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 3mph_1_A DATA FIRST_RESID 28 DATA SEQUENCE RKAGVFSDLS NQELKAVHSF LWSKKELRLQ PSSTTTMAKN TVFLIEMLLP DATA SEQUENCE KKYHVLRFLD KGERHPVREA RAVIFFGDQE HPNVTEFAVG PLPGPCYMRA DATA SEQUENCE LSPRPGYQSS WASRPISTAE YALLYHTLQE ATKPLHQFFL NTTGFSFQDc DATA SEQUENCE HDRcLAFTDV APRGVASGQR RSWLIIQRYV EGYFLHPTGL ELLVDHGSTD DATA SEQUENCE AGHWAVEQVW YNGKFYGSPE ELARKYADGE VDVVVLEDPL XXXXXXXXXX DATA SEQUENCE EPPLFSSHKP RGDFPSPIHV SGPRLVQPHG PRFRLEGNAV LYGGWSFAFR DATA SEQUENCE LRSSSGLQVL NVHFGGERIA YEVSVQEAVA LYGGHTPAGM QTKYLDVGWG DATA SEQUENCE LGSVTHELAP GIDcPETATF LDTFHYYDAD DPVHYPRALc LFEMPTGVPL DATA SEQUENCE RRHFNSNFKG GFNFYAGLKG QVLVLRTTST VYNXDYIWDF IFYPNGVMEA DATA SEQUENCE KMHATGYVHA TFYTPEGLRH GTRLHTHLIG NIHTHLVHYR VDLDVAGTKN DATA SEQUENCE SFQTLQMKLE NITNPWSPRH RVVQPTLEQT QYSWERQAAF RFKRKLPKYL DATA SEQUENCE LFTSPQENPW GHKRSYRLQI HSMADQVLPP GWQEEQAITW ARYPLAVTKY DATA SEQUENCE RESELCSSSI YHQNDPWDPP VVFEQFLHNN ENIENEDLVA WVTVGFLHIP DATA SEQUENCE HSEDIPNTAT PGNSVGFLLR PFNFFPEDPS LASRDTVIVW PRDNGPNYVQ DATA SEQUENCE RWIPEDRDCS MPPPFSYNGT YRPV 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 28 R HA 0.000 nan 4.340 nan 0.000 0.208 28 R C 0.000 176.389 176.300 0.148 0.000 0.893 28 R CA 0.000 56.149 56.100 0.081 0.000 0.921 28 R CB 0.000 30.327 30.300 0.045 0.000 0.687 29 K N 0.387 120.858 120.400 0.117 0.000 2.057 29 K HA 0.311 4.634 4.320 0.004 0.000 0.206 29 K C 2.368 179.060 176.600 0.155 0.000 1.050 29 K CA 2.506 58.884 56.287 0.152 0.000 0.935 29 K CB -0.519 31.920 32.500 -0.100 0.000 0.715 29 K HN 2.031 nan 8.250 nan 0.000 0.439 30 A N 1.097 123.988 122.820 0.117 0.000 2.131 30 A HA 0.154 4.477 4.320 0.004 0.000 0.220 30 A C 2.658 180.314 177.584 0.121 0.000 1.158 30 A CA 1.492 53.636 52.037 0.178 0.000 0.665 30 A CB -1.141 17.924 19.000 0.107 0.000 0.795 30 A HN 0.665 nan 8.150 nan 0.000 0.460 31 G N -0.699 108.158 108.800 0.095 0.000 2.462 31 G HA2 -0.163 3.799 3.960 0.004 0.000 0.220 31 G HA3 -0.163 3.799 3.960 0.004 0.000 0.220 31 G C 1.502 176.431 174.900 0.048 0.000 1.121 31 G CA 1.033 46.179 45.100 0.078 0.000 0.758 31 G HN 0.481 nan 8.290 nan 0.000 0.559 32 V N -0.085 119.800 119.914 -0.049 0.000 2.568 32 V HA -0.062 4.060 4.120 0.004 0.000 0.253 32 V C 2.058 177.975 176.094 -0.295 0.000 1.072 32 V CA 1.503 63.656 62.300 -0.246 0.000 1.084 32 V CB -0.405 31.080 31.823 -0.563 0.000 0.676 32 V HN 0.348 nan 8.190 nan 0.000 0.469 33 F N 0.775 120.750 119.950 0.042 0.000 2.765 33 F HA 0.295 4.824 4.527 0.004 0.000 0.302 33 F C 1.452 177.240 175.800 -0.020 0.000 1.111 33 F CA 0.207 58.209 58.000 0.003 0.000 1.359 33 F CB -0.675 38.301 39.000 -0.039 0.000 1.097 33 F HN 0.201 nan 8.300 nan 0.000 0.577 34 S N -0.217 115.544 115.700 0.102 0.000 2.565 34 S HA 0.160 4.632 4.470 0.004 0.000 0.276 34 S C -0.021 174.610 174.600 0.052 0.000 1.326 34 S CA -1.062 57.161 58.200 0.038 0.000 1.045 34 S CB 0.871 64.075 63.200 0.006 0.000 0.918 34 S HN 0.033 nan 8.310 nan 0.000 0.505 35 D N 1.492 121.922 120.400 0.049 0.000 2.362 35 D HA 0.136 4.778 4.640 0.004 0.000 0.238 35 D C 0.453 176.786 176.300 0.056 0.000 1.212 35 D CA 0.043 54.086 54.000 0.071 0.000 0.902 35 D CB 0.362 41.213 40.800 0.085 0.000 1.180 35 D HN 0.543 nan 8.370 nan 0.000 0.445 36 L N 1.229 122.490 121.223 0.065 0.000 2.453 36 L HA 0.018 4.360 4.340 0.004 0.000 0.272 36 L C 1.299 178.184 176.870 0.024 0.000 1.182 36 L CA -0.175 54.687 54.840 0.037 0.000 0.858 36 L CB 0.379 42.465 42.059 0.046 0.000 1.120 36 L HN 0.388 nan 8.230 nan 0.000 0.474 37 S N 1.499 117.183 115.700 -0.026 0.000 2.608 37 S HA 0.021 4.493 4.470 0.004 0.000 0.261 37 S C 0.924 175.393 174.600 -0.220 0.000 1.314 37 S CA -0.492 57.654 58.200 -0.090 0.000 0.992 37 S CB 1.013 64.157 63.200 -0.092 0.000 0.935 37 S HN 0.689 nan 8.310 nan 0.000 0.564 38 N N 1.307 119.686 118.700 -0.536 0.000 2.094 38 N HA -0.181 4.561 4.740 0.004 0.000 0.191 38 N C 2.413 177.722 175.510 -0.335 0.000 1.023 38 N CA 2.405 54.996 53.050 -0.766 0.000 0.857 38 N CB -1.158 36.468 38.487 -1.434 0.000 1.013 38 N HN 0.859 nan 8.380 nan 0.000 0.426 39 Q N 0.577 120.231 119.800 -0.243 0.000 2.084 39 Q HA -0.087 4.255 4.340 0.004 0.000 0.202 39 Q C 2.100 178.040 176.000 -0.099 0.000 0.978 39 Q CA 1.820 57.539 55.803 -0.139 0.000 0.844 39 Q CB -0.919 27.753 28.738 -0.109 0.000 0.898 39 Q HN 0.718 nan 8.270 nan 0.000 0.426 40 E N 0.119 120.261 120.200 -0.097 0.000 2.072 40 E HA -0.048 4.304 4.350 0.004 0.000 0.191 40 E C 2.189 178.758 176.600 -0.051 0.000 0.985 40 E CA 1.007 57.365 56.400 -0.069 0.000 0.801 40 E CB -0.130 29.535 29.700 -0.059 0.000 0.750 40 E HN 0.595 nan 8.360 nan 0.000 0.452 41 L N 1.027 122.221 121.223 -0.050 0.000 2.012 41 L HA -0.233 4.109 4.340 0.004 0.000 0.210 41 L C 2.392 179.248 176.870 -0.023 0.000 1.073 41 L CA 1.387 56.211 54.840 -0.026 0.000 0.748 41 L CB -0.310 41.766 42.059 0.028 0.000 0.891 41 L HN 0.045 nan 8.230 nan 0.000 0.431 42 K N -0.133 120.252 120.400 -0.025 0.000 2.057 42 K HA -0.165 4.157 4.320 0.004 0.000 0.207 42 K C 2.228 178.849 176.600 0.036 0.000 1.049 42 K CA 1.394 57.684 56.287 0.006 0.000 0.931 42 K CB -0.305 32.180 32.500 -0.026 0.000 0.714 42 K HN 0.301 nan 8.250 nan 0.000 0.440 43 A N 0.963 123.784 122.820 0.002 0.000 1.902 43 A HA -0.127 4.195 4.320 0.004 0.000 0.217 43 A C 2.373 179.986 177.584 0.048 0.000 1.181 43 A CA 1.460 53.503 52.037 0.010 0.000 0.623 43 A CB -0.610 18.369 19.000 -0.035 0.000 0.818 43 A HN 0.076 nan 8.150 nan 0.000 0.443 44 V N -0.509 119.423 119.914 0.030 0.000 2.307 44 V HA -0.243 3.879 4.120 0.004 0.000 0.245 44 V C 2.490 178.663 176.094 0.132 0.000 1.045 44 V CA 2.023 64.362 62.300 0.065 0.000 1.024 44 V CB -0.976 30.854 31.823 0.012 0.000 0.651 44 V HN 0.779 nan 8.190 nan 0.000 0.449 45 H N -0.088 118.964 119.070 -0.031 0.000 2.352 45 H HA -0.178 4.380 4.556 0.004 0.000 0.299 45 H C 2.635 178.022 175.328 0.098 0.000 1.097 45 H CA 1.999 58.037 56.048 -0.016 0.000 1.311 45 H CB 0.057 29.749 29.762 -0.117 0.000 1.377 45 H HN 0.471 nan 8.280 nan 0.000 0.504 46 S N -0.002 115.763 115.700 0.109 0.000 2.353 46 S HA -0.216 4.256 4.470 0.004 0.000 0.222 46 S C 2.150 176.827 174.600 0.129 0.000 1.035 46 S CA 1.525 59.776 58.200 0.086 0.000 1.025 46 S CB -0.867 62.383 63.200 0.084 0.000 0.902 46 S HN 0.487 nan 8.310 nan 0.000 0.440 47 F N 2.004 121.954 119.950 0.001 0.000 2.126 47 F HA -0.013 4.516 4.527 0.004 0.000 0.299 47 F C 1.825 177.618 175.800 -0.013 0.000 1.096 47 F CA 1.649 59.642 58.000 -0.012 0.000 1.255 47 F CB -0.441 38.533 39.000 -0.043 0.000 0.997 47 F HN 0.231 nan 8.300 nan 0.000 0.479 48 L N -1.669 119.491 121.223 -0.104 0.000 2.056 48 L HA -0.198 4.144 4.340 0.004 0.000 0.207 48 L C 2.243 178.995 176.870 -0.196 0.000 1.078 48 L CA 1.255 55.954 54.840 -0.235 0.000 0.749 48 L CB -0.999 41.013 42.059 -0.078 0.000 0.901 48 L HN 0.213 nan 8.230 nan 0.000 0.433 49 W N 0.589 121.714 121.300 -0.292 0.000 2.392 49 W HA -0.185 4.478 4.660 0.004 0.000 0.279 49 W C 3.037 179.449 176.519 -0.178 0.000 1.225 49 W CA 1.683 58.888 57.345 -0.233 0.000 1.233 49 W CB -0.336 28.980 29.460 -0.240 0.000 1.122 49 W HN 0.251 nan 8.180 nan 0.000 0.561 50 S N -0.235 115.467 115.700 0.004 0.000 2.447 50 S HA -0.064 4.408 4.470 0.004 0.000 0.233 50 S C 0.902 175.418 174.600 -0.140 0.000 1.006 50 S CA 0.634 58.805 58.200 -0.048 0.000 0.957 50 S CB -0.311 62.857 63.200 -0.053 0.000 0.773 50 S HN -0.053 nan 8.310 nan 0.000 0.507 51 K N 1.878 122.133 120.400 -0.242 0.000 2.171 51 K HA 0.270 4.592 4.320 0.004 0.000 0.274 51 K C 0.089 176.580 176.600 -0.182 0.000 1.110 51 K CA -0.217 55.929 56.287 -0.235 0.000 0.952 51 K CB 1.036 33.347 32.500 -0.316 0.000 1.309 51 K HN 0.061 nan 8.250 nan 0.000 0.414 52 K N 1.658 121.979 120.400 -0.131 0.000 2.280 52 K HA -0.156 4.166 4.320 0.004 0.000 0.202 52 K C 1.734 178.267 176.600 -0.111 0.000 1.047 52 K CA 1.017 57.231 56.287 -0.122 0.000 0.942 52 K CB 0.127 32.581 32.500 -0.076 0.000 0.739 52 K HN 0.534 nan 8.250 nan 0.000 0.457 53 E N 0.840 120.986 120.200 -0.090 0.000 2.265 53 E HA -0.180 4.172 4.350 0.004 0.000 0.196 53 E C 1.450 178.027 176.600 -0.038 0.000 0.996 53 E CA 0.976 57.340 56.400 -0.061 0.000 0.832 53 E CB -0.396 29.274 29.700 -0.050 0.000 0.756 53 E HN 0.340 nan 8.360 nan 0.000 0.491 54 L N 0.143 121.330 121.223 -0.061 0.000 2.395 54 L HA 0.110 4.452 4.340 0.004 0.000 0.218 54 L C 0.806 177.643 176.870 -0.054 0.000 1.130 54 L CA 0.366 55.210 54.840 0.005 0.000 0.826 54 L CB -0.453 41.558 42.059 -0.080 0.000 0.941 54 L HN -0.012 nan 8.230 nan 0.000 0.451 55 R N 0.227 120.639 120.500 -0.148 0.000 3.416 55 R HA -0.169 4.174 4.340 0.004 0.000 0.263 55 R C -0.434 175.705 176.300 -0.268 0.000 1.053 55 R CA 0.162 56.156 56.100 -0.176 0.000 0.705 55 R CB -2.349 27.908 30.300 -0.072 0.000 1.124 55 R HN 0.289 nan 8.270 nan 0.000 0.444 56 L N 1.199 122.120 121.223 -0.503 0.000 2.410 56 L HA 0.088 4.430 4.340 0.004 0.000 0.273 56 L C 0.960 177.445 176.870 -0.643 0.000 1.152 56 L CA 0.581 55.060 54.840 -0.602 0.000 0.855 56 L CB 0.673 42.181 42.059 -0.919 0.000 1.129 56 L HN 0.229 nan 8.230 nan 0.000 0.463 57 Q N 3.864 123.560 119.800 -0.173 0.000 2.359 57 Q HA 0.479 4.822 4.340 0.004 0.000 0.275 57 Q C -2.425 173.769 176.000 0.324 0.000 1.082 57 Q CA -2.048 53.804 55.803 0.081 0.000 0.849 57 Q CB 1.960 30.747 28.738 0.081 0.000 1.377 57 Q HN 0.337 nan 8.270 nan 0.000 0.452 58 P HA 0.048 nan 4.420 nan 0.000 0.271 58 P C -0.087 177.361 177.300 0.246 0.000 1.218 58 P CA 0.249 63.568 63.100 0.365 0.000 0.780 58 P CB 0.744 32.609 31.700 0.275 0.000 0.901 59 S N 0.977 116.805 115.700 0.214 0.000 2.419 59 S HA -0.144 4.328 4.470 0.004 0.000 0.235 59 S C 1.766 176.456 174.600 0.151 0.000 1.019 59 S CA 1.863 60.159 58.200 0.160 0.000 0.982 59 S CB -0.754 62.494 63.200 0.079 0.000 0.789 59 S HN 0.673 nan 8.310 nan 0.000 0.490 60 S N 0.621 116.400 115.700 0.132 0.000 2.481 60 S HA 0.005 4.477 4.470 0.004 0.000 0.231 60 S C 0.775 175.447 174.600 0.121 0.000 0.996 60 S CA 0.159 58.431 58.200 0.120 0.000 0.942 60 S CB -0.719 62.536 63.200 0.091 0.000 0.768 60 S HN 0.318 nan 8.310 nan 0.000 0.520 61 T N 4.083 118.715 114.554 0.130 0.000 2.866 61 T HA 0.152 4.504 4.350 0.004 0.000 0.293 61 T C 0.680 175.444 174.700 0.108 0.000 1.005 61 T CA 0.756 62.923 62.100 0.112 0.000 1.162 61 T CB 0.523 69.463 68.868 0.119 0.000 0.968 61 T HN 0.551 nan 8.240 nan 0.000 0.530 62 T N 0.654 115.253 114.554 0.076 0.000 3.607 62 T HA 0.355 4.707 4.350 0.004 0.000 0.225 62 T C 0.316 175.034 174.700 0.030 0.000 0.904 62 T CA -0.759 61.380 62.100 0.066 0.000 0.962 62 T CB -0.309 68.584 68.868 0.043 0.000 1.221 62 T HN 0.558 nan 8.240 nan 0.000 0.641 63 T N 1.012 115.604 114.554 0.063 0.000 2.900 63 T HA 0.465 4.817 4.350 0.004 0.000 0.295 63 T C 1.028 175.814 174.700 0.144 0.000 1.044 63 T CA -0.951 61.179 62.100 0.050 0.000 0.995 63 T CB 1.141 70.022 68.868 0.022 0.000 1.072 63 T HN 0.093 nan 8.240 nan 0.000 0.473 64 M N 2.365 122.073 119.600 0.180 0.000 2.419 64 M HA 0.226 4.708 4.480 0.004 0.000 0.264 64 M C 1.604 178.104 176.300 0.333 0.000 1.082 64 M CA 0.526 56.029 55.300 0.339 0.000 1.119 64 M CB -1.125 31.747 32.600 0.453 0.000 1.398 64 M HN 0.711 nan 8.290 nan 0.000 0.453 65 A N 2.937 125.858 122.820 0.169 0.000 3.074 65 A HA 0.203 4.525 4.320 0.004 0.000 0.251 65 A C 0.393 178.029 177.584 0.087 0.000 1.695 65 A CA -0.206 51.880 52.037 0.082 0.000 1.343 65 A CB -1.037 17.970 19.000 0.011 0.000 1.078 65 A HN 0.507 nan 8.150 nan 0.000 0.644 66 K N -0.630 119.866 120.400 0.160 0.000 2.482 66 K HA 0.556 4.878 4.320 0.004 0.000 0.257 66 K C -1.390 175.319 176.600 0.183 0.000 0.969 66 K CA -1.084 55.288 56.287 0.142 0.000 0.842 66 K CB 1.081 33.671 32.500 0.150 0.000 1.359 66 K HN 0.054 nan 8.250 nan 0.000 0.441 67 N N 1.307 120.075 118.700 0.114 0.000 2.438 67 N HA 0.379 5.121 4.740 0.004 0.000 0.282 67 N C -1.174 174.364 175.510 0.047 0.000 1.037 67 N CA -0.230 52.865 53.050 0.075 0.000 0.942 67 N CB 1.716 40.224 38.487 0.034 0.000 1.136 67 N HN 0.780 nan 8.380 nan 0.000 0.481 68 T N -2.718 111.880 114.554 0.073 0.000 2.932 68 T HA 0.387 4.739 4.350 0.004 0.000 0.318 68 T C -0.747 174.004 174.700 0.086 0.000 1.265 68 T CA -0.846 61.321 62.100 0.112 0.000 1.036 68 T CB 0.625 69.599 68.868 0.177 0.000 1.209 68 T HN 0.009 nan 8.240 nan 0.000 0.484 69 V N 3.839 123.859 119.914 0.176 0.000 2.389 69 V HA 0.298 4.420 4.120 0.004 0.000 0.264 69 V C 0.734 176.981 176.094 0.255 0.000 1.049 69 V CA -0.394 62.033 62.300 0.211 0.000 0.932 69 V CB -0.056 31.923 31.823 0.260 0.000 1.011 69 V HN 0.913 nan 8.190 nan 0.000 0.475 70 F N 5.756 125.629 119.950 -0.128 0.000 2.317 70 F HA 0.386 4.915 4.527 0.004 0.000 0.293 70 F C 0.341 176.071 175.800 -0.117 0.000 1.085 70 F CA 0.607 58.373 58.000 -0.390 0.000 1.390 70 F CB 0.526 38.908 39.000 -1.030 0.000 1.077 70 F HN 0.388 nan 8.300 nan 0.000 0.517 71 L N 0.651 121.946 121.223 0.119 0.000 2.513 71 L HA 0.557 4.899 4.340 0.004 0.000 0.261 71 L C -1.770 175.248 176.870 0.246 0.000 0.945 71 L CA -0.580 54.370 54.840 0.183 0.000 0.848 71 L CB 1.985 44.149 42.059 0.175 0.000 1.334 71 L HN -0.054 nan 8.230 nan 0.000 0.407 72 I N 4.053 124.771 120.570 0.248 0.000 2.499 72 I HA 0.618 4.790 4.170 0.004 0.000 0.288 72 I C -0.967 175.258 176.117 0.179 0.000 1.048 72 I CA -0.291 61.082 61.300 0.122 0.000 1.062 72 I CB 2.016 39.958 38.000 -0.097 0.000 1.238 72 I HN 0.783 nan 8.210 nan 0.000 0.426 73 E N 6.481 126.778 120.200 0.163 0.000 2.412 73 E HA 0.384 4.737 4.350 0.004 0.000 0.279 73 E C -1.217 175.464 176.600 0.135 0.000 0.984 73 E CA -1.052 55.445 56.400 0.161 0.000 0.788 73 E CB 2.050 31.858 29.700 0.180 0.000 1.277 73 E HN 0.382 nan 8.360 nan 0.000 0.455 74 M N 2.442 122.115 119.600 0.121 0.000 2.248 74 M HA 0.140 4.622 4.480 0.004 0.000 0.345 74 M C -1.243 175.133 176.300 0.127 0.000 1.243 74 M CA -0.169 55.195 55.300 0.107 0.000 1.090 74 M CB 0.349 33.006 32.600 0.096 0.000 1.683 74 M HN 0.695 nan 8.290 nan 0.000 0.450 75 L N 7.082 128.381 121.223 0.126 0.000 2.276 75 L HA 0.376 4.718 4.340 0.004 0.000 0.286 75 L C -0.993 175.964 176.870 0.146 0.000 1.024 75 L CA -0.529 54.398 54.840 0.146 0.000 0.826 75 L CB 0.999 43.151 42.059 0.154 0.000 1.211 75 L HN 0.737 nan 8.230 nan 0.000 0.422 76 L N 8.142 129.464 121.223 0.166 0.000 2.525 76 L HA 0.327 4.669 4.340 0.004 0.000 0.278 76 L C -1.886 175.095 176.870 0.185 0.000 1.218 76 L CA -0.429 54.522 54.840 0.186 0.000 0.878 76 L CB -0.193 42.009 42.059 0.238 0.000 1.127 76 L HN 0.552 nan 8.230 nan 0.000 0.492 77 P HA 0.110 nan 4.420 nan 0.000 0.273 77 P C -1.160 176.282 177.300 0.236 0.000 1.250 77 P CA -0.422 62.784 63.100 0.177 0.000 0.793 77 P CB 0.310 32.082 31.700 0.120 0.000 1.011 78 K N 0.838 121.398 120.400 0.266 0.000 2.401 78 K HA -0.017 4.305 4.320 0.004 0.000 0.278 78 K C 1.390 178.122 176.600 0.221 0.000 1.018 78 K CA 0.045 56.486 56.287 0.256 0.000 0.981 78 K CB 0.360 33.011 32.500 0.253 0.000 0.933 78 K HN 0.377 nan 8.250 nan 0.000 0.477 79 K N 2.513 123.017 120.400 0.174 0.000 2.044 79 K HA -0.284 4.038 4.320 0.004 0.000 0.210 79 K C 1.850 178.404 176.600 -0.078 0.000 1.049 79 K CA 1.686 57.940 56.287 -0.055 0.000 0.927 79 K CB -0.216 32.033 32.500 -0.419 0.000 0.713 79 K HN 0.623 nan 8.250 nan 0.000 0.443 80 Y N 0.970 121.169 120.300 -0.169 0.000 2.139 80 Y HA -0.349 4.203 4.550 0.004 0.000 0.282 80 Y C 2.158 177.964 175.900 -0.156 0.000 1.179 80 Y CA 2.239 60.209 58.100 -0.218 0.000 1.161 80 Y CB -0.229 38.041 38.460 -0.316 0.000 0.970 80 Y HN 0.294 nan 8.280 nan 0.000 0.511 81 H N -1.566 117.554 119.070 0.082 0.000 2.403 81 H HA -0.035 4.523 4.556 0.004 0.000 0.298 81 H C 2.517 177.847 175.328 0.004 0.000 1.059 81 H CA 1.524 57.580 56.048 0.013 0.000 1.363 81 H CB -0.546 29.282 29.762 0.111 0.000 1.410 81 H HN 0.331 nan 8.280 nan 0.000 0.528 82 V N 1.440 121.453 119.914 0.164 0.000 2.343 82 V HA -0.213 3.909 4.120 0.004 0.000 0.247 82 V C 2.794 178.995 176.094 0.179 0.000 1.051 82 V CA 1.243 63.653 62.300 0.184 0.000 1.036 82 V CB -0.629 31.359 31.823 0.274 0.000 0.654 82 V HN 0.255 nan 8.190 nan 0.000 0.451 83 L N -0.656 120.604 121.223 0.062 0.000 2.093 83 L HA -0.166 4.176 4.340 0.004 0.000 0.208 83 L C 2.794 179.634 176.870 -0.049 0.000 1.085 83 L CA 1.615 56.456 54.840 0.003 0.000 0.755 83 L CB -0.561 41.432 42.059 -0.109 0.000 0.904 83 L HN 0.241 nan 8.230 nan 0.000 0.435 84 R N -0.839 119.590 120.500 -0.119 0.000 2.096 84 R HA -0.191 4.151 4.340 0.004 0.000 0.235 84 R C 2.222 178.533 176.300 0.018 0.000 1.127 84 R CA 1.529 57.564 56.100 -0.108 0.000 0.968 84 R CB -0.368 29.812 30.300 -0.201 0.000 0.861 84 R HN 0.194 nan 8.270 nan 0.000 0.440 85 F N 1.254 121.152 119.950 -0.087 0.000 2.075 85 F HA -0.145 4.384 4.527 0.004 0.000 0.297 85 F C 1.694 177.450 175.800 -0.074 0.000 1.113 85 F CA 1.506 59.450 58.000 -0.093 0.000 1.218 85 F CB -0.387 38.517 39.000 -0.160 0.000 0.984 85 F HN -0.110 nan 8.300 nan 0.000 0.472 86 L N -0.300 120.751 121.223 -0.287 0.000 2.093 86 L HA -0.140 4.202 4.340 0.004 0.000 0.208 86 L C 1.519 178.265 176.870 -0.208 0.000 1.085 86 L CA 1.460 56.083 54.840 -0.362 0.000 0.755 86 L CB -0.544 41.484 42.059 -0.053 0.000 0.904 86 L HN 0.124 nan 8.230 nan 0.000 0.435 87 D N -1.318 119.019 120.400 -0.105 0.000 2.454 87 D HA 0.032 4.674 4.640 0.004 0.000 0.214 87 D C 1.179 177.443 176.300 -0.060 0.000 1.088 87 D CA 0.484 54.449 54.000 -0.057 0.000 0.855 87 D CB 0.460 41.250 40.800 -0.016 0.000 1.025 87 D HN 0.168 nan 8.370 nan 0.000 0.502 88 K N 0.050 120.410 120.400 -0.067 0.000 2.536 88 K HA 0.312 4.634 4.320 0.004 0.000 0.203 88 K C 0.762 177.343 176.600 -0.032 0.000 1.063 88 K CA -0.010 56.251 56.287 -0.044 0.000 1.063 88 K CB 1.952 34.426 32.500 -0.043 0.000 0.843 88 K HN 0.036 nan 8.250 nan 0.000 0.521 89 G N 2.276 111.045 108.800 -0.052 0.000 2.203 89 G HA2 -0.262 3.700 3.960 0.004 0.000 0.263 89 G HA3 -0.262 3.700 3.960 0.004 0.000 0.263 89 G C 0.080 175.005 174.900 0.042 0.000 1.012 89 G CA 0.575 45.660 45.100 -0.024 0.000 0.749 89 G HN 0.283 nan 8.290 nan 0.000 0.512 90 E N -0.239 120.003 120.200 0.071 0.000 2.385 90 E HA 0.633 4.985 4.350 0.004 0.000 0.254 90 E C 1.237 177.956 176.600 0.198 0.000 1.228 90 E CA 0.014 56.478 56.400 0.106 0.000 0.956 90 E CB 0.215 29.962 29.700 0.079 0.000 1.116 90 E HN 0.748 nan 8.360 nan 0.000 0.507 91 R N 0.916 121.494 120.500 0.131 0.000 2.756 91 R HA -0.039 4.303 4.340 0.004 0.000 0.264 91 R C 0.472 176.780 176.300 0.012 0.000 1.026 91 R CA 0.088 56.248 56.100 0.100 0.000 1.121 91 R CB -0.705 29.614 30.300 0.032 0.000 0.999 91 R HN 0.541 nan 8.270 nan 0.000 0.449 92 H N 2.787 121.701 119.070 -0.259 0.000 3.070 92 H HA 0.086 4.645 4.556 0.004 0.000 0.313 92 H C -1.941 173.103 175.328 -0.473 0.000 0.997 92 H CA -1.217 54.354 56.048 -0.795 0.000 1.438 92 H CB 0.786 30.195 29.762 -0.587 0.000 1.455 92 H HN 0.492 nan 8.280 nan 0.000 0.575 93 P HA -0.022 nan 4.420 nan 0.000 0.272 93 P C -0.355 176.930 177.300 -0.024 0.000 1.223 93 P CA -0.449 62.567 63.100 -0.141 0.000 0.784 93 P CB 0.625 32.260 31.700 -0.109 0.000 0.923 94 V N 2.742 122.634 119.914 -0.036 0.000 2.673 94 V HA 0.002 4.124 4.120 0.004 0.000 0.303 94 V C 1.128 177.229 176.094 0.012 0.000 1.046 94 V CA 0.325 62.619 62.300 -0.009 0.000 1.126 94 V CB -0.225 31.614 31.823 0.026 0.000 0.934 94 V HN 0.468 nan 8.190 nan 0.000 0.487 95 R N 4.014 124.504 120.500 -0.018 0.000 2.349 95 R HA 0.512 4.854 4.340 0.004 0.000 0.299 95 R C -0.355 175.940 176.300 -0.009 0.000 1.027 95 R CA -0.310 55.782 56.100 -0.014 0.000 0.958 95 R CB 0.843 31.107 30.300 -0.059 0.000 1.047 95 R HN 0.866 nan 8.270 nan 0.000 0.468 96 E N 1.579 121.795 120.200 0.027 0.000 2.429 96 E HA 0.573 4.925 4.350 0.004 0.000 0.276 96 E C -1.562 175.068 176.600 0.050 0.000 0.953 96 E CA -1.258 55.162 56.400 0.033 0.000 0.787 96 E CB 2.075 31.844 29.700 0.115 0.000 1.307 96 E HN 0.611 nan 8.360 nan 0.000 0.458 97 A N 1.301 124.152 122.820 0.051 0.000 2.365 97 A HA 0.544 4.866 4.320 0.004 0.000 0.318 97 A C -0.625 177.041 177.584 0.137 0.000 1.091 97 A CA -0.650 51.436 52.037 0.082 0.000 0.763 97 A CB 1.192 20.221 19.000 0.049 0.000 1.248 97 A HN 0.565 nan 8.150 nan 0.000 0.442 98 R N 1.713 122.309 120.500 0.160 0.000 2.340 98 R HA 0.556 4.898 4.340 0.004 0.000 0.300 98 R C -0.510 175.917 176.300 0.211 0.000 1.069 98 R CA 0.192 56.413 56.100 0.201 0.000 0.984 98 R CB 0.669 31.089 30.300 0.200 0.000 1.003 98 R HN 0.849 nan 8.270 nan 0.000 0.459 99 A N 4.775 127.755 122.820 0.266 0.000 2.335 99 A HA 0.423 4.745 4.320 0.004 0.000 0.304 99 A C -1.063 176.730 177.584 0.348 0.000 1.118 99 A CA -0.707 51.495 52.037 0.277 0.000 0.757 99 A CB 1.703 20.868 19.000 0.275 0.000 1.188 99 A HN 0.503 nan 8.150 nan 0.000 0.460 100 V N 4.333 124.441 119.914 0.323 0.000 2.350 100 V HA 0.367 4.489 4.120 0.004 0.000 0.276 100 V C -0.181 176.117 176.094 0.340 0.000 1.028 100 V CA -0.053 62.471 62.300 0.374 0.000 0.860 100 V CB 0.865 32.941 31.823 0.423 0.000 0.990 100 V HN 0.724 nan 8.190 nan 0.000 0.453 101 I N 5.141 125.921 120.570 0.351 0.000 2.362 101 I HA 0.407 4.579 4.170 0.004 0.000 0.289 101 I C -0.744 175.534 176.117 0.268 0.000 0.994 101 I CA -0.449 60.949 61.300 0.162 0.000 1.158 101 I CB 1.540 39.483 38.000 -0.094 0.000 1.315 101 I HN 0.365 nan 8.210 nan 0.000 0.451 102 F N 6.107 126.074 119.950 0.029 0.000 2.413 102 F HA 0.257 4.787 4.527 0.004 0.000 0.359 102 F C 0.098 175.961 175.800 0.106 0.000 1.122 102 F CA -0.784 57.342 58.000 0.209 0.000 1.160 102 F CB -0.007 39.134 39.000 0.234 0.000 1.146 102 F HN 0.246 nan 8.300 nan 0.000 0.514 103 F N 2.231 122.462 119.950 0.469 0.000 2.541 103 F HA 0.300 4.829 4.527 0.004 0.000 0.351 103 F C 1.443 177.167 175.800 -0.128 0.000 1.209 103 F CA -0.421 57.686 58.000 0.177 0.000 1.277 103 F CB 0.336 39.401 39.000 0.108 0.000 1.632 103 F HN 0.595 nan 8.300 nan 0.000 0.619 104 G N -0.016 108.810 108.800 0.044 0.000 2.551 104 G HA2 -0.162 3.800 3.960 0.004 0.000 0.216 104 G HA3 -0.162 3.800 3.960 0.004 0.000 0.216 104 G C 0.606 175.399 174.900 -0.178 0.000 1.137 104 G CA 0.098 44.995 45.100 -0.338 0.000 0.798 104 G HN 0.358 nan 8.290 nan 0.000 0.536 105 D N 0.778 121.171 120.400 -0.013 0.000 2.896 105 D HA 0.241 4.883 4.640 0.004 0.000 0.240 105 D C 0.497 176.773 176.300 -0.039 0.000 1.193 105 D CA -0.251 53.742 54.000 -0.013 0.000 0.983 105 D CB -0.482 40.338 40.800 0.033 0.000 1.074 105 D HN 0.581 nan 8.370 nan 0.000 0.496 106 Q N -0.916 118.818 119.800 -0.111 0.000 2.756 106 Q HA 0.189 4.531 4.340 0.004 0.000 0.295 106 Q C 0.249 176.128 176.000 -0.203 0.000 0.903 106 Q CA -0.828 54.897 55.803 -0.130 0.000 0.768 106 Q CB 0.667 29.340 28.738 -0.108 0.000 1.472 106 Q HN -0.043 nan 8.270 nan 0.000 0.416 107 E N -0.039 120.016 120.200 -0.243 0.000 2.077 107 E HA -0.132 4.220 4.350 0.004 0.000 0.193 107 E C -0.157 176.122 176.600 -0.535 0.000 0.989 107 E CA 1.057 57.217 56.400 -0.400 0.000 0.800 107 E CB 0.247 29.646 29.700 -0.503 0.000 0.746 107 E HN 0.461 nan 8.360 nan 0.000 0.452 108 H N 0.567 119.544 119.070 -0.156 0.000 2.632 108 H HA 0.312 4.870 4.556 0.004 0.000 0.258 108 H C -2.370 172.815 175.328 -0.239 0.000 1.278 108 H CA -2.427 53.516 56.048 -0.176 0.000 1.352 108 H CB 0.705 30.388 29.762 -0.131 0.000 1.418 108 H HN 0.140 nan 8.280 nan 0.000 0.513 109 P HA -0.018 nan 4.420 nan 0.000 0.267 109 P C 0.206 177.344 177.300 -0.269 0.000 1.200 109 P CA 0.167 62.907 63.100 -0.601 0.000 0.772 109 P CB 0.836 31.603 31.700 -1.556 0.000 0.855 110 N N 0.136 118.835 118.700 -0.001 0.000 2.934 110 N HA 0.457 5.199 4.740 0.004 0.000 0.253 110 N C -1.933 173.866 175.510 0.482 0.000 1.466 110 N CA -0.907 52.300 53.050 0.263 0.000 0.858 110 N CB 0.766 39.332 38.487 0.131 0.000 1.459 110 N HN -0.007 nan 8.380 nan 0.000 0.532 111 V N 0.190 120.310 119.914 0.343 0.000 2.417 111 V HA 0.658 4.780 4.120 0.004 0.000 0.291 111 V C -0.556 175.711 176.094 0.288 0.000 1.024 111 V CA -0.301 62.200 62.300 0.335 0.000 0.861 111 V CB 1.067 33.010 31.823 0.201 0.000 0.985 111 V HN 0.838 nan 8.190 nan 0.000 0.436 112 T N 4.332 119.113 114.554 0.379 0.000 2.861 112 T HA 0.504 4.856 4.350 0.004 0.000 0.287 112 T C -0.612 174.124 174.700 0.061 0.000 1.003 112 T CA -0.700 61.506 62.100 0.177 0.000 0.977 112 T CB 1.807 70.815 68.868 0.234 0.000 0.996 112 T HN 0.679 nan 8.240 nan 0.000 0.448 113 E N 1.493 121.619 120.200 -0.122 0.000 2.222 113 E HA 0.646 4.999 4.350 0.004 0.000 0.272 113 E C -1.170 175.193 176.600 -0.395 0.000 0.982 113 E CA -0.661 55.717 56.400 -0.036 0.000 0.842 113 E CB 1.486 31.269 29.700 0.138 0.000 1.144 113 E HN 0.424 nan 8.360 nan 0.000 0.397 114 F N 0.035 120.123 119.950 0.230 0.000 2.599 114 F HA 0.506 5.036 4.527 0.004 0.000 0.311 114 F C -0.213 175.712 175.800 0.210 0.000 1.076 114 F CA -1.101 57.031 58.000 0.220 0.000 0.937 114 F CB 1.592 40.731 39.000 0.233 0.000 1.282 114 F HN 0.407 nan 8.300 nan 0.000 0.460 115 A N 1.723 124.787 122.820 0.407 0.000 2.252 115 A HA 0.703 5.025 4.320 0.004 0.000 0.309 115 A C -1.044 176.754 177.584 0.357 0.000 1.285 115 A CA -0.565 51.672 52.037 0.334 0.000 0.900 115 A CB 0.312 19.493 19.000 0.302 0.000 1.157 115 A HN 0.537 nan 8.150 nan 0.000 0.536 116 V N 2.730 122.763 119.914 0.199 0.000 2.394 116 V HA 0.790 4.912 4.120 0.004 0.000 0.282 116 V C 0.789 176.706 176.094 -0.294 0.000 1.031 116 V CA 0.583 62.873 62.300 -0.016 0.000 0.881 116 V CB 1.043 32.880 31.823 0.023 0.000 0.982 116 V HN 1.284 nan 8.190 nan 0.000 0.451 117 G N 5.636 113.884 108.800 -0.919 0.000 2.606 117 G HA2 0.666 4.628 3.960 0.004 0.000 0.300 117 G HA3 0.666 4.628 3.960 0.004 0.000 0.300 117 G C -3.404 170.672 174.900 -1.374 0.000 1.360 117 G CA -0.903 43.613 45.100 -0.974 0.000 0.783 117 G HN 0.475 nan 8.290 nan 0.000 0.484 118 P HA 0.521 nan 4.420 nan 0.000 0.278 118 P C -0.774 176.363 177.300 -0.272 0.000 1.266 118 P CA -0.450 62.473 63.100 -0.295 0.000 0.807 118 P CB 1.508 33.145 31.700 -0.105 0.000 1.094 119 L N 1.391 122.506 121.223 -0.180 0.000 2.349 119 L HA 0.442 4.785 4.340 0.004 0.000 0.278 119 L C -1.888 174.898 176.870 -0.139 0.000 0.996 119 L CA -2.126 52.620 54.840 -0.157 0.000 0.825 119 L CB 1.731 43.715 42.059 -0.125 0.000 1.243 119 L HN 0.282 nan 8.230 nan 0.000 0.412 120 P HA 0.243 nan 4.420 nan 0.000 0.274 120 P C 0.240 177.456 177.300 -0.140 0.000 1.246 120 P CA 0.004 63.029 63.100 -0.125 0.000 0.795 120 P CB 1.066 32.705 31.700 -0.101 0.000 1.006 121 G N 0.622 109.335 108.800 -0.145 0.000 2.545 121 G HA2 -0.091 3.871 3.960 0.004 0.000 0.279 121 G HA3 -0.091 3.871 3.960 0.004 0.000 0.279 121 G C -2.531 172.212 174.900 -0.261 0.000 1.131 121 G CA -0.712 44.295 45.100 -0.155 0.000 1.100 121 G HN 0.526 nan 8.290 nan 0.000 0.525 122 P HA 0.329 nan 4.420 nan 0.000 0.271 122 P C 1.034 177.800 177.300 -0.890 0.000 1.226 122 P CA 0.438 63.099 63.100 -0.731 0.000 0.765 122 P CB 0.916 32.108 31.700 -0.847 0.000 0.835 123 C N 2.223 121.063 119.300 -0.766 0.000 3.626 123 C HA 0.477 4.939 4.460 0.004 0.000 0.276 123 C C -0.300 174.681 174.990 -0.015 0.000 1.694 123 C CA -0.683 58.151 59.018 -0.307 0.000 1.785 123 C CB -1.573 26.135 27.740 -0.052 0.000 3.152 123 C HN 0.569 nan 8.230 nan 0.000 0.571 124 Y N -0.562 119.646 120.300 -0.154 0.000 2.588 124 Y HA 0.827 5.379 4.550 0.004 0.000 0.343 124 Y C -0.799 175.212 175.900 0.185 0.000 1.065 124 Y CA -2.193 55.977 58.100 0.116 0.000 1.038 124 Y CB 0.946 39.446 38.460 0.067 0.000 1.297 124 Y HN 0.222 nan 8.280 nan 0.000 0.467 125 M N 2.834 122.753 119.600 0.533 0.000 2.035 125 M HA 0.612 5.095 4.480 0.004 0.000 0.286 125 M C -1.309 175.279 176.300 0.481 0.000 0.907 125 M CA -0.823 54.749 55.300 0.454 0.000 0.935 125 M CB 1.856 34.574 32.600 0.197 0.000 1.557 125 M HN 0.864 nan 8.290 nan 0.000 0.426 126 R N 2.396 123.199 120.500 0.505 0.000 2.532 126 R HA 0.876 5.218 4.340 0.004 0.000 0.272 126 R C -0.267 176.267 176.300 0.390 0.000 1.032 126 R CA -0.477 55.830 56.100 0.346 0.000 1.089 126 R CB 0.961 31.351 30.300 0.150 0.000 1.098 126 R HN 0.741 nan 8.270 nan 0.000 0.526 127 A N 1.970 124.941 122.820 0.252 0.000 2.483 127 A HA 0.321 4.643 4.320 0.004 0.000 0.238 127 A C -0.553 177.077 177.584 0.076 0.000 1.070 127 A CA -0.291 51.805 52.037 0.098 0.000 0.770 127 A CB 0.268 19.303 19.000 0.058 0.000 1.008 127 A HN 0.592 nan 8.150 nan 0.000 0.497 128 L N 1.159 122.385 121.223 0.004 0.000 2.464 128 L HA 0.508 4.850 4.340 0.004 0.000 0.266 128 L C 0.386 177.285 176.870 0.047 0.000 0.965 128 L CA 0.704 55.583 54.840 0.064 0.000 0.833 128 L CB 1.755 43.886 42.059 0.120 0.000 1.296 128 L HN 1.071 nan 8.230 nan 0.000 0.405 129 S N 2.788 118.532 115.700 0.074 0.000 3.559 129 S HA -0.116 4.356 4.470 0.004 0.000 0.369 129 S C -2.185 172.435 174.600 0.035 0.000 0.987 129 S CA 0.502 58.746 58.200 0.073 0.000 1.187 129 S CB -2.004 61.266 63.200 0.116 0.000 0.914 129 S HN 0.682 nan 8.310 nan 0.000 0.480 130 P HA 0.270 nan 4.420 nan 0.000 0.271 130 P C -0.121 177.187 177.300 0.014 0.000 1.216 130 P CA -0.043 63.061 63.100 0.007 0.000 0.771 130 P CB 0.542 32.248 31.700 0.009 0.000 0.864 131 R N 3.614 124.124 120.500 0.016 0.000 2.748 131 R HA 0.282 4.624 4.340 0.004 0.000 0.283 131 R C -2.201 174.133 176.300 0.058 0.000 1.507 131 R CA -1.612 54.502 56.100 0.023 0.000 1.666 131 R CB 0.551 30.845 30.300 -0.011 0.000 1.237 131 R HN 0.396 nan 8.270 nan 0.000 0.633 132 P HA 0.134 nan 4.420 nan 0.000 0.271 132 P C 0.501 177.828 177.300 0.045 0.000 1.216 132 P CA 0.812 63.932 63.100 0.034 0.000 0.776 132 P CB 1.278 32.989 31.700 0.018 0.000 0.881 133 G N 1.173 109.994 108.800 0.035 0.000 2.176 133 G HA2 -0.278 3.684 3.960 0.004 0.000 0.253 133 G HA3 -0.278 3.684 3.960 0.004 0.000 0.253 133 G C -0.232 174.715 174.900 0.080 0.000 0.979 133 G CA 0.148 45.268 45.100 0.033 0.000 0.641 133 G HN 0.675 nan 8.290 nan 0.000 0.530 134 Y N 0.957 121.233 120.300 -0.041 0.000 2.323 134 Y HA 0.626 5.178 4.550 0.004 0.000 0.331 134 Y C 1.228 177.099 175.900 -0.048 0.000 1.092 134 Y CA -0.324 57.750 58.100 -0.044 0.000 1.150 134 Y CB 1.200 39.630 38.460 -0.049 0.000 1.200 134 Y HN 0.099 nan 8.280 nan 0.000 0.472 135 Q N 1.940 121.361 119.800 -0.631 0.000 2.245 135 Q HA 0.133 4.475 4.340 0.004 0.000 0.236 135 Q C 0.576 176.223 176.000 -0.588 0.000 0.842 135 Q CA 0.099 55.618 55.803 -0.474 0.000 0.945 135 Q CB 0.976 29.548 28.738 -0.276 0.000 1.122 135 Q HN 0.604 nan 8.270 nan 0.000 0.506 136 S N 0.554 115.597 115.700 -1.094 0.000 2.583 136 S HA 0.009 4.481 4.470 0.004 0.000 0.239 136 S C 1.590 175.986 174.600 -0.339 0.000 0.966 136 S CA 0.136 57.989 58.200 -0.579 0.000 0.973 136 S CB 0.286 63.285 63.200 -0.334 0.000 0.794 136 S HN 0.384 nan 8.310 nan 0.000 0.463 137 S N 0.915 116.426 115.700 -0.315 0.000 2.383 137 S HA -0.161 4.311 4.470 0.004 0.000 0.229 137 S C 1.583 176.202 174.600 0.033 0.000 1.030 137 S CA 0.361 58.574 58.200 0.022 0.000 1.002 137 S CB -0.676 62.544 63.200 0.033 0.000 0.829 137 S HN 0.817 nan 8.310 nan 0.000 0.467 138 W N 2.406 123.614 121.300 -0.153 0.000 2.355 138 W HA -0.121 4.541 4.660 0.004 0.000 0.309 138 W C 2.628 179.046 176.519 -0.168 0.000 1.206 138 W CA 1.466 58.706 57.345 -0.175 0.000 1.284 138 W CB -0.524 28.859 29.460 -0.129 0.000 1.145 138 W HN 0.474 nan 8.180 nan 0.000 0.502 139 A N 0.487 123.288 122.820 -0.032 0.000 1.972 139 A HA -0.247 4.075 4.320 0.004 0.000 0.219 139 A C 1.976 179.484 177.584 -0.128 0.000 1.169 139 A CA 2.388 54.355 52.037 -0.118 0.000 0.635 139 A CB -1.282 17.697 19.000 -0.035 0.000 0.810 139 A HN 0.381 nan 8.150 nan 0.000 0.446 140 S N 0.305 115.985 115.700 -0.034 0.000 2.507 140 S HA -0.093 4.379 4.470 0.004 0.000 0.235 140 S C 1.135 175.739 174.600 0.006 0.000 0.988 140 S CA 0.287 58.518 58.200 0.052 0.000 0.944 140 S CB -0.560 62.751 63.200 0.185 0.000 0.762 140 S HN 0.749 nan 8.310 nan 0.000 0.526 141 R N 1.232 121.605 120.500 -0.213 0.000 2.641 141 R HA 0.378 4.720 4.340 0.004 0.000 0.269 141 R C -2.968 173.116 176.300 -0.359 0.000 1.074 141 R CA -1.468 54.424 56.100 -0.347 0.000 1.133 141 R CB -0.745 28.964 30.300 -0.984 0.000 1.029 141 R HN 0.064 nan 8.270 nan 0.000 0.488 142 P HA -0.003 nan 4.420 nan 0.000 0.270 142 P C -0.081 177.056 177.300 -0.272 0.000 1.223 142 P CA -0.157 62.778 63.100 -0.276 0.000 0.785 142 P CB 0.465 32.114 31.700 -0.084 0.000 0.923 143 I N 1.042 121.451 120.570 -0.269 0.000 2.823 143 I HA 0.212 4.384 4.170 0.004 0.000 0.290 143 I C 0.228 176.353 176.117 0.012 0.000 1.091 143 I CA 0.438 61.604 61.300 -0.223 0.000 1.365 143 I CB 0.634 38.387 38.000 -0.412 0.000 1.427 143 I HN 0.461 nan 8.210 nan 0.000 0.583 144 S N 2.425 118.154 115.700 0.049 0.000 2.627 144 S HA 0.352 4.824 4.470 0.004 0.000 0.283 144 S C 0.512 175.301 174.600 0.314 0.000 1.127 144 S CA -0.406 57.956 58.200 0.269 0.000 0.863 144 S CB 1.576 64.972 63.200 0.325 0.000 1.121 144 S HN 0.665 nan 8.310 nan 0.000 0.479 145 T N 1.764 116.554 114.554 0.392 0.000 2.665 145 T HA -0.147 4.205 4.350 0.004 0.000 0.268 145 T C 2.139 177.051 174.700 0.352 0.000 1.035 145 T CA 2.105 64.454 62.100 0.415 0.000 1.151 145 T CB -0.976 68.066 68.868 0.290 0.000 0.862 145 T HN 0.896 nan 8.240 nan 0.000 0.438 146 A N 1.113 124.097 122.820 0.273 0.000 1.902 146 A HA -0.157 4.165 4.320 0.004 0.000 0.217 146 A C 2.222 179.970 177.584 0.273 0.000 1.181 146 A CA 2.004 54.185 52.037 0.240 0.000 0.623 146 A CB -0.632 18.494 19.000 0.209 0.000 0.818 146 A HN 0.631 nan 8.150 nan 0.000 0.443 147 E N -1.624 118.736 120.200 0.268 0.000 2.072 147 E HA -0.201 4.152 4.350 0.004 0.000 0.191 147 E C 1.723 178.507 176.600 0.308 0.000 0.985 147 E CA 1.114 57.687 56.400 0.289 0.000 0.801 147 E CB -0.252 29.534 29.700 0.144 0.000 0.750 147 E HN 0.677 nan 8.360 nan 0.000 0.452 148 Y N 0.372 120.867 120.300 0.325 0.000 2.165 148 Y HA -0.208 4.344 4.550 0.004 0.000 0.286 148 Y C 2.290 178.474 175.900 0.473 0.000 1.155 148 Y CA 1.279 59.616 58.100 0.395 0.000 1.164 148 Y CB -0.768 37.912 38.460 0.366 0.000 0.978 148 Y HN 0.174 nan 8.280 nan 0.000 0.513 149 A N -0.176 122.955 122.820 0.519 0.000 1.877 149 A HA -0.151 4.171 4.320 0.004 0.000 0.216 149 A C 2.285 180.099 177.584 0.383 0.000 1.186 149 A CA 1.641 53.920 52.037 0.403 0.000 0.620 149 A CB -1.107 18.041 19.000 0.246 0.000 0.822 149 A HN 0.459 nan 8.150 nan 0.000 0.443 150 L N -0.687 120.730 121.223 0.323 0.000 2.083 150 L HA -0.153 4.189 4.340 0.004 0.000 0.209 150 L C 2.542 179.661 176.870 0.415 0.000 1.083 150 L CA 0.788 55.771 54.840 0.238 0.000 0.752 150 L CB -0.497 41.577 42.059 0.024 0.000 0.899 150 L HN 0.367 nan 8.230 nan 0.000 0.433 151 L N -1.671 119.861 121.223 0.514 0.000 2.017 151 L HA -0.262 4.080 4.340 0.004 0.000 0.208 151 L C 2.604 179.576 176.870 0.169 0.000 1.073 151 L CA 1.494 56.509 54.840 0.292 0.000 0.745 151 L CB -0.529 41.573 42.059 0.072 0.000 0.894 151 L HN 0.164 nan 8.230 nan 0.000 0.432 152 Y N -0.882 119.637 120.300 0.365 0.000 2.165 152 Y HA -0.330 4.222 4.550 0.004 0.000 0.286 152 Y C 2.774 178.759 175.900 0.142 0.000 1.155 152 Y CA 2.062 60.337 58.100 0.293 0.000 1.164 152 Y CB -0.518 38.127 38.460 0.310 0.000 0.978 152 Y HN 0.259 nan 8.280 nan 0.000 0.513 153 H N -0.832 118.381 119.070 0.239 0.000 2.353 153 H HA -0.135 4.423 4.556 0.004 0.000 0.300 153 H C 2.097 177.458 175.328 0.056 0.000 1.090 153 H CA 2.284 58.403 56.048 0.119 0.000 1.327 153 H CB -0.205 29.601 29.762 0.073 0.000 1.383 153 H HN 0.161 nan 8.280 nan 0.000 0.508 154 T N 0.978 115.607 114.554 0.125 0.000 2.684 154 T HA -0.136 4.216 4.350 0.004 0.000 0.267 154 T C 2.205 176.851 174.700 -0.090 0.000 1.036 154 T CA 1.463 63.595 62.100 0.053 0.000 1.148 154 T CB -0.302 68.692 68.868 0.211 0.000 0.863 154 T HN 0.245 nan 8.240 nan 0.000 0.436 155 L N 0.667 121.784 121.223 -0.176 0.000 2.017 155 L HA -0.148 4.194 4.340 0.004 0.000 0.208 155 L C 2.947 179.620 176.870 -0.328 0.000 1.073 155 L CA 1.426 56.048 54.840 -0.364 0.000 0.745 155 L CB -0.633 40.994 42.059 -0.720 0.000 0.894 155 L HN 0.335 nan 8.230 nan 0.000 0.432 156 Q N -0.414 119.246 119.800 -0.233 0.000 2.112 156 Q HA -0.236 4.107 4.340 0.004 0.000 0.206 156 Q C 2.153 178.104 176.000 -0.082 0.000 0.987 156 Q CA 1.537 57.294 55.803 -0.076 0.000 0.858 156 Q CB -0.016 28.710 28.738 -0.019 0.000 0.905 156 Q HN 0.475 nan 8.270 nan 0.000 0.420 157 E N 0.130 120.227 120.200 -0.172 0.000 2.033 157 E HA -0.077 4.275 4.350 0.004 0.000 0.189 157 E C 2.009 178.573 176.600 -0.060 0.000 0.979 157 E CA 1.011 57.334 56.400 -0.128 0.000 0.802 157 E CB -0.305 29.290 29.700 -0.176 0.000 0.763 157 E HN 0.320 nan 8.360 nan 0.000 0.449 158 A N 1.342 124.126 122.820 -0.061 0.000 1.978 158 A HA -0.138 4.185 4.320 0.004 0.000 0.220 158 A C 2.252 179.829 177.584 -0.012 0.000 1.170 158 A CA 2.236 54.253 52.037 -0.032 0.000 0.636 158 A CB -0.732 18.246 19.000 -0.037 0.000 0.810 158 A HN 0.346 nan 8.150 nan 0.000 0.448 159 T N -3.515 111.048 114.554 0.014 0.000 3.163 159 T HA 0.227 4.579 4.350 0.004 0.000 0.252 159 T C 1.282 176.046 174.700 0.107 0.000 1.056 159 T CA 0.364 62.522 62.100 0.096 0.000 0.947 159 T CB 0.014 69.073 68.868 0.317 0.000 1.016 159 T HN 0.450 nan 8.240 nan 0.000 0.554 160 K N 1.711 122.151 120.400 0.066 0.000 2.089 160 K HA -0.077 4.245 4.320 0.004 0.000 0.210 160 K C -0.772 175.849 176.600 0.035 0.000 1.048 160 K CA 1.766 58.090 56.287 0.060 0.000 0.926 160 K CB -1.030 31.478 32.500 0.013 0.000 0.714 160 K HN 0.368 nan 8.250 nan 0.000 0.448 161 P HA -0.130 nan 4.420 nan 0.000 0.220 161 P C 0.829 178.067 177.300 -0.103 0.000 1.148 161 P CA 1.118 64.192 63.100 -0.044 0.000 0.803 161 P CB 0.078 31.739 31.700 -0.064 0.000 0.782 162 L N -2.479 118.611 121.223 -0.222 0.000 2.591 162 L HA 0.018 4.361 4.340 0.004 0.000 0.228 162 L C 2.294 178.844 176.870 -0.535 0.000 1.133 162 L CA 0.161 54.694 54.840 -0.511 0.000 0.880 162 L CB -0.826 40.689 42.059 -0.907 0.000 1.033 162 L HN 0.047 nan 8.230 nan 0.000 0.450 163 H N 0.634 119.581 119.070 -0.205 0.000 2.289 163 H HA -0.213 4.345 4.556 0.004 0.000 0.296 163 H C 2.280 177.640 175.328 0.053 0.000 1.091 163 H CA 1.933 58.004 56.048 0.038 0.000 1.274 163 H CB 0.317 30.144 29.762 0.108 0.000 1.364 163 H HN 0.155 nan 8.280 nan 0.000 0.490 164 Q N -0.429 119.375 119.800 0.006 0.000 2.084 164 Q HA -0.148 4.195 4.340 0.004 0.000 0.202 164 Q C 2.386 178.369 176.000 -0.028 0.000 0.978 164 Q CA 1.424 57.221 55.803 -0.009 0.000 0.844 164 Q CB -0.829 27.974 28.738 0.109 0.000 0.898 164 Q HN 0.553 nan 8.270 nan 0.000 0.426 165 F N 0.763 120.562 119.950 -0.251 0.000 2.091 165 F HA -0.271 4.258 4.527 0.004 0.000 0.299 165 F C 1.732 177.331 175.800 -0.335 0.000 1.103 165 F CA 1.249 58.925 58.000 -0.540 0.000 1.228 165 F CB -0.284 38.233 39.000 -0.806 0.000 0.984 165 F HN -0.051 nan 8.300 nan 0.000 0.477 166 F N 0.527 120.344 119.950 -0.223 0.000 2.102 166 F HA -0.166 4.363 4.527 0.004 0.000 0.298 166 F C 2.340 177.977 175.800 -0.270 0.000 1.105 166 F CA 1.231 59.074 58.000 -0.261 0.000 1.239 166 F CB -1.419 37.547 39.000 -0.056 0.000 0.991 166 F HN -0.001 nan 8.300 nan 0.000 0.474 167 L N -0.434 120.751 121.223 -0.063 0.000 2.056 167 L HA -0.223 4.119 4.340 0.004 0.000 0.207 167 L C 2.333 179.160 176.870 -0.071 0.000 1.078 167 L CA 1.251 56.042 54.840 -0.082 0.000 0.749 167 L CB -0.637 41.334 42.059 -0.146 0.000 0.901 167 L HN 0.194 nan 8.230 nan 0.000 0.433 168 N N -0.622 118.014 118.700 -0.108 0.000 2.142 168 N HA -0.148 4.594 4.740 0.004 0.000 0.186 168 N C 1.818 177.243 175.510 -0.141 0.000 1.023 168 N CA 2.105 55.109 53.050 -0.077 0.000 0.852 168 N CB -0.019 38.474 38.487 0.011 0.000 0.998 168 N HN 0.465 nan 8.380 nan 0.000 0.424 169 T N -2.442 111.912 114.554 -0.333 0.000 3.009 169 T HA -0.007 4.345 4.350 0.004 0.000 0.258 169 T C 1.918 176.509 174.700 -0.182 0.000 1.063 169 T CA 1.401 63.297 62.100 -0.340 0.000 1.139 169 T CB -0.057 68.373 68.868 -0.730 0.000 0.890 169 T HN 0.249 nan 8.240 nan 0.000 0.471 170 T N -3.165 111.309 114.554 -0.133 0.000 2.958 170 T HA 0.488 4.840 4.350 0.004 0.000 0.256 170 T C 1.922 176.691 174.700 0.116 0.000 0.983 170 T CA 0.775 62.843 62.100 -0.054 0.000 0.924 170 T CB -0.127 68.682 68.868 -0.099 0.000 1.136 170 T HN 0.886 nan 8.240 nan 0.000 0.506 171 G N 1.121 109.997 108.800 0.126 0.000 2.168 171 G HA2 -0.199 3.763 3.960 0.004 0.000 0.263 171 G HA3 -0.199 3.763 3.960 0.004 0.000 0.263 171 G C -0.166 174.898 174.900 0.273 0.000 0.977 171 G CA 0.479 45.696 45.100 0.195 0.000 0.659 171 G HN 0.549 nan 8.290 nan 0.000 0.533 172 F N 0.435 120.329 119.950 -0.093 0.000 2.631 172 F HA 0.821 5.350 4.527 0.004 0.000 0.328 172 F C 0.595 176.305 175.800 -0.150 0.000 1.067 172 F CA -0.719 57.207 58.000 -0.123 0.000 0.969 172 F CB 2.238 41.136 39.000 -0.169 0.000 1.332 172 F HN 0.476 nan 8.300 nan 0.000 0.490 173 S N -0.658 115.034 115.700 -0.014 0.000 2.625 173 S HA 0.559 5.031 4.470 0.004 0.000 0.271 173 S C -0.432 174.088 174.600 -0.132 0.000 1.161 173 S CA -0.596 57.601 58.200 -0.005 0.000 0.820 173 S CB 1.333 64.657 63.200 0.206 0.000 1.137 173 S HN 0.304 nan 8.310 nan 0.000 0.470 174 F N 1.345 121.375 119.950 0.134 0.000 2.262 174 F HA 0.239 4.768 4.527 0.004 0.000 0.292 174 F C 1.469 177.349 175.800 0.134 0.000 1.081 174 F CA 0.635 58.715 58.000 0.134 0.000 1.355 174 F CB -0.003 39.101 39.000 0.174 0.000 1.069 174 F HN 0.760 nan 8.300 nan 0.000 0.506 175 Q N 0.445 120.468 119.800 0.372 0.000 2.235 175 Q HA 0.203 4.545 4.340 0.004 0.000 0.250 175 Q C -0.723 175.348 176.000 0.118 0.000 0.909 175 Q CA -0.463 55.440 55.803 0.167 0.000 0.910 175 Q CB 1.065 29.818 28.738 0.025 0.000 1.223 175 Q HN 0.185 nan 8.270 nan 0.000 0.432 176 D N 0.514 120.931 120.400 0.028 0.000 2.708 176 D HA -0.173 4.469 4.640 0.004 0.000 0.236 176 D C -0.324 175.963 176.300 -0.022 0.000 1.146 176 D CA 1.070 55.072 54.000 0.004 0.000 0.662 176 D CB -1.936 38.901 40.800 0.062 0.000 1.059 176 D HN 0.765 nan 8.370 nan 0.000 0.428 177 c N -2.126 116.388 118.600 -0.144 0.000 2.358 177 c HA 0.745 5.317 4.570 0.004 0.000 0.354 177 c C 1.475 175.302 174.090 -0.438 0.000 1.183 177 c CA -0.597 55.642 56.329 -0.150 0.000 2.150 177 c CB 2.449 44.902 42.510 -0.095 0.000 2.361 177 c HN 0.447 nan 8.230 nan 0.000 0.535 178 H N -0.074 118.951 119.070 -0.075 0.000 1.837 178 H HA 0.168 4.726 4.556 0.004 0.000 0.168 178 H C 0.162 175.439 175.328 -0.085 0.000 0.966 178 H CA 0.305 56.312 56.048 -0.069 0.000 1.037 178 H CB 0.086 29.813 29.762 -0.059 0.000 1.008 178 H HN 0.618 nan 8.280 nan 0.000 0.340 179 D N 0.851 121.258 120.400 0.013 0.000 2.433 179 D HA 0.151 4.793 4.640 0.004 0.000 0.211 179 D C 0.339 176.494 176.300 -0.242 0.000 1.114 179 D CA 0.168 54.122 54.000 -0.077 0.000 0.837 179 D CB 1.055 41.810 40.800 -0.075 0.000 0.984 179 D HN 0.171 nan 8.370 nan 0.000 0.505 180 R N 0.332 120.599 120.500 -0.389 0.000 2.835 180 R HA 0.356 4.698 4.340 0.004 0.000 0.290 180 R C -0.811 175.157 176.300 -0.553 0.000 1.410 180 R CA -0.289 55.198 56.100 -1.022 0.000 1.590 180 R CB 0.481 30.106 30.300 -1.125 0.000 1.288 180 R HN -0.068 nan 8.270 nan 0.000 0.637 181 c N 1.621 120.151 118.600 -0.118 0.000 2.350 181 c HA 0.415 4.987 4.570 0.004 0.000 0.348 181 c C 0.742 174.889 174.090 0.094 0.000 1.260 181 c CA -0.768 55.548 56.329 -0.021 0.000 1.966 181 c CB 0.359 42.825 42.510 -0.072 0.000 2.380 181 c HN 0.571 nan 8.230 nan 0.000 0.535 182 L N 3.090 124.164 121.223 -0.248 0.000 2.371 182 L HA 0.556 4.899 4.340 0.004 0.000 0.272 182 L C 0.638 177.319 176.870 -0.315 0.000 1.124 182 L CA 0.221 54.768 54.840 -0.490 0.000 0.816 182 L CB 0.466 41.755 42.059 -1.284 0.000 1.129 182 L HN 0.868 nan 8.230 nan 0.000 0.448 183 A N 2.737 125.521 122.820 -0.060 0.000 2.389 183 A HA 0.915 5.238 4.320 0.004 0.000 0.293 183 A C -1.048 176.734 177.584 0.330 0.000 1.186 183 A CA -0.461 51.667 52.037 0.151 0.000 0.828 183 A CB 1.532 20.454 19.000 -0.129 0.000 1.369 183 A HN 0.594 nan 8.150 nan 0.000 0.446 184 F N -2.093 118.023 119.950 0.278 0.000 2.613 184 F HA 0.806 5.335 4.527 0.004 0.000 0.314 184 F C -0.532 175.449 175.800 0.301 0.000 1.075 184 F CA -0.652 57.491 58.000 0.239 0.000 0.945 184 F CB 1.715 40.794 39.000 0.132 0.000 1.310 184 F HN 0.323 nan 8.300 nan 0.000 0.467 185 T N 2.099 116.988 114.554 0.557 0.000 2.791 185 T HA 0.267 4.619 4.350 0.004 0.000 0.288 185 T C -1.202 173.832 174.700 0.556 0.000 0.999 185 T CA -0.695 61.707 62.100 0.503 0.000 0.952 185 T CB 0.693 69.904 68.868 0.572 0.000 0.938 185 T HN 0.689 nan 8.240 nan 0.000 0.444 186 D N 2.487 123.230 120.400 0.571 0.000 2.302 186 D HA 0.338 4.980 4.640 0.004 0.000 0.248 186 D C 0.497 177.094 176.300 0.494 0.000 1.094 186 D CA -0.539 53.778 54.000 0.529 0.000 0.897 186 D CB 1.286 42.426 40.800 0.566 0.000 1.200 186 D HN 0.352 nan 8.370 nan 0.000 0.429 187 V N -1.597 118.553 119.914 0.392 0.000 2.834 187 V HA 0.916 5.038 4.120 0.004 0.000 0.313 187 V C -0.209 176.040 176.094 0.258 0.000 1.060 187 V CA -0.907 61.539 62.300 0.243 0.000 0.989 187 V CB 1.031 32.897 31.823 0.071 0.000 1.041 187 V HN 0.970 nan 8.190 nan 0.000 0.459 188 A N 3.620 126.526 122.820 0.144 0.000 2.469 188 A HA 1.002 5.324 4.320 0.004 0.000 0.299 188 A C -2.912 174.694 177.584 0.036 0.000 1.098 188 A CA -1.959 50.191 52.037 0.188 0.000 0.737 188 A CB 1.865 21.095 19.000 0.383 0.000 1.312 188 A HN 0.786 nan 8.150 nan 0.000 0.414 189 P HA 0.313 nan 4.420 nan 0.000 0.277 189 P C -0.864 176.532 177.300 0.159 0.000 1.276 189 P CA -0.233 62.903 63.100 0.059 0.000 0.788 189 P CB 0.554 32.172 31.700 -0.137 0.000 1.114 190 R N 0.166 120.778 120.500 0.187 0.000 3.057 190 R HA 0.635 4.977 4.340 0.004 0.000 0.291 190 R C 0.405 176.800 176.300 0.158 0.000 1.394 190 R CA -0.307 55.880 56.100 0.146 0.000 1.630 190 R CB 0.275 30.604 30.300 0.048 0.000 1.268 190 R HN 0.854 nan 8.270 nan 0.000 0.621 191 G N -0.545 108.401 108.800 0.244 0.000 2.340 191 G HA2 -0.084 3.878 3.960 0.004 0.000 0.282 191 G HA3 -0.084 3.878 3.960 0.004 0.000 0.282 191 G C -0.180 174.853 174.900 0.222 0.000 1.312 191 G CA -0.312 44.879 45.100 0.153 0.000 0.942 191 G HN 0.197 nan 8.290 nan 0.000 0.495 192 V N -3.220 116.645 119.914 -0.082 0.000 3.477 192 V HA 0.790 4.912 4.120 0.004 0.000 0.297 192 V C 0.661 176.266 176.094 -0.815 0.000 1.433 192 V CA 1.269 63.476 62.300 -0.156 0.000 1.052 192 V CB -0.086 31.691 31.823 -0.077 0.000 0.895 192 V HN 2.492 nan 8.190 nan 0.000 0.438 193 A N -0.410 121.590 122.820 -1.367 0.000 2.601 193 A HA 0.700 5.022 4.320 0.004 0.000 0.291 193 A C -0.296 176.556 177.584 -1.220 0.000 1.075 193 A CA 0.128 51.196 52.037 -1.615 0.000 0.671 193 A CB 0.931 19.487 19.000 -0.740 0.000 1.277 193 A HN 0.523 nan 8.150 nan 0.000 0.417 194 S N -0.392 114.905 115.700 -0.672 0.000 2.546 194 S HA 0.421 4.893 4.470 0.004 0.000 0.290 194 S C 1.426 175.965 174.600 -0.102 0.000 1.290 194 S CA 1.841 60.001 58.200 -0.066 0.000 1.069 194 S CB -0.039 63.215 63.200 0.090 0.000 0.846 194 S HN 2.657 nan 8.310 nan 0.000 0.495 195 G N 3.539 112.332 108.800 -0.012 0.000 2.195 195 G HA2 -0.181 3.781 3.960 0.004 0.000 0.224 195 G HA3 -0.181 3.781 3.960 0.004 0.000 0.224 195 G C -0.095 174.762 174.900 -0.072 0.000 0.990 195 G CA 0.124 45.193 45.100 -0.052 0.000 0.639 195 G HN 0.742 nan 8.290 nan 0.000 0.514 196 Q N -0.434 119.312 119.800 -0.091 0.000 2.227 196 Q HA 0.677 5.020 4.340 0.004 0.000 0.245 196 Q C 0.279 176.215 176.000 -0.106 0.000 0.926 196 Q CA -0.567 55.170 55.803 -0.111 0.000 0.895 196 Q CB 1.424 30.077 28.738 -0.142 0.000 1.230 196 Q HN 0.268 nan 8.270 nan 0.000 0.450 197 R N 1.645 122.022 120.500 -0.206 0.000 2.687 197 R HA 0.239 4.581 4.340 0.004 0.000 0.264 197 R C -1.199 174.828 176.300 -0.455 0.000 1.715 197 R CA -0.192 55.685 56.100 -0.371 0.000 1.633 197 R CB 0.421 30.395 30.300 -0.543 0.000 1.353 197 R HN 0.525 nan 8.270 nan 0.000 0.653 198 R N 0.940 121.306 120.500 -0.223 0.000 2.320 198 R HA 0.368 4.710 4.340 0.004 0.000 0.319 198 R C -0.903 175.343 176.300 -0.090 0.000 0.969 198 R CA -0.497 55.500 56.100 -0.171 0.000 0.857 198 R CB 2.175 32.383 30.300 -0.154 0.000 1.160 198 R HN 0.157 nan 8.270 nan 0.000 0.491 199 S N 1.950 117.630 115.700 -0.035 0.000 2.475 199 S HA 0.321 4.794 4.470 0.004 0.000 0.298 199 S C -0.814 173.738 174.600 -0.080 0.000 1.119 199 S CA -0.790 57.432 58.200 0.036 0.000 1.085 199 S CB 0.796 64.084 63.200 0.147 0.000 1.028 199 S HN 0.385 nan 8.310 nan 0.000 0.489 200 W N 3.073 124.410 121.300 0.062 0.000 2.272 200 W HA 0.487 5.150 4.660 0.004 0.000 0.318 200 W C -0.514 176.046 176.519 0.068 0.000 1.255 200 W CA -0.489 56.886 57.345 0.051 0.000 1.200 200 W CB 0.462 29.944 29.460 0.037 0.000 1.170 200 W HN 0.346 nan 8.180 nan 0.000 0.549 201 L N 5.859 127.282 121.223 0.332 0.000 2.349 201 L HA 0.475 4.817 4.340 0.004 0.000 0.278 201 L C -0.381 176.691 176.870 0.336 0.000 0.996 201 L CA -1.026 53.966 54.840 0.254 0.000 0.825 201 L CB 1.112 43.133 42.059 -0.063 0.000 1.243 201 L HN 0.250 nan 8.230 nan 0.000 0.412 202 I N 4.454 125.237 120.570 0.355 0.000 2.337 202 I HA 0.193 4.365 4.170 0.004 0.000 0.291 202 I C 0.071 176.401 176.117 0.355 0.000 1.046 202 I CA -0.383 61.099 61.300 0.304 0.000 1.324 202 I CB 0.836 38.982 38.000 0.242 0.000 1.409 202 I HN 0.347 nan 8.210 nan 0.000 0.494 203 I N 6.666 127.431 120.570 0.324 0.000 2.474 203 I HA 0.280 4.453 4.170 0.004 0.000 0.287 203 I C 0.142 176.387 176.117 0.214 0.000 1.048 203 I CA -0.126 61.359 61.300 0.308 0.000 1.383 203 I CB 0.813 38.987 38.000 0.290 0.000 1.412 203 I HN 0.662 nan 8.210 nan 0.000 0.531 204 Q N 4.896 124.797 119.800 0.169 0.000 2.456 204 Q HA 0.493 4.835 4.340 0.004 0.000 0.283 204 Q C -0.820 175.175 176.000 -0.009 0.000 1.084 204 Q CA -0.944 54.937 55.803 0.130 0.000 0.801 204 Q CB 2.784 31.667 28.738 0.242 0.000 1.434 204 Q HN 0.417 nan 8.270 nan 0.000 0.419 205 R N 1.020 121.457 120.500 -0.104 0.000 2.298 205 R HA 0.124 4.466 4.340 0.004 0.000 0.310 205 R C -0.865 175.358 176.300 -0.128 0.000 1.068 205 R CA -0.324 55.565 56.100 -0.352 0.000 0.957 205 R CB 0.467 30.251 30.300 -0.861 0.000 1.003 205 R HN 0.548 nan 8.270 nan 0.000 0.454 206 Y N 5.002 125.234 120.300 -0.114 0.000 2.568 206 Y HA 0.139 4.691 4.550 0.004 0.000 0.338 206 Y C -0.151 175.703 175.900 -0.076 0.000 1.245 206 Y CA -0.490 57.523 58.100 -0.145 0.000 1.667 206 Y CB -0.284 38.058 38.460 -0.196 0.000 1.568 206 Y HN 0.326 nan 8.280 nan 0.000 0.471 207 V N 0.835 120.528 119.914 -0.368 0.000 3.164 207 V HA 0.480 4.602 4.120 0.004 0.000 0.313 207 V C -0.065 175.772 176.094 -0.429 0.000 1.188 207 V CA -1.611 60.447 62.300 -0.403 0.000 1.058 207 V CB 1.540 33.102 31.823 -0.435 0.000 1.110 207 V HN 0.423 nan 8.190 nan 0.000 0.453 208 E N 0.976 120.976 120.200 -0.334 0.000 2.752 208 E HA 0.274 4.626 4.350 0.004 0.000 0.241 208 E C 0.950 177.408 176.600 -0.238 0.000 1.016 208 E CA 1.158 57.414 56.400 -0.240 0.000 0.952 208 E CB -0.445 29.163 29.700 -0.154 0.000 0.921 208 E HN 1.895 nan 8.360 nan 0.000 0.515 209 G N 4.553 113.180 108.800 -0.288 0.000 2.298 209 G HA2 -0.323 3.639 3.960 0.004 0.000 0.287 209 G HA3 -0.323 3.639 3.960 0.004 0.000 0.287 209 G C 0.186 174.771 174.900 -0.524 0.000 1.075 209 G CA 0.516 45.305 45.100 -0.519 0.000 0.960 209 G HN 0.843 nan 8.290 nan 0.000 0.502 210 Y N -2.291 117.642 120.300 -0.611 0.000 2.315 210 Y HA 0.011 4.563 4.550 0.004 0.000 0.288 210 Y C 2.313 178.061 175.900 -0.254 0.000 1.154 210 Y CA 1.370 59.223 58.100 -0.413 0.000 1.229 210 Y CB -0.766 37.436 38.460 -0.429 0.000 0.980 210 Y HN 0.304 nan 8.280 nan 0.000 0.540 211 F N 1.049 120.590 119.950 -0.682 0.000 2.176 211 F HA -0.236 4.294 4.527 0.004 0.000 0.301 211 F C 1.618 177.362 175.800 -0.093 0.000 1.071 211 F CA 1.203 58.971 58.000 -0.386 0.000 1.289 211 F CB -0.533 38.120 39.000 -0.578 0.000 1.028 211 F HN 0.105 nan 8.300 nan 0.000 0.494 212 L N -0.424 120.849 121.223 0.083 0.000 2.728 212 L HA 0.119 4.461 4.340 0.004 0.000 0.235 212 L C 0.019 176.851 176.870 -0.064 0.000 1.197 212 L CA 0.124 55.014 54.840 0.083 0.000 0.992 212 L CB -0.401 41.729 42.059 0.119 0.000 1.263 212 L HN 0.243 nan 8.230 nan 0.000 0.484 213 H N 1.103 120.244 119.070 0.120 0.000 2.471 213 H HA 0.268 4.826 4.556 0.004 0.000 0.234 213 H C -2.365 173.045 175.328 0.136 0.000 1.388 213 H CA -1.514 54.608 56.048 0.123 0.000 1.198 213 H CB 0.715 30.466 29.762 -0.018 0.000 1.714 213 H HN 0.082 nan 8.280 nan 0.000 0.536 214 P HA -0.003 nan 4.420 nan 0.000 0.271 214 P C 1.211 178.685 177.300 0.290 0.000 1.218 214 P CA 0.015 63.287 63.100 0.286 0.000 0.780 214 P CB 1.448 33.356 31.700 0.347 0.000 0.901 215 T N -2.198 112.437 114.554 0.136 0.000 3.057 215 T HA 0.254 4.606 4.350 0.004 0.000 0.254 215 T C 1.312 175.773 174.700 -0.399 0.000 1.094 215 T CA 0.845 62.939 62.100 -0.009 0.000 1.088 215 T CB -0.682 68.188 68.868 0.003 0.000 0.934 215 T HN 0.644 nan 8.240 nan 0.000 0.497 216 G N 0.675 109.125 108.800 -0.584 0.000 2.179 216 G HA2 -0.134 3.829 3.960 0.004 0.000 0.220 216 G HA3 -0.134 3.829 3.960 0.004 0.000 0.220 216 G C -0.305 174.513 174.900 -0.135 0.000 0.990 216 G CA -0.043 44.320 45.100 -1.229 0.000 0.646 216 G HN 0.717 nan 8.290 nan 0.000 0.517 217 L N 1.415 122.775 121.223 0.229 0.000 2.309 217 L HA 0.855 5.197 4.340 0.004 0.000 0.282 217 L C -0.242 176.885 176.870 0.427 0.000 1.036 217 L CA -0.726 54.384 54.840 0.450 0.000 0.806 217 L CB 1.259 43.609 42.059 0.484 0.000 1.220 217 L HN 0.234 nan 8.230 nan 0.000 0.429 218 E N 5.377 125.890 120.200 0.522 0.000 2.292 218 E HA 0.570 4.922 4.350 0.004 0.000 0.272 218 E C -1.566 175.424 176.600 0.650 0.000 0.881 218 E CA -0.653 56.048 56.400 0.502 0.000 0.754 218 E CB 2.380 32.267 29.700 0.311 0.000 1.201 218 E HN 0.487 nan 8.360 nan 0.000 0.425 219 L N 2.702 124.227 121.223 0.504 0.000 2.386 219 L HA 0.480 4.822 4.340 0.004 0.000 0.271 219 L C -1.089 175.686 176.870 -0.158 0.000 0.993 219 L CA -1.107 53.862 54.840 0.215 0.000 0.819 219 L CB 1.545 43.652 42.059 0.080 0.000 1.294 219 L HN 0.310 nan 8.230 nan 0.000 0.414 220 L N 4.154 124.962 121.223 -0.690 0.000 2.265 220 L HA 0.586 4.928 4.340 0.004 0.000 0.289 220 L C -0.760 175.826 176.870 -0.473 0.000 1.033 220 L CA -0.130 54.111 54.840 -0.999 0.000 0.814 220 L CB 1.520 42.620 42.059 -1.598 0.000 1.203 220 L HN 0.297 nan 8.230 nan 0.000 0.423 221 V N 4.465 124.171 119.914 -0.347 0.000 2.448 221 V HA 0.337 4.459 4.120 0.004 0.000 0.295 221 V C -0.561 175.439 176.094 -0.158 0.000 1.025 221 V CA -0.762 61.408 62.300 -0.218 0.000 0.859 221 V CB 1.610 33.289 31.823 -0.241 0.000 0.988 221 V HN 0.695 nan 8.190 nan 0.000 0.431 222 D N 3.694 124.007 120.400 -0.145 0.000 2.339 222 D HA 0.181 4.823 4.640 0.004 0.000 0.241 222 D C 0.424 176.553 176.300 -0.285 0.000 1.183 222 D CA -0.137 53.757 54.000 -0.177 0.000 0.859 222 D CB 0.519 41.249 40.800 -0.115 0.000 1.067 222 D HN 0.846 nan 8.370 nan 0.000 0.484 223 H N 0.862 119.527 119.070 -0.675 0.000 2.505 223 H HA 0.467 5.025 4.556 0.004 0.000 0.260 223 H C 1.218 176.044 175.328 -0.837 0.000 1.168 223 H CA -0.746 54.393 56.048 -1.515 0.000 0.945 223 H CB 0.753 29.268 29.762 -2.078 0.000 1.800 223 H HN 0.316 nan 8.280 nan 0.000 0.586 224 G N 0.204 108.751 108.800 -0.422 0.000 2.408 224 G HA2 -0.183 3.779 3.960 0.004 0.000 0.215 224 G HA3 -0.183 3.779 3.960 0.004 0.000 0.215 224 G C 0.805 175.808 174.900 0.171 0.000 1.156 224 G CA 0.304 45.315 45.100 -0.148 0.000 0.793 224 G HN 0.468 nan 8.290 nan 0.000 0.535 225 S N 0.275 116.164 115.700 0.315 0.000 2.563 225 S HA 0.181 4.653 4.470 0.004 0.000 0.284 225 S C 1.963 176.875 174.600 0.520 0.000 1.331 225 S CA 0.683 59.136 58.200 0.421 0.000 1.047 225 S CB 0.847 64.351 63.200 0.507 0.000 0.859 225 S HN 0.462 nan 8.310 nan 0.000 0.514 226 T N 0.487 115.234 114.554 0.322 0.000 3.118 226 T HA 0.051 4.403 4.350 0.004 0.000 0.260 226 T C 0.301 175.059 174.700 0.096 0.000 1.139 226 T CA 0.343 62.605 62.100 0.271 0.000 1.085 226 T CB -0.172 68.763 68.868 0.112 0.000 0.934 226 T HN 0.544 nan 8.240 nan 0.000 0.518 227 D N 1.019 121.413 120.400 -0.009 0.000 2.412 227 D HA 0.562 5.204 4.640 0.004 0.000 0.224 227 D C 1.082 177.094 176.300 -0.479 0.000 1.093 227 D CA -0.410 53.418 54.000 -0.286 0.000 0.850 227 D CB 1.283 41.772 40.800 -0.517 0.000 1.046 227 D HN 0.146 nan 8.370 nan 0.000 0.507 228 A N 3.159 125.531 122.820 -0.746 0.000 2.125 228 A HA 0.018 4.340 4.320 0.004 0.000 0.219 228 A C 1.990 179.112 177.584 -0.771 0.000 1.156 228 A CA 1.349 52.488 52.037 -1.497 0.000 0.671 228 A CB -0.438 17.698 19.000 -1.440 0.000 0.794 228 A HN 0.625 nan 8.150 nan 0.000 0.459 229 G N -1.179 107.341 108.800 -0.466 0.000 2.470 229 G HA2 -0.198 3.764 3.960 0.004 0.000 0.220 229 G HA3 -0.198 3.764 3.960 0.004 0.000 0.220 229 G C 1.203 176.080 174.900 -0.038 0.000 1.121 229 G CA 1.080 46.045 45.100 -0.224 0.000 0.766 229 G HN 0.839 nan 8.290 nan 0.000 0.553 230 H N -2.213 116.858 119.070 0.002 0.000 2.551 230 H HA 0.091 4.649 4.556 0.004 0.000 0.266 230 H C 0.372 175.862 175.328 0.270 0.000 0.964 230 H CA -0.836 55.286 56.048 0.123 0.000 1.180 230 H CB 0.279 30.124 29.762 0.139 0.000 1.408 230 H HN 0.240 nan 8.280 nan 0.000 0.563 231 W N 1.772 123.146 121.300 0.123 0.000 2.210 231 W HA 0.399 5.061 4.660 0.004 0.000 0.330 231 W C 0.152 176.695 176.519 0.041 0.000 1.334 231 W CA -0.928 56.465 57.345 0.080 0.000 1.227 231 W CB -0.068 29.434 29.460 0.071 0.000 1.178 231 W HN -0.012 nan 8.180 nan 0.000 0.560 232 A N 2.411 125.353 122.820 0.204 0.000 2.422 232 A HA 0.621 4.943 4.320 0.004 0.000 0.302 232 A C -1.284 176.306 177.584 0.009 0.000 1.041 232 A CA -0.832 51.259 52.037 0.090 0.000 0.708 232 A CB 1.183 20.221 19.000 0.063 0.000 1.257 232 A HN 0.269 nan 8.150 nan 0.000 0.414 233 V N 3.010 122.916 119.914 -0.013 0.000 2.403 233 V HA 0.045 4.167 4.120 0.004 0.000 0.265 233 V C 1.274 177.338 176.094 -0.050 0.000 1.034 233 V CA 1.146 63.410 62.300 -0.059 0.000 1.036 233 V CB -0.053 31.745 31.823 -0.041 0.000 1.032 233 V HN 1.082 nan 8.190 nan 0.000 0.478 234 E N 3.543 123.687 120.200 -0.094 0.000 2.447 234 E HA 0.172 4.524 4.350 0.004 0.000 0.195 234 E C 0.601 177.181 176.600 -0.034 0.000 1.028 234 E CA -0.161 56.200 56.400 -0.066 0.000 0.876 234 E CB 0.641 30.289 29.700 -0.087 0.000 0.885 234 E HN 0.608 nan 8.360 nan 0.000 0.500 235 Q N 0.148 119.920 119.800 -0.047 0.000 2.522 235 Q HA 0.430 4.772 4.340 0.004 0.000 0.285 235 Q C -2.192 173.923 176.000 0.193 0.000 0.982 235 Q CA -0.770 55.097 55.803 0.106 0.000 0.805 235 Q CB 2.525 31.351 28.738 0.147 0.000 1.457 235 Q HN 0.054 nan 8.270 nan 0.000 0.394 236 V N 2.132 122.300 119.914 0.423 0.000 2.686 236 V HA 0.633 4.755 4.120 0.004 0.000 0.306 236 V C -1.490 174.976 176.094 0.619 0.000 1.065 236 V CA -0.641 61.935 62.300 0.461 0.000 0.894 236 V CB 1.756 33.752 31.823 0.289 0.000 1.004 236 V HN 0.845 nan 8.190 nan 0.000 0.424 237 W N 5.909 127.426 121.300 0.362 0.000 2.656 237 W HA 0.737 5.399 4.660 0.004 0.000 0.327 237 W C -1.784 174.835 176.519 0.167 0.000 1.041 237 W CA -0.729 56.641 57.345 0.041 0.000 1.229 237 W CB 1.613 30.852 29.460 -0.367 0.000 1.397 237 W HN 0.610 nan 8.180 nan 0.000 0.479 238 Y N 7.042 127.071 120.300 -0.452 0.000 2.396 238 Y HA 0.229 4.781 4.550 0.004 0.000 0.332 238 Y C 0.291 175.663 175.900 -0.880 0.000 1.034 238 Y CA -1.307 56.507 58.100 -0.477 0.000 1.057 238 Y CB 1.078 39.410 38.460 -0.214 0.000 1.220 238 Y HN 0.634 nan 8.280 nan 0.000 0.440 239 N N 4.104 121.782 118.700 -1.704 0.000 2.702 239 N HA -0.205 4.538 4.740 0.004 0.000 0.255 239 N C 0.691 175.708 175.510 -0.821 0.000 0.983 239 N CA 2.244 54.627 53.050 -1.113 0.000 0.768 239 N CB -1.075 36.788 38.487 -1.040 0.000 0.918 239 N HN 1.611 nan 8.380 nan 0.000 0.540 240 G N -1.615 106.396 108.800 -1.316 0.000 2.179 240 G HA2 -0.260 3.702 3.960 0.004 0.000 0.220 240 G HA3 -0.260 3.702 3.960 0.004 0.000 0.220 240 G C -0.112 174.505 174.900 -0.471 0.000 0.990 240 G CA 0.432 45.241 45.100 -0.485 0.000 0.646 240 G HN 0.623 nan 8.290 nan 0.000 0.517 241 K N -0.581 119.350 120.400 -0.781 0.000 2.426 241 K HA 0.684 5.006 4.320 0.004 0.000 0.251 241 K C -0.979 175.233 176.600 -0.646 0.000 0.941 241 K CA -0.903 55.074 56.287 -0.516 0.000 0.808 241 K CB 1.648 33.888 32.500 -0.433 0.000 1.265 241 K HN -0.008 nan 8.250 nan 0.000 0.432 242 F N 0.748 120.533 119.950 -0.276 0.000 2.377 242 F HA 0.266 4.795 4.527 0.004 0.000 0.328 242 F C 0.709 176.302 175.800 -0.346 0.000 1.094 242 F CA 0.112 58.076 58.000 -0.060 0.000 1.093 242 F CB 0.681 39.743 39.000 0.104 0.000 1.214 242 F HN 0.560 nan 8.300 nan 0.000 0.518 243 Y N -0.277 120.189 120.300 0.277 0.000 2.666 243 Y HA 0.271 4.823 4.550 0.004 0.000 0.260 243 Y C 1.477 177.449 175.900 0.121 0.000 1.089 243 Y CA 0.257 58.440 58.100 0.138 0.000 1.246 243 Y CB 0.956 39.445 38.460 0.049 0.000 1.353 243 Y HN 0.787 nan 8.280 nan 0.000 0.558 244 G N 0.993 109.960 108.800 0.278 0.000 3.444 244 G HA2 -0.340 3.622 3.960 0.004 0.000 0.222 244 G HA3 -0.340 3.622 3.960 0.004 0.000 0.222 244 G C 0.401 175.380 174.900 0.132 0.000 1.358 244 G CA 0.552 45.754 45.100 0.171 0.000 0.880 244 G HN 0.735 nan 8.290 nan 0.000 0.555 245 S N -0.315 115.458 115.700 0.123 0.000 2.607 245 S HA 0.748 5.220 4.470 0.004 0.000 0.273 245 S C -2.091 172.523 174.600 0.024 0.000 1.148 245 S CA -0.309 57.929 58.200 0.064 0.000 0.833 245 S CB 2.413 65.634 63.200 0.036 0.000 1.130 245 S HN 0.054 nan 8.310 nan 0.000 0.470 246 P HA -0.038 nan 4.420 nan 0.000 0.216 246 P C 0.878 178.105 177.300 -0.122 0.000 1.150 246 P CA 1.324 64.372 63.100 -0.087 0.000 0.837 246 P CB 0.013 31.677 31.700 -0.059 0.000 0.786 247 E N -0.379 119.782 120.200 -0.064 0.000 2.110 247 E HA -0.197 4.155 4.350 0.004 0.000 0.193 247 E C 2.038 178.603 176.600 -0.059 0.000 0.988 247 E CA 1.066 57.432 56.400 -0.057 0.000 0.804 247 E CB -0.693 28.993 29.700 -0.023 0.000 0.745 247 E HN 0.420 nan 8.360 nan 0.000 0.458 248 E N 0.078 120.261 120.200 -0.029 0.000 2.072 248 E HA -0.174 4.178 4.350 0.004 0.000 0.191 248 E C 1.916 178.481 176.600 -0.058 0.000 0.985 248 E CA 0.620 57.025 56.400 0.008 0.000 0.801 248 E CB -0.010 29.746 29.700 0.092 0.000 0.750 248 E HN 0.175 nan 8.360 nan 0.000 0.452 249 L N 0.851 121.944 121.223 -0.217 0.000 2.093 249 L HA -0.044 4.298 4.340 0.004 0.000 0.208 249 L C 2.210 178.801 176.870 -0.464 0.000 1.085 249 L CA 2.098 56.585 54.840 -0.589 0.000 0.755 249 L CB -0.721 40.825 42.059 -0.855 0.000 0.904 249 L HN 0.154 nan 8.230 nan 0.000 0.435 250 A N -0.204 122.415 122.820 -0.334 0.000 1.902 250 A HA -0.184 4.138 4.320 0.004 0.000 0.217 250 A C 2.647 180.197 177.584 -0.056 0.000 1.181 250 A CA 2.455 54.375 52.037 -0.195 0.000 0.623 250 A CB -0.891 18.020 19.000 -0.148 0.000 0.818 250 A HN 0.475 nan 8.150 nan 0.000 0.443 251 R N 0.249 120.714 120.500 -0.060 0.000 2.062 251 R HA -0.080 4.262 4.340 0.004 0.000 0.231 251 R C 2.205 178.497 176.300 -0.013 0.000 1.136 251 R CA 1.944 58.030 56.100 -0.023 0.000 0.948 251 R CB -1.178 29.116 30.300 -0.010 0.000 0.845 251 R HN 0.680 nan 8.270 nan 0.000 0.430 252 K N -0.956 119.438 120.400 -0.009 0.000 2.147 252 K HA -0.128 4.194 4.320 0.004 0.000 0.205 252 K C 2.118 178.738 176.600 0.033 0.000 1.049 252 K CA 1.490 57.793 56.287 0.028 0.000 0.936 252 K CB -0.310 32.245 32.500 0.093 0.000 0.722 252 K HN 0.549 nan 8.250 nan 0.000 0.446 253 Y N 1.656 121.874 120.300 -0.137 0.000 2.114 253 Y HA -0.217 4.335 4.550 0.004 0.000 0.284 253 Y C 2.249 178.133 175.900 -0.028 0.000 1.143 253 Y CA 1.257 59.303 58.100 -0.089 0.000 1.135 253 Y CB -0.638 37.734 38.460 -0.146 0.000 0.980 253 Y HN 0.019 nan 8.280 nan 0.000 0.499 254 A N 0.251 122.968 122.820 -0.170 0.000 1.892 254 A HA -0.224 4.098 4.320 0.004 0.000 0.218 254 A C 1.613 179.091 177.584 -0.178 0.000 1.188 254 A CA 2.101 54.005 52.037 -0.222 0.000 0.631 254 A CB -0.960 17.994 19.000 -0.076 0.000 0.822 254 A HN 0.546 nan 8.150 nan 0.000 0.447 255 D N -0.650 119.692 120.400 -0.097 0.000 2.332 255 D HA 0.290 4.933 4.640 0.004 0.000 0.244 255 D C 1.289 177.555 176.300 -0.057 0.000 1.136 255 D CA 0.991 54.956 54.000 -0.059 0.000 0.884 255 D CB -0.623 40.165 40.800 -0.020 0.000 0.906 255 D HN 0.620 nan 8.370 nan 0.000 0.520 256 G N 1.138 109.875 108.800 -0.106 0.000 2.225 256 G HA2 -0.371 3.591 3.960 0.004 0.000 0.267 256 G HA3 -0.371 3.591 3.960 0.004 0.000 0.267 256 G C 0.684 175.588 174.900 0.007 0.000 1.024 256 G CA 0.206 45.264 45.100 -0.070 0.000 0.784 256 G HN 0.443 nan 8.290 nan 0.000 0.507 257 E N -1.165 119.056 120.200 0.035 0.000 2.463 257 E HA 0.294 4.646 4.350 0.004 0.000 0.193 257 E C 0.355 177.034 176.600 0.132 0.000 1.041 257 E CA -0.037 56.409 56.400 0.077 0.000 0.879 257 E CB 0.911 30.657 29.700 0.076 0.000 0.997 257 E HN 0.346 nan 8.360 nan 0.000 0.478 258 V N 1.427 121.440 119.914 0.164 0.000 2.448 258 V HA 0.244 4.366 4.120 0.004 0.000 0.295 258 V C -0.044 176.196 176.094 0.244 0.000 1.025 258 V CA -0.567 61.872 62.300 0.233 0.000 0.859 258 V CB 1.231 33.199 31.823 0.240 0.000 0.988 258 V HN 0.193 nan 8.190 nan 0.000 0.431 259 D N 4.110 124.644 120.400 0.223 0.000 2.383 259 D HA 0.448 5.090 4.640 0.004 0.000 0.245 259 D C 0.124 176.591 176.300 0.278 0.000 1.263 259 D CA 0.160 54.281 54.000 0.201 0.000 0.936 259 D CB 0.983 41.866 40.800 0.137 0.000 1.053 259 D HN 0.738 nan 8.370 nan 0.000 0.507 260 V N -0.394 119.707 119.914 0.311 0.000 2.837 260 V HA 0.771 4.893 4.120 0.004 0.000 0.310 260 V C 0.163 176.424 176.094 0.278 0.000 1.059 260 V CA -0.666 61.867 62.300 0.388 0.000 1.004 260 V CB 1.839 33.858 31.823 0.327 0.000 1.045 260 V HN 0.388 nan 8.190 nan 0.000 0.465 261 V N 4.191 124.279 119.914 0.291 0.000 2.334 261 V HA 0.344 4.466 4.120 0.004 0.000 0.281 261 V C 0.023 176.186 176.094 0.115 0.000 1.016 261 V CA -0.510 61.926 62.300 0.227 0.000 0.832 261 V CB 1.351 33.382 31.823 0.347 0.000 0.999 261 V HN 0.789 nan 8.190 nan 0.000 0.439 262 V N 6.853 126.825 119.914 0.096 0.000 2.405 262 V HA 0.265 4.387 4.120 0.004 0.000 0.264 262 V C 0.346 176.472 176.094 0.053 0.000 1.048 262 V CA -0.247 62.079 62.300 0.043 0.000 0.966 262 V CB 0.682 32.541 31.823 0.061 0.000 1.015 262 V HN 0.615 nan 8.190 nan 0.000 0.477 263 L N 3.749 124.969 121.223 -0.005 0.000 2.426 263 L HA 0.428 4.770 4.340 0.004 0.000 0.271 263 L C 1.039 177.970 176.870 0.102 0.000 1.169 263 L CA 0.027 54.884 54.840 0.028 0.000 0.836 263 L CB 0.164 42.207 42.059 -0.027 0.000 1.112 263 L HN 0.817 nan 8.230 nan 0.000 0.465 264 E N 1.666 121.969 120.200 0.170 0.000 2.409 264 E HA 0.007 4.359 4.350 0.004 0.000 0.257 264 E C -0.382 176.299 176.600 0.135 0.000 1.150 264 E CA -0.550 55.938 56.400 0.147 0.000 0.942 264 E CB 0.428 30.225 29.700 0.161 0.000 0.979 264 E HN 0.698 nan 8.360 nan 0.000 0.447 265 D N 0.885 121.360 120.400 0.124 0.000 2.371 265 D HA 0.135 4.777 4.640 0.004 0.000 0.256 265 D C -1.207 175.175 176.300 0.136 0.000 1.193 265 D CA -1.518 52.565 54.000 0.138 0.000 0.881 265 D CB 1.392 42.258 40.800 0.109 0.000 1.143 265 D HN 0.215 nan 8.370 nan 0.000 0.473 266 P HA 0.081 nan 4.420 nan 0.000 0.226 266 P C 0.321 177.669 177.300 0.081 0.000 1.161 266 P CA 0.347 63.508 63.100 0.103 0.000 0.804 266 P CB 0.554 32.262 31.700 0.013 0.000 0.829 279 P HA 0.594 nan 4.420 nan 0.000 0.274 279 P C -2.558 174.754 177.300 0.019 0.000 1.231 279 P CA -0.963 62.147 63.100 0.017 0.000 0.790 279 P CB 0.239 31.956 31.700 0.029 0.000 0.951 280 P HA 0.059 nan 4.420 nan 0.000 0.268 280 P C -0.360 176.956 177.300 0.027 0.000 1.208 280 P CA -0.459 62.646 63.100 0.009 0.000 0.777 280 P CB 0.204 31.905 31.700 0.003 0.000 0.875 281 L N 2.929 124.150 121.223 -0.004 0.000 2.485 281 L HA 0.041 4.383 4.340 0.004 0.000 0.275 281 L C 1.342 178.185 176.870 -0.045 0.000 1.207 281 L CA 0.115 54.938 54.840 -0.029 0.000 0.855 281 L CB -0.672 41.317 42.059 -0.117 0.000 1.114 281 L HN 0.449 nan 8.230 nan 0.000 0.485 282 F N 0.460 120.412 119.950 0.004 0.000 2.250 282 F HA -0.151 4.378 4.527 0.003 0.000 0.301 282 F C 1.872 177.657 175.800 -0.025 0.000 1.077 282 F CA 1.103 59.080 58.000 -0.038 0.000 1.348 282 F CB -1.154 37.743 39.000 -0.172 0.000 1.040 282 F HN 0.540 nan 8.300 nan 0.000 0.509 283 S N -1.069 114.221 115.700 -0.684 0.000 2.593 283 S HA 0.145 4.617 4.470 0.004 0.000 0.217 283 S C 0.806 175.403 174.600 -0.005 0.000 0.966 283 S CA -0.089 57.923 58.200 -0.314 0.000 0.914 283 S CB -0.707 62.219 63.200 -0.455 0.000 0.776 283 S HN 0.392 nan 8.310 nan 0.000 0.523 284 S N 0.355 116.031 115.700 -0.039 0.000 2.610 284 S HA 0.352 4.825 4.470 0.004 0.000 0.273 284 S C 0.480 175.107 174.600 0.046 0.000 1.274 284 S CA -0.416 57.813 58.200 0.048 0.000 1.023 284 S CB 0.467 63.670 63.200 0.005 0.000 0.962 284 S HN 0.474 nan 8.310 nan 0.000 0.523 285 H N 1.548 120.604 119.070 -0.024 0.000 2.548 285 H HA 0.284 4.842 4.556 0.004 0.000 0.265 285 H C 0.275 175.570 175.328 -0.056 0.000 0.969 285 H CA 0.316 56.333 56.048 -0.053 0.000 1.155 285 H CB 0.086 29.807 29.762 -0.068 0.000 1.394 285 H HN 0.455 nan 8.280 nan 0.000 0.570 286 K N 2.001 122.434 120.400 0.055 0.000 2.489 286 K HA 0.022 4.345 4.320 0.004 0.000 0.278 286 K C -2.367 174.220 176.600 -0.022 0.000 1.000 286 K CA -1.300 54.989 56.287 0.003 0.000 1.012 286 K CB 0.152 32.647 32.500 -0.009 0.000 0.903 286 K HN 0.086 nan 8.250 nan 0.000 0.485 287 P HA 0.013 nan 4.420 nan 0.000 0.269 287 P C -0.864 176.394 177.300 -0.070 0.000 1.215 287 P CA 0.061 63.115 63.100 -0.076 0.000 0.780 287 P CB 0.647 32.288 31.700 -0.097 0.000 0.898 288 R N 0.540 120.988 120.500 -0.087 0.000 2.716 288 R HA 0.694 5.036 4.340 0.004 0.000 0.271 288 R C -0.383 175.857 176.300 -0.100 0.000 1.028 288 R CA -0.342 55.715 56.100 -0.072 0.000 0.883 288 R CB 0.404 30.684 30.300 -0.034 0.000 1.250 288 R HN 0.731 nan 8.270 nan 0.000 0.465 289 G N 0.774 109.526 108.800 -0.080 0.000 2.814 289 G HA2 -0.122 3.840 3.960 0.004 0.000 0.677 289 G HA3 -0.122 3.840 3.960 0.004 0.000 0.677 289 G C -1.548 173.271 174.900 -0.135 0.000 1.429 289 G CA -0.130 44.916 45.100 -0.089 0.000 0.868 289 G HN 0.751 nan 8.290 nan 0.000 0.553 290 D N -0.380 119.958 120.400 -0.103 0.000 2.780 290 D HA 0.493 5.135 4.640 0.004 0.000 0.242 290 D C -0.249 176.039 176.300 -0.021 0.000 1.135 290 D CA -0.434 53.506 54.000 -0.100 0.000 0.859 290 D CB 1.282 42.075 40.800 -0.011 0.000 1.530 290 D HN 0.145 nan 8.370 nan 0.000 0.493 291 F N 2.189 122.149 119.950 0.016 0.000 2.529 291 F HA 0.133 4.663 4.527 0.004 0.000 0.365 291 F C -0.660 175.139 175.800 -0.001 0.000 1.102 291 F CA -1.830 56.173 58.000 0.005 0.000 1.271 291 F CB 0.073 39.076 39.000 0.004 0.000 1.120 291 F HN 0.196 nan 8.300 nan 0.000 0.579 292 P HA -0.094 nan 4.420 nan 0.000 0.226 292 P C 0.181 177.515 177.300 0.056 0.000 1.153 292 P CA 0.774 63.929 63.100 0.092 0.000 0.777 292 P CB 0.390 32.125 31.700 0.059 0.000 0.794 293 S N 0.636 116.369 115.700 0.056 0.000 2.622 293 S HA 0.488 4.960 4.470 0.004 0.000 0.283 293 S C -2.653 171.961 174.600 0.025 0.000 1.197 293 S CA -1.707 56.494 58.200 0.002 0.000 1.146 293 S CB 0.041 63.212 63.200 -0.048 0.000 1.007 293 S HN -0.178 nan 8.310 nan 0.000 0.478 294 P HA 0.210 nan 4.420 nan 0.000 0.265 294 P C -0.905 176.368 177.300 -0.045 0.000 1.193 294 P CA 0.062 63.139 63.100 -0.038 0.000 0.765 294 P CB 0.286 31.785 31.700 -0.335 0.000 0.823 295 I N 3.505 124.157 120.570 0.137 0.000 2.405 295 I HA 0.162 4.334 4.170 0.004 0.000 0.280 295 I C 0.630 176.923 176.117 0.293 0.000 1.027 295 I CA -0.426 60.959 61.300 0.141 0.000 1.161 295 I CB 1.072 39.174 38.000 0.169 0.000 1.300 295 I HN 0.453 nan 8.210 nan 0.000 0.463 296 H N 4.137 123.228 119.070 0.034 0.000 2.729 296 H HA 0.177 4.735 4.556 0.004 0.000 0.263 296 H C 0.449 175.781 175.328 0.006 0.000 0.961 296 H CA 0.214 56.272 56.048 0.017 0.000 1.217 296 H CB 0.413 30.181 29.762 0.010 0.000 1.447 296 H HN 0.386 nan 8.280 nan 0.000 0.496 297 V N -0.251 119.739 119.914 0.126 0.000 2.966 297 V HA 0.562 4.684 4.120 0.004 0.000 0.317 297 V C 0.646 176.763 176.094 0.040 0.000 1.070 297 V CA -1.005 61.333 62.300 0.063 0.000 1.008 297 V CB 1.735 33.583 31.823 0.043 0.000 1.070 297 V HN 0.278 nan 8.190 nan 0.000 0.457 298 S N 1.528 117.239 115.700 0.018 0.000 2.585 298 S HA 0.580 5.052 4.470 0.004 0.000 0.273 298 S C 0.548 175.152 174.600 0.006 0.000 1.339 298 S CA -0.039 58.164 58.200 0.005 0.000 1.028 298 S CB 0.677 63.873 63.200 -0.007 0.000 0.906 298 S HN 1.677 nan 8.310 nan 0.000 0.528 299 G N 0.980 109.780 108.800 0.001 0.000 2.621 299 G HA2 0.522 4.484 3.960 0.004 0.000 0.271 299 G HA3 0.522 4.484 3.960 0.004 0.000 0.271 299 G C -2.514 172.383 174.900 -0.004 0.000 1.236 299 G CA -1.455 43.644 45.100 -0.002 0.000 0.958 299 G HN 0.638 nan 8.290 nan 0.000 0.512 300 P HA 0.317 nan 4.420 nan 0.000 0.269 300 P C -0.315 176.983 177.300 -0.003 0.000 1.215 300 P CA -0.039 63.060 63.100 -0.002 0.000 0.780 300 P CB 0.558 32.257 31.700 -0.001 0.000 0.898 301 R N 0.696 121.197 120.500 0.001 0.000 2.774 301 R HA 0.633 4.976 4.340 0.004 0.000 0.272 301 R C -1.357 174.948 176.300 0.008 0.000 1.000 301 R CA -1.130 54.970 56.100 0.000 0.000 0.906 301 R CB 0.361 30.661 30.300 0.000 0.000 1.227 301 R HN 0.046 nan 8.270 nan 0.000 0.468 302 L N 2.022 123.250 121.223 0.008 0.000 2.416 302 L HA 0.289 4.632 4.340 0.004 0.000 0.272 302 L C 0.000 176.882 176.870 0.020 0.000 1.161 302 L CA 0.058 54.910 54.840 0.021 0.000 0.845 302 L CB 1.463 43.538 42.059 0.025 0.000 1.119 302 L HN 0.586 nan 8.230 nan 0.000 0.464 303 V N 1.337 121.262 119.914 0.019 0.000 2.815 303 V HA 0.618 4.740 4.120 0.004 0.000 0.314 303 V C -0.385 175.711 176.094 0.003 0.000 1.064 303 V CA -0.736 61.567 62.300 0.006 0.000 0.952 303 V CB 1.714 33.530 31.823 -0.011 0.000 1.020 303 V HN 0.800 nan 8.190 nan 0.000 0.439 304 Q N 3.010 122.804 119.800 -0.010 0.000 2.928 304 Q HA 0.375 4.717 4.340 0.004 0.000 0.353 304 Q C -1.897 174.055 176.000 -0.081 0.000 0.870 304 Q CA -1.585 54.209 55.803 -0.015 0.000 0.963 304 Q CB 1.699 30.457 28.738 0.033 0.000 1.419 304 Q HN 0.784 nan 8.270 nan 0.000 0.396 305 P HA -0.188 nan 4.420 nan 0.000 0.218 305 P C 0.391 177.525 177.300 -0.276 0.000 1.148 305 P CA 1.266 64.197 63.100 -0.282 0.000 0.822 305 P CB 0.213 31.645 31.700 -0.448 0.000 0.784 306 H N -0.875 118.207 119.070 0.021 0.000 2.539 306 H HA 0.303 4.861 4.556 0.003 0.000 0.267 306 H C 1.545 176.869 175.328 -0.006 0.000 0.982 306 H CA 0.748 56.803 56.048 0.012 0.000 1.146 306 H CB -0.370 29.405 29.762 0.021 0.000 1.382 306 H HN 0.188 nan 8.280 nan 0.000 0.577 307 G N 1.664 110.492 108.800 0.046 0.000 2.796 307 G HA2 -0.225 3.737 3.960 0.004 0.000 0.226 307 G HA3 -0.225 3.737 3.960 0.004 0.000 0.226 307 G C -2.586 172.284 174.900 -0.051 0.000 1.381 307 G CA -0.975 44.122 45.100 -0.006 0.000 0.867 307 G HN 0.141 nan 8.290 nan 0.000 0.552 308 P HA 0.269 nan 4.420 nan 0.000 0.268 308 P C 0.722 177.832 177.300 -0.316 0.000 1.204 308 P CA -0.005 62.810 63.100 -0.475 0.000 0.768 308 P CB 0.470 31.521 31.700 -1.081 0.000 0.842 309 R N 1.823 122.243 120.500 -0.133 0.000 2.300 309 R HA 0.136 4.479 4.340 0.004 0.000 0.199 309 R C 0.666 177.074 176.300 0.181 0.000 0.920 309 R CA 0.229 56.371 56.100 0.069 0.000 1.046 309 R CB -0.229 30.203 30.300 0.219 0.000 0.984 309 R HN 0.522 nan 8.270 nan 0.000 0.493 310 F N -0.004 120.063 119.950 0.195 0.000 2.378 310 F HA 0.462 4.991 4.527 0.003 0.000 0.325 310 F C -0.021 175.821 175.800 0.070 0.000 1.097 310 F CA -1.376 56.728 58.000 0.173 0.000 1.079 310 F CB 0.583 39.610 39.000 0.046 0.000 1.240 310 F HN -0.392 nan 8.300 nan 0.000 0.519 311 R N 2.769 123.399 120.500 0.216 0.000 2.272 311 R HA 0.493 4.835 4.340 0.004 0.000 0.323 311 R C -1.543 174.848 176.300 0.153 0.000 1.002 311 R CA -0.820 55.339 56.100 0.099 0.000 0.900 311 R CB 1.351 31.678 30.300 0.046 0.000 1.151 311 R HN 0.690 nan 8.270 nan 0.000 0.507 312 L N 1.885 123.232 121.223 0.206 0.000 2.272 312 L HA 0.374 4.716 4.340 0.004 0.000 0.289 312 L C -0.645 176.295 176.870 0.116 0.000 1.032 312 L CA 0.113 55.075 54.840 0.204 0.000 0.810 312 L CB 1.268 43.533 42.059 0.344 0.000 1.205 312 L HN 0.586 nan 8.230 nan 0.000 0.422 313 E N 4.199 124.442 120.200 0.072 0.000 2.302 313 E HA 0.514 4.866 4.350 0.004 0.000 0.263 313 E C 0.336 176.947 176.600 0.018 0.000 0.897 313 E CA 0.150 56.575 56.400 0.043 0.000 0.809 313 E CB 0.914 30.626 29.700 0.020 0.000 1.270 313 E HN 0.992 nan 8.360 nan 0.000 0.410 314 G N 4.622 113.440 108.800 0.030 0.000 2.596 314 G HA2 -0.389 3.573 3.960 0.004 0.000 0.304 314 G HA3 -0.389 3.573 3.960 0.004 0.000 0.304 314 G C 0.425 175.270 174.900 -0.092 0.000 1.189 314 G CA 0.545 45.640 45.100 -0.009 0.000 0.986 314 G HN 0.722 nan 8.290 nan 0.000 0.548 315 N N 1.864 120.405 118.700 -0.265 0.000 2.279 315 N HA 0.549 5.292 4.740 0.004 0.000 0.226 315 N C 0.243 175.408 175.510 -0.576 0.000 1.126 315 N CA 1.020 53.597 53.050 -0.787 0.000 0.846 315 N CB 0.438 38.471 38.487 -0.757 0.000 1.050 315 N HN 1.338 nan 8.380 nan 0.000 0.502 316 A N 0.192 122.880 122.820 -0.220 0.000 2.330 316 A HA 0.693 5.016 4.320 0.004 0.000 0.327 316 A C -0.756 176.737 177.584 -0.152 0.000 1.155 316 A CA -0.584 51.358 52.037 -0.159 0.000 0.803 316 A CB 1.565 20.512 19.000 -0.088 0.000 1.208 316 A HN 0.046 nan 8.150 nan 0.000 0.477 317 V N 3.313 123.001 119.914 -0.377 0.000 2.588 317 V HA 0.482 4.604 4.120 0.004 0.000 0.304 317 V C -0.521 175.335 176.094 -0.397 0.000 1.042 317 V CA -0.326 61.690 62.300 -0.474 0.000 0.877 317 V CB 1.527 32.727 31.823 -1.039 0.000 0.996 317 V HN 0.788 nan 8.190 nan 0.000 0.425 318 L N 4.665 125.818 121.223 -0.116 0.000 2.346 318 L HA 0.630 4.972 4.340 0.004 0.000 0.276 318 L C -1.362 175.627 176.870 0.199 0.000 1.006 318 L CA -0.753 54.093 54.840 0.011 0.000 0.817 318 L CB 1.852 43.918 42.059 0.011 0.000 1.272 318 L HN 0.715 nan 8.230 nan 0.000 0.421 319 Y N 2.624 122.987 120.300 0.105 0.000 2.325 319 Y HA 0.498 5.050 4.550 0.003 0.000 0.336 319 Y C 0.482 176.525 175.900 0.238 0.000 1.130 319 Y CA -0.077 58.142 58.100 0.199 0.000 1.264 319 Y CB 1.019 39.604 38.460 0.209 0.000 1.128 319 Y HN 0.788 nan 8.280 nan 0.000 0.469 320 G N 3.446 112.146 108.800 -0.167 0.000 2.646 320 G HA2 -0.443 3.519 3.960 0.004 0.000 0.324 320 G HA3 -0.443 3.519 3.960 0.004 0.000 0.324 320 G C 1.325 176.049 174.900 -0.293 0.000 1.195 320 G CA 0.665 45.614 45.100 -0.251 0.000 0.976 320 G HN 1.545 nan 8.290 nan 0.000 0.546 321 G N -0.433 108.035 108.800 -0.554 0.000 2.484 321 G HA2 0.201 4.163 3.960 0.004 0.000 0.218 321 G HA3 0.201 4.163 3.960 0.004 0.000 0.218 321 G C 0.667 174.978 174.900 -0.983 0.000 1.130 321 G CA 0.741 45.081 45.100 -1.266 0.000 0.784 321 G HN 0.498 nan 8.290 nan 0.000 0.543 322 W N 0.104 121.223 121.300 -0.302 0.000 2.316 322 W HA 0.625 5.287 4.660 0.003 0.000 0.321 322 W C 0.340 176.879 176.519 0.033 0.000 1.203 322 W CA -0.530 56.850 57.345 0.058 0.000 1.214 322 W CB 1.390 31.034 29.460 0.307 0.000 1.169 322 W HN -0.065 nan 8.180 nan 0.000 0.561 323 S N 3.925 119.862 115.700 0.394 0.000 2.571 323 S HA 0.796 5.268 4.470 0.004 0.000 0.284 323 S C -1.218 173.563 174.600 0.301 0.000 1.128 323 S CA -0.699 57.603 58.200 0.171 0.000 0.970 323 S CB 0.149 63.357 63.200 0.014 0.000 1.039 323 S HN 0.404 nan 8.310 nan 0.000 0.485 324 F N 1.534 121.491 119.950 0.012 0.000 2.713 324 F HA 0.915 5.444 4.527 0.004 0.000 0.311 324 F C -0.699 175.077 175.800 -0.039 0.000 1.141 324 F CA -1.122 56.859 58.000 -0.032 0.000 0.939 324 F CB 0.739 39.673 39.000 -0.111 0.000 1.325 324 F HN 0.683 nan 8.300 nan 0.000 0.453 325 A N 1.307 124.177 122.820 0.084 0.000 2.322 325 A HA 0.954 5.276 4.320 0.004 0.000 0.327 325 A C -1.428 176.247 177.584 0.152 0.000 1.134 325 A CA -0.670 51.360 52.037 -0.012 0.000 0.831 325 A CB 1.116 20.096 19.000 -0.032 0.000 1.288 325 A HN 1.255 nan 8.150 nan 0.000 0.472 326 F N -0.927 119.058 119.950 0.058 0.000 2.643 326 F HA 0.919 5.449 4.527 0.004 0.000 0.314 326 F C -0.415 175.423 175.800 0.064 0.000 1.096 326 F CA -1.022 57.015 58.000 0.060 0.000 0.953 326 F CB 1.504 40.588 39.000 0.140 0.000 1.345 326 F HN 0.916 nan 8.300 nan 0.000 0.468 327 R N 1.079 121.743 120.500 0.274 0.000 2.733 327 R HA 0.775 5.117 4.340 0.004 0.000 0.272 327 R C -2.574 173.864 176.300 0.229 0.000 1.029 327 R CA -1.114 55.103 56.100 0.195 0.000 0.888 327 R CB 1.831 32.198 30.300 0.111 0.000 1.251 327 R HN 0.886 nan 8.270 nan 0.000 0.464 328 L N 1.730 123.067 121.223 0.189 0.000 2.417 328 L HA 0.476 4.818 4.340 0.004 0.000 0.259 328 L C -0.543 176.406 176.870 0.132 0.000 1.023 328 L CA -0.505 54.428 54.840 0.154 0.000 0.901 328 L CB 1.183 43.349 42.059 0.179 0.000 1.227 328 L HN 0.711 nan 8.230 nan 0.000 0.454 329 R N 1.991 122.539 120.500 0.081 0.000 2.421 329 R HA 0.139 4.482 4.340 0.004 0.000 0.305 329 R C 1.021 177.338 176.300 0.028 0.000 1.039 329 R CA 0.429 56.574 56.100 0.075 0.000 1.003 329 R CB 0.824 31.159 30.300 0.057 0.000 0.959 329 R HN 0.798 nan 8.270 nan 0.000 0.427 330 S N 1.561 117.298 115.700 0.061 0.000 2.400 330 S HA -0.198 4.275 4.470 0.004 0.000 0.232 330 S C 1.756 176.273 174.600 -0.137 0.000 1.025 330 S CA 1.777 59.927 58.200 -0.083 0.000 0.993 330 S CB -0.030 63.209 63.200 0.065 0.000 0.808 330 S HN 0.852 nan 8.310 nan 0.000 0.478 331 S N 1.547 117.247 115.700 -0.001 0.000 2.362 331 S HA -0.036 4.436 4.470 0.004 0.000 0.221 331 S C 1.939 176.518 174.600 -0.035 0.000 1.032 331 S CA 1.163 59.377 58.200 0.024 0.000 0.973 331 S CB -0.427 62.837 63.200 0.108 0.000 0.849 331 S HN 0.601 nan 8.310 nan 0.000 0.465 332 S N 0.178 115.850 115.700 -0.047 0.000 2.524 332 S HA 0.606 5.078 4.470 0.004 0.000 0.222 332 S C 1.135 175.618 174.600 -0.195 0.000 1.040 332 S CA 0.292 58.437 58.200 -0.092 0.000 0.915 332 S CB 0.077 63.245 63.200 -0.054 0.000 0.831 332 S HN 1.406 nan 8.310 nan 0.000 0.492 333 G N 1.345 110.041 108.800 -0.173 0.000 2.384 333 G HA2 0.032 3.994 3.960 0.004 0.000 0.204 333 G HA3 0.032 3.994 3.960 0.004 0.000 0.204 333 G C -0.990 173.819 174.900 -0.151 0.000 1.237 333 G CA -0.519 44.433 45.100 -0.246 0.000 1.060 333 G HN 0.654 nan 8.290 nan 0.000 0.514 334 L N 1.434 122.549 121.223 -0.179 0.000 2.490 334 L HA 0.505 4.847 4.340 0.004 0.000 0.274 334 L C 0.656 177.623 176.870 0.162 0.000 1.201 334 L CA 0.877 55.753 54.840 0.060 0.000 0.869 334 L CB 0.420 42.566 42.059 0.146 0.000 1.123 334 L HN 0.629 nan 8.230 nan 0.000 0.484 335 Q N 4.113 123.999 119.800 0.145 0.000 2.359 335 Q HA 0.620 4.962 4.340 0.004 0.000 0.274 335 Q C -1.279 174.667 176.000 -0.091 0.000 1.074 335 Q CA -0.985 54.819 55.803 0.002 0.000 0.810 335 Q CB 2.497 31.223 28.738 -0.019 0.000 1.342 335 Q HN 0.539 nan 8.270 nan 0.000 0.427 336 V N -0.170 119.510 119.914 -0.390 0.000 2.547 336 V HA 0.793 4.915 4.120 0.004 0.000 0.299 336 V C -0.762 175.131 176.094 -0.334 0.000 1.040 336 V CA -0.724 61.393 62.300 -0.306 0.000 0.913 336 V CB 1.216 32.731 31.823 -0.513 0.000 0.992 336 V HN 0.660 nan 8.190 nan 0.000 0.449 337 L N 2.547 123.571 121.223 -0.332 0.000 2.371 337 L HA 0.625 4.967 4.340 0.004 0.000 0.262 337 L C 0.355 176.881 176.870 -0.573 0.000 1.006 337 L CA -0.725 53.719 54.840 -0.661 0.000 0.818 337 L CB 1.784 43.143 42.059 -1.167 0.000 1.354 337 L HN 0.886 nan 8.230 nan 0.000 0.415 338 N N 0.655 119.001 118.700 -0.591 0.000 2.725 338 N HA -0.164 4.578 4.740 0.004 0.000 0.251 338 N C -0.915 174.682 175.510 0.145 0.000 1.031 338 N CA 0.352 53.303 53.050 -0.166 0.000 0.720 338 N CB -0.564 37.874 38.487 -0.081 0.000 0.930 338 N HN 0.333 nan 8.380 nan 0.000 0.543 339 V N 1.836 121.793 119.914 0.073 0.000 2.470 339 V HA 0.168 4.291 4.120 0.004 0.000 0.276 339 V C 0.635 176.880 176.094 0.252 0.000 1.040 339 V CA 0.090 62.537 62.300 0.245 0.000 1.008 339 V CB 0.624 32.542 31.823 0.158 0.000 0.990 339 V HN 0.357 nan 8.190 nan 0.000 0.477 340 H N 3.762 122.990 119.070 0.263 0.000 2.621 340 H HA 0.702 5.260 4.556 0.004 0.000 0.360 340 H C -1.004 174.481 175.328 0.261 0.000 1.163 340 H CA -0.732 55.442 56.048 0.211 0.000 1.194 340 H CB 1.837 31.685 29.762 0.143 0.000 1.649 340 H HN 0.577 nan 8.280 nan 0.000 0.532 341 F N -0.066 119.950 119.950 0.111 0.000 2.569 341 F HA 0.447 4.976 4.527 0.004 0.000 0.312 341 F C 0.790 176.700 175.800 0.183 0.000 1.109 341 F CA 0.210 58.164 58.000 -0.077 0.000 0.919 341 F CB 1.685 40.418 39.000 -0.445 0.000 1.211 341 F HN 0.758 nan 8.300 nan 0.000 0.446 342 G N 2.841 111.522 108.800 -0.198 0.000 2.203 342 G HA2 0.011 3.973 3.960 0.004 0.000 0.263 342 G HA3 0.011 3.973 3.960 0.004 0.000 0.263 342 G C 1.035 176.028 174.900 0.155 0.000 1.012 342 G CA 0.673 45.818 45.100 0.075 0.000 0.749 342 G HN 2.252 nan 8.290 nan 0.000 0.512 343 G N -1.561 107.314 108.800 0.124 0.000 2.148 343 G HA2 -0.207 3.755 3.960 0.004 0.000 0.254 343 G HA3 -0.207 3.755 3.960 0.004 0.000 0.254 343 G C -0.024 175.065 174.900 0.315 0.000 0.981 343 G CA 0.997 46.197 45.100 0.167 0.000 0.670 343 G HN 1.171 nan 8.290 nan 0.000 0.528 344 E N -0.360 120.060 120.200 0.367 0.000 2.222 344 E HA 0.462 4.814 4.350 0.004 0.000 0.267 344 E C 0.193 176.825 176.600 0.053 0.000 0.884 344 E CA -1.070 55.504 56.400 0.290 0.000 0.764 344 E CB 1.889 31.797 29.700 0.346 0.000 1.169 344 E HN 0.311 nan 8.360 nan 0.000 0.413 345 R N 2.733 123.045 120.500 -0.313 0.000 2.590 345 R HA 0.107 4.449 4.340 0.004 0.000 0.274 345 R C 0.982 177.139 176.300 -0.239 0.000 1.061 345 R CA 0.349 56.069 56.100 -0.633 0.000 1.081 345 R CB 0.362 30.366 30.300 -0.493 0.000 0.984 345 R HN 0.759 nan 8.270 nan 0.000 0.448 346 I N -0.112 120.290 120.570 -0.280 0.000 4.197 346 I HA 0.449 4.622 4.170 0.004 0.000 0.307 346 I C -0.127 175.817 176.117 -0.288 0.000 1.236 346 I CA -0.177 60.894 61.300 -0.382 0.000 1.321 346 I CB 0.858 38.420 38.000 -0.730 0.000 1.309 346 I HN 0.442 nan 8.210 nan 0.000 0.450 347 A N -0.020 122.686 122.820 -0.191 0.000 2.437 347 A HA 0.423 4.745 4.320 0.004 0.000 0.293 347 A C -0.541 176.995 177.584 -0.081 0.000 1.038 347 A CA -0.528 51.425 52.037 -0.141 0.000 0.708 347 A CB 0.607 19.507 19.000 -0.165 0.000 1.251 347 A HN 0.323 nan 8.150 nan 0.000 0.409 348 Y N 1.678 121.887 120.300 -0.152 0.000 2.314 348 Y HA 0.145 4.697 4.550 0.004 0.000 0.293 348 Y C 0.746 176.555 175.900 -0.152 0.000 1.129 348 Y CA 2.326 60.351 58.100 -0.125 0.000 1.201 348 Y CB 0.377 38.773 38.460 -0.106 0.000 0.999 348 Y HN 0.700 nan 8.280 nan 0.000 0.541 349 E N -0.078 120.033 120.200 -0.147 0.000 2.354 349 E HA 0.469 4.821 4.350 0.004 0.000 0.283 349 E C -2.155 174.331 176.600 -0.190 0.000 0.938 349 E CA -0.613 55.656 56.400 -0.218 0.000 0.777 349 E CB 1.925 31.570 29.700 -0.093 0.000 1.222 349 E HN -0.164 nan 8.360 nan 0.000 0.423 350 V N 3.037 122.805 119.914 -0.242 0.000 2.482 350 V HA 0.547 4.670 4.120 0.004 0.000 0.295 350 V C -0.649 175.367 176.094 -0.131 0.000 1.026 350 V CA -0.562 61.629 62.300 -0.182 0.000 0.856 350 V CB 1.347 33.013 31.823 -0.262 0.000 1.001 350 V HN 0.697 nan 8.190 nan 0.000 0.424 351 S N 3.019 118.763 115.700 0.073 0.000 2.541 351 S HA 0.741 5.213 4.470 0.004 0.000 0.271 351 S C -0.836 173.840 174.600 0.127 0.000 1.133 351 S CA -0.863 57.408 58.200 0.118 0.000 0.876 351 S CB 1.795 64.992 63.200 -0.005 0.000 1.105 351 S HN 0.403 nan 8.310 nan 0.000 0.470 352 V N 3.305 123.197 119.914 -0.038 0.000 2.585 352 V HA 0.162 4.284 4.120 0.004 0.000 0.296 352 V C 0.725 176.630 176.094 -0.315 0.000 1.035 352 V CA 0.237 62.274 62.300 -0.439 0.000 1.084 352 V CB 0.721 32.076 31.823 -0.780 0.000 0.953 352 V HN 0.950 nan 8.190 nan 0.000 0.483 353 Q N 2.170 121.767 119.800 -0.339 0.000 2.471 353 Q HA 0.288 4.631 4.340 0.004 0.000 0.241 353 Q C 0.384 176.246 176.000 -0.230 0.000 0.886 353 Q CA 0.364 56.045 55.803 -0.203 0.000 0.953 353 Q CB 1.067 29.735 28.738 -0.117 0.000 1.108 353 Q HN 0.831 nan 8.270 nan 0.000 0.575 354 E N -0.873 119.141 120.200 -0.310 0.000 2.388 354 E HA 0.627 4.979 4.350 0.004 0.000 0.280 354 E C -2.070 174.484 176.600 -0.078 0.000 1.019 354 E CA -0.417 55.879 56.400 -0.173 0.000 0.806 354 E CB 1.801 31.389 29.700 -0.186 0.000 1.246 354 E HN 0.052 nan 8.360 nan 0.000 0.443 355 A N 2.045 124.938 122.820 0.121 0.000 2.414 355 A HA 0.694 5.016 4.320 0.004 0.000 0.286 355 A C -1.113 176.650 177.584 0.299 0.000 1.073 355 A CA -0.201 51.961 52.037 0.208 0.000 0.727 355 A CB 0.760 19.919 19.000 0.266 0.000 1.215 355 A HN 0.983 nan 8.150 nan 0.000 0.430 356 V N -0.480 119.621 119.914 0.311 0.000 2.914 356 V HA 0.999 5.121 4.120 0.004 0.000 0.314 356 V C -0.172 176.049 176.094 0.212 0.000 1.084 356 V CA -0.400 62.077 62.300 0.295 0.000 0.963 356 V CB 1.666 33.657 31.823 0.279 0.000 1.025 356 V HN 1.965 nan 8.190 nan 0.000 0.432 357 A N 5.120 128.057 122.820 0.195 0.000 2.375 357 A HA 0.827 5.149 4.320 0.004 0.000 0.291 357 A C -0.908 176.660 177.584 -0.026 0.000 1.160 357 A CA -0.540 51.498 52.037 0.003 0.000 0.747 357 A CB 0.793 19.874 19.000 0.135 0.000 1.170 357 A HN 1.009 nan 8.150 nan 0.000 0.458 358 L N 3.081 124.179 121.223 -0.210 0.000 2.280 358 L HA 0.496 4.839 4.340 0.004 0.000 0.287 358 L C -0.959 175.786 176.870 -0.207 0.000 1.023 358 L CA -0.477 54.297 54.840 -0.110 0.000 0.819 358 L CB 0.793 42.794 42.059 -0.097 0.000 1.212 358 L HN 0.721 nan 8.230 nan 0.000 0.420 359 Y N 1.051 121.348 120.300 -0.005 0.000 2.534 359 Y HA 0.743 5.295 4.550 0.004 0.000 0.329 359 Y C 0.858 176.770 175.900 0.021 0.000 1.154 359 Y CA -0.512 57.610 58.100 0.036 0.000 1.192 359 Y CB 2.035 40.515 38.460 0.033 0.000 1.275 359 Y HN 0.525 nan 8.280 nan 0.000 0.491 360 G N -0.939 107.990 108.800 0.215 0.000 2.600 360 G HA2 0.680 4.642 3.960 0.004 0.000 0.303 360 G HA3 0.680 4.642 3.960 0.004 0.000 0.303 360 G C -0.992 173.954 174.900 0.076 0.000 1.253 360 G CA -0.646 44.535 45.100 0.135 0.000 0.974 360 G HN 0.905 nan 8.290 nan 0.000 0.483 361 G N -1.531 107.133 108.800 -0.228 0.000 2.547 361 G HA2 0.459 4.421 3.960 0.004 0.000 0.291 361 G HA3 0.459 4.421 3.960 0.004 0.000 0.291 361 G C 0.123 174.626 174.900 -0.662 0.000 1.471 361 G CA 0.009 44.939 45.100 -0.284 0.000 0.798 361 G HN 0.933 nan 8.290 nan 0.000 0.504 362 H N -1.142 117.677 119.070 -0.419 0.000 2.497 362 H HA 0.111 4.669 4.556 0.004 0.000 0.282 362 H C 1.169 176.286 175.328 -0.352 0.000 1.003 362 H CA 1.152 57.046 56.048 -0.257 0.000 1.307 362 H CB -0.431 29.328 29.762 -0.005 0.000 1.437 362 H HN 0.625 nan 8.280 nan 0.000 0.544 363 T N -0.854 113.042 114.554 -1.096 0.000 2.918 363 T HA 0.221 4.574 4.350 0.004 0.000 0.283 363 T C -1.728 172.325 174.700 -1.079 0.000 1.001 363 T CA -1.891 59.354 62.100 -1.425 0.000 1.041 363 T CB 2.490 70.394 68.868 -1.605 0.000 1.028 363 T HN -0.115 nan 8.240 nan 0.000 0.511 364 P HA -0.038 nan 4.420 nan 0.000 0.216 364 P C 1.585 178.279 177.300 -1.010 0.000 1.150 364 P CA 1.407 63.827 63.100 -1.133 0.000 0.837 364 P CB -0.347 30.317 31.700 -1.727 0.000 0.786 365 A N 0.263 122.548 122.820 -0.893 0.000 1.902 365 A HA -0.063 4.259 4.320 0.004 0.000 0.217 365 A C 2.584 179.998 177.584 -0.284 0.000 1.181 365 A CA 2.103 53.914 52.037 -0.377 0.000 0.623 365 A CB -1.917 16.982 19.000 -0.169 0.000 0.818 365 A HN 0.282 nan 8.150 nan 0.000 0.443 366 G N 0.515 109.080 108.800 -0.392 0.000 2.421 366 G HA2 -0.247 3.715 3.960 0.004 0.000 0.216 366 G HA3 -0.247 3.715 3.960 0.004 0.000 0.216 366 G C 1.639 176.426 174.900 -0.189 0.000 1.171 366 G CA 1.386 46.319 45.100 -0.279 0.000 0.775 366 G HN 0.729 nan 8.290 nan 0.000 0.543 367 M N -0.611 118.828 119.600 -0.267 0.000 2.619 367 M HA 0.315 4.797 4.480 0.004 0.000 0.251 367 M C 2.108 178.358 176.300 -0.083 0.000 1.106 367 M CA 1.370 56.568 55.300 -0.171 0.000 1.086 367 M CB 0.180 32.650 32.600 -0.216 0.000 1.465 367 M HN 0.176 nan 8.290 nan 0.000 0.506 368 Q N 1.707 121.448 119.800 -0.098 0.000 2.354 368 Q HA 0.113 4.455 4.340 0.004 0.000 0.203 368 Q C -0.158 175.826 176.000 -0.026 0.000 0.933 368 Q CA 0.887 56.688 55.803 -0.004 0.000 0.901 368 Q CB 0.090 28.867 28.738 0.065 0.000 1.007 368 Q HN 0.468 nan 8.270 nan 0.000 0.495 369 T N 2.087 116.590 114.554 -0.084 0.000 2.738 369 T HA 0.244 4.596 4.350 0.004 0.000 0.293 369 T C -0.592 174.061 174.700 -0.078 0.000 0.913 369 T CA 0.026 61.986 62.100 -0.233 0.000 1.103 369 T CB 0.221 68.823 68.868 -0.442 0.000 0.880 369 T HN 0.065 nan 8.240 nan 0.000 0.526 370 K N 3.569 123.894 120.400 -0.125 0.000 2.626 370 K HA 0.243 4.565 4.320 0.004 0.000 0.223 370 K C -1.260 175.365 176.600 0.042 0.000 0.992 370 K CA -0.668 55.616 56.287 -0.006 0.000 1.024 370 K CB 0.975 33.468 32.500 -0.011 0.000 1.225 370 K HN 0.450 nan 8.250 nan 0.000 0.498 371 Y N 2.032 122.426 120.300 0.158 0.000 2.393 371 Y HA 0.181 4.733 4.550 0.004 0.000 0.338 371 Y C -0.050 175.982 175.900 0.220 0.000 1.029 371 Y CA -0.699 57.504 58.100 0.172 0.000 1.239 371 Y CB 0.611 39.089 38.460 0.029 0.000 1.170 371 Y HN 0.309 nan 8.280 nan 0.000 0.515 372 L N 4.476 125.995 121.223 0.493 0.000 2.301 372 L HA 0.302 4.645 4.340 0.004 0.000 0.278 372 L C 0.702 177.870 176.870 0.498 0.000 1.022 372 L CA -0.231 54.857 54.840 0.413 0.000 0.854 372 L CB 1.098 43.359 42.059 0.338 0.000 1.226 372 L HN 0.540 nan 8.230 nan 0.000 0.429 373 D N 1.347 121.987 120.400 0.401 0.000 2.312 373 D HA -0.079 4.563 4.640 0.004 0.000 0.211 373 D C 1.999 178.527 176.300 0.379 0.000 0.964 373 D CA 0.707 54.942 54.000 0.392 0.000 0.877 373 D CB 0.482 41.458 40.800 0.293 0.000 0.924 373 D HN 0.288 nan 8.370 nan 0.000 0.515 374 V N 0.486 120.561 119.914 0.269 0.000 2.626 374 V HA -0.122 4.000 4.120 0.004 0.000 0.252 374 V C 2.346 178.564 176.094 0.207 0.000 1.067 374 V CA 1.760 64.161 62.300 0.168 0.000 1.081 374 V CB -0.617 31.254 31.823 0.080 0.000 0.686 374 V HN 0.260 nan 8.190 nan 0.000 0.468 375 G N -1.819 107.143 108.800 0.270 0.000 2.776 375 G HA2 -0.179 3.784 3.960 0.004 0.000 0.209 375 G HA3 -0.179 3.784 3.960 0.004 0.000 0.209 375 G C 0.789 175.707 174.900 0.030 0.000 1.145 375 G CA 0.030 45.205 45.100 0.125 0.000 0.791 375 G HN 0.682 nan 8.290 nan 0.000 0.530 376 W N -0.728 120.686 121.300 0.191 0.000 2.862 376 W HA 0.464 5.126 4.660 0.004 0.000 0.376 376 W C 1.228 177.763 176.519 0.027 0.000 1.028 376 W CA -0.549 56.920 57.345 0.207 0.000 1.757 376 W CB 0.198 29.744 29.460 0.144 0.000 1.128 376 W HN 0.237 nan 8.180 nan 0.000 0.566 377 G N 1.988 110.814 108.800 0.043 0.000 2.368 377 G HA2 -0.322 3.640 3.960 0.004 0.000 0.290 377 G HA3 -0.322 3.640 3.960 0.004 0.000 0.290 377 G C 0.679 175.407 174.900 -0.287 0.000 1.098 377 G CA 0.082 44.871 45.100 -0.519 0.000 1.073 377 G HN 0.277 nan 8.290 nan 0.000 0.511 378 L N 0.537 121.717 121.223 -0.072 0.000 2.089 378 L HA 0.051 4.393 4.340 0.004 0.000 0.213 378 L C 2.529 179.314 176.870 -0.141 0.000 1.079 378 L CA 3.472 58.298 54.840 -0.023 0.000 0.758 378 L CB -0.485 41.587 42.059 0.021 0.000 0.891 378 L HN 0.590 nan 8.230 nan 0.000 0.433 379 G N -2.948 105.708 108.800 -0.241 0.000 2.813 379 G HA2 -0.056 3.906 3.960 0.004 0.000 0.209 379 G HA3 -0.056 3.906 3.960 0.004 0.000 0.209 379 G C 1.371 175.927 174.900 -0.574 0.000 1.150 379 G CA 0.629 45.553 45.100 -0.292 0.000 0.785 379 G HN 0.440 nan 8.290 nan 0.000 0.535 380 S N -0.413 114.846 115.700 -0.734 0.000 2.512 380 S HA 0.051 4.523 4.470 0.004 0.000 0.216 380 S C 1.448 175.577 174.600 -0.785 0.000 1.006 380 S CA 0.158 57.657 58.200 -1.168 0.000 0.915 380 S CB 0.748 63.374 63.200 -0.957 0.000 0.824 380 S HN 0.345 nan 8.310 nan 0.000 0.497 381 V N 1.826 121.483 119.914 -0.428 0.000 3.095 381 V HA 0.291 4.413 4.120 0.004 0.000 0.388 381 V C 0.494 176.457 176.094 -0.219 0.000 1.286 381 V CA -0.421 61.735 62.300 -0.240 0.000 1.406 381 V CB -1.175 30.665 31.823 0.028 0.000 1.363 381 V HN 0.368 nan 8.190 nan 0.000 0.532 382 T N -1.015 113.346 114.554 -0.321 0.000 3.688 382 T HA 0.324 4.676 4.350 0.004 0.000 0.307 382 T C 0.255 174.923 174.700 -0.053 0.000 1.382 382 T CA -0.272 61.770 62.100 -0.097 0.000 1.136 382 T CB -0.634 68.221 68.868 -0.021 0.000 1.207 382 T HN 0.584 nan 8.240 nan 0.000 0.854 383 H N 1.251 120.400 119.070 0.133 0.000 2.544 383 H HA 0.278 4.836 4.556 0.004 0.000 0.365 383 H C 0.480 175.873 175.328 0.108 0.000 1.268 383 H CA -0.620 55.489 56.048 0.100 0.000 1.400 383 H CB 0.820 30.593 29.762 0.019 0.000 1.538 383 H HN 0.658 nan 8.280 nan 0.000 0.597 384 E N 1.538 121.863 120.200 0.208 0.000 2.493 384 E HA 0.008 4.360 4.350 0.004 0.000 0.255 384 E C -0.475 176.264 176.600 0.233 0.000 0.999 384 E CA -0.261 56.182 56.400 0.072 0.000 0.934 384 E CB 0.183 29.715 29.700 -0.280 0.000 0.940 384 E HN 0.267 nan 8.360 nan 0.000 0.473 385 L N 3.792 125.136 121.223 0.202 0.000 2.367 385 L HA 0.223 4.566 4.340 0.004 0.000 0.275 385 L C 0.330 177.350 176.870 0.251 0.000 1.129 385 L CA -0.414 54.586 54.840 0.266 0.000 0.839 385 L CB 0.985 43.252 42.059 0.347 0.000 1.133 385 L HN 0.569 nan 8.230 nan 0.000 0.453 386 A N 6.093 129.100 122.820 0.311 0.000 2.302 386 A HA 0.546 4.868 4.320 0.004 0.000 0.295 386 A C -2.322 175.404 177.584 0.236 0.000 1.235 386 A CA -1.499 50.733 52.037 0.326 0.000 0.876 386 A CB -0.160 18.981 19.000 0.235 0.000 1.133 386 A HN 0.390 nan 8.150 nan 0.000 0.533 387 P HA 0.274 nan 4.420 nan 0.000 0.268 387 P C 1.143 178.606 177.300 0.272 0.000 1.204 387 P CA 1.739 64.914 63.100 0.125 0.000 0.768 387 P CB 0.916 32.525 31.700 -0.151 0.000 0.842 388 G N 2.092 111.007 108.800 0.193 0.000 2.225 388 G HA2 -0.282 3.680 3.960 0.004 0.000 0.254 388 G HA3 -0.282 3.680 3.960 0.004 0.000 0.254 388 G C 0.628 175.536 174.900 0.013 0.000 0.988 388 G CA 0.362 45.510 45.100 0.080 0.000 0.625 388 G HN 0.492 nan 8.290 nan 0.000 0.527 389 I N -0.797 119.795 120.570 0.036 0.000 3.674 389 I HA 0.205 4.377 4.170 0.004 0.000 0.248 389 I C 1.892 178.004 176.117 -0.008 0.000 1.134 389 I CA 0.379 61.671 61.300 -0.014 0.000 1.519 389 I CB -0.170 37.807 38.000 -0.037 0.000 1.598 389 I HN -0.107 nan 8.210 nan 0.000 0.442 390 D N 0.881 121.311 120.400 0.051 0.000 2.149 390 D HA -0.009 4.633 4.640 0.004 0.000 0.201 390 D C 0.365 176.679 176.300 0.023 0.000 0.972 390 D CA 1.099 55.133 54.000 0.056 0.000 0.835 390 D CB 0.155 41.037 40.800 0.136 0.000 0.966 390 D HN 0.282 nan 8.370 nan 0.000 0.476 391 c N -0.252 118.372 118.600 0.041 0.000 3.044 391 c HA 0.482 5.055 4.570 0.004 0.000 0.315 391 c C -2.404 171.539 174.090 -0.245 0.000 1.320 391 c CA -1.787 54.385 56.329 -0.262 0.000 1.582 391 c CB 1.837 44.174 42.510 -0.290 0.000 2.039 391 c HN 0.031 nan 8.230 nan 0.000 0.466 392 P HA 0.170 nan 4.420 nan 0.000 0.270 392 P C 0.116 177.400 177.300 -0.026 0.000 1.223 392 P CA 0.292 63.226 63.100 -0.277 0.000 0.785 392 P CB 0.499 31.976 31.700 -0.372 0.000 0.923 393 E N -0.150 120.085 120.200 0.059 0.000 2.265 393 E HA -0.144 4.208 4.350 0.004 0.000 0.196 393 E C 1.418 178.116 176.600 0.164 0.000 0.996 393 E CA 1.736 58.230 56.400 0.157 0.000 0.832 393 E CB -0.858 28.904 29.700 0.103 0.000 0.756 393 E HN 0.577 nan 8.360 nan 0.000 0.491 394 T N -1.993 112.608 114.554 0.077 0.000 3.129 394 T HA 0.377 4.729 4.350 0.004 0.000 0.251 394 T C 0.888 175.630 174.700 0.069 0.000 1.117 394 T CA 0.083 62.229 62.100 0.076 0.000 1.034 394 T CB 0.037 68.940 68.868 0.059 0.000 0.968 394 T HN 0.136 nan 8.240 nan 0.000 0.526 395 A N 1.693 124.491 122.820 -0.037 0.000 2.425 395 A HA 0.497 4.819 4.320 0.004 0.000 0.242 395 A C 0.526 177.985 177.584 -0.209 0.000 1.077 395 A CA -0.349 51.567 52.037 -0.201 0.000 0.781 395 A CB -0.028 18.569 19.000 -0.672 0.000 1.020 395 A HN 0.359 nan 8.150 nan 0.000 0.494 396 T N 2.472 116.978 114.554 -0.079 0.000 2.729 396 T HA 0.469 4.822 4.350 0.004 0.000 0.296 396 T C -0.634 173.965 174.700 -0.168 0.000 0.928 396 T CA 0.453 62.563 62.100 0.016 0.000 1.045 396 T CB -0.420 68.567 68.868 0.198 0.000 0.902 396 T HN 0.318 nan 8.240 nan 0.000 0.500 397 F N 2.809 122.825 119.950 0.110 0.000 2.399 397 F HA 0.566 5.096 4.527 0.004 0.000 0.334 397 F C 0.298 176.150 175.800 0.087 0.000 1.097 397 F CA -1.112 56.939 58.000 0.085 0.000 1.076 397 F CB 0.970 40.003 39.000 0.054 0.000 1.162 397 F HN 0.190 nan 8.300 nan 0.000 0.495 398 L N 3.145 124.513 121.223 0.242 0.000 2.385 398 L HA 0.423 4.766 4.340 0.004 0.000 0.273 398 L C -0.989 175.965 176.870 0.140 0.000 0.990 398 L CA -0.998 53.954 54.840 0.187 0.000 0.821 398 L CB 1.859 44.032 42.059 0.190 0.000 1.279 398 L HN 0.496 nan 8.230 nan 0.000 0.412 399 D N 0.907 121.374 120.400 0.112 0.000 2.329 399 D HA 0.533 5.176 4.640 0.004 0.000 0.246 399 D C 0.018 176.320 176.300 0.003 0.000 1.111 399 D CA 0.117 54.117 54.000 0.001 0.000 0.941 399 D CB 2.036 42.877 40.800 0.068 0.000 1.169 399 D HN 0.384 nan 8.370 nan 0.000 0.441 400 T N -0.451 114.013 114.554 -0.150 0.000 2.754 400 T HA 0.626 4.978 4.350 0.004 0.000 0.296 400 T C -1.702 172.825 174.700 -0.288 0.000 1.205 400 T CA -0.550 61.490 62.100 -0.100 0.000 1.009 400 T CB 0.372 69.153 68.868 -0.144 0.000 1.368 400 T HN 0.129 nan 8.240 nan 0.000 0.509 401 F N 1.751 121.600 119.950 -0.169 0.000 2.520 401 F HA 0.587 5.116 4.527 0.004 0.000 0.322 401 F C 0.318 175.952 175.800 -0.277 0.000 1.103 401 F CA -0.758 57.195 58.000 -0.079 0.000 0.926 401 F CB 1.701 40.741 39.000 0.066 0.000 1.154 401 F HN 0.443 nan 8.300 nan 0.000 0.453 402 H N 1.754 120.967 119.070 0.238 0.000 2.622 402 H HA 0.245 4.803 4.556 0.004 0.000 0.363 402 H C -1.583 173.905 175.328 0.267 0.000 1.151 402 H CA -0.783 55.342 56.048 0.129 0.000 1.184 402 H CB 2.252 31.907 29.762 -0.178 0.000 1.643 402 H HN 0.685 nan 8.280 nan 0.000 0.531 403 Y N 3.268 123.729 120.300 0.268 0.000 2.686 403 Y HA 0.250 4.802 4.550 0.004 0.000 0.331 403 Y C -1.625 174.352 175.900 0.128 0.000 0.996 403 Y CA -0.704 57.500 58.100 0.173 0.000 1.293 403 Y CB 0.333 38.864 38.460 0.117 0.000 1.092 403 Y HN 0.547 nan 8.280 nan 0.000 0.524 404 Y N 5.798 125.986 120.300 -0.187 0.000 2.315 404 Y HA 0.296 4.848 4.550 0.004 0.000 0.324 404 Y C -0.188 175.431 175.900 -0.469 0.000 1.062 404 Y CA -1.155 56.745 58.100 -0.334 0.000 1.159 404 Y CB 0.745 39.067 38.460 -0.230 0.000 1.145 404 Y HN 0.663 nan 8.280 nan 0.000 0.442 405 D N 3.586 123.382 120.400 -1.007 0.000 2.697 405 D HA -0.179 4.463 4.640 0.004 0.000 0.238 405 D C -1.368 174.770 176.300 -0.270 0.000 1.152 405 D CA 1.534 55.157 54.000 -0.629 0.000 0.666 405 D CB -0.889 39.656 40.800 -0.426 0.000 1.037 405 D HN 0.803 nan 8.370 nan 0.000 0.423 406 A N 0.168 122.733 122.820 -0.426 0.000 2.498 406 A HA 0.584 4.906 4.320 0.004 0.000 0.298 406 A C 0.687 178.059 177.584 -0.354 0.000 1.075 406 A CA -0.412 51.419 52.037 -0.344 0.000 0.714 406 A CB 1.382 20.154 19.000 -0.379 0.000 1.299 406 A HN -0.004 nan 8.150 nan 0.000 0.407 407 D N 0.388 120.698 120.400 -0.149 0.000 2.234 407 D HA 0.077 4.719 4.640 0.004 0.000 0.205 407 D C -0.265 175.959 176.300 -0.126 0.000 0.962 407 D CA 1.492 55.462 54.000 -0.050 0.000 0.855 407 D CB 0.315 41.118 40.800 0.005 0.000 0.951 407 D HN 0.578 nan 8.370 nan 0.000 0.500 408 D N -1.137 119.168 120.400 -0.158 0.000 2.602 408 D HA 0.233 4.875 4.640 0.004 0.000 0.236 408 D C -2.716 173.595 176.300 0.020 0.000 1.209 408 D CA -1.458 52.496 54.000 -0.077 0.000 0.831 408 D CB 2.403 43.179 40.800 -0.040 0.000 1.478 408 D HN -0.256 nan 8.370 nan 0.000 0.438 409 P HA 0.023 nan 4.420 nan 0.000 0.264 409 P C -0.521 177.001 177.300 0.369 0.000 1.183 409 P CA -0.016 63.292 63.100 0.346 0.000 0.763 409 P CB 0.563 32.438 31.700 0.292 0.000 0.807 410 V N 3.907 124.068 119.914 0.411 0.000 2.459 410 V HA 0.205 4.327 4.120 0.004 0.000 0.295 410 V C 0.324 176.564 176.094 0.243 0.000 1.029 410 V CA -0.616 61.883 62.300 0.331 0.000 0.874 410 V CB 1.215 33.238 31.823 0.333 0.000 0.985 410 V HN 0.618 nan 8.190 nan 0.000 0.438 411 H N 4.478 123.442 119.070 -0.176 0.000 2.620 411 H HA 0.309 4.867 4.556 0.004 0.000 0.313 411 H C -1.733 173.399 175.328 -0.326 0.000 1.075 411 H CA -0.224 55.404 56.048 -0.700 0.000 1.397 411 H CB 0.678 30.072 29.762 -0.614 0.000 1.446 411 H HN 0.587 nan 8.280 nan 0.000 0.493 412 Y N 6.819 126.611 120.300 -0.846 0.000 2.402 412 Y HA 0.225 4.777 4.550 0.004 0.000 0.332 412 Y C -2.021 173.466 175.900 -0.687 0.000 0.960 412 Y CA -2.664 55.122 58.100 -0.524 0.000 1.228 412 Y CB 1.371 39.631 38.460 -0.333 0.000 1.120 412 Y HN 0.592 nan 8.280 nan 0.000 0.491 413 P HA 0.147 nan 4.420 nan 0.000 0.276 413 P C -0.522 176.701 177.300 -0.128 0.000 1.230 413 P CA -0.289 62.630 63.100 -0.302 0.000 0.776 413 P CB 0.794 32.401 31.700 -0.155 0.000 0.888 414 R N 1.355 121.834 120.500 -0.035 0.000 3.322 414 R HA -0.224 4.119 4.340 0.004 0.000 0.253 414 R C 1.073 177.444 176.300 0.118 0.000 0.987 414 R CA 0.437 56.592 56.100 0.091 0.000 0.666 414 R CB -2.403 27.915 30.300 0.028 0.000 1.072 414 R HN 0.601 nan 8.270 nan 0.000 0.447 415 A N -0.018 122.849 122.820 0.078 0.000 1.969 415 A HA 0.056 4.379 4.320 0.004 0.000 0.218 415 A C 0.792 178.450 177.584 0.124 0.000 1.169 415 A CA 0.986 53.078 52.037 0.090 0.000 0.635 415 A CB 0.227 19.248 19.000 0.036 0.000 0.810 415 A HN 0.253 nan 8.150 nan 0.000 0.445 416 L N -2.188 119.116 121.223 0.134 0.000 2.327 416 L HA 0.588 4.930 4.340 0.004 0.000 0.258 416 L C -0.346 176.585 176.870 0.102 0.000 1.024 416 L CA -0.614 54.290 54.840 0.106 0.000 0.825 416 L CB 2.100 44.194 42.059 0.059 0.000 1.386 416 L HN 0.385 nan 8.230 nan 0.000 0.417 417 c N 0.525 119.135 118.600 0.017 0.000 2.994 417 c HA 0.920 5.492 4.570 0.004 0.000 0.305 417 c C -1.267 172.754 174.090 -0.115 0.000 1.251 417 c CA -0.981 55.283 56.329 -0.107 0.000 1.478 417 c CB 1.377 43.728 42.510 -0.265 0.000 1.922 417 c HN 0.770 nan 8.230 nan 0.000 0.472 418 L N 3.215 124.346 121.223 -0.152 0.000 2.409 418 L HA 0.976 5.319 4.340 0.004 0.000 0.272 418 L C -0.830 175.934 176.870 -0.177 0.000 0.980 418 L CA -0.405 54.245 54.840 -0.317 0.000 0.826 418 L CB 1.540 43.326 42.059 -0.456 0.000 1.268 418 L HN 0.980 nan 8.230 nan 0.000 0.407 419 F N 1.491 121.194 119.950 -0.412 0.000 2.678 419 F HA 0.626 5.155 4.527 0.003 0.000 0.308 419 F C -1.060 174.633 175.800 -0.177 0.000 1.118 419 F CA -0.876 57.020 58.000 -0.173 0.000 0.959 419 F CB 1.264 40.186 39.000 -0.130 0.000 1.305 419 F HN 0.571 nan 8.300 nan 0.000 0.443 420 E N 3.986 124.307 120.200 0.201 0.000 2.175 420 E HA 0.658 5.010 4.350 0.004 0.000 0.278 420 E C -1.204 175.535 176.600 0.232 0.000 0.969 420 E CA -1.030 55.426 56.400 0.093 0.000 0.796 420 E CB 1.472 31.296 29.700 0.207 0.000 1.104 420 E HN 0.793 nan 8.360 nan 0.000 0.395 421 M N 2.786 122.480 119.600 0.156 0.000 2.446 421 M HA 0.597 5.079 4.480 0.004 0.000 0.294 421 M C -2.719 173.648 176.300 0.112 0.000 1.158 421 M CA -2.450 52.959 55.300 0.183 0.000 0.899 421 M CB 2.315 35.077 32.600 0.270 0.000 1.687 421 M HN 0.094 nan 8.290 nan 0.000 0.455 422 P HA 0.107 nan 4.420 nan 0.000 0.271 422 P C 0.569 177.916 177.300 0.079 0.000 1.216 422 P CA -0.022 63.136 63.100 0.096 0.000 0.771 422 P CB 0.726 32.480 31.700 0.090 0.000 0.864 423 T N -1.378 113.224 114.554 0.080 0.000 3.088 423 T HA 0.144 4.496 4.350 0.004 0.000 0.259 423 T C 1.451 176.193 174.700 0.069 0.000 1.122 423 T CA 0.742 62.887 62.100 0.075 0.000 1.095 423 T CB -0.957 67.978 68.868 0.112 0.000 0.930 423 T HN 0.652 nan 8.240 nan 0.000 0.508 424 G N 0.320 109.161 108.800 0.069 0.000 2.162 424 G HA2 -0.197 3.765 3.960 0.004 0.000 0.260 424 G HA3 -0.197 3.765 3.960 0.004 0.000 0.260 424 G C 0.108 175.044 174.900 0.060 0.000 0.976 424 G CA 0.215 45.349 45.100 0.056 0.000 0.655 424 G HN 1.184 nan 8.290 nan 0.000 0.533 425 V N 1.404 121.365 119.914 0.078 0.000 2.686 425 V HA 0.749 4.872 4.120 0.004 0.000 0.306 425 V C -2.221 173.933 176.094 0.100 0.000 1.065 425 V CA -1.875 60.473 62.300 0.079 0.000 0.894 425 V CB 2.420 34.284 31.823 0.070 0.000 1.004 425 V HN 0.085 nan 8.190 nan 0.000 0.424 426 P HA 0.123 nan 4.420 nan 0.000 0.268 426 P C 0.855 178.219 177.300 0.106 0.000 1.205 426 P CA 0.067 63.235 63.100 0.112 0.000 0.771 426 P CB 1.121 32.894 31.700 0.122 0.000 0.858 427 L N 2.288 123.580 121.223 0.116 0.000 2.046 427 L HA -0.104 4.238 4.340 0.004 0.000 0.208 427 L C 1.112 178.023 176.870 0.067 0.000 1.077 427 L CA 1.581 56.484 54.840 0.106 0.000 0.747 427 L CB -0.034 42.100 42.059 0.124 0.000 0.896 427 L HN 0.528 nan 8.230 nan 0.000 0.432 428 R N -0.783 119.755 120.500 0.064 0.000 2.643 428 R HA 0.639 4.981 4.340 0.004 0.000 0.269 428 R C -1.364 174.965 176.300 0.048 0.000 1.037 428 R CA -1.022 55.106 56.100 0.047 0.000 0.894 428 R CB 1.376 31.691 30.300 0.025 0.000 1.238 428 R HN 0.071 nan 8.270 nan 0.000 0.459 429 R N 0.254 120.787 120.500 0.055 0.000 2.629 429 R HA 0.538 4.881 4.340 0.004 0.000 0.266 429 R C -1.916 174.438 176.300 0.091 0.000 1.051 429 R CA -1.064 55.050 56.100 0.024 0.000 0.895 429 R CB 1.242 31.608 30.300 0.111 0.000 1.246 429 R HN 0.865 nan 8.270 nan 0.000 0.459 430 H N 1.506 120.497 119.070 -0.132 0.000 3.026 430 H HA 0.457 5.015 4.556 0.003 0.000 0.352 430 H C -2.093 173.194 175.328 -0.068 0.000 1.090 430 H CA -1.082 54.940 56.048 -0.043 0.000 1.268 430 H CB 1.212 30.964 29.762 -0.018 0.000 1.816 430 H HN 0.613 nan 8.280 nan 0.000 0.518 431 F N 5.597 125.176 119.950 -0.619 0.000 2.371 431 F HA 0.314 4.842 4.527 0.002 0.000 0.363 431 F C -0.188 174.996 175.800 -1.027 0.000 1.122 431 F CA -0.421 57.260 58.000 -0.532 0.000 1.129 431 F CB 0.448 39.320 39.000 -0.214 0.000 1.173 431 F HN 0.602 nan 8.300 nan 0.000 0.489 432 N N 5.280 123.152 118.700 -1.379 0.000 2.602 432 N HA 0.015 4.757 4.740 0.004 0.000 0.238 432 N C -0.463 174.506 175.510 -0.900 0.000 1.084 432 N CA -0.031 52.380 53.050 -1.066 0.000 0.952 432 N CB 0.661 38.287 38.487 -1.435 0.000 1.244 432 N HN 0.610 nan 8.380 nan 0.000 0.512 433 S N 1.949 117.216 115.700 -0.723 0.000 2.585 433 S HA 0.024 4.497 4.470 0.004 0.000 0.273 433 S C 1.329 175.485 174.600 -0.739 0.000 1.339 433 S CA -0.456 57.341 58.200 -0.672 0.000 1.028 433 S CB 0.478 63.257 63.200 -0.702 0.000 0.906 433 S HN 0.759 nan 8.310 nan 0.000 0.528 434 N N 2.304 120.755 118.700 -0.415 0.000 2.280 434 N HA 0.072 4.815 4.740 0.004 0.000 0.192 434 N C 0.143 175.652 175.510 -0.002 0.000 1.109 434 N CA 0.035 52.982 53.050 -0.173 0.000 0.855 434 N CB -0.873 37.592 38.487 -0.037 0.000 0.974 434 N HN 0.676 nan 8.380 nan 0.000 0.482 435 F N -0.069 119.925 119.950 0.072 0.000 3.034 435 F HA -0.272 4.257 4.527 0.002 0.000 0.286 435 F C 0.230 176.062 175.800 0.053 0.000 0.804 435 F CA 1.096 59.133 58.000 0.063 0.000 1.161 435 F CB -1.833 37.193 39.000 0.044 0.000 1.317 435 F HN 0.429 nan 8.300 nan 0.000 0.453 436 K N -0.768 119.720 120.400 0.147 0.000 3.209 436 K HA 0.633 4.955 4.320 0.004 0.000 0.202 436 K C 0.819 177.470 176.600 0.084 0.000 1.109 436 K CA 0.003 56.357 56.287 0.112 0.000 0.968 436 K CB 0.908 33.469 32.500 0.101 0.000 0.732 436 K HN 0.543 nan 8.250 nan 0.000 0.450 437 G N -0.579 108.269 108.800 0.081 0.000 2.157 437 G HA2 -0.189 3.773 3.960 0.004 0.000 0.239 437 G HA3 -0.189 3.773 3.960 0.004 0.000 0.239 437 G C 0.256 175.213 174.900 0.094 0.000 0.982 437 G CA -0.235 44.908 45.100 0.070 0.000 0.650 437 G HN 0.871 nan 8.290 nan 0.000 0.527 438 G N -0.862 108.010 108.800 0.120 0.000 2.911 438 G HA2 0.950 4.913 3.960 0.004 0.000 0.299 438 G HA3 0.950 4.913 3.960 0.004 0.000 0.299 438 G C -0.766 174.272 174.900 0.230 0.000 1.283 438 G CA -0.344 44.880 45.100 0.206 0.000 0.805 438 G HN 1.424 nan 8.290 nan 0.000 0.548 439 F N -1.572 118.297 119.950 -0.135 0.000 2.645 439 F HA 0.609 5.138 4.527 0.002 0.000 0.310 439 F C 0.130 175.781 175.800 -0.249 0.000 1.102 439 F CA -1.321 56.453 58.000 -0.376 0.000 0.952 439 F CB 1.557 40.129 39.000 -0.712 0.000 1.326 439 F HN 0.274 nan 8.300 nan 0.000 0.456 440 N N 0.972 119.372 118.700 -0.501 0.000 2.387 440 N HA 0.166 4.908 4.740 0.004 0.000 0.176 440 N C -0.655 174.617 175.510 -0.398 0.000 1.022 440 N CA 1.239 54.074 53.050 -0.360 0.000 0.883 440 N CB 0.359 38.767 38.487 -0.132 0.000 1.019 440 N HN 0.685 nan 8.380 nan 0.000 0.435 441 F N -2.201 117.374 119.950 -0.625 0.000 2.769 441 F HA 0.404 4.934 4.527 0.005 0.000 0.313 441 F C -1.819 173.853 175.800 -0.214 0.000 1.146 441 F CA -1.669 55.956 58.000 -0.626 0.000 0.934 441 F CB 0.773 39.177 39.000 -0.993 0.000 1.283 441 F HN -0.197 nan 8.300 nan 0.000 0.443 442 Y N 2.069 122.432 120.300 0.106 0.000 2.364 442 Y HA 0.856 5.407 4.550 0.003 0.000 0.340 442 Y C -1.167 174.837 175.900 0.174 0.000 0.975 442 Y CA -0.927 57.219 58.100 0.077 0.000 1.089 442 Y CB 1.606 40.137 38.460 0.118 0.000 1.192 442 Y HN 1.072 nan 8.280 nan 0.000 0.454 443 A N 4.002 126.456 122.820 -0.610 0.000 2.355 443 A HA 0.915 5.237 4.320 0.004 0.000 0.317 443 A C -0.611 176.533 177.584 -0.734 0.000 1.094 443 A CA -0.183 51.583 52.037 -0.453 0.000 0.764 443 A CB 1.096 20.035 19.000 -0.101 0.000 1.230 443 A HN 1.254 nan 8.150 nan 0.000 0.448 444 G N -0.045 108.559 108.800 -0.327 0.000 2.742 444 G HA2 0.595 4.557 3.960 0.004 0.000 0.296 444 G HA3 0.595 4.557 3.960 0.004 0.000 0.296 444 G C -2.123 172.819 174.900 0.069 0.000 1.436 444 G CA -0.466 44.588 45.100 -0.077 0.000 0.928 444 G HN 1.232 nan 8.290 nan 0.000 0.520 445 L N 1.090 122.362 121.223 0.081 0.000 2.343 445 L HA 0.607 4.950 4.340 0.004 0.000 0.278 445 L C 0.369 177.311 176.870 0.119 0.000 0.996 445 L CA -1.118 53.779 54.840 0.097 0.000 0.831 445 L CB 1.424 43.525 42.059 0.069 0.000 1.232 445 L HN 0.589 nan 8.230 nan 0.000 0.413 446 K N 3.422 123.900 120.400 0.130 0.000 2.489 446 K HA 0.308 4.630 4.320 0.004 0.000 0.278 446 K C 0.261 176.942 176.600 0.134 0.000 1.000 446 K CA 0.436 56.801 56.287 0.130 0.000 1.012 446 K CB 0.382 32.958 32.500 0.126 0.000 0.903 446 K HN 0.924 nan 8.250 nan 0.000 0.485 447 G N 4.087 112.967 108.800 0.133 0.000 2.358 447 G HA2 0.134 4.096 3.960 0.004 0.000 0.273 447 G HA3 0.134 4.096 3.960 0.004 0.000 0.273 447 G C -0.802 174.186 174.900 0.146 0.000 1.215 447 G CA -0.399 44.791 45.100 0.151 0.000 0.910 447 G HN 0.564 nan 8.290 nan 0.000 0.467 448 Q N 0.350 120.251 119.800 0.168 0.000 2.421 448 Q HA 0.655 4.997 4.340 0.004 0.000 0.280 448 Q C -1.254 174.819 176.000 0.122 0.000 1.085 448 Q CA -0.838 55.060 55.803 0.158 0.000 0.807 448 Q CB 2.957 31.826 28.738 0.219 0.000 1.405 448 Q HN 0.433 nan 8.270 nan 0.000 0.419 449 V N 1.721 121.636 119.914 0.002 0.000 3.012 449 V HA 0.474 4.596 4.120 0.004 0.000 0.307 449 V C -1.692 174.234 176.094 -0.279 0.000 1.166 449 V CA -0.797 61.388 62.300 -0.191 0.000 0.974 449 V CB 2.572 34.054 31.823 -0.569 0.000 1.040 449 V HN 0.686 nan 8.190 nan 0.000 0.428 450 L N 6.162 127.128 121.223 -0.429 0.000 2.289 450 L HA 0.757 5.099 4.340 0.004 0.000 0.285 450 L C -0.831 175.694 176.870 -0.575 0.000 1.049 450 L CA 0.256 54.689 54.840 -0.679 0.000 0.804 450 L CB 1.578 43.008 42.059 -1.049 0.000 1.195 450 L HN 0.477 nan 8.230 nan 0.000 0.428 451 V N 6.261 125.674 119.914 -0.836 0.000 2.444 451 V HA 0.405 4.527 4.120 0.004 0.000 0.294 451 V C -0.574 175.090 176.094 -0.717 0.000 1.022 451 V CA -0.628 61.166 62.300 -0.842 0.000 0.850 451 V CB 1.546 32.587 31.823 -1.303 0.000 0.992 451 V HN 0.658 nan 8.190 nan 0.000 0.426 452 L N 6.154 127.164 121.223 -0.356 0.000 2.282 452 L HA 0.749 5.092 4.340 0.004 0.000 0.288 452 L C -0.251 176.540 176.870 -0.132 0.000 1.033 452 L CA 0.128 54.820 54.840 -0.246 0.000 0.807 452 L CB 0.996 42.979 42.059 -0.127 0.000 1.209 452 L HN 0.785 nan 8.230 nan 0.000 0.423 453 R N 3.079 123.532 120.500 -0.078 0.000 2.651 453 R HA 0.716 5.058 4.340 0.004 0.000 0.278 453 R C -1.341 175.010 176.300 0.085 0.000 1.010 453 R CA -0.358 55.763 56.100 0.035 0.000 0.896 453 R CB 1.998 32.361 30.300 0.105 0.000 1.211 453 R HN 0.735 nan 8.270 nan 0.000 0.456 454 T N 0.490 115.139 114.554 0.159 0.000 2.778 454 T HA 0.606 4.958 4.350 0.004 0.000 0.293 454 T C -1.130 173.741 174.700 0.285 0.000 1.144 454 T CA -0.231 61.986 62.100 0.195 0.000 1.010 454 T CB 1.635 70.604 68.868 0.169 0.000 1.325 454 T HN 0.778 nan 8.240 nan 0.000 0.515 455 T N -0.743 113.981 114.554 0.283 0.000 2.887 455 T HA 0.787 5.139 4.350 0.004 0.000 0.292 455 T C -0.906 174.010 174.700 0.360 0.000 1.087 455 T CA -0.620 61.663 62.100 0.306 0.000 1.009 455 T CB 1.391 70.365 68.868 0.176 0.000 1.203 455 T HN 0.958 nan 8.240 nan 0.000 0.518 456 S N -0.019 115.903 115.700 0.371 0.000 2.733 456 S HA 0.555 5.027 4.470 0.004 0.000 0.294 456 S C -0.845 173.848 174.600 0.154 0.000 1.149 456 S CA -0.738 57.640 58.200 0.297 0.000 1.034 456 S CB 1.252 64.749 63.200 0.495 0.000 1.015 456 S HN 0.787 nan 8.310 nan 0.000 0.486 457 T N 3.779 118.408 114.554 0.125 0.000 3.149 457 T HA 0.270 4.622 4.350 0.004 0.000 0.373 457 T C 1.274 176.022 174.700 0.081 0.000 1.364 457 T CA -0.460 61.676 62.100 0.060 0.000 1.110 457 T CB 0.780 69.710 68.868 0.104 0.000 1.127 457 T HN 0.511 nan 8.240 nan 0.000 0.576 458 V N 1.887 121.805 119.914 0.007 0.000 2.295 458 V HA -0.091 4.031 4.120 0.004 0.000 0.246 458 V C 1.190 177.353 176.094 0.115 0.000 1.049 458 V CA 1.795 64.116 62.300 0.035 0.000 1.024 458 V CB -0.304 31.456 31.823 -0.104 0.000 0.648 458 V HN 0.913 nan 8.190 nan 0.000 0.447 459 Y N -0.621 119.571 120.300 -0.180 0.000 2.975 459 Y HA 0.214 4.766 4.550 0.004 0.000 0.127 459 Y C 0.808 176.569 175.900 -0.231 0.000 0.925 459 Y CA -0.039 57.997 58.100 -0.106 0.000 1.894 459 Y CB 0.115 38.447 38.460 -0.213 0.000 1.270 459 Y HN 0.278 nan 8.280 nan 0.000 0.235 463 Y N 1.362 121.601 120.300 -0.102 0.000 2.326 463 Y HA 0.536 5.088 4.550 0.004 0.000 0.337 463 Y C 0.490 176.133 175.900 -0.429 0.000 1.023 463 Y CA -0.871 57.025 58.100 -0.340 0.000 1.143 463 Y CB 0.901 39.086 38.460 -0.458 0.000 1.183 463 Y HN 0.301 nan 8.280 nan 0.000 0.485 464 I N 3.458 123.871 120.570 -0.261 0.000 2.330 464 I HA 0.220 4.392 4.170 0.004 0.000 0.289 464 I C -1.117 174.844 176.117 -0.259 0.000 1.001 464 I CA -0.663 60.546 61.300 -0.152 0.000 1.193 464 I CB 0.782 38.760 38.000 -0.037 0.000 1.345 464 I HN 0.528 nan 8.210 nan 0.000 0.461 465 W N 5.310 126.643 121.300 0.055 0.000 2.329 465 W HA 0.405 5.067 4.660 0.004 0.000 0.312 465 W C -0.534 175.888 176.519 -0.162 0.000 1.054 465 W CA -0.492 56.806 57.345 -0.078 0.000 1.245 465 W CB 1.100 30.503 29.460 -0.094 0.000 1.255 465 W HN 0.313 nan 8.180 nan 0.000 0.436 466 D N 2.467 122.816 120.400 -0.086 0.000 2.350 466 D HA 0.441 5.084 4.640 0.004 0.000 0.245 466 D C -1.096 174.872 176.300 -0.553 0.000 1.036 466 D CA -0.623 53.252 54.000 -0.208 0.000 0.848 466 D CB 1.617 42.347 40.800 -0.116 0.000 1.307 466 D HN 0.055 nan 8.370 nan 0.000 0.469 467 F N 1.112 120.919 119.950 -0.238 0.000 2.482 467 F HA 0.533 5.062 4.527 0.003 0.000 0.331 467 F C 0.204 175.602 175.800 -0.669 0.000 1.115 467 F CA -0.850 56.857 58.000 -0.490 0.000 0.955 467 F CB 1.470 40.204 39.000 -0.443 0.000 1.136 467 F HN 0.014 nan 8.300 nan 0.000 0.452 468 I N 3.642 123.757 120.570 -0.758 0.000 2.498 468 I HA 0.394 4.566 4.170 0.004 0.000 0.290 468 I C -1.292 174.232 176.117 -0.988 0.000 1.032 468 I CA -0.566 60.319 61.300 -0.692 0.000 1.073 468 I CB 1.729 39.454 38.000 -0.460 0.000 1.251 468 I HN 0.354 nan 8.210 nan 0.000 0.426 469 F N 5.382 125.018 119.950 -0.522 0.000 2.460 469 F HA 0.491 5.020 4.527 0.003 0.000 0.341 469 F C -0.512 175.243 175.800 -0.075 0.000 1.130 469 F CA -0.679 57.005 58.000 -0.528 0.000 0.962 469 F CB 0.978 39.325 39.000 -1.088 0.000 1.171 469 F HN 0.218 nan 8.300 nan 0.000 0.436 470 Y N 3.303 123.836 120.300 0.388 0.000 2.376 470 Y HA 0.334 4.886 4.550 0.004 0.000 0.325 470 Y C -1.556 174.751 175.900 0.680 0.000 1.199 470 Y CA -2.167 56.193 58.100 0.434 0.000 1.206 470 Y CB 0.802 39.412 38.460 0.249 0.000 1.229 470 Y HN 0.366 nan 8.280 nan 0.000 0.480 471 P HA -0.112 nan 4.420 nan 0.000 0.230 471 P C 0.266 177.774 177.300 0.347 0.000 1.158 471 P CA 1.235 64.612 63.100 0.462 0.000 0.769 471 P CB 0.164 32.011 31.700 0.245 0.000 0.807 472 N N -0.980 117.861 118.700 0.235 0.000 2.295 472 N HA 0.124 4.866 4.740 0.004 0.000 0.221 472 N C 1.071 176.380 175.510 -0.335 0.000 1.129 472 N CA 0.287 53.316 53.050 -0.035 0.000 0.836 472 N CB -0.862 37.618 38.487 -0.012 0.000 1.040 472 N HN 0.100 nan 8.380 nan 0.000 0.494 473 G N -0.882 107.628 108.800 -0.483 0.000 2.157 473 G HA2 -0.253 3.709 3.960 0.004 0.000 0.248 473 G HA3 -0.253 3.709 3.960 0.004 0.000 0.248 473 G C -0.380 174.589 174.900 0.115 0.000 0.979 473 G CA 0.204 44.727 45.100 -0.962 0.000 0.650 473 G HN 0.301 nan 8.290 nan 0.000 0.529 474 V N 1.927 122.035 119.914 0.323 0.000 2.488 474 V HA 0.633 4.755 4.120 0.004 0.000 0.277 474 V C 0.707 177.099 176.094 0.497 0.000 1.046 474 V CA 0.129 62.614 62.300 0.308 0.000 0.986 474 V CB 1.642 33.449 31.823 -0.027 0.000 0.989 474 V HN 0.470 nan 8.190 nan 0.000 0.475 475 M N 4.545 124.324 119.600 0.298 0.000 2.508 475 M HA 0.597 5.079 4.480 0.004 0.000 0.327 475 M C -0.687 175.508 176.300 -0.176 0.000 1.160 475 M CA -0.413 54.821 55.300 -0.110 0.000 0.980 475 M CB 1.929 34.400 32.600 -0.215 0.000 1.693 475 M HN 0.809 nan 8.290 nan 0.000 0.452 476 E N 2.406 122.387 120.200 -0.366 0.000 2.314 476 E HA 0.701 5.053 4.350 0.004 0.000 0.272 476 E C -2.014 174.241 176.600 -0.575 0.000 0.884 476 E CA -0.696 55.468 56.400 -0.392 0.000 0.753 476 E CB 2.275 31.863 29.700 -0.187 0.000 1.213 476 E HN 0.799 nan 8.360 nan 0.000 0.432 477 A N 4.184 126.476 122.820 -0.881 0.000 2.330 477 A HA 0.642 4.964 4.320 0.004 0.000 0.327 477 A C -0.905 176.255 177.584 -0.707 0.000 1.155 477 A CA -0.570 50.905 52.037 -0.936 0.000 0.803 477 A CB 1.151 19.266 19.000 -1.475 0.000 1.208 477 A HN 0.508 nan 8.150 nan 0.000 0.477 478 K N 2.033 122.130 120.400 -0.505 0.000 2.498 478 K HA 0.535 4.857 4.320 0.004 0.000 0.254 478 K C -1.671 174.738 176.600 -0.319 0.000 0.933 478 K CA -0.643 55.408 56.287 -0.393 0.000 0.806 478 K CB 1.768 34.008 32.500 -0.433 0.000 1.301 478 K HN 0.720 nan 8.250 nan 0.000 0.432 479 M N 4.652 124.047 119.600 -0.342 0.000 2.253 479 M HA 0.333 4.815 4.480 0.004 0.000 0.314 479 M C -1.658 174.340 176.300 -0.503 0.000 1.019 479 M CA -0.343 54.669 55.300 -0.479 0.000 0.932 479 M CB 1.143 33.390 32.600 -0.587 0.000 1.606 479 M HN 0.738 nan 8.290 nan 0.000 0.430 480 H N 3.123 122.017 119.070 -0.294 0.000 2.466 480 H HA 0.640 5.198 4.556 0.003 0.000 0.338 480 H C -0.601 174.650 175.328 -0.129 0.000 1.091 480 H CA -0.777 55.160 56.048 -0.185 0.000 1.207 480 H CB 1.470 31.144 29.762 -0.146 0.000 1.466 480 H HN 0.786 nan 8.280 nan 0.000 0.493 481 A N 2.951 125.807 122.820 0.059 0.000 2.274 481 A HA 0.490 4.812 4.320 0.004 0.000 0.309 481 A C 0.397 178.015 177.584 0.057 0.000 1.226 481 A CA -0.289 51.825 52.037 0.130 0.000 0.853 481 A CB 1.136 20.227 19.000 0.152 0.000 1.146 481 A HN 0.722 nan 8.150 nan 0.000 0.518 482 T N 0.865 115.430 114.554 0.018 0.000 2.618 482 T HA 0.781 5.134 4.350 0.004 0.000 0.286 482 T C 0.382 175.039 174.700 -0.072 0.000 1.027 482 T CA 1.081 63.166 62.100 -0.025 0.000 1.063 482 T CB 0.744 69.590 68.868 -0.038 0.000 1.440 482 T HN 2.670 nan 8.240 nan 0.000 0.505 483 G N 0.048 108.783 108.800 -0.108 0.000 2.615 483 G HA2 -0.102 3.860 3.960 0.004 0.000 0.218 483 G HA3 -0.102 3.860 3.960 0.004 0.000 0.218 483 G C -1.401 173.363 174.900 -0.226 0.000 1.339 483 G CA -0.131 44.869 45.100 -0.166 0.000 0.884 483 G HN 0.838 nan 8.290 nan 0.000 0.559 484 Y N 0.059 120.235 120.300 -0.206 0.000 2.334 484 Y HA 0.479 5.032 4.550 0.004 0.000 0.328 484 Y C 1.344 177.155 175.900 -0.149 0.000 1.130 484 Y CA -0.037 57.947 58.100 -0.194 0.000 1.163 484 Y CB 1.542 39.784 38.460 -0.364 0.000 1.207 484 Y HN 0.795 nan 8.280 nan 0.000 0.471 485 V N -0.102 119.900 119.914 0.147 0.000 2.924 485 V HA 0.117 4.239 4.120 0.004 0.000 0.305 485 V C -0.103 176.071 176.094 0.133 0.000 1.073 485 V CA -0.739 61.651 62.300 0.150 0.000 1.098 485 V CB 0.544 32.461 31.823 0.156 0.000 1.000 485 V HN 0.811 nan 8.190 nan 0.000 0.484 486 H N 2.759 121.828 119.070 -0.001 0.000 2.878 486 H HA 0.674 5.232 4.556 0.004 0.000 0.290 486 H C 0.084 175.400 175.328 -0.020 0.000 1.065 486 H CA 0.724 56.736 56.048 -0.060 0.000 1.477 486 H CB 0.325 29.903 29.762 -0.307 0.000 1.484 486 H HN 1.243 nan 8.280 nan 0.000 0.504 487 A N 4.089 126.784 122.820 -0.209 0.000 2.454 487 A HA 0.690 5.012 4.320 0.004 0.000 0.302 487 A C -0.347 177.158 177.584 -0.132 0.000 1.079 487 A CA -0.166 51.815 52.037 -0.093 0.000 0.731 487 A CB 1.234 20.270 19.000 0.061 0.000 1.299 487 A HN 0.815 nan 8.150 nan 0.000 0.413 488 T N -1.913 112.630 114.554 -0.018 0.000 2.831 488 T HA 0.674 5.026 4.350 0.004 0.000 0.287 488 T C -0.504 174.340 174.700 0.239 0.000 1.070 488 T CA -0.554 61.569 62.100 0.039 0.000 1.010 488 T CB 0.792 69.590 68.868 -0.117 0.000 1.264 488 T HN 0.802 nan 8.240 nan 0.000 0.532 489 F N 1.998 122.036 119.950 0.147 0.000 2.495 489 F HA 0.416 4.946 4.527 0.004 0.000 0.365 489 F C 0.083 176.110 175.800 0.377 0.000 1.090 489 F CA -1.315 56.840 58.000 0.259 0.000 1.235 489 F CB 0.285 39.443 39.000 0.265 0.000 1.119 489 F HN 0.691 nan 8.300 nan 0.000 0.562 490 Y N 6.108 126.186 120.300 -0.371 0.000 2.526 490 Y HA 0.365 4.917 4.550 0.004 0.000 0.330 490 Y C 0.111 175.881 175.900 -0.217 0.000 1.156 490 Y CA 0.335 58.277 58.100 -0.262 0.000 1.419 490 Y CB 0.302 38.578 38.460 -0.308 0.000 1.250 490 Y HN 0.746 nan 8.280 nan 0.000 0.540 491 T N 3.191 117.198 114.554 -0.911 0.000 2.883 491 T HA 0.402 4.754 4.350 0.004 0.000 0.296 491 T C -2.415 171.577 174.700 -1.179 0.000 1.117 491 T CA -2.148 59.372 62.100 -0.966 0.000 1.006 491 T CB 1.958 70.719 68.868 -0.179 0.000 1.191 491 T HN 0.295 nan 8.240 nan 0.000 0.508 492 P HA -0.046 nan 4.420 nan 0.000 0.218 492 P C 1.051 178.232 177.300 -0.198 0.000 1.148 492 P CA 1.084 64.010 63.100 -0.291 0.000 0.822 492 P CB 0.045 31.684 31.700 -0.103 0.000 0.784 493 E N -0.724 119.374 120.200 -0.169 0.000 2.204 493 E HA -0.082 4.270 4.350 0.004 0.000 0.195 493 E C 2.200 178.730 176.600 -0.115 0.000 0.990 493 E CA 1.342 57.708 56.400 -0.057 0.000 0.821 493 E CB -1.401 28.341 29.700 0.070 0.000 0.750 493 E HN 0.248 nan 8.360 nan 0.000 0.477 494 G N 0.281 108.777 108.800 -0.507 0.000 2.509 494 G HA2 -0.190 3.772 3.960 0.004 0.000 0.218 494 G HA3 -0.190 3.772 3.960 0.004 0.000 0.218 494 G C 1.307 176.069 174.900 -0.229 0.000 1.124 494 G CA 0.247 44.843 45.100 -0.841 0.000 0.776 494 G HN 0.218 nan 8.290 nan 0.000 0.547 495 L N -0.343 120.800 121.223 -0.133 0.000 2.362 495 L HA 0.026 4.368 4.340 0.004 0.000 0.219 495 L C 2.841 179.672 176.870 -0.065 0.000 1.134 495 L CA 0.459 55.274 54.840 -0.041 0.000 0.807 495 L CB -0.201 41.856 42.059 -0.003 0.000 0.927 495 L HN 0.177 nan 8.230 nan 0.000 0.447 496 R N -0.951 119.479 120.500 -0.116 0.000 2.276 496 R HA -0.011 4.331 4.340 0.004 0.000 0.203 496 R C 0.656 176.685 176.300 -0.451 0.000 1.017 496 R CA 0.617 56.547 56.100 -0.283 0.000 1.010 496 R CB 0.021 30.091 30.300 -0.382 0.000 0.900 496 R HN 0.501 nan 8.270 nan 0.000 0.469 497 H N -1.154 117.927 119.070 0.018 0.000 2.750 497 H HA 0.358 4.916 4.556 0.004 0.000 0.252 497 H C 0.515 175.889 175.328 0.077 0.000 1.176 497 H CA 0.361 56.444 56.048 0.057 0.000 0.987 497 H CB 1.432 31.254 29.762 0.100 0.000 1.810 497 H HN 0.297 nan 8.280 nan 0.000 0.630 498 G N 0.112 108.985 108.800 0.122 0.000 2.327 498 G HA2 0.152 4.114 3.960 0.004 0.000 0.291 498 G HA3 0.152 4.114 3.960 0.004 0.000 0.291 498 G C -1.432 173.512 174.900 0.073 0.000 1.290 498 G CA -0.695 44.475 45.100 0.116 0.000 0.857 498 G HN 0.008 nan 8.290 nan 0.000 0.520 499 T N 0.362 114.963 114.554 0.079 0.000 2.848 499 T HA 0.557 4.910 4.350 0.004 0.000 0.285 499 T C 0.096 174.824 174.700 0.045 0.000 0.995 499 T CA -0.615 61.521 62.100 0.059 0.000 0.970 499 T CB 1.888 70.801 68.868 0.076 0.000 0.976 499 T HN 0.669 nan 8.240 nan 0.000 0.441 500 R N 3.148 123.653 120.500 0.008 0.000 2.421 500 R HA 0.241 4.583 4.340 0.004 0.000 0.305 500 R C 0.336 176.581 176.300 -0.091 0.000 1.039 500 R CA 0.029 56.086 56.100 -0.072 0.000 1.003 500 R CB 0.018 30.181 30.300 -0.228 0.000 0.959 500 R HN 0.661 nan 8.270 nan 0.000 0.427 501 L N 3.008 124.185 121.223 -0.078 0.000 2.672 501 L HA 0.280 4.622 4.340 0.004 0.000 0.236 501 L C 0.930 177.737 176.870 -0.105 0.000 1.092 501 L CA -0.125 54.680 54.840 -0.059 0.000 0.887 501 L CB 0.104 42.166 42.059 0.005 0.000 1.168 501 L HN 0.670 nan 8.230 nan 0.000 0.502 502 H N -1.577 117.300 119.070 -0.321 0.000 2.905 502 H HA 0.129 4.687 4.556 0.004 0.000 0.280 502 H C 0.239 175.282 175.328 -0.475 0.000 1.445 502 H CA -0.007 55.752 56.048 -0.481 0.000 1.165 502 H CB 1.675 30.938 29.762 -0.831 0.000 1.857 502 H HN -0.274 nan 8.280 nan 0.000 0.567 503 T N 0.019 114.249 114.554 -0.540 0.000 2.635 503 T HA -0.154 4.198 4.350 0.004 0.000 0.267 503 T C 0.892 175.222 174.700 -0.618 0.000 1.040 503 T CA 1.502 63.236 62.100 -0.611 0.000 1.156 503 T CB -0.268 68.207 68.868 -0.656 0.000 0.863 503 T HN 0.449 nan 8.240 nan 0.000 0.430 504 H N -0.485 118.511 119.070 -0.123 0.000 2.486 504 H HA 0.505 5.063 4.556 0.004 0.000 0.284 504 H C -0.604 174.651 175.328 -0.121 0.000 1.103 504 H CA -0.446 55.498 56.048 -0.172 0.000 1.089 504 H CB 0.119 29.881 29.762 0.000 0.000 1.603 504 H HN 0.166 nan 8.280 nan 0.000 0.557 505 L N 1.779 122.998 121.223 -0.007 0.000 2.376 505 L HA 0.402 4.744 4.340 0.004 0.000 0.275 505 L C -1.098 175.810 176.870 0.063 0.000 0.987 505 L CA -0.547 54.326 54.840 0.055 0.000 0.828 505 L CB 1.543 43.615 42.059 0.021 0.000 1.249 505 L HN -0.047 nan 8.230 nan 0.000 0.409 506 I N 4.100 124.750 120.570 0.134 0.000 2.354 506 I HA 0.402 4.574 4.170 0.004 0.000 0.292 506 I C 0.696 176.883 176.117 0.117 0.000 0.989 506 I CA -0.342 61.040 61.300 0.138 0.000 1.188 506 I CB 1.580 39.694 38.000 0.190 0.000 1.342 506 I HN 0.762 nan 8.210 nan 0.000 0.457 507 G N 5.668 114.528 108.800 0.100 0.000 2.356 507 G HA2 0.235 4.197 3.960 0.004 0.000 0.300 507 G HA3 0.235 4.197 3.960 0.004 0.000 0.300 507 G C -0.031 174.957 174.900 0.147 0.000 1.107 507 G CA -0.433 44.731 45.100 0.107 0.000 0.960 507 G HN 0.617 nan 8.290 nan 0.000 0.418 508 N N 1.136 119.949 118.700 0.189 0.000 2.492 508 N HA 0.086 4.828 4.740 0.004 0.000 0.262 508 N C 0.514 176.246 175.510 0.371 0.000 1.202 508 N CA -0.307 52.912 53.050 0.281 0.000 0.926 508 N CB 1.576 40.254 38.487 0.317 0.000 1.078 508 N HN 0.553 nan 8.380 nan 0.000 0.454 509 I N 3.487 124.214 120.570 0.261 0.000 2.710 509 I HA -0.013 4.159 4.170 0.004 0.000 0.286 509 I C -0.053 176.135 176.117 0.119 0.000 1.181 509 I CA 0.325 61.711 61.300 0.144 0.000 1.430 509 I CB 0.024 38.075 38.000 0.086 0.000 1.367 509 I HN 0.705 nan 8.210 nan 0.000 0.577 510 H N 2.960 121.879 119.070 -0.251 0.000 3.003 510 H HA 0.415 4.973 4.556 0.004 0.000 0.327 510 H C -1.636 173.452 175.328 -0.400 0.000 1.353 510 H CA -1.007 54.722 56.048 -0.532 0.000 1.142 510 H CB 1.037 30.011 29.762 -1.314 0.000 1.864 510 H HN 0.368 nan 8.280 nan 0.000 0.529 511 T N 1.872 116.188 114.554 -0.397 0.000 2.807 511 T HA 0.261 4.613 4.350 0.004 0.000 0.279 511 T C -0.402 174.068 174.700 -0.383 0.000 0.993 511 T CA -0.670 61.209 62.100 -0.368 0.000 0.970 511 T CB 0.826 69.554 68.868 -0.234 0.000 0.950 511 T HN 0.423 nan 8.240 nan 0.000 0.441 512 H N 3.007 121.841 119.070 -0.394 0.000 2.620 512 H HA 0.457 5.015 4.556 0.004 0.000 0.313 512 H C -0.479 174.746 175.328 -0.170 0.000 1.075 512 H CA -0.201 55.660 56.048 -0.311 0.000 1.397 512 H CB 1.000 30.379 29.762 -0.638 0.000 1.446 512 H HN 0.335 nan 8.280 nan 0.000 0.493 513 L N 3.540 124.831 121.223 0.113 0.000 2.410 513 L HA 0.407 4.749 4.340 0.004 0.000 0.270 513 L C -0.538 176.539 176.870 0.344 0.000 0.983 513 L CA -0.904 54.081 54.840 0.243 0.000 0.822 513 L CB 2.356 44.563 42.059 0.247 0.000 1.285 513 L HN 0.234 nan 8.230 nan 0.000 0.409 514 V N 1.459 121.566 119.914 0.322 0.000 2.604 514 V HA 0.402 4.524 4.120 0.004 0.000 0.305 514 V C -0.673 175.488 176.094 0.113 0.000 1.043 514 V CA -0.584 61.819 62.300 0.172 0.000 0.888 514 V CB 2.030 33.945 31.823 0.154 0.000 0.995 514 V HN 0.665 nan 8.190 nan 0.000 0.429 515 H N 3.428 122.220 119.070 -0.463 0.000 2.466 515 H HA 0.542 5.101 4.556 0.004 0.000 0.338 515 H C -1.725 173.379 175.328 -0.373 0.000 1.091 515 H CA -0.433 55.279 56.048 -0.560 0.000 1.207 515 H CB 1.422 30.309 29.762 -1.458 0.000 1.466 515 H HN 0.618 nan 8.280 nan 0.000 0.493 516 Y N 2.652 122.743 120.300 -0.348 0.000 2.429 516 Y HA 0.265 4.817 4.550 0.004 0.000 0.342 516 Y C 0.262 175.926 175.900 -0.394 0.000 1.004 516 Y CA -0.833 57.134 58.100 -0.221 0.000 1.075 516 Y CB 1.541 40.033 38.460 0.054 0.000 1.214 516 Y HN 0.469 nan 8.280 nan 0.000 0.455 517 R N 2.128 122.535 120.500 -0.156 0.000 2.265 517 R HA 0.664 5.006 4.340 0.004 0.000 0.319 517 R C -1.838 174.266 176.300 -0.328 0.000 1.006 517 R CA -0.433 55.388 56.100 -0.466 0.000 0.880 517 R CB 0.694 30.682 30.300 -0.520 0.000 1.077 517 R HN 0.574 nan 8.270 nan 0.000 0.454 518 V N 4.451 124.089 119.914 -0.460 0.000 2.383 518 V HA 0.089 4.211 4.120 0.004 0.000 0.264 518 V C -0.612 175.253 176.094 -0.382 0.000 1.001 518 V CA -0.797 61.295 62.300 -0.346 0.000 0.828 518 V CB 0.942 32.529 31.823 -0.393 0.000 1.069 518 V HN 0.730 nan 8.190 nan 0.000 0.451 519 D N 4.195 124.429 120.400 -0.276 0.000 2.508 519 D HA 0.227 4.869 4.640 0.004 0.000 0.224 519 D C 0.165 176.376 176.300 -0.148 0.000 1.171 519 D CA 0.036 53.932 54.000 -0.174 0.000 1.006 519 D CB 0.239 41.031 40.800 -0.013 0.000 1.073 519 D HN 0.435 nan 8.370 nan 0.000 0.513 520 L N 2.479 123.561 121.223 -0.236 0.000 2.410 520 L HA 0.185 4.528 4.340 0.004 0.000 0.273 520 L C 0.223 177.030 176.870 -0.106 0.000 1.152 520 L CA 0.092 54.803 54.840 -0.215 0.000 0.855 520 L CB 0.636 42.488 42.059 -0.344 0.000 1.129 520 L HN 0.145 nan 8.230 nan 0.000 0.463 521 D N 2.496 122.848 120.400 -0.080 0.000 2.456 521 D HA 0.190 4.832 4.640 0.004 0.000 0.287 521 D C -0.535 175.752 176.300 -0.022 0.000 1.186 521 D CA -0.167 53.810 54.000 -0.039 0.000 0.916 521 D CB 1.284 42.062 40.800 -0.037 0.000 1.029 521 D HN 0.020 nan 8.370 nan 0.000 0.498 522 V N 1.594 121.533 119.914 0.042 0.000 2.403 522 V HA 0.292 4.414 4.120 0.004 0.000 0.265 522 V C 1.273 177.489 176.094 0.203 0.000 1.034 522 V CA 0.046 62.420 62.300 0.123 0.000 1.036 522 V CB 0.189 32.156 31.823 0.240 0.000 1.032 522 V HN 0.719 nan 8.190 nan 0.000 0.478 523 A N 3.712 126.677 122.820 0.241 0.000 2.826 523 A HA 0.068 4.390 4.320 0.004 0.000 0.274 523 A C 1.100 178.727 177.584 0.072 0.000 1.443 523 A CA 1.299 53.448 52.037 0.187 0.000 0.833 523 A CB -1.490 17.587 19.000 0.129 0.000 1.023 523 A HN 2.560 nan 8.150 nan 0.000 0.600 524 G N -4.324 104.500 108.800 0.040 0.000 2.361 524 G HA2 0.433 4.395 3.960 0.004 0.000 0.331 524 G HA3 0.433 4.395 3.960 0.004 0.000 0.331 524 G C 0.259 175.158 174.900 -0.001 0.000 1.324 524 G CA 0.374 45.481 45.100 0.011 0.000 0.984 524 G HN 1.110 nan 8.290 nan 0.000 0.586 525 T N 0.187 114.726 114.554 -0.026 0.000 2.857 525 T HA 0.325 4.677 4.350 0.004 0.000 0.266 525 T C 1.573 176.265 174.700 -0.013 0.000 1.048 525 T CA 2.319 64.387 62.100 -0.054 0.000 1.139 525 T CB -0.286 68.525 68.868 -0.096 0.000 0.874 525 T HN 1.301 nan 8.240 nan 0.000 0.455 526 K N 2.395 122.800 120.400 0.009 0.000 2.284 526 K HA 0.517 4.839 4.320 0.004 0.000 0.287 526 K C -0.396 176.240 176.600 0.060 0.000 1.081 526 K CA -0.479 55.826 56.287 0.030 0.000 0.910 526 K CB -0.487 32.026 32.500 0.021 0.000 1.088 526 K HN 0.588 nan 8.250 nan 0.000 0.478 527 N N -0.314 118.439 118.700 0.088 0.000 2.509 527 N HA 0.624 5.366 4.740 0.004 0.000 0.280 527 N C -0.669 174.921 175.510 0.133 0.000 1.306 527 N CA -0.710 52.420 53.050 0.133 0.000 0.782 527 N CB 2.134 40.744 38.487 0.205 0.000 1.493 527 N HN 0.691 nan 8.380 nan 0.000 0.498 528 S N -0.417 115.371 115.700 0.147 0.000 2.745 528 S HA 0.698 5.170 4.470 0.004 0.000 0.306 528 S C -1.569 173.128 174.600 0.162 0.000 1.137 528 S CA -0.709 57.571 58.200 0.133 0.000 0.900 528 S CB 1.500 64.746 63.200 0.076 0.000 1.176 528 S HN 0.470 nan 8.310 nan 0.000 0.520 529 F N 1.607 121.510 119.950 -0.078 0.000 2.539 529 F HA 0.626 5.155 4.527 0.004 0.000 0.318 529 F C -0.835 174.897 175.800 -0.113 0.000 1.135 529 F CA -0.383 57.443 58.000 -0.289 0.000 0.915 529 F CB 1.796 40.522 39.000 -0.457 0.000 1.176 529 F HN 0.962 nan 8.300 nan 0.000 0.440 530 Q N 3.049 122.337 119.800 -0.853 0.000 2.456 530 Q HA 0.755 5.097 4.340 0.004 0.000 0.283 530 Q C -1.664 173.895 176.000 -0.734 0.000 1.084 530 Q CA -1.063 54.427 55.803 -0.522 0.000 0.801 530 Q CB 2.533 31.172 28.738 -0.166 0.000 1.434 530 Q HN 0.667 nan 8.270 nan 0.000 0.419 531 T N -0.634 113.760 114.554 -0.266 0.000 2.908 531 T HA 0.750 5.102 4.350 0.004 0.000 0.290 531 T C -0.501 174.168 174.700 -0.052 0.000 1.034 531 T CA -0.844 61.150 62.100 -0.177 0.000 1.010 531 T CB 1.029 69.891 68.868 -0.010 0.000 1.068 531 T HN 0.544 nan 8.240 nan 0.000 0.481 532 L N 1.112 122.312 121.223 -0.038 0.000 2.362 532 L HA 0.834 5.176 4.340 0.004 0.000 0.271 532 L C 0.229 177.108 176.870 0.014 0.000 1.002 532 L CA -0.941 53.871 54.840 -0.047 0.000 0.818 532 L CB 1.613 43.561 42.059 -0.184 0.000 1.298 532 L HN 1.028 nan 8.230 nan 0.000 0.420 533 Q N 3.049 122.852 119.800 0.006 0.000 2.423 533 Q HA 0.660 5.002 4.340 0.004 0.000 0.278 533 Q C -1.013 174.992 176.000 0.008 0.000 1.097 533 Q CA -0.787 55.036 55.803 0.033 0.000 0.809 533 Q CB 2.904 31.671 28.738 0.047 0.000 1.391 533 Q HN 0.642 nan 8.270 nan 0.000 0.428 534 M N 1.989 121.603 119.600 0.023 0.000 2.180 534 M HA 0.498 4.981 4.480 0.004 0.000 0.358 534 M C -0.987 175.326 176.300 0.021 0.000 1.233 534 M CA 0.040 55.349 55.300 0.015 0.000 1.114 534 M CB 0.548 33.162 32.600 0.023 0.000 1.594 534 M HN 0.829 nan 8.290 nan 0.000 0.467 535 K N 5.036 125.445 120.400 0.016 0.000 2.427 535 K HA 0.563 4.885 4.320 0.004 0.000 0.252 535 K C -1.530 175.080 176.600 0.016 0.000 0.931 535 K CA -0.688 55.610 56.287 0.018 0.000 0.793 535 K CB 1.942 34.452 32.500 0.017 0.000 1.211 535 K HN 0.774 nan 8.250 nan 0.000 0.426 536 L N 3.667 124.901 121.223 0.017 0.000 2.395 536 L HA 0.279 4.621 4.340 0.004 0.000 0.269 536 L C 0.384 177.262 176.870 0.014 0.000 1.133 536 L CA -0.172 54.678 54.840 0.016 0.000 0.812 536 L CB 0.992 43.061 42.059 0.017 0.000 1.125 536 L HN 0.736 nan 8.230 nan 0.000 0.452 537 E N 1.653 121.861 120.200 0.013 0.000 2.281 537 E HA 0.385 4.737 4.350 0.004 0.000 0.262 537 E C -1.071 175.534 176.600 0.009 0.000 0.933 537 E CA -0.996 55.411 56.400 0.011 0.000 0.809 537 E CB 1.959 31.665 29.700 0.011 0.000 1.242 537 E HN 0.358 nan 8.360 nan 0.000 0.418 538 N N 2.081 120.785 118.700 0.006 0.000 2.576 538 N HA 0.292 5.034 4.740 0.004 0.000 0.269 538 N C -1.210 174.298 175.510 -0.002 0.000 1.058 538 N CA -0.647 52.404 53.050 0.002 0.000 0.860 538 N CB 0.708 39.196 38.487 0.001 0.000 1.249 538 N HN 0.715 nan 8.380 nan 0.000 0.525 539 I N -1.112 119.456 120.570 -0.004 0.000 2.957 539 I HA 0.623 4.795 4.170 0.004 0.000 0.310 539 I C -0.074 176.030 176.117 -0.022 0.000 1.063 539 I CA -0.804 60.491 61.300 -0.008 0.000 1.033 539 I CB 1.772 39.772 38.000 -0.000 0.000 1.230 539 I HN 0.052 nan 8.210 nan 0.000 0.447 540 T N 2.851 117.388 114.554 -0.027 0.000 2.888 540 T HA 0.014 4.366 4.350 0.004 0.000 0.301 540 T C 0.351 175.011 174.700 -0.068 0.000 1.001 540 T CA 0.035 62.107 62.100 -0.047 0.000 1.147 540 T CB -0.330 68.514 68.868 -0.040 0.000 0.931 540 T HN 0.590 nan 8.240 nan 0.000 0.541 541 N N 4.545 123.172 118.700 -0.122 0.000 2.429 541 N HA 0.033 4.775 4.740 0.004 0.000 0.271 541 N C -1.752 173.616 175.510 -0.237 0.000 1.272 541 N CA -1.950 50.953 53.050 -0.246 0.000 0.921 541 N CB 1.132 39.360 38.487 -0.431 0.000 1.128 541 N HN 0.229 nan 8.380 nan 0.000 0.481 542 P HA 0.004 nan 4.420 nan 0.000 0.234 542 P C 0.525 177.895 177.300 0.116 0.000 1.167 542 P CA 0.872 63.991 63.100 0.032 0.000 0.763 542 P CB -0.114 31.660 31.700 0.123 0.000 0.835 543 W N -2.839 118.473 121.300 0.020 0.000 2.714 543 W HA 0.523 5.186 4.660 0.004 0.000 0.353 543 W C -0.473 176.064 176.519 0.031 0.000 0.999 543 W CA -0.181 57.175 57.345 0.018 0.000 1.629 543 W CB -0.212 29.251 29.460 0.006 0.000 1.106 543 W HN -0.109 nan 8.180 nan 0.000 0.545 544 S N 3.104 118.582 115.700 -0.369 0.000 2.356 544 S HA 0.304 4.776 4.470 0.004 0.000 0.171 544 S C -1.421 173.099 174.600 -0.132 0.000 1.399 544 S CA -0.854 57.196 58.200 -0.250 0.000 1.225 544 S CB 0.849 63.725 63.200 -0.540 0.000 1.271 544 S HN -0.246 nan 8.310 nan 0.000 0.427 545 P HA -0.096 nan 4.420 nan 0.000 0.221 545 P C 0.891 178.130 177.300 -0.102 0.000 1.145 545 P CA 0.758 63.815 63.100 -0.071 0.000 0.795 545 P CB 0.029 31.705 31.700 -0.040 0.000 0.775 546 R N -1.542 118.875 120.500 -0.138 0.000 2.339 546 R HA 0.027 4.369 4.340 0.004 0.000 0.199 546 R C 0.321 176.302 176.300 -0.531 0.000 1.018 546 R CA 0.375 56.290 56.100 -0.309 0.000 1.036 546 R CB -0.408 29.672 30.300 -0.367 0.000 0.899 546 R HN 0.476 nan 8.270 nan 0.000 0.473 547 H N -1.001 117.977 119.070 -0.152 0.000 2.797 547 H HA 0.442 5.000 4.556 0.004 0.000 0.362 547 H C -0.220 175.015 175.328 -0.156 0.000 1.183 547 H CA -0.937 55.014 56.048 -0.163 0.000 1.197 547 H CB 1.104 30.727 29.762 -0.231 0.000 1.835 547 H HN -0.275 nan 8.280 nan 0.000 0.567 548 R N 0.514 121.025 120.500 0.018 0.000 2.787 548 R HA 0.548 4.890 4.340 0.004 0.000 0.271 548 R C -1.166 175.113 176.300 -0.034 0.000 0.993 548 R CA -1.047 55.039 56.100 -0.023 0.000 0.993 548 R CB 1.892 32.184 30.300 -0.013 0.000 1.155 548 R HN 0.322 nan 8.270 nan 0.000 0.486 549 V N 2.068 121.964 119.914 -0.030 0.000 2.350 549 V HA 0.275 4.397 4.120 0.004 0.000 0.285 549 V C -0.298 175.798 176.094 0.004 0.000 1.014 549 V CA -0.818 61.477 62.300 -0.008 0.000 0.831 549 V CB 1.918 33.744 31.823 0.005 0.000 1.000 549 V HN 0.386 nan 8.190 nan 0.000 0.433 550 V N 6.915 126.835 119.914 0.010 0.000 2.318 550 V HA 0.531 4.653 4.120 0.004 0.000 0.271 550 V C -0.006 176.099 176.094 0.018 0.000 1.030 550 V CA -0.244 62.063 62.300 0.012 0.000 0.844 550 V CB 1.050 32.879 31.823 0.011 0.000 1.015 550 V HN 1.049 nan 8.190 nan 0.000 0.460 551 Q N 5.290 125.102 119.800 0.019 0.000 2.462 551 Q HA 0.652 4.994 4.340 0.004 0.000 0.285 551 Q C -3.127 172.884 176.000 0.020 0.000 1.035 551 Q CA -2.418 53.399 55.803 0.023 0.000 0.799 551 Q CB 2.599 31.355 28.738 0.029 0.000 1.452 551 Q HN 0.317 nan 8.270 nan 0.000 0.404 552 P HA 0.034 nan 4.420 nan 0.000 0.265 552 P C -0.720 176.587 177.300 0.013 0.000 1.193 552 P CA 0.382 63.492 63.100 0.016 0.000 0.765 552 P CB 0.702 32.411 31.700 0.015 0.000 0.823 553 T N 0.643 115.203 114.554 0.010 0.000 2.930 553 T HA 0.588 4.940 4.350 0.004 0.000 0.290 553 T C -0.666 174.034 174.700 -0.001 0.000 1.052 553 T CA -1.013 61.091 62.100 0.007 0.000 1.017 553 T CB 0.931 69.804 68.868 0.010 0.000 1.137 553 T HN 0.150 nan 8.240 nan 0.000 0.511 554 L N 1.475 122.695 121.223 -0.005 0.000 2.257 554 L HA 0.567 4.909 4.340 0.004 0.000 0.290 554 L C -0.034 176.830 176.870 -0.009 0.000 1.044 554 L CA -0.231 54.598 54.840 -0.019 0.000 0.810 554 L CB 0.474 42.520 42.059 -0.023 0.000 1.193 554 L HN 0.904 nan 8.230 nan 0.000 0.425 555 E N 4.175 124.368 120.200 -0.011 0.000 2.171 555 E HA 0.315 4.667 4.350 0.004 0.000 0.271 555 E C -1.360 175.235 176.600 -0.008 0.000 0.916 555 E CA -0.615 55.783 56.400 -0.003 0.000 0.774 555 E CB 1.263 30.966 29.700 0.005 0.000 1.128 555 E HN 0.740 nan 8.360 nan 0.000 0.403 556 Q N 2.533 122.330 119.800 -0.005 0.000 2.333 556 Q HA 0.360 4.703 4.340 0.004 0.000 0.267 556 Q C -1.472 174.520 176.000 -0.014 0.000 1.012 556 Q CA -0.545 55.253 55.803 -0.008 0.000 0.824 556 Q CB 1.868 30.607 28.738 0.001 0.000 1.290 556 Q HN 0.441 nan 8.270 nan 0.000 0.449 557 T N 3.923 118.472 114.554 -0.009 0.000 2.792 557 T HA 0.362 4.714 4.350 0.004 0.000 0.280 557 T C -0.942 173.720 174.700 -0.063 0.000 0.990 557 T CA -0.823 61.239 62.100 -0.064 0.000 0.960 557 T CB 1.362 70.179 68.868 -0.086 0.000 0.939 557 T HN 0.462 nan 8.240 nan 0.000 0.439 558 Q N 2.008 121.729 119.800 -0.133 0.000 2.222 558 Q HA 0.455 4.797 4.340 0.004 0.000 0.252 558 Q C -1.184 174.714 176.000 -0.169 0.000 0.926 558 Q CA -0.515 55.259 55.803 -0.049 0.000 0.899 558 Q CB 1.452 30.165 28.738 -0.041 0.000 1.250 558 Q HN 0.646 nan 8.270 nan 0.000 0.441 559 Y N -0.493 119.798 120.300 -0.014 0.000 2.376 559 Y HA 0.266 4.818 4.550 0.003 0.000 0.340 559 Y C 0.900 176.770 175.900 -0.050 0.000 0.965 559 Y CA -0.476 57.653 58.100 0.048 0.000 1.078 559 Y CB 2.200 40.796 38.460 0.228 0.000 1.193 559 Y HN 0.562 nan 8.280 nan 0.000 0.452 560 S N 1.285 116.951 115.700 -0.057 0.000 2.514 560 S HA 0.146 4.618 4.470 0.004 0.000 0.223 560 S C -0.838 173.330 174.600 -0.719 0.000 1.046 560 S CA -0.017 57.881 58.200 -0.503 0.000 0.914 560 S CB 0.317 63.052 63.200 -0.775 0.000 0.807 560 S HN 0.633 nan 8.310 nan 0.000 0.497 561 W N 1.329 122.698 121.300 0.114 0.000 2.936 561 W HA 0.503 5.165 4.660 0.004 0.000 0.338 561 W C 0.742 177.306 176.519 0.076 0.000 1.121 561 W CA -0.829 56.563 57.345 0.080 0.000 1.209 561 W CB 0.630 30.120 29.460 0.050 0.000 1.420 561 W HN -0.115 nan 8.180 nan 0.000 0.516 562 E N 0.452 120.820 120.200 0.280 0.000 2.086 562 E HA -0.331 4.021 4.350 0.004 0.000 0.200 562 E C 2.016 178.663 176.600 0.079 0.000 1.012 562 E CA 1.710 58.192 56.400 0.137 0.000 0.812 562 E CB 0.023 29.782 29.700 0.098 0.000 0.743 562 E HN 0.235 nan 8.360 nan 0.000 0.453 563 R N 1.386 121.951 120.500 0.107 0.000 2.120 563 R HA -0.142 4.200 4.340 0.004 0.000 0.234 563 R C 1.891 178.207 176.300 0.026 0.000 1.123 563 R CA 1.579 57.704 56.100 0.041 0.000 0.975 563 R CB -0.245 30.088 30.300 0.055 0.000 0.866 563 R HN 0.263 nan 8.270 nan 0.000 0.446 564 Q N -1.065 118.806 119.800 0.118 0.000 2.224 564 Q HA 0.007 4.349 4.340 0.004 0.000 0.203 564 Q C 1.184 177.211 176.000 0.044 0.000 0.970 564 Q CA 1.458 57.346 55.803 0.141 0.000 0.865 564 Q CB 0.044 28.943 28.738 0.269 0.000 0.922 564 Q HN 0.409 nan 8.270 nan 0.000 0.445 565 A N 0.146 122.933 122.820 -0.055 0.000 2.423 565 A HA 0.479 4.801 4.320 0.004 0.000 0.246 565 A C 0.484 177.765 177.584 -0.505 0.000 1.278 565 A CA -0.092 51.711 52.037 -0.389 0.000 0.903 565 A CB 0.359 19.204 19.000 -0.259 0.000 0.997 565 A HN 0.183 nan 8.150 nan 0.000 0.510 566 A N 0.462 123.035 122.820 -0.411 0.000 2.478 566 A HA 0.638 4.960 4.320 0.004 0.000 0.327 566 A C -0.777 176.723 177.584 -0.140 0.000 1.431 566 A CA -0.358 51.500 52.037 -0.299 0.000 1.014 566 A CB -0.716 18.043 19.000 -0.400 0.000 1.143 566 A HN 0.279 nan 8.150 nan 0.000 0.532 567 F N 2.167 122.219 119.950 0.170 0.000 2.421 567 F HA 0.390 4.919 4.527 0.004 0.000 0.358 567 F C 1.157 177.073 175.800 0.193 0.000 1.115 567 F CA -0.013 58.090 58.000 0.172 0.000 1.160 567 F CB 1.020 40.076 39.000 0.093 0.000 1.123 567 F HN 0.524 nan 8.300 nan 0.000 0.508 568 R N 2.062 122.734 120.500 0.287 0.000 2.580 568 R HA 0.290 4.632 4.340 0.004 0.000 0.267 568 R C 0.654 176.967 176.300 0.022 0.000 1.125 568 R CA -0.576 55.575 56.100 0.085 0.000 1.188 568 R CB 0.512 30.864 30.300 0.086 0.000 1.155 568 R HN 0.608 nan 8.270 nan 0.000 0.586 569 F N 0.946 120.939 119.950 0.072 0.000 2.456 569 F HA -0.093 4.436 4.527 0.003 0.000 0.298 569 F C 2.603 178.442 175.800 0.065 0.000 1.104 569 F CA 1.406 59.446 58.000 0.067 0.000 1.435 569 F CB -0.076 38.936 39.000 0.020 0.000 1.078 569 F HN 0.633 nan 8.300 nan 0.000 0.546 570 K N 1.187 121.716 120.400 0.215 0.000 2.001 570 K HA 0.078 4.400 4.320 0.004 0.000 0.208 570 K C 1.557 178.245 176.600 0.146 0.000 1.048 570 K CA 1.132 57.510 56.287 0.150 0.000 0.932 570 K CB -1.661 30.905 32.500 0.111 0.000 0.715 570 K HN 0.255 nan 8.250 nan 0.000 0.437 571 R N 0.939 121.534 120.500 0.159 0.000 2.619 571 R HA 0.448 4.790 4.340 0.004 0.000 0.268 571 R C 0.762 177.164 176.300 0.170 0.000 0.990 571 R CA 0.527 56.735 56.100 0.180 0.000 1.092 571 R CB -1.682 28.767 30.300 0.249 0.000 0.935 571 R HN 1.115 nan 8.270 nan 0.000 0.415 572 K N 2.241 122.731 120.400 0.149 0.000 2.416 572 K HA 0.448 4.770 4.320 0.004 0.000 0.283 572 K C 0.079 176.745 176.600 0.110 0.000 1.037 572 K CA -0.201 56.156 56.287 0.117 0.000 0.995 572 K CB 0.664 33.224 32.500 0.100 0.000 0.938 572 K HN 0.672 nan 8.250 nan 0.000 0.475 573 L N 4.856 126.103 121.223 0.040 0.000 2.313 573 L HA 0.319 4.661 4.340 0.004 0.000 0.282 573 L C -2.016 174.802 176.870 -0.086 0.000 1.092 573 L CA -2.006 52.780 54.840 -0.091 0.000 0.831 573 L CB 0.893 42.885 42.059 -0.111 0.000 1.159 573 L HN 0.601 nan 8.230 nan 0.000 0.442 574 P HA 0.046 nan 4.420 nan 0.000 0.267 574 P C 0.461 177.725 177.300 -0.061 0.000 1.200 574 P CA -0.074 63.001 63.100 -0.040 0.000 0.772 574 P CB 0.397 32.086 31.700 -0.018 0.000 0.855 575 K N 0.267 120.674 120.400 0.011 0.000 2.283 575 K HA -0.041 4.281 4.320 0.004 0.000 0.202 575 K C 0.227 176.743 176.600 -0.140 0.000 1.048 575 K CA 1.154 57.432 56.287 -0.015 0.000 0.948 575 K CB -0.666 31.890 32.500 0.093 0.000 0.742 575 K HN 0.510 nan 8.250 nan 0.000 0.458 576 Y N -0.088 120.127 120.300 -0.140 0.000 2.363 576 Y HA 0.440 4.992 4.550 0.003 0.000 0.325 576 Y C -0.418 175.341 175.900 -0.235 0.000 0.984 576 Y CA -1.236 56.732 58.100 -0.221 0.000 1.248 576 Y CB 1.046 39.319 38.460 -0.312 0.000 1.116 576 Y HN -0.086 nan 8.280 nan 0.000 0.470 577 L N 5.943 127.095 121.223 -0.118 0.000 2.277 577 L HA 0.546 4.888 4.340 0.004 0.000 0.284 577 L C -0.885 175.976 176.870 -0.014 0.000 1.028 577 L CA -0.339 54.462 54.840 -0.064 0.000 0.835 577 L CB 0.716 42.827 42.059 0.087 0.000 1.215 577 L HN 0.442 nan 8.230 nan 0.000 0.425 578 L N 3.477 124.545 121.223 -0.259 0.000 2.341 578 L HA 0.549 4.891 4.340 0.004 0.000 0.278 578 L C -0.949 175.811 176.870 -0.185 0.000 1.005 578 L CA -0.409 54.360 54.840 -0.118 0.000 0.818 578 L CB 1.806 43.768 42.059 -0.161 0.000 1.259 578 L HN 0.342 nan 8.230 nan 0.000 0.418 579 F N 1.031 121.103 119.950 0.204 0.000 2.388 579 F HA 0.447 4.976 4.527 0.003 0.000 0.358 579 F C 0.732 176.653 175.800 0.202 0.000 1.122 579 F CA -0.624 57.520 58.000 0.239 0.000 1.056 579 F CB 1.955 41.084 39.000 0.214 0.000 1.155 579 F HN 0.371 nan 8.300 nan 0.000 0.461 580 T N -0.723 113.989 114.554 0.263 0.000 2.918 580 T HA 0.651 5.003 4.350 0.004 0.000 0.286 580 T C -0.302 174.511 174.700 0.187 0.000 1.026 580 T CA -0.865 61.360 62.100 0.209 0.000 1.031 580 T CB 1.851 70.795 68.868 0.126 0.000 1.046 580 T HN 0.467 nan 8.240 nan 0.000 0.479 581 S N 1.334 117.132 115.700 0.162 0.000 2.549 581 S HA 0.541 5.013 4.470 0.004 0.000 0.297 581 S C -1.765 172.869 174.600 0.057 0.000 1.115 581 S CA -1.965 56.298 58.200 0.105 0.000 1.059 581 S CB 1.052 64.308 63.200 0.093 0.000 1.046 581 S HN 0.597 nan 8.310 nan 0.000 0.506 582 P HA -0.063 nan 4.420 nan 0.000 0.222 582 P C -0.232 177.061 177.300 -0.012 0.000 1.147 582 P CA 0.873 63.980 63.100 0.011 0.000 0.790 582 P CB -0.077 31.625 31.700 0.005 0.000 0.780 583 Q N 0.652 120.434 119.800 -0.030 0.000 2.330 583 Q HA 0.096 4.438 4.340 0.004 0.000 0.279 583 Q C 0.099 176.053 176.000 -0.076 0.000 1.024 583 Q CA 0.452 56.214 55.803 -0.068 0.000 0.900 583 Q CB 0.343 29.017 28.738 -0.107 0.000 1.221 583 Q HN 0.321 nan 8.270 nan 0.000 0.396 584 E N 1.871 122.019 120.200 -0.087 0.000 2.248 584 E HA 0.108 4.460 4.350 0.004 0.000 0.272 584 E C -0.306 176.212 176.600 -0.137 0.000 1.008 584 E CA -0.821 55.528 56.400 -0.085 0.000 0.856 584 E CB 0.875 30.527 29.700 -0.080 0.000 1.120 584 E HN 0.538 nan 8.360 nan 0.000 0.397 585 N N 1.719 120.343 118.700 -0.126 0.000 2.285 585 N HA 0.073 4.815 4.740 0.004 0.000 0.262 585 N C -2.145 173.167 175.510 -0.329 0.000 1.299 585 N CA -1.425 51.502 53.050 -0.206 0.000 0.930 585 N CB -0.342 38.073 38.487 -0.119 0.000 1.157 585 N HN 0.064 nan 8.380 nan 0.000 0.532 586 P HA 0.063 nan 4.420 nan 0.000 0.234 586 P C -0.115 176.670 177.300 -0.857 0.000 1.167 586 P CA 0.995 63.578 63.100 -0.861 0.000 0.763 586 P CB -0.142 30.806 31.700 -1.253 0.000 0.835 587 W N -1.684 119.618 121.300 0.003 0.000 3.132 587 W HA 0.463 5.125 4.660 0.004 0.000 0.364 587 W C 1.062 177.563 176.519 -0.030 0.000 1.129 587 W CA -0.052 57.307 57.345 0.024 0.000 1.815 587 W CB -0.154 29.358 29.460 0.086 0.000 1.099 587 W HN -0.073 nan 8.180 nan 0.000 0.605 588 G N 0.612 109.413 108.800 0.002 0.000 2.132 588 G HA2 -0.237 3.725 3.960 0.004 0.000 0.234 588 G HA3 -0.237 3.725 3.960 0.004 0.000 0.234 588 G C -0.173 174.571 174.900 -0.259 0.000 0.989 588 G CA -0.436 44.583 45.100 -0.135 0.000 0.676 588 G HN 0.412 nan 8.290 nan 0.000 0.522 589 H N 0.394 119.480 119.070 0.026 0.000 2.469 589 H HA 0.415 4.973 4.556 0.004 0.000 0.342 589 H C 0.064 175.395 175.328 0.005 0.000 1.115 589 H CA -0.402 55.661 56.048 0.025 0.000 1.204 589 H CB 1.591 31.370 29.762 0.029 0.000 1.492 589 H HN 0.107 nan 8.280 nan 0.000 0.499 590 K N 2.445 122.927 120.400 0.136 0.000 2.448 590 K HA 0.084 4.406 4.320 0.004 0.000 0.278 590 K C 0.566 177.232 176.600 0.110 0.000 1.009 590 K CA -0.260 56.081 56.287 0.090 0.000 0.995 590 K CB 0.032 32.590 32.500 0.097 0.000 0.917 590 K HN 0.543 nan 8.250 nan 0.000 0.481 591 R N 1.433 121.959 120.500 0.042 0.000 2.401 591 R HA 0.228 4.570 4.340 0.004 0.000 0.299 591 R C 0.405 176.853 176.300 0.247 0.000 1.064 591 R CA 0.042 56.164 56.100 0.038 0.000 1.000 591 R CB 0.529 30.684 30.300 -0.241 0.000 0.973 591 R HN 0.849 nan 8.270 nan 0.000 0.438 592 S N 2.019 117.950 115.700 0.384 0.000 2.596 592 S HA 0.448 4.920 4.470 0.004 0.000 0.270 592 S C -1.585 173.245 174.600 0.383 0.000 1.155 592 S CA -0.949 57.500 58.200 0.416 0.000 0.827 592 S CB 1.253 64.662 63.200 0.348 0.000 1.130 592 S HN 0.480 nan 8.310 nan 0.000 0.467 593 Y N 0.591 121.037 120.300 0.243 0.000 2.409 593 Y HA 0.621 5.173 4.550 0.004 0.000 0.343 593 Y C 0.287 176.322 175.900 0.224 0.000 0.973 593 Y CA -0.606 57.590 58.100 0.159 0.000 1.064 593 Y CB 1.945 40.421 38.460 0.025 0.000 1.207 593 Y HN 0.855 nan 8.280 nan 0.000 0.452 594 R N 4.257 124.880 120.500 0.205 0.000 2.346 594 R HA 0.530 4.872 4.340 0.004 0.000 0.311 594 R C -1.772 174.627 176.300 0.166 0.000 0.983 594 R CA -0.862 55.315 56.100 0.129 0.000 0.880 594 R CB 0.853 31.129 30.300 -0.041 0.000 1.100 594 R HN 0.659 nan 8.270 nan 0.000 0.453 595 L N 3.749 125.088 121.223 0.193 0.000 2.282 595 L HA 0.361 4.703 4.340 0.004 0.000 0.288 595 L C -1.050 175.853 176.870 0.054 0.000 1.033 595 L CA 0.126 55.055 54.840 0.148 0.000 0.807 595 L CB 1.525 43.689 42.059 0.176 0.000 1.209 595 L HN 0.705 nan 8.230 nan 0.000 0.423 596 Q N 4.844 124.681 119.800 0.061 0.000 2.310 596 Q HA 0.557 4.899 4.340 0.004 0.000 0.270 596 Q C -1.517 174.539 176.000 0.093 0.000 1.025 596 Q CA -0.437 55.373 55.803 0.013 0.000 0.772 596 Q CB 1.527 30.243 28.738 -0.036 0.000 1.253 596 Q HN 0.761 nan 8.270 nan 0.000 0.450 597 I N 2.995 123.609 120.570 0.073 0.000 2.353 597 I HA 0.222 4.394 4.170 0.004 0.000 0.293 597 I C -0.523 175.680 176.117 0.143 0.000 0.992 597 I CA -0.762 60.617 61.300 0.132 0.000 1.268 597 I CB 1.097 39.148 38.000 0.084 0.000 1.387 597 I HN 0.655 nan 8.210 nan 0.000 0.478 598 H N 5.510 124.628 119.070 0.081 0.000 2.623 598 H HA 0.577 5.136 4.556 0.004 0.000 0.299 598 H C -0.899 174.477 175.328 0.079 0.000 1.052 598 H CA 0.014 56.089 56.048 0.045 0.000 1.231 598 H CB 0.931 30.690 29.762 -0.005 0.000 1.389 598 H HN 0.560 nan 8.280 nan 0.000 0.469 599 S N 3.759 119.303 115.700 -0.259 0.000 2.565 599 S HA 0.315 4.787 4.470 0.004 0.000 0.269 599 S C -0.408 174.124 174.600 -0.112 0.000 1.153 599 S CA -0.745 57.387 58.200 -0.113 0.000 0.835 599 S CB 1.021 64.294 63.200 0.121 0.000 1.122 599 S HN 0.696 nan 8.310 nan 0.000 0.462 600 M N 2.371 121.954 119.600 -0.028 0.000 2.347 600 M HA 0.464 4.946 4.480 0.004 0.000 0.302 600 M C 0.483 176.782 176.300 -0.002 0.000 1.051 600 M CA -0.005 55.291 55.300 -0.008 0.000 0.988 600 M CB 0.524 33.127 32.600 0.004 0.000 1.475 600 M HN 0.607 nan 8.290 nan 0.000 0.530 601 A N 0.649 123.478 122.820 0.015 0.000 2.406 601 A HA 0.434 4.756 4.320 0.004 0.000 0.243 601 A C -0.089 177.157 177.584 -0.564 0.000 1.082 601 A CA 0.209 52.147 52.037 -0.165 0.000 0.786 601 A CB 0.277 19.267 19.000 -0.016 0.000 1.029 601 A HN 0.347 nan 8.150 nan 0.000 0.495 602 D N -1.445 118.405 120.400 -0.916 0.000 2.677 602 D HA 0.350 4.992 4.640 0.004 0.000 0.298 602 D C -0.987 174.721 176.300 -0.988 0.000 1.250 602 D CA -0.440 52.929 54.000 -1.051 0.000 0.888 602 D CB 1.227 41.790 40.800 -0.395 0.000 1.397 602 D HN 0.419 nan 8.370 nan 0.000 0.461 603 Q N 0.533 120.024 119.800 -0.516 0.000 2.271 603 Q HA 0.266 4.608 4.340 0.004 0.000 0.273 603 Q C -0.005 175.878 176.000 -0.195 0.000 1.051 603 Q CA 0.419 56.092 55.803 -0.216 0.000 0.901 603 Q CB 0.995 29.709 28.738 -0.040 0.000 1.174 603 Q HN 0.277 nan 8.270 nan 0.000 0.385 604 V N 4.258 124.063 119.914 -0.181 0.000 2.484 604 V HA 0.115 4.237 4.120 0.004 0.000 0.236 604 V C 0.744 176.781 176.094 -0.095 0.000 1.062 604 V CA 0.470 62.684 62.300 -0.144 0.000 1.081 604 V CB -0.236 31.493 31.823 -0.156 0.000 0.751 604 V HN 0.638 nan 8.190 nan 0.000 0.484 605 L N 1.559 122.730 121.223 -0.088 0.000 2.379 605 L HA 0.394 4.736 4.340 0.004 0.000 0.269 605 L C -2.458 174.402 176.870 -0.018 0.000 1.084 605 L CA -1.743 53.077 54.840 -0.033 0.000 0.802 605 L CB 0.660 42.709 42.059 -0.016 0.000 1.175 605 L HN 0.141 nan 8.230 nan 0.000 0.448 606 P HA 0.201 nan 4.420 nan 0.000 0.276 606 P C -2.532 174.809 177.300 0.070 0.000 1.235 606 P CA -1.538 61.580 63.100 0.030 0.000 0.772 606 P CB -0.027 31.681 31.700 0.013 0.000 0.871 607 P HA 0.053 nan 4.420 nan 0.000 0.261 607 P C 1.129 178.478 177.300 0.082 0.000 1.183 607 P CA 1.339 64.455 63.100 0.028 0.000 0.761 607 P CB -0.025 31.678 31.700 0.006 0.000 0.785 608 G N 2.113 110.961 108.800 0.080 0.000 2.213 608 G HA2 -0.203 3.760 3.960 0.004 0.000 0.236 608 G HA3 -0.203 3.760 3.960 0.004 0.000 0.236 608 G C -0.321 174.667 174.900 0.147 0.000 0.991 608 G CA -0.509 44.650 45.100 0.098 0.000 0.629 608 G HN 0.591 nan 8.290 nan 0.000 0.517 609 W N 2.867 124.168 121.300 0.002 0.000 2.387 609 W HA 0.474 5.136 4.660 0.004 0.000 0.310 609 W C 0.964 177.506 176.519 0.039 0.000 1.181 609 W CA 0.263 57.620 57.345 0.021 0.000 1.333 609 W CB 0.360 29.826 29.460 0.011 0.000 1.286 609 W HN 0.430 nan 8.180 nan 0.000 0.455 610 Q N 2.805 122.171 119.800 -0.724 0.000 2.398 610 Q HA -0.379 3.963 4.340 0.004 0.000 0.434 610 Q C 1.289 177.166 176.000 -0.206 0.000 0.559 610 Q CA 2.878 58.380 55.803 -0.501 0.000 0.984 610 Q CB -1.115 27.155 28.738 -0.780 0.000 2.232 610 Q HN 0.675 nan 8.270 nan 0.000 0.978 611 E N 1.093 121.147 120.200 -0.243 0.000 2.418 611 E HA -0.064 4.288 4.350 0.004 0.000 0.197 611 E C 1.640 178.106 176.600 -0.223 0.000 1.026 611 E CA 0.775 56.946 56.400 -0.381 0.000 0.862 611 E CB -0.080 29.403 29.700 -0.362 0.000 0.799 611 E HN 0.354 nan 8.360 nan 0.000 0.518 612 E N 0.824 120.952 120.200 -0.119 0.000 2.265 612 E HA -0.259 4.093 4.350 0.004 0.000 0.196 612 E C 1.644 178.168 176.600 -0.127 0.000 0.996 612 E CA 0.757 57.094 56.400 -0.106 0.000 0.832 612 E CB 0.143 29.828 29.700 -0.026 0.000 0.756 612 E HN 0.190 nan 8.360 nan 0.000 0.491 613 Q N 0.277 120.011 119.800 -0.109 0.000 2.234 613 Q HA -0.097 4.245 4.340 0.004 0.000 0.206 613 Q C 1.751 177.706 176.000 -0.075 0.000 0.980 613 Q CA 1.699 57.453 55.803 -0.083 0.000 0.869 613 Q CB -0.408 28.291 28.738 -0.065 0.000 0.912 613 Q HN 0.317 nan 8.270 nan 0.000 0.436 614 A N -0.036 122.727 122.820 -0.095 0.000 2.067 614 A HA 0.080 4.402 4.320 0.004 0.000 0.217 614 A C 1.254 178.864 177.584 0.043 0.000 1.156 614 A CA 1.019 53.076 52.037 0.034 0.000 0.683 614 A CB -0.328 18.661 19.000 -0.018 0.000 0.808 614 A HN 0.520 nan 8.150 nan 0.000 0.455 615 I N -3.678 116.753 120.570 -0.232 0.000 2.913 615 I HA 0.243 4.415 4.170 0.004 0.000 0.334 615 I C 0.904 176.533 176.117 -0.812 0.000 1.449 615 I CA 0.273 61.134 61.300 -0.732 0.000 0.867 615 I CB 0.106 37.635 38.000 -0.785 0.000 1.918 615 I HN 0.023 nan 8.210 nan 0.000 0.556 616 T N -2.009 112.302 114.554 -0.406 0.000 2.995 616 T HA -0.124 4.228 4.350 0.004 0.000 0.269 616 T C 1.538 176.159 174.700 -0.132 0.000 1.091 616 T CA 1.001 62.980 62.100 -0.202 0.000 1.128 616 T CB -0.428 68.432 68.868 -0.014 0.000 0.891 616 T HN 0.767 nan 8.240 nan 0.000 0.492 617 W N 2.004 123.171 121.300 -0.223 0.000 2.350 617 W HA 0.126 4.788 4.660 0.003 0.000 0.289 617 W C 1.916 178.223 176.519 -0.353 0.000 1.215 617 W CA 0.474 57.420 57.345 -0.665 0.000 1.236 617 W CB -1.170 27.331 29.460 -1.599 0.000 1.130 617 W HN 0.383 nan 8.180 nan 0.000 0.541 618 A N 1.493 123.946 122.820 -0.612 0.000 2.239 618 A HA -0.007 4.316 4.320 0.004 0.000 0.209 618 A C 2.064 179.615 177.584 -0.055 0.000 1.171 618 A CA 0.498 52.333 52.037 -0.338 0.000 0.768 618 A CB -0.725 17.806 19.000 -0.783 0.000 0.790 618 A HN 0.371 nan 8.150 nan 0.000 0.478 619 R N -1.600 118.749 120.500 -0.252 0.000 2.193 619 R HA 0.013 4.355 4.340 0.004 0.000 0.213 619 R C -0.680 175.262 176.300 -0.597 0.000 1.055 619 R CA 0.660 56.491 56.100 -0.448 0.000 0.995 619 R CB -0.032 29.723 30.300 -0.908 0.000 0.893 619 R HN 0.580 nan 8.270 nan 0.000 0.459 620 Y N 0.179 120.466 120.300 -0.022 0.000 2.338 620 Y HA 0.265 4.817 4.550 0.003 0.000 0.328 620 Y C -1.730 174.043 175.900 -0.213 0.000 0.965 620 Y CA -3.213 54.808 58.100 -0.130 0.000 1.208 620 Y CB 1.490 39.998 38.460 0.080 0.000 1.132 620 Y HN -0.153 nan 8.280 nan 0.000 0.469 621 P HA -0.140 nan 4.420 nan 0.000 0.216 621 P C -0.137 177.203 177.300 0.066 0.000 1.150 621 P CA 1.160 64.137 63.100 -0.206 0.000 0.837 621 P CB 0.924 32.416 31.700 -0.346 0.000 0.786 622 L N -1.375 119.935 121.223 0.145 0.000 2.470 622 L HA 0.744 5.086 4.340 0.004 0.000 0.268 622 L C -1.648 175.418 176.870 0.326 0.000 0.964 622 L CA -1.114 53.859 54.840 0.220 0.000 0.839 622 L CB 1.974 44.125 42.059 0.153 0.000 1.276 622 L HN -0.093 nan 8.230 nan 0.000 0.403 623 A N 4.178 127.176 122.820 0.298 0.000 2.475 623 A HA 0.873 5.195 4.320 0.004 0.000 0.301 623 A C -1.691 176.076 177.584 0.305 0.000 1.059 623 A CA -0.585 51.578 52.037 0.210 0.000 0.710 623 A CB 2.028 21.126 19.000 0.163 0.000 1.288 623 A HN 0.534 nan 8.150 nan 0.000 0.408 624 V N 2.031 122.033 119.914 0.146 0.000 2.448 624 V HA 0.705 4.827 4.120 0.004 0.000 0.295 624 V C 0.280 176.494 176.094 0.200 0.000 1.025 624 V CA -0.068 62.331 62.300 0.164 0.000 0.859 624 V CB 1.510 33.291 31.823 -0.071 0.000 0.988 624 V HN 1.149 nan 8.190 nan 0.000 0.431 625 T N 1.194 115.939 114.554 0.319 0.000 2.908 625 T HA 0.577 4.930 4.350 0.004 0.000 0.290 625 T C -0.498 174.316 174.700 0.190 0.000 1.034 625 T CA -0.931 61.316 62.100 0.244 0.000 1.010 625 T CB 1.883 70.949 68.868 0.330 0.000 1.068 625 T HN 0.605 nan 8.240 nan 0.000 0.481 626 K N 1.514 121.990 120.400 0.128 0.000 2.350 626 K HA 0.150 4.472 4.320 0.004 0.000 0.279 626 K C -0.595 176.066 176.600 0.102 0.000 1.027 626 K CA -0.672 55.685 56.287 0.117 0.000 0.969 626 K CB 0.220 32.775 32.500 0.090 0.000 0.954 626 K HN 0.703 nan 8.250 nan 0.000 0.474 627 Y N 4.048 124.360 120.300 0.020 0.000 2.597 627 Y HA 0.025 4.577 4.550 0.004 0.000 0.336 627 Y C -0.207 175.680 175.900 -0.022 0.000 1.216 627 Y CA 0.609 58.707 58.100 -0.004 0.000 1.463 627 Y CB 0.568 39.011 38.460 -0.028 0.000 1.303 627 Y HN 0.710 nan 8.280 nan 0.000 0.576 628 R N 4.474 124.490 120.500 -0.806 0.000 2.563 628 R HA 0.147 4.489 4.340 0.004 0.000 0.262 628 R C 0.015 175.940 176.300 -0.624 0.000 1.128 628 R CA -0.595 55.206 56.100 -0.497 0.000 0.969 628 R CB 1.101 31.235 30.300 -0.277 0.000 1.251 628 R HN 0.713 nan 8.270 nan 0.000 0.442 629 E N 1.105 121.119 120.200 -0.310 0.000 2.204 629 E HA -0.110 4.242 4.350 0.004 0.000 0.195 629 E C 1.010 177.549 176.600 -0.102 0.000 0.990 629 E CA 1.876 58.190 56.400 -0.142 0.000 0.821 629 E CB 0.182 29.897 29.700 0.024 0.000 0.750 629 E HN 0.672 nan 8.360 nan 0.000 0.477 630 S N -0.039 115.589 115.700 -0.120 0.000 2.603 630 S HA 0.030 4.502 4.470 0.004 0.000 0.220 630 S C 0.883 175.409 174.600 -0.123 0.000 0.967 630 S CA 0.135 58.292 58.200 -0.071 0.000 0.920 630 S CB -0.013 63.156 63.200 -0.051 0.000 0.773 630 S HN 0.158 nan 8.310 nan 0.000 0.529 631 E N 0.671 120.705 120.200 -0.276 0.000 3.385 631 E HA 0.337 4.689 4.350 0.004 0.000 0.206 631 E C 0.267 176.806 176.600 -0.101 0.000 0.997 631 E CA -0.097 56.013 56.400 -0.484 0.000 1.278 631 E CB 0.358 29.352 29.700 -1.178 0.000 1.165 631 E HN 0.388 nan 8.360 nan 0.000 0.452 632 L N -0.365 120.885 121.223 0.046 0.000 2.313 632 L HA 0.093 4.436 4.340 0.004 0.000 0.214 632 L C 0.664 177.745 176.870 0.352 0.000 1.119 632 L CA 0.519 55.445 54.840 0.144 0.000 0.809 632 L CB 0.122 42.253 42.059 0.121 0.000 0.933 632 L HN 0.253 nan 8.230 nan 0.000 0.449 633 C N -1.257 118.305 119.300 0.437 0.000 2.712 633 C HA 0.308 4.770 4.460 0.004 0.000 0.308 633 C C 1.491 176.784 174.990 0.506 0.000 1.201 633 C CA -0.669 58.617 59.018 0.447 0.000 1.554 633 C CB 1.887 29.788 27.740 0.268 0.000 2.117 633 C HN 0.383 nan 8.230 nan 0.000 0.480 634 S N 0.076 116.015 115.700 0.398 0.000 2.517 634 S HA 0.156 4.628 4.470 0.004 0.000 0.214 634 S C 0.538 175.140 174.600 0.003 0.000 0.991 634 S CA 0.174 58.479 58.200 0.175 0.000 0.906 634 S CB 0.129 63.356 63.200 0.044 0.000 0.789 634 S HN 0.709 nan 8.310 nan 0.000 0.513 635 S N 0.376 116.026 115.700 -0.084 0.000 2.911 635 S HA 0.854 5.326 4.470 0.004 0.000 0.319 635 S C -1.110 173.346 174.600 -0.240 0.000 1.154 635 S CA 0.069 58.001 58.200 -0.446 0.000 0.857 635 S CB 1.625 64.648 63.200 -0.294 0.000 1.279 635 S HN 0.844 nan 8.310 nan 0.000 0.593 636 S N -0.369 115.200 115.700 -0.218 0.000 2.611 636 S HA 0.330 4.802 4.470 0.004 0.000 0.268 636 S C 0.717 175.392 174.600 0.126 0.000 1.156 636 S CA -0.292 57.994 58.200 0.143 0.000 0.817 636 S CB -0.032 63.439 63.200 0.452 0.000 1.122 636 S HN 1.070 nan 8.310 nan 0.000 0.466 637 I N -1.312 119.237 120.570 -0.035 0.000 2.916 637 I HA 0.046 4.218 4.170 0.004 0.000 0.267 637 I C 1.152 177.144 176.117 -0.210 0.000 1.263 637 I CA 0.928 62.144 61.300 -0.141 0.000 1.471 637 I CB -0.602 37.283 38.000 -0.192 0.000 1.089 637 I HN 0.669 nan 8.210 nan 0.000 0.468 638 Y N -0.121 120.310 120.300 0.218 0.000 2.478 638 Y HA 0.108 4.660 4.550 0.004 0.000 0.261 638 Y C 2.250 178.220 175.900 0.117 0.000 1.127 638 Y CA 0.196 58.373 58.100 0.128 0.000 1.288 638 Y CB -0.544 37.975 38.460 0.098 0.000 1.084 638 Y HN 0.127 nan 8.280 nan 0.000 0.530 639 H N 0.102 119.271 119.070 0.166 0.000 2.353 639 H HA -0.200 4.358 4.556 0.004 0.000 0.300 639 H C 2.182 177.542 175.328 0.054 0.000 1.090 639 H CA 1.939 58.052 56.048 0.108 0.000 1.327 639 H CB -0.149 29.689 29.762 0.127 0.000 1.383 639 H HN 0.263 nan 8.280 nan 0.000 0.508 640 Q N 0.618 120.539 119.800 0.201 0.000 2.077 640 Q HA -0.140 4.202 4.340 0.004 0.000 0.206 640 Q C 1.136 177.159 176.000 0.038 0.000 0.989 640 Q CA 1.936 57.824 55.803 0.143 0.000 0.853 640 Q CB -0.037 28.808 28.738 0.179 0.000 0.907 640 Q HN 0.348 nan 8.270 nan 0.000 0.418 641 N N -0.160 118.553 118.700 0.022 0.000 2.280 641 N HA 0.034 4.777 4.740 0.004 0.000 0.192 641 N C -0.726 174.826 175.510 0.070 0.000 1.109 641 N CA 0.441 53.497 53.050 0.011 0.000 0.855 641 N CB 0.641 39.102 38.487 -0.043 0.000 0.974 641 N HN 0.191 nan 8.380 nan 0.000 0.482 642 D N 0.204 120.639 120.400 0.057 0.000 2.552 642 D HA 0.196 4.839 4.640 0.004 0.000 0.285 642 D C -2.005 174.250 176.300 -0.073 0.000 1.206 642 D CA -1.727 52.347 54.000 0.123 0.000 0.826 642 D CB 1.251 42.180 40.800 0.214 0.000 1.179 642 D HN -0.022 nan 8.370 nan 0.000 0.508 643 P HA -0.017 nan 4.420 nan 0.000 0.229 643 P C 1.433 178.490 177.300 -0.405 0.000 1.160 643 P CA 0.415 63.248 63.100 -0.444 0.000 0.777 643 P CB 0.130 31.442 31.700 -0.647 0.000 0.814 644 W N 0.375 121.637 121.300 -0.064 0.000 2.453 644 W HA 0.041 4.703 4.660 0.004 0.000 0.289 644 W C 0.486 176.953 176.519 -0.087 0.000 1.215 644 W CA 0.717 58.009 57.345 -0.089 0.000 1.297 644 W CB -0.581 28.826 29.460 -0.088 0.000 1.113 644 W HN 0.078 nan 8.180 nan 0.000 0.551 645 D N -0.518 119.968 120.400 0.144 0.000 2.879 645 D HA 0.189 4.831 4.640 0.004 0.000 0.351 645 D C -2.503 173.710 176.300 -0.145 0.000 1.239 645 D CA -1.899 52.118 54.000 0.028 0.000 0.771 645 D CB 0.609 41.485 40.800 0.125 0.000 1.176 645 D HN -0.173 nan 8.370 nan 0.000 0.496 646 P HA 0.260 nan 4.420 nan 0.000 0.276 646 P C -1.967 175.109 177.300 -0.373 0.000 1.252 646 P CA -1.030 61.800 63.100 -0.450 0.000 0.802 646 P CB 0.932 32.109 31.700 -0.870 0.000 1.035 647 P HA 0.016 nan 4.420 nan 0.000 0.233 647 P C -0.051 177.266 177.300 0.028 0.000 1.167 647 P CA 0.803 63.816 63.100 -0.146 0.000 0.770 647 P CB 0.374 32.050 31.700 -0.040 0.000 0.837 648 V N 0.458 120.451 119.914 0.131 0.000 2.567 648 V HA 0.212 4.334 4.120 0.004 0.000 0.298 648 V C -0.387 175.800 176.094 0.154 0.000 1.047 648 V CA -0.774 61.646 62.300 0.200 0.000 0.880 648 V CB 2.775 34.795 31.823 0.329 0.000 1.009 648 V HN -0.340 nan 8.190 nan 0.000 0.429 649 V N 5.178 125.058 119.914 -0.057 0.000 2.334 649 V HA 0.275 4.397 4.120 0.004 0.000 0.281 649 V C 0.755 176.592 176.094 -0.429 0.000 1.016 649 V CA -0.234 61.990 62.300 -0.128 0.000 0.832 649 V CB 1.116 32.873 31.823 -0.110 0.000 0.999 649 V HN 0.865 nan 8.190 nan 0.000 0.439 650 F N 3.678 123.302 119.950 -0.543 0.000 2.126 650 F HA -0.181 4.348 4.527 0.004 0.000 0.299 650 F C 2.147 177.510 175.800 -0.729 0.000 1.096 650 F CA 2.348 59.790 58.000 -0.931 0.000 1.255 650 F CB 0.164 38.885 39.000 -0.465 0.000 0.997 650 F HN 0.661 nan 8.300 nan 0.000 0.479 651 E N 0.527 120.528 120.200 -0.331 0.000 2.147 651 E HA -0.296 4.057 4.350 0.004 0.000 0.199 651 E C 2.049 178.245 176.600 -0.672 0.000 1.005 651 E CA 1.970 58.184 56.400 -0.309 0.000 0.810 651 E CB -0.426 29.233 29.700 -0.069 0.000 0.736 651 E HN 0.645 nan 8.360 nan 0.000 0.460 652 Q N -1.130 118.216 119.800 -0.757 0.000 2.226 652 Q HA -0.140 4.202 4.340 0.004 0.000 0.204 652 Q C 1.602 177.381 176.000 -0.367 0.000 0.975 652 Q CA 1.070 56.382 55.803 -0.820 0.000 0.866 652 Q CB -0.177 28.359 28.738 -0.338 0.000 0.915 652 Q HN 0.363 nan 8.270 nan 0.000 0.440 653 F N 0.111 119.738 119.950 -0.538 0.000 2.365 653 F HA -0.097 4.432 4.527 0.003 0.000 0.300 653 F C 1.738 177.314 175.800 -0.373 0.000 1.090 653 F CA 0.709 58.431 58.000 -0.464 0.000 1.408 653 F CB -0.470 38.117 39.000 -0.688 0.000 1.060 653 F HN 0.072 nan 8.300 nan 0.000 0.534 654 L N -1.844 119.227 121.223 -0.254 0.000 2.477 654 L HA -0.004 4.339 4.340 0.004 0.000 0.220 654 L C 2.167 179.047 176.870 0.016 0.000 1.106 654 L CA 0.286 55.044 54.840 -0.138 0.000 0.851 654 L CB -0.811 41.131 42.059 -0.195 0.000 0.994 654 L HN 0.165 nan 8.230 nan 0.000 0.462 655 H N 1.363 120.412 119.070 -0.035 0.000 2.319 655 H HA -0.179 4.380 4.556 0.004 0.000 0.297 655 H C 1.743 177.066 175.328 -0.008 0.000 1.097 655 H CA 1.604 57.642 56.048 -0.016 0.000 1.285 655 H CB 0.058 29.813 29.762 -0.010 0.000 1.368 655 H HN 0.492 nan 8.280 nan 0.000 0.495 656 N N 0.824 119.607 118.700 0.139 0.000 2.521 656 N HA -0.131 4.611 4.740 0.004 0.000 0.188 656 N C -0.070 175.485 175.510 0.075 0.000 1.146 656 N CA 0.564 53.664 53.050 0.083 0.000 0.893 656 N CB -0.446 38.086 38.487 0.074 0.000 0.975 656 N HN 0.197 nan 8.380 nan 0.000 0.451 657 N N 1.018 119.769 118.700 0.085 0.000 2.686 657 N HA -0.219 4.523 4.740 0.004 0.000 0.261 657 N C -1.255 174.395 175.510 0.232 0.000 1.001 657 N CA 0.555 53.673 53.050 0.114 0.000 0.764 657 N CB -1.091 37.414 38.487 0.030 0.000 0.898 657 N HN 0.566 nan 8.380 nan 0.000 0.544 658 E N 0.251 120.590 120.200 0.232 0.000 2.374 658 E HA 0.077 4.429 4.350 0.004 0.000 0.260 658 E C 0.476 177.303 176.600 0.379 0.000 1.101 658 E CA -0.752 55.817 56.400 0.282 0.000 0.907 658 E CB 0.455 30.251 29.700 0.161 0.000 1.014 658 E HN 0.358 nan 8.360 nan 0.000 0.427 659 N N 2.209 121.097 118.700 0.314 0.000 2.483 659 N HA -0.013 4.729 4.740 0.004 0.000 0.264 659 N C 0.034 175.522 175.510 -0.037 0.000 1.197 659 N CA 0.231 53.245 53.050 -0.060 0.000 0.927 659 N CB 0.481 38.850 38.487 -0.197 0.000 1.065 659 N HN 0.468 nan 8.380 nan 0.000 0.461 660 I N -0.501 120.010 120.570 -0.098 0.000 3.707 660 I HA 0.378 4.550 4.170 0.004 0.000 0.330 660 I C -0.650 175.460 176.117 -0.011 0.000 1.572 660 I CA -0.585 60.716 61.300 0.002 0.000 1.104 660 I CB 0.166 38.209 38.000 0.072 0.000 1.240 660 I HN 0.215 nan 8.210 nan 0.000 0.475 661 E N 2.044 122.191 120.200 -0.089 0.000 2.174 661 E HA 0.320 4.672 4.350 0.004 0.000 0.282 661 E C -0.381 176.206 176.600 -0.021 0.000 0.992 661 E CA -0.755 55.610 56.400 -0.059 0.000 0.803 661 E CB 0.527 30.154 29.700 -0.122 0.000 1.090 661 E HN 0.240 nan 8.360 nan 0.000 0.396 662 N N 2.651 121.358 118.700 0.013 0.000 2.688 662 N HA -0.216 4.526 4.740 0.004 0.000 0.258 662 N C -0.732 174.793 175.510 0.025 0.000 1.016 662 N CA 1.115 54.178 53.050 0.021 0.000 0.747 662 N CB -0.683 37.807 38.487 0.006 0.000 0.895 662 N HN 0.554 nan 8.380 nan 0.000 0.543 663 E N 0.192 120.419 120.200 0.044 0.000 2.416 663 E HA 0.343 4.696 4.350 0.004 0.000 0.273 663 E C -1.387 175.252 176.600 0.064 0.000 0.935 663 E CA -0.770 55.660 56.400 0.051 0.000 0.784 663 E CB 1.060 30.793 29.700 0.055 0.000 1.301 663 E HN 0.072 nan 8.360 nan 0.000 0.454 664 D N 2.273 122.707 120.400 0.057 0.000 2.342 664 D HA 0.168 4.810 4.640 0.004 0.000 0.260 664 D C -0.664 175.703 176.300 0.112 0.000 1.278 664 D CA 0.192 54.221 54.000 0.049 0.000 0.910 664 D CB -0.071 40.724 40.800 -0.008 0.000 1.079 664 D HN 0.353 nan 8.370 nan 0.000 0.496 665 L N 2.836 124.126 121.223 0.111 0.000 2.344 665 L HA 0.541 4.883 4.340 0.004 0.000 0.272 665 L C -0.179 176.737 176.870 0.077 0.000 1.035 665 L CA -1.183 53.741 54.840 0.140 0.000 0.807 665 L CB 1.932 44.125 42.059 0.222 0.000 1.237 665 L HN 0.050 nan 8.230 nan 0.000 0.442 666 V N 1.491 121.442 119.914 0.063 0.000 2.483 666 V HA 0.560 4.682 4.120 0.004 0.000 0.297 666 V C 0.080 176.083 176.094 -0.152 0.000 1.027 666 V CA -0.632 61.594 62.300 -0.123 0.000 0.855 666 V CB 1.631 33.350 31.823 -0.173 0.000 0.995 666 V HN 0.865 nan 8.190 nan 0.000 0.424 667 A N 4.589 127.214 122.820 -0.324 0.000 2.309 667 A HA 0.793 5.115 4.320 0.004 0.000 0.298 667 A C -1.320 176.093 177.584 -0.285 0.000 1.165 667 A CA -0.285 51.618 52.037 -0.223 0.000 0.821 667 A CB 0.454 19.171 19.000 -0.471 0.000 1.102 667 A HN 0.812 nan 8.150 nan 0.000 0.500 668 W N 1.422 122.698 121.300 -0.039 0.000 2.600 668 W HA 0.550 5.213 4.660 0.004 0.000 0.325 668 W C -0.920 175.533 176.519 -0.110 0.000 1.034 668 W CA -0.537 56.737 57.345 -0.118 0.000 1.226 668 W CB 2.028 31.527 29.460 0.066 0.000 1.379 668 W HN 0.414 nan 8.180 nan 0.000 0.466 669 V N 2.946 122.837 119.914 -0.039 0.000 2.487 669 V HA 0.492 4.615 4.120 0.004 0.000 0.298 669 V C -0.217 176.033 176.094 0.259 0.000 1.028 669 V CA -0.779 61.532 62.300 0.019 0.000 0.860 669 V CB 1.747 33.382 31.823 -0.314 0.000 0.991 669 V HN 0.500 nan 8.190 nan 0.000 0.427 670 T N 5.053 119.848 114.554 0.401 0.000 2.767 670 T HA 0.609 4.961 4.350 0.004 0.000 0.284 670 T C -0.155 174.821 174.700 0.460 0.000 0.973 670 T CA -0.320 62.111 62.100 0.552 0.000 0.996 670 T CB 1.314 70.567 68.868 0.643 0.000 0.927 670 T HN 0.699 nan 8.240 nan 0.000 0.456 671 V N 0.756 120.939 119.914 0.449 0.000 3.046 671 V HA 1.117 5.239 4.120 0.004 0.000 0.316 671 V C 0.130 176.422 176.094 0.330 0.000 1.104 671 V CA -0.613 61.913 62.300 0.376 0.000 1.006 671 V CB 1.615 33.657 31.823 0.365 0.000 1.058 671 V HN 1.102 nan 8.190 nan 0.000 0.440 672 G N 1.076 110.039 108.800 0.271 0.000 2.320 672 G HA2 0.673 4.635 3.960 0.004 0.000 0.296 672 G HA3 0.673 4.635 3.960 0.004 0.000 0.296 672 G C -1.619 173.457 174.900 0.293 0.000 1.306 672 G CA -0.117 45.122 45.100 0.232 0.000 0.836 672 G HN 2.096 nan 8.290 nan 0.000 0.517 673 F N -1.520 118.458 119.950 0.047 0.000 2.650 673 F HA 0.732 5.261 4.527 0.004 0.000 0.310 673 F C -0.954 174.854 175.800 0.012 0.000 1.112 673 F CA -1.466 56.537 58.000 0.006 0.000 0.986 673 F CB 1.439 40.434 39.000 -0.007 0.000 1.285 673 F HN 0.598 nan 8.300 nan 0.000 0.440 674 L N 3.809 125.062 121.223 0.050 0.000 2.490 674 L HA 0.257 4.599 4.340 0.004 0.000 0.274 674 L C -0.598 176.338 176.870 0.109 0.000 1.201 674 L CA 0.612 55.431 54.840 -0.035 0.000 0.869 674 L CB 0.066 42.111 42.059 -0.023 0.000 1.123 674 L HN 0.883 nan 8.230 nan 0.000 0.484 675 H N 5.716 124.629 119.070 -0.262 0.000 2.860 675 H HA 0.419 4.978 4.556 0.004 0.000 0.312 675 H C -0.963 174.230 175.328 -0.226 0.000 0.995 675 H CA -0.974 54.971 56.048 -0.172 0.000 1.311 675 H CB 0.819 30.417 29.762 -0.273 0.000 1.478 675 H HN 0.636 nan 8.280 nan 0.000 0.508 676 I N 8.069 128.758 120.570 0.199 0.000 2.291 676 I HA 0.209 4.382 4.170 0.004 0.000 0.290 676 I C -2.181 174.099 176.117 0.272 0.000 1.050 676 I CA -2.022 59.353 61.300 0.125 0.000 1.245 676 I CB 1.242 39.305 38.000 0.105 0.000 1.405 676 I HN 0.469 nan 8.210 nan 0.000 0.478 677 P HA 0.126 nan 4.420 nan 0.000 0.269 677 P C -1.257 176.192 177.300 0.248 0.000 1.215 677 P CA 0.175 63.363 63.100 0.146 0.000 0.780 677 P CB 0.393 32.107 31.700 0.023 0.000 0.898 678 H N -3.108 116.050 119.070 0.147 0.000 2.985 678 H HA 0.450 5.008 4.556 0.004 0.000 0.360 678 H C 0.888 176.262 175.328 0.077 0.000 1.221 678 H CA -0.857 55.244 56.048 0.088 0.000 1.121 678 H CB 0.484 30.294 29.762 0.079 0.000 1.854 678 H HN 0.192 nan 8.280 nan 0.000 0.551 679 S N -0.019 115.736 115.700 0.092 0.000 2.419 679 S HA -0.221 4.251 4.470 0.004 0.000 0.235 679 S C 1.109 175.708 174.600 -0.001 0.000 1.019 679 S CA 1.533 59.747 58.200 0.023 0.000 0.982 679 S CB -0.493 62.719 63.200 0.020 0.000 0.789 679 S HN 0.708 nan 8.310 nan 0.000 0.490 680 E N 1.553 121.766 120.200 0.021 0.000 2.338 680 E HA -0.022 4.330 4.350 0.004 0.000 0.197 680 E C 1.111 177.646 176.600 -0.109 0.000 1.007 680 E CA 0.815 57.216 56.400 0.002 0.000 0.849 680 E CB -0.298 29.484 29.700 0.138 0.000 0.774 680 E HN 0.522 nan 8.360 nan 0.000 0.506 681 D N -0.057 120.205 120.400 -0.231 0.000 2.378 681 D HA -0.049 4.593 4.640 0.004 0.000 0.227 681 D C -0.044 176.220 176.300 -0.059 0.000 1.012 681 D CA 0.486 54.401 54.000 -0.142 0.000 0.905 681 D CB 0.215 40.958 40.800 -0.096 0.000 0.895 681 D HN 0.135 nan 8.370 nan 0.000 0.532 682 I N 2.215 122.766 120.570 -0.032 0.000 2.321 682 I HA 0.106 4.278 4.170 0.004 0.000 0.291 682 I C -1.178 174.918 176.117 -0.035 0.000 0.998 682 I CA -1.868 59.445 61.300 0.023 0.000 1.227 682 I CB 1.464 39.531 38.000 0.112 0.000 1.368 682 I HN -0.226 nan 8.210 nan 0.000 0.466 683 P HA 0.031 nan 4.420 nan 0.000 0.230 683 P C 0.057 177.145 177.300 -0.353 0.000 1.168 683 P CA 0.705 63.713 63.100 -0.154 0.000 0.793 683 P CB 0.866 32.395 31.700 -0.284 0.000 0.851 684 N N -0.902 117.558 118.700 -0.400 0.000 2.229 684 N HA 0.212 4.954 4.740 0.004 0.000 0.298 684 N C -0.699 174.709 175.510 -0.170 0.000 1.114 684 N CA -0.469 52.350 53.050 -0.384 0.000 0.776 684 N CB 1.809 40.035 38.487 -0.435 0.000 1.501 684 N HN -0.247 nan 8.380 nan 0.000 0.474 685 T N 1.467 115.977 114.554 -0.074 0.000 2.946 685 T HA 0.202 4.555 4.350 0.004 0.000 0.311 685 T C 0.142 174.816 174.700 -0.044 0.000 1.063 685 T CA -0.022 62.077 62.100 -0.002 0.000 1.139 685 T CB 0.581 69.523 68.868 0.122 0.000 0.994 685 T HN 0.528 nan 8.240 nan 0.000 0.547 686 A N 2.200 124.997 122.820 -0.039 0.000 2.330 686 A HA 0.631 4.953 4.320 0.004 0.000 0.329 686 A C 1.512 179.072 177.584 -0.040 0.000 1.135 686 A CA -0.388 51.625 52.037 -0.040 0.000 0.817 686 A CB 0.789 19.770 19.000 -0.032 0.000 1.269 686 A HN 0.877 nan 8.150 nan 0.000 0.469 687 T N -1.934 112.598 114.554 -0.037 0.000 2.985 687 T HA 0.092 4.444 4.350 0.004 0.000 0.266 687 T C -1.601 173.077 174.700 -0.035 0.000 1.076 687 T CA 0.287 62.371 62.100 -0.027 0.000 1.135 687 T CB -1.448 67.403 68.868 -0.028 0.000 0.890 687 T HN 0.420 nan 8.240 nan 0.000 0.480 688 P HA 0.325 nan 4.420 nan 0.000 0.266 688 P C 1.053 178.308 177.300 -0.074 0.000 1.215 688 P CA 1.091 64.165 63.100 -0.043 0.000 0.763 688 P CB 0.060 31.741 31.700 -0.031 0.000 0.806 689 G N 3.317 112.062 108.800 -0.091 0.000 2.168 689 G HA2 -0.263 3.699 3.960 0.004 0.000 0.263 689 G HA3 -0.263 3.699 3.960 0.004 0.000 0.263 689 G C 0.505 175.245 174.900 -0.267 0.000 0.977 689 G CA -0.255 44.766 45.100 -0.132 0.000 0.659 689 G HN 0.554 nan 8.290 nan 0.000 0.533 690 N N 0.569 119.090 118.700 -0.298 0.000 2.610 690 N HA 0.375 5.117 4.740 0.004 0.000 0.309 690 N C 0.095 175.337 175.510 -0.445 0.000 1.536 690 N CA 0.666 53.380 53.050 -0.560 0.000 0.954 690 N CB 0.949 39.219 38.487 -0.362 0.000 1.310 690 N HN 0.729 nan 8.380 nan 0.000 0.502 691 S N -1.029 114.462 115.700 -0.348 0.000 2.568 691 S HA 0.825 5.297 4.470 0.004 0.000 0.293 691 S C -0.165 174.360 174.600 -0.126 0.000 1.089 691 S CA -0.593 57.440 58.200 -0.279 0.000 0.945 691 S CB 2.198 65.172 63.200 -0.376 0.000 1.077 691 S HN -0.048 nan 8.310 nan 0.000 0.485 692 V N -1.318 118.565 119.914 -0.050 0.000 3.130 692 V HA 1.075 5.197 4.120 0.004 0.000 0.310 692 V C 0.349 176.492 176.094 0.081 0.000 1.158 692 V CA 0.016 62.401 62.300 0.141 0.000 1.029 692 V CB 1.003 32.947 31.823 0.201 0.000 1.057 692 V HN 1.755 nan 8.190 nan 0.000 0.436 693 G N 0.648 109.544 108.800 0.160 0.000 2.404 693 G HA2 0.633 4.595 3.960 0.004 0.000 0.253 693 G HA3 0.633 4.595 3.960 0.004 0.000 0.253 693 G C -1.523 173.469 174.900 0.153 0.000 1.253 693 G CA 0.072 45.197 45.100 0.041 0.000 0.917 693 G HN 2.196 nan 8.290 nan 0.000 0.480 694 F N -1.832 118.036 119.950 -0.136 0.000 2.713 694 F HA 0.870 5.399 4.527 0.003 0.000 0.311 694 F C -1.791 173.938 175.800 -0.119 0.000 1.141 694 F CA -1.433 56.508 58.000 -0.099 0.000 0.939 694 F CB 1.140 40.073 39.000 -0.112 0.000 1.325 694 F HN 0.489 nan 8.300 nan 0.000 0.453 695 L N 2.541 123.838 121.223 0.122 0.000 2.334 695 L HA 0.674 5.016 4.340 0.004 0.000 0.273 695 L C -0.777 176.204 176.870 0.185 0.000 1.013 695 L CA -0.633 54.229 54.840 0.037 0.000 0.816 695 L CB 1.881 43.931 42.059 -0.016 0.000 1.278 695 L HN 0.640 nan 8.230 nan 0.000 0.431 696 L N 3.410 124.732 121.223 0.164 0.000 2.333 696 L HA 0.665 5.008 4.340 0.004 0.000 0.280 696 L C -0.467 176.575 176.870 0.287 0.000 1.004 696 L CA -0.626 54.376 54.840 0.270 0.000 0.820 696 L CB 1.464 43.690 42.059 0.279 0.000 1.247 696 L HN 0.556 nan 8.230 nan 0.000 0.416 697 R N 3.604 124.215 120.500 0.185 0.000 2.575 697 R HA 0.436 4.778 4.340 0.004 0.000 0.293 697 R C -2.729 173.250 176.300 -0.535 0.000 0.983 697 R CA -1.911 54.151 56.100 -0.064 0.000 0.887 697 R CB 2.119 32.400 30.300 -0.033 0.000 1.184 697 R HN 0.287 nan 8.270 nan 0.000 0.445 698 P HA -0.017 nan 4.420 nan 0.000 0.268 698 P C -1.045 176.123 177.300 -0.219 0.000 1.204 698 P CA 0.162 62.642 63.100 -1.033 0.000 0.768 698 P CB 0.454 31.873 31.700 -0.469 0.000 0.842 699 F N 4.502 124.314 119.950 -0.230 0.000 2.646 699 F HA 0.301 4.830 4.527 0.003 0.000 0.364 699 F C 0.358 176.177 175.800 0.032 0.000 1.137 699 F CA -0.361 57.616 58.000 -0.038 0.000 1.085 699 F CB 0.316 39.330 39.000 0.022 0.000 1.331 699 F HN 0.282 nan 8.300 nan 0.000 0.472 700 N N 3.620 122.159 118.700 -0.268 0.000 2.741 700 N HA -0.324 4.418 4.740 0.004 0.000 0.251 700 N C 0.733 176.245 175.510 0.003 0.000 1.112 700 N CA 1.444 54.420 53.050 -0.124 0.000 0.750 700 N CB -1.763 36.636 38.487 -0.147 0.000 1.119 700 N HN 0.691 nan 8.380 nan 0.000 0.561 701 F N -0.007 119.843 119.950 -0.166 0.000 2.187 701 F HA 0.196 4.725 4.527 0.003 0.000 0.295 701 F C 0.729 176.270 175.800 -0.431 0.000 1.091 701 F CA 0.909 58.713 58.000 -0.326 0.000 1.308 701 F CB 0.211 38.908 39.000 -0.504 0.000 1.030 701 F HN -0.021 nan 8.300 nan 0.000 0.487 702 F N -0.016 120.033 119.950 0.165 0.000 2.470 702 F HA 0.352 4.881 4.527 0.003 0.000 0.329 702 F C -1.274 174.565 175.800 0.065 0.000 1.072 702 F CA -2.131 55.929 58.000 0.100 0.000 0.989 702 F CB 0.326 39.417 39.000 0.153 0.000 1.193 702 F HN -0.307 nan 8.300 nan 0.000 0.481 703 P HA -0.078 nan 4.420 nan 0.000 0.218 703 P C -0.693 176.822 177.300 0.358 0.000 1.149 703 P CA 1.224 64.464 63.100 0.233 0.000 0.817 703 P CB 0.166 31.933 31.700 0.111 0.000 0.785 704 E N -2.192 118.154 120.200 0.244 0.000 2.435 704 E HA 0.221 4.574 4.350 0.004 0.000 0.272 704 E C -1.243 175.411 176.600 0.090 0.000 1.031 704 E CA -0.958 55.532 56.400 0.151 0.000 0.872 704 E CB -0.108 29.661 29.700 0.115 0.000 1.588 704 E HN -0.328 nan 8.360 nan 0.000 0.460 705 D N 1.760 122.174 120.400 0.025 0.000 2.554 705 D HA -0.001 4.642 4.640 0.004 0.000 0.251 705 D C -1.249 175.007 176.300 -0.073 0.000 1.213 705 D CA -1.517 52.469 54.000 -0.023 0.000 0.900 705 D CB 0.908 41.690 40.800 -0.030 0.000 1.135 705 D HN 0.166 nan 8.370 nan 0.000 0.522 706 P HA -0.108 nan 4.420 nan 0.000 0.230 706 P C 0.939 178.180 177.300 -0.098 0.000 1.158 706 P CA 0.561 63.499 63.100 -0.269 0.000 0.769 706 P CB -0.040 31.216 31.700 -0.740 0.000 0.807 707 S N -0.954 114.710 115.700 -0.060 0.000 2.561 707 S HA 0.008 4.480 4.470 0.004 0.000 0.225 707 S C 1.828 176.401 174.600 -0.045 0.000 0.977 707 S CA 0.141 58.336 58.200 -0.008 0.000 0.926 707 S CB -1.451 61.763 63.200 0.023 0.000 0.769 707 S HN 0.072 nan 8.310 nan 0.000 0.533 708 L N 0.800 121.981 121.223 -0.070 0.000 2.265 708 L HA -0.027 4.315 4.340 0.004 0.000 0.215 708 L C 2.877 179.668 176.870 -0.131 0.000 1.117 708 L CA 1.077 55.857 54.840 -0.101 0.000 0.782 708 L CB -0.584 41.422 42.059 -0.089 0.000 0.914 708 L HN 0.513 nan 8.230 nan 0.000 0.441 709 A N -1.248 121.507 122.820 -0.108 0.000 2.168 709 A HA -0.063 4.259 4.320 0.004 0.000 0.215 709 A C 1.464 178.979 177.584 -0.115 0.000 1.152 709 A CA 0.383 52.350 52.037 -0.118 0.000 0.716 709 A CB -0.279 18.657 19.000 -0.107 0.000 0.794 709 A HN 0.280 nan 8.150 nan 0.000 0.465 710 S N 0.066 115.711 115.700 -0.093 0.000 2.525 710 S HA 0.171 4.643 4.470 0.004 0.000 0.285 710 S C 0.956 175.507 174.600 -0.082 0.000 1.283 710 S CA -0.502 57.661 58.200 -0.062 0.000 1.072 710 S CB 0.191 63.380 63.200 -0.019 0.000 0.867 710 S HN 0.390 nan 8.310 nan 0.000 0.492 711 R N 3.044 123.528 120.500 -0.027 0.000 2.320 711 R HA 0.142 4.484 4.340 0.004 0.000 0.211 711 R C 0.468 176.860 176.300 0.153 0.000 0.931 711 R CA 0.099 56.224 56.100 0.042 0.000 1.071 711 R CB -0.550 29.810 30.300 0.100 0.000 1.025 711 R HN 0.620 nan 8.270 nan 0.000 0.495 712 D N 0.275 120.738 120.400 0.105 0.000 2.347 712 D HA -0.025 4.617 4.640 0.004 0.000 0.215 712 D C 0.026 176.427 176.300 0.167 0.000 0.976 712 D CA 0.582 54.664 54.000 0.136 0.000 0.884 712 D CB 0.131 40.997 40.800 0.110 0.000 0.915 712 D HN -0.006 nan 8.370 nan 0.000 0.526 713 T N 0.870 115.515 114.554 0.151 0.000 2.934 713 T HA 0.186 4.538 4.350 0.004 0.000 0.306 713 T C 0.319 175.221 174.700 0.336 0.000 1.042 713 T CA 0.012 62.210 62.100 0.164 0.000 1.145 713 T CB 1.533 70.412 68.868 0.020 0.000 0.982 713 T HN -0.248 nan 8.240 nan 0.000 0.544 714 V N 4.993 125.057 119.914 0.249 0.000 2.540 714 V HA 0.524 4.646 4.120 0.004 0.000 0.302 714 V C -0.138 176.063 176.094 0.178 0.000 1.035 714 V CA -0.796 61.645 62.300 0.234 0.000 0.873 714 V CB 1.615 33.549 31.823 0.185 0.000 0.992 714 V HN 0.739 nan 8.190 nan 0.000 0.428 715 I N 4.641 125.291 120.570 0.134 0.000 2.418 715 I HA 0.506 4.679 4.170 0.004 0.000 0.287 715 I C -0.627 175.411 176.117 -0.132 0.000 1.008 715 I CA -0.890 60.374 61.300 -0.060 0.000 1.104 715 I CB 2.119 40.018 38.000 -0.167 0.000 1.264 715 I HN 0.259 nan 8.210 nan 0.000 0.438 716 V N 5.162 125.046 119.914 -0.050 0.000 2.427 716 V HA 0.370 4.493 4.120 0.004 0.000 0.286 716 V C -0.945 175.131 176.094 -0.029 0.000 1.034 716 V CA -0.408 61.940 62.300 0.081 0.000 0.893 716 V CB 1.099 33.090 31.823 0.281 0.000 0.982 716 V HN 0.595 nan 8.190 nan 0.000 0.452 717 W N 5.484 126.873 121.300 0.149 0.000 2.736 717 W HA 0.592 5.253 4.660 0.003 0.000 0.335 717 W C -2.386 174.123 176.519 -0.017 0.000 1.059 717 W CA -2.220 55.130 57.345 0.008 0.000 1.226 717 W CB 1.499 31.015 29.460 0.094 0.000 1.416 717 W HN 0.294 nan 8.180 nan 0.000 0.505 718 P HA 0.389 nan 4.420 nan 0.000 0.277 718 P C -0.829 176.539 177.300 0.112 0.000 1.240 718 P CA -0.352 62.779 63.100 0.051 0.000 0.798 718 P CB 1.360 32.982 31.700 -0.131 0.000 0.979 719 R N 0.747 121.317 120.500 0.117 0.000 2.686 719 R HA 0.368 4.710 4.340 0.004 0.000 0.283 719 R C -0.733 175.604 176.300 0.061 0.000 0.978 719 R CA -0.746 55.399 56.100 0.075 0.000 0.897 719 R CB 0.967 31.312 30.300 0.074 0.000 1.192 719 R HN 0.350 nan 8.270 nan 0.000 0.457 720 D N 3.092 123.514 120.400 0.036 0.000 2.450 720 D HA 0.008 4.650 4.640 0.004 0.000 0.247 720 D C -0.021 176.299 176.300 0.033 0.000 1.162 720 D CA 0.674 54.694 54.000 0.033 0.000 0.879 720 D CB 0.290 41.102 40.800 0.020 0.000 1.163 720 D HN 0.447 nan 8.370 nan 0.000 0.472 721 N N 1.370 120.094 118.700 0.039 0.000 2.727 721 N HA -0.162 4.581 4.740 0.004 0.000 0.249 721 N C 0.173 175.705 175.510 0.036 0.000 1.048 721 N CA 1.279 54.349 53.050 0.035 0.000 0.714 721 N CB -1.084 37.417 38.487 0.024 0.000 0.959 721 N HN 0.594 nan 8.380 nan 0.000 0.544 722 G N -0.850 107.980 108.800 0.050 0.000 2.660 722 G HA2 0.645 4.607 3.960 0.004 0.000 0.290 722 G HA3 0.645 4.607 3.960 0.004 0.000 0.290 722 G C -2.996 171.950 174.900 0.077 0.000 1.432 722 G CA -0.813 44.320 45.100 0.054 0.000 0.807 722 G HN -0.046 nan 8.290 nan 0.000 0.485 723 P HA 0.225 nan 4.420 nan 0.000 0.272 723 P C -0.301 177.085 177.300 0.142 0.000 1.240 723 P CA -0.696 62.464 63.100 0.099 0.000 0.791 723 P CB 0.514 32.263 31.700 0.082 0.000 0.978 724 N N 0.214 119.018 118.700 0.174 0.000 2.453 724 N HA -0.016 4.726 4.740 0.004 0.000 0.253 724 N C -0.533 175.134 175.510 0.262 0.000 1.252 724 N CA 0.093 53.290 53.050 0.244 0.000 0.917 724 N CB -0.141 38.521 38.487 0.291 0.000 1.117 724 N HN 0.442 nan 8.380 nan 0.000 0.442 725 Y N 1.220 121.626 120.300 0.178 0.000 2.383 725 Y HA 0.285 4.836 4.550 0.003 0.000 0.344 725 Y C -0.568 175.461 175.900 0.215 0.000 0.986 725 Y CA -0.818 57.374 58.100 0.153 0.000 1.175 725 Y CB 0.449 38.978 38.460 0.115 0.000 1.152 725 Y HN 0.163 nan 8.280 nan 0.000 0.511 726 V N 7.969 127.748 119.914 -0.225 0.000 2.339 726 V HA 0.143 4.265 4.120 0.004 0.000 0.261 726 V C 0.041 175.747 176.094 -0.646 0.000 1.058 726 V CA -0.466 61.672 62.300 -0.270 0.000 0.897 726 V CB 0.588 32.354 31.823 -0.095 0.000 1.052 726 V HN 0.753 nan 8.190 nan 0.000 0.480 727 Q N 5.712 125.114 119.800 -0.662 0.000 2.295 727 Q HA 0.479 4.821 4.340 0.004 0.000 0.259 727 Q C -0.347 175.296 176.000 -0.595 0.000 0.976 727 Q CA -0.240 55.118 55.803 -0.741 0.000 0.923 727 Q CB 0.739 29.281 28.738 -0.326 0.000 1.185 727 Q HN 0.689 nan 8.270 nan 0.000 0.410 728 R N 2.683 122.741 120.500 -0.738 0.000 2.837 728 R HA 0.379 4.721 4.340 0.004 0.000 0.271 728 R C -0.194 175.668 176.300 -0.730 0.000 0.993 728 R CA -0.596 55.217 56.100 -0.480 0.000 0.931 728 R CB 1.281 31.466 30.300 -0.190 0.000 1.206 728 R HN 0.756 nan 8.270 nan 0.000 0.474 729 W N 0.633 121.947 121.300 0.024 0.000 2.725 729 W HA 0.378 5.040 4.660 0.003 0.000 0.336 729 W C -0.111 176.415 176.519 0.012 0.000 1.012 729 W CA 0.067 57.425 57.345 0.023 0.000 1.566 729 W CB 0.886 30.359 29.460 0.022 0.000 1.068 729 W HN 0.281 nan 8.180 nan 0.000 0.546 730 I N 2.243 122.915 120.570 0.169 0.000 2.582 730 I HA 0.249 4.421 4.170 0.004 0.000 0.292 730 I C -1.987 174.153 176.117 0.038 0.000 1.066 730 I CA -1.932 59.420 61.300 0.087 0.000 1.053 730 I CB 2.434 40.486 38.000 0.087 0.000 1.241 730 I HN -0.478 nan 8.210 nan 0.000 0.421 731 P HA 0.059 nan 4.420 nan 0.000 0.271 731 P C -0.526 176.787 177.300 0.021 0.000 1.218 731 P CA -0.215 62.888 63.100 0.005 0.000 0.780 731 P CB 0.579 32.278 31.700 -0.001 0.000 0.901 732 E N 1.305 121.520 120.200 0.026 0.000 2.452 732 E HA -0.040 4.312 4.350 0.004 0.000 0.261 732 E C -0.542 176.097 176.600 0.064 0.000 0.987 732 E CA -0.120 56.306 56.400 0.043 0.000 0.926 732 E CB 0.227 29.947 29.700 0.033 0.000 0.934 732 E HN 0.321 nan 8.360 nan 0.000 0.452 733 D N 3.227 123.683 120.400 0.092 0.000 2.233 733 D HA 0.188 4.831 4.640 0.004 0.000 0.240 733 D C -0.211 176.150 176.300 0.101 0.000 1.074 733 D CA -0.359 53.727 54.000 0.144 0.000 0.838 733 D CB 0.778 41.724 40.800 0.243 0.000 1.124 733 D HN 0.467 nan 8.370 nan 0.000 0.475 734 R N 2.388 122.939 120.500 0.086 0.000 2.549 734 R HA 0.188 4.531 4.340 0.004 0.000 0.344 734 R C -0.430 175.890 176.300 0.034 0.000 0.979 734 R CA -0.581 55.549 56.100 0.051 0.000 1.140 734 R CB 0.515 30.839 30.300 0.039 0.000 1.377 734 R HN 0.391 nan 8.270 nan 0.000 0.541 735 D N 0.625 121.046 120.400 0.036 0.000 2.362 735 D HA 0.041 4.683 4.640 0.004 0.000 0.238 735 D C -0.138 176.136 176.300 -0.044 0.000 1.212 735 D CA 0.333 54.327 54.000 -0.009 0.000 0.902 735 D CB 0.821 41.594 40.800 -0.043 0.000 1.180 735 D HN 0.018 nan 8.370 nan 0.000 0.445 736 C N 0.439 119.714 119.300 -0.042 0.000 2.802 736 C HA 0.773 5.236 4.460 0.004 0.000 0.307 736 C C -0.211 174.753 174.990 -0.043 0.000 1.222 736 C CA -0.298 58.698 59.018 -0.037 0.000 1.580 736 C CB 0.902 28.633 27.740 -0.014 0.000 2.119 736 C HN 0.779 nan 8.230 nan 0.000 0.479 737 S N 2.107 117.786 115.700 -0.036 0.000 2.643 737 S HA 0.811 5.283 4.470 0.004 0.000 0.270 737 S C -1.365 173.230 174.600 -0.008 0.000 1.166 737 S CA -0.831 57.354 58.200 -0.025 0.000 0.815 737 S CB 1.130 64.306 63.200 -0.040 0.000 1.139 737 S HN 0.661 nan 8.310 nan 0.000 0.472 738 M N 1.625 121.226 119.600 0.002 0.000 2.530 738 M HA 0.600 5.082 4.480 0.004 0.000 0.307 738 M C -2.591 173.723 176.300 0.023 0.000 1.161 738 M CA -1.633 53.675 55.300 0.013 0.000 0.903 738 M CB 1.933 34.542 32.600 0.016 0.000 1.711 738 M HN 0.665 nan 8.290 nan 0.000 0.451 739 P HA 0.568 nan 4.420 nan 0.000 0.281 739 P C -2.786 174.545 177.300 0.051 0.000 1.281 739 P CA -1.213 61.919 63.100 0.053 0.000 0.811 739 P CB -0.734 31.009 31.700 0.071 0.000 1.154 740 P HA 0.272 nan 4.420 nan 0.000 0.269 740 P C -2.292 175.036 177.300 0.047 0.000 1.215 740 P CA -0.771 62.352 63.100 0.040 0.000 0.780 740 P CB -1.343 30.373 31.700 0.028 0.000 0.898 741 P HA 0.065 nan 4.420 nan 0.000 0.268 741 P C -0.440 176.908 177.300 0.081 0.000 1.208 741 P CA -0.194 62.947 63.100 0.067 0.000 0.777 741 P CB 0.180 31.909 31.700 0.048 0.000 0.875 742 F N 2.282 122.226 119.950 -0.011 0.000 2.572 742 F HA 0.239 4.768 4.527 0.004 0.000 0.370 742 F C 0.421 176.216 175.800 -0.009 0.000 1.103 742 F CA 0.794 58.784 58.000 -0.017 0.000 1.286 742 F CB 0.218 39.208 39.000 -0.017 0.000 1.105 742 F HN 0.358 nan 8.300 nan 0.000 0.583 743 S N 5.366 120.578 115.700 -0.813 0.000 2.595 743 S HA 0.662 5.134 4.470 0.004 0.000 0.281 743 S C -1.646 172.431 174.600 -0.872 0.000 1.117 743 S CA -0.775 57.049 58.200 -0.628 0.000 0.873 743 S CB 2.036 65.051 63.200 -0.308 0.000 1.108 743 S HN 0.749 nan 8.310 nan 0.000 0.477 744 Y N 1.192 121.156 120.300 -0.560 0.000 2.442 744 Y HA 0.452 5.004 4.550 0.004 0.000 0.330 744 Y C 0.361 176.169 175.900 -0.154 0.000 1.100 744 Y CA -0.705 57.184 58.100 -0.353 0.000 1.034 744 Y CB 1.872 40.215 38.460 -0.196 0.000 1.285 744 Y HN 0.866 nan 8.280 nan 0.000 0.440 745 N N 2.334 120.760 118.700 -0.457 0.000 2.414 745 N HA 0.086 4.828 4.740 0.004 0.000 0.189 745 N C 1.298 176.719 175.510 -0.148 0.000 1.039 745 N CA 1.604 54.511 53.050 -0.239 0.000 0.889 745 N CB 0.420 38.769 38.487 -0.230 0.000 1.085 745 N HN 1.127 nan 8.380 nan 0.000 0.442 746 G N 0.336 108.963 108.800 -0.288 0.000 2.199 746 G HA2 -0.249 3.713 3.960 0.004 0.000 0.254 746 G HA3 -0.249 3.713 3.960 0.004 0.000 0.254 746 G C 0.272 175.215 174.900 0.073 0.000 0.982 746 G CA 1.061 46.170 45.100 0.015 0.000 0.632 746 G HN 0.754 nan 8.290 nan 0.000 0.529 747 T N -1.172 113.377 114.554 -0.008 0.000 2.918 747 T HA 0.732 5.084 4.350 0.004 0.000 0.286 747 T C -0.507 174.184 174.700 -0.015 0.000 1.026 747 T CA -0.266 61.792 62.100 -0.069 0.000 1.031 747 T CB 1.985 70.769 68.868 -0.141 0.000 1.046 747 T HN 1.324 nan 8.240 nan 0.000 0.479 748 Y N 0.034 120.229 120.300 -0.176 0.000 2.315 748 Y HA 0.820 5.372 4.550 0.004 0.000 0.324 748 Y C -0.440 175.338 175.900 -0.203 0.000 1.062 748 Y CA -1.322 56.586 58.100 -0.321 0.000 1.159 748 Y CB 1.317 39.361 38.460 -0.693 0.000 1.145 748 Y HN 0.595 nan 8.280 nan 0.000 0.442 749 R N 2.154 122.595 120.500 -0.098 0.000 2.764 749 R HA 0.503 4.846 4.340 0.004 0.000 0.270 749 R C -3.241 173.086 176.300 0.046 0.000 1.014 749 R CA -2.198 53.863 56.100 -0.064 0.000 0.904 749 R CB 2.200 32.447 30.300 -0.089 0.000 1.236 749 R HN 0.406 nan 8.270 nan 0.000 0.466 750 P HA 0.143 nan 4.420 nan 0.000 0.269 750 P C -0.441 176.936 177.300 0.128 0.000 1.215 750 P CA -0.243 62.940 63.100 0.137 0.000 0.780 750 P CB 0.616 32.362 31.700 0.076 0.000 0.898 751 V N 0.000 120.041 119.914 0.212 0.000 2.409 751 V HA 0.000 4.122 4.120 0.004 0.000 0.244 751 V CA 0.000 62.380 62.300 0.133 0.000 1.235 751 V CB 0.000 31.933 31.823 0.183 0.000 1.184 751 V HN 0.000 nan 8.190 nan 0.000 0.556