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 2q1x_1_A DATA FIRST_RESID 8 DATA SEQUENCE LAVIKVVGIG GGGVNAVNRM IEQGLKGVEF IAINTDAQAL LMSDADVKLD DATA SEQUENCE VGRDSXXXXX XXADPEVGRK AAEDAKDEIE ELLRGADMVF VTAGEGGGTG DATA SEQUENCE TGGAPVVASI ARKLGALTVG VVTRPFSFEG KRRSNQAENG IAALRESCDT DATA SEQUENCE LIVIPNDRLL QMGDAAVSLM DAFRSADEVL LNGVQGITDL ITTPGLINVD DATA SEQUENCE FADVKGIMSG AGTALMGIGS ARGEGRSLKA AEIAINSPLL EASMEGAQGV DATA SEQUENCE LMSIAGGSDL GLFEINEAAS LVQDAAHPDA NIIFGTVIDD SLGDEVRVTV DATA SEQUENCE IAAGF 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.805 176.870 -0.109 0.000 1.165 8 L CA 0.000 54.812 54.840 -0.047 0.000 0.813 8 L CB 0.000 42.036 42.059 -0.038 0.000 0.961 9 A N 3.535 126.255 122.820 -0.166 0.000 2.440 9 A HA 0.630 4.951 4.320 0.002 0.000 0.251 9 A C -0.242 177.193 177.584 -0.249 0.000 1.089 9 A CA -0.171 51.655 52.037 -0.352 0.000 0.779 9 A CB 0.541 19.191 19.000 -0.583 0.000 1.022 9 A HN 0.571 nan 8.150 nan 0.000 0.492 10 V N 4.596 124.358 119.914 -0.254 0.000 2.364 10 V HA 0.287 4.409 4.120 0.002 0.000 0.272 10 V C -0.004 175.994 176.094 -0.160 0.000 1.036 10 V CA 0.152 62.352 62.300 -0.167 0.000 0.880 10 V CB 0.367 32.114 31.823 -0.127 0.000 0.991 10 V HN 0.656 nan 8.190 nan 0.000 0.460 11 I N 5.620 126.123 120.570 -0.113 0.000 2.433 11 I HA 0.510 4.681 4.170 0.002 0.000 0.292 11 I C -0.085 175.995 176.117 -0.061 0.000 1.001 11 I CA -0.595 60.675 61.300 -0.050 0.000 1.119 11 I CB 1.691 39.691 38.000 0.000 0.000 1.289 11 I HN 0.469 nan 8.210 nan 0.000 0.438 12 K N 5.466 125.865 120.400 -0.002 0.000 2.345 12 K HA 0.667 4.988 4.320 0.002 0.000 0.255 12 K C -1.311 175.329 176.600 0.066 0.000 0.934 12 K CA -0.801 55.473 56.287 -0.021 0.000 0.801 12 K CB 3.012 35.506 32.500 -0.010 0.000 1.137 12 K HN 0.257 nan 8.250 nan 0.000 0.424 13 V N 3.375 123.287 119.914 -0.003 0.000 2.350 13 V HA 0.229 4.350 4.120 0.002 0.000 0.285 13 V C -0.371 175.808 176.094 0.140 0.000 1.014 13 V CA -0.931 61.428 62.300 0.099 0.000 0.831 13 V CB 1.477 33.305 31.823 0.009 0.000 1.000 13 V HN 0.467 nan 8.190 nan 0.000 0.433 14 V N 3.998 124.001 119.914 0.149 0.000 2.394 14 V HA 0.710 4.831 4.120 0.002 0.000 0.282 14 V C 0.804 176.969 176.094 0.120 0.000 1.031 14 V CA -0.248 62.124 62.300 0.120 0.000 0.881 14 V CB 1.677 33.553 31.823 0.088 0.000 0.982 14 V HN 0.914 nan 8.190 nan 0.000 0.451 15 G N 4.611 113.474 108.800 0.105 0.000 2.422 15 G HA2 0.684 4.646 3.960 0.002 0.000 0.317 15 G HA3 0.684 4.646 3.960 0.002 0.000 0.317 15 G C -1.070 173.866 174.900 0.061 0.000 1.210 15 G CA -0.399 44.750 45.100 0.082 0.000 0.930 15 G HN 0.711 nan 8.290 nan 0.000 0.468 16 I N 2.602 123.203 120.570 0.052 0.000 2.436 16 I HA 0.717 4.889 4.170 0.002 0.000 0.289 16 I C 0.398 176.535 176.117 0.033 0.000 1.010 16 I CA 0.264 61.588 61.300 0.040 0.000 1.098 16 I CB 1.400 39.422 38.000 0.037 0.000 1.266 16 I HN 1.128 nan 8.210 nan 0.000 0.434 17 G N 4.106 112.922 108.800 0.027 0.000 2.758 17 G HA2 -0.145 3.816 3.960 0.002 0.000 0.686 17 G HA3 -0.145 3.816 3.960 0.002 0.000 0.686 17 G C 0.539 175.452 174.900 0.022 0.000 1.389 17 G CA -0.294 44.819 45.100 0.022 0.000 0.845 17 G HN 1.235 nan 8.290 nan 0.000 0.572 18 G N 0.009 108.818 108.800 0.015 0.000 2.505 18 G HA2 0.108 4.070 3.960 0.002 0.000 0.220 18 G HA3 0.108 4.070 3.960 0.002 0.000 0.220 18 G C 2.006 176.917 174.900 0.019 0.000 1.145 18 G CA 2.281 47.387 45.100 0.010 0.000 0.761 18 G HN 1.979 nan 8.290 nan 0.000 0.571 19 G N 0.747 109.566 108.800 0.031 0.000 2.433 19 G HA2 0.045 4.006 3.960 0.002 0.000 0.216 19 G HA3 0.045 4.006 3.960 0.002 0.000 0.216 19 G C 1.814 176.743 174.900 0.048 0.000 1.186 19 G CA 1.395 46.526 45.100 0.051 0.000 0.779 19 G HN 0.628 nan 8.290 nan 0.000 0.543 20 G N 0.168 108.994 108.800 0.043 0.000 2.422 20 G HA2 -0.109 3.853 3.960 0.002 0.000 0.218 20 G HA3 -0.109 3.853 3.960 0.002 0.000 0.218 20 G C 1.768 176.691 174.900 0.040 0.000 1.146 20 G CA 1.207 46.335 45.100 0.047 0.000 0.769 20 G HN 0.337 nan 8.290 nan 0.000 0.547 21 V N 1.396 121.328 119.914 0.030 0.000 2.358 21 V HA -0.173 3.949 4.120 0.002 0.000 0.246 21 V C 2.660 178.755 176.094 0.001 0.000 1.047 21 V CA 1.694 64.004 62.300 0.017 0.000 1.035 21 V CB -0.458 31.373 31.823 0.013 0.000 0.658 21 V HN 0.300 nan 8.190 nan 0.000 0.452 22 N N 0.817 119.522 118.700 0.009 0.000 2.069 22 N HA -0.174 4.568 4.740 0.002 0.000 0.191 22 N C 1.949 177.460 175.510 0.003 0.000 1.031 22 N CA 1.865 54.919 53.050 0.007 0.000 0.852 22 N CB -0.555 37.949 38.487 0.028 0.000 1.018 22 N HN 0.489 nan 8.380 nan 0.000 0.423 23 A N 0.868 123.699 122.820 0.018 0.000 1.883 23 A HA -0.109 4.213 4.320 0.002 0.000 0.217 23 A C 2.584 180.154 177.584 -0.023 0.000 1.186 23 A CA 1.537 53.582 52.037 0.013 0.000 0.624 23 A CB -0.895 18.125 19.000 0.033 0.000 0.822 23 A HN 0.125 nan 8.150 nan 0.000 0.444 24 V N 0.985 120.884 119.914 -0.024 0.000 2.343 24 V HA -0.263 3.859 4.120 0.002 0.000 0.247 24 V C 2.278 178.228 176.094 -0.240 0.000 1.051 24 V CA 2.136 64.383 62.300 -0.088 0.000 1.036 24 V CB -0.981 30.841 31.823 -0.001 0.000 0.654 24 V HN 0.559 nan 8.190 nan 0.000 0.451 25 N N 0.200 118.809 118.700 -0.152 0.000 2.166 25 N HA -0.186 4.556 4.740 0.002 0.000 0.186 25 N C 1.961 177.377 175.510 -0.158 0.000 1.019 25 N CA 1.300 54.254 53.050 -0.161 0.000 0.856 25 N CB -0.466 37.969 38.487 -0.087 0.000 0.993 25 N HN 0.335 nan 8.380 nan 0.000 0.426 26 R N 1.087 121.522 120.500 -0.109 0.000 2.075 26 R HA 0.120 4.461 4.340 0.002 0.000 0.232 26 R C 2.099 178.333 176.300 -0.109 0.000 1.126 26 R CA 1.175 57.228 56.100 -0.079 0.000 0.963 26 R CB -0.499 29.783 30.300 -0.031 0.000 0.858 26 R HN 0.223 nan 8.270 nan 0.000 0.435 27 M N -0.503 119.005 119.600 -0.152 0.000 2.108 27 M HA -0.134 4.347 4.480 0.002 0.000 0.261 27 M C 2.144 178.289 176.300 -0.258 0.000 1.066 27 M CA 1.773 56.980 55.300 -0.156 0.000 1.107 27 M CB -0.353 32.180 32.600 -0.111 0.000 1.356 27 M HN 0.100 nan 8.290 nan 0.000 0.406 28 I N -0.297 119.975 120.570 -0.498 0.000 2.226 28 I HA -0.255 3.916 4.170 0.002 0.000 0.245 28 I C 2.710 178.717 176.117 -0.184 0.000 1.100 28 I CA 1.178 62.211 61.300 -0.446 0.000 1.374 28 I CB -0.547 37.149 38.000 -0.507 0.000 1.057 28 I HN 0.358 nan 8.210 nan 0.000 0.413 29 E N 0.841 120.953 120.200 -0.146 0.000 2.150 29 E HA -0.221 4.130 4.350 0.002 0.000 0.193 29 E C 1.774 178.344 176.600 -0.049 0.000 0.985 29 E CA 1.110 57.463 56.400 -0.079 0.000 0.814 29 E CB 0.082 29.744 29.700 -0.065 0.000 0.752 29 E HN 0.476 nan 8.360 nan 0.000 0.466 30 Q N -0.660 119.110 119.800 -0.049 0.000 2.444 30 Q HA 0.065 4.407 4.340 0.002 0.000 0.206 30 Q C 0.844 176.840 176.000 -0.006 0.000 0.948 30 Q CA 0.720 56.510 55.803 -0.021 0.000 0.946 30 Q CB 0.602 29.331 28.738 -0.016 0.000 1.027 30 Q HN 0.454 nan 8.270 nan 0.000 0.513 31 G N 1.712 110.508 108.800 -0.007 0.000 2.160 31 G HA2 -0.273 3.688 3.960 0.002 0.000 0.244 31 G HA3 -0.273 3.688 3.960 0.002 0.000 0.244 31 G C -0.149 174.786 174.900 0.058 0.000 1.022 31 G CA 0.195 45.309 45.100 0.023 0.000 0.741 31 G HN 0.340 nan 8.290 nan 0.000 0.508 32 L N 0.348 121.625 121.223 0.090 0.000 2.462 32 L HA 0.607 4.948 4.340 0.002 0.000 0.272 32 L C 0.532 177.524 176.870 0.204 0.000 1.166 32 L CA 0.445 55.374 54.840 0.148 0.000 0.880 32 L CB 0.244 42.431 42.059 0.213 0.000 1.142 32 L HN 0.285 nan 8.230 nan 0.000 0.473 33 K N 3.020 123.477 120.400 0.094 0.000 2.313 33 K HA 0.725 5.047 4.320 0.002 0.000 0.235 33 K C 0.607 177.195 176.600 -0.020 0.000 1.035 33 K CA -0.464 55.855 56.287 0.053 0.000 0.868 33 K CB 1.534 34.057 32.500 0.039 0.000 1.232 33 K HN 0.710 nan 8.250 nan 0.000 0.459 34 G N -0.458 108.318 108.800 -0.041 0.000 2.148 34 G HA2 -0.223 3.738 3.960 0.002 0.000 0.254 34 G HA3 -0.223 3.738 3.960 0.002 0.000 0.254 34 G C -0.263 174.558 174.900 -0.130 0.000 0.981 34 G CA 0.495 45.555 45.100 -0.066 0.000 0.670 34 G HN 0.579 nan 8.290 nan 0.000 0.528 35 V N -3.309 116.463 119.914 -0.236 0.000 2.925 35 V HA 0.867 4.988 4.120 0.002 0.000 0.311 35 V C -0.314 175.452 176.094 -0.547 0.000 1.104 35 V CA -0.933 61.135 62.300 -0.387 0.000 0.954 35 V CB 2.163 33.673 31.823 -0.521 0.000 1.022 35 V HN 0.438 nan 8.190 nan 0.000 0.427 36 E N 2.371 122.323 120.200 -0.414 0.000 2.227 36 E HA 0.523 4.875 4.350 0.002 0.000 0.282 36 E C -1.588 174.773 176.600 -0.399 0.000 1.015 36 E CA -0.684 55.523 56.400 -0.322 0.000 0.823 36 E CB 1.135 30.755 29.700 -0.133 0.000 1.081 36 E HN 0.660 nan 8.360 nan 0.000 0.396 37 F N 4.768 124.719 119.950 0.002 0.000 2.415 37 F HA 0.423 4.952 4.527 0.002 0.000 0.348 37 F C 0.141 175.947 175.800 0.009 0.000 1.119 37 F CA -0.706 57.296 58.000 0.004 0.000 1.069 37 F CB 0.972 39.970 39.000 -0.004 0.000 1.124 37 F HN 0.274 nan 8.300 nan 0.000 0.472 38 I N 3.305 123.988 120.570 0.189 0.000 2.447 38 I HA 0.529 4.701 4.170 0.002 0.000 0.287 38 I C -0.563 175.617 176.117 0.106 0.000 1.023 38 I CA -0.843 60.526 61.300 0.114 0.000 1.083 38 I CB 1.750 39.794 38.000 0.074 0.000 1.245 38 I HN 0.638 nan 8.210 nan 0.000 0.434 39 A N 8.100 130.967 122.820 0.079 0.000 2.288 39 A HA 0.843 5.164 4.320 0.002 0.000 0.320 39 A C -0.616 176.994 177.584 0.043 0.000 1.217 39 A CA -0.395 51.676 52.037 0.057 0.000 0.840 39 A CB 0.585 19.610 19.000 0.041 0.000 1.179 39 A HN 0.695 nan 8.150 nan 0.000 0.504 40 I N 2.906 123.500 120.570 0.040 0.000 2.436 40 I HA 0.437 4.609 4.170 0.002 0.000 0.289 40 I C -0.428 175.704 176.117 0.025 0.000 1.010 40 I CA -0.552 60.766 61.300 0.031 0.000 1.098 40 I CB 2.068 40.086 38.000 0.031 0.000 1.266 40 I HN 0.691 nan 8.210 nan 0.000 0.434 41 N N 2.110 120.822 118.700 0.020 0.000 2.927 41 N HA 0.353 5.094 4.740 0.002 0.000 0.248 41 N C -0.482 175.035 175.510 0.012 0.000 1.443 41 N CA -0.474 52.586 53.050 0.016 0.000 0.870 41 N CB 2.151 40.647 38.487 0.013 0.000 1.444 41 N HN 0.528 nan 8.380 nan 0.000 0.519 42 T N -1.922 112.638 114.554 0.010 0.000 3.242 42 T HA 0.360 4.711 4.350 0.002 0.000 0.253 42 T C -0.602 174.101 174.700 0.005 0.000 0.946 42 T CA -0.394 61.711 62.100 0.008 0.000 0.944 42 T CB -0.509 68.363 68.868 0.007 0.000 1.122 42 T HN 0.356 nan 8.240 nan 0.000 0.546 43 D N 0.192 120.595 120.400 0.005 0.000 2.318 43 D HA 0.498 5.139 4.640 0.002 0.000 0.233 43 D C 0.844 177.146 176.300 0.003 0.000 1.348 43 D CA -0.396 53.606 54.000 0.003 0.000 0.983 43 D CB 0.979 41.779 40.800 0.001 0.000 1.416 43 D HN 0.099 nan 8.370 nan 0.000 0.558 44 A N 3.192 126.013 122.820 0.003 0.000 1.972 44 A HA -0.182 4.140 4.320 0.002 0.000 0.219 44 A C 1.840 179.425 177.584 0.001 0.000 1.169 44 A CA 1.251 53.290 52.037 0.003 0.000 0.635 44 A CB -0.154 18.848 19.000 0.003 0.000 0.810 44 A HN 0.569 nan 8.150 nan 0.000 0.446 45 Q N -0.253 119.547 119.800 -0.000 0.000 2.046 45 Q HA -0.096 4.245 4.340 0.002 0.000 0.200 45 Q C 2.465 178.463 176.000 -0.003 0.000 0.975 45 Q CA 1.550 57.351 55.803 -0.002 0.000 0.836 45 Q CB -0.925 27.811 28.738 -0.003 0.000 0.896 45 Q HN 0.625 nan 8.270 nan 0.000 0.428 46 A N 1.616 124.434 122.820 -0.004 0.000 1.873 46 A HA -0.179 4.143 4.320 0.002 0.000 0.218 46 A C 2.336 179.918 177.584 -0.003 0.000 1.193 46 A CA 1.428 53.462 52.037 -0.005 0.000 0.629 46 A CB -0.968 18.030 19.000 -0.004 0.000 0.826 46 A HN 0.307 nan 8.150 nan 0.000 0.447 47 L N -0.874 120.350 121.223 0.001 0.000 2.043 47 L HA -0.224 4.118 4.340 0.002 0.000 0.212 47 L C 2.634 179.505 176.870 0.002 0.000 1.075 47 L CA 1.248 56.090 54.840 0.004 0.000 0.752 47 L CB -0.536 41.528 42.059 0.008 0.000 0.891 47 L HN 0.410 nan 8.230 nan 0.000 0.432 48 L N -0.914 120.309 121.223 0.001 0.000 2.079 48 L HA -0.274 4.067 4.340 0.002 0.000 0.210 48 L C 2.569 179.437 176.870 -0.003 0.000 1.081 48 L CA 1.490 56.330 54.840 -0.000 0.000 0.752 48 L CB -0.188 41.871 42.059 -0.001 0.000 0.896 48 L HN 0.350 nan 8.230 nan 0.000 0.433 49 M N -1.611 117.985 119.600 -0.006 0.000 2.492 49 M HA -0.058 4.423 4.480 0.002 0.000 0.262 49 M C 1.190 177.481 176.300 -0.015 0.000 1.090 49 M CA 0.220 55.513 55.300 -0.010 0.000 1.110 49 M CB -0.061 32.532 32.600 -0.011 0.000 1.407 49 M HN 0.104 nan 8.290 nan 0.000 0.470 50 S N 0.869 116.561 115.700 -0.013 0.000 2.576 50 S HA -0.005 4.466 4.470 0.002 0.000 0.276 50 S C 0.541 175.128 174.600 -0.021 0.000 1.339 50 S CA -0.343 57.844 58.200 -0.021 0.000 1.039 50 S CB 0.489 63.681 63.200 -0.012 0.000 0.902 50 S HN 0.278 nan 8.310 nan 0.000 0.516 51 D N 2.425 122.800 120.400 -0.041 0.000 2.340 51 D HA 0.196 4.837 4.640 0.002 0.000 0.217 51 D C 0.671 176.958 176.300 -0.021 0.000 1.081 51 D CA 0.087 54.066 54.000 -0.036 0.000 0.842 51 D CB 0.195 40.959 40.800 -0.060 0.000 0.934 51 D HN 0.638 nan 8.370 nan 0.000 0.511 52 A N 1.278 124.092 122.820 -0.010 0.000 2.520 52 A HA -0.056 4.266 4.320 0.002 0.000 0.235 52 A C 1.153 178.791 177.584 0.090 0.000 1.065 52 A CA 0.127 52.203 52.037 0.064 0.000 0.764 52 A CB 0.526 19.573 19.000 0.077 0.000 1.002 52 A HN -0.025 nan 8.150 nan 0.000 0.502 53 D N 0.049 120.537 120.400 0.147 0.000 2.144 53 D HA -0.012 4.630 4.640 0.002 0.000 0.200 53 D C 0.284 176.624 176.300 0.067 0.000 0.978 53 D CA 1.449 55.510 54.000 0.102 0.000 0.833 53 D CB -0.116 40.748 40.800 0.107 0.000 0.961 53 D HN 0.232 nan 8.370 nan 0.000 0.470 54 V N 0.824 120.781 119.914 0.071 0.000 2.656 54 V HA 0.325 4.446 4.120 0.002 0.000 0.307 54 V C -0.405 175.718 176.094 0.049 0.000 1.051 54 V CA -0.831 61.498 62.300 0.049 0.000 0.893 54 V CB 2.532 34.380 31.823 0.042 0.000 0.999 54 V HN -0.126 nan 8.190 nan 0.000 0.426 55 K N 4.479 124.899 120.400 0.035 0.000 2.507 55 K HA 0.675 4.996 4.320 0.002 0.000 0.252 55 K C -1.649 174.964 176.600 0.023 0.000 0.943 55 K CA -0.729 55.575 56.287 0.029 0.000 0.808 55 K CB 2.644 35.158 32.500 0.023 0.000 1.142 55 K HN 0.433 nan 8.250 nan 0.000 0.426 56 L N 2.459 123.696 121.223 0.023 0.000 2.349 56 L HA 0.372 4.713 4.340 0.002 0.000 0.278 56 L C -1.235 175.644 176.870 0.016 0.000 0.996 56 L CA -0.329 54.522 54.840 0.019 0.000 0.825 56 L CB 1.458 43.528 42.059 0.019 0.000 1.243 56 L HN 0.519 nan 8.230 nan 0.000 0.412 57 D N 3.915 124.323 120.400 0.013 0.000 2.274 57 D HA 0.473 5.115 4.640 0.002 0.000 0.239 57 D C -0.613 175.693 176.300 0.010 0.000 1.104 57 D CA -0.066 53.940 54.000 0.011 0.000 0.840 57 D CB 1.288 42.093 40.800 0.009 0.000 1.100 57 D HN 0.378 nan 8.370 nan 0.000 0.477 58 V N 0.299 120.219 119.914 0.010 0.000 3.103 58 V HA 0.870 4.991 4.120 0.002 0.000 0.318 58 V C 1.024 177.123 176.094 0.008 0.000 1.114 58 V CA -0.456 61.849 62.300 0.009 0.000 1.020 58 V CB 1.165 32.994 31.823 0.011 0.000 1.085 58 V HN 0.744 nan 8.190 nan 0.000 0.446 59 G N 1.450 110.254 108.800 0.007 0.000 2.356 59 G HA2 -0.254 3.707 3.960 0.002 0.000 0.296 59 G HA3 -0.254 3.707 3.960 0.002 0.000 0.296 59 G C 0.705 175.609 174.900 0.005 0.000 1.022 59 G CA 0.968 46.072 45.100 0.006 0.000 0.961 59 G HN 0.938 nan 8.290 nan 0.000 0.510 60 R N -0.678 119.825 120.500 0.005 0.000 2.115 60 R HA -0.021 4.320 4.340 0.002 0.000 0.226 60 R C 1.770 178.072 176.300 0.004 0.000 1.100 60 R CA 1.302 57.405 56.100 0.004 0.000 0.980 60 R CB -0.105 30.198 30.300 0.004 0.000 0.875 60 R HN 0.380 nan 8.270 nan 0.000 0.445 61 D N 0.867 121.269 120.400 0.004 0.000 2.123 61 D HA -0.066 4.575 4.640 0.002 0.000 0.200 61 D C 1.216 177.518 176.300 0.003 0.000 0.976 61 D CA 1.009 55.011 54.000 0.003 0.000 0.831 61 D CB -0.178 40.624 40.800 0.003 0.000 0.974 61 D HN 0.154 nan 8.370 nan 0.000 0.469 71 D N 1.604 122.010 120.400 0.010 0.000 2.359 71 D HA 0.464 5.105 4.640 0.002 0.000 0.230 71 D C -1.529 174.776 176.300 0.009 0.000 1.118 71 D CA -1.862 52.144 54.000 0.009 0.000 0.844 71 D CB 1.764 42.569 40.800 0.008 0.000 1.059 71 D HN 0.110 nan 8.370 nan 0.000 0.493 72 P HA -0.157 nan 4.420 nan 0.000 0.216 72 P C 1.047 178.352 177.300 0.007 0.000 1.150 72 P CA 0.924 64.029 63.100 0.009 0.000 0.843 72 P CB 0.456 32.160 31.700 0.008 0.000 0.787 73 E N -0.643 119.561 120.200 0.007 0.000 2.110 73 E HA -0.100 4.252 4.350 0.002 0.000 0.193 73 E C 2.103 178.707 176.600 0.006 0.000 0.988 73 E CA 0.880 57.283 56.400 0.006 0.000 0.804 73 E CB -1.003 28.700 29.700 0.005 0.000 0.745 73 E HN 0.101 nan 8.360 nan 0.000 0.458 74 V N 0.707 120.625 119.914 0.006 0.000 2.343 74 V HA -0.193 3.928 4.120 0.002 0.000 0.247 74 V C 2.373 178.472 176.094 0.007 0.000 1.051 74 V CA 1.979 64.283 62.300 0.006 0.000 1.036 74 V CB -0.988 30.839 31.823 0.006 0.000 0.654 74 V HN 0.329 nan 8.190 nan 0.000 0.451 75 G N -0.573 108.232 108.800 0.008 0.000 2.408 75 G HA2 -0.270 3.691 3.960 0.002 0.000 0.217 75 G HA3 -0.270 3.691 3.960 0.002 0.000 0.217 75 G C 1.719 176.625 174.900 0.009 0.000 1.150 75 G CA 0.823 45.928 45.100 0.009 0.000 0.776 75 G HN 0.433 nan 8.290 nan 0.000 0.542 76 R N 0.206 120.710 120.500 0.008 0.000 2.075 76 R HA -0.064 4.278 4.340 0.002 0.000 0.232 76 R C 2.429 178.733 176.300 0.006 0.000 1.126 76 R CA 1.666 57.770 56.100 0.007 0.000 0.963 76 R CB -0.147 30.156 30.300 0.006 0.000 0.858 76 R HN 0.214 nan 8.270 nan 0.000 0.435 77 K N 0.534 120.938 120.400 0.006 0.000 2.103 77 K HA 0.043 4.364 4.320 0.002 0.000 0.204 77 K C 1.711 178.314 176.600 0.006 0.000 1.052 77 K CA 1.515 57.805 56.287 0.005 0.000 0.945 77 K CB -0.335 32.168 32.500 0.005 0.000 0.722 77 K HN 0.260 nan 8.250 nan 0.000 0.443 78 A N 0.609 123.433 122.820 0.007 0.000 1.877 78 A HA -0.069 4.252 4.320 0.002 0.000 0.216 78 A C 2.383 179.972 177.584 0.008 0.000 1.186 78 A CA 2.164 54.205 52.037 0.007 0.000 0.620 78 A CB -1.090 17.915 19.000 0.008 0.000 0.822 78 A HN 0.393 nan 8.150 nan 0.000 0.443 79 A N -0.709 122.116 122.820 0.009 0.000 1.873 79 A HA -0.127 4.194 4.320 0.002 0.000 0.215 79 A C 1.978 179.567 177.584 0.008 0.000 1.186 79 A CA 1.649 53.692 52.037 0.010 0.000 0.616 79 A CB -0.478 18.528 19.000 0.011 0.000 0.823 79 A HN 0.436 nan 8.150 nan 0.000 0.442 80 E N 0.510 120.714 120.200 0.007 0.000 2.070 80 E HA -0.210 4.141 4.350 0.002 0.000 0.197 80 E C 1.556 178.158 176.600 0.005 0.000 1.004 80 E CA 1.558 57.961 56.400 0.005 0.000 0.805 80 E CB -0.491 29.212 29.700 0.004 0.000 0.744 80 E HN 0.551 nan 8.360 nan 0.000 0.451 81 D N 0.021 120.424 120.400 0.005 0.000 2.182 81 D HA -0.116 4.525 4.640 0.002 0.000 0.201 81 D C 1.153 177.456 176.300 0.005 0.000 0.986 81 D CA 1.274 55.277 54.000 0.005 0.000 0.847 81 D CB -0.062 40.741 40.800 0.005 0.000 0.942 81 D HN 0.156 nan 8.370 nan 0.000 0.467 82 A N 0.438 123.261 122.820 0.006 0.000 2.460 82 A HA 0.064 4.385 4.320 0.002 0.000 0.258 82 A C 1.741 179.329 177.584 0.007 0.000 1.300 82 A CA -0.153 51.888 52.037 0.007 0.000 0.913 82 A CB -0.241 18.764 19.000 0.008 0.000 1.031 82 A HN 0.223 nan 8.150 nan 0.000 0.512 83 K N -0.080 120.324 120.400 0.006 0.000 2.097 83 K HA -0.184 4.138 4.320 0.002 0.000 0.206 83 K C 0.548 177.151 176.600 0.004 0.000 1.049 83 K CA 1.750 58.041 56.287 0.005 0.000 0.933 83 K CB -0.249 32.254 32.500 0.004 0.000 0.717 83 K HN 0.182 nan 8.250 nan 0.000 0.442 84 D N 1.295 121.698 120.400 0.004 0.000 2.117 84 D HA -0.152 4.489 4.640 0.002 0.000 0.198 84 D C 1.887 178.189 176.300 0.004 0.000 0.982 84 D CA 1.206 55.208 54.000 0.003 0.000 0.828 84 D CB -0.149 40.653 40.800 0.002 0.000 0.967 84 D HN 0.456 nan 8.370 nan 0.000 0.464 85 E N 0.130 120.333 120.200 0.005 0.000 2.051 85 E HA -0.125 4.227 4.350 0.002 0.000 0.192 85 E C 2.249 178.853 176.600 0.007 0.000 0.991 85 E CA 0.626 57.030 56.400 0.006 0.000 0.799 85 E CB -0.040 29.664 29.700 0.007 0.000 0.748 85 E HN 0.221 nan 8.360 nan 0.000 0.449 86 I N 0.757 121.332 120.570 0.008 0.000 2.226 86 I HA -0.259 3.913 4.170 0.002 0.000 0.245 86 I C 2.592 178.714 176.117 0.008 0.000 1.100 86 I CA 1.356 62.662 61.300 0.010 0.000 1.374 86 I CB -0.289 37.718 38.000 0.012 0.000 1.057 86 I HN 0.229 nan 8.210 nan 0.000 0.413 87 E N 1.026 121.229 120.200 0.005 0.000 2.110 87 E HA -0.287 4.064 4.350 0.002 0.000 0.193 87 E C 2.165 178.766 176.600 0.001 0.000 0.988 87 E CA 1.211 57.612 56.400 0.002 0.000 0.804 87 E CB -0.032 29.668 29.700 0.001 0.000 0.745 87 E HN 0.337 nan 8.360 nan 0.000 0.458 88 E N 0.600 120.801 120.200 0.002 0.000 2.106 88 E HA -0.156 4.195 4.350 0.002 0.000 0.192 88 E C 2.174 178.774 176.600 0.000 0.000 0.984 88 E CA 0.738 57.139 56.400 0.001 0.000 0.806 88 E CB -0.044 29.657 29.700 0.001 0.000 0.750 88 E HN 0.412 nan 8.360 nan 0.000 0.458 89 L N 0.189 121.414 121.223 0.003 0.000 2.217 89 L HA -0.103 4.239 4.340 0.002 0.000 0.211 89 L C 2.438 179.308 176.870 0.001 0.000 1.107 89 L CA 0.594 55.437 54.840 0.004 0.000 0.783 89 L CB -0.197 41.868 42.059 0.011 0.000 0.919 89 L HN 0.117 nan 8.230 nan 0.000 0.442 90 L N -1.149 120.074 121.223 0.000 0.000 2.416 90 L HA 0.068 4.409 4.340 0.002 0.000 0.216 90 L C 1.051 177.914 176.870 -0.011 0.000 1.098 90 L CA -0.144 54.694 54.840 -0.004 0.000 0.840 90 L CB -0.138 41.921 42.059 0.000 0.000 0.981 90 L HN 0.085 nan 8.230 nan 0.000 0.462 91 R N 0.748 121.242 120.500 -0.009 0.000 2.481 91 R HA 0.028 4.369 4.340 0.002 0.000 0.291 91 R C 1.185 177.473 176.300 -0.019 0.000 0.934 91 R CA 1.094 57.187 56.100 -0.012 0.000 1.116 91 R CB -0.047 30.248 30.300 -0.009 0.000 0.895 91 R HN 0.395 nan 8.270 nan 0.000 0.410 92 G N 1.246 110.032 108.800 -0.024 0.000 2.213 92 G HA2 -0.300 3.661 3.960 0.002 0.000 0.236 92 G HA3 -0.300 3.661 3.960 0.002 0.000 0.236 92 G C 0.116 174.984 174.900 -0.053 0.000 0.991 92 G CA -0.125 44.954 45.100 -0.035 0.000 0.629 92 G HN 0.875 nan 8.290 nan 0.000 0.517 93 A N 0.548 123.339 122.820 -0.049 0.000 2.409 93 A HA 0.567 4.888 4.320 0.002 0.000 0.262 93 A C 1.118 178.651 177.584 -0.086 0.000 1.113 93 A CA 0.691 52.687 52.037 -0.068 0.000 0.790 93 A CB 0.327 19.300 19.000 -0.044 0.000 1.046 93 A HN 0.199 nan 8.150 nan 0.000 0.496 94 D N 1.230 121.529 120.400 -0.168 0.000 2.194 94 D HA 0.012 4.654 4.640 0.002 0.000 0.204 94 D C 0.359 176.594 176.300 -0.108 0.000 0.964 94 D CA 1.403 55.258 54.000 -0.241 0.000 0.846 94 D CB 0.170 40.560 40.800 -0.683 0.000 0.962 94 D HN 0.630 nan 8.370 nan 0.000 0.490 95 M N 0.813 120.351 119.600 -0.103 0.000 2.324 95 M HA 0.296 4.777 4.480 0.002 0.000 0.288 95 M C -2.131 174.165 176.300 -0.006 0.000 1.097 95 M CA -0.469 54.832 55.300 0.000 0.000 0.928 95 M CB 2.864 35.514 32.600 0.083 0.000 1.648 95 M HN -0.411 nan 8.290 nan 0.000 0.460 96 V N 4.918 124.799 119.914 -0.054 0.000 2.531 96 V HA 0.532 4.654 4.120 0.002 0.000 0.301 96 V C -1.134 174.903 176.094 -0.096 0.000 1.034 96 V CA -0.508 61.787 62.300 -0.010 0.000 0.865 96 V CB 1.815 33.633 31.823 -0.008 0.000 0.995 96 V HN 0.709 nan 8.190 nan 0.000 0.424 97 F N 3.338 123.293 119.950 0.009 0.000 2.404 97 F HA 0.627 5.155 4.527 0.002 0.000 0.339 97 F C 0.178 175.993 175.800 0.025 0.000 1.105 97 F CA -0.612 57.400 58.000 0.021 0.000 1.087 97 F CB 1.932 40.948 39.000 0.026 0.000 1.143 97 F HN 0.173 nan 8.300 nan 0.000 0.491 98 V N 2.490 122.506 119.914 0.169 0.000 2.350 98 V HA 0.439 4.560 4.120 0.002 0.000 0.285 98 V C -0.270 175.899 176.094 0.125 0.000 1.014 98 V CA -0.710 61.660 62.300 0.116 0.000 0.831 98 V CB 1.465 33.322 31.823 0.056 0.000 1.000 98 V HN 0.839 nan 8.190 nan 0.000 0.433 99 T N 1.950 116.577 114.554 0.122 0.000 2.856 99 T HA 0.948 5.300 4.350 0.002 0.000 0.283 99 T C -0.434 174.309 174.700 0.070 0.000 1.008 99 T CA -0.337 61.824 62.100 0.102 0.000 0.997 99 T CB 2.220 71.152 68.868 0.108 0.000 0.992 99 T HN 1.281 nan 8.240 nan 0.000 0.454 100 A N 1.167 124.020 122.820 0.055 0.000 2.608 100 A HA 0.816 5.137 4.320 0.002 0.000 0.292 100 A C -0.164 177.441 177.584 0.035 0.000 1.066 100 A CA -0.671 51.392 52.037 0.043 0.000 0.676 100 A CB 0.879 19.901 19.000 0.036 0.000 1.277 100 A HN 1.435 nan 8.150 nan 0.000 0.413 101 G N 1.339 110.162 108.800 0.038 0.000 2.457 101 G HA2 0.506 4.467 3.960 0.002 0.000 0.316 101 G HA3 0.506 4.467 3.960 0.002 0.000 0.316 101 G C -0.303 174.612 174.900 0.025 0.000 1.030 101 G CA -0.245 44.876 45.100 0.036 0.000 1.073 101 G HN 0.549 nan 8.290 nan 0.000 0.430 102 E N 0.836 121.038 120.200 0.004 0.000 2.415 102 E HA 0.348 4.700 4.350 0.002 0.000 0.262 102 E C 1.188 177.790 176.600 0.004 0.000 1.038 102 E CA 1.239 57.639 56.400 0.000 0.000 0.921 102 E CB 1.622 31.314 29.700 -0.014 0.000 0.950 102 E HN 0.795 nan 8.360 nan 0.000 0.438 103 G N 1.887 110.693 108.800 0.009 0.000 2.481 103 G HA2 -0.186 3.775 3.960 0.002 0.000 0.200 103 G HA3 -0.186 3.775 3.960 0.002 0.000 0.200 103 G C 0.649 175.563 174.900 0.024 0.000 1.012 103 G CA -0.046 45.063 45.100 0.016 0.000 0.676 103 G HN 0.769 nan 8.290 nan 0.000 0.488 104 G N -0.263 108.553 108.800 0.028 0.000 2.494 104 G HA2 0.556 4.517 3.960 0.002 0.000 0.270 104 G HA3 0.556 4.517 3.960 0.002 0.000 0.270 104 G C 1.228 176.139 174.900 0.018 0.000 1.423 104 G CA 0.612 45.727 45.100 0.025 0.000 1.055 104 G HN 1.180 nan 8.290 nan 0.000 0.536 105 G N -1.781 107.029 108.800 0.016 0.000 2.570 105 G HA2 0.072 4.033 3.960 0.002 0.000 0.209 105 G HA3 0.072 4.033 3.960 0.002 0.000 0.209 105 G C 1.676 176.584 174.900 0.013 0.000 1.168 105 G CA 1.429 46.537 45.100 0.013 0.000 0.831 105 G HN 0.541 nan 8.290 nan 0.000 0.564 106 T N 1.126 115.688 114.554 0.014 0.000 2.737 106 T HA 0.020 4.371 4.350 0.002 0.000 0.265 106 T C 2.445 177.155 174.700 0.017 0.000 1.038 106 T CA 1.435 63.544 62.100 0.015 0.000 1.144 106 T CB -0.510 68.366 68.868 0.014 0.000 0.866 106 T HN 0.303 nan 8.240 nan 0.000 0.434 107 G N 1.487 110.298 108.800 0.020 0.000 2.434 107 G HA2 -0.206 3.755 3.960 0.002 0.000 0.214 107 G HA3 -0.206 3.755 3.960 0.002 0.000 0.214 107 G C 1.733 176.644 174.900 0.019 0.000 1.202 107 G CA 1.471 46.585 45.100 0.023 0.000 0.788 107 G HN 0.439 nan 8.290 nan 0.000 0.539 108 T N 1.064 115.627 114.554 0.016 0.000 2.597 108 T HA -0.138 4.213 4.350 0.002 0.000 0.267 108 T C 2.437 177.143 174.700 0.010 0.000 1.053 108 T CA 1.849 63.956 62.100 0.012 0.000 1.165 108 T CB -0.796 68.078 68.868 0.010 0.000 0.863 108 T HN 0.376 nan 8.240 nan 0.000 0.427 109 G N 0.312 109.118 108.800 0.011 0.000 2.403 109 G HA2 0.099 4.060 3.960 0.002 0.000 0.216 109 G HA3 0.099 4.060 3.960 0.002 0.000 0.216 109 G C 1.647 176.553 174.900 0.010 0.000 1.154 109 G CA 0.852 45.958 45.100 0.009 0.000 0.784 109 G HN 0.592 nan 8.290 nan 0.000 0.538 110 G N 0.717 109.524 108.800 0.013 0.000 2.492 110 G HA2 0.224 4.185 3.960 0.002 0.000 0.214 110 G HA3 0.224 4.185 3.960 0.002 0.000 0.214 110 G C 1.990 176.900 174.900 0.016 0.000 1.147 110 G CA 1.231 46.340 45.100 0.014 0.000 0.809 110 G HN 0.534 nan 8.290 nan 0.000 0.533 111 A N 1.889 124.720 122.820 0.018 0.000 1.917 111 A HA -0.005 4.316 4.320 0.002 0.000 0.219 111 A C 0.677 178.270 177.584 0.015 0.000 1.182 111 A CA 2.042 54.092 52.037 0.021 0.000 0.633 111 A CB -1.218 17.796 19.000 0.023 0.000 0.819 111 A HN 0.371 nan 8.150 nan 0.000 0.448 112 P HA -0.082 nan 4.420 nan 0.000 0.218 112 P C 1.558 178.861 177.300 0.005 0.000 1.149 112 P CA 1.186 64.289 63.100 0.006 0.000 0.817 112 P CB -0.141 31.561 31.700 0.004 0.000 0.785 113 V N -0.466 119.453 119.914 0.007 0.000 2.307 113 V HA -0.196 3.926 4.120 0.002 0.000 0.245 113 V C 2.473 178.571 176.094 0.007 0.000 1.045 113 V CA 1.764 64.068 62.300 0.006 0.000 1.024 113 V CB -1.312 30.516 31.823 0.008 0.000 0.651 113 V HN -0.034 nan 8.190 nan 0.000 0.449 114 V N 0.498 120.419 119.914 0.011 0.000 2.295 114 V HA -0.262 3.859 4.120 0.002 0.000 0.246 114 V C 2.736 178.835 176.094 0.008 0.000 1.049 114 V CA 2.109 64.417 62.300 0.013 0.000 1.024 114 V CB -1.236 30.601 31.823 0.022 0.000 0.648 114 V HN 0.554 nan 8.190 nan 0.000 0.447 115 A N -0.400 122.423 122.820 0.006 0.000 1.902 115 A HA -0.194 4.127 4.320 0.002 0.000 0.217 115 A C 2.483 180.063 177.584 -0.007 0.000 1.181 115 A CA 2.148 54.183 52.037 -0.004 0.000 0.623 115 A CB -0.691 18.305 19.000 -0.006 0.000 0.818 115 A HN 0.504 nan 8.150 nan 0.000 0.443 116 S N -0.151 115.547 115.700 -0.004 0.000 2.368 116 S HA -0.127 4.345 4.470 0.002 0.000 0.225 116 S C 1.796 176.394 174.600 -0.005 0.000 1.030 116 S CA 1.519 59.716 58.200 -0.005 0.000 0.999 116 S CB -0.477 62.721 63.200 -0.003 0.000 0.844 116 S HN 0.549 nan 8.310 nan 0.000 0.459 117 I N 1.567 122.135 120.570 -0.002 0.000 2.202 117 I HA -0.206 3.965 4.170 0.002 0.000 0.242 117 I C 2.711 178.826 176.117 -0.003 0.000 1.091 117 I CA 1.096 62.395 61.300 -0.001 0.000 1.368 117 I CB -0.512 37.489 38.000 0.002 0.000 1.058 117 I HN 0.264 nan 8.210 nan 0.000 0.410 118 A N 0.693 123.510 122.820 -0.005 0.000 1.883 118 A HA -0.279 4.042 4.320 0.002 0.000 0.217 118 A C 2.344 179.922 177.584 -0.011 0.000 1.186 118 A CA 2.116 54.148 52.037 -0.008 0.000 0.624 118 A CB -0.590 18.403 19.000 -0.012 0.000 0.822 118 A HN 0.293 nan 8.150 nan 0.000 0.444 119 R N 0.090 120.582 120.500 -0.013 0.000 2.075 119 R HA -0.096 4.245 4.340 0.002 0.000 0.232 119 R C 2.194 178.489 176.300 -0.010 0.000 1.126 119 R CA 2.025 58.117 56.100 -0.015 0.000 0.963 119 R CB -0.394 29.895 30.300 -0.018 0.000 0.858 119 R HN 0.570 nan 8.270 nan 0.000 0.435 120 K N 0.189 120.584 120.400 -0.008 0.000 2.063 120 K HA -0.133 4.188 4.320 0.002 0.000 0.208 120 K C 1.682 178.280 176.600 -0.004 0.000 1.048 120 K CA 1.657 57.940 56.287 -0.006 0.000 0.928 120 K CB -0.185 32.312 32.500 -0.005 0.000 0.713 120 K HN 0.250 nan 8.250 nan 0.000 0.442 121 L N -0.169 121.052 121.223 -0.004 0.000 2.549 121 L HA -0.017 4.324 4.340 0.002 0.000 0.229 121 L C 1.275 178.146 176.870 0.001 0.000 1.158 121 L CA 0.767 55.605 54.840 -0.003 0.000 0.842 121 L CB -0.295 41.762 42.059 -0.004 0.000 0.952 121 L HN 0.672 nan 8.230 nan 0.000 0.452 122 G N -0.328 108.473 108.800 0.001 0.000 2.159 122 G HA2 -0.278 3.683 3.960 0.002 0.000 0.256 122 G HA3 -0.278 3.683 3.960 0.002 0.000 0.256 122 G C 0.390 175.303 174.900 0.022 0.000 0.977 122 G CA 0.028 45.133 45.100 0.008 0.000 0.652 122 G HN 0.532 nan 8.290 nan 0.000 0.531 123 A N -0.101 122.728 122.820 0.015 0.000 2.425 123 A HA 0.647 4.968 4.320 0.002 0.000 0.249 123 A C 0.667 178.267 177.584 0.026 0.000 1.084 123 A CA 0.101 52.154 52.037 0.027 0.000 0.781 123 A CB 0.574 19.573 19.000 -0.001 0.000 1.019 123 A HN 1.603 nan 8.150 nan 0.000 0.490 124 L N 2.748 124.019 121.223 0.080 0.000 2.562 124 L HA 0.252 4.593 4.340 0.002 0.000 0.271 124 L C 0.120 176.948 176.870 -0.070 0.000 1.167 124 L CA 1.290 56.145 54.840 0.024 0.000 0.917 124 L CB -0.052 42.065 42.059 0.096 0.000 1.187 124 L HN 0.589 nan 8.230 nan 0.000 0.482 125 T N 5.391 119.883 114.554 -0.104 0.000 2.788 125 T HA 0.518 4.869 4.350 0.002 0.000 0.296 125 T C -0.533 174.055 174.700 -0.187 0.000 1.009 125 T CA -0.399 61.620 62.100 -0.136 0.000 0.949 125 T CB 0.917 69.741 68.868 -0.073 0.000 0.946 125 T HN 0.332 nan 8.240 nan 0.000 0.453 126 V N 3.005 122.726 119.914 -0.320 0.000 2.409 126 V HA 0.696 4.817 4.120 0.002 0.000 0.291 126 V C 0.764 176.765 176.094 -0.154 0.000 1.020 126 V CA -0.902 61.208 62.300 -0.318 0.000 0.848 126 V CB 1.721 33.159 31.823 -0.642 0.000 0.990 126 V HN 0.960 nan 8.190 nan 0.000 0.430 127 G N 3.291 112.065 108.800 -0.044 0.000 2.356 127 G HA2 0.570 4.531 3.960 0.002 0.000 0.298 127 G HA3 0.570 4.531 3.960 0.002 0.000 0.298 127 G C -0.865 174.082 174.900 0.077 0.000 1.145 127 G CA -0.340 44.777 45.100 0.029 0.000 0.850 127 G HN 0.604 nan 8.290 nan 0.000 0.487 128 V N 2.902 122.890 119.914 0.123 0.000 2.419 128 V HA 0.540 4.662 4.120 0.002 0.000 0.287 128 V C -0.032 176.107 176.094 0.075 0.000 1.017 128 V CA -0.685 61.686 62.300 0.118 0.000 0.844 128 V CB 0.998 32.929 31.823 0.180 0.000 1.011 128 V HN 0.925 nan 8.190 nan 0.000 0.429 129 V N 1.595 121.533 119.914 0.040 0.000 3.007 129 V HA 0.923 5.044 4.120 0.002 0.000 0.311 129 V C -0.003 176.082 176.094 -0.016 0.000 1.120 129 V CA -0.531 61.780 62.300 0.017 0.000 0.980 129 V CB 2.234 34.064 31.823 0.012 0.000 1.033 129 V HN 0.819 nan 8.190 nan 0.000 0.429 130 T N 1.023 115.555 114.554 -0.036 0.000 2.907 130 T HA 0.640 4.992 4.350 0.002 0.000 0.284 130 T C -0.065 174.572 174.700 -0.106 0.000 1.004 130 T CA -0.711 61.333 62.100 -0.094 0.000 1.063 130 T CB 1.183 69.974 68.868 -0.130 0.000 0.992 130 T HN 0.872 nan 8.240 nan 0.000 0.483 131 R N 2.478 122.888 120.500 -0.150 0.000 2.410 131 R HA 0.404 4.745 4.340 0.002 0.000 0.288 131 R C -2.222 173.932 176.300 -0.244 0.000 1.051 131 R CA -2.000 54.008 56.100 -0.154 0.000 1.021 131 R CB 0.691 30.904 30.300 -0.146 0.000 1.032 131 R HN 0.551 nan 8.270 nan 0.000 0.481 132 P HA -0.001 nan 4.420 nan 0.000 0.274 132 P C -0.629 176.456 177.300 -0.359 0.000 1.237 132 P CA -0.049 62.914 63.100 -0.229 0.000 0.793 132 P CB 0.429 32.089 31.700 -0.066 0.000 0.977 133 F N 0.027 119.721 119.950 -0.427 0.000 2.518 133 F HA -0.004 4.524 4.527 0.001 0.000 0.359 133 F C 2.282 177.753 175.800 -0.548 0.000 1.118 133 F CA 0.531 58.127 58.000 -0.673 0.000 1.287 133 F CB -0.321 37.759 39.000 -1.533 0.000 1.132 133 F HN 0.266 nan 8.300 nan 0.000 0.587 134 S N 2.071 117.671 115.700 -0.168 0.000 2.392 134 S HA -0.266 4.205 4.470 0.002 0.000 0.232 134 S C 1.809 176.405 174.600 -0.007 0.000 1.041 134 S CA 1.771 59.933 58.200 -0.064 0.000 1.026 134 S CB -0.582 62.621 63.200 0.005 0.000 0.845 134 S HN 0.685 nan 8.310 nan 0.000 0.465 135 F N 1.880 121.900 119.950 0.117 0.000 2.546 135 F HA 0.141 4.669 4.527 0.001 0.000 0.298 135 F C 1.529 177.392 175.800 0.105 0.000 1.120 135 F CA 0.300 58.348 58.000 0.079 0.000 1.456 135 F CB -0.999 38.018 39.000 0.027 0.000 1.088 135 F HN 0.171 nan 8.300 nan 0.000 0.572 136 E N 0.949 121.233 120.200 0.139 0.000 2.427 136 E HA 0.289 4.641 4.350 0.002 0.000 0.196 136 E C 1.145 177.828 176.600 0.138 0.000 1.028 136 E CA 0.439 56.967 56.400 0.213 0.000 0.864 136 E CB -0.310 29.486 29.700 0.160 0.000 0.813 136 E HN 0.574 nan 8.360 nan 0.000 0.514 137 G N 1.368 110.228 108.800 0.100 0.000 2.587 137 G HA2 -0.230 3.731 3.960 0.002 0.000 0.686 137 G HA3 -0.230 3.731 3.960 0.002 0.000 0.686 137 G C -0.077 174.849 174.900 0.043 0.000 1.236 137 G CA -0.189 44.955 45.100 0.073 0.000 0.820 137 G HN 0.062 nan 8.290 nan 0.000 0.645 138 K N -0.224 120.197 120.400 0.035 0.000 2.217 138 K HA 0.069 4.391 4.320 0.002 0.000 0.202 138 K C 2.650 179.260 176.600 0.017 0.000 1.051 138 K CA 1.383 57.683 56.287 0.021 0.000 0.952 138 K CB -0.109 32.402 32.500 0.019 0.000 0.736 138 K HN 0.477 nan 8.250 nan 0.000 0.453 139 R N -0.038 120.475 120.500 0.022 0.000 2.066 139 R HA -0.026 4.316 4.340 0.002 0.000 0.232 139 R C 2.316 178.627 176.300 0.018 0.000 1.131 139 R CA 1.341 57.453 56.100 0.019 0.000 0.955 139 R CB -0.081 30.232 30.300 0.022 0.000 0.851 139 R HN 0.139 nan 8.270 nan 0.000 0.432 140 R N -0.195 120.320 120.500 0.025 0.000 2.096 140 R HA -0.088 4.253 4.340 0.002 0.000 0.235 140 R C 2.477 178.781 176.300 0.006 0.000 1.127 140 R CA 1.516 57.630 56.100 0.023 0.000 0.968 140 R CB -0.329 29.996 30.300 0.041 0.000 0.861 140 R HN 0.137 nan 8.270 nan 0.000 0.440 141 S N 0.944 116.645 115.700 0.000 0.000 2.368 141 S HA -0.107 4.365 4.470 0.002 0.000 0.224 141 S C 1.674 176.267 174.600 -0.013 0.000 1.029 141 S CA 1.136 59.326 58.200 -0.015 0.000 0.988 141 S CB -0.103 63.086 63.200 -0.018 0.000 0.838 141 S HN 0.270 nan 8.310 nan 0.000 0.462 142 N N 1.293 119.990 118.700 -0.004 0.000 2.120 142 N HA -0.057 4.685 4.740 0.002 0.000 0.188 142 N C 1.963 177.471 175.510 -0.003 0.000 1.024 142 N CA 1.297 54.345 53.050 -0.004 0.000 0.852 142 N CB -0.545 37.943 38.487 0.001 0.000 1.003 142 N HN 0.619 nan 8.380 nan 0.000 0.424 143 Q N 0.256 120.056 119.800 0.001 0.000 2.079 143 Q HA 0.041 4.382 4.340 0.002 0.000 0.200 143 Q C 2.065 178.064 176.000 -0.002 0.000 0.974 143 Q CA 1.379 57.183 55.803 0.002 0.000 0.840 143 Q CB -0.130 28.613 28.738 0.007 0.000 0.898 143 Q HN 0.377 nan 8.270 nan 0.000 0.430 144 A N 0.920 123.736 122.820 -0.006 0.000 1.972 144 A HA -0.249 4.072 4.320 0.002 0.000 0.219 144 A C 1.906 179.480 177.584 -0.016 0.000 1.169 144 A CA 1.767 53.796 52.037 -0.013 0.000 0.635 144 A CB -0.383 18.602 19.000 -0.026 0.000 0.810 144 A HN 0.297 nan 8.150 nan 0.000 0.446 145 E N 0.603 120.793 120.200 -0.017 0.000 2.072 145 E HA -0.131 4.220 4.350 0.002 0.000 0.190 145 E C 1.779 178.372 176.600 -0.011 0.000 0.982 145 E CA 1.511 57.901 56.400 -0.017 0.000 0.803 145 E CB -0.208 29.482 29.700 -0.017 0.000 0.755 145 E HN 0.575 nan 8.360 nan 0.000 0.453 146 N N -0.044 118.652 118.700 -0.007 0.000 2.142 146 N HA -0.082 4.659 4.740 0.002 0.000 0.186 146 N C 1.826 177.334 175.510 -0.003 0.000 1.023 146 N CA 1.354 54.401 53.050 -0.004 0.000 0.852 146 N CB -0.845 37.641 38.487 -0.002 0.000 0.998 146 N HN 0.321 nan 8.380 nan 0.000 0.424 147 G N 1.224 110.023 108.800 -0.003 0.000 2.442 147 G HA2 -0.168 3.793 3.960 0.002 0.000 0.219 147 G HA3 -0.168 3.793 3.960 0.002 0.000 0.219 147 G C 1.678 176.577 174.900 -0.002 0.000 1.141 147 G CA 0.357 45.456 45.100 -0.000 0.000 0.763 147 G HN 0.258 nan 8.290 nan 0.000 0.554 148 I N 1.110 121.677 120.570 -0.006 0.000 2.286 148 I HA -0.094 4.078 4.170 0.002 0.000 0.245 148 I C 3.252 179.366 176.117 -0.005 0.000 1.104 148 I CA 0.875 62.171 61.300 -0.007 0.000 1.397 148 I CB -0.126 37.866 38.000 -0.014 0.000 1.072 148 I HN 0.232 nan 8.210 nan 0.000 0.417 149 A N 0.677 123.494 122.820 -0.005 0.000 1.902 149 A HA -0.185 4.136 4.320 0.002 0.000 0.217 149 A C 2.513 180.096 177.584 -0.003 0.000 1.181 149 A CA 1.903 53.937 52.037 -0.004 0.000 0.623 149 A CB -0.841 18.157 19.000 -0.005 0.000 0.818 149 A HN 0.431 nan 8.150 nan 0.000 0.443 150 A N -0.639 122.180 122.820 -0.002 0.000 1.877 150 A HA -0.027 4.294 4.320 0.002 0.000 0.216 150 A C 2.102 179.685 177.584 -0.001 0.000 1.186 150 A CA 1.724 53.760 52.037 -0.001 0.000 0.620 150 A CB -0.631 18.369 19.000 0.000 0.000 0.822 150 A HN 0.622 nan 8.150 nan 0.000 0.443 151 L N -0.268 120.955 121.223 -0.000 0.000 2.141 151 L HA -0.059 4.282 4.340 0.002 0.000 0.209 151 L C 2.370 179.238 176.870 -0.002 0.000 1.094 151 L CA 1.861 56.702 54.840 0.000 0.000 0.763 151 L CB -0.666 41.395 42.059 0.004 0.000 0.908 151 L HN 0.421 nan 8.230 nan 0.000 0.437 152 R N -0.392 120.107 120.500 -0.002 0.000 2.081 152 R HA -0.181 4.161 4.340 0.002 0.000 0.235 152 R C 2.102 178.399 176.300 -0.006 0.000 1.131 152 R CA 1.855 57.953 56.100 -0.002 0.000 0.960 152 R CB -0.124 30.177 30.300 0.001 0.000 0.856 152 R HN 0.514 nan 8.270 nan 0.000 0.436 153 E N -0.403 119.794 120.200 -0.006 0.000 2.153 153 E HA -0.132 4.219 4.350 0.002 0.000 0.194 153 E C 1.405 177.999 176.600 -0.010 0.000 0.988 153 E CA 1.577 57.972 56.400 -0.008 0.000 0.811 153 E CB 0.106 29.803 29.700 -0.006 0.000 0.746 153 E HN 0.383 nan 8.360 nan 0.000 0.466 154 S N -0.927 114.767 115.700 -0.010 0.000 2.557 154 S HA 0.182 4.653 4.470 0.002 0.000 0.223 154 S C 0.351 174.939 174.600 -0.019 0.000 0.969 154 S CA -0.599 57.593 58.200 -0.013 0.000 0.927 154 S CB 0.101 63.296 63.200 -0.008 0.000 0.806 154 S HN 0.047 nan 8.310 nan 0.000 0.489 155 C N 2.024 121.310 119.300 -0.023 0.000 2.456 155 C HA 0.480 4.942 4.460 0.002 0.000 0.325 155 C C 1.402 176.367 174.990 -0.042 0.000 1.217 155 C CA -0.717 58.280 59.018 -0.035 0.000 1.687 155 C CB 1.522 29.243 27.740 -0.032 0.000 2.270 155 C HN 0.444 nan 8.230 nan 0.000 0.499 156 D N 0.916 121.281 120.400 -0.058 0.000 2.084 156 D HA -0.060 4.581 4.640 0.002 0.000 0.194 156 D C 0.450 176.713 176.300 -0.062 0.000 0.990 156 D CA 1.613 55.575 54.000 -0.064 0.000 0.826 156 D CB 0.248 40.999 40.800 -0.081 0.000 0.971 156 D HN 0.574 nan 8.370 nan 0.000 0.453 157 T N 0.447 114.960 114.554 -0.068 0.000 2.881 157 T HA 0.426 4.778 4.350 0.002 0.000 0.290 157 T C -0.906 173.774 174.700 -0.033 0.000 1.000 157 T CA -0.613 61.458 62.100 -0.050 0.000 0.978 157 T CB 2.411 71.243 68.868 -0.060 0.000 0.997 157 T HN -0.131 nan 8.240 nan 0.000 0.443 158 L N 4.724 125.944 121.223 -0.004 0.000 2.316 158 L HA 0.633 4.974 4.340 0.002 0.000 0.280 158 L C -1.087 175.802 176.870 0.032 0.000 1.006 158 L CA -0.565 54.281 54.840 0.011 0.000 0.836 158 L CB 0.430 42.495 42.059 0.010 0.000 1.221 158 L HN 0.639 nan 8.230 nan 0.000 0.418 159 I N 5.886 126.481 120.570 0.042 0.000 2.325 159 I HA 0.339 4.510 4.170 0.002 0.000 0.291 159 I C -0.503 175.636 176.117 0.036 0.000 1.019 159 I CA -0.588 60.744 61.300 0.053 0.000 1.302 159 I CB 1.333 39.376 38.000 0.071 0.000 1.401 159 I HN 0.269 nan 8.210 nan 0.000 0.485 160 V N 7.977 127.903 119.914 0.020 0.000 2.417 160 V HA 0.430 4.551 4.120 0.002 0.000 0.291 160 V C 0.003 176.083 176.094 -0.025 0.000 1.024 160 V CA -0.488 61.807 62.300 -0.008 0.000 0.861 160 V CB 1.819 33.630 31.823 -0.020 0.000 0.985 160 V HN 0.471 nan 8.190 nan 0.000 0.436 161 I N 7.488 128.031 120.570 -0.044 0.000 2.354 161 I HA 0.357 4.528 4.170 0.002 0.000 0.286 161 I C -2.298 173.747 176.117 -0.119 0.000 1.007 161 I CA -1.982 59.278 61.300 -0.067 0.000 1.167 161 I CB 2.231 40.195 38.000 -0.060 0.000 1.320 161 I HN 0.423 nan 8.210 nan 0.000 0.458 162 P HA 0.160 nan 4.420 nan 0.000 0.279 162 P C -0.168 176.990 177.300 -0.236 0.000 1.318 162 P CA -0.165 62.836 63.100 -0.164 0.000 0.819 162 P CB 0.751 32.381 31.700 -0.116 0.000 0.927 163 N N 2.727 121.174 118.700 -0.420 0.000 2.137 163 N HA -0.168 4.574 4.740 0.002 0.000 0.190 163 N C 1.046 176.291 175.510 -0.442 0.000 1.017 163 N CA 1.351 53.958 53.050 -0.738 0.000 0.859 163 N CB -0.484 36.982 38.487 -1.701 0.000 1.002 163 N HN 0.396 nan 8.380 nan 0.000 0.428 164 D N 0.402 120.655 120.400 -0.245 0.000 2.149 164 D HA -0.148 4.493 4.640 0.002 0.000 0.194 164 D C 1.786 178.102 176.300 0.028 0.000 1.001 164 D CA 0.891 54.892 54.000 0.003 0.000 0.849 164 D CB -0.050 40.735 40.800 -0.025 0.000 0.939 164 D HN 0.193 nan 8.370 nan 0.000 0.449 165 R N 0.152 120.633 120.500 -0.031 0.000 2.189 165 R HA 0.043 4.384 4.340 0.002 0.000 0.218 165 R C 2.409 178.716 176.300 0.012 0.000 1.074 165 R CA 0.083 56.176 56.100 -0.011 0.000 0.991 165 R CB -0.684 29.596 30.300 -0.034 0.000 0.883 165 R HN 0.344 nan 8.270 nan 0.000 0.457 166 L N 0.352 121.586 121.223 0.017 0.000 2.275 166 L HA -0.084 4.258 4.340 0.002 0.000 0.215 166 L C 2.039 178.965 176.870 0.093 0.000 1.119 166 L CA 0.852 55.724 54.840 0.053 0.000 0.790 166 L CB -0.357 41.739 42.059 0.063 0.000 0.919 166 L HN 0.079 nan 8.230 nan 0.000 0.443 167 L N -0.947 120.352 121.223 0.127 0.000 2.418 167 L HA -0.084 4.258 4.340 0.002 0.000 0.218 167 L C 2.017 178.923 176.870 0.060 0.000 1.125 167 L CA 0.478 55.380 54.840 0.103 0.000 0.835 167 L CB -0.275 41.861 42.059 0.129 0.000 0.953 167 L HN 0.327 nan 8.230 nan 0.000 0.454 168 Q N -0.302 119.527 119.800 0.048 0.000 2.444 168 Q HA 0.124 4.465 4.340 0.002 0.000 0.206 168 Q C 0.255 176.271 176.000 0.026 0.000 0.948 168 Q CA 0.425 56.247 55.803 0.031 0.000 0.946 168 Q CB 0.276 29.028 28.738 0.023 0.000 1.027 168 Q HN 0.494 nan 8.270 nan 0.000 0.513 169 M N -1.708 117.910 119.600 0.031 0.000 2.821 169 M HA 0.560 5.041 4.480 0.002 0.000 0.294 169 M C 0.639 176.956 176.300 0.029 0.000 1.195 169 M CA -0.359 54.957 55.300 0.026 0.000 0.784 169 M CB 1.393 34.008 32.600 0.025 0.000 1.755 169 M HN 0.108 nan 8.290 nan 0.000 0.477 170 G N 0.501 109.316 108.800 0.025 0.000 2.575 170 G HA2 -0.162 3.799 3.960 0.002 0.000 0.267 170 G HA3 -0.162 3.799 3.960 0.002 0.000 0.267 170 G C -1.221 173.691 174.900 0.019 0.000 1.264 170 G CA -0.398 44.717 45.100 0.025 0.000 0.935 170 G HN 0.727 nan 8.290 nan 0.000 0.568 171 D N 1.005 121.416 120.400 0.017 0.000 2.210 171 D HA 0.519 5.160 4.640 0.002 0.000 0.249 171 D C 1.252 177.556 176.300 0.006 0.000 1.078 171 D CA 0.349 54.355 54.000 0.010 0.000 0.875 171 D CB 1.463 42.268 40.800 0.008 0.000 1.175 171 D HN 0.776 nan 8.370 nan 0.000 0.440 172 A N 1.864 124.686 122.820 0.004 0.000 2.066 172 A HA 0.037 4.358 4.320 0.002 0.000 0.218 172 A C 1.590 179.169 177.584 -0.009 0.000 1.157 172 A CA 1.234 53.270 52.037 -0.000 0.000 0.670 172 A CB -0.023 18.977 19.000 0.001 0.000 0.804 172 A HN 0.550 nan 8.150 nan 0.000 0.453 173 A N -0.319 122.496 122.820 -0.009 0.000 2.411 173 A HA 0.472 4.793 4.320 0.002 0.000 0.251 173 A C 0.687 178.260 177.584 -0.019 0.000 1.317 173 A CA -0.090 51.938 52.037 -0.016 0.000 0.904 173 A CB -0.799 18.194 19.000 -0.012 0.000 0.993 173 A HN 0.533 nan 8.150 nan 0.000 0.504 174 V N 2.083 121.986 119.914 -0.018 0.000 2.617 174 V HA 0.230 4.351 4.120 0.002 0.000 0.304 174 V C 0.935 177.005 176.094 -0.040 0.000 1.040 174 V CA 0.526 62.814 62.300 -0.019 0.000 1.149 174 V CB 0.551 32.367 31.823 -0.012 0.000 0.914 174 V HN 0.744 nan 8.190 nan 0.000 0.487 175 S N 6.145 121.828 115.700 -0.028 0.000 2.655 175 S HA 0.254 4.725 4.470 0.002 0.000 0.265 175 S C 0.815 175.391 174.600 -0.039 0.000 1.240 175 S CA -0.062 58.115 58.200 -0.039 0.000 0.986 175 S CB 1.227 64.416 63.200 -0.018 0.000 0.985 175 S HN 0.795 nan 8.310 nan 0.000 0.562 176 L N 0.787 121.983 121.223 -0.044 0.000 2.017 176 L HA 0.022 4.364 4.340 0.002 0.000 0.208 176 L C 2.609 179.596 176.870 0.194 0.000 1.073 176 L CA 1.821 56.666 54.840 0.008 0.000 0.745 176 L CB -0.918 41.130 42.059 -0.018 0.000 0.894 176 L HN 0.854 nan 8.230 nan 0.000 0.432 177 M N -0.963 118.717 119.600 0.133 0.000 2.080 177 M HA -0.246 4.236 4.480 0.002 0.000 0.260 177 M C 1.808 178.208 176.300 0.166 0.000 1.068 177 M CA 1.915 57.309 55.300 0.157 0.000 1.109 177 M CB -0.642 32.001 32.600 0.072 0.000 1.342 177 M HN 0.266 nan 8.290 nan 0.000 0.405 178 D N 0.374 120.832 120.400 0.097 0.000 2.149 178 D HA -0.108 4.533 4.640 0.002 0.000 0.198 178 D C 1.897 178.255 176.300 0.097 0.000 0.990 178 D CA 1.577 55.624 54.000 0.079 0.000 0.839 178 D CB -0.153 40.670 40.800 0.039 0.000 0.948 178 D HN 0.367 nan 8.370 nan 0.000 0.460 179 A N 0.034 122.900 122.820 0.077 0.000 1.898 179 A HA -0.109 4.212 4.320 0.002 0.000 0.216 179 A C 2.025 179.694 177.584 0.142 0.000 1.181 179 A CA 0.816 52.875 52.037 0.036 0.000 0.620 179 A CB -0.862 17.989 19.000 -0.249 0.000 0.819 179 A HN 0.141 nan 8.150 nan 0.000 0.442 180 F N -0.181 119.908 119.950 0.231 0.000 2.259 180 F HA -0.038 4.491 4.527 0.004 0.000 0.298 180 F C 2.564 178.453 175.800 0.149 0.000 1.088 180 F CA 1.266 59.418 58.000 0.253 0.000 1.358 180 F CB -0.158 38.963 39.000 0.202 0.000 1.040 180 F HN 0.084 nan 8.300 nan 0.000 0.505 181 R N -0.366 120.292 120.500 0.263 0.000 2.096 181 R HA -0.125 4.216 4.340 0.002 0.000 0.235 181 R C 2.323 178.693 176.300 0.116 0.000 1.127 181 R CA 1.517 57.710 56.100 0.155 0.000 0.968 181 R CB -0.687 29.678 30.300 0.109 0.000 0.861 181 R HN 0.160 nan 8.270 nan 0.000 0.440 182 S N 0.697 116.466 115.700 0.116 0.000 2.383 182 S HA -0.158 4.314 4.470 0.002 0.000 0.229 182 S C 2.026 176.666 174.600 0.067 0.000 1.030 182 S CA 1.278 59.529 58.200 0.085 0.000 1.002 182 S CB -0.121 63.134 63.200 0.092 0.000 0.829 182 S HN 0.484 nan 8.310 nan 0.000 0.467 183 A N 2.052 124.920 122.820 0.080 0.000 1.898 183 A HA -0.148 4.173 4.320 0.002 0.000 0.216 183 A C 1.811 179.420 177.584 0.041 0.000 1.181 183 A CA 1.669 53.717 52.037 0.019 0.000 0.620 183 A CB -0.681 18.306 19.000 -0.022 0.000 0.819 183 A HN 0.366 nan 8.150 nan 0.000 0.442 184 D N -0.446 120.003 120.400 0.081 0.000 2.104 184 D HA -0.168 4.473 4.640 0.002 0.000 0.194 184 D C 1.874 178.195 176.300 0.036 0.000 0.994 184 D CA 1.725 55.761 54.000 0.061 0.000 0.830 184 D CB -0.420 40.422 40.800 0.070 0.000 0.959 184 D HN 0.574 nan 8.370 nan 0.000 0.452 185 E N 0.830 121.053 120.200 0.037 0.000 2.058 185 E HA -0.143 4.209 4.350 0.002 0.000 0.194 185 E C 2.005 178.616 176.600 0.018 0.000 0.997 185 E CA 0.680 57.095 56.400 0.025 0.000 0.801 185 E CB -0.475 29.242 29.700 0.030 0.000 0.746 185 E HN 0.093 nan 8.360 nan 0.000 0.450 186 V N 0.064 119.988 119.914 0.017 0.000 2.515 186 V HA -0.170 3.951 4.120 0.002 0.000 0.250 186 V C 2.215 178.316 176.094 0.011 0.000 1.058 186 V CA 1.497 63.803 62.300 0.010 0.000 1.064 186 V CB -0.266 31.556 31.823 -0.001 0.000 0.675 186 V HN 0.350 nan 8.190 nan 0.000 0.461 187 L N -0.789 120.442 121.223 0.013 0.000 2.017 187 L HA -0.157 4.184 4.340 0.002 0.000 0.208 187 L C 2.497 179.374 176.870 0.011 0.000 1.073 187 L CA 1.845 56.697 54.840 0.020 0.000 0.745 187 L CB -0.692 41.383 42.059 0.027 0.000 0.894 187 L HN 0.447 nan 8.230 nan 0.000 0.432 188 L N 0.320 121.546 121.223 0.006 0.000 1.990 188 L HA -0.284 4.058 4.340 0.002 0.000 0.213 188 L C 1.947 178.810 176.870 -0.012 0.000 1.072 188 L CA 2.157 56.993 54.840 -0.006 0.000 0.755 188 L CB -0.965 41.093 42.059 -0.003 0.000 0.889 188 L HN 0.281 nan 8.230 nan 0.000 0.432 189 N N -0.576 118.125 118.700 0.002 0.000 2.094 189 N HA -0.173 4.568 4.740 0.002 0.000 0.191 189 N C 1.776 177.292 175.510 0.010 0.000 1.023 189 N CA 1.094 54.149 53.050 0.007 0.000 0.857 189 N CB -0.568 37.928 38.487 0.015 0.000 1.013 189 N HN 0.602 nan 8.380 nan 0.000 0.426 190 G N 0.764 109.574 108.800 0.018 0.000 2.402 190 G HA2 -0.162 3.799 3.960 0.002 0.000 0.216 190 G HA3 -0.162 3.799 3.960 0.002 0.000 0.216 190 G C 1.613 176.534 174.900 0.036 0.000 1.162 190 G CA 0.488 45.615 45.100 0.045 0.000 0.777 190 G HN 0.107 nan 8.290 nan 0.000 0.539 191 V N 0.472 120.346 119.914 -0.066 0.000 2.244 191 V HA -0.217 3.905 4.120 0.002 0.000 0.244 191 V C 2.749 178.689 176.094 -0.257 0.000 1.042 191 V CA 2.311 64.406 62.300 -0.341 0.000 1.006 191 V CB -0.625 30.933 31.823 -0.441 0.000 0.641 191 V HN 0.482 nan 8.190 nan 0.000 0.446 192 Q N 0.106 119.829 119.800 -0.129 0.000 2.124 192 Q HA -0.155 4.186 4.340 0.002 0.000 0.202 192 Q C 2.208 178.197 176.000 -0.018 0.000 0.977 192 Q CA 1.871 57.634 55.803 -0.066 0.000 0.850 192 Q CB -0.534 28.189 28.738 -0.025 0.000 0.901 192 Q HN 0.666 nan 8.270 nan 0.000 0.429 193 G N 0.776 109.577 108.800 0.002 0.000 2.469 193 G HA2 -0.246 3.716 3.960 0.002 0.000 0.220 193 G HA3 -0.246 3.716 3.960 0.002 0.000 0.220 193 G C 1.298 176.227 174.900 0.049 0.000 1.136 193 G CA 1.137 46.255 45.100 0.030 0.000 0.759 193 G HN 0.385 nan 8.290 nan 0.000 0.562 194 I N 0.769 121.381 120.570 0.071 0.000 2.364 194 I HA -0.052 4.119 4.170 0.002 0.000 0.241 194 I C 3.202 179.392 176.117 0.121 0.000 1.082 194 I CA 1.526 62.906 61.300 0.134 0.000 1.401 194 I CB -0.583 37.586 38.000 0.281 0.000 1.126 194 I HN 0.258 nan 8.210 nan 0.000 0.429 195 T N -1.838 112.756 114.554 0.066 0.000 2.788 195 T HA -0.190 4.161 4.350 0.002 0.000 0.268 195 T C 1.514 176.237 174.700 0.038 0.000 1.044 195 T CA 1.571 63.700 62.100 0.050 0.000 1.139 195 T CB -0.511 68.309 68.868 -0.080 0.000 0.867 195 T HN 0.136 nan 8.240 nan 0.000 0.454 196 D N 1.280 121.692 120.400 0.021 0.000 2.218 196 D HA 0.042 4.683 4.640 0.002 0.000 0.204 196 D C 2.033 178.356 176.300 0.039 0.000 0.976 196 D CA 0.453 54.468 54.000 0.025 0.000 0.853 196 D CB -0.420 40.392 40.800 0.020 0.000 0.939 196 D HN 0.395 nan 8.370 nan 0.000 0.481 197 L N 0.034 121.288 121.223 0.052 0.000 2.079 197 L HA -0.171 4.170 4.340 0.002 0.000 0.210 197 L C 2.243 179.151 176.870 0.063 0.000 1.081 197 L CA 0.915 55.790 54.840 0.057 0.000 0.752 197 L CB -0.234 41.863 42.059 0.063 0.000 0.896 197 L HN 0.077 nan 8.230 nan 0.000 0.433 198 I N -1.170 119.446 120.570 0.076 0.000 2.585 198 I HA -0.151 4.020 4.170 0.002 0.000 0.254 198 I C 2.527 178.675 176.117 0.052 0.000 1.129 198 I CA 1.423 62.774 61.300 0.085 0.000 1.455 198 I CB -0.236 37.839 38.000 0.126 0.000 1.111 198 I HN 0.328 nan 8.210 nan 0.000 0.433 199 T N -4.227 110.349 114.554 0.036 0.000 3.044 199 T HA -0.015 4.336 4.350 0.002 0.000 0.255 199 T C 1.186 175.897 174.700 0.018 0.000 1.073 199 T CA 0.700 62.811 62.100 0.017 0.000 1.125 199 T CB 0.131 68.999 68.868 0.001 0.000 0.908 199 T HN 0.155 nan 8.240 nan 0.000 0.480 200 T N 3.713 118.281 114.554 0.024 0.000 3.954 200 T HA 0.368 4.719 4.350 0.002 0.000 0.226 200 T C -3.104 171.612 174.700 0.027 0.000 1.049 200 T CA -1.456 60.657 62.100 0.022 0.000 1.481 200 T CB 0.651 69.531 68.868 0.019 0.000 0.853 200 T HN 0.117 nan 8.240 nan 0.000 0.632 201 P HA 0.338 nan 4.420 nan 0.000 0.269 201 P C 0.654 177.972 177.300 0.030 0.000 1.209 201 P CA 0.193 63.313 63.100 0.034 0.000 0.776 201 P CB 0.951 32.672 31.700 0.036 0.000 0.876 202 G N 1.110 109.929 108.800 0.032 0.000 2.773 202 G HA2 0.240 4.201 3.960 0.002 0.000 0.186 202 G HA3 0.240 4.201 3.960 0.002 0.000 0.186 202 G C 1.172 176.089 174.900 0.028 0.000 1.411 202 G CA -0.699 44.418 45.100 0.029 0.000 1.054 202 G HN 0.400 nan 8.290 nan 0.000 0.579 203 L N -0.523 120.716 121.223 0.027 0.000 2.127 203 L HA 0.066 4.407 4.340 0.002 0.000 0.211 203 L C 0.676 177.563 176.870 0.028 0.000 1.089 203 L CA 1.010 55.865 54.840 0.026 0.000 0.757 203 L CB -0.350 41.724 42.059 0.024 0.000 0.899 203 L HN 0.154 nan 8.230 nan 0.000 0.434 204 I N 0.681 121.271 120.570 0.034 0.000 2.371 204 I HA 0.105 4.276 4.170 0.002 0.000 0.282 204 I C 0.012 176.155 176.117 0.044 0.000 1.031 204 I CA -0.272 61.052 61.300 0.041 0.000 1.180 204 I CB 0.796 38.827 38.000 0.050 0.000 1.336 204 I HN 0.021 nan 8.210 nan 0.000 0.467 205 N N 6.936 125.660 118.700 0.039 0.000 2.415 205 N HA 0.150 4.892 4.740 0.002 0.000 0.246 205 N C -1.051 174.483 175.510 0.040 0.000 1.078 205 N CA -0.073 53.001 53.050 0.039 0.000 0.942 205 N CB 1.180 39.688 38.487 0.034 0.000 1.140 205 N HN 0.236 nan 8.380 nan 0.000 0.501 206 V N 4.647 124.586 119.914 0.043 0.000 2.333 206 V HA 0.145 4.266 4.120 0.002 0.000 0.274 206 V C 0.242 176.363 176.094 0.045 0.000 1.028 206 V CA -0.798 61.523 62.300 0.036 0.000 0.851 206 V CB 0.914 32.756 31.823 0.032 0.000 1.000 206 V HN 0.706 nan 8.190 nan 0.000 0.456 207 D N 3.402 123.828 120.400 0.044 0.000 2.529 207 D HA 0.129 4.771 4.640 0.002 0.000 0.273 207 D C 1.088 177.448 176.300 0.100 0.000 1.197 207 D CA -0.796 53.252 54.000 0.080 0.000 1.070 207 D CB 0.600 41.446 40.800 0.076 0.000 1.134 207 D HN 0.223 nan 8.370 nan 0.000 0.590 208 F N 0.625 120.579 119.950 0.006 0.000 2.126 208 F HA -0.056 4.472 4.527 0.002 0.000 0.299 208 F C 2.251 178.047 175.800 -0.006 0.000 1.096 208 F CA 2.190 60.192 58.000 0.003 0.000 1.255 208 F CB -0.723 38.279 39.000 0.002 0.000 0.997 208 F HN 0.398 nan 8.300 nan 0.000 0.479 209 A N 0.059 122.781 122.820 -0.163 0.000 1.940 209 A HA -0.200 4.121 4.320 0.002 0.000 0.219 209 A C 2.023 179.463 177.584 -0.239 0.000 1.176 209 A CA 1.998 53.881 52.037 -0.257 0.000 0.631 209 A CB -1.013 17.942 19.000 -0.074 0.000 0.814 209 A HN 0.466 nan 8.150 nan 0.000 0.446 210 D N -0.245 120.070 120.400 -0.143 0.000 2.097 210 D HA -0.104 4.538 4.640 0.002 0.000 0.195 210 D C 2.122 178.333 176.300 -0.148 0.000 0.989 210 D CA 1.504 55.436 54.000 -0.113 0.000 0.827 210 D CB -0.561 40.205 40.800 -0.056 0.000 0.966 210 D HN 0.210 nan 8.370 nan 0.000 0.456 211 V N 1.134 120.953 119.914 -0.159 0.000 2.287 211 V HA -0.248 3.874 4.120 0.002 0.000 0.248 211 V C 2.496 178.449 176.094 -0.236 0.000 1.053 211 V CA 1.661 63.872 62.300 -0.148 0.000 1.027 211 V CB -0.427 31.359 31.823 -0.063 0.000 0.646 211 V HN 0.173 nan 8.190 nan 0.000 0.447 212 K N 0.079 120.218 120.400 -0.435 0.000 2.063 212 K HA -0.167 4.154 4.320 0.002 0.000 0.208 212 K C 2.166 178.610 176.600 -0.260 0.000 1.048 212 K CA 1.643 57.663 56.287 -0.444 0.000 0.928 212 K CB -0.630 31.428 32.500 -0.738 0.000 0.713 212 K HN 0.509 nan 8.250 nan 0.000 0.442 213 G N 1.247 109.912 108.800 -0.225 0.000 2.440 213 G HA2 -0.266 3.696 3.960 0.002 0.000 0.218 213 G HA3 -0.266 3.696 3.960 0.002 0.000 0.218 213 G C 1.457 176.277 174.900 -0.132 0.000 1.154 213 G CA 0.933 45.941 45.100 -0.153 0.000 0.767 213 G HN 0.404 nan 8.290 nan 0.000 0.552 214 I N -0.356 120.133 120.570 -0.135 0.000 2.852 214 I HA 0.185 4.356 4.170 0.002 0.000 0.264 214 I C 2.388 178.432 176.117 -0.121 0.000 1.179 214 I CA 0.421 61.647 61.300 -0.124 0.000 1.480 214 I CB 0.187 38.113 38.000 -0.123 0.000 1.111 214 I HN 0.136 nan 8.210 nan 0.000 0.441 215 M N -0.645 118.880 119.600 -0.125 0.000 2.492 215 M HA 0.111 4.592 4.480 0.002 0.000 0.255 215 M C 0.754 176.988 176.300 -0.110 0.000 1.139 215 M CA 0.057 55.290 55.300 -0.113 0.000 1.096 215 M CB 0.214 32.748 32.600 -0.110 0.000 1.360 215 M HN -0.035 nan 8.290 nan 0.000 0.480 216 S N 1.253 116.883 115.700 -0.116 0.000 2.525 216 S HA 0.238 4.709 4.470 0.002 0.000 0.285 216 S C 1.181 175.732 174.600 -0.083 0.000 1.283 216 S CA 0.442 58.583 58.200 -0.098 0.000 1.072 216 S CB 0.360 63.500 63.200 -0.100 0.000 0.867 216 S HN 0.731 nan 8.310 nan 0.000 0.492 217 G N 2.533 111.291 108.800 -0.070 0.000 2.337 217 G HA2 -0.325 3.636 3.960 0.002 0.000 0.290 217 G HA3 -0.325 3.636 3.960 0.002 0.000 0.290 217 G C 0.870 175.730 174.900 -0.066 0.000 1.003 217 G CA 0.503 45.567 45.100 -0.060 0.000 0.825 217 G HN 0.995 nan 8.290 nan 0.000 0.509 218 A N -1.111 121.664 122.820 -0.076 0.000 2.014 218 A HA 0.513 4.835 4.320 0.002 0.000 0.218 218 A C 2.558 180.100 177.584 -0.071 0.000 1.163 218 A CA 2.002 53.985 52.037 -0.089 0.000 0.652 218 A CB -0.358 18.580 19.000 -0.104 0.000 0.808 218 A HN 2.625 nan 8.150 nan 0.000 0.449 219 G N -1.696 107.077 108.800 -0.045 0.000 2.488 219 G HA2 -0.140 3.821 3.960 0.002 0.000 0.237 219 G HA3 -0.140 3.821 3.960 0.002 0.000 0.237 219 G C 0.276 175.184 174.900 0.014 0.000 1.209 219 G CA 0.070 45.160 45.100 -0.016 0.000 0.929 219 G HN 0.949 nan 8.290 nan 0.000 0.578 220 T N 0.734 115.323 114.554 0.059 0.000 2.907 220 T HA 0.683 5.034 4.350 0.002 0.000 0.298 220 T C 0.440 175.264 174.700 0.206 0.000 1.017 220 T CA 1.323 63.486 62.100 0.105 0.000 1.118 220 T CB 0.301 69.229 68.868 0.100 0.000 0.948 220 T HN 2.108 nan 8.240 nan 0.000 0.531 221 A N 4.216 127.145 122.820 0.182 0.000 2.556 221 A HA 0.825 5.147 4.320 0.002 0.000 0.294 221 A C -1.545 176.151 177.584 0.185 0.000 1.091 221 A CA -0.754 51.421 52.037 0.230 0.000 0.704 221 A CB 1.307 20.364 19.000 0.096 0.000 1.300 221 A HN 0.785 nan 8.150 nan 0.000 0.406 222 L N 0.977 122.336 121.223 0.226 0.000 2.354 222 L HA 0.789 5.130 4.340 0.002 0.000 0.264 222 L C -0.166 176.766 176.870 0.102 0.000 1.008 222 L CA -0.659 54.254 54.840 0.121 0.000 0.819 222 L CB 2.179 44.287 42.059 0.082 0.000 1.339 222 L HN 0.962 nan 8.230 nan 0.000 0.420 223 M N 0.103 119.739 119.600 0.060 0.000 2.662 223 M HA 0.938 5.419 4.480 0.002 0.000 0.310 223 M C -0.567 175.756 176.300 0.039 0.000 1.204 223 M CA -0.510 54.821 55.300 0.051 0.000 0.891 223 M CB 2.350 34.978 32.600 0.046 0.000 1.732 223 M HN 0.472 nan 8.290 nan 0.000 0.467 224 G N 2.123 110.946 108.800 0.039 0.000 2.638 224 G HA2 0.766 4.727 3.960 0.002 0.000 0.302 224 G HA3 0.766 4.727 3.960 0.002 0.000 0.302 224 G C -1.483 173.436 174.900 0.032 0.000 1.365 224 G CA -1.030 44.089 45.100 0.033 0.000 0.987 224 G HN 1.094 nan 8.290 nan 0.000 0.495 225 I N -0.689 119.897 120.570 0.027 0.000 2.686 225 I HA 0.961 5.132 4.170 0.002 0.000 0.295 225 I C -0.030 176.102 176.117 0.025 0.000 1.114 225 I CA -1.175 60.141 61.300 0.027 0.000 1.038 225 I CB 2.641 40.655 38.000 0.023 0.000 1.238 225 I HN 0.773 nan 8.210 nan 0.000 0.420 226 G N 2.504 111.319 108.800 0.025 0.000 2.706 226 G HA2 0.725 4.686 3.960 0.002 0.000 0.297 226 G HA3 0.725 4.686 3.960 0.002 0.000 0.297 226 G C -1.400 173.512 174.900 0.021 0.000 1.403 226 G CA -0.519 44.594 45.100 0.022 0.000 0.954 226 G HN 0.999 nan 8.290 nan 0.000 0.500 227 S N -0.813 114.898 115.700 0.019 0.000 2.588 227 S HA 0.973 5.444 4.470 0.002 0.000 0.275 227 S C -0.454 174.155 174.600 0.016 0.000 1.130 227 S CA -0.193 58.018 58.200 0.018 0.000 0.855 227 S CB 2.058 65.269 63.200 0.018 0.000 1.116 227 S HN 2.412 nan 8.310 nan 0.000 0.472 228 A N 1.028 123.857 122.820 0.015 0.000 2.601 228 A HA 0.877 5.199 4.320 0.002 0.000 0.291 228 A C -1.222 176.371 177.584 0.015 0.000 1.075 228 A CA -1.030 51.015 52.037 0.014 0.000 0.671 228 A CB 1.298 20.306 19.000 0.013 0.000 1.277 228 A HN 0.883 nan 8.150 nan 0.000 0.417 229 R N -0.521 119.988 120.500 0.015 0.000 2.867 229 R HA 0.750 5.091 4.340 0.002 0.000 0.268 229 R C 0.567 176.877 176.300 0.017 0.000 1.014 229 R CA 0.047 56.157 56.100 0.016 0.000 0.946 229 R CB 1.885 32.194 30.300 0.014 0.000 1.208 229 R HN 2.421 nan 8.270 nan 0.000 0.477 230 G N 1.176 109.987 108.800 0.019 0.000 2.569 230 G HA2 -0.345 3.616 3.960 0.002 0.000 0.259 230 G HA3 -0.345 3.616 3.960 0.002 0.000 0.259 230 G C -0.494 174.421 174.900 0.025 0.000 1.263 230 G CA 0.225 45.337 45.100 0.020 0.000 0.928 230 G HN 0.719 nan 8.290 nan 0.000 0.572 231 E N 1.340 121.555 120.200 0.025 0.000 2.366 231 E HA 0.423 4.774 4.350 0.002 0.000 0.266 231 E C 1.343 177.962 176.600 0.033 0.000 1.015 231 E CA 1.137 57.556 56.400 0.032 0.000 0.906 231 E CB -0.327 29.390 29.700 0.028 0.000 0.979 231 E HN 2.370 nan 8.360 nan 0.000 0.443 232 G N 4.609 113.435 108.800 0.043 0.000 2.198 232 G HA2 -0.403 3.559 3.960 0.002 0.000 0.260 232 G HA3 -0.403 3.559 3.960 0.002 0.000 0.260 232 G C 0.894 175.804 174.900 0.017 0.000 1.025 232 G CA 0.789 45.909 45.100 0.033 0.000 0.769 232 G HN 0.794 nan 8.290 nan 0.000 0.507 233 R N -0.350 120.162 120.500 0.019 0.000 2.103 233 R HA -0.064 4.277 4.340 0.002 0.000 0.242 233 R C 2.313 178.616 176.300 0.004 0.000 1.142 233 R CA 2.038 58.146 56.100 0.014 0.000 0.960 233 R CB -0.754 29.557 30.300 0.017 0.000 0.858 233 R HN 0.296 nan 8.270 nan 0.000 0.439 234 S N 1.268 116.964 115.700 -0.006 0.000 2.368 234 S HA 0.038 4.509 4.470 0.002 0.000 0.224 234 S C 1.998 176.579 174.600 -0.031 0.000 1.029 234 S CA 1.021 59.207 58.200 -0.024 0.000 0.988 234 S CB -0.201 62.968 63.200 -0.050 0.000 0.838 234 S HN 0.216 nan 8.310 nan 0.000 0.462 235 L N 1.116 122.315 121.223 -0.040 0.000 2.042 235 L HA -0.139 4.202 4.340 0.002 0.000 0.210 235 L C 2.632 179.495 176.870 -0.012 0.000 1.076 235 L CA 1.139 55.958 54.840 -0.035 0.000 0.749 235 L CB -0.381 41.658 42.059 -0.034 0.000 0.893 235 L HN 0.207 nan 8.230 nan 0.000 0.432 236 K N -0.097 120.301 120.400 -0.003 0.000 2.031 236 K HA -0.079 4.242 4.320 0.002 0.000 0.205 236 K C 2.181 178.786 176.600 0.008 0.000 1.049 236 K CA 1.369 57.658 56.287 0.005 0.000 0.939 236 K CB -0.268 32.237 32.500 0.008 0.000 0.717 236 K HN 0.250 nan 8.250 nan 0.000 0.438 237 A N 1.407 124.232 122.820 0.009 0.000 1.908 237 A HA -0.127 4.194 4.320 0.002 0.000 0.218 237 A C 2.358 179.953 177.584 0.018 0.000 1.181 237 A CA 2.124 54.169 52.037 0.014 0.000 0.627 237 A CB -0.535 18.473 19.000 0.015 0.000 0.818 237 A HN 0.332 nan 8.150 nan 0.000 0.445 238 A N -0.619 122.211 122.820 0.015 0.000 1.930 238 A HA -0.130 4.191 4.320 0.002 0.000 0.217 238 A C 2.031 179.631 177.584 0.026 0.000 1.175 238 A CA 1.658 53.710 52.037 0.025 0.000 0.627 238 A CB -0.465 18.546 19.000 0.019 0.000 0.815 238 A HN 0.663 nan 8.150 nan 0.000 0.443 239 E N -0.102 120.108 120.200 0.017 0.000 2.072 239 E HA -0.154 4.197 4.350 0.002 0.000 0.191 239 E C 1.867 178.479 176.600 0.020 0.000 0.985 239 E CA 1.159 57.570 56.400 0.017 0.000 0.801 239 E CB -0.204 29.503 29.700 0.011 0.000 0.750 239 E HN 0.662 nan 8.360 nan 0.000 0.452 240 I N 0.974 121.555 120.570 0.018 0.000 2.179 240 I HA -0.280 3.891 4.170 0.002 0.000 0.242 240 I C 2.599 178.729 176.117 0.023 0.000 1.088 240 I CA 1.119 62.430 61.300 0.019 0.000 1.357 240 I CB -0.351 37.659 38.000 0.017 0.000 1.051 240 I HN 0.180 nan 8.210 nan 0.000 0.409 241 A N 0.922 123.758 122.820 0.027 0.000 1.877 241 A HA -0.173 4.148 4.320 0.002 0.000 0.216 241 A C 2.310 179.915 177.584 0.035 0.000 1.186 241 A CA 1.444 53.500 52.037 0.032 0.000 0.620 241 A CB -0.843 18.179 19.000 0.037 0.000 0.822 241 A HN 0.374 nan 8.150 nan 0.000 0.443 242 I N 0.128 120.721 120.570 0.038 0.000 2.264 242 I HA -0.239 3.932 4.170 0.002 0.000 0.248 242 I C 1.273 177.411 176.117 0.035 0.000 1.111 242 I CA 1.174 62.498 61.300 0.041 0.000 1.382 242 I CB -0.222 37.803 38.000 0.041 0.000 1.060 242 I HN 0.350 nan 8.210 nan 0.000 0.418 243 N N 0.162 118.878 118.700 0.027 0.000 2.230 243 N HA 0.032 4.773 4.740 0.002 0.000 0.202 243 N C 0.447 175.967 175.510 0.018 0.000 1.119 243 N CA 0.065 53.128 53.050 0.021 0.000 0.851 243 N CB 0.417 38.915 38.487 0.018 0.000 0.990 243 N HN 0.054 nan 8.380 nan 0.000 0.497 244 S N 2.143 117.855 115.700 0.020 0.000 2.563 244 S HA 0.028 4.499 4.470 0.002 0.000 0.294 244 S C -1.278 173.328 174.600 0.009 0.000 1.279 244 S CA -0.973 57.236 58.200 0.016 0.000 1.069 244 S CB 0.929 64.140 63.200 0.019 0.000 0.828 244 S HN 0.061 nan 8.310 nan 0.000 0.497 245 P HA -0.101 nan 4.420 nan 0.000 0.218 245 P C 1.076 178.369 177.300 -0.013 0.000 1.146 245 P CA 1.104 64.202 63.100 -0.003 0.000 0.813 245 P CB 0.005 31.705 31.700 0.001 0.000 0.778 246 L N -1.909 119.308 121.223 -0.009 0.000 2.275 246 L HA -0.093 4.248 4.340 0.002 0.000 0.215 246 L C 2.232 179.092 176.870 -0.016 0.000 1.119 246 L CA 0.890 55.719 54.840 -0.018 0.000 0.790 246 L CB -0.801 41.251 42.059 -0.011 0.000 0.919 246 L HN -0.012 nan 8.230 nan 0.000 0.443 247 L N -0.307 120.915 121.223 -0.002 0.000 2.478 247 L HA -0.046 4.295 4.340 0.002 0.000 0.223 247 L C 0.674 177.526 176.870 -0.030 0.000 1.140 247 L CA 0.340 55.183 54.840 0.006 0.000 0.842 247 L CB -0.257 41.822 42.059 0.034 0.000 0.953 247 L HN 0.326 nan 8.230 nan 0.000 0.452 248 E N -0.754 119.422 120.200 -0.039 0.000 2.586 248 E HA -0.303 4.048 4.350 0.002 0.000 0.259 248 E C 0.694 177.263 176.600 -0.051 0.000 1.107 248 E CA 0.258 56.623 56.400 -0.058 0.000 0.754 248 E CB -1.476 28.166 29.700 -0.098 0.000 1.335 248 E HN 0.545 nan 8.360 nan 0.000 0.411 249 A N -0.578 122.230 122.820 -0.020 0.000 2.745 249 A HA -0.301 4.020 4.320 0.002 0.000 0.296 249 A C 1.081 178.666 177.584 0.002 0.000 1.500 249 A CA 1.401 53.437 52.037 -0.003 0.000 0.766 249 A CB -1.712 17.285 19.000 -0.006 0.000 1.030 249 A HN 0.403 nan 8.150 nan 0.000 0.489 250 S N -1.429 114.274 115.700 0.006 0.000 2.593 250 S HA 0.195 4.666 4.470 0.002 0.000 0.236 250 S C 1.243 175.959 174.600 0.193 0.000 0.991 250 S CA 0.548 58.768 58.200 0.034 0.000 0.963 250 S CB 0.258 63.345 63.200 -0.188 0.000 0.865 250 S HN 0.749 nan 8.310 nan 0.000 0.488 251 M N 2.747 122.431 119.600 0.140 0.000 2.117 251 M HA -0.039 4.442 4.480 0.002 0.000 0.262 251 M C 1.542 177.925 176.300 0.139 0.000 1.065 251 M CA 1.833 57.218 55.300 0.143 0.000 1.114 251 M CB -0.515 32.138 32.600 0.089 0.000 1.361 251 M HN 0.205 nan 8.290 nan 0.000 0.408 252 E N -1.036 119.236 120.200 0.119 0.000 2.204 252 E HA -0.101 4.251 4.350 0.002 0.000 0.195 252 E C 1.807 178.520 176.600 0.188 0.000 0.990 252 E CA 1.028 57.496 56.400 0.112 0.000 0.821 252 E CB -0.460 29.282 29.700 0.069 0.000 0.750 252 E HN 0.732 nan 8.360 nan 0.000 0.477 253 G N 0.859 109.794 108.800 0.224 0.000 2.838 253 G HA2 0.183 4.144 3.960 0.002 0.000 0.210 253 G HA3 0.183 4.144 3.960 0.002 0.000 0.210 253 G C 0.501 175.511 174.900 0.183 0.000 1.153 253 G CA 0.196 45.459 45.100 0.271 0.000 0.778 253 G HN 0.246 nan 8.290 nan 0.000 0.539 254 A N 0.338 123.231 122.820 0.121 0.000 2.450 254 A HA 0.476 4.797 4.320 0.002 0.000 0.255 254 A C 1.203 178.659 177.584 -0.213 0.000 1.096 254 A CA -0.163 51.745 52.037 -0.214 0.000 0.778 254 A CB 0.536 19.417 19.000 -0.199 0.000 1.031 254 A HN 0.199 nan 8.150 nan 0.000 0.494 255 Q N 1.458 121.060 119.800 -0.332 0.000 2.402 255 Q HA 0.114 4.455 4.340 0.002 0.000 0.206 255 Q C 0.721 176.588 176.000 -0.221 0.000 0.919 255 Q CA 0.964 56.597 55.803 -0.283 0.000 0.923 255 Q CB 0.664 29.225 28.738 -0.296 0.000 1.048 255 Q HN 0.836 nan 8.270 nan 0.000 0.515 256 G N 0.163 108.810 108.800 -0.254 0.000 2.666 256 G HA2 0.542 4.503 3.960 0.002 0.000 0.303 256 G HA3 0.542 4.503 3.960 0.002 0.000 0.303 256 G C -1.263 173.516 174.900 -0.202 0.000 1.412 256 G CA -0.237 44.737 45.100 -0.210 0.000 0.979 256 G HN -0.061 nan 8.290 nan 0.000 0.507 257 V N 2.883 122.690 119.914 -0.179 0.000 2.623 257 V HA 0.503 4.624 4.120 0.002 0.000 0.304 257 V C -0.947 175.024 176.094 -0.205 0.000 1.054 257 V CA -0.832 61.367 62.300 -0.168 0.000 0.882 257 V CB 1.768 33.498 31.823 -0.154 0.000 1.002 257 V HN 0.739 nan 8.190 nan 0.000 0.424 258 L N 5.560 126.693 121.223 -0.151 0.000 2.305 258 L HA 0.717 5.058 4.340 0.002 0.000 0.284 258 L C -0.554 176.250 176.870 -0.111 0.000 1.013 258 L CA -0.107 54.646 54.840 -0.145 0.000 0.819 258 L CB 1.307 43.317 42.059 -0.083 0.000 1.227 258 L HN 0.791 nan 8.230 nan 0.000 0.417 259 M N 3.966 123.483 119.600 -0.139 0.000 2.311 259 M HA 0.452 4.933 4.480 0.002 0.000 0.325 259 M C -1.046 175.283 176.300 0.049 0.000 1.061 259 M CA -0.242 55.046 55.300 -0.020 0.000 0.957 259 M CB 1.886 34.515 32.600 0.049 0.000 1.646 259 M HN 0.710 nan 8.290 nan 0.000 0.434 260 S N 5.130 120.867 115.700 0.062 0.000 2.478 260 S HA 0.662 5.133 4.470 0.002 0.000 0.312 260 S C -1.161 173.482 174.600 0.070 0.000 1.094 260 S CA -0.757 57.482 58.200 0.065 0.000 1.081 260 S CB 1.004 64.233 63.200 0.049 0.000 1.007 260 S HN 0.748 nan 8.310 nan 0.000 0.475 261 I N 4.660 125.272 120.570 0.070 0.000 2.418 261 I HA 0.748 4.919 4.170 0.002 0.000 0.287 261 I C -0.394 175.747 176.117 0.040 0.000 1.008 261 I CA -0.523 60.808 61.300 0.052 0.000 1.104 261 I CB 1.214 39.241 38.000 0.046 0.000 1.264 261 I HN 0.730 nan 8.210 nan 0.000 0.438 262 A N 5.216 128.056 122.820 0.033 0.000 2.324 262 A HA 0.964 5.285 4.320 0.002 0.000 0.330 262 A C -0.154 177.445 177.584 0.024 0.000 1.165 262 A CA -0.032 52.022 52.037 0.028 0.000 0.813 262 A CB 1.269 20.285 19.000 0.027 0.000 1.197 262 A HN 0.951 nan 8.150 nan 0.000 0.484 263 G N -0.210 108.603 108.800 0.023 0.000 2.550 263 G HA2 0.615 4.576 3.960 0.002 0.000 0.293 263 G HA3 0.615 4.576 3.960 0.002 0.000 0.293 263 G C -0.011 174.902 174.900 0.020 0.000 1.402 263 G CA 0.053 45.165 45.100 0.021 0.000 0.784 263 G HN 1.273 nan 8.290 nan 0.000 0.482 264 G N -0.704 108.107 108.800 0.019 0.000 2.683 264 G HA2 0.388 4.349 3.960 0.002 0.000 0.260 264 G HA3 0.388 4.349 3.960 0.002 0.000 0.260 264 G C 1.240 176.151 174.900 0.019 0.000 1.238 264 G CA 0.716 45.827 45.100 0.019 0.000 0.934 264 G HN 0.877 nan 8.290 nan 0.000 0.534 265 S N 0.067 115.777 115.700 0.018 0.000 2.469 265 S HA -0.113 4.359 4.470 0.002 0.000 0.238 265 S C 1.697 176.309 174.600 0.020 0.000 0.998 265 S CA 1.392 59.603 58.200 0.018 0.000 0.957 265 S CB -0.128 63.082 63.200 0.016 0.000 0.764 265 S HN 0.790 nan 8.310 nan 0.000 0.514 266 D N 0.691 121.103 120.400 0.020 0.000 2.325 266 D HA 0.030 4.671 4.640 0.002 0.000 0.225 266 D C 0.344 176.661 176.300 0.028 0.000 1.096 266 D CA -0.298 53.716 54.000 0.023 0.000 0.844 266 D CB -0.300 40.513 40.800 0.021 0.000 0.925 266 D HN 0.229 nan 8.370 nan 0.000 0.513 267 L N 2.051 123.290 121.223 0.027 0.000 2.500 267 L HA 0.371 4.713 4.340 0.002 0.000 0.272 267 L C 0.519 177.409 176.870 0.034 0.000 1.149 267 L CA 0.058 54.916 54.840 0.029 0.000 0.897 267 L CB 0.575 42.648 42.059 0.024 0.000 1.178 267 L HN 0.054 nan 8.230 nan 0.000 0.473 268 G N 4.785 113.614 108.800 0.049 0.000 2.425 268 G HA2 0.343 4.304 3.960 0.002 0.000 0.302 268 G HA3 0.343 4.304 3.960 0.002 0.000 0.302 268 G C 0.801 175.737 174.900 0.060 0.000 1.159 268 G CA -0.673 44.466 45.100 0.065 0.000 0.865 268 G HN 0.768 nan 8.290 nan 0.000 0.515 269 L N 0.965 122.226 121.223 0.064 0.000 2.083 269 L HA -0.092 4.249 4.340 0.002 0.000 0.209 269 L C 2.510 179.404 176.870 0.040 0.000 1.083 269 L CA 1.181 56.045 54.840 0.040 0.000 0.752 269 L CB -0.340 41.746 42.059 0.045 0.000 0.899 269 L HN 0.672 nan 8.230 nan 0.000 0.433 270 F N 1.667 121.602 119.950 -0.025 0.000 2.065 270 F HA -0.302 4.227 4.527 0.002 0.000 0.298 270 F C 2.556 178.335 175.800 -0.035 0.000 1.112 270 F CA 2.244 60.227 58.000 -0.029 0.000 1.212 270 F CB -0.259 38.728 39.000 -0.021 0.000 0.975 270 F HN 0.251 nan 8.300 nan 0.000 0.476 271 E N 0.239 120.359 120.200 -0.133 0.000 2.152 271 E HA -0.175 4.177 4.350 0.002 0.000 0.192 271 E C 2.291 178.766 176.600 -0.208 0.000 0.983 271 E CA 1.587 57.848 56.400 -0.231 0.000 0.818 271 E CB -0.854 28.835 29.700 -0.019 0.000 0.758 271 E HN 0.550 nan 8.360 nan 0.000 0.467 272 I N 1.789 122.280 120.570 -0.133 0.000 2.208 272 I HA -0.283 3.889 4.170 0.002 0.000 0.245 272 I C 2.393 178.377 176.117 -0.221 0.000 1.097 272 I CA 1.491 62.715 61.300 -0.126 0.000 1.363 272 I CB -0.364 37.594 38.000 -0.070 0.000 1.051 272 I HN 0.164 nan 8.210 nan 0.000 0.413 273 N N 0.435 118.981 118.700 -0.257 0.000 2.142 273 N HA -0.176 4.565 4.740 0.002 0.000 0.186 273 N C 1.795 177.094 175.510 -0.353 0.000 1.023 273 N CA 1.099 53.966 53.050 -0.305 0.000 0.852 273 N CB 0.010 38.358 38.487 -0.232 0.000 0.998 273 N HN 0.181 nan 8.380 nan 0.000 0.424 274 E N 0.241 120.178 120.200 -0.438 0.000 2.085 274 E HA -0.171 4.180 4.350 0.002 0.000 0.194 274 E C 1.813 178.264 176.600 -0.247 0.000 0.994 274 E CA 1.178 57.347 56.400 -0.386 0.000 0.801 274 E CB -0.423 28.981 29.700 -0.493 0.000 0.743 274 E HN 0.467 nan 8.360 nan 0.000 0.453 275 A N 1.397 124.084 122.820 -0.221 0.000 1.873 275 A HA -0.055 4.267 4.320 0.002 0.000 0.215 275 A C 2.444 179.927 177.584 -0.168 0.000 1.186 275 A CA 1.993 53.946 52.037 -0.140 0.000 0.616 275 A CB -0.602 18.345 19.000 -0.088 0.000 0.823 275 A HN 0.273 nan 8.150 nan 0.000 0.442 276 A N -0.640 121.958 122.820 -0.371 0.000 1.883 276 A HA -0.160 4.162 4.320 0.002 0.000 0.217 276 A C 2.505 179.818 177.584 -0.451 0.000 1.186 276 A CA 2.345 53.886 52.037 -0.827 0.000 0.624 276 A CB -1.074 17.090 19.000 -1.394 0.000 0.822 276 A HN 0.602 nan 8.150 nan 0.000 0.444 277 S N -0.869 114.649 115.700 -0.303 0.000 2.370 277 S HA -0.160 4.311 4.470 0.002 0.000 0.226 277 S C 1.934 176.495 174.600 -0.065 0.000 1.033 277 S CA 1.596 59.705 58.200 -0.153 0.000 1.011 277 S CB -0.469 62.645 63.200 -0.143 0.000 0.852 277 S HN 0.479 nan 8.310 nan 0.000 0.457 278 L N 1.676 122.859 121.223 -0.066 0.000 2.017 278 L HA 0.002 4.343 4.340 0.002 0.000 0.208 278 L C 2.336 179.225 176.870 0.032 0.000 1.073 278 L CA 1.717 56.546 54.840 -0.018 0.000 0.745 278 L CB -0.855 41.190 42.059 -0.025 0.000 0.894 278 L HN 0.237 nan 8.230 nan 0.000 0.432 279 V N -0.465 119.495 119.914 0.076 0.000 2.343 279 V HA -0.309 3.813 4.120 0.002 0.000 0.247 279 V C 2.573 178.767 176.094 0.166 0.000 1.051 279 V CA 1.903 64.297 62.300 0.156 0.000 1.036 279 V CB -0.688 31.317 31.823 0.304 0.000 0.654 279 V HN 0.551 nan 8.190 nan 0.000 0.451 280 Q N -0.317 119.599 119.800 0.194 0.000 2.050 280 Q HA -0.250 4.092 4.340 0.002 0.000 0.202 280 Q C 2.065 178.112 176.000 0.078 0.000 0.980 280 Q CA 1.840 57.736 55.803 0.155 0.000 0.840 280 Q CB -0.331 28.489 28.738 0.136 0.000 0.898 280 Q HN 0.621 nan 8.270 nan 0.000 0.424 281 D N 0.228 120.657 120.400 0.049 0.000 2.218 281 D HA -0.103 4.538 4.640 0.002 0.000 0.204 281 D C 1.403 177.719 176.300 0.027 0.000 0.976 281 D CA 1.193 55.209 54.000 0.026 0.000 0.853 281 D CB -0.046 40.761 40.800 0.012 0.000 0.939 281 D HN 0.266 nan 8.370 nan 0.000 0.481 282 A N -0.001 122.843 122.820 0.040 0.000 2.178 282 A HA 0.459 4.780 4.320 0.002 0.000 0.211 282 A C 1.285 178.897 177.584 0.047 0.000 1.157 282 A CA 0.481 52.541 52.037 0.039 0.000 0.780 282 A CB 0.008 19.034 19.000 0.044 0.000 0.828 282 A HN 0.198 nan 8.150 nan 0.000 0.476 283 A N -0.539 122.315 122.820 0.058 0.000 2.257 283 A HA 0.463 4.784 4.320 0.002 0.000 0.289 283 A C 0.285 177.913 177.584 0.074 0.000 1.095 283 A CA -0.476 51.604 52.037 0.072 0.000 0.836 283 A CB -0.178 18.864 19.000 0.071 0.000 1.111 283 A HN 0.470 nan 8.150 nan 0.000 0.497 284 H N 0.499 119.575 119.070 0.010 0.000 2.897 284 H HA 0.054 4.612 4.556 0.003 0.000 0.347 284 H C -1.590 173.739 175.328 0.001 0.000 1.068 284 H CA -0.877 55.174 56.048 0.005 0.000 1.426 284 H CB 0.925 30.683 29.762 -0.006 0.000 1.410 284 H HN 0.240 nan 8.280 nan 0.000 0.597 285 P HA -0.144 nan 4.420 nan 0.000 0.217 285 P C 0.452 177.845 177.300 0.156 0.000 1.151 285 P CA 1.442 64.543 63.100 0.003 0.000 0.849 285 P CB 0.331 31.970 31.700 -0.103 0.000 0.787 286 D N -1.429 119.210 120.400 0.398 0.000 2.340 286 D HA 0.170 4.812 4.640 0.002 0.000 0.217 286 D C 0.635 176.974 176.300 0.064 0.000 1.081 286 D CA 0.016 54.125 54.000 0.181 0.000 0.842 286 D CB -0.293 40.585 40.800 0.129 0.000 0.934 286 D HN 0.083 nan 8.370 nan 0.000 0.511 287 A N 1.241 124.114 122.820 0.089 0.000 2.511 287 A HA 0.053 4.374 4.320 0.002 0.000 0.242 287 A C 0.492 178.051 177.584 -0.042 0.000 1.069 287 A CA -0.152 51.877 52.037 -0.014 0.000 0.763 287 A CB 0.048 19.056 19.000 0.013 0.000 1.001 287 A HN 0.005 nan 8.150 nan 0.000 0.498 288 N N 1.858 120.506 118.700 -0.086 0.000 2.406 288 N HA 0.388 5.129 4.740 0.002 0.000 0.251 288 N C -0.974 174.451 175.510 -0.141 0.000 1.069 288 N CA 0.006 52.998 53.050 -0.096 0.000 0.947 288 N CB -0.050 38.375 38.487 -0.103 0.000 1.111 288 N HN 0.478 nan 8.380 nan 0.000 0.497 289 I N 4.469 124.939 120.570 -0.166 0.000 2.410 289 I HA 0.354 4.525 4.170 0.002 0.000 0.286 289 I C -0.154 175.704 176.117 -0.431 0.000 1.009 289 I CA -0.688 60.409 61.300 -0.337 0.000 1.111 289 I CB 1.449 39.203 38.000 -0.411 0.000 1.262 289 I HN 0.305 nan 8.210 nan 0.000 0.443 290 I N 6.037 126.351 120.570 -0.428 0.000 2.336 290 I HA 0.350 4.522 4.170 0.002 0.000 0.292 290 I C -0.838 175.017 176.117 -0.437 0.000 0.991 290 I CA -0.373 60.738 61.300 -0.314 0.000 1.227 290 I CB 1.143 39.046 38.000 -0.161 0.000 1.366 290 I HN 0.364 nan 8.210 nan 0.000 0.466 291 F N 4.154 124.098 119.950 -0.011 0.000 2.427 291 F HA 0.659 5.187 4.527 0.001 0.000 0.346 291 F C 0.744 176.542 175.800 -0.003 0.000 1.120 291 F CA -0.461 57.534 58.000 -0.008 0.000 1.033 291 F CB 1.900 40.893 39.000 -0.012 0.000 1.126 291 F HN 0.400 nan 8.300 nan 0.000 0.462 292 G N 0.762 109.661 108.800 0.166 0.000 2.642 292 G HA2 0.675 4.636 3.960 0.002 0.000 0.293 292 G HA3 0.675 4.636 3.960 0.002 0.000 0.293 292 G C -1.287 173.668 174.900 0.091 0.000 1.341 292 G CA -0.865 44.296 45.100 0.102 0.000 0.916 292 G HN 0.597 nan 8.290 nan 0.000 0.474 293 T N -2.668 111.925 114.554 0.066 0.000 2.906 293 T HA 0.748 5.099 4.350 0.002 0.000 0.295 293 T C -1.134 173.592 174.700 0.044 0.000 1.075 293 T CA -0.765 61.367 62.100 0.053 0.000 1.005 293 T CB 1.961 70.854 68.868 0.043 0.000 1.136 293 T HN 0.671 nan 8.240 nan 0.000 0.498 294 V N 2.464 122.401 119.914 0.038 0.000 2.656 294 V HA 0.463 4.584 4.120 0.002 0.000 0.307 294 V C -0.433 175.678 176.094 0.028 0.000 1.051 294 V CA -1.103 61.217 62.300 0.033 0.000 0.893 294 V CB 1.898 33.740 31.823 0.032 0.000 0.999 294 V HN 0.848 nan 8.190 nan 0.000 0.426 295 I N 3.652 124.237 120.570 0.026 0.000 2.352 295 I HA 0.382 4.553 4.170 0.002 0.000 0.290 295 I C -0.404 175.726 176.117 0.021 0.000 1.036 295 I CA 0.273 61.586 61.300 0.022 0.000 1.336 295 I CB 1.023 39.036 38.000 0.021 0.000 1.407 295 I HN 0.629 nan 8.210 nan 0.000 0.497 296 D N 5.680 126.092 120.400 0.020 0.000 2.358 296 D HA 0.178 4.819 4.640 0.002 0.000 0.253 296 D C 0.413 176.723 176.300 0.017 0.000 1.288 296 D CA -0.316 53.695 54.000 0.019 0.000 0.950 296 D CB 1.045 41.856 40.800 0.019 0.000 1.197 296 D HN 0.339 nan 8.370 nan 0.000 0.550 297 D N 0.743 121.153 120.400 0.016 0.000 2.348 297 D HA -0.117 4.525 4.640 0.002 0.000 0.216 297 D C 1.677 177.986 176.300 0.014 0.000 0.970 297 D CA 0.567 54.576 54.000 0.015 0.000 0.889 297 D CB 0.375 41.183 40.800 0.014 0.000 0.912 297 D HN 0.426 nan 8.370 nan 0.000 0.524 298 S N -0.389 115.319 115.700 0.014 0.000 2.562 298 S HA 0.032 4.503 4.470 0.002 0.000 0.221 298 S C 1.909 176.517 174.600 0.013 0.000 0.975 298 S CA -0.026 58.182 58.200 0.013 0.000 0.918 298 S CB -0.231 62.976 63.200 0.013 0.000 0.772 298 S HN 0.211 nan 8.310 nan 0.000 0.531 299 L N 0.910 122.142 121.223 0.014 0.000 2.395 299 L HA 0.238 4.579 4.340 0.002 0.000 0.218 299 L C 2.006 178.884 176.870 0.014 0.000 1.130 299 L CA 0.426 55.275 54.840 0.014 0.000 0.826 299 L CB -1.151 40.917 42.059 0.016 0.000 0.941 299 L HN 0.656 nan 8.230 nan 0.000 0.451 300 G N 1.633 110.441 108.800 0.013 0.000 2.536 300 G HA2 -0.412 3.549 3.960 0.002 0.000 0.280 300 G HA3 -0.412 3.549 3.960 0.002 0.000 0.280 300 G C 0.367 175.276 174.900 0.014 0.000 1.152 300 G CA 0.352 45.460 45.100 0.013 0.000 0.970 300 G HN 0.466 nan 8.290 nan 0.000 0.549 301 D N 1.926 122.335 120.400 0.014 0.000 2.328 301 D HA 0.173 4.814 4.640 0.002 0.000 0.226 301 D C 0.870 177.180 176.300 0.017 0.000 1.066 301 D CA 1.043 55.052 54.000 0.016 0.000 0.861 301 D CB -0.181 40.628 40.800 0.015 0.000 0.912 301 D HN 0.986 nan 8.370 nan 0.000 0.521 302 E N 0.438 120.648 120.200 0.016 0.000 2.222 302 E HA 0.411 4.762 4.350 0.002 0.000 0.272 302 E C -0.376 176.234 176.600 0.017 0.000 0.982 302 E CA -1.153 55.257 56.400 0.016 0.000 0.842 302 E CB 2.136 31.845 29.700 0.015 0.000 1.144 302 E HN -0.023 nan 8.360 nan 0.000 0.397 303 V N 0.423 120.347 119.914 0.017 0.000 2.715 303 V HA 0.654 4.775 4.120 0.002 0.000 0.310 303 V C -0.539 175.566 176.094 0.018 0.000 1.054 303 V CA -1.115 61.195 62.300 0.018 0.000 0.928 303 V CB 1.581 33.413 31.823 0.015 0.000 1.007 303 V HN 0.853 nan 8.190 nan 0.000 0.437 304 R N 2.671 123.184 120.500 0.021 0.000 2.409 304 R HA 0.762 5.104 4.340 0.002 0.000 0.313 304 R C -1.914 174.403 176.300 0.028 0.000 0.953 304 R CA -0.456 55.658 56.100 0.023 0.000 0.849 304 R CB 2.048 32.361 30.300 0.022 0.000 1.171 304 R HN 0.761 nan 8.270 nan 0.000 0.458 305 V N 3.801 123.733 119.914 0.030 0.000 2.435 305 V HA 0.444 4.565 4.120 0.002 0.000 0.290 305 V C -0.296 175.822 176.094 0.040 0.000 1.030 305 V CA -0.437 61.887 62.300 0.039 0.000 0.881 305 V CB 1.996 33.843 31.823 0.041 0.000 0.983 305 V HN 0.817 nan 8.190 nan 0.000 0.445 306 T N 4.124 118.705 114.554 0.044 0.000 2.824 306 T HA 0.628 4.980 4.350 0.002 0.000 0.282 306 T C -0.637 174.087 174.700 0.041 0.000 0.993 306 T CA -0.466 61.658 62.100 0.040 0.000 0.967 306 T CB 1.824 70.715 68.868 0.038 0.000 0.960 306 T HN 0.313 nan 8.240 nan 0.000 0.441 307 V N 4.595 124.532 119.914 0.038 0.000 2.487 307 V HA 0.473 4.594 4.120 0.002 0.000 0.298 307 V C -0.706 175.406 176.094 0.029 0.000 1.028 307 V CA -0.916 61.401 62.300 0.028 0.000 0.860 307 V CB 1.592 33.437 31.823 0.037 0.000 0.991 307 V HN 0.737 nan 8.190 nan 0.000 0.427 308 I N 4.412 124.990 120.570 0.012 0.000 2.330 308 I HA 0.651 4.822 4.170 0.002 0.000 0.289 308 I C 0.410 176.524 176.117 -0.005 0.000 1.001 308 I CA -0.477 60.835 61.300 0.020 0.000 1.193 308 I CB 1.343 39.353 38.000 0.016 0.000 1.345 308 I HN 0.661 nan 8.210 nan 0.000 0.461 309 A N 5.459 128.304 122.820 0.041 0.000 2.318 309 A HA 0.932 5.253 4.320 0.002 0.000 0.324 309 A C -0.187 177.338 177.584 -0.098 0.000 1.170 309 A CA -0.326 51.712 52.037 0.002 0.000 0.810 309 A CB 1.261 20.361 19.000 0.167 0.000 1.198 309 A HN 0.872 nan 8.150 nan 0.000 0.484 310 A N 0.985 123.541 122.820 -0.440 0.000 2.530 310 A HA 0.867 5.189 4.320 0.002 0.000 0.288 310 A C 0.528 177.557 177.584 -0.926 0.000 1.172 310 A CA -0.200 51.455 52.037 -0.637 0.000 0.733 310 A CB 0.591 19.433 19.000 -0.264 0.000 1.320 310 A HN 2.715 nan 8.150 nan 0.000 0.419 311 G N -0.466 107.916 108.800 -0.697 0.000 2.422 311 G HA2 -0.103 3.858 3.960 0.002 0.000 0.290 311 G HA3 -0.103 3.858 3.960 0.002 0.000 0.290 311 G C -0.300 174.302 174.900 -0.498 0.000 1.059 311 G CA 0.451 45.281 45.100 -0.449 0.000 1.242 311 G HN 0.840 nan 8.290 nan 0.000 0.520 312 F N 0.000 119.919 119.950 -0.052 0.000 2.286 312 F HA 0.000 4.528 4.527 0.002 0.000 0.279 312 F CA 0.000 57.975 58.000 -0.042 0.000 1.383 312 F CB 0.000 38.985 39.000 -0.024 0.000 1.145 312 F HN 0.000 nan 8.300 nan 0.000 0.574