -0.231 62.913 63.100 0.073 0.000 0.786 98 P CB 1.226 32.974 31.700 0.081 0.000 0.927 99 V N 0.579 120.569 119.914 0.127 0.000 3.204 99 V HA 0.675 4.795 4.120 0.000 0.000 0.298 99 V C -0.742 175.441 176.094 0.148 0.000 1.328 99 V CA -0.933 61.433 62.300 0.110 0.000 1.035 99 V CB 2.144 34.003 31.823 0.060 0.000 1.095 99 V HN 0.754 nan 8.190 nan 0.000 0.442 100 A N 1.826 124.719 122.820 0.121 0.000 2.356 100 A HA 0.954 5.274 4.320 0.000 0.000 0.310 100 A C -1.296 176.321 177.584 0.054 0.000 1.075 100 A CA -0.564 51.527 52.037 0.090 0.000 0.746 100 A CB 1.760 20.868 19.000 0.180 0.000 1.221 100 A HN 0.852 nan 8.150 nan 0.000 0.443 101 V N 2.268 122.196 119.914 0.023 0.000 2.925 101 V HA 0.764 4.884 4.120 0.000 0.000 0.311 101 V C -1.021 175.137 176.094 0.106 0.000 1.104 101 V CA -0.501 61.805 62.300 0.010 0.000 0.954 101 V CB 1.698 33.574 31.823 0.088 0.000 1.022 101 V HN 0.986 nan 8.190 nan 0.000 0.427 102 F N 0.846 120.814 119.950 0.030 0.000 2.599 102 F HA 0.879 5.406 4.527 0.000 0.000 0.311 102 F C -0.417 175.393 175.800 0.018 0.000 1.076 102 F CA -0.994 57.012 58.000 0.010 0.000 0.937 102 F CB 2.043 41.028 39.000 -0.025 0.000 1.282 102 F HN 0.363 nan 8.300 nan 0.000 0.460 103 S N 1.513 117.320 115.700 0.179 0.000 2.519 103 S HA 0.393 4.863 4.470 0.000 0.000 0.309 103 S C -0.934 173.795 174.600 0.216 0.000 1.100 103 S CA -0.480 57.805 58.200 0.142 0.000 1.059 103 S CB 1.249 64.460 63.200 0.019 0.000 1.008 103 S HN 0.796 nan 8.310 nan 0.000 0.478 104 Q N 2.405 122.379 119.800 0.291 0.000 2.330 104 Q HA 0.155 4.495 4.340 0.000 0.000 0.279 104 Q C -0.804 175.323 176.000 0.211 0.000 1.024 104 Q CA 0.484 56.470 55.803 0.305 0.000 0.900 104 Q CB 0.540 29.474 28.738 0.325 0.000 1.221 104 Q HN 0.535 nan 8.270 nan 0.000 0.396 105 D N 2.235 122.758 120.400 0.205 0.000 2.329 105 D HA 0.040 4.680 4.640 0.000 0.000 0.232 105 D C -0.181 176.224 176.300 0.174 0.000 1.088 105 D CA -0.306 53.785 54.000 0.150 0.000 0.835 105 D CB 0.576 41.428 40.800 0.088 0.000 1.078 105 D HN 0.516 nan 8.370 nan 0.000 0.495 106 F N 2.819 122.796 119.950 0.046 0.000 2.171 106 F HA -0.214 4.313 4.527 0.000 0.000 0.300 106 F C 2.317 178.129 175.800 0.020 0.000 1.090 106 F CA 2.092 60.114 58.000 0.036 0.000 1.293 106 F CB -0.091 38.920 39.000 0.017 0.000 1.013 106 F HN 0.463 nan 8.300 nan 0.000 0.486 107 T N -1.491 113.137 114.554 0.123 0.000 2.746 107 T HA -0.111 4.239 4.350 0.000 0.000 0.267 107 T C 0.960 175.579 174.700 -0.135 0.000 1.039 107 T CA 1.043 63.156 62.100 0.020 0.000 1.142 107 T CB -1.410 67.488 68.868 0.050 0.000 0.866 107 T HN -0.043 nan 8.240 nan 0.000 0.444 108 V N 2.898 122.721 119.914 -0.152 0.000 2.381 108 V HA 0.293 4.413 4.120 0.000 0.000 0.257 108 V C 0.218 176.183 176.094 -0.215 0.000 1.057 108 V CA -0.361 61.737 62.300 -0.338 0.000 1.013 108 V CB -1.538 30.123 31.823 -0.271 0.000 1.069 108 V HN 0.522 nan 8.190 nan 0.000 0.484 109 F N 2.818 122.692 119.950 -0.126 0.000 2.699 109 F HA -0.194 4.333 4.527 0.000 0.000 0.343 109 F C 1.631 177.280 175.800 -0.252 0.000 0.633 109 F CA 1.306 59.213 58.000 -0.156 0.000 1.365 109 F CB -1.819 37.094 39.000 -0.145 0.000 1.795 109 F HN 0.865 nan 8.300 nan 0.000 0.304 110 G N -0.986 107.660 108.800 -0.256 0.000 2.141 110 G HA2 0.223 4.183 3.960 0.000 0.000 0.242 110 G HA3 0.223 4.183 3.960 0.000 0.000 0.242 110 G C 1.485 176.066 174.900 -0.532 0.000 0.982 110 G CA 0.944 45.641 45.100 -0.672 0.000 0.662 110 G HN 2.091 nan 8.290 nan 0.000 0.527 111 G N -0.612 108.061 108.800 -0.211 0.000 2.323 111 G HA2 0.182 4.142 3.960 0.000 0.000 0.292 111 G HA3 0.182 4.142 3.960 0.000 0.000 0.292 111 G C 0.780 175.583 174.900 -0.162 0.000 1.040 111 G CA 1.096 46.169 45.100 -0.046 0.000 0.942 111 G HN 2.318 nan 8.290 nan 0.000 0.506 112 A N 0.104 122.822 122.820 -0.170 0.000 2.511 112 A HA 0.549 4.869 4.320 0.000 0.000 0.242 112 A C 0.912 178.166 177.584 -0.549 0.000 1.069 112 A CA -0.229 51.652 52.037 -0.260 0.000 0.763 112 A CB 0.516 19.399 19.000 -0.196 0.000 1.001 112 A HN 1.243 nan 8.150 nan 0.000 0.498 113 L N 2.295 123.156 121.223 -0.603 0.000 2.453 113 L HA 0.525 4.865 4.340 0.000 0.000 0.272 113 L C 0.649 177.176 176.870 -0.571 0.000 1.182 113 L CA 1.286 55.603 54.840 -0.873 0.000 0.858 113 L CB 0.334 42.035 42.059 -0.595 0.000 1.120 113 L HN 0.860 nan 8.230 nan 0.000 0.474 114 G N 3.190 111.751 108.800 -0.398 0.000 2.690 114 G HA2 0.311 4.271 3.960 0.000 0.000 0.291 114 G HA3 0.311 4.271 3.960 0.000 0.000 0.291 114 G C 0.246 175.097 174.900 -0.082 0.000 1.403 114 G CA 0.069 45.048 45.100 -0.201 0.000 0.864 114 G HN 0.729 nan 8.290 nan 0.000 0.480 115 E N -0.002 120.155 120.200 -0.072 0.000 2.051 115 E HA -0.148 4.202 4.350 0.000 0.000 0.192 115 E C 2.054 178.662 176.600 0.014 0.000 0.991 115 E CA 1.622 57.997 56.400 -0.042 0.000 0.799 115 E CB -0.024 29.659 29.700 -0.028 0.000 0.748 115 E HN 0.201 nan 8.360 nan 0.000 0.449 116 V N 0.623 120.572 119.914 0.059 0.000 2.343 116 V HA -0.237 3.883 4.120 0.000 0.000 0.247 116 V C 2.194 178.342 176.094 0.091 0.000 1.051 116 V CA 1.970 64.317 62.300 0.080 0.000 1.036 116 V CB -0.723 31.172 31.823 0.120 0.000 0.654 116 V HN 0.451 nan 8.190 nan 0.000 0.451 117 Y N 1.889 122.175 120.300 -0.023 0.000 2.181 117 Y HA -0.101 4.449 4.550 0.000 0.000 0.288 117 Y C 2.272 178.124 175.900 -0.080 0.000 1.146 117 Y CA 1.559 59.640 58.100 -0.032 0.000 1.164 117 Y CB -0.924 37.515 38.460 -0.036 0.000 0.982 117 Y HN 0.181 nan 8.280 nan 0.000 0.515 118 G N -0.121 108.825 108.800 0.243 0.000 2.422 118 G HA2 -0.237 3.723 3.960 0.000 0.000 0.218 118 G HA3 -0.237 3.723 3.960 0.000 0.000 0.218 118 G C 1.506 176.387 174.900 -0.030 0.000 1.146 118 G CA 0.776 45.913 45.100 0.060 0.000 0.769 118 G HN 0.470 nan 8.290 nan 0.000 0.547 119 Q N 0.073 119.862 119.800 -0.018 0.000 2.124 119 Q HA -0.084 4.256 4.340 0.000 0.000 0.202 119 Q C 2.577 178.546 176.000 -0.052 0.000 0.977 119 Q CA 1.076 56.864 55.803 -0.025 0.000 0.850 119 Q CB -0.151 28.585 28.738 -0.003 0.000 0.901 119 Q HN 0.470 nan 8.270 nan 0.000 0.429 120 K N 0.409 120.757 120.400 -0.086 0.000 2.026 120 K HA -0.105 4.215 4.320 0.000 0.000 0.208 120 K C 2.112 178.622 176.600 -0.151 0.000 1.048 120 K CA 1.049 57.259 56.287 -0.129 0.000 0.929 120 K CB -0.112 32.268 32.500 -0.201 0.000 0.713 120 K HN 0.193 nan 8.250 nan 0.000 0.439 121 I N 0.786 121.232 120.570 -0.207 0.000 2.315 121 I HA -0.242 3.928 4.170 0.000 0.000 0.248 121 I C 2.181 178.223 176.117 -0.124 0.000 1.117 121 I CA 0.831 62.001 61.300 -0.217 0.000 1.404 121 I CB -0.274 37.499 38.000 -0.379 0.000 1.071 121 I HN -0.084 nan 8.210 nan 0.000 0.419 122 V N 1.228 121.088 119.914 -0.091 0.000 2.407 122 V HA -0.313 3.807 4.120 0.000 0.000 0.248 122 V C 2.557 178.647 176.094 -0.007 0.000 1.055 122 V CA 1.997 64.272 62.300 -0.042 0.000 1.049 122 V CB -0.780 31.025 31.823 -0.030 0.000 0.662 122 V HN 0.452 nan 8.190 nan 0.000 0.455 123 K N 0.321 120.710 120.400 -0.019 0.000 2.057 123 K HA -0.160 4.160 4.320 0.000 0.000 0.207 123 K C 2.013 178.624 176.600 0.018 0.000 1.049 123 K CA 1.837 58.125 56.287 0.002 0.000 0.931 123 K CB -0.136 32.348 32.500 -0.026 0.000 0.714 123 K HN 0.407 nan 8.250 nan 0.000 0.440 124 V N 1.582 121.481 119.914 -0.025 0.000 2.343 124 V HA -0.270 3.850 4.120 0.000 0.000 0.247 124 V C 2.434 178.592 176.094 0.106 0.000 1.051 124 V CA 1.895 64.190 62.300 -0.008 0.000 1.036 124 V CB -0.587 31.230 31.823 -0.009 0.000 0.654 124 V HN 0.351 nan 8.190 nan 0.000 0.451 125 M N 0.108 119.759 119.600 0.086 0.000 2.159 125 M HA -0.159 4.321 4.480 0.000 0.000 0.263 125 M C 1.981 178.354 176.300 0.122 0.000 1.063 125 M CA 1.769 57.134 55.300 0.108 0.000 1.110 125 M CB -0.776 31.864 32.600 0.067 0.000 1.374 125 M HN 0.304 nan 8.290 nan 0.000 0.411 126 D N 0.460 120.930 120.400 0.116 0.000 2.097 126 D HA -0.150 4.490 4.640 0.000 0.000 0.195 126 D C 1.697 178.078 176.300 0.135 0.000 0.989 126 D CA 1.291 55.359 54.000 0.115 0.000 0.827 126 D CB -0.413 40.450 40.800 0.105 0.000 0.966 126 D HN 0.328 nan 8.370 nan 0.000 0.456 127 F N 1.311 121.280 119.950 0.032 0.000 2.186 127 F HA -0.100 4.427 4.527 0.000 0.000 0.299 127 F C 2.151 177.986 175.800 0.059 0.000 1.090 127 F CA 1.419 59.447 58.000 0.048 0.000 1.307 127 F CB -0.035 38.984 39.000 0.031 0.000 1.019 127 F HN -0.070 nan 8.300 nan 0.000 0.489 128 A N 0.857 123.833 122.820 0.260 0.000 1.858 128 A HA -0.199 4.121 4.320 0.000 0.000 0.216 128 A C 2.279 179.882 177.584 0.032 0.000 1.190 128 A CA 1.835 53.976 52.037 0.173 0.000 0.617 128 A CB -1.302 17.809 19.000 0.186 0.000 0.827 128 A HN 0.599 nan 8.150 nan 0.000 0.443 129 L N -0.729 120.521 121.223 0.045 0.000 2.093 129 L HA -0.157 4.183 4.340 0.000 0.000 0.208 129 L C 2.486 179.330 176.870 -0.044 0.000 1.085 129 L CA 2.278 57.129 54.840 0.019 0.000 0.755 129 L CB -0.306 41.782 42.059 0.047 0.000 0.904 129 L HN 0.491 nan 8.230 nan 0.000 0.435 130 K N -0.808 119.540 120.400 -0.087 0.000 2.002 130 K HA -0.238 4.082 4.320 0.000 0.000 0.209 130 K C 2.144 178.615 176.600 -0.215 0.000 1.048 130 K CA 2.058 58.265 56.287 -0.134 0.000 0.930 130 K CB -0.312 32.111 32.500 -0.128 0.000 0.714 130 K HN 0.428 nan 8.250 nan 0.000 0.438 131 T N -1.867 112.445 114.554 -0.402 0.000 2.821 131 T HA -0.014 4.336 4.350 0.000 0.000 0.267 131 T C 1.121 175.728 174.700 -0.155 0.000 1.046 131 T CA 1.808 63.705 62.100 -0.339 0.000 1.139 131 T CB -0.218 68.324 68.868 -0.544 0.000 0.871 131 T HN 0.571 nan 8.240 nan 0.000 0.454 132 G N 0.245 108.982 108.800 -0.104 0.000 2.141 132 G HA2 -0.130 3.830 3.960 0.000 0.000 0.164 132 G HA3 -0.130 3.830 3.960 0.000 0.000 0.164 132 G C 0.276 175.186 174.900 0.018 0.000 1.009 132 G CA -0.053 45.033 45.100 -0.024 0.000 0.677 132 G HN 1.296 nan 8.290 nan 0.000 0.508 133 C N -1.328 117.989 119.300 0.029 0.000 2.634 133 C HA 0.934 5.394 4.460 0.000 0.000 0.313 133 C C -2.474 172.568 174.990 0.087 0.000 1.198 133 C CA -2.594 56.459 59.018 0.059 0.000 1.605 133 C CB 2.102 29.893 27.740 0.085 0.000 2.196 133 C HN 0.125 nan 8.230 nan 0.000 0.486 134 P HA 0.352 nan 4.420 nan 0.000 0.275 134 P C -0.775 176.574 177.300 0.081 0.000 1.228 134 P CA -0.114 63.024 63.100 0.063 0.000 0.786 134 P CB 0.740 32.439 31.700 -0.002 0.000 0.927 135 V N 3.185 123.160 119.914 0.102 0.000 2.384 135 V HA 0.310 4.430 4.120 0.000 0.000 0.287 135 V C 0.050 176.181 176.094 0.061 0.000 1.020 135 V CA -0.647 61.727 62.300 0.122 0.000 0.850 135 V CB 1.650 33.597 31.823 0.206 0.000 0.987 135 V HN 0.194 nan 8.190 nan 0.000 0.436 136 V N 3.685 123.567 119.914 -0.053 0.000 2.384 136 V HA 0.722 4.842 4.120 0.000 0.000 0.287 136 V C 0.770 176.524 176.094 -0.566 0.000 1.020 136 V CA -0.294 61.907 62.300 -0.166 0.000 0.850 136 V CB 1.656 33.400 31.823 -0.133 0.000 0.987 136 V HN 0.979 nan 8.190 nan 0.000 0.436 137 G N 4.524 113.000 108.800 -0.540 0.000 2.384 137 G HA2 0.656 4.616 3.960 0.000 0.000 0.316 137 G HA3 0.656 4.616 3.960 0.000 0.000 0.316 137 G C -0.740 173.806 174.900 -0.591 0.000 1.160 137 G CA -0.461 43.809 45.100 -1.382 0.000 0.936 137 G HN 0.657 nan 8.290 nan 0.000 0.455 138 I N 2.489 122.651 120.570 -0.680 0.000 2.301 138 I HA 0.121 4.291 4.170 0.000 0.000 0.292 138 I C -0.269 175.979 176.117 0.219 0.000 1.046 138 I CA -0.425 60.818 61.300 -0.095 0.000 1.282 138 I CB 0.892 38.837 38.000 -0.092 0.000 1.409 138 I HN 0.322 nan 8.210 nan 0.000 0.484 139 N N 4.826 123.648 118.700 0.203 0.000 2.444 139 N HA 0.307 5.047 4.740 0.000 0.000 0.262 139 N C -1.024 174.591 175.510 0.176 0.000 0.974 139 N CA -0.390 52.805 53.050 0.241 0.000 0.933 139 N CB 0.923 39.533 38.487 0.206 0.000 1.137 139 N HN 0.426 nan 8.380 nan 0.000 0.498 140 D N 1.018 121.543 120.400 0.208 0.000 2.846 140 D HA 0.196 4.836 4.640 0.000 0.000 0.279 140 D C -1.552 174.933 176.300 0.308 0.000 1.222 140 D CA -0.257 53.877 54.000 0.222 0.000 0.769 140 D CB 0.329 41.247 40.800 0.197 0.000 1.299 140 D HN 0.236 nan 8.370 nan 0.000 0.537 141 S N 0.259 116.094 115.700 0.224 0.000 2.536 141 S HA 0.586 5.056 4.470 0.000 0.000 0.287 141 S C 1.458 176.113 174.600 0.092 0.000 1.101 141 S CA -0.184 58.101 58.200 0.142 0.000 0.950 141 S CB 1.353 64.583 63.200 0.049 0.000 1.056 141 S HN 0.336 nan 8.310 nan 0.000 0.481 142 G N 2.557 111.361 108.800 0.005 0.000 2.469 142 G HA2 0.352 4.312 3.960 0.000 0.000 0.220 142 G HA3 0.352 4.312 3.960 0.000 0.000 0.220 142 G C 0.849 175.762 174.900 0.020 0.000 1.136 142 G CA 0.947 46.057 45.100 0.018 0.000 0.759 142 G HN 1.453 nan 8.290 nan 0.000 0.562 143 G N -1.746 107.045 108.800 -0.015 0.000 2.404 143 G HA2 0.556 4.516 3.960 0.000 0.000 0.253 143 G HA3 0.556 4.516 3.960 0.000 0.000 0.253 143 G C -1.266 173.651 174.900 0.029 0.000 1.253 143 G CA -0.052 45.050 45.100 0.004 0.000 0.917 143 G HN 1.006 nan 8.290 nan 0.000 0.480 144 A N 0.109 122.974 122.820 0.074 0.000 2.274 144 A HA 0.711 5.031 4.320 0.000 0.000 0.309 144 A C 0.665 178.201 177.584 -0.080 0.000 1.226 144 A CA -0.236 51.840 52.037 0.065 0.000 0.853 144 A CB 0.469 19.612 19.000 0.238 0.000 1.146 144 A HN 0.859 nan 8.150 nan 0.000 0.518 145 R N 3.753 124.143 120.500 -0.184 0.000 2.540 145 R HA 0.067 4.407 4.340 0.000 0.000 0.317 145 R C 0.236 176.408 176.300 -0.213 0.000 1.233 145 R CA 0.020 55.981 56.100 -0.231 0.000 1.003 145 R CB -0.538 29.570 30.300 -0.319 0.000 1.034 145 R HN 0.829 nan 8.270 nan 0.000 0.483 146 I N 3.045 123.504 120.570 -0.184 0.000 2.286 146 I HA -0.350 3.820 4.170 0.000 0.000 0.248 146 I C 1.978 177.961 176.117 -0.223 0.000 1.115 146 I CA 1.439 62.639 61.300 -0.166 0.000 1.392 146 I CB -0.091 37.812 38.000 -0.161 0.000 1.065 146 I HN 0.704 nan 8.210 nan 0.000 0.418 147 Q N 0.488 120.112 119.800 -0.293 0.000 2.135 147 Q HA -0.251 4.089 4.340 0.000 0.000 0.204 147 Q C 1.997 177.923 176.000 -0.123 0.000 0.981 147 Q CA 1.495 57.094 55.803 -0.340 0.000 0.856 147 Q CB -0.177 28.364 28.738 -0.328 0.000 0.902 147 Q HN 0.575 nan 8.270 nan 0.000 0.425 148 E N -0.084 120.025 120.200 -0.152 0.000 2.110 148 E HA -0.065 4.285 4.350 0.000 0.000 0.193 148 E C 0.903 177.498 176.600 -0.008 0.000 0.988 148 E CA 0.591 56.938 56.400 -0.088 0.000 0.804 148 E CB 0.025 29.633 29.700 -0.153 0.000 0.745 148 E HN 0.397 nan 8.360 nan 0.000 0.458 149 G N -0.738 108.052 108.800 -0.016 0.000 2.409 149 G HA2 -0.243 3.717 3.960 0.000 0.000 0.421 149 G HA3 -0.243 3.717 3.960 0.000 0.000 0.421 149 G C 0.562 175.454 174.900 -0.014 0.000 1.259 149 G CA -0.388 44.721 45.100 0.015 0.000 1.011 149 G HN 0.009 nan 8.290 nan 0.000 0.497 150 V N 1.093 121.006 119.914 -0.002 0.000 2.688 150 V HA -0.028 4.092 4.120 0.000 0.000 0.256 150 V C 3.354 179.431 176.094 -0.028 0.000 1.084 150 V CA 3.226 65.523 62.300 -0.006 0.000 1.103 150 V CB -1.363 30.461 31.823 0.002 0.000 0.688 150 V HN 1.815 nan 8.190 nan 0.000 0.480 151 A N -0.063 122.732 122.820 -0.041 0.000 1.978 151 A HA -0.227 4.093 4.320 0.000 0.000 0.220 151 A C 2.493 180.016 177.584 -0.101 0.000 1.170 151 A CA 2.211 54.216 52.037 -0.054 0.000 0.636 151 A CB -0.616 18.353 19.000 -0.051 0.000 0.810 151 A HN 0.523 nan 8.150 nan 0.000 0.448 152 S N -0.050 115.568 115.700 -0.137 0.000 2.368 152 S HA -0.100 4.370 4.470 0.000 0.000 0.225 152 S C 1.794 176.244 174.600 -0.250 0.000 1.030 152 S CA 1.489 59.526 58.200 -0.271 0.000 0.999 152 S CB -0.456 62.593 63.200 -0.252 0.000 0.844 152 S HN 0.587 nan 8.310 nan 0.000 0.459 153 L N 0.858 122.067 121.223 -0.022 0.000 2.083 153 L HA -0.035 4.305 4.340 0.000 0.000 0.209 153 L C 2.764 179.690 176.870 0.093 0.000 1.083 153 L CA 1.342 56.256 54.840 0.123 0.000 0.752 153 L CB -1.484 40.635 42.059 0.100 0.000 0.899 153 L HN 0.394 nan 8.230 nan 0.000 0.433 154 G N 0.090 108.901 108.800 0.017 0.000 2.418 154 G HA2 -0.199 3.761 3.960 0.000 0.000 0.217 154 G HA3 -0.199 3.761 3.960 0.000 0.000 0.217 154 G C 1.825 176.716 174.900 -0.014 0.000 1.158 154 G CA 0.855 45.961 45.100 0.009 0.000 0.771 154 G HN 0.454 nan 8.290 nan 0.000 0.545 155 A N 0.041 122.808 122.820 -0.088 0.000 1.902 155 A HA 0.005 4.325 4.320 0.000 0.000 0.217 155 A C 2.245 179.755 177.584 -0.122 0.000 1.181 155 A CA 1.520 53.475 52.037 -0.137 0.000 0.623 155 A CB -0.605 18.254 19.000 -0.236 0.000 0.818 155 A HN 0.355 nan 8.150 nan 0.000 0.443 156 Y N 0.169 120.429 120.300 -0.068 0.000 2.181 156 Y HA -0.059 4.491 4.550 0.000 0.000 0.288 156 Y C 2.797 178.591 175.900 -0.176 0.000 1.146 156 Y CA 0.572 58.566 58.100 -0.177 0.000 1.164 156 Y CB -1.200 37.265 38.460 0.009 0.000 0.982 156 Y HN 0.306 nan 8.280 nan 0.000 0.515 157 G N -0.646 108.310 108.800 0.260 0.000 2.422 157 G HA2 -0.254 3.706 3.960 0.000 0.000 0.218 157 G HA3 -0.254 3.706 3.960 0.000 0.000 0.218 157 G C 1.637 176.600 174.900 0.106 0.000 1.146 157 G CA 1.002 46.268 45.100 0.277 0.000 0.769 157 G HN 0.227 nan 8.290 nan 0.000 0.547 158 E N 0.669 120.885 120.200 0.027 0.000 2.077 158 E HA -0.083 4.267 4.350 0.000 0.000 0.193 158 E C 2.645 179.223 176.600 -0.036 0.000 0.989 158 E CA 0.530 56.925 56.400 -0.008 0.000 0.800 158 E CB -0.286 29.400 29.700 -0.023 0.000 0.746 158 E HN 0.568 nan 8.360 nan 0.000 0.452 159 I N -0.505 120.004 120.570 -0.102 0.000 2.202 159 I HA -0.228 3.942 4.170 0.000 0.000 0.242 159 I C 1.961 177.998 176.117 -0.134 0.000 1.091 159 I CA 0.913 62.109 61.300 -0.173 0.000 1.368 159 I CB -0.557 37.262 38.000 -0.301 0.000 1.058 159 I HN 0.006 nan 8.210 nan 0.000 0.410 160 F N 1.308 121.260 119.950 0.004 0.000 2.134 160 F HA -0.146 4.381 4.527 0.000 0.000 0.299 160 F C 2.760 178.518 175.800 -0.071 0.000 1.097 160 F CA 1.319 59.304 58.000 -0.025 0.000 1.264 160 F CB -0.786 38.184 39.000 -0.052 0.000 1.001 160 F HN -0.001 nan 8.300 nan 0.000 0.479 161 R N 1.055 121.597 120.500 0.071 0.000 2.081 161 R HA -0.144 4.196 4.340 0.000 0.000 0.235 161 R C 2.262 178.422 176.300 -0.233 0.000 1.131 161 R CA 1.434 57.461 56.100 -0.121 0.000 0.960 161 R CB -0.230 29.987 30.300 -0.138 0.000 0.856 161 R HN 0.228 nan 8.270 nan 0.000 0.436 162 R N 0.189 120.638 120.500 -0.084 0.000 2.092 162 R HA -0.065 4.275 4.340 0.000 0.000 0.231 162 R C 2.054 178.401 176.300 0.077 0.000 1.119 162 R CA 1.704 57.813 56.100 0.014 0.000 0.970 162 R CB -0.602 29.721 30.300 0.038 0.000 0.864 162 R HN 0.461 nan 8.270 nan 0.000 0.440 163 N N -0.045 118.697 118.700 0.071 0.000 2.120 163 N HA -0.123 4.617 4.740 0.000 0.000 0.188 163 N C 1.508 177.084 175.510 0.110 0.000 1.024 163 N CA 1.838 54.952 53.050 0.107 0.000 0.852 163 N CB -0.091 38.476 38.487 0.133 0.000 1.003 163 N HN 0.163 nan 8.380 nan 0.000 0.424 164 T N -0.203 114.400 114.554 0.083 0.000 2.746 164 T HA -0.141 4.209 4.350 0.000 0.000 0.267 164 T C 1.420 176.205 174.700 0.141 0.000 1.039 164 T CA 1.185 63.327 62.100 0.070 0.000 1.142 164 T CB -0.369 68.502 68.868 0.004 0.000 0.866 164 T HN 0.289 nan 8.240 nan 0.000 0.444 165 H N 1.290 120.388 119.070 0.047 0.000 2.321 165 H HA 0.239 4.795 4.556 0.000 0.000 0.300 165 H C 2.319 177.668 175.328 0.035 0.000 1.087 165 H CA 1.066 57.136 56.048 0.037 0.000 1.319 165 H CB -0.615 29.170 29.762 0.038 0.000 1.379 165 H HN 0.413 nan 8.280 nan 0.000 0.501 166 A N -0.111 122.818 122.820 0.181 0.000 2.275 166 A HA 0.099 4.419 4.320 0.000 0.000 0.212 166 A C 1.226 178.867 177.584 0.096 0.000 1.201 166 A CA 0.205 52.313 52.037 0.118 0.000 0.843 166 A CB -0.140 18.936 19.000 0.125 0.000 0.873 166 A HN 0.236 nan 8.150 nan 0.000 0.492 167 S N -0.301 115.451 115.700 0.088 0.000 2.537 167 S HA 0.390 4.860 4.470 0.000 0.000 0.286 167 S C 1.466 176.054 174.600 -0.020 0.000 1.299 167 S CA 0.840 59.072 58.200 0.055 0.000 1.067 167 S CB 0.064 63.291 63.200 0.046 0.000 0.864 167 S HN 1.796 nan 8.310 nan 0.000 0.494 168 G N 2.926 111.666 108.800 -0.101 0.000 2.189 168 G HA2 -0.249 3.711 3.960 0.000 0.000 0.267 168 G HA3 -0.249 3.711 3.960 0.000 0.000 0.267 168 G C 0.631 175.344 174.900 -0.312 0.000 0.975 168 G CA 0.499 45.395 45.100 -0.341 0.000 0.644 168 G HN 0.830 nan 8.290 nan 0.000 0.537 169 V N 0.721 120.585 119.914 -0.083 0.000 2.690 169 V HA 0.403 4.523 4.120 0.000 0.000 0.240 169 V C 1.310 177.495 176.094 0.151 0.000 1.078 169 V CA 1.692 63.997 62.300 0.008 0.000 1.102 169 V CB 0.064 31.903 31.823 0.027 0.000 0.800 169 V HN 0.777 nan 8.190 nan 0.000 0.479 170 I N -2.080 118.625 120.570 0.225 0.000 2.647 170 I HA 0.607 4.777 4.170 0.000 0.000 0.295 170 I C -3.173 173.184 176.117 0.400 0.000 1.078 170 I CA -2.702 58.786 61.300 0.313 0.000 1.048 170 I CB 2.397 40.500 38.000 0.171 0.000 1.239 170 I HN -0.050 nan 8.210 nan 0.000 0.421 171 P HA 0.168 nan 4.420 nan 0.000 0.267 171 P C -1.332 176.093 177.300 0.208 0.000 1.205 171 P CA 0.168 63.426 63.100 0.264 0.000 0.765 171 P CB 0.513 32.065 31.700 -0.248 0.000 0.828 172 Q N 2.620 122.574 119.800 0.257 0.000 2.325 172 Q HA 0.500 4.840 4.340 0.000 0.000 0.262 172 Q C -0.628 175.499 176.000 0.212 0.000 0.968 172 Q CA -0.566 55.360 55.803 0.206 0.000 0.877 172 Q CB 1.273 30.132 28.738 0.201 0.000 1.253 172 Q HN 0.377 nan 8.270 nan 0.000 0.448 173 I N 1.423 122.086 120.570 0.155 0.000 2.362 173 I HA 0.187 4.357 4.170 0.000 0.000 0.289 173 I C -0.288 175.901 176.117 0.120 0.000 0.994 173 I CA -0.035 61.355 61.300 0.150 0.000 1.158 173 I CB 2.045 40.093 38.000 0.080 0.000 1.315 173 I HN 0.422 nan 8.210 nan 0.000 0.451 174 S N 6.635 122.425 115.700 0.151 0.000 2.422 174 S HA 0.495 4.965 4.470 0.000 0.000 0.298 174 S C -0.570 174.094 174.600 0.106 0.000 1.118 174 S CA -0.420 57.864 58.200 0.140 0.000 1.083 174 S CB 0.684 63.985 63.200 0.167 0.000 0.971 174 S HN 0.403 nan 8.310 nan 0.000 0.478 175 L N 6.297 127.553 121.223 0.055 0.000 2.272 175 L HA 0.578 4.918 4.340 0.000 0.000 0.289 175 L C -0.954 175.951 176.870 0.058 0.000 1.032 175 L CA -0.244 54.624 54.840 0.047 0.000 0.810 175 L CB 0.934 42.998 42.059 0.009 0.000 1.205 175 L HN 0.376 nan 8.230 nan 0.000 0.422 176 V N 6.368 126.320 119.914 0.064 0.000 2.347 176 V HA 0.275 4.395 4.120 0.000 0.000 0.280 176 V C 0.788 176.904 176.094 0.037 0.000 1.021 176 V CA -0.070 62.269 62.300 0.064 0.000 0.847 176 V CB 1.238 33.099 31.823 0.063 0.000 0.990 176 V HN 0.721 nan 8.190 nan 0.000 0.444 177 V N 1.483 121.416 119.914 0.032 0.000 3.645 177 V HA 0.629 4.749 4.120 0.000 0.000 0.275 177 V C 0.770 176.858 176.094 -0.010 0.000 1.356 177 V CA 0.635 62.936 62.300 0.001 0.000 1.051 177 V CB 0.234 32.052 31.823 -0.008 0.000 0.828 177 V HN 0.800 nan 8.190 nan 0.000 0.441 178 G N 1.100 109.919 108.800 0.033 0.000 2.612 178 G HA2 0.657 4.617 3.960 0.000 0.000 0.298 178 G HA3 0.657 4.617 3.960 0.000 0.000 0.298 178 G C -3.358 171.617 174.900 0.124 0.000 1.336 178 G CA -1.797 43.334 45.100 0.052 0.000 0.953 178 G HN 0.028 nan 8.290 nan 0.000 0.482 179 P HA 0.192 nan 4.420 nan 0.000 0.264 179 P C -0.148 177.207 177.300 0.092 0.000 1.183 179 P CA 0.034 63.255 63.100 0.202 0.000 0.763 179 P CB 1.036 32.879 31.700 0.238 0.000 0.807 180 C N 3.629 122.907 119.300 -0.037 0.000 2.346 180 C HA 0.852 5.312 4.460 0.000 0.000 0.326 180 C C -0.663 174.058 174.990 -0.448 0.000 1.224 180 C CA -0.125 58.809 59.018 -0.139 0.000 1.408 180 C CB -0.144 27.564 27.740 -0.054 0.000 2.089 180 C HN 0.714 nan 8.230 nan 0.000 0.456 181 A N 4.816 127.340 122.820 -0.493 0.000 2.486 181 A HA 1.012 5.332 4.320 0.000 0.000 0.300 181 A C 0.127 177.554 177.584 -0.262 0.000 1.048 181 A CA 0.484 52.060 52.037 -0.767 0.000 0.696 181 A CB 1.089 18.934 19.000 -1.925 0.000 1.278 181 A HN 2.934 nan 8.150 nan 0.000 0.405 182 G N 0.065 108.777 108.800 -0.147 0.000 2.483 182 G HA2 0.365 4.325 3.960 0.000 0.000 0.521 182 G HA3 0.365 4.325 3.960 0.000 0.000 0.521 182 G C 0.909 175.791 174.900 -0.029 0.000 1.278 182 G CA 0.267 45.347 45.100 -0.033 0.000 0.965 182 G HN 1.992 nan 8.290 nan 0.000 0.504 183 G N -0.000 108.826 108.800 0.044 0.000 2.498 183 G HA2 0.284 4.244 3.960 0.000 0.000 0.219 183 G HA3 0.284 4.244 3.960 0.000 0.000 0.219 183 G C 2.091 177.084 174.900 0.155 0.000 1.119 183 G CA 2.546 47.806 45.100 0.266 0.000 0.766 183 G HN 2.050 nan 8.290 nan 0.000 0.552 184 A N 0.733 123.399 122.820 -0.256 0.000 2.042 184 A HA -0.081 4.239 4.320 0.000 0.000 0.222 184 A C 2.709 180.242 177.584 -0.085 0.000 1.167 184 A CA 2.335 54.111 52.037 -0.435 0.000 0.649 184 A CB -0.729 18.044 19.000 -0.379 0.000 0.809 184 A HN 1.043 nan 8.150 nan 0.000 0.457 185 V N -3.164 116.708 119.914 -0.071 0.000 2.490 185 V HA -0.283 3.837 4.120 0.000 0.000 0.250 185 V C 2.119 178.216 176.094 0.004 0.000 1.061 185 V CA 2.112 64.354 62.300 -0.098 0.000 1.064 185 V CB -1.254 30.436 31.823 -0.222 0.000 0.670 185 V HN 0.545 nan 8.190 nan 0.000 0.461 186 Y N 1.280 121.626 120.300 0.076 0.000 2.207 186 Y HA -0.167 4.383 4.550 0.000 0.000 0.287 186 Y C 3.203 179.265 175.900 0.271 0.000 1.156 186 Y CA 2.245 60.360 58.100 0.025 0.000 1.182 186 Y CB -0.563 37.610 38.460 -0.479 0.000 0.979 186 Y HN 0.394 nan 8.280 nan 0.000 0.521 187 S N -0.273 115.844 115.700 0.696 0.000 2.368 187 S HA -0.093 4.377 4.470 0.000 0.000 0.225 187 S C -0.611 174.114 174.600 0.208 0.000 1.030 187 S CA 1.305 59.749 58.200 0.406 0.000 0.999 187 S CB -1.055 62.126 63.200 -0.031 0.000 0.844 187 S HN 0.197 nan 8.310 nan 0.000 0.459 188 P HA 0.088 nan 4.420 nan 0.000 0.218 188 P C 1.404 178.768 177.300 0.106 0.000 1.149 188 P CA 1.320 64.497 63.100 0.129 0.000 0.817 188 P CB -0.234 31.522 31.700 0.093 0.000 0.785 189 A N -0.245 122.622 122.820 0.078 0.000 1.902 189 A HA -0.183 4.137 4.320 0.000 0.000 0.217 189 A C 2.185 179.810 177.584 0.067 0.000 1.181 189 A CA 1.372 53.428 52.037 0.033 0.000 0.623 189 A CB -1.551 17.430 19.000 -0.032 0.000 0.818 189 A HN 0.100 nan 8.150 nan 0.000 0.443 190 I N 0.011 120.651 120.570 0.117 0.000 2.226 190 I HA -0.136 4.034 4.170 0.000 0.000 0.245 190 I C 0.749 176.921 176.117 0.092 0.000 1.100 190 I CA 0.726 62.090 61.300 0.105 0.000 1.374 190 I CB -1.091 36.998 38.000 0.148 0.000 1.057 190 I HN 0.165 nan 8.210 nan 0.000 0.413 191 T N 1.562 116.186 114.554 0.116 0.000 2.940 191 T HA -0.050 4.301 4.350 0.000 0.000 0.309 191 T C 0.826 175.568 174.700 0.070 0.000 1.056 191 T CA -0.216 61.957 62.100 0.121 0.000 1.137 191 T CB 0.821 69.783 68.868 0.156 0.000 0.976 191 T HN 0.159 nan 8.240 nan 0.000 0.547 192 D N 0.930 121.357 120.400 0.046 0.000 2.144 192 D HA 0.004 4.644 4.640 0.000 0.000 0.199 192 D C 0.148 176.073 176.300 -0.625 0.000 0.984 192 D CA 1.469 55.356 54.000 -0.189 0.000 0.834 192 D CB -0.004 40.785 40.800 -0.019 0.000 0.955 192 D HN 0.471 nan 8.370 nan 0.000 0.465 193 F N -0.889 118.986 119.950 -0.125 0.000 2.576 193 F HA 0.423 4.950 4.527 0.000 0.000 0.313 193 F C 0.030 175.776 175.800 -0.089 0.000 1.078 193 F CA -0.835 56.860 58.000 -0.509 0.000 0.921 193 F CB 2.314 41.122 39.000 -0.319 0.000 1.232 193 F HN -0.504 nan 8.300 nan 0.000 0.459 194 T N 2.345 117.140 114.554 0.402 0.000 2.848 194 T HA 0.693 5.043 4.350 0.000 0.000 0.285 194 T C -1.137 173.732 174.700 0.281 0.000 0.995 194 T CA -0.642 61.669 62.100 0.352 0.000 0.970 194 T CB 1.858 70.893 68.868 0.279 0.000 0.976 194 T HN 0.306 nan 8.240 nan 0.000 0.441 195 V N 4.885 124.895 119.914 0.159 0.000 2.656 195 V HA 0.729 4.849 4.120 0.000 0.000 0.307 195 V C -0.347 175.795 176.094 0.081 0.000 1.051 195 V CA -0.920 61.446 62.300 0.110 0.000 0.893 195 V CB 1.743 33.601 31.823 0.058 0.000 0.999 195 V HN 0.964 nan 8.190 nan 0.000 0.426 196 M N 4.344 123.986 119.600 0.071 0.000 2.593 196 M HA 0.933 5.413 4.480 0.000 0.000 0.290 196 M C -1.171 175.141 176.300 0.019 0.000 1.244 196 M CA -0.994 54.327 55.300 0.034 0.000 0.857 196 M CB 2.344 34.957 32.600 0.022 0.000 1.738 196 M HN 0.362 nan 8.290 nan 0.000 0.461 197 V N -1.159 118.746 119.914 -0.015 0.000 2.495 197 V HA 0.529 4.649 4.120 0.000 0.000 0.298 197 V C -0.803 175.249 176.094 -0.070 0.000 1.031 197 V CA -0.535 61.751 62.300 -0.024 0.000 0.871 197 V CB 1.444 33.259 31.823 -0.013 0.000 0.988 197 V HN 0.962 nan 8.190 nan 0.000 0.432 198 D N 3.409 123.774 120.400 -0.059 0.000 2.458 198 D HA 0.134 4.774 4.640 0.000 0.000 0.243 198 D C 0.772 177.021 176.300 -0.085 0.000 1.146 198 D CA 0.943 54.900 54.000 -0.071 0.000 0.877 198 D CB 0.506 41.277 40.800 -0.048 0.000 1.176 198 D HN 0.843 nan 8.370 nan 0.000 0.461 199 Q N 1.440 121.164 119.800 -0.127 0.000 2.468 199 Q HA -0.256 4.084 4.340 0.000 0.000 0.256 199 Q C 0.251 176.210 176.000 -0.068 0.000 0.984 199 Q CA 1.326 57.093 55.803 -0.059 0.000 1.110 199 Q CB -1.416 27.337 28.738 0.025 0.000 1.527 199 Q HN 0.660 nan 8.270 nan 0.000 0.535 200 T N -2.212 112.236 114.554 -0.178 0.000 2.964 200 T HA 0.084 4.434 4.350 0.000 0.000 0.250 200 T C 0.274 174.859 174.700 -0.192 0.000 0.982 200 T CA 0.587 62.617 62.100 -0.116 0.000 0.959 200 T CB 0.646 69.469 68.868 -0.074 0.000 1.141 200 T HN 0.353 nan 8.240 nan 0.000 0.494 201 S N 1.737 117.218 115.700 -0.365 0.000 2.502 201 S HA 0.698 5.168 4.470 0.000 0.000 0.304 201 S C -1.463 172.869 174.600 -0.446 0.000 1.097 201 S CA -0.712 57.335 58.200 -0.254 0.000 1.045 201 S CB 1.087 64.233 63.200 -0.090 0.000 1.019 201 S HN 0.374 nan 8.310 nan 0.000 0.481 202 H N 1.742 120.891 119.070 0.132 0.000 2.717 202 H HA 0.616 5.172 4.556 0.000 0.000 0.366 202 H C -0.805 174.695 175.328 0.286 0.000 1.132 202 H CA -0.630 55.557 56.048 0.231 0.000 1.180 202 H CB 1.718 31.650 29.762 0.282 0.000 1.678 202 H HN 0.588 nan 8.280 nan 0.000 0.537 203 M N 3.696 123.592 119.600 0.495 0.000 2.259 203 M HA 0.483 4.963 4.480 0.000 0.000 0.304 203 M C -1.715 174.902 176.300 0.530 0.000 1.019 203 M CA -0.753 54.779 55.300 0.387 0.000 0.922 203 M CB 1.411 34.189 32.600 0.298 0.000 1.600 203 M HN 0.660 nan 8.290 nan 0.000 0.433 204 F N 1.583 121.649 119.950 0.193 0.000 2.678 204 F HA 0.521 5.048 4.527 0.000 0.000 0.308 204 F C -0.616 175.214 175.800 0.049 0.000 1.118 204 F CA -1.047 57.026 58.000 0.120 0.000 0.959 204 F CB 0.576 39.645 39.000 0.115 0.000 1.305 204 F HN 0.409 nan 8.300 nan 0.000 0.443 205 I N 1.016 121.704 120.570 0.197 0.000 2.731 205 I HA 0.295 4.465 4.170 0.000 0.000 0.260 205 I C 0.156 176.381 176.117 0.181 0.000 1.138 205 I CA 0.838 62.185 61.300 0.077 0.000 1.461 205 I CB 0.180 38.173 38.000 -0.012 0.000 1.128 205 I HN 0.703 nan 8.210 nan 0.000 0.438 206 T N 0.870 115.571 114.554 0.245 0.000 2.928 206 T HA 0.670 5.020 4.350 0.000 0.000 0.296 206 T C 0.036 174.821 174.700 0.141 0.000 1.000 206 T CA -0.428 61.783 62.100 0.185 0.000 0.989 206 T CB 1.303 70.218 68.868 0.078 0.000 1.005 206 T HN 0.290 nan 8.240 nan 0.000 0.442 207 G N 2.379 111.243 108.800 0.106 0.000 2.634 207 G HA2 0.413 4.373 3.960 0.000 0.000 0.255 207 G HA3 0.413 4.373 3.960 0.000 0.000 0.255 207 G C -1.657 173.074 174.900 -0.281 0.000 1.205 207 G CA -1.458 43.553 45.100 -0.148 0.000 0.884 207 G HN 0.393 nan 8.290 nan 0.000 0.549 208 P HA -0.090 nan 4.420 nan 0.000 0.215 208 P C 1.440 178.579 177.300 -0.268 0.000 1.153 208 P CA 1.553 64.358 63.100 -0.492 0.000 0.853 208 P CB 0.119 31.352 31.700 -0.777 0.000 0.788 209 D N -0.505 119.776 120.400 -0.198 0.000 2.117 209 D HA -0.106 4.534 4.640 0.000 0.000 0.197 209 D C 1.814 178.065 176.300 -0.082 0.000 0.987 209 D CA 1.203 55.137 54.000 -0.111 0.000 0.829 209 D CB -0.995 39.771 40.800 -0.058 0.000 0.961 209 D HN 0.069 nan 8.370 nan 0.000 0.460 210 V N 2.877 122.750 119.914 -0.069 0.000 2.358 210 V HA -0.228 3.892 4.120 0.000 0.000 0.246 210 V C 2.854 178.918 176.094 -0.049 0.000 1.047 210 V CA 1.552 63.827 62.300 -0.041 0.000 1.035 210 V CB -0.868 30.948 31.823 -0.013 0.000 0.658 210 V HN 0.297 nan 8.190 nan 0.000 0.452 211 I N 0.541 121.067 120.570 -0.072 0.000 2.208 211 I HA -0.272 3.898 4.170 0.000 0.000 0.245 211 I C 2.489 178.569 176.117 -0.062 0.000 1.097 211 I CA 2.514 63.775 61.300 -0.066 0.000 1.363 211 I CB -0.801 37.144 38.000 -0.091 0.000 1.051 211 I HN 0.386 nan 8.210 nan 0.000 0.413 212 K N 2.205 122.559 120.400 -0.076 0.000 2.057 212 K HA -0.168 4.152 4.320 0.000 0.000 0.206 212 K C 2.155 178.727 176.600 -0.047 0.000 1.050 212 K CA 2.307 58.554 56.287 -0.067 0.000 0.935 212 K CB -0.746 31.705 32.500 -0.081 0.000 0.715 212 K HN 0.570 nan 8.250 nan 0.000 0.439 213 T N -1.155 113.374 114.554 -0.041 0.000 2.746 213 T HA -0.081 4.269 4.350 0.000 0.000 0.267 213 T C 1.925 176.610 174.700 -0.025 0.000 1.039 213 T CA 1.536 63.619 62.100 -0.029 0.000 1.142 213 T CB -0.332 68.522 68.868 -0.023 0.000 0.866 213 T HN 0.087 nan 8.240 nan 0.000 0.444 214 V N 0.208 120.107 119.914 -0.026 0.000 3.661 214 V HA 0.200 4.320 4.120 0.000 0.000 0.271 214 V C 2.362 178.443 176.094 -0.022 0.000 1.315 214 V CA 0.906 63.194 62.300 -0.020 0.000 1.072 214 V CB 0.191 32.005 31.823 -0.015 0.000 0.830 214 V HN 0.479 nan 8.190 nan 0.000 0.443 215 T N -0.701 113.836 114.554 -0.029 0.000 2.990 215 T HA 0.334 4.684 4.350 0.000 0.000 0.250 215 T C 1.674 176.356 174.700 -0.031 0.000 1.041 215 T CA 1.077 63.159 62.100 -0.030 0.000 1.010 215 T CB 0.644 69.491 68.868 -0.036 0.000 1.003 215 T HN 0.628 nan 8.240 nan 0.000 0.499 216 G N 2.588 111.368 108.800 -0.034 0.000 2.779 216 G HA2 -0.338 3.622 3.960 0.000 0.000 0.230 216 G HA3 -0.338 3.622 3.960 0.000 0.000 0.230 216 G C 0.184 175.058 174.900 -0.043 0.000 1.243 216 G CA 0.546 45.626 45.100 -0.035 0.000 0.769 216 G HN 0.709 nan 8.290 nan 0.000 0.516 217 E N 1.831 122.003 120.200 -0.046 0.000 2.442 217 E HA 0.407 4.757 4.350 0.000 0.000 0.262 217 E C -1.100 175.457 176.600 -0.073 0.000 1.004 217 E CA 0.226 56.594 56.400 -0.054 0.000 0.928 217 E CB 0.657 30.326 29.700 -0.052 0.000 0.937 217 E HN 0.294 nan 8.360 nan 0.000 0.446 218 D N 2.399 122.754 120.400 -0.074 0.000 2.308 218 D HA 0.385 5.025 4.640 0.000 0.000 0.242 218 D C -0.862 175.373 176.300 -0.108 0.000 1.059 218 D CA -0.427 53.518 54.000 -0.092 0.000 0.830 218 D CB 1.902 42.658 40.800 -0.073 0.000 1.161 218 D HN 0.247 nan 8.370 nan 0.000 0.494 219 V N 0.550 120.371 119.914 -0.154 0.000 3.049 219 V HA 0.836 4.956 4.120 0.000 0.000 0.309 219 V C 0.465 176.396 176.094 -0.272 0.000 1.148 219 V CA -0.961 61.225 62.300 -0.189 0.000 0.990 219 V CB 2.387 34.086 31.823 -0.207 0.000 1.039 219 V HN 0.574 nan 8.190 nan 0.000 0.430 220 G N -0.115 108.527 108.800 -0.262 0.000 2.537 220 G HA2 0.605 4.565 3.960 0.000 0.000 0.308 220 G HA3 0.605 4.565 3.960 0.000 0.000 0.308 220 G C -0.201 174.502 174.900 -0.328 0.000 1.237 220 G CA -0.491 44.426 45.100 -0.305 0.000 0.968 220 G HN 0.464 nan 8.290 nan 0.000 0.481 221 F N -0.221 119.598 119.950 -0.218 0.000 2.134 221 F HA -0.026 4.501 4.527 0.000 0.000 0.299 221 F C 2.601 178.344 175.800 -0.096 0.000 1.097 221 F CA 1.447 59.286 58.000 -0.268 0.000 1.264 221 F CB -0.002 38.706 39.000 -0.486 0.000 1.001 221 F HN 0.465 nan 8.300 nan 0.000 0.479 222 E N 0.696 120.983 120.200 0.146 0.000 2.058 222 E HA -0.247 4.103 4.350 0.000 0.000 0.194 222 E C 2.115 178.754 176.600 0.065 0.000 0.997 222 E CA 1.675 58.184 56.400 0.182 0.000 0.801 222 E CB -0.327 29.449 29.700 0.128 0.000 0.746 222 E HN 0.554 nan 8.360 nan 0.000 0.450 223 E N -0.595 119.603 120.200 -0.004 0.000 2.046 223 E HA -0.175 4.175 4.350 0.000 0.000 0.190 223 E C 2.108 178.656 176.600 -0.087 0.000 0.982 223 E CA 1.046 57.416 56.400 -0.050 0.000 0.800 223 E CB -0.242 29.420 29.700 -0.062 0.000 0.756 223 E HN 0.258 nan 8.360 nan 0.000 0.449 224 L N 0.230 121.374 121.223 -0.131 0.000 1.994 224 L HA 0.073 4.413 4.340 0.000 0.000 0.208 224 L C 1.274 178.069 176.870 -0.125 0.000 1.071 224 L CA 2.418 57.167 54.840 -0.152 0.000 0.745 224 L CB -0.273 41.629 42.059 -0.261 0.000 0.892 224 L HN 0.181 nan 8.230 nan 0.000 0.431 225 G N -0.521 108.231 108.800 -0.079 0.000 4.341 225 G HA2 0.493 4.453 3.960 0.000 0.000 0.251 225 G HA3 0.493 4.453 3.960 0.000 0.000 0.251 225 G C 0.013 174.925 174.900 0.020 0.000 1.036 225 G CA -0.008 45.002 45.100 -0.150 0.000 0.708 225 G HN 0.611 nan 8.290 nan 0.000 0.510 226 G N -0.314 108.492 108.800 0.010 0.000 2.537 226 G HA2 0.555 4.515 3.960 0.000 0.000 0.273 226 G HA3 0.555 4.515 3.960 0.000 0.000 0.273 226 G C 1.175 176.066 174.900 -0.015 0.000 1.189 226 G CA 0.342 45.509 45.100 0.111 0.000 0.881 226 G HN 0.713 nan 8.290 nan 0.000 0.535 227 A N 0.599 123.400 122.820 -0.032 0.000 1.898 227 A HA -0.041 4.279 4.320 0.000 0.000 0.216 227 A C 2.326 179.901 177.584 -0.015 0.000 1.181 227 A CA 1.772 53.791 52.037 -0.030 0.000 0.620 227 A CB -0.423 18.519 19.000 -0.097 0.000 0.819 227 A HN 0.657 nan 8.150 nan 0.000 0.442 228 R N -0.817 119.667 120.500 -0.027 0.000 2.073 228 R HA -0.114 4.226 4.340 0.000 0.000 0.234 228 R C 2.197 178.490 176.300 -0.010 0.000 1.134 228 R CA 2.136 58.221 56.100 -0.025 0.000 0.952 228 R CB -0.521 29.768 30.300 -0.019 0.000 0.850 228 R HN 0.525 nan 8.270 nan 0.000 0.433 229 T N -0.019 114.521 114.554 -0.023 0.000 2.821 229 T HA -0.104 4.246 4.350 0.000 0.000 0.267 229 T C 1.475 176.148 174.700 -0.046 0.000 1.046 229 T CA 1.078 63.151 62.100 -0.044 0.000 1.139 229 T CB -0.337 68.482 68.868 -0.082 0.000 0.871 229 T HN 0.324 nan 8.240 nan 0.000 0.454 230 H N 1.210 120.259 119.070 -0.035 0.000 2.319 230 H HA 0.010 4.566 4.556 0.000 0.000 0.299 230 H C 2.406 177.655 175.328 -0.131 0.000 1.092 230 H CA 1.319 57.316 56.048 -0.085 0.000 1.302 230 H CB -0.557 29.164 29.762 -0.069 0.000 1.373 230 H HN 0.358 nan 8.280 nan 0.000 0.497 231 N N -0.342 118.380 118.700 0.036 0.000 2.058 231 N HA -0.130 4.610 4.740 0.000 0.000 0.191 231 N C 2.202 177.710 175.510 -0.004 0.000 1.037 231 N CA 1.495 54.528 53.050 -0.029 0.000 0.848 231 N CB 0.048 38.506 38.487 -0.048 0.000 1.021 231 N HN 0.022 nan 8.380 nan 0.000 0.422 232 S N -1.562 114.160 115.700 0.037 0.000 2.355 232 S HA -0.077 4.393 4.470 0.000 0.000 0.222 232 S C 1.689 176.418 174.600 0.215 0.000 1.031 232 S CA 1.853 60.122 58.200 0.116 0.000 0.993 232 S CB -0.265 62.977 63.200 0.071 0.000 0.859 232 S HN 0.633 nan 8.310 nan 0.000 0.453 233 T N -1.066 113.547 114.554 0.098 0.000 3.114 233 T HA 0.103 4.453 4.350 0.000 0.000 0.240 233 T C 2.078 176.805 174.700 0.045 0.000 0.983 233 T CA 0.767 62.941 62.100 0.123 0.000 1.151 233 T CB -0.793 68.113 68.868 0.064 0.000 0.974 233 T HN 0.401 nan 8.240 nan 0.000 0.442 234 S N 1.791 117.466 115.700 -0.043 0.000 2.382 234 S HA 0.212 4.682 4.470 0.000 0.000 0.228 234 S C 2.251 176.645 174.600 -0.342 0.000 1.027 234 S CA 1.259 59.410 58.200 -0.080 0.000 0.991 234 S CB -1.247 61.998 63.200 0.074 0.000 0.823 234 S HN 1.516 nan 8.310 nan 0.000 0.469 235 G N 0.018 108.387 108.800 -0.718 0.000 2.179 235 G HA2 -0.311 3.649 3.960 0.000 0.000 0.260 235 G HA3 -0.311 3.649 3.960 0.000 0.000 0.260 235 G C 0.776 175.249 174.900 -0.712 0.000 0.977 235 G CA 0.649 44.925 45.100 -1.372 0.000 0.641 235 G HN 1.103 nan 8.290 nan 0.000 0.533 236 V N 0.615 120.258 119.914 -0.451 0.000 2.295 236 V HA 0.412 4.532 4.120 0.000 0.000 0.246 236 V C 2.032 177.863 176.094 -0.437 0.000 1.049 236 V CA 2.544 64.599 62.300 -0.409 0.000 1.024 236 V CB -0.485 31.054 31.823 -0.473 0.000 0.648 236 V HN 1.664 nan 8.190 nan 0.000 0.447 237 A N -1.016 121.585 122.820 -0.366 0.000 2.386 237 A HA 0.347 4.667 4.320 0.000 0.000 0.248 237 A C 0.497 177.892 177.584 -0.314 0.000 1.082 237 A CA 0.435 52.332 52.037 -0.235 0.000 0.789 237 A CB -0.058 18.886 19.000 -0.093 0.000 1.025 237 A HN 0.749 nan 8.150 nan 0.000 0.490 238 H N -1.307 117.770 119.070 0.012 0.000 2.648 238 H HA 0.275 4.831 4.556 0.000 0.000 0.265 238 H C 0.115 175.466 175.328 0.038 0.000 0.961 238 H CA 1.255 57.349 56.048 0.076 0.000 1.185 238 H CB 0.322 30.215 29.762 0.218 0.000 1.449 238 H HN 0.880 nan 8.280 nan 0.000 0.523 239 H N -0.909 118.132 119.070 -0.049 0.000 2.987 239 H HA 0.389 4.945 4.556 0.000 0.000 0.316 239 H C -1.768 173.489 175.328 -0.117 0.000 1.380 239 H CA -0.894 55.048 56.048 -0.175 0.000 1.160 239 H CB 1.153 30.647 29.762 -0.446 0.000 1.865 239 H HN 0.017 nan 8.280 nan 0.000 0.521 240 M N 2.683 121.737 119.600 -0.910 0.000 2.326 240 M HA 0.759 5.239 4.480 0.000 0.000 0.306 240 M C -1.677 174.342 176.300 -0.469 0.000 1.054 240 M CA -0.669 54.342 55.300 -0.481 0.000 0.922 240 M CB 1.719 34.125 32.600 -0.323 0.000 1.632 240 M HN 0.691 nan 8.290 nan 0.000 0.436 241 A N 2.745 125.571 122.820 0.010 0.000 2.365 241 A HA 0.703 5.023 4.320 0.000 0.000 0.318 241 A C 0.685 178.302 177.584 0.055 0.000 1.091 241 A CA -0.320 51.810 52.037 0.155 0.000 0.763 241 A CB 1.265 20.398 19.000 0.221 0.000 1.248 241 A HN 1.039 nan 8.150 nan 0.000 0.442 242 G N 0.851 109.686 108.800 0.060 0.000 2.418 242 G HA2 0.144 4.104 3.960 0.000 0.000 0.217 242 G HA3 0.144 4.104 3.960 0.000 0.000 0.217 242 G C 0.253 175.167 174.900 0.022 0.000 1.158 242 G CA 1.532 46.649 45.100 0.029 0.000 0.771 242 G HN 0.997 nan 8.290 nan 0.000 0.545 243 D N -2.928 117.492 120.400 0.034 0.000 2.570 243 D HA 0.279 4.919 4.640 0.000 0.000 0.244 243 D C 0.638 176.952 176.300 0.025 0.000 1.178 243 D CA -0.792 53.221 54.000 0.021 0.000 0.881 243 D CB 0.523 41.334 40.800 0.020 0.000 1.453 243 D HN 0.036 nan 8.370 nan 0.000 0.447 244 E N -0.052 120.154 120.200 0.009 0.000 2.160 244 E HA -0.235 4.115 4.350 0.000 0.000 0.195 244 E C 1.388 177.997 176.600 0.015 0.000 0.991 244 E CA 0.906 57.309 56.400 0.006 0.000 0.810 244 E CB 0.058 29.751 29.700 -0.012 0.000 0.742 244 E HN 0.501 nan 8.360 nan 0.000 0.466 245 K N 1.038 121.448 120.400 0.017 0.000 2.002 245 K HA -0.190 4.130 4.320 0.000 0.000 0.209 245 K C 1.642 178.262 176.600 0.034 0.000 1.048 245 K CA 1.799 58.097 56.287 0.018 0.000 0.930 245 K CB 0.099 32.609 32.500 0.018 0.000 0.714 245 K HN -0.065 nan 8.250 nan 0.000 0.438 246 D N 0.186 120.618 120.400 0.053 0.000 2.178 246 D HA -0.106 4.534 4.640 0.000 0.000 0.202 246 D C 1.732 178.092 176.300 0.099 0.000 0.974 246 D CA 1.193 55.243 54.000 0.083 0.000 0.841 246 D CB -0.192 40.672 40.800 0.107 0.000 0.953 246 D HN 0.369 nan 8.370 nan 0.000 0.478 247 A N 0.540 123.410 122.820 0.083 0.000 1.902 247 A HA -0.150 4.170 4.320 0.000 0.000 0.217 247 A C 2.507 180.134 177.584 0.071 0.000 1.181 247 A CA 1.239 53.322 52.037 0.077 0.000 0.623 247 A CB -0.761 18.276 19.000 0.061 0.000 0.818 247 A HN 0.148 nan 8.150 nan 0.000 0.443 248 V N 0.058 119.998 119.914 0.043 0.000 2.343 248 V HA -0.244 3.876 4.120 0.000 0.000 0.247 248 V C 2.623 178.737 176.094 0.033 0.000 1.051 248 V CA 2.452 64.764 62.300 0.021 0.000 1.036 248 V CB -0.695 31.126 31.823 -0.002 0.000 0.654 248 V HN 0.720 nan 8.190 nan 0.000 0.451 249 E N -0.387 119.841 120.200 0.046 0.000 2.106 249 E HA -0.242 4.108 4.350 0.000 0.000 0.192 249 E C 2.031 178.660 176.600 0.048 0.000 0.984 249 E CA 1.540 57.958 56.400 0.030 0.000 0.806 249 E CB -0.510 29.210 29.700 0.033 0.000 0.750 249 E HN 0.688 nan 8.360 nan 0.000 0.458 250 Y N -0.378 119.926 120.300 0.007 0.000 2.224 250 Y HA -0.182 4.368 4.550 0.000 0.000 0.289 250 Y C 2.041 177.976 175.900 0.059 0.000 1.146 250 Y CA 1.383 59.536 58.100 0.088 0.000 1.182 250 Y CB 0.078 38.525 38.460 -0.022 0.000 0.983 250 Y HN -0.056 nan 8.280 nan 0.000 0.524 251 V N 0.613 120.675 119.914 0.246 0.000 2.332 251 V HA -0.345 3.775 4.120 0.000 0.000 0.248 251 V C 2.341 178.433 176.094 -0.003 0.000 1.055 251 V CA 2.326 64.695 62.300 0.115 0.000 1.038 251 V CB -0.606 31.249 31.823 0.053 0.000 0.651 251 V HN 0.324 nan 8.190 nan 0.000 0.450 252 K N -0.647 119.733 120.400 -0.034 0.000 2.026 252 K HA -0.204 4.116 4.320 0.000 0.000 0.208 252 K C 2.363 178.853 176.600 -0.184 0.000 1.048 252 K CA 1.571 57.800 56.287 -0.096 0.000 0.929 252 K CB -0.143 32.307 32.500 -0.082 0.000 0.713 252 K HN 0.430 nan 8.250 nan 0.000 0.439 253 Q N 0.333 119.985 119.800 -0.247 0.000 2.119 253 Q HA -0.159 4.181 4.340 0.000 0.000 0.201 253 Q C 2.142 177.930 176.000 -0.354 0.000 0.972 253 Q CA 1.035 56.589 55.803 -0.415 0.000 0.847 253 Q CB -0.066 28.294 28.738 -0.630 0.000 0.903 253 Q HN 0.243 nan 8.270 nan 0.000 0.433 254 L N 0.578 121.675 121.223 -0.210 0.000 2.079 254 L HA -0.165 4.175 4.340 0.000 0.000 0.210 254 L C 1.977 178.743 176.870 -0.173 0.000 1.081 254 L CA 1.446 56.255 54.840 -0.052 0.000 0.752 254 L CB -0.644 41.420 42.059 0.009 0.000 0.896 254 L HN 0.151 nan 8.230 nan 0.000 0.433 255 L N -0.401 120.682 121.223 -0.235 0.000 2.141 255 L HA -0.163 4.177 4.340 0.000 0.000 0.209 255 L C 2.757 179.418 176.870 -0.349 0.000 1.094 255 L CA 1.646 56.321 54.840 -0.275 0.000 0.763 255 L CB -0.600 41.336 42.059 -0.205 0.000 0.908 255 L HN 0.590 nan 8.230 nan 0.000 0.437 256 S N -1.540 113.871 115.700 -0.482 0.000 2.400 256 S HA -0.239 4.231 4.470 0.000 0.000 0.232 256 S C 1.691 175.934 174.600 -0.596 0.000 1.025 256 S CA 1.211 59.038 58.200 -0.621 0.000 0.993 256 S CB -0.848 61.799 63.200 -0.920 0.000 0.808 256 S HN 0.472 nan 8.310 nan 0.000 0.478 257 Y N 1.532 121.623 120.300 -0.348 0.000 2.490 257 Y HA 0.534 5.084 4.550 0.000 0.000 0.281 257 Y C 0.561 176.206 175.900 -0.424 0.000 1.174 257 Y CA -0.402 57.485 58.100 -0.355 0.000 1.295 257 Y CB -0.128 38.103 38.460 -0.381 0.000 1.062 257 Y HN 0.194 nan 8.280 nan 0.000 0.522 258 L N 2.573 123.598 121.223 -0.331 0.000 2.386 258 L HA 0.452 4.792 4.340 0.000 0.000 0.271 258 L C -2.526 174.150 176.870 -0.324 0.000 0.993 258 L CA -2.293 52.298 54.840 -0.416 0.000 0.819 258 L CB 2.493 44.199 42.059 -0.589 0.000 1.294 258 L HN -0.218 nan 8.230 nan 0.000 0.414 259 P HA 0.151 nan 4.420 nan 0.000 0.274 259 P C 0.146 177.377 177.300 -0.115 0.000 1.231 259 P CA -0.302 62.722 63.100 -0.126 0.000 0.790 259 P CB 1.479 33.174 31.700 -0.008 0.000 0.951 260 S N 1.217 116.884 115.700 -0.054 0.000 2.368 260 S HA -0.124 4.346 4.470 0.000 0.000 0.225 260 S C 0.908 175.522 174.600 0.024 0.000 1.030 260 S CA 1.635 59.814 58.200 -0.035 0.000 0.999 260 S CB -0.617 62.577 63.200 -0.010 0.000 0.844 260 S HN 0.798 nan 8.310 nan 0.000 0.459 261 N N -0.551 118.194 118.700 0.075 0.000 2.708 261 N HA 0.257 4.997 4.740 0.000 0.000 0.257 261 N C -0.300 175.321 175.510 0.185 0.000 1.373 261 N CA -0.661 52.486 53.050 0.162 0.000 0.843 261 N CB 0.231 38.777 38.487 0.099 0.000 1.503 261 N HN -0.100 nan 8.380 nan 0.000 0.504 262 N N 0.117 118.935 118.700 0.198 0.000 2.348 262 N HA -0.139 4.601 4.740 0.000 0.000 0.185 262 N C 0.978 176.549 175.510 0.101 0.000 1.019 262 N CA 0.786 53.937 53.050 0.168 0.000 0.880 262 N CB -0.258 38.241 38.487 0.020 0.000 0.965 262 N HN 0.497 nan 8.380 nan 0.000 0.437 263 L N 0.379 121.644 121.223 0.071 0.000 2.079 263 L HA -0.033 4.307 4.340 0.000 0.000 0.210 263 L C 0.452 177.347 176.870 0.041 0.000 1.081 263 L CA 1.263 56.127 54.840 0.041 0.000 0.752 263 L CB -0.916 41.159 42.059 0.027 0.000 0.896 263 L HN 0.403 nan 8.230 nan 0.000 0.433 264 S N -1.369 114.361 115.700 0.050 0.000 2.526 264 S HA 0.451 4.921 4.470 0.000 0.000 0.293 264 S C -0.505 174.124 174.600 0.048 0.000 1.092 264 S CA -1.038 57.186 58.200 0.040 0.000 0.980 264 S CB 2.117 65.334 63.200 0.027 0.000 1.048 264 S HN 0.169 nan 8.310 nan 0.000 0.483 265 E N 2.409 122.634 120.200 0.041 0.000 2.404 265 E HA 0.301 4.651 4.350 0.000 0.000 0.261 265 E C -2.327 174.283 176.600 0.016 0.000 1.074 265 E CA -1.723 54.702 56.400 0.042 0.000 0.917 265 E CB -0.300 29.424 29.700 0.040 0.000 0.965 265 E HN 0.442 nan 8.360 nan 0.000 0.433 266 P HA 0.065 nan 4.420 nan 0.000 0.269 266 P C -2.417 174.833 177.300 -0.082 0.000 1.209 266 P CA -1.237 61.832 63.100 -0.052 0.000 0.776 266 P CB -0.181 31.485 31.700 -0.056 0.000 0.876 267 P HA 0.216 nan 4.420 nan 0.000 0.268 267 P C -0.858 176.279 177.300 -0.272 0.000 1.205 267 P CA 0.133 63.139 63.100 -0.157 0.000 0.771 267 P CB 0.556 32.143 31.700 -0.189 0.000 0.858 268 A N 2.452 125.157 122.820 -0.191 0.000 2.498 268 A HA 0.729 5.049 4.320 0.000 0.000 0.298 268 A C -1.397 176.297 177.584 0.185 0.000 1.075 268 A CA -0.445 51.502 52.037 -0.149 0.000 0.714 268 A CB 1.111 20.107 19.000 -0.007 0.000 1.299 268 A HN 0.307 nan 8.150 nan 0.000 0.407 269 F N 1.034 120.982 119.950 -0.003 0.000 2.622 269 F HA 0.357 4.884 4.527 0.000 0.000 0.338 269 F C -2.583 173.221 175.800 0.008 0.000 1.334 269 F CA -2.885 55.111 58.000 -0.005 0.000 1.179 269 F CB 0.565 39.555 39.000 -0.016 0.000 1.471 269 F HN 0.176 nan 8.300 nan 0.000 0.576 270 P HA 0.194 nan 4.420 nan 0.000 0.271 270 P C -0.315 177.039 177.300 0.089 0.000 1.220 270 P CA 0.204 63.373 63.100 0.114 0.000 0.768 270 P CB 0.812 32.564 31.700 0.086 0.000 0.848 271 E N 1.820 122.068 120.200 0.080 0.000 2.290 271 E HA 0.195 4.545 4.350 0.000 0.000 0.274 271 E C -1.073 175.560 176.600 0.056 0.000 0.889 271 E CA -0.871 55.566 56.400 0.062 0.000 0.760 271 E CB 1.841 31.581 29.700 0.066 0.000 1.206 271 E HN 0.389 nan 8.360 nan 0.000 0.419 272 E N 3.925 124.151 120.200 0.044 0.000 2.001 272 E HA 0.377 4.727 4.350 0.000 0.000 0.279 272 E C -0.665 175.959 176.600 0.038 0.000 1.045 272 E CA -0.445 55.979 56.400 0.041 0.000 0.833 272 E CB 0.775 30.495 29.700 0.033 0.000 1.077 272 E HN 0.577 nan 8.360 nan 0.000 0.397 273 A N 4.439 127.285 122.820 0.044 0.000 2.498 273 A HA 0.011 4.331 4.320 0.000 0.000 0.239 273 A C 0.208 177.813 177.584 0.034 0.000 1.068 273 A CA -0.282 51.780 52.037 0.042 0.000 0.766 273 A CB 0.368 19.399 19.000 0.052 0.000 1.003 273 A HN 0.807 nan 8.150 nan 0.000 0.497 274 D N 1.133 121.550 120.400 0.029 0.000 2.458 274 D HA 0.151 4.791 4.640 0.000 0.000 0.243 274 D C 0.857 177.170 176.300 0.022 0.000 1.146 274 D CA -0.146 53.867 54.000 0.022 0.000 0.877 274 D CB 0.479 41.290 40.800 0.017 0.000 1.176 274 D HN 0.241 nan 8.370 nan 0.000 0.461 275 L N 3.610 124.844 121.223 0.017 0.000 2.093 275 L HA 0.096 4.436 4.340 0.000 0.000 0.208 275 L C 1.473 178.349 176.870 0.009 0.000 1.085 275 L CA 0.944 55.792 54.840 0.013 0.000 0.755 275 L CB -1.373 40.690 42.059 0.007 0.000 0.904 275 L HN 0.487 nan 8.230 nan 0.000 0.435 276 A N -0.019 122.805 122.820 0.007 0.000 2.531 276 A HA 0.287 4.607 4.320 0.000 0.000 0.236 276 A C 0.289 177.876 177.584 0.005 0.000 1.062 276 A CA -0.325 51.715 52.037 0.004 0.000 0.760 276 A CB -0.123 18.879 19.000 0.004 0.000 0.995 276 A HN -0.029 nan 8.150 nan 0.000 0.501 277 V N 2.674 122.590 119.914 0.002 0.000 2.673 277 V HA 0.241 4.361 4.120 0.000 0.000 0.303 277 V C 1.112 177.206 176.094 0.001 0.000 1.046 277 V CA 0.883 63.185 62.300 0.003 0.000 1.126 277 V CB 0.510 32.332 31.823 -0.001 0.000 0.934 277 V HN 1.043 nan 8.190 nan 0.000 0.487 278 T N -0.210 114.344 114.554 0.000 0.000 2.770 278 T HA 0.331 4.681 4.350 0.000 0.000 0.283 278 T C 0.613 175.306 174.700 -0.013 0.000 0.988 278 T CA -0.666 61.429 62.100 -0.008 0.000 0.957 278 T CB 1.236 70.096 68.868 -0.014 0.000 0.930 278 T HN 0.658 nan 8.240 nan 0.000 0.443 279 D N 2.003 122.396 120.400 -0.011 0.000 2.218 279 D HA -0.316 4.324 4.640 0.000 0.000 0.194 279 D C 1.565 177.857 176.300 -0.014 0.000 1.007 279 D CA 1.875 55.870 54.000 -0.009 0.000 0.879 279 D CB -0.199 40.597 40.800 -0.007 0.000 0.918 279 D HN 0.898 nan 8.370 nan 0.000 0.449 280 E N 0.701 120.875 120.200 -0.044 0.000 2.153 280 E HA -0.237 4.113 4.350 0.000 0.000 0.194 280 E C 1.168 177.696 176.600 -0.121 0.000 0.988 280 E CA 1.215 57.553 56.400 -0.103 0.000 0.811 280 E CB -0.042 29.555 29.700 -0.170 0.000 0.746 280 E HN 0.153 nan 8.360 nan 0.000 0.466 281 D N 0.655 121.027 120.400 -0.046 0.000 2.178 281 D HA -0.150 4.490 4.640 0.000 0.000 0.201 281 D C 1.874 178.230 176.300 0.093 0.000 0.980 281 D CA 1.357 55.404 54.000 0.078 0.000 0.842 281 D CB -0.226 40.606 40.800 0.053 0.000 0.948 281 D HN 0.378 nan 8.370 nan 0.000 0.472 282 A N 1.256 124.099 122.820 0.039 0.000 2.024 282 A HA -0.207 4.113 4.320 0.000 0.000 0.220 282 A C 1.970 179.574 177.584 0.034 0.000 1.164 282 A CA 1.188 53.233 52.037 0.014 0.000 0.643 282 A CB -0.451 18.551 19.000 0.002 0.000 0.806 282 A HN 0.244 nan 8.150 nan 0.000 0.451 283 E N -0.496 119.773 120.200 0.116 0.000 2.209 283 E HA -0.193 4.157 4.350 0.000 0.000 0.196 283 E C 1.537 178.173 176.600 0.061 0.000 0.993 283 E CA 0.888 57.374 56.400 0.143 0.000 0.819 283 E CB -0.278 29.605 29.700 0.304 0.000 0.745 283 E HN 0.442 nan 8.360 nan 0.000 0.477 284 L N 1.563 122.807 121.223 0.034 0.000 2.131 284 L HA -0.168 4.172 4.340 0.000 0.000 0.210 284 L C 1.728 178.436 176.870 -0.269 0.000 1.092 284 L CA 1.584 56.322 54.840 -0.169 0.000 0.759 284 L CB -0.716 41.213 42.059 -0.216 0.000 0.903 284 L HN 0.007 nan 8.230 nan 0.000 0.435 285 D N -1.045 119.235 120.400 -0.199 0.000 2.123 285 D HA -0.161 4.479 4.640 0.000 0.000 0.196 285 D C 2.043 178.229 176.300 -0.190 0.000 0.992 285 D CA 1.833 55.702 54.000 -0.218 0.000 0.833 285 D CB 0.084 40.805 40.800 -0.132 0.000 0.954 285 D HN 0.430 nan 8.370 nan 0.000 0.455 286 T N -2.178 112.294 114.554 -0.137 0.000 3.054 286 T HA 0.086 4.436 4.350 0.000 0.000 0.255 286 T C 1.754 176.365 174.700 -0.148 0.000 1.035 286 T CA -0.304 61.726 62.100 -0.117 0.000 0.941 286 T CB -0.044 68.783 68.868 -0.068 0.000 1.026 286 T HN -0.033 nan 8.240 nan 0.000 0.533 287 I N 3.096 123.561 120.570 -0.174 0.000 2.208 287 I HA 0.016 4.186 4.170 0.000 0.000 0.245 287 I C 0.653 176.447 176.117 -0.539 0.000 1.097 287 I CA 0.655 61.831 61.300 -0.206 0.000 1.363 287 I CB -0.269 37.677 38.000 -0.089 0.000 1.051 287 I HN 0.287 nan 8.210 nan 0.000 0.413 288 V N 1.910 121.473 119.914 -0.585 0.000 2.585 288 V HA 0.211 4.331 4.120 0.000 0.000 0.296 288 V C -2.038 173.844 176.094 -0.354 0.000 1.035 288 V CA -1.540 60.344 62.300 -0.694 0.000 1.084 288 V CB -0.822 30.827 31.823 -0.290 0.000 0.953 288 V HN 0.202 nan 8.190 nan 0.000 0.483 289 P HA 0.194 nan 4.420 nan 0.000 0.274 289 P C 0.345 177.614 177.300 -0.053 0.000 1.237 289 P CA -0.294 62.748 63.100 -0.097 0.000 0.793 289 P CB 1.033 32.726 31.700 -0.012 0.000 0.977 290 D N -0.148 120.237 120.400 -0.025 0.000 2.123 290 D HA -0.064 4.576 4.640 0.000 0.000 0.196 290 D C 0.362 176.670 176.300 0.013 0.000 0.992 290 D CA 1.441 55.437 54.000 -0.007 0.000 0.833 290 D CB -0.044 40.756 40.800 -0.001 0.000 0.954 290 D HN 0.385 nan 8.370 nan 0.000 0.455 291 S N 0.132 115.846 115.700 0.022 0.000 2.565 291 S HA 0.407 4.877 4.470 0.000 0.000 0.274 291 S C 1.073 175.708 174.600 0.058 0.000 1.309 291 S CA -0.332 57.891 58.200 0.039 0.000 1.043 291 S CB 1.973 65.195 63.200 0.037 0.000 0.939 291 S HN 0.204 nan 8.310 nan 0.000 0.504 292 A N 3.158 126.018 122.820 0.067 0.000 1.858 292 A HA -0.139 4.181 4.320 0.000 0.000 0.216 292 A C 1.903 179.543 177.584 0.094 0.000 1.190 292 A CA 1.452 53.542 52.037 0.088 0.000 0.617 292 A CB -0.775 18.285 19.000 0.100 0.000 0.827 292 A HN 0.733 nan 8.150 nan 0.000 0.443 293 N N 0.184 118.931 118.700 0.079 0.000 2.142 293 N HA -0.083 4.657 4.740 0.000 0.000 0.186 293 N C 1.117 176.670 175.510 0.071 0.000 1.023 293 N CA 0.933 54.025 53.050 0.069 0.000 0.852 293 N CB -0.591 37.926 38.487 0.050 0.000 0.998 293 N HN 0.782 nan 8.380 nan 0.000 0.424 294 Q N 2.392 122.234 119.800 0.070 0.000 2.263 294 Q HA 0.073 4.413 4.340 0.000 0.000 0.289 294 Q C -2.453 173.620 176.000 0.122 0.000 1.061 294 Q CA -1.026 54.822 55.803 0.074 0.000 0.927 294 Q CB 0.666 29.442 28.738 0.063 0.000 1.154 294 Q HN 0.045 nan 8.270 nan 0.000 0.378 295 P HA 0.205 nan 4.420 nan 0.000 0.279 295 P C -1.685 175.740 177.300 0.208 0.000 1.252 295 P CA -0.111 63.059 63.100 0.117 0.000 0.811 295 P CB 0.426 32.146 31.700 0.034 0.000 1.035 296 Y N -1.817 118.492 120.300 0.014 0.000 2.624 296 Y HA 0.534 5.084 4.550 0.000 0.000 0.334 296 Y C -1.225 174.685 175.900 0.017 0.000 1.155 296 Y CA -1.560 56.552 58.100 0.020 0.000 1.046 296 Y CB 0.380 38.854 38.460 0.024 0.000 1.316 296 Y HN 0.144 nan 8.280 nan 0.000 0.457 297 D N 2.235 122.632 120.400 -0.005 0.000 2.389 297 D HA 0.056 4.696 4.640 0.000 0.000 0.247 297 D C 0.915 177.076 176.300 -0.231 0.000 1.128 297 D CA -0.086 53.879 54.000 -0.058 0.000 0.884 297 D CB 1.264 42.132 40.800 0.113 0.000 1.194 297 D HN 0.747 nan 8.370 nan 0.000 0.441 298 M N 3.645 123.058 119.600 -0.312 0.000 2.159 298 M HA -0.143 4.337 4.480 0.000 0.000 0.263 298 M C 1.624 177.703 176.300 -0.368 0.000 1.063 298 M CA 1.553 56.609 55.300 -0.407 0.000 1.110 298 M CB -0.805 31.502 32.600 -0.490 0.000 1.374 298 M HN 0.545 nan 8.290 nan 0.000 0.411 299 H N -2.155 116.828 119.070 -0.145 0.000 2.353 299 H HA -0.063 4.493 4.556 0.000 0.000 0.300 299 H C 2.300 177.582 175.328 -0.078 0.000 1.090 299 H CA 1.720 57.706 56.048 -0.103 0.000 1.327 299 H CB -0.495 29.272 29.762 0.007 0.000 1.383 299 H HN 0.341 nan 8.280 nan 0.000 0.508 300 S N 0.339 116.097 115.700 0.096 0.000 2.383 300 S HA -0.105 4.365 4.470 0.000 0.000 0.229 300 S C 2.423 177.021 174.600 -0.003 0.000 1.030 300 S CA 0.967 59.234 58.200 0.111 0.000 1.002 300 S CB -0.270 62.994 63.200 0.107 0.000 0.829 300 S HN 0.138 nan 8.310 nan 0.000 0.467 301 V N 1.903 121.731 119.914 -0.143 0.000 2.343 301 V HA -0.150 3.970 4.120 0.000 0.000 0.247 301 V C 2.094 177.987 176.094 -0.335 0.000 1.051 301 V CA 1.667 63.817 62.300 -0.250 0.000 1.036 301 V CB -0.677 31.006 31.823 -0.234 0.000 0.654 301 V HN 0.501 nan 8.190 nan 0.000 0.451 302 I N -0.069 120.202 120.570 -0.499 0.000 2.361 302 I HA -0.242 3.928 4.170 0.000 0.000 0.251 302 I C 2.558 178.625 176.117 -0.084 0.000 1.133 302 I CA 1.552 62.586 61.300 -0.443 0.000 1.413 302 I CB -0.394 37.244 38.000 -0.602 0.000 1.073 302 I HN 0.359 nan 8.210 nan 0.000 0.424 303 E N 0.066 120.298 120.200 0.054 0.000 2.110 303 E HA -0.253 4.097 4.350 0.000 0.000 0.193 303 E C 2.108 178.830 176.600 0.204 0.000 0.988 303 E CA 1.303 57.804 56.400 0.170 0.000 0.804 303 E CB 0.027 29.857 29.700 0.216 0.000 0.745 303 E HN 0.481 nan 8.360 nan 0.000 0.458 304 H N -0.762 118.339 119.070 0.050 0.000 2.293 304 H HA -0.130 4.426 4.556 0.000 0.000 0.300 304 H C 2.199 177.586 175.328 0.098 0.000 1.082 304 H CA 1.840 57.936 56.048 0.080 0.000 1.308 304 H CB -0.568 29.254 29.762 0.100 0.000 1.375 304 H HN 0.159 nan 8.280 nan 0.000 0.495 305 V N -0.813 119.253 119.914 0.254 0.000 2.307 305 V HA -0.084 4.036 4.120 0.000 0.000 0.245 305 V C 1.322 177.516 176.094 0.167 0.000 1.045 305 V CA 0.878 63.310 62.300 0.220 0.000 1.024 305 V CB -0.949 31.038 31.823 0.274 0.000 0.651 305 V HN 0.066 nan 8.190 nan 0.000 0.449 306 L N 1.544 122.861 121.223 0.156 0.000 2.439 306 L HA 0.292 4.632 4.340 0.000 0.000 0.269 306 L C 0.005 176.952 176.870 0.129 0.000 1.179 306 L CA -0.398 54.531 54.840 0.148 0.000 0.828 306 L CB -0.053 42.103 42.059 0.162 0.000 1.106 306 L HN 0.206 nan 8.230 nan 0.000 0.467 307 D N 1.840 122.315 120.400 0.125 0.000 2.458 307 D HA 0.032 4.672 4.640 0.000 0.000 0.243 307 D C 0.272 176.632 176.300 0.099 0.000 1.146 307 D CA 0.348 54.410 54.000 0.103 0.000 0.877 307 D CB 0.634 41.496 40.800 0.103 0.000 1.176 307 D HN 0.488 nan 8.370 nan 0.000 0.461 308 D N 1.413 121.859 120.400 0.077 0.000 3.079 308 D HA -0.233 4.407 4.640 0.000 0.000 0.214 308 D C 0.559 176.904 176.300 0.075 0.000 1.145 308 D CA 1.089 55.129 54.000 0.067 0.000 0.958 308 D CB -1.482 39.359 40.800 0.069 0.000 1.117 308 D HN 0.690 nan 8.370 nan 0.000 0.416 309 A N -1.130 121.742 122.820 0.088 0.000 2.822 309 A HA -0.225 4.095 4.320 0.000 0.000 0.287 309 A C 0.285 177.952 177.584 0.138 0.000 1.479 309 A CA 1.739 53.840 52.037 0.107 0.000 0.779 309 A CB -1.348 17.698 19.000 0.077 0.000 1.022 309 A HN 0.287 nan 8.150 nan 0.000 0.532 310 E N -0.640 119.651 120.200 0.153 0.000 2.133 310 E HA 0.697 5.047 4.350 0.000 0.000 0.274 310 E C -0.836 175.923 176.600 0.266 0.000 0.930 310 E CA -0.615 55.890 56.400 0.174 0.000 0.770 310 E CB 0.450 30.229 29.700 0.132 0.000 1.104 310 E HN 0.689 nan 8.360 nan 0.000 0.403 311 F N 5.825 125.843 119.950 0.114 0.000 2.467 311 F HA 0.482 5.009 4.527 0.000 0.000 0.336 311 F C -1.631 174.295 175.800 0.209 0.000 1.123 311 F CA -1.600 56.474 58.000 0.122 0.000 0.964 311 F CB 0.696 39.756 39.000 0.100 0.000 1.136 311 F HN 0.334 nan 8.300 nan 0.000 0.447 312 F N 5.819 125.466 119.950 -0.505 0.000 2.368 312 F HA 0.309 4.836 4.527 0.000 0.000 0.362 312 F C 0.455 175.496 175.800 -1.264 0.000 1.137 312 F CA -0.760 56.856 58.000 -0.641 0.000 1.161 312 F CB 0.067 38.822 39.000 -0.408 0.000 1.265 312 F HN 0.588 nan 8.300 nan 0.000 0.530 313 E N 2.651 121.978 120.200 -1.455 0.000 2.384 313 E HA 0.189 4.539 4.350 0.000 0.000 0.266 313 E C -0.173 176.159 176.600 -0.447 0.000 1.012 313 E CA 0.087 55.944 56.400 -0.905 0.000 0.901 313 E CB 0.657 30.105 29.700 -0.420 0.000 0.967 313 E HN 0.624 nan 8.360 nan 0.000 0.435 314 T N 1.726 116.166 114.554 -0.191 0.000 2.876 314 T HA 0.209 4.559 4.350 0.000 0.000 0.289 314 T C -0.529 174.199 174.700 0.046 0.000 1.014 314 T CA -0.568 61.535 62.100 0.006 0.000 0.986 314 T CB 1.372 70.396 68.868 0.259 0.000 1.021 314 T HN 0.670 nan 8.240 nan 0.000 0.458 315 Q N 0.405 120.258 119.800 0.090 0.000 2.468 315 Q HA -0.126 4.214 4.340 0.000 0.000 0.289 315 Q C -2.004 174.043 176.000 0.079 0.000 1.299 315 Q CA 0.499 56.365 55.803 0.105 0.000 0.838 315 Q CB -1.966 26.879 28.738 0.178 0.000 1.195 315 Q HN 0.616 nan 8.270 nan 0.000 0.456 316 P HA -0.158 nan 4.420 nan 0.000 0.215 316 P C 1.513 178.840 177.300 0.045 0.000 1.157 316 P CA 0.947 64.070 63.100 0.039 0.000 0.863 316 P CB 0.063 31.768 31.700 0.010 0.000 0.787 317 L N -2.644 118.602 121.223 0.039 0.000 2.027 317 L HA -0.081 4.259 4.340 0.000 0.000 0.206 317 L C 1.475 178.416 176.870 0.117 0.000 1.074 317 L CA 0.637 55.508 54.840 0.052 0.000 0.745 317 L CB -0.908 41.163 42.059 0.021 0.000 0.898 317 L HN 0.001 nan 8.230 nan 0.000 0.433 318 F N 1.159 121.087 119.950 -0.037 0.000 2.563 318 F HA 0.282 4.809 4.527 0.000 0.000 0.363 318 F C 1.017 176.795 175.800 -0.036 0.000 1.123 318 F CA -0.402 57.575 58.000 -0.039 0.000 1.307 318 F CB 0.232 39.202 39.000 -0.049 0.000 1.115 318 F HN 0.193 nan 8.300 nan 0.000 0.592 319 A N 4.914 127.386 122.820 -0.579 0.000 2.667 319 A HA -0.184 4.136 4.320 0.000 0.000 0.298 319 A C -1.862 175.547 177.584 -0.292 0.000 1.483 319 A CA 0.451 52.091 52.037 -0.661 0.000 0.738 319 A CB -2.316 16.074 19.000 -1.016 0.000 1.067 319 A HN 0.642 nan 8.150 nan 0.000 0.451 320 P HA -0.169 nan 4.420 nan 0.000 0.221 320 P C 1.278 178.534 177.300 -0.075 0.000 1.145 320 P CA 1.564 64.632 63.100 -0.054 0.000 0.795 320 P CB -0.127 31.586 31.700 0.022 0.000 0.775 321 N N -0.798 117.824 118.700 -0.131 0.000 2.453 321 N HA -0.074 4.666 4.740 0.000 0.000 0.183 321 N C 0.730 176.174 175.510 -0.111 0.000 1.041 321 N CA 0.696 53.691 53.050 -0.092 0.000 0.900 321 N CB -0.202 38.197 38.487 -0.148 0.000 0.961 321 N HN 0.265 nan 8.380 nan 0.000 0.443 322 I N 0.621 121.112 120.570 -0.131 0.000 2.646 322 I HA 0.327 4.497 4.170 0.000 0.000 0.299 322 I C -1.276 174.768 176.117 -0.122 0.000 1.036 322 I CA -1.103 60.121 61.300 -0.126 0.000 1.074 322 I CB 1.826 39.762 38.000 -0.106 0.000 1.258 322 I HN -0.187 nan 8.210 nan 0.000 0.430 323 L N 5.317 126.449 121.223 -0.152 0.000 2.333 323 L HA 0.638 4.978 4.340 0.000 0.000 0.280 323 L C -0.353 176.408 176.870 -0.182 0.000 1.004 323 L CA -0.527 54.243 54.840 -0.117 0.000 0.820 323 L CB 1.621 43.596 42.059 -0.139 0.000 1.247 323 L HN 0.512 nan 8.230 nan 0.000 0.416 324 T N -0.444 113.983 114.554 -0.212 0.000 2.848 324 T HA 0.908 5.258 4.350 0.000 0.000 0.285 324 T C -0.177 174.201 174.700 -0.536 0.000 0.995 324 T CA -0.480 61.194 62.100 -0.709 0.000 0.970 324 T CB 1.957 70.199 68.868 -1.043 0.000 0.976 324 T HN 0.915 nan 8.240 nan 0.000 0.441 325 G N 1.707 110.184 108.800 -0.539 0.000 2.660 325 G HA2 0.677 4.637 3.960 0.000 0.000 0.290 325 G HA3 0.677 4.637 3.960 0.000 0.000 0.290 325 G C -1.916 173.067 174.900 0.138 0.000 1.432 325 G CA -1.026 44.330 45.100 0.427 0.000 0.807 325 G HN 0.640 nan 8.290 nan 0.000 0.485 326 F N -0.583 119.680 119.950 0.521 0.000 2.561 326 F HA 0.871 5.398 4.527 0.000 0.000 0.321 326 F C 0.696 176.525 175.800 0.048 0.000 1.065 326 F CA -0.484 57.653 58.000 0.228 0.000 0.934 326 F CB 2.808 41.770 39.000 -0.063 0.000 1.215 326 F HN 0.810 nan 8.300 nan 0.000 0.471 327 G N 0.666 109.614 108.800 0.246 0.000 2.660 327 G HA2 0.654 4.614 3.960 0.000 0.000 0.290 327 G HA3 0.654 4.614 3.960 0.000 0.000 0.290 327 G C -1.987 173.037 174.900 0.208 0.000 1.432 327 G CA -1.176 44.044 45.100 0.200 0.000 0.807 327 G HN 0.513 nan 8.290 nan 0.000 0.485 328 R N 0.037 120.657 120.500 0.200 0.000 2.393 328 R HA 0.571 4.911 4.340 0.000 0.000 0.315 328 R C -1.211 175.175 176.300 0.143 0.000 0.952 328 R CA -0.682 55.522 56.100 0.174 0.000 0.842 328 R CB 2.391 32.790 30.300 0.165 0.000 1.163 328 R HN 0.275 nan 8.270 nan 0.000 0.450 329 V N 2.500 122.491 119.914 0.129 0.000 2.378 329 V HA 0.170 4.290 4.120 0.000 0.000 0.288 329 V C 0.470 176.622 176.094 0.098 0.000 1.016 329 V CA -0.664 61.705 62.300 0.116 0.000 0.840 329 V CB 1.158 33.054 31.823 0.122 0.000 0.994 329 V HN 0.901 nan 8.190 nan 0.000 0.431 330 E N 3.273 123.527 120.200 0.090 0.000 2.360 330 E HA -0.237 4.113 4.350 0.000 0.000 0.238 330 E C 1.088 177.738 176.600 0.084 0.000 1.186 330 E CA 0.524 56.973 56.400 0.081 0.000 0.719 330 E CB -1.015 28.729 29.700 0.073 0.000 1.236 330 E HN 1.566 nan 8.360 nan 0.000 0.386 331 G N 0.411 109.264 108.800 0.088 0.000 2.323 331 G HA2 -0.351 3.609 3.960 0.000 0.000 0.292 331 G HA3 -0.351 3.609 3.960 0.000 0.000 0.292 331 G C -0.072 174.852 174.900 0.040 0.000 1.040 331 G CA 1.045 46.192 45.100 0.077 0.000 0.942 331 G HN 0.303 nan 8.290 nan 0.000 0.506 332 R N -0.663 119.869 120.500 0.053 0.000 2.744 332 R HA 0.598 4.938 4.340 0.000 0.000 0.279 332 R C -2.947 173.405 176.300 0.086 0.000 0.977 332 R CA -2.204 53.922 56.100 0.043 0.000 0.906 332 R CB 1.767 32.100 30.300 0.056 0.000 1.197 332 R HN 0.017 nan 8.270 nan 0.000 0.463 333 P HA 0.063 nan 4.420 nan 0.000 0.271 333 P C -0.923 176.485 177.300 0.180 0.000 1.216 333 P CA -0.343 62.852 63.100 0.159 0.000 0.771 333 P CB 0.812 32.571 31.700 0.097 0.000 0.864 334 V N 0.479 120.542 119.914 0.248 0.000 3.078 334 V HA 0.965 5.085 4.120 0.000 0.000 0.311 334 V C -0.178 176.152 176.094 0.394 0.000 1.138 334 V CA -1.038 61.419 62.300 0.262 0.000 1.007 334 V CB 2.041 33.989 31.823 0.208 0.000 1.045 334 V HN 0.589 nan 8.190 nan 0.000 0.432 335 G N 1.679 110.689 108.800 0.350 0.000 2.530 335 G HA2 0.752 4.712 3.960 0.000 0.000 0.316 335 G HA3 0.752 4.712 3.960 0.000 0.000 0.316 335 G C -1.384 173.745 174.900 0.381 0.000 1.298 335 G CA -0.725 44.593 45.100 0.363 0.000 0.948 335 G HN 0.775 nan 8.290 nan 0.000 0.486 336 I N 1.936 122.743 120.570 0.395 0.000 2.389 336 I HA 0.334 4.504 4.170 0.000 0.000 0.288 336 I C -0.499 175.642 176.117 0.040 0.000 0.999 336 I CA -0.767 60.621 61.300 0.147 0.000 1.129 336 I CB 2.283 40.200 38.000 -0.138 0.000 1.288 336 I HN 0.116 nan 8.210 nan 0.000 0.444 337 V N 6.161 126.153 119.914 0.129 0.000 2.409 337 V HA 0.852 4.972 4.120 0.000 0.000 0.291 337 V C -0.057 176.070 176.094 0.056 0.000 1.020 337 V CA -0.432 61.899 62.300 0.051 0.000 0.848 337 V CB 1.297 33.235 31.823 0.191 0.000 0.990 337 V HN 0.791 nan 8.190 nan 0.000 0.430 338 A N 4.233 127.027 122.820 -0.043 0.000 2.515 338 A HA 0.823 5.143 4.320 0.000 0.000 0.298 338 A C -0.880 176.630 177.584 -0.124 0.000 1.059 338 A CA -0.822 51.189 52.037 -0.043 0.000 0.698 338 A CB 1.473 20.415 19.000 -0.097 0.000 1.289 338 A HN 0.668 nan 8.150 nan 0.000 0.404 339 N N 1.650 120.276 118.700 -0.123 0.000 2.472 339 N HA 0.317 5.057 4.740 0.000 0.000 0.277 339 N C -0.519 174.874 175.510 -0.195 0.000 1.081 339 N CA -0.014 52.949 53.050 -0.146 0.000 0.973 339 N CB 1.358 39.761 38.487 -0.140 0.000 1.105 339 N HN 0.716 nan 8.380 nan 0.000 0.470 340 Q N 3.628 123.322 119.800 -0.177 0.000 2.390 340 Q HA 0.275 4.615 4.340 0.000 0.000 0.249 340 Q C -1.807 174.108 176.000 -0.143 0.000 0.996 340 Q CA -1.831 53.858 55.803 -0.190 0.000 0.899 340 Q CB 1.146 29.797 28.738 -0.146 0.000 1.216 340 Q HN 0.304 nan 8.270 nan 0.000 0.465 341 P HA -0.250 nan 4.420 nan 0.000 0.217 341 P C 1.062 178.310 177.300 -0.086 0.000 1.151 341 P CA 1.484 64.487 63.100 -0.163 0.000 0.849 341 P CB 0.153 31.671 31.700 -0.304 0.000 0.787 342 M N -1.840 117.710 119.600 -0.084 0.000 2.159 342 M HA -0.108 4.372 4.480 0.000 0.000 0.263 342 M C 0.895 177.197 176.300 0.003 0.000 1.063 342 M CA 1.516 56.798 55.300 -0.030 0.000 1.110 342 M CB -0.769 31.832 32.600 0.001 0.000 1.374 342 M HN 0.043 nan 8.290 nan 0.000 0.411 343 Q N -0.331 119.497 119.800 0.046 0.000 2.322 343 Q HA 0.231 4.571 4.340 0.000 0.000 0.265 343 Q C -0.740 175.431 176.000 0.285 0.000 0.985 343 Q CA -0.419 55.475 55.803 0.152 0.000 0.849 343 Q CB 1.344 30.224 28.738 0.237 0.000 1.274 343 Q HN 0.343 nan 8.270 nan 0.000 0.449 344 F N 0.953 120.880 119.950 -0.038 0.000 3.093 344 F HA -0.344 4.183 4.527 0.000 0.000 0.287 344 F C 0.917 176.693 175.800 -0.040 0.000 0.882 344 F CA 0.793 58.773 58.000 -0.034 0.000 1.063 344 F CB -2.247 36.730 39.000 -0.038 0.000 1.097 344 F HN 0.784 nan 8.300 nan 0.000 0.604 345 A N -1.159 121.698 122.820 0.062 0.000 2.822 345 A HA 0.192 4.512 4.320 0.000 0.000 0.287 345 A C 2.037 179.629 177.584 0.014 0.000 1.479 345 A CA 1.433 53.484 52.037 0.024 0.000 0.779 345 A CB -1.715 17.303 19.000 0.030 0.000 1.022 345 A HN 2.601 nan 8.150 nan 0.000 0.532 346 G N -2.882 105.921 108.800 0.004 0.000 2.233 346 G HA2 -0.213 3.747 3.960 0.000 0.000 0.270 346 G HA3 -0.213 3.747 3.960 0.000 0.000 0.270 346 G C 0.628 175.485 174.900 -0.071 0.000 1.011 346 G CA 0.834 45.900 45.100 -0.057 0.000 0.762 346 G HN 1.894 nan 8.290 nan 0.000 0.511 347 C N -0.725 118.564 119.300 -0.018 0.000 2.500 347 C HA 0.730 5.190 4.460 0.000 0.000 0.367 347 C C 0.779 175.732 174.990 -0.062 0.000 1.283 347 C CA -1.099 57.893 59.018 -0.043 0.000 2.456 347 C CB 1.004 28.774 27.740 0.049 0.000 2.457 347 C HN 0.605 nan 8.230 nan 0.000 0.632 348 L N 2.155 123.346 121.223 -0.053 0.000 2.289 348 L HA 0.538 4.878 4.340 0.000 0.000 0.285 348 L C -0.381 176.529 176.870 0.068 0.000 1.049 348 L CA 0.474 55.340 54.840 0.044 0.000 0.804 348 L CB 0.685 42.881 42.059 0.229 0.000 1.195 348 L HN 0.741 nan 8.230 nan 0.000 0.428 349 D N 3.068 123.436 120.400 -0.052 0.000 2.228 349 D HA 0.279 4.919 4.640 0.000 0.000 0.247 349 D C 1.356 177.620 176.300 -0.061 0.000 0.995 349 D CA -0.329 53.599 54.000 -0.121 0.000 0.903 349 D CB 1.264 41.883 40.800 -0.302 0.000 1.205 349 D HN 0.594 nan 8.370 nan 0.000 0.459 350 I N 1.121 121.660 120.570 -0.052 0.000 2.185 350 I HA -0.356 3.814 4.170 0.000 0.000 0.246 350 I C 2.332 178.435 176.117 -0.022 0.000 1.088 350 I CA 1.913 63.197 61.300 -0.027 0.000 1.347 350 I CB -0.376 37.614 38.000 -0.017 0.000 1.041 350 I HN 0.607 nan 8.210 nan 0.000 0.415 351 T N -0.290 114.214 114.554 -0.082 0.000 2.746 351 T HA -0.160 4.190 4.350 0.000 0.000 0.267 351 T C 1.963 176.532 174.700 -0.218 0.000 1.039 351 T CA 1.381 63.385 62.100 -0.161 0.000 1.142 351 T CB -0.283 68.305 68.868 -0.467 0.000 0.866 351 T HN 0.372 nan 8.240 nan 0.000 0.444 352 A N 1.845 124.542 122.820 -0.204 0.000 1.877 352 A HA -0.004 4.316 4.320 0.000 0.000 0.216 352 A C 2.846 180.407 177.584 -0.038 0.000 1.186 352 A CA 2.588 54.529 52.037 -0.161 0.000 0.620 352 A CB -1.277 17.644 19.000 -0.132 0.000 0.822 352 A HN 0.841 nan 8.150 nan 0.000 0.443 353 S N -0.382 115.332 115.700 0.024 0.000 2.383 353 S HA -0.189 4.281 4.470 0.000 0.000 0.227 353 S C 1.784 176.427 174.600 0.071 0.000 1.026 353 S CA 1.562 59.805 58.200 0.072 0.000 0.981 353 S CB -0.366 62.888 63.200 0.091 0.000 0.818 353 S HN 0.555 nan 8.310 nan 0.000 0.472 354 E N 1.831 122.070 120.200 0.066 0.000 2.038 354 E HA -0.148 4.202 4.350 0.000 0.000 0.195 354 E C 2.166 178.844 176.600 0.129 0.000 1.000 354 E CA 1.443 57.900 56.400 0.094 0.000 0.803 354 E CB -0.194 29.583 29.700 0.128 0.000 0.750 354 E HN 0.531 nan 8.360 nan 0.000 0.448 355 K N 0.171 120.672 120.400 0.168 0.000 2.025 355 K HA -0.066 4.254 4.320 0.000 0.000 0.207 355 K C 2.016 178.714 176.600 0.164 0.000 1.049 355 K CA 1.368 57.783 56.287 0.214 0.000 0.933 355 K CB -0.302 32.357 32.500 0.266 0.000 0.714 355 K HN 0.153 nan 8.250 nan 0.000 0.438 356 A N 1.248 124.132 122.820 0.107 0.000 1.933 356 A HA -0.046 4.274 4.320 0.000 0.000 0.218 356 A C 2.390 180.064 177.584 0.150 0.000 1.175 356 A CA 1.953 54.060 52.037 0.117 0.000 0.628 356 A CB -0.675 18.376 19.000 0.085 0.000 0.814 356 A HN 0.492 nan 8.150 nan 0.000 0.444 357 A N -0.719 122.167 122.820 0.111 0.000 1.933 357 A HA -0.153 4.167 4.320 0.000 0.000 0.218 357 A C 2.264 179.889 177.584 0.068 0.000 1.175 357 A CA 1.546 53.625 52.037 0.070 0.000 0.628 357 A CB -0.470 18.574 19.000 0.073 0.000 0.814 357 A HN 0.351 nan 8.150 nan 0.000 0.444 358 R N -1.373 119.191 120.500 0.107 0.000 2.081 358 R HA -0.118 4.222 4.340 0.000 0.000 0.235 358 R C 1.895 178.271 176.300 0.126 0.000 1.131 358 R CA 1.665 57.823 56.100 0.096 0.000 0.960 358 R CB -0.989 29.375 30.300 0.107 0.000 0.856 358 R HN 0.592 nan 8.270 nan 0.000 0.436 359 F N 0.787 120.772 119.950 0.059 0.000 2.171 359 F HA -0.183 4.344 4.527 0.000 0.000 0.300 359 F C 2.155 178.002 175.800 0.079 0.000 1.090 359 F CA 1.094 59.161 58.000 0.110 0.000 1.293 359 F CB -0.191 38.859 39.000 0.085 0.000 1.013 359 F HN -0.243 nan 8.300 nan 0.000 0.486 360 V N 0.727 120.690 119.914 0.082 0.000 2.307 360 V HA -0.281 3.839 4.120 0.000 0.000 0.245 360 V C 2.497 178.526 176.094 -0.108 0.000 1.045 360 V CA 2.231 64.459 62.300 -0.119 0.000 1.024 360 V CB -0.611 30.984 31.823 -0.381 0.000 0.651 360 V HN 0.249 nan 8.190 nan 0.000 0.449 361 R N -0.393 120.074 120.500 -0.055 0.000 2.081 361 R HA -0.138 4.202 4.340 0.000 0.000 0.235 361 R C 2.408 178.688 176.300 -0.034 0.000 1.131 361 R CA 1.973 58.056 56.100 -0.028 0.000 0.960 361 R CB -0.720 29.582 30.300 0.003 0.000 0.856 361 R HN 0.495 nan 8.270 nan 0.000 0.436 362 T N 0.203 114.745 114.554 -0.019 0.000 2.708 362 T HA -0.164 4.186 4.350 0.000 0.000 0.266 362 T C 2.050 176.823 174.700 0.122 0.000 1.037 362 T CA 1.296 63.414 62.100 0.030 0.000 1.146 362 T CB -0.317 68.571 68.868 0.033 0.000 0.865 362 T HN 0.355 nan 8.240 nan 0.000 0.435 363 C N 1.337 120.668 119.300 0.053 0.000 2.425 363 C HA -0.065 4.395 4.460 0.000 0.000 0.277 363 C C 2.629 177.673 174.990 0.090 0.000 1.280 363 C CA 0.519 59.600 59.018 0.105 0.000 1.744 363 C CB -1.055 26.674 27.740 -0.019 0.000 1.989 363 C HN 0.668 nan 8.230 nan 0.000 0.491 364 D N 0.902 121.312 120.400 0.017 0.000 2.144 364 D HA -0.107 4.533 4.640 0.000 0.000 0.199 364 D C 2.128 178.415 176.300 -0.023 0.000 0.984 364 D CA 1.561 55.561 54.000 -0.000 0.000 0.834 364 D CB -0.095 40.688 40.800 -0.028 0.000 0.955 364 D HN 0.401 nan 8.370 nan 0.000 0.465 365 A N -0.613 122.155 122.820 -0.087 0.000 1.902 365 A HA -0.095 4.225 4.320 0.000 0.000 0.217 365 A C 1.655 179.081 177.584 -0.264 0.000 1.181 365 A CA 1.022 52.901 52.037 -0.263 0.000 0.623 365 A CB -0.804 17.885 19.000 -0.518 0.000 0.818 365 A HN 0.350 nan 8.150 nan 0.000 0.443 366 F N -0.267 119.694 119.950 0.019 0.000 2.693 366 F HA 0.182 4.709 4.527 0.000 0.000 0.303 366 F C 0.179 175.984 175.800 0.008 0.000 1.097 366 F CA 0.003 58.011 58.000 0.013 0.000 1.330 366 F CB -0.562 38.443 39.000 0.007 0.000 1.067 366 F HN 0.391 nan 8.300 nan 0.000 0.565 367 N N -0.768 118.015 118.700 0.137 0.000 2.746 367 N HA -0.165 4.575 4.740 0.000 0.000 0.250 367 N C -1.042 174.531 175.510 0.105 0.000 1.055 367 N CA 0.160 53.269 53.050 0.099 0.000 0.699 367 N CB -1.862 36.672 38.487 0.078 0.000 0.919 367 N HN 0.052 nan 8.380 nan 0.000 0.548 368 V N 0.279 120.265 119.914 0.119 0.000 2.448 368 V HA 0.525 4.645 4.120 0.000 0.000 0.295 368 V C -1.997 174.170 176.094 0.121 0.000 1.025 368 V CA -1.909 60.468 62.300 0.127 0.000 0.859 368 V CB 2.052 33.973 31.823 0.164 0.000 0.988 368 V HN 0.034 nan 8.190 nan 0.000 0.431 369 P HA 0.151 nan 4.420 nan 0.000 0.268 369 P C -0.914 176.469 177.300 0.138 0.000 1.204 369 P CA 0.120 63.286 63.100 0.110 0.000 0.768 369 P CB 0.603 32.362 31.700 0.099 0.000 0.842 370 V N 5.215 125.208 119.914 0.131 0.000 2.398 370 V HA 0.328 4.448 4.120 0.000 0.000 0.286 370 V C 0.180 176.349 176.094 0.126 0.000 1.026 370 V CA -0.505 61.893 62.300 0.164 0.000 0.868 370 V CB 1.059 32.995 31.823 0.188 0.000 0.982 370 V HN 0.308 nan 8.190 nan 0.000 0.443 371 L N 4.387 125.678 121.223 0.114 0.000 2.296 371 L HA 0.698 5.038 4.340 0.000 0.000 0.286 371 L C 0.221 177.066 176.870 -0.042 0.000 1.023 371 L CA -0.174 54.661 54.840 -0.009 0.000 0.812 371 L CB 1.815 43.877 42.059 0.005 0.000 1.223 371 L HN 0.712 nan 8.230 nan 0.000 0.421 372 T N 2.009 116.424 114.554 -0.231 0.000 2.824 372 T HA 0.670 5.020 4.350 0.000 0.000 0.282 372 T C -0.948 173.489 174.700 -0.438 0.000 0.993 372 T CA -0.338 61.668 62.100 -0.156 0.000 0.967 372 T CB 0.547 69.376 68.868 -0.065 0.000 0.960 372 T HN 0.205 nan 8.240 nan 0.000 0.441 373 F N 3.758 123.609 119.950 -0.164 0.000 2.426 373 F HA 0.615 5.142 4.527 0.000 0.000 0.348 373 F C -0.172 175.490 175.800 -0.230 0.000 1.124 373 F CA -0.990 56.874 58.000 -0.228 0.000 1.008 373 F CB 2.021 40.873 39.000 -0.248 0.000 1.139 373 F HN 0.297 nan 8.300 nan 0.000 0.452 374 V N 2.733 122.572 119.914 -0.124 0.000 2.378 374 V HA 0.321 4.441 4.120 0.000 0.000 0.288 374 V C -0.876 175.120 176.094 -0.164 0.000 1.016 374 V CA -0.522 61.691 62.300 -0.146 0.000 0.840 374 V CB 1.598 33.318 31.823 -0.172 0.000 0.994 374 V HN 0.659 nan 8.190 nan 0.000 0.431 375 D N 4.213 124.517 120.400 -0.159 0.000 2.613 375 D HA 0.200 4.840 4.640 0.000 0.000 0.312 375 D C -1.009 175.190 176.300 -0.169 0.000 1.202 375 D CA -0.041 53.860 54.000 -0.164 0.000 0.825 375 D CB 1.471 42.184 40.800 -0.145 0.000 1.113 375 D HN 0.305 nan 8.370 nan 0.000 0.502 376 V N 3.303 123.103 119.914 -0.191 0.000 2.347 376 V HA 0.564 4.684 4.120 0.000 0.000 0.280 376 V C -2.519 173.461 176.094 -0.191 0.000 1.021 376 V CA -2.108 60.071 62.300 -0.203 0.000 0.847 376 V CB 2.053 33.713 31.823 -0.272 0.000 0.990 376 V HN 0.219 nan 8.190 nan 0.000 0.444 377 P HA 0.436 nan 4.420 nan 0.000 0.284 377 P C 0.393 177.704 177.300 0.018 0.000 1.432 377 P CA 0.825 63.965 63.100 0.066 0.000 0.929 377 P CB 0.845 32.654 31.700 0.181 0.000 1.158 378 G N 3.549 112.323 108.800 -0.044 0.000 2.553 378 G HA2 -0.209 3.751 3.960 0.000 0.000 0.242 378 G HA3 -0.209 3.751 3.960 0.000 0.000 0.242 378 G C -1.149 173.507 174.900 -0.406 0.000 1.277 378 G CA -0.511 44.537 45.100 -0.087 0.000 0.910 378 G HN 0.370 nan 8.290 nan 0.000 0.576 379 F N -1.424 118.555 119.950 0.048 0.000 2.629 379 F HA 0.652 5.179 4.527 0.000 0.000 0.316 379 F C 0.341 176.155 175.800 0.024 0.000 1.081 379 F CA -0.935 57.079 58.000 0.024 0.000 0.954 379 F CB 1.686 40.695 39.000 0.015 0.000 1.337 379 F HN 0.568 nan 8.300 nan 0.000 0.474 380 L N 3.477 124.834 121.223 0.224 0.000 2.485 380 L HA 0.308 4.648 4.340 0.000 0.000 0.275 380 L C -2.498 174.440 176.870 0.113 0.000 1.207 380 L CA -1.469 53.448 54.840 0.127 0.000 0.855 380 L CB -0.257 41.837 42.059 0.059 0.000 1.114 380 L HN 0.238 nan 8.230 nan 0.000 0.485 381 P HA 0.571 nan 4.420 nan 0.000 0.303 381 P C -0.987 176.339 177.300 0.043 0.000 1.370 381 P CA -0.380 62.757 63.100 0.062 0.000 0.854 381 P CB 1.648 33.381 31.700 0.055 0.000 0.946 382 G N 0.920 109.732 108.800 0.019 0.000 2.733 382 G HA2 0.329 4.289 3.960 0.000 0.000 0.297 382 G HA3 0.329 4.289 3.960 0.000 0.000 0.297 382 G C 0.446 175.322 174.900 -0.040 0.000 1.422 382 G CA -0.522 44.576 45.100 -0.003 0.000 0.942 382 G HN 0.182 nan 8.290 nan 0.000 0.510 383 V N 1.222 121.085 119.914 -0.084 0.000 2.407 383 V HA -0.124 3.996 4.120 0.000 0.000 0.248 383 V C 2.662 178.623 176.094 -0.222 0.000 1.055 383 V CA 2.490 64.677 62.300 -0.189 0.000 1.049 383 V CB -0.370 31.305 31.823 -0.246 0.000 0.662 383 V HN 0.889 nan 8.190 nan 0.000 0.455 384 D N -0.705 119.626 120.400 -0.115 0.000 2.144 384 D HA -0.223 4.417 4.640 0.000 0.000 0.200 384 D C 1.935 178.242 176.300 0.012 0.000 0.978 384 D CA 0.986 54.962 54.000 -0.039 0.000 0.833 384 D CB -0.295 40.497 40.800 -0.013 0.000 0.961 384 D HN 0.400 nan 8.370 nan 0.000 0.470 385 Q N 0.351 120.149 119.800 -0.003 0.000 2.084 385 Q HA -0.111 4.229 4.340 0.000 0.000 0.202 385 Q C 2.166 178.175 176.000 0.016 0.000 0.978 385 Q CA 0.881 56.688 55.803 0.006 0.000 0.844 385 Q CB -0.082 28.657 28.738 0.002 0.000 0.898 385 Q HN 0.453 nan 8.270 nan 0.000 0.426 386 E N -0.128 120.086 120.200 0.024 0.000 2.106 386 E HA -0.171 4.179 4.350 0.000 0.000 0.192 386 E C 1.912 178.596 176.600 0.140 0.000 0.984 386 E CA 0.856 57.290 56.400 0.057 0.000 0.806 386 E CB -0.022 29.711 29.700 0.055 0.000 0.750 386 E HN 0.394 nan 8.360 nan 0.000 0.458 387 H N 1.148 120.211 119.070 -0.012 0.000 2.321 387 H HA -0.091 4.465 4.556 0.000 0.000 0.300 387 H C 1.741 177.062 175.328 -0.012 0.000 1.087 387 H CA 1.355 57.397 56.048 -0.010 0.000 1.319 387 H CB -0.160 29.598 29.762 -0.006 0.000 1.379 387 H HN 0.155 nan 8.280 nan 0.000 0.501 388 D N -0.845 119.624 120.400 0.115 0.000 2.144 388 D HA -0.025 4.615 4.640 0.000 0.000 0.199 388 D C 0.953 177.264 176.300 0.018 0.000 0.984 388 D CA 1.680 55.709 54.000 0.050 0.000 0.834 388 D CB 0.089 40.911 40.800 0.038 0.000 0.955 388 D HN 0.556 nan 8.370 nan 0.000 0.465 389 G N 0.805 109.616 108.800 0.018 0.000 2.414 389 G HA2 -0.171 3.789 3.960 0.000 0.000 0.191 389 G HA3 -0.171 3.789 3.960 0.000 0.000 0.191 389 G C 0.679 175.566 174.900 -0.021 0.000 1.082 389 G CA -0.012 45.085 45.100 -0.004 0.000 0.785 389 G HN 0.302 nan 8.290 nan 0.000 0.484 390 I N 0.124 120.679 120.570 -0.025 0.000 2.423 390 I HA -0.137 4.033 4.170 0.000 0.000 0.254 390 I C 2.482 178.552 176.117 -0.078 0.000 1.151 390 I CA 1.348 62.616 61.300 -0.053 0.000 1.421 390 I CB -0.014 37.944 38.000 -0.070 0.000 1.079 390 I HN 0.526 nan 8.210 nan 0.000 0.431 391 I N 1.030 121.561 120.570 -0.064 0.000 2.226 391 I HA -0.317 3.853 4.170 0.000 0.000 0.245 391 I C 2.678 178.760 176.117 -0.059 0.000 1.100 391 I CA 1.252 62.510 61.300 -0.070 0.000 1.374 391 I CB -0.510 37.462 38.000 -0.047 0.000 1.057 391 I HN 0.292 nan 8.210 nan 0.000 0.413 392 R N 1.279 121.751 120.500 -0.046 0.000 2.070 392 R HA -0.115 4.225 4.340 0.000 0.000 0.232 392 R C 2.372 178.645 176.300 -0.045 0.000 1.138 392 R CA 1.112 57.185 56.100 -0.044 0.000 0.936 392 R CB -0.723 29.552 30.300 -0.040 0.000 0.839 392 R HN 0.355 nan 8.270 nan 0.000 0.429 393 R N 0.700 121.176 120.500 -0.041 0.000 2.066 393 R HA -0.033 4.307 4.340 0.000 0.000 0.232 393 R C 2.626 178.910 176.300 -0.027 0.000 1.131 393 R CA 1.385 57.468 56.100 -0.028 0.000 0.955 393 R CB -0.654 29.636 30.300 -0.018 0.000 0.851 393 R HN 0.446 nan 8.270 nan 0.000 0.432 394 G N 0.994 109.760 108.800 -0.057 0.000 2.422 394 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 394 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 394 G C 1.566 176.447 174.900 -0.032 0.000 1.146 394 G CA 0.722 45.780 45.100 -0.070 0.000 0.769 394 G HN 0.403 nan 8.290 nan 0.000 0.547 395 A N 0.824 123.622 122.820 -0.036 0.000 2.019 395 A HA -0.010 4.310 4.320 0.000 0.000 0.219 395 A C 2.244 179.868 177.584 0.067 0.000 1.164 395 A CA 1.891 53.933 52.037 0.008 0.000 0.644 395 A CB -0.334 18.669 19.000 0.004 0.000 0.805 395 A HN 0.406 nan 8.150 nan 0.000 0.449 396 K N -0.899 119.525 120.400 0.039 0.000 2.211 396 K HA -0.136 4.184 4.320 0.000 0.000 0.204 396 K C 1.746 178.426 176.600 0.133 0.000 1.047 396 K CA 1.192 57.509 56.287 0.051 0.000 0.935 396 K CB -0.305 32.199 32.500 0.006 0.000 0.728 396 K HN 0.388 nan 8.250 nan 0.000 0.452 397 L N 1.486 122.784 121.223 0.125 0.000 2.046 397 L HA -0.145 4.195 4.340 0.000 0.000 0.208 397 L C 1.980 178.994 176.870 0.241 0.000 1.077 397 L CA 1.439 56.383 54.840 0.173 0.000 0.747 397 L CB -0.489 41.681 42.059 0.184 0.000 0.896 397 L HN 0.225 nan 8.230 nan 0.000 0.432 398 I N -3.591 117.098 120.570 0.199 0.000 2.226 398 I HA -0.257 3.913 4.170 0.000 0.000 0.245 398 I C 2.424 178.652 176.117 0.185 0.000 1.100 398 I CA 1.796 63.202 61.300 0.175 0.000 1.374 398 I CB -1.138 36.926 38.000 0.107 0.000 1.057 398 I HN 0.144 nan 8.210 nan 0.000 0.413 399 F N 1.710 121.695 119.950 0.058 0.000 2.134 399 F HA -0.101 4.426 4.527 0.000 0.000 0.299 399 F C 2.508 178.328 175.800 0.033 0.000 1.097 399 F CA 1.701 59.724 58.000 0.037 0.000 1.264 399 F CB -0.299 38.713 39.000 0.020 0.000 1.001 399 F HN 0.160 nan 8.300 nan 0.000 0.479 400 A N -0.603 122.373 122.820 0.260 0.000 1.877 400 A HA -0.217 4.103 4.320 0.000 0.000 0.216 400 A C 1.963 179.527 177.584 -0.034 0.000 1.186 400 A CA 1.702 53.799 52.037 0.099 0.000 0.620 400 A CB -1.503 17.496 19.000 -0.001 0.000 0.822 400 A HN 0.504 nan 8.150 nan 0.000 0.443 401 Y N 0.018 120.339 120.300 0.034 0.000 2.224 401 Y HA -0.084 4.466 4.550 0.000 0.000 0.289 401 Y C 2.906 178.773 175.900 -0.055 0.000 1.146 401 Y CA 0.732 58.828 58.100 -0.007 0.000 1.182 401 Y CB -0.608 37.845 38.460 -0.013 0.000 0.983 401 Y HN 0.339 nan 8.280 nan 0.000 0.524 402 A N 0.403 123.254 122.820 0.052 0.000 1.858 402 A HA -0.281 4.039 4.320 0.000 0.000 0.216 402 A C 2.224 179.734 177.584 -0.124 0.000 1.190 402 A CA 2.017 54.007 52.037 -0.078 0.000 0.617 402 A CB -0.867 18.011 19.000 -0.202 0.000 0.827 402 A HN 0.600 nan 8.150 nan 0.000 0.443 403 E N 0.376 120.464 120.200 -0.187 0.000 2.077 403 E HA 0.066 4.416 4.350 0.000 0.000 0.193 403 E C 1.047 177.605 176.600 -0.071 0.000 0.989 403 E CA 0.640 56.934 56.400 -0.176 0.000 0.800 403 E CB -0.393 29.226 29.700 -0.135 0.000 0.746 403 E HN 0.497 nan 8.360 nan 0.000 0.452 404 A N 1.090 123.890 122.820 -0.033 0.000 2.520 404 A HA 0.119 4.439 4.320 0.000 0.000 0.245 404 A C 0.952 178.537 177.584 0.002 0.000 1.072 404 A CA 0.472 52.502 52.037 -0.012 0.000 0.761 404 A CB 0.295 19.289 19.000 -0.011 0.000 1.004 404 A HN 0.437 nan 8.150 nan 0.000 0.499 405 T N -0.075 114.479 114.554 0.000 0.000 3.069 405 T HA 0.275 4.625 4.350 0.000 0.000 0.252 405 T C 0.606 175.316 174.700 0.018 0.000 1.053 405 T CA 0.477 62.580 62.100 0.004 0.000 0.964 405 T CB -1.148 67.719 68.868 -0.003 0.000 1.005 405 T HN 1.201 nan 8.240 nan 0.000 0.532 406 V N -0.462 119.469 119.914 0.027 0.000 3.051 406 V HA 0.505 4.625 4.120 0.000 0.000 0.306 406 V C -2.850 173.274 176.094 0.050 0.000 1.083 406 V CA -2.502 59.823 62.300 0.042 0.000 1.104 406 V CB 0.097 31.952 31.823 0.053 0.000 1.027 406 V HN -0.042 nan 8.190 nan 0.000 0.483 407 P HA 0.231 nan 4.420 nan 0.000 0.267 407 P C -0.842 176.493 177.300 0.058 0.000 1.205 407 P CA 0.055 63.183 63.100 0.047 0.000 0.765 407 P CB 0.253 31.982 31.700 0.047 0.000 0.828 408 L N 5.511 126.763 121.223 0.048 0.000 2.296 408 L HA 0.464 4.804 4.340 0.000 0.000 0.286 408 L C 0.120 176.990 176.870 -0.001 0.000 1.023 408 L CA -0.279 54.592 54.840 0.051 0.000 0.812 408 L CB 0.864 42.962 42.059 0.066 0.000 1.223 408 L HN 0.353 nan 8.230 nan 0.000 0.421 409 I N 2.680 123.236 120.570 -0.023 0.000 2.465 409 I HA 0.389 4.559 4.170 0.000 0.000 0.291 409 I C -0.145 175.864 176.117 -0.179 0.000 1.014 409 I CA -0.132 61.115 61.300 -0.089 0.000 1.093 409 I CB 2.285 40.241 38.000 -0.073 0.000 1.267 409 I HN 0.498 nan 8.210 nan 0.000 0.431 410 T N 5.292 119.712 114.554 -0.223 0.000 2.824 410 T HA 0.665 5.015 4.350 0.000 0.000 0.282 410 T C -0.514 173.980 174.700 -0.342 0.000 0.993 410 T CA -0.617 61.298 62.100 -0.309 0.000 0.967 410 T CB 1.867 70.566 68.868 -0.282 0.000 0.960 410 T HN 0.173 nan 8.240 nan 0.000 0.441 411 V N 3.847 123.472 119.914 -0.482 0.000 2.656 411 V HA 0.557 4.677 4.120 0.000 0.000 0.307 411 V C -0.547 175.281 176.094 -0.444 0.000 1.051 411 V CA -0.936 61.091 62.300 -0.455 0.000 0.893 411 V CB 1.942 33.460 31.823 -0.509 0.000 0.999 411 V HN 0.832 nan 8.190 nan 0.000 0.426 412 I N 3.567 123.894 120.570 -0.405 0.000 2.355 412 I HA 0.324 4.494 4.170 0.000 0.000 0.288 412 I C 1.134 176.965 176.117 -0.478 0.000 0.999 412 I CA -0.220 60.874 61.300 -0.343 0.000 1.163 412 I CB 2.043 39.926 38.000 -0.195 0.000 1.316 412 I HN 0.838 nan 8.210 nan 0.000 0.454 413 T N 2.356 116.612 114.554 -0.497 0.000 3.044 413 T HA 0.324 4.674 4.350 0.000 0.000 0.250 413 T C 0.876 175.535 174.700 -0.069 0.000 1.081 413 T CA 0.136 61.930 62.100 -0.509 0.000 1.040 413 T CB 0.525 69.007 68.868 -0.644 0.000 0.962 413 T HN 0.537 nan 8.240 nan 0.000 0.506 414 R N 0.248 120.688 120.500 -0.100 0.000 3.217 414 R HA 0.373 4.713 4.340 0.000 0.000 0.261 414 R C -1.370 174.829 176.300 -0.168 0.000 1.028 414 R CA -0.837 55.239 56.100 -0.040 0.000 0.895 414 R CB 0.963 31.293 30.300 0.050 0.000 1.487 414 R HN 0.143 nan 8.270 nan 0.000 0.419 415 K N 0.913 121.174 120.400 -0.231 0.000 2.416 415 K HA 0.406 4.726 4.320 0.000 0.000 0.283 415 K C -0.576 175.652 176.600 -0.620 0.000 1.037 415 K CA 0.059 56.016 56.287 -0.551 0.000 0.995 415 K CB 0.983 33.069 32.500 -0.690 0.000 0.938 415 K HN 0.499 nan 8.250 nan 0.000 0.475 416 A N 3.892 126.328 122.820 -0.640 0.000 2.273 416 A HA 0.648 4.968 4.320 0.000 0.000 0.315 416 A C -1.335 176.006 177.584 -0.406 0.000 1.256 416 A CA -0.708 51.106 52.037 -0.372 0.000 0.851 416 A CB 0.092 19.046 19.000 -0.077 0.000 1.172 416 A HN 0.528 nan 8.150 nan 0.000 0.508 417 F N 1.625 121.571 119.950 -0.007 0.000 2.529 417 F HA 0.709 5.236 4.527 0.000 0.000 0.320 417 F C 0.859 176.675 175.800 0.026 0.000 1.118 417 F CA -0.064 57.934 58.000 -0.004 0.000 0.915 417 F CB 1.766 40.760 39.000 -0.011 0.000 1.161 417 F HN 1.269 nan 8.300 nan 0.000 0.445 418 G N 1.698 110.655 108.800 0.262 0.000 2.642 418 G HA2 -0.048 3.912 3.960 0.000 0.000 0.231 418 G HA3 -0.048 3.912 3.960 0.000 0.000 0.231 418 G C 0.997 176.033 174.900 0.226 0.000 1.338 418 G CA -0.211 45.011 45.100 0.203 0.000 0.883 418 G HN 1.256 nan 8.290 nan 0.000 0.570 419 G N -0.342 108.596 108.800 0.230 0.000 2.448 419 G HA2 0.247 4.207 3.960 0.000 0.000 0.219 419 G HA3 0.247 4.207 3.960 0.000 0.000 0.219 419 G C 2.117 177.186 174.900 0.281 0.000 1.127 419 G CA 2.717 47.948 45.100 0.219 0.000 0.766 419 G HN 2.002 nan 8.290 nan 0.000 0.552 420 A N 0.309 123.336 122.820 0.345 0.000 1.978 420 A HA -0.092 4.228 4.320 0.000 0.000 0.220 420 A C 2.106 179.695 177.584 0.008 0.000 1.170 420 A CA 1.730 53.810 52.037 0.072 0.000 0.636 420 A CB -0.614 17.986 19.000 -0.666 0.000 0.810 420 A HN 0.630 nan 8.150 nan 0.000 0.448 421 Y N 0.588 120.856 120.300 -0.054 0.000 2.181 421 Y HA -0.086 4.464 4.550 0.000 0.000 0.288 421 Y C 2.462 178.284 175.900 -0.130 0.000 1.146 421 Y CA 1.269 59.306 58.100 -0.105 0.000 1.164 421 Y CB -0.672 37.740 38.460 -0.080 0.000 0.982 421 Y HN 0.270 nan 8.280 nan 0.000 0.515 422 A N 0.103 122.638 122.820 -0.475 0.000 1.902 422 A HA -0.127 4.193 4.320 0.000 0.000 0.217 422 A C 2.288 179.674 177.584 -0.330 0.000 1.181 422 A CA 2.083 53.782 52.037 -0.563 0.000 0.623 422 A CB -1.336 17.480 19.000 -0.307 0.000 0.818 422 A HN 0.384 nan 8.150 nan 0.000 0.443 423 V N 0.452 120.292 119.914 -0.123 0.000 2.407 423 V HA -0.190 3.930 4.120 0.000 0.000 0.248 423 V C 1.357 177.382 176.094 -0.115 0.000 1.055 423 V CA 1.257 63.553 62.300 -0.007 0.000 1.049 423 V CB -0.821 31.131 31.823 0.215 0.000 0.662 423 V HN 0.544 nan 8.190 nan 0.000 0.455 424 M N 1.095 120.564 119.600 -0.219 0.000 3.436 424 M HA 0.324 4.804 4.480 0.000 0.000 0.240 424 M C 1.274 177.223 176.300 -0.585 0.000 1.469 424 M CA 0.575 55.673 55.300 -0.337 0.000 1.622 424 M CB -1.079 31.373 32.600 -0.247 0.000 1.098 424 M HN 0.439 nan 8.290 nan 0.000 0.568 425 G N 2.097 110.323 108.800 -0.956 0.000 2.341 425 G HA2 -0.253 3.707 3.960 0.000 0.000 0.292 425 G HA3 -0.253 3.707 3.960 0.000 0.000 0.292 425 G C 0.375 174.987 174.900 -0.479 0.000 1.021 425 G CA 0.605 45.165 45.100 -0.900 0.000 0.905 425 G HN 0.795 nan 8.290 nan 0.000 0.508 426 S N -1.179 114.250 115.700 -0.452 0.000 2.573 426 S HA 0.309 4.779 4.470 0.000 0.000 0.277 426 S C 1.512 176.009 174.600 -0.172 0.000 1.346 426 S CA 0.506 58.473 58.200 -0.389 0.000 1.034 426 S CB 1.662 64.453 63.200 -0.681 0.000 0.879 426 S HN 0.620 nan 8.310 nan 0.000 0.528 427 K N 1.098 121.462 120.400 -0.060 0.000 2.103 427 K HA -0.208 4.112 4.320 0.000 0.000 0.207 427 K C 1.786 178.334 176.600 -0.087 0.000 1.048 427 K CA 1.781 58.013 56.287 -0.091 0.000 0.930 427 K CB -0.397 32.030 32.500 -0.122 0.000 0.716 427 K HN 0.842 nan 8.250 nan 0.000 0.444 428 H N -0.189 118.749 119.070 -0.219 0.000 2.387 428 H HA -0.131 4.425 4.556 0.000 0.000 0.299 428 H C 2.038 177.281 175.328 -0.143 0.000 1.090 428 H CA 1.019 56.954 56.048 -0.189 0.000 1.332 428 H CB 0.057 29.678 29.762 -0.235 0.000 1.386 428 H HN 0.142 nan 8.280 nan 0.000 0.516 429 L N -0.073 121.141 121.223 -0.015 0.000 2.083 429 L HA -0.064 4.276 4.340 0.000 0.000 0.209 429 L C 1.885 178.733 176.870 -0.036 0.000 1.083 429 L CA 2.125 56.940 54.840 -0.041 0.000 0.752 429 L CB -0.546 41.473 42.059 -0.068 0.000 0.899 429 L HN 0.593 nan 8.230 nan 0.000 0.433 430 G N -3.256 105.516 108.800 -0.046 0.000 3.268 430 G HA2 0.062 4.022 3.960 0.000 0.000 0.220 430 G HA3 0.062 4.022 3.960 0.000 0.000 0.220 430 G C 0.278 175.157 174.900 -0.035 0.000 0.942 430 G CA -0.132 44.945 45.100 -0.038 0.000 0.918 430 G HN 0.550 nan 8.290 nan 0.000 0.658 431 A N 0.643 123.429 122.820 -0.057 0.000 2.440 431 A HA 0.530 4.850 4.320 0.000 0.000 0.251 431 A C 1.217 178.771 177.584 -0.050 0.000 1.089 431 A CA 0.700 52.704 52.037 -0.055 0.000 0.779 431 A CB 0.334 19.268 19.000 -0.111 0.000 1.022 431 A HN 0.218 nan 8.150 nan 0.000 0.492 432 D N 1.297 121.678 120.400 -0.031 0.000 2.097 432 D HA -0.032 4.608 4.640 0.000 0.000 0.197 432 D C 0.190 176.471 176.300 -0.031 0.000 0.984 432 D CA 1.327 55.313 54.000 -0.023 0.000 0.826 432 D CB 0.048 40.844 40.800 -0.006 0.000 0.973 432 D HN 0.451 nan 8.370 nan 0.000 0.460 433 L N 1.109 122.306 121.223 -0.043 0.000 2.385 433 L HA 0.338 4.678 4.340 0.000 0.000 0.273 433 L C -0.570 176.245 176.870 -0.091 0.000 0.990 433 L CA -0.577 54.228 54.840 -0.057 0.000 0.821 433 L CB 2.245 44.276 42.059 -0.046 0.000 1.279 433 L HN -0.164 nan 8.230 nan 0.000 0.412 434 N N 5.021 123.665 118.700 -0.092 0.000 2.314 434 N HA 0.672 5.412 4.740 0.000 0.000 0.294 434 N C -1.429 174.007 175.510 -0.124 0.000 1.029 434 N CA -0.584 52.399 53.050 -0.112 0.000 0.845 434 N CB 2.809 41.254 38.487 -0.070 0.000 1.321 434 N HN 0.313 nan 8.380 nan 0.000 0.481 435 L N 1.011 122.134 121.223 -0.167 0.000 2.386 435 L HA 0.817 5.157 4.340 0.000 0.000 0.271 435 L C -0.368 176.409 176.870 -0.155 0.000 0.993 435 L CA -0.981 53.757 54.840 -0.170 0.000 0.819 435 L CB 2.002 43.928 42.059 -0.222 0.000 1.294 435 L HN 0.461 nan 8.230 nan 0.000 0.414 436 A N 1.538 124.310 122.820 -0.080 0.000 2.343 436 A HA 0.745 5.065 4.320 0.000 0.000 0.308 436 A C -1.371 176.289 177.584 0.126 0.000 1.092 436 A CA -0.467 51.532 52.037 -0.064 0.000 0.751 436 A CB 0.742 19.693 19.000 -0.082 0.000 1.203 436 A HN 0.553 nan 8.150 nan 0.000 0.452 437 W N 2.337 123.597 121.300 -0.067 0.000 2.126 437 W HA 0.377 5.037 4.660 0.000 0.000 0.346 437 W C -1.962 174.496 176.519 -0.101 0.000 1.279 437 W CA -1.767 55.546 57.345 -0.053 0.000 1.259 437 W CB -0.340 29.109 29.460 -0.018 0.000 1.133 437 W HN 0.498 nan 8.180 nan 0.000 0.592 438 P HA -0.166 nan 4.420 nan 0.000 0.218 438 P C 1.611 178.949 177.300 0.063 0.000 1.149 438 P CA 2.882 66.010 63.100 0.047 0.000 0.817 438 P CB -0.045 31.705 31.700 0.084 0.000 0.785 439 T N -2.200 112.434 114.554 0.134 0.000 2.788 439 T HA -0.036 4.314 4.350 0.000 0.000 0.268 439 T C 1.140 175.880 174.700 0.067 0.000 1.044 439 T CA 0.709 62.880 62.100 0.118 0.000 1.139 439 T CB -1.205 67.772 68.868 0.181 0.000 0.867 439 T HN 0.086 nan 8.240 nan 0.000 0.454 440 A N 1.974 124.824 122.820 0.049 0.000 2.520 440 A HA 0.370 4.690 4.320 0.000 0.000 0.245 440 A C 0.054 177.586 177.584 -0.086 0.000 1.072 440 A CA -0.372 51.636 52.037 -0.049 0.000 0.761 440 A CB -0.094 18.851 19.000 -0.092 0.000 1.004 440 A HN 0.645 nan 8.150 nan 0.000 0.499 441 Q N 1.733 121.446 119.800 -0.144 0.000 2.333 441 Q HA 0.606 4.946 4.340 0.000 0.000 0.268 441 Q C -0.960 174.906 176.000 -0.224 0.000 1.007 441 Q CA -0.155 55.581 55.803 -0.111 0.000 0.810 441 Q CB 2.127 30.858 28.738 -0.011 0.000 1.264 441 Q HN 0.693 nan 8.270 nan 0.000 0.452 442 I N 1.453 121.968 120.570 -0.091 0.000 2.404 442 I HA 0.844 5.014 4.170 0.000 0.000 0.293 442 I C -0.412 175.757 176.117 0.087 0.000 0.992 442 I CA -0.874 60.349 61.300 -0.129 0.000 1.149 442 I CB 1.592 39.432 38.000 -0.265 0.000 1.315 442 I HN 0.654 nan 8.210 nan 0.000 0.446 443 A N 4.552 127.532 122.820 0.266 0.000 2.594 443 A HA 0.520 4.840 4.320 0.000 0.000 0.291 443 A C 0.220 177.919 177.584 0.191 0.000 1.105 443 A CA -0.445 51.783 52.037 0.318 0.000 0.694 443 A CB 1.709 20.951 19.000 0.403 0.000 1.291 443 A HN 0.500 nan 8.150 nan 0.000 0.410 444 V N 0.643 120.634 119.914 0.128 0.000 2.343 444 V HA 0.077 4.197 4.120 0.000 0.000 0.247 444 V C 0.690 176.810 176.094 0.042 0.000 1.051 444 V CA 2.955 65.308 62.300 0.088 0.000 1.036 444 V CB -0.610 31.257 31.823 0.073 0.000 0.654 444 V HN 0.979 nan 8.190 nan 0.000 0.451 445 M N -2.185 117.374 119.600 -0.069 0.000 2.773 445 M HA 0.635 5.115 4.480 0.000 0.000 0.270 445 M C -0.029 175.945 176.300 -0.543 0.000 1.238 445 M CA -0.258 54.906 55.300 -0.226 0.000 0.832 445 M CB 1.171 33.679 32.600 -0.153 0.000 1.672 445 M HN 0.022 nan 8.290 nan 0.000 0.480 446 G N 0.268 108.702 108.800 -0.609 0.000 2.491 446 G HA2 0.417 4.377 3.960 0.000 0.000 0.238 446 G HA3 0.417 4.377 3.960 0.000 0.000 0.238 446 G C 0.813 175.451 174.900 -0.436 0.000 1.277 446 G CA -0.026 44.666 45.100 -0.679 0.000 0.851 446 G HN 1.052 nan 8.290 nan 0.000 0.573 447 A N 1.024 123.638 122.820 -0.343 0.000 2.024 447 A HA -0.125 4.195 4.320 0.000 0.000 0.220 447 A C 2.256 179.645 177.584 -0.325 0.000 1.164 447 A CA 1.855 53.699 52.037 -0.322 0.000 0.643 447 A CB -0.329 18.625 19.000 -0.076 0.000 0.806 447 A HN 0.682 nan 8.150 nan 0.000 0.451 448 Q N -0.825 118.845 119.800 -0.218 0.000 2.020 448 Q HA -0.154 4.186 4.340 0.000 0.000 0.202 448 Q C 2.286 178.195 176.000 -0.153 0.000 0.982 448 Q CA 1.791 57.505 55.803 -0.148 0.000 0.838 448 Q CB -0.586 28.090 28.738 -0.103 0.000 0.899 448 Q HN 0.649 nan 8.270 nan 0.000 0.423 449 G N 0.264 108.964 108.800 -0.168 0.000 2.422 449 G HA2 -0.184 3.776 3.960 0.000 0.000 0.218 449 G HA3 -0.184 3.776 3.960 0.000 0.000 0.218 449 G C 1.493 176.280 174.900 -0.188 0.000 1.146 449 G CA 1.060 46.073 45.100 -0.144 0.000 0.769 449 G HN 0.457 nan 8.290 nan 0.000 0.547 450 A N 0.708 123.346 122.820 -0.305 0.000 1.877 450 A HA 0.012 4.332 4.320 0.000 0.000 0.216 450 A C 2.733 180.072 177.584 -0.408 0.000 1.186 450 A CA 2.589 54.358 52.037 -0.446 0.000 0.620 450 A CB -0.960 17.538 19.000 -0.837 0.000 0.822 450 A HN 0.961 nan 8.150 nan 0.000 0.443 451 V N -1.047 118.650 119.914 -0.361 0.000 2.515 451 V HA -0.258 3.862 4.120 0.000 0.000 0.250 451 V C 1.778 177.863 176.094 -0.015 0.000 1.058 451 V CA 2.490 64.744 62.300 -0.076 0.000 1.064 451 V CB -1.358 30.460 31.823 -0.008 0.000 0.675 451 V HN 0.618 nan 8.190 nan 0.000 0.461 452 N N 0.348 119.005 118.700 -0.071 0.000 2.043 452 N HA -0.145 4.595 4.740 0.000 0.000 0.193 452 N C 1.798 177.288 175.510 -0.033 0.000 1.037 452 N CA 2.200 55.227 53.050 -0.037 0.000 0.851 452 N CB -0.279 38.176 38.487 -0.053 0.000 1.027 452 N HN 0.559 nan 8.380 nan 0.000 0.422 453 I N 0.932 121.460 120.570 -0.070 0.000 2.286 453 I HA -0.227 3.943 4.170 0.000 0.000 0.245 453 I C 2.015 178.072 176.117 -0.099 0.000 1.104 453 I CA 0.715 61.973 61.300 -0.071 0.000 1.397 453 I CB -0.169 37.787 38.000 -0.074 0.000 1.072 453 I HN 0.188 nan 8.210 nan 0.000 0.417 454 L N -0.108 121.009 121.223 -0.177 0.000 2.046 454 L HA -0.200 4.140 4.340 0.000 0.000 0.208 454 L C 1.793 178.445 176.870 -0.363 0.000 1.077 454 L CA 1.457 56.094 54.840 -0.338 0.000 0.747 454 L CB -0.798 40.918 42.059 -0.572 0.000 0.896 454 L HN 0.446 nan 8.230 nan 0.000 0.432 455 H N -1.228 117.841 119.070 -0.001 0.000 2.592 455 H HA 0.104 4.660 4.556 0.000 0.000 0.279 455 H C 1.797 177.123 175.328 -0.004 0.000 1.089 455 H CA -0.049 56.001 56.048 0.003 0.000 1.150 455 H CB 0.413 30.179 29.762 0.007 0.000 1.575 455 H HN 0.210 nan 8.280 nan 0.000 0.547 456 R N 1.943 122.480 120.500 0.061 0.000 2.081 456 R HA -0.054 4.286 4.340 0.000 0.000 0.235 456 R C 1.909 178.228 176.300 0.033 0.000 1.131 456 R CA 1.323 57.444 56.100 0.035 0.000 0.960 456 R CB -0.053 30.250 30.300 0.006 0.000 0.856 456 R HN 0.116 nan 8.270 nan 0.000 0.436 457 R N -0.272 120.246 120.500 0.031 0.000 2.096 457 R HA -0.041 4.299 4.340 0.000 0.000 0.235 457 R C 2.151 178.473 176.300 0.036 0.000 1.127 457 R CA 1.836 57.952 56.100 0.027 0.000 0.968 457 R CB -0.682 29.631 30.300 0.022 0.000 0.861 457 R HN 0.307 nan 8.270 nan 0.000 0.440 458 T N 1.794 116.384 114.554 0.059 0.000 2.746 458 T HA -0.084 4.266 4.350 0.000 0.000 0.267 458 T C 1.875 176.595 174.700 0.033 0.000 1.039 458 T CA 0.891 63.023 62.100 0.053 0.000 1.142 458 T CB -0.094 68.822 68.868 0.080 0.000 0.866 458 T HN 0.012 nan 8.240 nan 0.000 0.444 459 I N 1.750 122.344 120.570 0.040 0.000 2.226 459 I HA -0.055 4.115 4.170 0.000 0.000 0.245 459 I C 2.783 178.908 176.117 0.013 0.000 1.100 459 I CA 0.537 61.851 61.300 0.023 0.000 1.374 459 I CB -1.535 36.481 38.000 0.027 0.000 1.057 459 I HN 0.184 nan 8.210 nan 0.000 0.413 460 A N -0.364 122.465 122.820 0.015 0.000 1.933 460 A HA -0.164 4.156 4.320 0.000 0.000 0.218 460 A C 1.053 178.642 177.584 0.008 0.000 1.175 460 A CA 0.909 52.951 52.037 0.009 0.000 0.628 460 A CB -0.664 18.341 19.000 0.009 0.000 0.814 460 A HN 0.317 nan 8.150 nan 0.000 0.444 461 D N -0.264 120.143 120.400 0.011 0.000 2.458 461 D HA 0.393 5.033 4.640 0.000 0.000 0.243 461 D C 0.516 176.819 176.300 0.005 0.000 1.146 461 D CA 1.522 55.527 54.000 0.009 0.000 0.877 461 D CB 0.373 41.181 40.800 0.013 0.000 1.176 461 D HN 0.864 nan 8.370 nan 0.000 0.461 462 A N 2.507 125.330 122.820 0.003 0.000 2.165 462 A HA -0.071 4.249 4.320 0.000 0.000 0.272 462 A C 1.613 179.197 177.584 0.000 0.000 1.398 462 A CA 0.724 52.762 52.037 0.001 0.000 0.726 462 A CB -1.628 17.372 19.000 -0.000 0.000 1.179 462 A HN 0.711 nan 8.150 nan 0.000 0.327 463 G N 0.646 109.446 108.800 0.000 0.000 2.448 463 G HA2 0.101 4.061 3.960 0.000 0.000 0.219 463 G HA3 0.101 4.061 3.960 0.000 0.000 0.219 463 G C 0.279 175.178 174.900 -0.001 0.000 1.127 463 G CA 1.002 46.102 45.100 -0.000 0.000 0.766 463 G HN 0.937 nan 8.290 nan 0.000 0.552 464 D N 0.747 121.146 120.400 -0.001 0.000 2.443 464 D HA 0.337 4.977 4.640 0.000 0.000 0.239 464 D C 0.114 176.412 176.300 -0.003 0.000 1.136 464 D CA 0.123 54.122 54.000 -0.002 0.000 0.879 464 D CB 0.313 41.112 40.800 -0.002 0.000 1.195 464 D HN 0.244 nan 8.370 nan 0.000 0.443 465 D N 0.132 120.530 120.400 -0.004 0.000 2.723 465 D HA -0.223 4.417 4.640 0.000 0.000 0.236 465 D C 0.888 177.184 176.300 -0.007 0.000 1.138 465 D CA 0.776 54.773 54.000 -0.006 0.000 0.676 465 D CB -0.915 39.881 40.800 -0.006 0.000 1.069 465 D HN 0.460 nan 8.370 nan 0.000 0.430 466 A N -0.115 122.702 122.820 -0.005 0.000 1.858 466 A HA -0.191 4.129 4.320 0.000 0.000 0.216 466 A C 2.088 179.667 177.584 -0.007 0.000 1.190 466 A CA 1.736 53.769 52.037 -0.005 0.000 0.617 466 A CB -0.196 18.802 19.000 -0.004 0.000 0.827 466 A HN 0.283 nan 8.150 nan 0.000 0.443 467 E N -0.197 119.999 120.200 -0.007 0.000 2.077 467 E HA -0.014 4.336 4.350 0.000 0.000 0.193 467 E C 2.236 178.830 176.600 -0.010 0.000 0.989 467 E CA 1.337 57.732 56.400 -0.008 0.000 0.800 467 E CB -0.419 29.277 29.700 -0.007 0.000 0.746 467 E HN 0.553 nan 8.360 nan 0.000 0.452 468 A N -0.115 122.699 122.820 -0.010 0.000 1.877 468 A HA -0.197 4.123 4.320 0.000 0.000 0.216 468 A C 2.380 179.954 177.584 -0.016 0.000 1.186 468 A CA 2.121 54.151 52.037 -0.011 0.000 0.620 468 A CB -1.011 17.983 19.000 -0.009 0.000 0.822 468 A HN 0.286 nan 8.150 nan 0.000 0.443 469 T N -0.648 113.895 114.554 -0.019 0.000 2.746 469 T HA -0.150 4.200 4.350 0.000 0.000 0.267 469 T C 2.070 176.747 174.700 -0.038 0.000 1.039 469 T CA 1.512 63.594 62.100 -0.029 0.000 1.142 469 T CB -0.253 68.600 68.868 -0.026 0.000 0.866 469 T HN 0.619 nan 8.240 nan 0.000 0.444 470 R N 1.193 121.677 120.500 -0.026 0.000 2.073 470 R HA -0.002 4.338 4.340 0.000 0.000 0.234 470 R C 2.580 178.867 176.300 -0.022 0.000 1.134 470 R CA 1.479 57.566 56.100 -0.023 0.000 0.952 470 R CB -0.510 29.783 30.300 -0.012 0.000 0.850 470 R HN 0.345 nan 8.270 nan 0.000 0.433 471 A N 1.770 124.580 122.820 -0.016 0.000 1.902 471 A HA -0.197 4.123 4.320 0.000 0.000 0.217 471 A C 2.249 179.827 177.584 -0.011 0.000 1.181 471 A CA 1.492 53.522 52.037 -0.011 0.000 0.623 471 A CB -0.647 18.349 19.000 -0.007 0.000 0.818 471 A HN 0.539 nan 8.150 nan 0.000 0.443 472 R N -0.248 120.241 120.500 -0.018 0.000 2.073 472 R HA -0.083 4.257 4.340 0.000 0.000 0.234 472 R C 1.877 178.164 176.300 -0.022 0.000 1.134 472 R CA 1.818 57.907 56.100 -0.018 0.000 0.952 472 R CB -0.519 29.765 30.300 -0.026 0.000 0.850 472 R HN 0.441 nan 8.270 nan 0.000 0.433 473 L N 0.537 121.732 121.223 -0.047 0.000 2.056 473 L HA -0.127 4.213 4.340 0.000 0.000 0.207 473 L C 2.542 179.418 176.870 0.010 0.000 1.078 473 L CA 1.170 55.967 54.840 -0.071 0.000 0.749 473 L CB -0.251 41.699 42.059 -0.182 0.000 0.901 473 L HN 0.257 nan 8.230 nan 0.000 0.433 474 I N -0.654 119.922 120.570 0.009 0.000 2.361 474 I HA -0.297 3.873 4.170 0.000 0.000 0.251 474 I C 2.741 178.896 176.117 0.062 0.000 1.133 474 I CA 1.016 62.330 61.300 0.024 0.000 1.413 474 I CB -0.247 37.750 38.000 -0.006 0.000 1.073 474 I HN 0.416 nan 8.210 nan 0.000 0.424 475 Q N 1.210 121.037 119.800 0.046 0.000 2.084 475 Q HA -0.242 4.098 4.340 0.000 0.000 0.202 475 Q C 1.873 177.915 176.000 0.070 0.000 0.978 475 Q CA 1.742 57.578 55.803 0.054 0.000 0.844 475 Q CB -0.056 28.700 28.738 0.029 0.000 0.898 475 Q HN 0.569 nan 8.270 nan 0.000 0.426 476 E N -0.706 119.531 120.200 0.062 0.000 2.077 476 E HA -0.206 4.144 4.350 0.000 0.000 0.193 476 E C 1.867 178.523 176.600 0.093 0.000 0.989 476 E CA 1.191 57.624 56.400 0.055 0.000 0.800 476 E CB -0.265 29.452 29.700 0.028 0.000 0.746 476 E HN 0.361 nan 8.360 nan 0.000 0.452 477 Y N 2.293 122.609 120.300 0.027 0.000 2.163 477 Y HA -0.218 4.332 4.550 0.000 0.000 0.288 477 Y C 2.332 178.255 175.900 0.039 0.000 1.136 477 Y CA 2.058 60.184 58.100 0.043 0.000 1.147 477 Y CB -0.078 38.415 38.460 0.055 0.000 0.987 477 Y HN 0.073 nan 8.280 nan 0.000 0.509 478 E N -1.058 119.338 120.200 0.326 0.000 2.106 478 E HA -0.228 4.122 4.350 0.000 0.000 0.192 478 E C 1.739 178.409 176.600 0.116 0.000 0.984 478 E CA 1.474 58.003 56.400 0.215 0.000 0.806 478 E CB -0.542 29.260 29.700 0.169 0.000 0.750 478 E HN 0.456 nan 8.360 nan 0.000 0.458 479 D N 0.743 121.195 120.400 0.086 0.000 2.117 479 D HA -0.100 4.540 4.640 0.000 0.000 0.197 479 D C 1.526 177.847 176.300 0.035 0.000 0.987 479 D CA 1.857 55.890 54.000 0.055 0.000 0.829 479 D CB 0.151 40.975 40.800 0.040 0.000 0.961 479 D HN 0.371 nan 8.370 nan 0.000 0.460 480 A N -1.027 121.792 122.820 -0.002 0.000 2.431 480 A HA 0.226 4.546 4.320 0.000 0.000 0.239 480 A C 1.579 179.117 177.584 -0.075 0.000 1.230 480 A CA -0.065 51.951 52.037 -0.035 0.000 0.928 480 A CB 0.484 19.451 19.000 -0.054 0.000 1.006 480 A HN 0.098 nan 8.150 nan 0.000 0.520 481 L N -1.627 119.533 121.223 -0.106 0.000 2.600 481 L HA 0.341 4.681 4.340 0.000 0.000 0.213 481 L C 0.228 177.112 176.870 0.024 0.000 1.045 481 L CA 0.614 55.380 54.840 -0.123 0.000 0.863 481 L CB -0.032 41.783 42.059 -0.408 0.000 1.189 481 L HN 0.177 nan 8.230 nan 0.000 0.484 482 L N 2.786 124.070 121.223 0.101 0.000 2.391 482 L HA 0.266 4.606 4.340 0.000 0.000 0.249 482 L C -0.126 176.819 176.870 0.124 0.000 1.308 482 L CA 0.309 55.260 54.840 0.185 0.000 1.209 482 L CB -1.630 40.591 42.059 0.271 0.000 1.401 482 L HN 0.428 nan 8.230 nan 0.000 0.416 483 N N -0.435 118.306 118.700 0.070 0.000 3.127 483 N HA 0.278 5.018 4.740 0.000 0.000 0.239 483 N C -2.862 172.595 175.510 -0.088 0.000 1.407 483 N CA -1.152 51.905 53.050 0.012 0.000 0.891 483 N CB 1.722 40.279 38.487 0.116 0.000 1.447 483 N HN -0.229 nan 8.380 nan 0.000 0.507 484 P HA -0.127 nan 4.420 nan 0.000 0.217 484 P C 1.034 178.211 177.300 -0.206 0.000 1.150 484 P CA 1.468 64.390 63.100 -0.296 0.000 0.832 484 P CB -0.131 31.302 31.700 -0.446 0.000 0.787 485 Y N 1.160 121.457 120.300 -0.005 0.000 2.274 485 Y HA -0.173 4.377 4.550 0.000 0.000 0.290 485 Y C 2.834 178.709 175.900 -0.042 0.000 1.145 485 Y CA 1.901 59.992 58.100 -0.015 0.000 1.203 485 Y CB -2.183 36.270 38.460 -0.012 0.000 0.984 485 Y HN 0.079 nan 8.280 nan 0.000 0.533 486 T N -1.725 112.884 114.554 0.092 0.000 2.684 486 T HA -0.256 4.094 4.350 0.000 0.000 0.267 486 T C 2.215 176.874 174.700 -0.069 0.000 1.036 486 T CA 1.279 63.381 62.100 0.003 0.000 1.148 486 T CB -0.912 67.943 68.868 -0.022 0.000 0.863 486 T HN 0.347 nan 8.240 nan 0.000 0.436 487 A N 1.901 124.678 122.820 -0.072 0.000 1.930 487 A HA 0.382 4.702 4.320 0.000 0.000 0.217 487 A C 2.805 180.341 177.584 -0.080 0.000 1.175 487 A CA 1.711 53.686 52.037 -0.103 0.000 0.627 487 A CB -1.320 17.680 19.000 0.001 0.000 0.815 487 A HN 0.728 nan 8.150 nan 0.000 0.443 488 A N -0.140 122.664 122.820 -0.025 0.000 1.933 488 A HA -0.190 4.130 4.320 0.000 0.000 0.218 488 A C 1.899 179.475 177.584 -0.015 0.000 1.175 488 A CA 1.683 53.723 52.037 0.005 0.000 0.628 488 A CB -0.508 18.516 19.000 0.040 0.000 0.814 488 A HN 0.640 nan 8.150 nan 0.000 0.444 489 E N -0.668 119.513 120.200 -0.032 0.000 2.085 489 E HA -0.186 4.165 4.350 0.000 0.000 0.194 489 E C 2.315 178.867 176.600 -0.081 0.000 0.994 489 E CA 0.976 57.354 56.400 -0.037 0.000 0.801 489 E CB -0.160 29.513 29.700 -0.045 0.000 0.743 489 E HN 0.476 nan 8.360 nan 0.000 0.453 490 R N -0.807 119.585 120.500 -0.179 0.000 2.152 490 R HA -0.089 4.251 4.340 0.000 0.000 0.232 490 R C 1.396 177.622 176.300 -0.125 0.000 1.117 490 R CA 0.929 56.860 56.100 -0.281 0.000 0.981 490 R CB 0.012 29.828 30.300 -0.806 0.000 0.870 490 R HN 0.367 nan 8.270 nan 0.000 0.451 491 G N -0.640 108.132 108.800 -0.047 0.000 2.141 491 G HA2 -0.297 3.663 3.960 0.000 0.000 0.242 491 G HA3 -0.297 3.663 3.960 0.000 0.000 0.242 491 G C 0.597 175.591 174.900 0.157 0.000 0.982 491 G CA 0.250 45.376 45.100 0.043 0.000 0.662 491 G HN 0.460 nan 8.290 nan 0.000 0.527 492 Y N -0.724 119.574 120.300 -0.003 0.000 2.224 492 Y HA 0.099 4.649 4.550 0.000 0.000 0.289 492 Y C 1.555 177.479 175.900 0.039 0.000 1.146 492 Y CA 1.160 59.274 58.100 0.024 0.000 1.182 492 Y CB 0.287 38.865 38.460 0.197 0.000 0.983 492 Y HN 0.205 nan 8.280 nan 0.000 0.524 493 V N 0.424 120.453 119.914 0.192 0.000 2.540 493 V HA 0.031 4.151 4.120 0.000 0.000 0.302 493 V C -0.452 175.658 176.094 0.028 0.000 1.035 493 V CA -0.645 61.705 62.300 0.083 0.000 0.873 493 V CB 1.815 33.675 31.823 0.062 0.000 0.992 493 V HN 0.150 nan 8.190 nan 0.000 0.428 494 D N 3.028 123.423 120.400 -0.008 0.000 2.144 494 D HA 0.161 4.801 4.640 0.000 0.000 0.199 494 D C 0.595 176.890 176.300 -0.008 0.000 0.984 494 D CA 1.734 55.727 54.000 -0.012 0.000 0.834 494 D CB 0.179 40.958 40.800 -0.035 0.000 0.955 494 D HN 0.724 nan 8.370 nan 0.000 0.465 495 A N -0.630 122.169 122.820 -0.035 0.000 2.606 495 A HA 0.565 4.885 4.320 0.000 0.000 0.293 495 A C -1.557 176.018 177.584 -0.016 0.000 1.082 495 A CA -0.809 51.221 52.037 -0.011 0.000 0.685 495 A CB 1.415 20.413 19.000 -0.003 0.000 1.284 495 A HN -0.082 nan 8.150 nan 0.000 0.408 496 V N 1.517 121.445 119.914 0.022 0.000 2.328 496 V HA 0.598 4.718 4.120 0.000 0.000 0.278 496 V C -0.261 175.897 176.094 0.107 0.000 1.021 496 V CA -0.169 62.146 62.300 0.026 0.000 0.838 496 V CB 0.290 32.061 31.823 -0.087 0.000 0.999 496 V HN 0.866 nan 8.190 nan 0.000 0.447 497 I N 1.868 122.541 120.570 0.171 0.000 2.466 497 I HA 0.712 4.882 4.170 0.000 0.000 0.289 497 I C -0.256 175.968 176.117 0.179 0.000 1.026 497 I CA -0.958 60.474 61.300 0.219 0.000 1.078 497 I CB 1.807 40.011 38.000 0.340 0.000 1.249 497 I HN 0.593 nan 8.210 nan 0.000 0.429 498 M N 7.663 127.302 119.600 0.065 0.000 2.249 498 M HA 0.283 4.763 4.480 0.000 0.000 0.340 498 M C -1.803 174.346 176.300 -0.250 0.000 1.166 498 M CA -0.674 54.566 55.300 -0.101 0.000 1.115 498 M CB 0.948 33.505 32.600 -0.071 0.000 1.606 498 M HN 0.469 nan 8.290 nan 0.000 0.448 499 P HA -0.139 nan 4.420 nan 0.000 0.218 499 P C 1.279 178.347 177.300 -0.386 0.000 1.149 499 P CA 1.576 63.992 63.100 -1.140 0.000 0.817 499 P CB -0.092 30.625 31.700 -1.638 0.000 0.785 500 S N -0.559 114.993 115.700 -0.247 0.000 2.399 500 S HA -0.202 4.268 4.470 0.000 0.000 0.231 500 S C 1.829 176.426 174.600 -0.006 0.000 1.022 500 S CA 1.696 59.843 58.200 -0.088 0.000 0.983 500 S CB -1.200 61.956 63.200 -0.074 0.000 0.803 500 S HN 0.026 nan 8.310 nan 0.000 0.480 501 D N 0.530 120.933 120.400 0.004 0.000 2.340 501 D HA 0.122 4.762 4.640 0.000 0.000 0.220 501 D C 1.465 177.859 176.300 0.157 0.000 1.039 501 D CA 0.545 54.577 54.000 0.054 0.000 0.866 501 D CB -0.370 40.452 40.800 0.037 0.000 0.913 501 D HN 0.435 nan 8.370 nan 0.000 0.523 502 T N -0.482 114.205 114.554 0.222 0.000 2.746 502 T HA -0.168 4.182 4.350 0.000 0.000 0.267 502 T C 1.916 176.801 174.700 0.308 0.000 1.039 502 T CA 1.046 63.373 62.100 0.379 0.000 1.142 502 T CB -0.008 69.204 68.868 0.572 0.000 0.866 502 T HN 0.208 nan 8.240 nan 0.000 0.444 503 R N 0.831 121.475 120.500 0.240 0.000 2.092 503 R HA 0.021 4.361 4.340 0.000 0.000 0.231 503 R C 2.642 179.027 176.300 0.142 0.000 1.119 503 R CA 0.930 57.148 56.100 0.197 0.000 0.970 503 R CB -0.122 30.279 30.300 0.169 0.000 0.864 503 R HN 0.211 nan 8.270 nan 0.000 0.440 504 R N -0.434 120.125 120.500 0.098 0.000 2.081 504 R HA -0.185 4.155 4.340 0.000 0.000 0.235 504 R C 1.792 178.109 176.300 0.028 0.000 1.131 504 R CA 1.675 57.793 56.100 0.031 0.000 0.960 504 R CB -0.406 29.872 30.300 -0.036 0.000 0.856 504 R HN 0.419 nan 8.270 nan 0.000 0.436 505 H N 0.645 119.770 119.070 0.092 0.000 2.357 505 H HA -0.047 4.509 4.556 0.000 0.000 0.301 505 H C 2.209 177.576 175.328 0.065 0.000 1.082 505 H CA 1.674 57.768 56.048 0.078 0.000 1.342 505 H CB -0.046 29.770 29.762 0.090 0.000 1.389 505 H HN 0.242 nan 8.280 nan 0.000 0.511 506 I N -0.317 120.378 120.570 0.210 0.000 2.226 506 I HA -0.219 3.951 4.170 0.000 0.000 0.245 506 I C 2.676 178.862 176.117 0.115 0.000 1.100 506 I CA 0.828 62.211 61.300 0.137 0.000 1.374 506 I CB -0.457 37.628 38.000 0.141 0.000 1.057 506 I HN 0.067 nan 8.210 nan 0.000 0.413 507 V N 1.141 121.122 119.914 0.111 0.000 2.343 507 V HA -0.273 3.847 4.120 0.000 0.000 0.247 507 V C 2.684 178.823 176.094 0.074 0.000 1.051 507 V CA 1.892 64.245 62.300 0.089 0.000 1.036 507 V CB -0.406 31.464 31.823 0.079 0.000 0.654 507 V HN 0.341 nan 8.190 nan 0.000 0.451 508 R N -0.386 120.156 120.500 0.071 0.000 2.073 508 R HA -0.093 4.247 4.340 0.000 0.000 0.234 508 R C 2.336 178.679 176.300 0.072 0.000 1.134 508 R CA 1.592 57.728 56.100 0.061 0.000 0.952 508 R CB -0.944 29.384 30.300 0.047 0.000 0.850 508 R HN 0.624 nan 8.270 nan 0.000 0.433 509 G N 0.616 109.472 108.800 0.093 0.000 2.432 509 G HA2 -0.214 3.746 3.960 0.000 0.000 0.219 509 G HA3 -0.214 3.746 3.960 0.000 0.000 0.219 509 G C 1.424 176.361 174.900 0.062 0.000 1.135 509 G CA 0.239 45.389 45.100 0.082 0.000 0.767 509 G HN 0.154 nan 8.290 nan 0.000 0.550 510 L N -0.178 121.085 121.223 0.066 0.000 2.083 510 L HA -0.083 4.257 4.340 0.000 0.000 0.209 510 L C 3.241 180.143 176.870 0.055 0.000 1.083 510 L CA 1.020 55.897 54.840 0.061 0.000 0.752 510 L CB -0.286 41.816 42.059 0.071 0.000 0.899 510 L HN 0.242 nan 8.230 nan 0.000 0.433 511 R N -0.621 119.911 120.500 0.054 0.000 2.073 511 R HA -0.179 4.161 4.340 0.000 0.000 0.234 511 R C 2.243 178.568 176.300 0.041 0.000 1.134 511 R CA 1.209 57.337 56.100 0.047 0.000 0.952 511 R CB -0.358 29.968 30.300 0.044 0.000 0.850 511 R HN 0.477 nan 8.270 nan 0.000 0.433 512 Q N 0.592 120.417 119.800 0.041 0.000 2.079 512 Q HA -0.065 4.275 4.340 0.000 0.000 0.200 512 Q C 2.195 178.215 176.000 0.033 0.000 0.974 512 Q CA 1.136 56.960 55.803 0.036 0.000 0.840 512 Q CB 0.017 28.777 28.738 0.037 0.000 0.898 512 Q HN 0.397 nan 8.270 nan 0.000 0.430 513 L N 0.203 121.447 121.223 0.036 0.000 2.554 513 L HA -0.009 4.331 4.340 0.000 0.000 0.226 513 L C 2.278 179.170 176.870 0.036 0.000 1.137 513 L CA 0.117 54.977 54.840 0.033 0.000 0.863 513 L CB -0.160 41.919 42.059 0.034 0.000 0.985 513 L HN 0.129 nan 8.230 nan 0.000 0.451 514 R N 0.290 120.814 120.500 0.039 0.000 2.115 514 R HA -0.202 4.138 4.340 0.000 0.000 0.239 514 R C 2.465 178.787 176.300 0.037 0.000 1.133 514 R CA 2.271 58.396 56.100 0.042 0.000 0.935 514 R CB -1.097 29.228 30.300 0.042 0.000 0.853 514 R HN 0.477 nan 8.270 nan 0.000 0.433 515 T N 0.266 114.839 114.554 0.032 0.000 2.788 515 T HA -0.151 4.199 4.350 0.000 0.000 0.268 515 T C 1.081 175.796 174.700 0.024 0.000 1.044 515 T CA 0.598 62.714 62.100 0.027 0.000 1.139 515 T CB -0.305 68.577 68.868 0.023 0.000 0.867 515 T HN 0.202 nan 8.240 nan 0.000 0.454 516 K N 2.771 123.185 120.400 0.024 0.000 2.611 516 K HA -0.138 4.182 4.320 0.000 0.000 0.280 516 K C -0.566 176.044 176.600 0.016 0.000 0.964 516 K CA 0.362 56.661 56.287 0.019 0.000 1.029 516 K CB 0.311 32.822 32.500 0.018 0.000 0.862 516 K HN 0.525 nan 8.250 nan 0.000 0.501 517 R N 1.841 122.347 120.500 0.011 0.000 2.686 517 R HA 0.499 4.839 4.340 0.000 0.000 0.283 517 R C -1.096 175.206 176.300 0.003 0.000 0.978 517 R CA -0.860 55.245 56.100 0.008 0.000 0.897 517 R CB 1.519 31.824 30.300 0.008 0.000 1.192 517 R HN 0.674 nan 8.270 nan 0.000 0.457 518 E N 0.451 120.651 120.200 0.000 0.000 2.383 518 E HA 0.582 4.932 4.350 0.000 0.000 0.275 518 E C -1.415 175.181 176.600 -0.008 0.000 0.918 518 E CA -0.825 55.572 56.400 -0.005 0.000 0.764 518 E CB 2.542 32.238 29.700 -0.007 0.000 1.252 518 E HN 0.571 nan 8.360 nan 0.000 0.449 519 S N 1.647 117.341 115.700 -0.010 0.000 2.595 519 S HA 0.824 5.294 4.470 0.000 0.000 0.281 519 S C -1.815 172.775 174.600 -0.016 0.000 1.117 519 S CA -0.625 57.568 58.200 -0.012 0.000 0.873 519 S CB 1.087 64.282 63.200 -0.008 0.000 1.108 519 S HN 0.456 nan 8.310 nan 0.000 0.477 520 L N 1.064 122.277 121.223 -0.017 0.000 2.671 520 L HA 0.853 5.193 4.340 0.000 0.000 0.259 520 L C -2.964 173.896 176.870 -0.016 0.000 1.021 520 L CA -1.466 53.363 54.840 -0.019 0.000 0.871 520 L CB 0.264 42.307 42.059 -0.027 0.000 1.472 520 L HN 0.465 nan 8.230 nan 0.000 0.410 521 P HA 0.364 nan 4.420 nan 0.000 0.268 521 P C -2.572 174.718 177.300 -0.015 0.000 1.205 521 P CA -0.499 62.593 63.100 -0.014 0.000 0.771 521 P CB -0.214 31.478 31.700 -0.013 0.000 0.858 522 P HA 0.185 nan 4.420 nan 0.000 0.275 522 P C -0.817 176.469 177.300 -0.024 0.000 1.228 522 P CA -0.153 62.937 63.100 -0.016 0.000 0.786 522 P CB 0.959 32.650 31.700 -0.015 0.000 0.927 523 K N 0.471 120.855 120.400 -0.028 0.000 2.536 523 K HA 0.368 4.688 4.320 0.000 0.000 0.269 523 K C 0.336 176.899 176.600 -0.063 0.000 0.965 523 K CA -1.019 55.235 56.287 -0.055 0.000 0.860 523 K CB 1.813 34.277 32.500 -0.060 0.000 1.423 523 K HN 0.007 nan 8.250 nan 0.000 0.438 524 K N -0.034 120.293 120.400 -0.122 0.000 2.026 524 K HA -0.138 4.182 4.320 0.000 0.000 0.208 524 K C 0.116 176.722 176.600 0.009 0.000 1.048 524 K CA 2.062 58.303 56.287 -0.077 0.000 0.929 524 K CB -0.250 32.186 32.500 -0.107 0.000 0.713 524 K HN 0.825 nan 8.250 nan 0.000 0.439 525 H N -3.980 115.106 119.070 0.027 0.000 3.003 525 H HA 0.442 4.998 4.556 0.000 0.000 0.327 525 H C -0.375 174.987 175.328 0.056 0.000 1.353 525 H CA -0.753 55.317 56.048 0.036 0.000 1.142 525 H CB 0.573 30.350 29.762 0.024 0.000 1.864 525 H HN 0.046 nan 8.280 nan 0.000 0.529 526 G N -0.402 108.576 108.800 0.296 0.000 2.562 526 G HA2 0.235 4.195 3.960 0.000 0.000 0.275 526 G HA3 0.235 4.195 3.960 0.000 0.000 0.275 526 G C -0.221 174.828 174.900 0.248 0.000 1.196 526 G CA -0.783 44.487 45.100 0.285 0.000 0.908 526 G HN 0.705 nan 8.290 nan 0.000 0.524 527 N N 0.115 118.899 118.700 0.140 0.000 2.328 527 N HA 0.073 4.813 4.740 0.000 0.000 0.247 527 N C 0.439 175.838 175.510 -0.186 0.000 1.165 527 N CA -0.516 52.552 53.050 0.030 0.000 0.873 527 N CB 0.363 38.891 38.487 0.068 0.000 1.125 527 N HN 0.360 nan 8.380 nan 0.000 0.513 528 I N 2.388 122.625 120.570 -0.554 0.000 2.775 528 I HA 0.072 4.242 4.170 0.000 0.000 0.290 528 I C -2.140 173.697 176.117 -0.465 0.000 1.203 528 I CA -1.264 59.390 61.300 -1.076 0.000 1.433 528 I CB 0.374 37.353 38.000 -1.702 0.000 1.354 528 I HN -0.045 nan 8.210 nan 0.000 0.579 529 P HA 0.345 nan 4.420 nan 0.000 0.276 529 P C -0.564 176.647 177.300 -0.147 0.000 1.230 529 P CA -0.186 62.813 63.100 -0.169 0.000 0.776 529 P CB 0.788 32.424 31.700 -0.108 0.000 0.888 530 L N 0.000 121.159 121.223 -0.107 0.000 2.949 530 L HA 0.000 4.340 4.340 0.000 0.000 0.249 530 L CA 0.000 54.790 54.840 -0.084 0.000 0.813 530 L CB 0.000 42.011 42.059 -0.080 0.000 0.961 530 L HN 0.000 nan 8.230 nan 0.000 0.502