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 3oee_1_K DATA FIRST_RESID 21 DATA SEQUENCE VSDEANLNET GRVLAVGDGI ARVFGLNNIQ AEELVEFSSG VKGMALNLEP DATA SEQUENCE GQVGIVLFGS DRLVKEGELV KRTGNIVDVP VGPGLLGRVV DALGNPIDGK DATA SEQUENCE GPIDAAGRSR AQVKAPGILP RRSVHEPVQT GLKAVDALVP IGRGQRELII DATA SEQUENCE GDRQTGKTAV ALDTILNQKR WNNGSDESKK LYCVYVAVGQ KRSTVAQLVQ DATA SEQUENCE TLEQHDAMKY SIIVAATASE AAPLQYLAPF TAASIGEWFR DNGKHALIVY DATA SEQUENCE DDLSKQAVAY RQLSLLLRRP PGREAYPGDV FYLHSRLLER AAKLSEKEGS DATA SEQUENCE GSLTALPVIE TQGGDVSAYI PTNVISITDG QIFLEAELFY KGIRPAINVG DATA SEQUENCE LSVSRVGSAA QVKALKQVAG SLKLFLAQYR EVAASAQXXX DLDASTKQTL DATA SEQUENCE VRGERLTQLL KQNQYSPLAT EEQVPLIYAG VNGHLDGIEL SRIGEFESSF DATA SEQUENCE LSYLKSNHNE LLTEIREKGE LSKELLASLK SATESFVAT 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 21 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 176.121 176.094 0.046 0.000 1.182 21 V CA 0.000 62.320 62.300 0.033 0.000 1.235 21 V CB 0.000 31.843 31.823 0.033 0.000 1.184 22 S N 2.325 118.052 115.700 0.046 0.000 2.877 22 S HA 0.566 5.036 4.470 -0.000 0.000 0.230 22 S C 1.195 175.848 174.600 0.089 0.000 0.999 22 S CA 1.520 59.750 58.200 0.051 0.000 0.866 22 S CB -0.058 63.154 63.200 0.020 0.000 0.819 22 S HN 2.361 nan 8.310 nan 0.000 0.607 23 D N 1.530 121.973 120.400 0.071 0.000 2.570 23 D HA 0.418 5.057 4.640 -0.000 0.000 0.243 23 D C 1.017 177.391 176.300 0.124 0.000 1.171 23 D CA 0.701 54.754 54.000 0.089 0.000 0.879 23 D CB -0.980 39.853 40.800 0.055 0.000 1.143 23 D HN 0.761 nan 8.370 nan 0.000 0.511 24 E N 0.439 120.759 120.200 0.201 0.000 2.284 24 E HA -0.009 4.341 4.350 -0.000 0.000 0.200 24 E C 2.487 179.110 176.600 0.039 0.000 1.008 24 E CA 2.055 58.551 56.400 0.159 0.000 0.829 24 E CB -0.704 29.084 29.700 0.146 0.000 0.744 24 E HN 1.304 nan 8.360 nan 0.000 0.491 25 A N 1.242 124.088 122.820 0.044 0.000 1.940 25 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 25 A C 2.060 179.651 177.584 0.012 0.000 1.176 25 A CA 1.796 53.844 52.037 0.018 0.000 0.631 25 A CB -0.210 18.803 19.000 0.022 0.000 0.814 25 A HN 0.530 nan 8.150 nan 0.000 0.446 26 N N -0.417 118.298 118.700 0.025 0.000 2.395 26 N HA 0.079 4.819 4.740 -0.000 0.000 0.175 26 N C 0.377 175.896 175.510 0.015 0.000 1.029 26 N CA 0.282 53.343 53.050 0.019 0.000 0.897 26 N CB -0.231 38.272 38.487 0.026 0.000 0.991 26 N HN 0.418 nan 8.380 nan 0.000 0.441 27 L N 2.039 123.276 121.223 0.024 0.000 2.436 27 L HA 0.120 4.460 4.340 -0.000 0.000 0.244 27 L C 0.997 177.850 176.870 -0.028 0.000 1.396 27 L CA 0.032 54.881 54.840 0.015 0.000 1.217 27 L CB -0.436 41.657 42.059 0.057 0.000 1.420 27 L HN 0.119 nan 8.230 nan 0.000 0.434 28 N N -0.244 118.441 118.700 -0.024 0.000 2.460 28 N HA 0.018 4.758 4.740 -0.000 0.000 0.193 28 N C 1.000 176.490 175.510 -0.034 0.000 1.080 28 N CA 0.274 53.303 53.050 -0.035 0.000 0.869 28 N CB 0.859 39.330 38.487 -0.026 0.000 1.201 28 N HN 0.463 nan 8.380 nan 0.000 0.457 29 E N 0.751 120.935 120.200 -0.026 0.000 2.562 29 E HA 0.084 4.434 4.350 -0.000 0.000 0.214 29 E C -0.232 176.348 176.600 -0.033 0.000 0.979 29 E CA 0.272 56.654 56.400 -0.029 0.000 1.002 29 E CB 1.241 30.928 29.700 -0.021 0.000 1.048 29 E HN 0.285 nan 8.360 nan 0.000 0.488 30 T N -2.447 112.091 114.554 -0.027 0.000 2.896 30 T HA 0.733 5.082 4.350 -0.000 0.000 0.297 30 T C 0.149 174.843 174.700 -0.010 0.000 1.108 30 T CA -0.877 61.208 62.100 -0.025 0.000 1.004 30 T CB 2.356 71.220 68.868 -0.006 0.000 1.159 30 T HN -0.022 nan 8.240 nan 0.000 0.499 31 G N 0.481 109.279 108.800 -0.003 0.000 2.630 31 G HA2 0.681 4.641 3.960 -0.000 0.000 0.296 31 G HA3 0.681 4.641 3.960 -0.000 0.000 0.296 31 G C -1.144 173.811 174.900 0.091 0.000 1.285 31 G CA -1.018 44.110 45.100 0.046 0.000 0.958 31 G HN 0.637 nan 8.290 nan 0.000 0.479 32 R N -0.170 120.425 120.500 0.160 0.000 2.532 32 R HA 0.438 4.778 4.340 -0.000 0.000 0.295 32 R C -0.413 175.982 176.300 0.158 0.000 0.968 32 R CA -0.754 55.433 56.100 0.144 0.000 0.916 32 R CB 1.835 32.210 30.300 0.124 0.000 1.124 32 R HN 0.294 nan 8.270 nan 0.000 0.463 33 V N 5.422 125.420 119.914 0.140 0.000 2.470 33 V HA 0.034 4.153 4.120 -0.000 0.000 0.276 33 V C 1.824 177.972 176.094 0.090 0.000 1.040 33 V CA 0.146 62.530 62.300 0.139 0.000 1.008 33 V CB 0.543 32.448 31.823 0.136 0.000 0.990 33 V HN 0.657 nan 8.190 nan 0.000 0.477 34 L N 4.021 125.301 121.223 0.096 0.000 2.162 34 L HA 0.388 4.728 4.340 -0.000 0.000 0.205 34 L C 0.963 177.855 176.870 0.035 0.000 1.086 34 L CA 1.244 56.120 54.840 0.060 0.000 0.778 34 L CB -0.031 42.078 42.059 0.085 0.000 0.928 34 L HN 0.811 nan 8.230 nan 0.000 0.446 35 A N -1.123 121.720 122.820 0.038 0.000 2.599 35 A HA 0.623 4.943 4.320 -0.000 0.000 0.294 35 A C -1.773 175.814 177.584 0.003 0.000 1.055 35 A CA -0.395 51.651 52.037 0.015 0.000 0.683 35 A CB 1.672 20.681 19.000 0.014 0.000 1.278 35 A HN -0.239 nan 8.150 nan 0.000 0.412 36 V N 0.290 120.193 119.914 -0.018 0.000 2.777 36 V HA 0.910 5.030 4.120 -0.000 0.000 0.306 36 V C -0.166 175.904 176.094 -0.040 0.000 1.112 36 V CA 0.879 63.153 62.300 -0.043 0.000 0.917 36 V CB 1.934 33.706 31.823 -0.084 0.000 1.018 36 V HN 2.486 nan 8.190 nan 0.000 0.426 37 G N 3.298 112.074 108.800 -0.041 0.000 2.442 37 G HA2 0.513 4.473 3.960 -0.000 0.000 0.296 37 G HA3 0.513 4.473 3.960 -0.000 0.000 0.296 37 G C -0.873 174.008 174.900 -0.033 0.000 1.564 37 G CA 0.114 45.194 45.100 -0.033 0.000 0.828 37 G HN 0.889 nan 8.290 nan 0.000 0.571 38 D N -0.697 119.686 120.400 -0.029 0.000 2.751 38 D HA -0.110 4.530 4.640 -0.000 0.000 0.233 38 D C 1.670 177.953 176.300 -0.029 0.000 1.149 38 D CA 2.997 56.981 54.000 -0.026 0.000 0.682 38 D CB -1.162 39.623 40.800 -0.025 0.000 1.068 38 D HN 2.222 nan 8.370 nan 0.000 0.429 39 G N -1.159 107.620 108.800 -0.035 0.000 2.168 39 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.257 39 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.257 39 G C 0.158 175.026 174.900 -0.053 0.000 0.997 39 G CA 0.433 45.508 45.100 -0.041 0.000 0.708 39 G HN 0.503 nan 8.290 nan 0.000 0.520 40 I N 0.291 120.831 120.570 -0.051 0.000 2.498 40 I HA 0.694 4.864 4.170 -0.000 0.000 0.290 40 I C 0.351 176.444 176.117 -0.041 0.000 1.032 40 I CA -1.191 60.085 61.300 -0.040 0.000 1.073 40 I CB 1.534 39.521 38.000 -0.021 0.000 1.251 40 I HN 0.301 nan 8.210 nan 0.000 0.426 41 A N 7.168 129.973 122.820 -0.026 0.000 2.292 41 A HA 0.723 5.043 4.320 -0.000 0.000 0.319 41 A C -0.088 177.536 177.584 0.067 0.000 1.206 41 A CA -0.670 51.370 52.037 0.005 0.000 0.835 41 A CB 0.779 19.771 19.000 -0.013 0.000 1.164 41 A HN 0.700 nan 8.150 nan 0.000 0.505 42 R N 1.499 122.037 120.500 0.063 0.000 2.255 42 R HA 0.538 4.877 4.340 -0.000 0.000 0.326 42 R C -1.332 175.034 176.300 0.110 0.000 0.986 42 R CA -0.368 55.777 56.100 0.075 0.000 0.847 42 R CB 1.666 31.999 30.300 0.055 0.000 1.111 42 R HN 0.467 nan 8.270 nan 0.000 0.452 43 V N 4.736 124.722 119.914 0.119 0.000 2.487 43 V HA 0.307 4.427 4.120 -0.000 0.000 0.298 43 V C -0.416 175.768 176.094 0.151 0.000 1.028 43 V CA -0.908 61.478 62.300 0.144 0.000 0.860 43 V CB 1.452 33.349 31.823 0.124 0.000 0.991 43 V HN 0.560 nan 8.190 nan 0.000 0.427 44 F N 3.930 123.897 119.950 0.028 0.000 2.410 44 F HA 0.669 5.196 4.527 -0.000 0.000 0.334 44 F C 1.163 176.970 175.800 0.010 0.000 1.134 44 F CA 1.743 59.753 58.000 0.017 0.000 1.227 44 F CB 1.064 40.073 39.000 0.016 0.000 1.194 44 F HN 0.921 nan 8.300 nan 0.000 0.571 45 G N 3.486 111.954 108.800 -0.554 0.000 2.527 45 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.268 45 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.268 45 G C 0.197 175.000 174.900 -0.161 0.000 1.175 45 G CA -0.226 44.690 45.100 -0.306 0.000 0.962 45 G HN 1.438 nan 8.290 nan 0.000 0.560 46 L N -0.260 120.912 121.223 -0.085 0.000 3.660 46 L HA -0.212 4.127 4.340 -0.000 0.000 0.440 46 L C 1.566 178.389 176.870 -0.079 0.000 1.262 46 L CA 0.552 55.350 54.840 -0.071 0.000 0.837 46 L CB -1.226 40.796 42.059 -0.063 0.000 1.689 46 L HN 0.664 nan 8.230 nan 0.000 0.890 47 N N 0.199 118.847 118.700 -0.087 0.000 2.309 47 N HA -0.081 4.659 4.740 -0.000 0.000 0.182 47 N C 1.189 176.665 175.510 -0.057 0.000 1.018 47 N CA 1.250 54.250 53.050 -0.084 0.000 0.876 47 N CB -0.075 38.361 38.487 -0.085 0.000 0.972 47 N HN 0.570 nan 8.380 nan 0.000 0.434 48 N N 0.668 119.340 118.700 -0.046 0.000 2.270 48 N HA 0.096 4.836 4.740 -0.000 0.000 0.198 48 N C 0.316 175.807 175.510 -0.031 0.000 1.117 48 N CA -0.113 52.916 53.050 -0.034 0.000 0.845 48 N CB 0.823 39.294 38.487 -0.028 0.000 0.980 48 N HN 0.305 nan 8.380 nan 0.000 0.486 49 I N 1.677 122.225 120.570 -0.036 0.000 2.618 49 I HA -0.077 4.093 4.170 -0.000 0.000 0.284 49 I C 0.239 176.343 176.117 -0.022 0.000 1.146 49 I CA -0.148 61.133 61.300 -0.031 0.000 1.425 49 I CB 0.589 38.566 38.000 -0.038 0.000 1.383 49 I HN 0.000 nan 8.210 nan 0.000 0.562 50 Q N 5.659 125.450 119.800 -0.015 0.000 2.354 50 Q HA 0.427 4.767 4.340 -0.000 0.000 0.244 50 Q C -0.040 175.958 176.000 -0.002 0.000 0.969 50 Q CA -0.773 55.025 55.803 -0.007 0.000 0.885 50 Q CB 1.031 29.767 28.738 -0.003 0.000 1.241 50 Q HN 0.776 nan 8.270 nan 0.000 0.461 51 A N 1.990 124.812 122.820 0.002 0.000 2.520 51 A HA 0.071 4.390 4.320 -0.000 0.000 0.245 51 A C 0.160 177.753 177.584 0.016 0.000 1.072 51 A CA 0.199 52.242 52.037 0.009 0.000 0.761 51 A CB -0.155 18.852 19.000 0.011 0.000 1.004 51 A HN 0.978 nan 8.150 nan 0.000 0.499 52 E N -0.632 119.582 120.200 0.024 0.000 3.547 52 E HA -0.184 4.165 4.350 -0.000 0.000 0.309 52 E C 0.051 176.677 176.600 0.043 0.000 0.855 52 E CA 1.162 57.585 56.400 0.037 0.000 1.122 52 E CB -1.395 28.325 29.700 0.033 0.000 1.569 52 E HN 0.918 nan 8.360 nan 0.000 0.429 53 E N 0.818 121.036 120.200 0.029 0.000 2.338 53 E HA 0.297 4.647 4.350 -0.000 0.000 0.272 53 E C -0.124 176.504 176.600 0.047 0.000 1.029 53 E CA -0.349 56.068 56.400 0.027 0.000 0.872 53 E CB 0.690 30.392 29.700 0.004 0.000 1.015 53 E HN 0.142 nan 8.360 nan 0.000 0.417 54 L N 4.498 125.761 121.223 0.068 0.000 2.456 54 L HA 0.125 4.465 4.340 -0.000 0.000 0.272 54 L C -0.019 176.867 176.870 0.027 0.000 1.189 54 L CA -0.068 54.834 54.840 0.103 0.000 0.846 54 L CB 0.738 42.857 42.059 0.101 0.000 1.111 54 L HN 0.455 nan 8.230 nan 0.000 0.475 55 V N 0.566 120.480 119.914 0.001 0.000 3.126 55 V HA 0.644 4.764 4.120 -0.000 0.000 0.314 55 V C -0.834 175.180 176.094 -0.133 0.000 1.138 55 V CA -0.811 61.409 62.300 -0.133 0.000 1.034 55 V CB 1.964 33.604 31.823 -0.304 0.000 1.075 55 V HN 0.806 nan 8.190 nan 0.000 0.442 56 E N 0.757 120.828 120.200 -0.215 0.000 2.234 56 E HA 0.566 4.916 4.350 -0.000 0.000 0.266 56 E C -1.863 174.591 176.600 -0.243 0.000 0.877 56 E CA -0.678 55.656 56.400 -0.110 0.000 0.758 56 E CB 1.825 31.510 29.700 -0.024 0.000 1.170 56 E HN 0.634 nan 8.360 nan 0.000 0.415 57 F N 1.948 121.919 119.950 0.036 0.000 2.399 57 F HA 0.134 4.661 4.527 -0.000 0.000 0.328 57 F C 1.998 177.814 175.800 0.027 0.000 1.084 57 F CA -0.033 57.984 58.000 0.028 0.000 1.053 57 F CB 1.632 40.647 39.000 0.025 0.000 1.209 57 F HN 0.644 nan 8.300 nan 0.000 0.502 58 S N 1.262 117.087 115.700 0.208 0.000 2.426 58 S HA -0.338 4.132 4.470 -0.000 0.000 0.253 58 S C 1.945 176.612 174.600 0.113 0.000 1.104 58 S CA 2.536 60.812 58.200 0.127 0.000 1.158 58 S CB -0.997 62.270 63.200 0.112 0.000 1.043 58 S HN 0.762 nan 8.310 nan 0.000 0.443 59 S N -0.278 115.501 115.700 0.132 0.000 2.607 59 S HA 0.440 4.910 4.470 -0.000 0.000 0.224 59 S C 1.678 176.334 174.600 0.093 0.000 0.969 59 S CA 0.832 59.087 58.200 0.090 0.000 0.927 59 S CB -0.335 62.904 63.200 0.065 0.000 0.772 59 S HN 1.797 nan 8.310 nan 0.000 0.533 60 G N 0.111 108.985 108.800 0.123 0.000 2.195 60 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.224 60 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.224 60 G C 0.093 175.078 174.900 0.142 0.000 0.990 60 G CA -0.077 45.088 45.100 0.109 0.000 0.639 60 G HN 0.717 nan 8.290 nan 0.000 0.514 61 V N 1.883 121.909 119.914 0.186 0.000 2.775 61 V HA 0.547 4.667 4.120 -0.000 0.000 0.299 61 V C 0.410 176.712 176.094 0.347 0.000 1.062 61 V CA -0.289 62.139 62.300 0.214 0.000 1.063 61 V CB 1.213 33.115 31.823 0.132 0.000 0.994 61 V HN 0.246 nan 8.190 nan 0.000 0.483 62 K N 4.026 124.626 120.400 0.334 0.000 2.095 62 K HA 0.719 5.039 4.320 -0.000 0.000 0.252 62 K C 0.033 176.909 176.600 0.461 0.000 0.977 62 K CA -0.147 56.373 56.287 0.390 0.000 0.900 62 K CB 1.796 34.521 32.500 0.376 0.000 1.060 62 K HN 0.903 nan 8.250 nan 0.000 0.449 63 G N 0.197 109.203 108.800 0.344 0.000 2.727 63 G HA2 0.596 4.556 3.960 -0.000 0.000 0.289 63 G HA3 0.596 4.556 3.960 -0.000 0.000 0.289 63 G C -1.561 173.306 174.900 -0.056 0.000 1.418 63 G CA -0.645 44.459 45.100 0.007 0.000 0.818 63 G HN 0.432 nan 8.290 nan 0.000 0.486 64 M N 1.112 120.553 119.600 -0.265 0.000 2.259 64 M HA 0.635 5.115 4.480 -0.000 0.000 0.304 64 M C -0.064 176.217 176.300 -0.031 0.000 1.019 64 M CA -0.824 54.441 55.300 -0.060 0.000 0.922 64 M CB 1.763 34.347 32.600 -0.028 0.000 1.600 64 M HN 0.728 nan 8.290 nan 0.000 0.433 65 A N 4.224 127.047 122.820 0.005 0.000 2.491 65 A HA 0.306 4.626 4.320 -0.000 0.000 0.261 65 A C -0.005 177.590 177.584 0.018 0.000 1.101 65 A CA -0.229 51.812 52.037 0.006 0.000 0.772 65 A CB 0.171 19.171 19.000 -0.001 0.000 1.043 65 A HN 0.956 nan 8.150 nan 0.000 0.501 66 L N 2.573 123.807 121.223 0.019 0.000 2.541 66 L HA 0.289 4.629 4.340 -0.000 0.000 0.187 66 L C 0.501 177.386 176.870 0.025 0.000 1.098 66 L CA 1.239 56.098 54.840 0.031 0.000 0.846 66 L CB -0.121 41.959 42.059 0.035 0.000 1.151 66 L HN 0.834 nan 8.230 nan 0.000 0.492 67 N N 0.477 119.188 118.700 0.018 0.000 2.446 67 N HA 0.387 5.127 4.740 -0.000 0.000 0.265 67 N C -1.501 174.013 175.510 0.007 0.000 0.975 67 N CA -0.412 52.646 53.050 0.014 0.000 0.928 67 N CB 0.638 39.132 38.487 0.013 0.000 1.160 67 N HN 0.184 nan 8.380 nan 0.000 0.495 68 L N 1.336 122.560 121.223 0.002 0.000 2.288 68 L HA 0.403 4.743 4.340 -0.000 0.000 0.283 68 L C 0.242 177.106 176.870 -0.010 0.000 1.072 68 L CA -0.581 54.254 54.840 -0.009 0.000 0.862 68 L CB -0.053 41.998 42.059 -0.013 0.000 1.245 68 L HN 0.548 nan 8.230 nan 0.000 0.432 69 E N 4.078 124.272 120.200 -0.010 0.000 2.280 69 E HA 0.352 4.702 4.350 -0.000 0.000 0.261 69 E C -2.198 174.389 176.600 -0.022 0.000 1.088 69 E CA -1.846 54.548 56.400 -0.009 0.000 0.915 69 E CB 0.701 30.401 29.700 0.000 0.000 1.141 69 E HN 0.360 nan 8.360 nan 0.000 0.433 70 P HA 0.044 nan 4.420 nan 0.000 0.270 70 P C 0.330 177.610 177.300 -0.033 0.000 1.242 70 P CA 0.419 63.502 63.100 -0.028 0.000 0.768 70 P CB 0.603 32.294 31.700 -0.015 0.000 0.820 71 G N 2.809 111.562 108.800 -0.078 0.000 2.199 71 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.254 71 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.254 71 G C -0.097 174.746 174.900 -0.094 0.000 0.982 71 G CA 0.430 45.465 45.100 -0.108 0.000 0.632 71 G HN 0.808 nan 8.290 nan 0.000 0.529 72 Q N -1.612 118.157 119.800 -0.052 0.000 2.575 72 Q HA 0.740 5.080 4.340 -0.000 0.000 0.290 72 Q C -1.422 174.570 176.000 -0.013 0.000 0.963 72 Q CA -1.200 54.597 55.803 -0.010 0.000 0.783 72 Q CB 2.328 31.104 28.738 0.063 0.000 1.467 72 Q HN 0.567 nan 8.270 nan 0.000 0.402 73 V N 0.653 120.573 119.914 0.009 0.000 2.525 73 V HA 0.719 4.839 4.120 -0.000 0.000 0.299 73 V C 0.027 176.141 176.094 0.034 0.000 1.034 73 V CA -0.346 61.960 62.300 0.009 0.000 0.863 73 V CB 1.713 33.532 31.823 -0.005 0.000 0.999 73 V HN 0.875 nan 8.190 nan 0.000 0.423 74 G N 4.544 113.360 108.800 0.027 0.000 2.339 74 G HA2 0.658 4.617 3.960 -0.000 0.000 0.287 74 G HA3 0.658 4.617 3.960 -0.000 0.000 0.287 74 G C -0.837 174.084 174.900 0.035 0.000 1.163 74 G CA -0.181 44.938 45.100 0.033 0.000 0.872 74 G HN 0.585 nan 8.290 nan 0.000 0.464 75 I N 1.995 122.598 120.570 0.055 0.000 2.465 75 I HA 0.203 4.373 4.170 -0.000 0.000 0.291 75 I C -0.130 175.991 176.117 0.007 0.000 1.014 75 I CA -0.853 60.481 61.300 0.057 0.000 1.093 75 I CB 2.566 40.665 38.000 0.166 0.000 1.267 75 I HN 0.146 nan 8.210 nan 0.000 0.431 76 V N 6.964 126.832 119.914 -0.076 0.000 2.461 76 V HA 0.260 4.379 4.120 -0.000 0.000 0.275 76 V C 0.267 176.177 176.094 -0.308 0.000 1.047 76 V CA -0.514 61.697 62.300 -0.149 0.000 0.955 76 V CB 0.835 32.584 31.823 -0.124 0.000 0.988 76 V HN 0.432 nan 8.190 nan 0.000 0.471 77 L N 5.042 126.143 121.223 -0.204 0.000 2.331 77 L HA 0.371 4.710 4.340 -0.000 0.000 0.278 77 L C 0.084 176.863 176.870 -0.152 0.000 1.106 77 L CA -0.224 54.505 54.840 -0.185 0.000 0.824 77 L CB 0.374 42.344 42.059 -0.148 0.000 1.142 77 L HN 0.513 nan 8.230 nan 0.000 0.443 78 F N 1.897 121.897 119.950 0.083 0.000 2.898 78 F HA 0.441 4.968 4.527 -0.000 0.000 0.290 78 F C 1.069 176.898 175.800 0.049 0.000 1.195 78 F CA -0.477 57.563 58.000 0.066 0.000 1.387 78 F CB 0.001 39.039 39.000 0.064 0.000 0.976 78 F HN 0.566 nan 8.300 nan 0.000 0.510 79 G N -1.165 107.735 108.800 0.166 0.000 2.428 79 G HA2 0.302 4.262 3.960 -0.000 0.000 0.305 79 G HA3 0.302 4.262 3.960 -0.000 0.000 0.305 79 G C -1.307 173.616 174.900 0.038 0.000 1.260 79 G CA -0.743 44.417 45.100 0.101 0.000 0.853 79 G HN -0.051 nan 8.290 nan 0.000 0.480 80 S N -0.507 115.204 115.700 0.018 0.000 2.565 80 S HA 0.328 4.798 4.470 -0.000 0.000 0.276 80 S C 1.032 175.603 174.600 -0.048 0.000 1.326 80 S CA 0.130 58.326 58.200 -0.007 0.000 1.045 80 S CB 0.776 63.977 63.200 0.001 0.000 0.918 80 S HN 0.399 nan 8.310 nan 0.000 0.505 81 D N 3.195 123.562 120.400 -0.056 0.000 2.158 81 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 81 D C 1.868 178.121 176.300 -0.078 0.000 0.995 81 D CA 1.137 55.087 54.000 -0.084 0.000 0.846 81 D CB -0.274 40.490 40.800 -0.060 0.000 0.941 81 D HN 0.690 nan 8.370 nan 0.000 0.456 82 R N 0.514 120.985 120.500 -0.048 0.000 2.133 82 R HA -0.141 4.199 4.340 -0.000 0.000 0.247 82 R C 1.841 178.112 176.300 -0.048 0.000 1.151 82 R CA 1.005 57.082 56.100 -0.038 0.000 0.971 82 R CB -0.304 29.984 30.300 -0.020 0.000 0.866 82 R HN 0.219 nan 8.270 nan 0.000 0.447 83 L N 0.624 121.810 121.223 -0.062 0.000 2.599 83 L HA 0.133 4.473 4.340 -0.000 0.000 0.230 83 L C -0.485 176.323 176.870 -0.105 0.000 1.141 83 L CA -0.227 54.579 54.840 -0.058 0.000 0.877 83 L CB 0.746 42.783 42.059 -0.036 0.000 1.009 83 L HN -0.051 nan 8.230 nan 0.000 0.447 84 V N -0.570 119.248 119.914 -0.160 0.000 2.638 84 V HA 0.372 4.492 4.120 -0.000 0.000 0.306 84 V C -0.254 175.772 176.094 -0.113 0.000 1.052 84 V CA -0.975 61.197 62.300 -0.213 0.000 0.885 84 V CB 2.085 33.607 31.823 -0.502 0.000 0.999 84 V HN 0.054 nan 8.190 nan 0.000 0.424 85 K N 1.916 122.287 120.400 -0.048 0.000 2.281 85 K HA 0.514 4.834 4.320 -0.000 0.000 0.242 85 K C -0.352 176.250 176.600 0.003 0.000 0.971 85 K CA -0.856 55.419 56.287 -0.020 0.000 0.834 85 K CB 2.665 35.163 32.500 -0.003 0.000 1.181 85 K HN 0.792 nan 8.250 nan 0.000 0.435 86 E N 0.017 120.218 120.200 0.002 0.000 2.413 86 E HA 0.003 4.353 4.350 -0.000 0.000 0.263 86 E C 0.597 177.209 176.600 0.020 0.000 1.015 86 E CA 1.280 57.688 56.400 0.014 0.000 0.916 86 E CB 0.293 29.995 29.700 0.003 0.000 0.947 86 E HN 0.776 nan 8.360 nan 0.000 0.440 87 G N 3.707 112.525 108.800 0.030 0.000 2.308 87 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.221 87 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.221 87 G C 0.149 175.078 174.900 0.048 0.000 1.032 87 G CA 0.188 45.304 45.100 0.027 0.000 0.623 87 G HN 0.609 nan 8.290 nan 0.000 0.506 88 E N 0.140 120.380 120.200 0.068 0.000 2.422 88 E HA 0.451 4.801 4.350 -0.000 0.000 0.260 88 E C -0.022 176.645 176.600 0.112 0.000 1.108 88 E CA -0.420 56.035 56.400 0.091 0.000 0.943 88 E CB 1.050 30.819 29.700 0.114 0.000 0.961 88 E HN 0.299 nan 8.360 nan 0.000 0.443 89 L N 2.229 123.510 121.223 0.098 0.000 2.312 89 L HA 0.249 4.589 4.340 -0.000 0.000 0.281 89 L C -1.137 175.771 176.870 0.063 0.000 1.070 89 L CA -0.287 54.597 54.840 0.073 0.000 0.805 89 L CB 1.336 43.423 42.059 0.047 0.000 1.174 89 L HN 0.193 nan 8.230 nan 0.000 0.434 90 V N 4.401 124.311 119.914 -0.007 0.000 2.540 90 V HA 0.519 4.639 4.120 -0.000 0.000 0.302 90 V C -0.391 175.606 176.094 -0.162 0.000 1.035 90 V CA -0.922 61.270 62.300 -0.181 0.000 0.873 90 V CB 1.658 33.319 31.823 -0.270 0.000 0.992 90 V HN 0.689 nan 8.190 nan 0.000 0.428 91 K N 3.297 123.582 120.400 -0.193 0.000 2.203 91 K HA 0.662 4.982 4.320 -0.000 0.000 0.251 91 K C -0.316 176.202 176.600 -0.135 0.000 0.944 91 K CA -0.867 55.348 56.287 -0.120 0.000 0.829 91 K CB 2.165 34.622 32.500 -0.072 0.000 1.125 91 K HN 0.556 nan 8.250 nan 0.000 0.430 92 R N 0.282 120.729 120.500 -0.089 0.000 2.679 92 R HA 0.072 4.412 4.340 -0.000 0.000 0.269 92 R C 0.614 176.883 176.300 -0.051 0.000 1.076 92 R CA -0.045 56.013 56.100 -0.070 0.000 1.160 92 R CB 0.445 30.716 30.300 -0.048 0.000 1.054 92 R HN 0.602 nan 8.270 nan 0.000 0.507 93 T N -0.231 114.302 114.554 -0.036 0.000 3.000 93 T HA 0.146 4.495 4.350 -0.000 0.000 0.248 93 T C 1.155 175.848 174.700 -0.012 0.000 1.034 93 T CA 0.700 62.789 62.100 -0.018 0.000 1.060 93 T CB 0.334 69.200 68.868 -0.004 0.000 0.983 93 T HN 0.928 nan 8.240 nan 0.000 0.482 94 G N 2.108 110.901 108.800 -0.013 0.000 2.176 94 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.253 94 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.253 94 G C -0.134 174.765 174.900 -0.003 0.000 0.979 94 G CA -0.204 44.890 45.100 -0.009 0.000 0.641 94 G HN 0.484 nan 8.290 nan 0.000 0.530 95 N N 0.855 119.557 118.700 0.002 0.000 2.372 95 N HA 0.523 5.263 4.740 -0.000 0.000 0.285 95 N C 0.473 175.993 175.510 0.017 0.000 1.008 95 N CA -0.682 52.373 53.050 0.008 0.000 0.880 95 N CB 1.309 39.800 38.487 0.008 0.000 1.239 95 N HN 0.142 nan 8.380 nan 0.000 0.484 96 I N 1.250 121.828 120.570 0.015 0.000 2.710 96 I HA -0.027 4.142 4.170 -0.000 0.000 0.286 96 I C 0.865 176.997 176.117 0.025 0.000 1.181 96 I CA -0.296 61.017 61.300 0.021 0.000 1.430 96 I CB -0.082 37.925 38.000 0.013 0.000 1.367 96 I HN 0.165 nan 8.210 nan 0.000 0.577 97 V N 6.882 126.821 119.914 0.043 0.000 2.703 97 V HA -0.153 3.967 4.120 -0.000 0.000 0.300 97 V C 0.405 176.498 176.094 -0.000 0.000 1.063 97 V CA 0.763 63.084 62.300 0.035 0.000 1.240 97 V CB -0.941 30.918 31.823 0.060 0.000 0.845 97 V HN 0.963 nan 8.190 nan 0.000 0.476 98 D N 4.311 124.703 120.400 -0.013 0.000 2.652 98 D HA 0.758 5.398 4.640 -0.000 0.000 0.285 98 D C -0.670 175.614 176.300 -0.027 0.000 1.173 98 D CA -0.546 53.446 54.000 -0.012 0.000 0.981 98 D CB 2.246 43.045 40.800 -0.001 0.000 1.440 98 D HN 0.452 nan 8.370 nan 0.000 0.485 99 V N -5.080 114.826 119.914 -0.014 0.000 3.114 99 V HA 0.709 4.829 4.120 -0.000 0.000 0.308 99 V C -2.967 173.118 176.094 -0.015 0.000 1.168 99 V CA -2.296 59.992 62.300 -0.020 0.000 1.015 99 V CB 1.599 33.413 31.823 -0.014 0.000 1.050 99 V HN 0.479 nan 8.190 nan 0.000 0.433 100 P HA 0.449 nan 4.420 nan 0.000 0.271 100 P C -0.526 176.742 177.300 -0.054 0.000 1.216 100 P CA -0.015 63.060 63.100 -0.041 0.000 0.776 100 P CB 1.109 32.778 31.700 -0.052 0.000 0.881 101 V N -0.933 118.930 119.914 -0.085 0.000 3.141 101 V HA 1.034 5.154 4.120 -0.000 0.000 0.312 101 V C -0.035 175.803 176.094 -0.426 0.000 1.157 101 V CA -0.324 61.886 62.300 -0.149 0.000 1.041 101 V CB 1.390 33.217 31.823 0.008 0.000 1.071 101 V HN 0.967 nan 8.190 nan 0.000 0.441 102 G N 1.250 109.535 108.800 -0.860 0.000 2.354 102 G HA2 0.178 4.138 3.960 -0.000 0.000 0.582 102 G HA3 0.178 4.138 3.960 -0.000 0.000 0.582 102 G C -2.589 171.550 174.900 -1.267 0.000 1.316 102 G CA 0.005 44.090 45.100 -1.691 0.000 0.995 102 G HN 0.767 nan 8.290 nan 0.000 0.573 103 P HA 0.052 nan 4.420 nan 0.000 0.229 103 P C 1.796 178.919 177.300 -0.296 0.000 1.160 103 P CA 1.636 64.344 63.100 -0.652 0.000 0.777 103 P CB -0.134 31.250 31.700 -0.525 0.000 0.814 104 G N 0.230 108.840 108.800 -0.316 0.000 2.498 104 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.219 104 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.219 104 G C 1.214 176.046 174.900 -0.113 0.000 1.119 104 G CA 0.298 45.295 45.100 -0.171 0.000 0.766 104 G HN 0.207 nan 8.290 nan 0.000 0.552 105 L N -0.058 121.094 121.223 -0.119 0.000 2.492 105 L HA 0.291 4.631 4.340 -0.000 0.000 0.223 105 L C 0.821 177.698 176.870 0.012 0.000 1.132 105 L CA -0.137 54.675 54.840 -0.047 0.000 0.850 105 L CB -0.428 41.606 42.059 -0.041 0.000 0.966 105 L HN 0.032 nan 8.230 nan 0.000 0.454 106 L N 0.663 121.908 121.223 0.038 0.000 2.514 106 L HA 0.235 4.575 4.340 -0.000 0.000 0.280 106 L C 1.517 178.409 176.870 0.037 0.000 1.223 106 L CA 1.120 56.008 54.840 0.081 0.000 0.864 106 L CB -0.304 41.834 42.059 0.132 0.000 1.118 106 L HN 0.433 nan 8.230 nan 0.000 0.494 107 G N 2.104 110.917 108.800 0.021 0.000 2.184 107 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.264 107 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.264 107 G C 0.534 175.428 174.900 -0.010 0.000 0.975 107 G CA -0.020 45.075 45.100 -0.009 0.000 0.642 107 G HN 0.461 nan 8.290 nan 0.000 0.536 108 R N -0.459 120.041 120.500 -0.000 0.000 2.668 108 R HA 0.720 5.060 4.340 -0.000 0.000 0.279 108 R C -0.240 176.063 176.300 0.006 0.000 0.976 108 R CA -0.799 55.300 56.100 -0.002 0.000 0.978 108 R CB 1.800 32.097 30.300 -0.006 0.000 1.133 108 R HN 0.220 nan 8.270 nan 0.000 0.484 109 V N 2.572 122.489 119.914 0.005 0.000 2.448 109 V HA 0.529 4.649 4.120 -0.000 0.000 0.295 109 V C -0.006 176.094 176.094 0.010 0.000 1.025 109 V CA -0.803 61.505 62.300 0.014 0.000 0.859 109 V CB 1.681 33.512 31.823 0.014 0.000 0.988 109 V HN 0.602 nan 8.190 nan 0.000 0.431 110 V N 0.970 120.891 119.914 0.013 0.000 3.078 110 V HA 0.796 4.916 4.120 -0.000 0.000 0.311 110 V C -0.564 175.531 176.094 0.002 0.000 1.138 110 V CA -0.872 61.430 62.300 0.003 0.000 1.007 110 V CB 2.142 33.962 31.823 -0.004 0.000 1.045 110 V HN 0.809 nan 8.190 nan 0.000 0.432 111 D N 2.589 122.985 120.400 -0.007 0.000 2.447 111 D HA 0.465 5.105 4.640 -0.000 0.000 0.265 111 D C 1.229 177.508 176.300 -0.034 0.000 1.250 111 D CA 0.119 54.111 54.000 -0.013 0.000 1.046 111 D CB 1.275 42.066 40.800 -0.013 0.000 1.095 111 D HN 0.878 nan 8.370 nan 0.000 0.555 112 A N -0.495 122.293 122.820 -0.053 0.000 2.019 112 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 112 A C 2.266 179.773 177.584 -0.128 0.000 1.164 112 A CA 0.871 52.859 52.037 -0.082 0.000 0.644 112 A CB -0.770 18.170 19.000 -0.099 0.000 0.805 112 A HN 0.537 nan 8.150 nan 0.000 0.449 113 L N -1.819 119.313 121.223 -0.151 0.000 2.591 113 L HA 0.229 4.569 4.340 -0.000 0.000 0.228 113 L C 1.748 178.564 176.870 -0.091 0.000 1.133 113 L CA 0.625 55.364 54.840 -0.168 0.000 0.880 113 L CB 0.140 42.078 42.059 -0.202 0.000 1.033 113 L HN 0.566 nan 8.230 nan 0.000 0.450 114 G N -0.884 107.879 108.800 -0.062 0.000 2.213 114 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.226 114 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.226 114 G C 0.175 175.057 174.900 -0.031 0.000 0.992 114 G CA -0.464 44.612 45.100 -0.039 0.000 0.632 114 G HN 0.318 nan 8.290 nan 0.000 0.511 115 N N 3.147 121.828 118.700 -0.031 0.000 2.412 115 N HA 0.264 5.004 4.740 -0.000 0.000 0.258 115 N C -2.355 173.147 175.510 -0.014 0.000 1.236 115 N CA -0.195 52.843 53.050 -0.020 0.000 0.882 115 N CB 0.887 39.365 38.487 -0.015 0.000 1.066 115 N HN 0.296 nan 8.380 nan 0.000 0.465 116 P HA 0.022 nan 4.420 nan 0.000 0.267 116 P C 0.510 177.808 177.300 -0.002 0.000 1.205 116 P CA 0.170 63.265 63.100 -0.008 0.000 0.765 116 P CB 0.418 32.112 31.700 -0.009 0.000 0.828 117 I N -0.335 120.236 120.570 0.001 0.000 4.081 117 I HA 0.226 4.396 4.170 -0.000 0.000 0.333 117 I C 0.273 176.394 176.117 0.005 0.000 1.413 117 I CA -0.186 61.117 61.300 0.005 0.000 1.110 117 I CB 0.005 38.010 38.000 0.009 0.000 1.082 117 I HN 0.028 nan 8.210 nan 0.000 0.402 118 D N 0.866 121.267 120.400 0.002 0.000 2.402 118 D HA 0.165 4.804 4.640 -0.000 0.000 0.216 118 D C 1.507 177.806 176.300 -0.002 0.000 1.128 118 D CA 0.036 54.036 54.000 -0.000 0.000 0.833 118 D CB -0.005 40.793 40.800 -0.002 0.000 0.971 118 D HN 0.341 nan 8.370 nan 0.000 0.503 119 G N 1.232 110.031 108.800 -0.001 0.000 2.379 119 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.297 119 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.297 119 G C 0.710 175.607 174.900 -0.004 0.000 1.004 119 G CA 0.593 45.692 45.100 -0.002 0.000 0.921 119 G HN 0.467 nan 8.290 nan 0.000 0.511 120 K N -0.379 120.017 120.400 -0.006 0.000 2.373 120 K HA 0.452 4.772 4.320 -0.000 0.000 0.202 120 K C 1.297 177.891 176.600 -0.009 0.000 1.025 120 K CA 0.340 56.622 56.287 -0.008 0.000 1.115 120 K CB 0.705 33.200 32.500 -0.009 0.000 0.858 120 K HN 1.291 nan 8.250 nan 0.000 0.525 121 G N 2.136 110.931 108.800 -0.008 0.000 2.422 121 G HA2 -0.141 3.819 3.960 -0.000 0.000 0.607 121 G HA3 -0.141 3.819 3.960 -0.000 0.000 0.607 121 G C -2.992 171.901 174.900 -0.012 0.000 1.270 121 G CA -1.298 43.796 45.100 -0.009 0.000 0.992 121 G HN -0.090 nan 8.290 nan 0.000 0.499 122 P HA 0.483 nan 4.420 nan 0.000 0.271 122 P C 0.176 177.462 177.300 -0.023 0.000 1.218 122 P CA -0.573 62.517 63.100 -0.017 0.000 0.780 122 P CB 0.466 32.157 31.700 -0.016 0.000 0.901 123 I N 2.264 122.817 120.570 -0.028 0.000 2.496 123 I HA 0.021 4.190 4.170 -0.000 0.000 0.285 123 I C 0.676 176.764 176.117 -0.049 0.000 1.080 123 I CA -0.097 61.179 61.300 -0.039 0.000 1.404 123 I CB 0.027 38.002 38.000 -0.041 0.000 1.403 123 I HN 0.415 nan 8.210 nan 0.000 0.539 124 D N 6.314 126.678 120.400 -0.061 0.000 2.393 124 D HA 0.415 5.055 4.640 -0.000 0.000 0.232 124 D C -0.346 175.889 176.300 -0.108 0.000 1.192 124 D CA -0.225 53.731 54.000 -0.072 0.000 0.882 124 D CB 0.557 41.316 40.800 -0.068 0.000 1.038 124 D HN 0.589 nan 8.370 nan 0.000 0.499 125 A N 3.254 126.016 122.820 -0.097 0.000 2.288 125 A HA 0.639 4.959 4.320 -0.000 0.000 0.320 125 A C 1.166 178.680 177.584 -0.116 0.000 1.217 125 A CA -0.175 51.789 52.037 -0.121 0.000 0.840 125 A CB 1.363 20.313 19.000 -0.084 0.000 1.179 125 A HN 0.656 nan 8.150 nan 0.000 0.504 126 A N 2.370 125.085 122.820 -0.175 0.000 1.933 126 A HA 0.420 4.740 4.320 -0.000 0.000 0.218 126 A C 1.301 178.875 177.584 -0.018 0.000 1.175 126 A CA 2.068 54.047 52.037 -0.095 0.000 0.628 126 A CB -0.370 18.558 19.000 -0.120 0.000 0.814 126 A HN 2.205 nan 8.150 nan 0.000 0.444 127 G N -2.084 106.701 108.800 -0.027 0.000 2.348 127 G HA2 0.505 4.465 3.960 -0.000 0.000 0.296 127 G HA3 0.505 4.465 3.960 -0.000 0.000 0.296 127 G C -1.413 173.486 174.900 -0.002 0.000 1.258 127 G CA -0.971 44.131 45.100 0.004 0.000 0.868 127 G HN 0.277 nan 8.290 nan 0.000 0.488 128 R N -0.147 120.360 120.500 0.011 0.000 2.599 128 R HA 0.726 5.066 4.340 -0.000 0.000 0.295 128 R C -0.890 175.424 176.300 0.023 0.000 0.963 128 R CA -0.594 55.511 56.100 0.008 0.000 0.883 128 R CB 2.149 32.449 30.300 0.000 0.000 1.171 128 R HN 0.407 nan 8.270 nan 0.000 0.450 129 S N 1.584 117.300 115.700 0.027 0.000 2.578 129 S HA 0.457 4.927 4.470 -0.000 0.000 0.301 129 S C -0.138 174.476 174.600 0.023 0.000 1.091 129 S CA -0.911 57.309 58.200 0.035 0.000 1.032 129 S CB 1.479 64.713 63.200 0.055 0.000 1.064 129 S HN 0.377 nan 8.310 nan 0.000 0.508 130 R N 0.702 121.215 120.500 0.021 0.000 2.738 130 R HA 0.292 4.631 4.340 -0.000 0.000 0.268 130 R C 1.253 177.565 176.300 0.020 0.000 1.062 130 R CA -0.019 56.089 56.100 0.013 0.000 1.158 130 R CB 0.156 30.461 30.300 0.008 0.000 1.046 130 R HN 0.743 nan 8.270 nan 0.000 0.493 131 A N 2.164 124.987 122.820 0.006 0.000 1.855 131 A HA -0.098 4.221 4.320 -0.000 0.000 0.215 131 A C 0.606 178.194 177.584 0.006 0.000 1.191 131 A CA 1.065 53.115 52.037 0.020 0.000 0.613 131 A CB 0.042 19.032 19.000 -0.016 0.000 0.829 131 A HN 0.522 nan 8.150 nan 0.000 0.442 132 Q N 0.557 120.316 119.800 -0.068 0.000 2.406 132 Q HA 0.459 4.799 4.340 -0.000 0.000 0.242 132 Q C -1.278 174.703 176.000 -0.032 0.000 1.036 132 Q CA 0.070 55.806 55.803 -0.111 0.000 0.904 132 Q CB 1.067 29.698 28.738 -0.178 0.000 1.244 132 Q HN 0.182 nan 8.270 nan 0.000 0.478 133 V N 2.939 122.858 119.914 0.008 0.000 2.448 133 V HA 0.237 4.357 4.120 -0.000 0.000 0.295 133 V C 0.177 176.288 176.094 0.028 0.000 1.025 133 V CA -1.039 61.275 62.300 0.024 0.000 0.859 133 V CB 2.057 33.905 31.823 0.042 0.000 0.988 133 V HN 0.539 nan 8.190 nan 0.000 0.431 134 K N 3.601 124.017 120.400 0.026 0.000 2.489 134 K HA 0.361 4.681 4.320 -0.000 0.000 0.278 134 K C 0.335 176.957 176.600 0.037 0.000 1.000 134 K CA 0.501 56.808 56.287 0.033 0.000 1.012 134 K CB 0.542 33.061 32.500 0.032 0.000 0.903 134 K HN 0.893 nan 8.250 nan 0.000 0.485 135 A N 5.944 128.789 122.820 0.042 0.000 2.386 135 A HA 0.328 4.648 4.320 -0.000 0.000 0.248 135 A C -2.040 175.566 177.584 0.037 0.000 1.082 135 A CA -1.173 50.889 52.037 0.042 0.000 0.789 135 A CB -0.458 18.569 19.000 0.044 0.000 1.025 135 A HN 0.702 nan 8.150 nan 0.000 0.490 136 P HA 0.196 nan 4.420 nan 0.000 0.268 136 P C 0.572 177.889 177.300 0.030 0.000 1.204 136 P CA 0.385 63.502 63.100 0.028 0.000 0.768 136 P CB 0.511 32.228 31.700 0.028 0.000 0.842 137 G N 1.589 110.404 108.800 0.026 0.000 2.489 137 G HA2 0.176 4.135 3.960 -0.000 0.000 0.271 137 G HA3 0.176 4.135 3.960 -0.000 0.000 0.271 137 G C 0.991 175.905 174.900 0.024 0.000 1.427 137 G CA -0.525 44.591 45.100 0.026 0.000 1.057 137 G HN 0.301 nan 8.290 nan 0.000 0.532 138 I N -0.813 119.771 120.570 0.022 0.000 2.361 138 I HA -0.036 4.134 4.170 -0.000 0.000 0.251 138 I C 2.387 178.514 176.117 0.017 0.000 1.133 138 I CA 0.648 61.960 61.300 0.020 0.000 1.413 138 I CB -0.482 37.529 38.000 0.019 0.000 1.073 138 I HN 0.209 nan 8.210 nan 0.000 0.424 139 L N 0.505 121.737 121.223 0.014 0.000 2.130 139 L HA 0.113 4.453 4.340 -0.000 0.000 0.200 139 L C -0.342 176.534 176.870 0.011 0.000 1.075 139 L CA 1.581 56.427 54.840 0.011 0.000 0.768 139 L CB -1.842 40.221 42.059 0.008 0.000 0.933 139 L HN 0.084 nan 8.230 nan 0.000 0.451 140 P HA -0.190 nan 4.420 nan 0.000 0.219 140 P C -0.031 177.280 177.300 0.017 0.000 1.149 140 P CA 1.364 64.472 63.100 0.012 0.000 0.835 140 P CB -0.056 31.653 31.700 0.014 0.000 0.778 141 R N -0.632 119.880 120.500 0.020 0.000 2.549 141 R HA 0.529 4.869 4.340 -0.000 0.000 0.267 141 R C 0.724 177.038 176.300 0.024 0.000 1.045 141 R CA -0.590 55.525 56.100 0.026 0.000 1.115 141 R CB 1.060 31.377 30.300 0.028 0.000 1.121 141 R HN -0.038 nan 8.270 nan 0.000 0.543 142 R N 0.294 120.813 120.500 0.032 0.000 2.771 142 R HA 0.243 4.583 4.340 -0.000 0.000 0.274 142 R C -1.030 175.295 176.300 0.041 0.000 0.987 142 R CA -0.601 55.515 56.100 0.027 0.000 0.908 142 R CB 1.926 32.241 30.300 0.025 0.000 1.213 142 R HN 0.886 nan 8.270 nan 0.000 0.468 143 S N 1.548 117.266 115.700 0.031 0.000 2.562 143 S HA 0.115 4.585 4.470 -0.000 0.000 0.281 143 S C 0.766 175.420 174.600 0.089 0.000 1.333 143 S CA -0.708 57.517 58.200 0.043 0.000 1.052 143 S CB 0.884 64.099 63.200 0.025 0.000 0.884 143 S HN 0.508 nan 8.310 nan 0.000 0.506 144 V N 2.203 122.161 119.914 0.074 0.000 2.529 144 V HA 0.307 4.427 4.120 -0.000 0.000 0.292 144 V C 0.929 177.084 176.094 0.103 0.000 1.028 144 V CA 0.172 62.514 62.300 0.071 0.000 1.074 144 V CB -0.198 31.628 31.823 0.005 0.000 0.958 144 V HN 1.175 nan 8.190 nan 0.000 0.481 145 H N 1.769 120.809 119.070 -0.051 0.000 3.540 145 H HA 0.446 5.001 4.556 -0.000 0.000 0.259 145 H C -0.181 175.101 175.328 -0.077 0.000 1.197 145 H CA -0.316 55.702 56.048 -0.050 0.000 1.136 145 H CB 0.350 30.091 29.762 -0.036 0.000 1.605 145 H HN 0.723 nan 8.280 nan 0.000 0.657 146 E N 4.193 124.086 120.200 -0.512 0.000 2.145 146 E HA 0.315 4.665 4.350 -0.000 0.000 0.270 146 E C -2.675 173.732 176.600 -0.322 0.000 0.906 146 E CA -2.235 53.865 56.400 -0.500 0.000 0.761 146 E CB 2.346 31.673 29.700 -0.621 0.000 1.116 146 E HN 0.219 nan 8.360 nan 0.000 0.408 147 P HA 0.000 nan 4.420 nan 0.000 0.271 147 P C -0.487 176.645 177.300 -0.280 0.000 1.218 147 P CA -0.200 62.764 63.100 -0.227 0.000 0.780 147 P CB 0.860 32.438 31.700 -0.203 0.000 0.901 148 V N 4.263 124.050 119.914 -0.211 0.000 2.275 148 V HA 0.168 4.288 4.120 -0.000 0.000 0.272 148 V C 0.531 176.532 176.094 -0.156 0.000 1.028 148 V CA -0.316 61.859 62.300 -0.208 0.000 0.810 148 V CB 0.392 32.132 31.823 -0.138 0.000 1.043 148 V HN 0.485 nan 8.190 nan 0.000 0.453 149 Q N 1.960 121.640 119.800 -0.199 0.000 2.296 149 Q HA 0.225 4.565 4.340 -0.000 0.000 0.262 149 Q C 1.270 177.283 176.000 0.021 0.000 0.981 149 Q CA 0.202 55.965 55.803 -0.066 0.000 0.905 149 Q CB 1.239 29.966 28.738 -0.017 0.000 1.186 149 Q HN 0.901 nan 8.270 nan 0.000 0.399 150 T N -1.332 113.242 114.554 0.034 0.000 3.044 150 T HA 0.200 4.550 4.350 -0.000 0.000 0.250 150 T C 1.351 176.089 174.700 0.064 0.000 1.081 150 T CA 0.245 62.371 62.100 0.042 0.000 1.040 150 T CB 0.191 69.073 68.868 0.022 0.000 0.962 150 T HN 0.855 nan 8.240 nan 0.000 0.506 151 G N 1.404 110.253 108.800 0.082 0.000 2.175 151 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.265 151 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.265 151 G C -0.075 174.854 174.900 0.049 0.000 0.979 151 G CA 0.406 45.551 45.100 0.075 0.000 0.663 151 G HN 0.631 nan 8.290 nan 0.000 0.533 152 L N -0.083 121.165 121.223 0.041 0.000 2.272 152 L HA 0.398 4.738 4.340 -0.000 0.000 0.289 152 L C 1.678 178.570 176.870 0.037 0.000 1.032 152 L CA -0.873 53.986 54.840 0.031 0.000 0.810 152 L CB 1.312 43.384 42.059 0.021 0.000 1.205 152 L HN 0.057 nan 8.230 nan 0.000 0.422 153 K N 2.315 122.739 120.400 0.039 0.000 2.032 153 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 153 K C 1.968 178.595 176.600 0.044 0.000 1.048 153 K CA 1.696 58.010 56.287 0.046 0.000 0.927 153 K CB -0.103 32.427 32.500 0.051 0.000 0.712 153 K HN 0.800 nan 8.250 nan 0.000 0.441 154 A N 1.070 123.915 122.820 0.040 0.000 1.877 154 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 154 A C 2.430 180.039 177.584 0.041 0.000 1.186 154 A CA 1.638 53.701 52.037 0.042 0.000 0.620 154 A CB -0.741 18.284 19.000 0.041 0.000 0.822 154 A HN 0.083 nan 8.150 nan 0.000 0.443 155 V N 0.479 120.413 119.914 0.035 0.000 2.270 155 V HA -0.206 3.914 4.120 -0.000 0.000 0.245 155 V C 2.077 178.188 176.094 0.028 0.000 1.043 155 V CA 2.277 64.596 62.300 0.030 0.000 1.014 155 V CB -0.792 31.045 31.823 0.024 0.000 0.645 155 V HN 0.475 nan 8.190 nan 0.000 0.447 156 D N 0.038 120.455 120.400 0.029 0.000 2.224 156 D HA 0.003 4.643 4.640 -0.000 0.000 0.205 156 D C 2.013 178.331 176.300 0.029 0.000 0.965 156 D CA 1.383 55.398 54.000 0.025 0.000 0.852 156 D CB -0.006 40.812 40.800 0.030 0.000 0.947 156 D HN 0.454 nan 8.370 nan 0.000 0.494 157 A N -0.384 122.458 122.820 0.038 0.000 1.997 157 A HA 0.140 4.460 4.320 -0.000 0.000 0.212 157 A C 2.051 179.660 177.584 0.042 0.000 1.178 157 A CA 0.378 52.440 52.037 0.042 0.000 0.698 157 A CB -0.018 19.011 19.000 0.049 0.000 0.842 157 A HN 0.171 nan 8.150 nan 0.000 0.458 158 L N -0.865 120.383 121.223 0.043 0.000 2.609 158 L HA 0.147 4.487 4.340 -0.000 0.000 0.230 158 L C 0.333 177.227 176.870 0.041 0.000 1.064 158 L CA 0.373 55.241 54.840 0.046 0.000 0.873 158 L CB 0.908 42.999 42.059 0.054 0.000 1.139 158 L HN 0.225 nan 8.230 nan 0.000 0.490 159 V N -2.838 117.097 119.914 0.035 0.000 2.656 159 V HA 0.352 4.472 4.120 -0.000 0.000 0.312 159 V C -2.676 173.429 176.094 0.019 0.000 1.181 159 V CA -1.560 60.759 62.300 0.030 0.000 1.250 159 V CB -0.195 31.651 31.823 0.037 0.000 1.468 159 V HN -0.071 nan 8.190 nan 0.000 0.651 160 P HA 0.221 nan 4.420 nan 0.000 0.262 160 P C -0.245 177.049 177.300 -0.010 0.000 1.182 160 P CA 0.683 63.783 63.100 -0.001 0.000 0.761 160 P CB 1.256 32.955 31.700 -0.002 0.000 0.795 161 I N 2.181 122.736 120.570 -0.025 0.000 2.412 161 I HA 0.460 4.630 4.170 -0.000 0.000 0.296 161 I C 1.166 177.244 176.117 -0.064 0.000 0.987 161 I CA -0.512 60.767 61.300 -0.034 0.000 1.180 161 I CB 1.902 39.884 38.000 -0.030 0.000 1.340 161 I HN 0.318 nan 8.210 nan 0.000 0.455 162 G N 4.613 113.376 108.800 -0.062 0.000 2.461 162 G HA2 0.503 4.463 3.960 -0.000 0.000 0.329 162 G HA3 0.503 4.463 3.960 -0.000 0.000 0.329 162 G C -0.463 174.371 174.900 -0.109 0.000 1.170 162 G CA -0.848 44.195 45.100 -0.095 0.000 0.935 162 G HN 0.531 nan 8.290 nan 0.000 0.492 163 R N 0.165 120.563 120.500 -0.171 0.000 2.351 163 R HA 0.396 4.736 4.340 -0.000 0.000 0.318 163 R C 1.075 177.323 176.300 -0.085 0.000 1.055 163 R CA 0.895 56.892 56.100 -0.171 0.000 0.968 163 R CB 0.702 30.799 30.300 -0.338 0.000 0.974 163 R HN 1.078 nan 8.270 nan 0.000 0.439 164 G N 1.816 110.597 108.800 -0.032 0.000 2.201 164 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.212 164 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.212 164 G C 0.233 175.141 174.900 0.014 0.000 0.994 164 G CA -0.049 45.056 45.100 0.010 0.000 0.644 164 G HN 0.591 nan 8.290 nan 0.000 0.508 165 Q N 0.038 119.837 119.800 -0.001 0.000 2.471 165 Q HA 0.649 4.989 4.340 -0.000 0.000 0.223 165 Q C -0.129 175.881 176.000 0.016 0.000 1.045 165 Q CA -0.231 55.576 55.803 0.006 0.000 0.956 165 Q CB 0.380 29.115 28.738 -0.005 0.000 1.249 165 Q HN 0.277 nan 8.270 nan 0.000 0.549 166 R N 1.652 122.164 120.500 0.020 0.000 2.409 166 R HA 0.300 4.640 4.340 -0.000 0.000 0.313 166 R C -1.560 174.751 176.300 0.020 0.000 0.953 166 R CA -0.496 55.619 56.100 0.026 0.000 0.849 166 R CB 1.700 32.016 30.300 0.026 0.000 1.171 166 R HN 0.466 nan 8.270 nan 0.000 0.458 167 E N 2.777 122.988 120.200 0.019 0.000 2.185 167 E HA 0.285 4.635 4.350 -0.000 0.000 0.261 167 E C -1.409 175.203 176.600 0.021 0.000 0.879 167 E CA -0.915 55.496 56.400 0.019 0.000 0.756 167 E CB 0.972 30.680 29.700 0.015 0.000 1.152 167 E HN 0.365 nan 8.360 nan 0.000 0.416 168 L N 5.467 126.702 121.223 0.021 0.000 2.380 168 L HA 0.457 4.797 4.340 -0.000 0.000 0.273 168 L C -0.911 175.978 176.870 0.031 0.000 1.138 168 L CA 0.183 55.034 54.840 0.017 0.000 0.832 168 L CB 0.492 42.558 42.059 0.011 0.000 1.124 168 L HN 0.642 nan 8.230 nan 0.000 0.454 169 I N 7.028 127.612 120.570 0.023 0.000 2.330 169 I HA 0.421 4.591 4.170 -0.000 0.000 0.289 169 I C -0.376 175.755 176.117 0.022 0.000 1.001 169 I CA -0.195 61.119 61.300 0.023 0.000 1.193 169 I CB 1.245 39.253 38.000 0.012 0.000 1.345 169 I HN 0.577 nan 8.210 nan 0.000 0.461 170 I N 5.281 125.881 120.570 0.049 0.000 2.686 170 I HA 0.901 5.071 4.170 -0.000 0.000 0.295 170 I C -0.419 175.711 176.117 0.023 0.000 1.114 170 I CA -0.028 61.324 61.300 0.086 0.000 1.038 170 I CB 2.139 40.247 38.000 0.180 0.000 1.238 170 I HN 0.697 nan 8.210 nan 0.000 0.420 171 G N 4.724 113.515 108.800 -0.015 0.000 2.328 171 G HA2 0.150 4.109 3.960 -0.000 0.000 0.299 171 G HA3 0.150 4.109 3.960 -0.000 0.000 0.299 171 G C -1.968 172.873 174.900 -0.099 0.000 1.435 171 G CA -0.871 44.103 45.100 -0.209 0.000 0.865 171 G HN 0.529 nan 8.290 nan 0.000 0.601 172 D N 0.062 120.394 120.400 -0.114 0.000 2.362 172 D HA 0.222 4.862 4.640 -0.000 0.000 0.238 172 D C 1.277 177.509 176.300 -0.114 0.000 1.212 172 D CA 0.007 53.963 54.000 -0.073 0.000 0.902 172 D CB 0.509 41.270 40.800 -0.065 0.000 1.180 172 D HN 0.600 nan 8.370 nan 0.000 0.445 173 R N 1.408 121.863 120.500 -0.075 0.000 2.584 173 R HA -0.190 4.150 4.340 -0.000 0.000 0.315 173 R C -0.227 175.979 176.300 -0.157 0.000 0.863 173 R CA 0.733 56.782 56.100 -0.084 0.000 1.139 173 R CB -0.278 29.996 30.300 -0.043 0.000 0.880 173 R HN 0.380 nan 8.270 nan 0.000 0.413 174 Q N 1.508 121.188 119.800 -0.200 0.000 2.451 174 Q HA -0.127 4.213 4.340 -0.000 0.000 0.284 174 Q C -0.108 175.445 176.000 -0.746 0.000 1.326 174 Q CA 1.342 56.957 55.803 -0.313 0.000 0.762 174 Q CB -1.829 26.794 28.738 -0.192 0.000 1.160 174 Q HN 0.953 nan 8.270 nan 0.000 0.419 175 T N -4.764 109.373 114.554 -0.694 0.000 3.145 175 T HA 0.486 4.835 4.350 -0.000 0.000 0.281 175 T C 1.034 175.429 174.700 -0.508 0.000 1.003 175 T CA 0.732 62.241 62.100 -0.985 0.000 0.901 175 T CB 1.144 69.704 68.868 -0.513 0.000 1.112 175 T HN 0.929 nan 8.240 nan 0.000 0.535 176 G N 1.887 110.517 108.800 -0.284 0.000 2.134 176 G HA2 -0.253 3.706 3.960 -0.000 0.000 0.209 176 G HA3 -0.253 3.706 3.960 -0.000 0.000 0.209 176 G C 0.758 175.642 174.900 -0.026 0.000 0.993 176 G CA 0.227 45.329 45.100 0.004 0.000 0.669 176 G HN 0.526 nan 8.290 nan 0.000 0.519 177 K N -0.282 120.077 120.400 -0.067 0.000 2.009 177 K HA -0.078 4.242 4.320 -0.000 0.000 0.210 177 K C 2.589 179.192 176.600 0.005 0.000 1.049 177 K CA 1.964 58.230 56.287 -0.034 0.000 0.929 177 K CB -0.363 32.112 32.500 -0.041 0.000 0.714 177 K HN 0.329 nan 8.250 nan 0.000 0.440 178 T N 1.154 115.719 114.554 0.018 0.000 2.708 178 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 178 T C 2.019 176.732 174.700 0.022 0.000 1.037 178 T CA 1.306 63.440 62.100 0.058 0.000 1.146 178 T CB -0.397 68.521 68.868 0.084 0.000 0.865 178 T HN 0.357 nan 8.240 nan 0.000 0.435 179 A N 1.049 123.863 122.820 -0.009 0.000 1.985 179 A HA -0.178 4.142 4.320 -0.000 0.000 0.223 179 A C 2.564 180.119 177.584 -0.048 0.000 1.189 179 A CA 2.010 54.012 52.037 -0.058 0.000 0.658 179 A CB -1.275 17.691 19.000 -0.057 0.000 0.820 179 A HN 0.382 nan 8.150 nan 0.000 0.464 180 V N -0.645 119.261 119.914 -0.013 0.000 2.270 180 V HA -0.202 3.918 4.120 -0.000 0.000 0.245 180 V C 3.071 179.171 176.094 0.009 0.000 1.043 180 V CA 2.011 64.309 62.300 -0.003 0.000 1.014 180 V CB -1.279 30.548 31.823 0.006 0.000 0.645 180 V HN 0.664 nan 8.190 nan 0.000 0.447 181 A N -0.254 122.584 122.820 0.030 0.000 1.908 181 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 181 A C 2.162 179.771 177.584 0.042 0.000 1.181 181 A CA 2.252 54.322 52.037 0.054 0.000 0.627 181 A CB -0.613 18.453 19.000 0.110 0.000 0.818 181 A HN 0.447 nan 8.150 nan 0.000 0.445 182 L N -0.055 121.176 121.223 0.013 0.000 2.027 182 L HA -0.110 4.230 4.340 -0.000 0.000 0.206 182 L C 1.683 178.542 176.870 -0.019 0.000 1.074 182 L CA 2.524 57.346 54.840 -0.030 0.000 0.745 182 L CB -0.834 41.191 42.059 -0.057 0.000 0.898 182 L HN 0.308 nan 8.230 nan 0.000 0.433 183 D N -0.899 119.483 120.400 -0.030 0.000 2.123 183 D HA -0.173 4.466 4.640 -0.000 0.000 0.196 183 D C 2.061 178.373 176.300 0.021 0.000 0.992 183 D CA 1.778 55.767 54.000 -0.018 0.000 0.833 183 D CB -0.176 40.598 40.800 -0.044 0.000 0.954 183 D HN 0.391 nan 8.370 nan 0.000 0.455 184 T N 0.773 115.342 114.554 0.024 0.000 2.684 184 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 184 T C 2.201 176.939 174.700 0.063 0.000 1.036 184 T CA 0.761 62.885 62.100 0.040 0.000 1.148 184 T CB -0.256 68.627 68.868 0.026 0.000 0.863 184 T HN 0.189 nan 8.240 nan 0.000 0.436 185 I N 0.727 121.337 120.570 0.067 0.000 2.163 185 I HA -0.154 4.016 4.170 -0.000 0.000 0.243 185 I C 2.343 178.571 176.117 0.185 0.000 1.085 185 I CA 1.290 62.664 61.300 0.124 0.000 1.347 185 I CB -0.461 37.594 38.000 0.092 0.000 1.044 185 I HN 0.210 nan 8.210 nan 0.000 0.408 186 L N 0.294 121.579 121.223 0.103 0.000 2.046 186 L HA -0.223 4.117 4.340 -0.000 0.000 0.208 186 L C 2.173 179.121 176.870 0.131 0.000 1.077 186 L CA 1.475 56.376 54.840 0.101 0.000 0.747 186 L CB -0.763 41.284 42.059 -0.019 0.000 0.896 186 L HN 0.312 nan 8.230 nan 0.000 0.432 187 N N -0.366 118.399 118.700 0.109 0.000 2.519 187 N HA -0.176 4.564 4.740 -0.000 0.000 0.186 187 N C 1.690 177.302 175.510 0.170 0.000 1.062 187 N CA 0.632 53.753 53.050 0.120 0.000 0.910 187 N CB 0.156 38.725 38.487 0.137 0.000 0.958 187 N HN 0.242 nan 8.380 nan 0.000 0.445 188 Q N 0.268 120.154 119.800 0.144 0.000 2.472 188 Q HA -0.061 4.279 4.340 -0.000 0.000 0.208 188 Q C 1.417 177.373 176.000 -0.073 0.000 0.958 188 Q CA 0.440 56.301 55.803 0.098 0.000 0.932 188 Q CB -0.116 28.520 28.738 -0.171 0.000 1.007 188 Q HN 0.691 nan 8.270 nan 0.000 0.508 189 K N 0.521 120.914 120.400 -0.012 0.000 2.218 189 K HA -0.127 4.193 4.320 -0.000 0.000 0.205 189 K C 1.629 178.122 176.600 -0.179 0.000 1.046 189 K CA 0.863 57.145 56.287 -0.009 0.000 0.933 189 K CB -0.208 32.339 32.500 0.077 0.000 0.728 189 K HN 0.098 nan 8.250 nan 0.000 0.454 190 R N -0.031 120.228 120.500 -0.402 0.000 2.120 190 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 190 R C 1.751 177.560 176.300 -0.819 0.000 1.123 190 R CA 1.632 57.237 56.100 -0.825 0.000 0.975 190 R CB -0.118 29.212 30.300 -1.617 0.000 0.866 190 R HN 0.506 nan 8.270 nan 0.000 0.446 191 W N -0.590 120.634 121.300 -0.126 0.000 2.901 191 W HA 0.215 4.874 4.660 -0.000 0.000 0.281 191 W C 1.105 177.521 176.519 -0.171 0.000 1.167 191 W CA -0.596 56.672 57.345 -0.130 0.000 1.506 191 W CB -0.248 29.131 29.460 -0.134 0.000 0.985 191 W HN 0.038 nan 8.180 nan 0.000 0.590 192 N N 1.185 119.847 118.700 -0.064 0.000 2.512 192 N HA -0.097 4.643 4.740 -0.000 0.000 0.183 192 N C 1.114 176.589 175.510 -0.058 0.000 1.073 192 N CA 0.768 53.699 53.050 -0.199 0.000 0.911 192 N CB -0.346 37.795 38.487 -0.575 0.000 0.964 192 N HN 0.118 nan 8.380 nan 0.000 0.447 193 N N 0.227 118.906 118.700 -0.035 0.000 2.376 193 N HA -0.001 4.739 4.740 -0.000 0.000 0.177 193 N C 1.151 176.662 175.510 0.001 0.000 1.024 193 N CA 0.247 53.294 53.050 -0.005 0.000 0.893 193 N CB -0.140 38.329 38.487 -0.030 0.000 0.980 193 N HN 0.137 nan 8.380 nan 0.000 0.439 194 G N -0.350 108.450 108.800 -0.000 0.000 2.631 194 G HA2 0.180 4.140 3.960 -0.000 0.000 0.271 194 G HA3 0.180 4.140 3.960 -0.000 0.000 0.271 194 G C 0.748 175.673 174.900 0.042 0.000 1.302 194 G CA -0.224 44.889 45.100 0.022 0.000 1.002 194 G HN 0.116 nan 8.290 nan 0.000 0.519 195 S N -0.909 114.819 115.700 0.047 0.000 2.427 195 S HA 0.012 4.482 4.470 -0.000 0.000 0.224 195 S C 0.969 175.610 174.600 0.067 0.000 1.047 195 S CA 0.107 58.340 58.200 0.055 0.000 0.953 195 S CB -0.059 63.168 63.200 0.044 0.000 0.824 195 S HN 0.654 nan 8.310 nan 0.000 0.502 196 D N 2.790 123.231 120.400 0.068 0.000 2.419 196 D HA -0.035 4.605 4.640 -0.000 0.000 0.281 196 D C 0.940 177.290 176.300 0.083 0.000 1.398 196 D CA 0.183 54.228 54.000 0.074 0.000 1.047 196 D CB 0.144 40.992 40.800 0.079 0.000 1.115 196 D HN 0.134 nan 8.370 nan 0.000 0.540 197 E N 1.354 121.608 120.200 0.089 0.000 2.209 197 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 197 E C 1.836 178.495 176.600 0.099 0.000 0.993 197 E CA 0.836 57.304 56.400 0.114 0.000 0.819 197 E CB -0.061 29.712 29.700 0.123 0.000 0.745 197 E HN 0.589 nan 8.360 nan 0.000 0.477 198 S N 0.140 115.893 115.700 0.088 0.000 2.453 198 S HA -0.009 4.461 4.470 -0.000 0.000 0.231 198 S C 1.638 176.327 174.600 0.149 0.000 1.005 198 S CA 0.504 58.779 58.200 0.125 0.000 0.949 198 S CB 0.153 63.416 63.200 0.107 0.000 0.774 198 S HN -0.032 nan 8.310 nan 0.000 0.510 199 K N 1.234 121.674 120.400 0.066 0.000 2.393 199 K HA 0.279 4.599 4.320 -0.000 0.000 0.193 199 K C 0.115 176.684 176.600 -0.051 0.000 1.026 199 K CA 0.178 56.439 56.287 -0.043 0.000 1.064 199 K CB 0.130 32.614 32.500 -0.026 0.000 0.833 199 K HN 0.488 nan 8.250 nan 0.000 0.521 200 K N 1.162 121.569 120.400 0.012 0.000 2.298 200 K HA 0.143 4.463 4.320 -0.000 0.000 0.280 200 K C -0.384 176.120 176.600 -0.159 0.000 1.032 200 K CA -0.402 55.807 56.287 -0.130 0.000 0.958 200 K CB 0.745 33.117 32.500 -0.212 0.000 0.978 200 K HN -0.168 nan 8.250 nan 0.000 0.472 201 L N 4.302 125.325 121.223 -0.333 0.000 2.377 201 L HA 0.301 4.641 4.340 -0.000 0.000 0.270 201 L C -1.497 175.149 176.870 -0.373 0.000 0.991 201 L CA -0.466 54.236 54.840 -0.230 0.000 0.851 201 L CB 0.543 42.492 42.059 -0.182 0.000 1.218 201 L HN 0.428 nan 8.230 nan 0.000 0.420 202 Y N 2.817 123.003 120.300 -0.190 0.000 2.301 202 Y HA 0.513 5.063 4.550 -0.000 0.000 0.328 202 Y C 0.385 176.174 175.900 -0.184 0.000 1.242 202 Y CA -0.242 57.711 58.100 -0.244 0.000 1.323 202 Y CB 1.025 39.087 38.460 -0.663 0.000 1.266 202 Y HN 0.474 nan 8.280 nan 0.000 0.527 203 C N 2.280 121.643 119.300 0.106 0.000 2.396 203 C HA 0.653 5.113 4.460 -0.000 0.000 0.321 203 C C -0.518 174.501 174.990 0.049 0.000 1.233 203 C CA -1.223 57.842 59.018 0.078 0.000 1.440 203 C CB 0.345 28.180 27.740 0.159 0.000 2.110 203 C HN 0.531 nan 8.230 nan 0.000 0.473 204 V N 3.375 123.296 119.914 0.012 0.000 2.370 204 V HA 0.334 4.454 4.120 -0.000 0.000 0.283 204 V C -0.810 175.296 176.094 0.019 0.000 1.023 204 V CA -0.531 61.779 62.300 0.016 0.000 0.857 204 V CB 1.098 32.911 31.823 -0.016 0.000 0.985 204 V HN 0.800 nan 8.190 nan 0.000 0.443 205 Y N 4.801 125.061 120.300 -0.067 0.000 2.331 205 Y HA 0.632 5.181 4.550 -0.000 0.000 0.338 205 Y C -0.299 175.564 175.900 -0.061 0.000 0.976 205 Y CA -0.727 57.329 58.100 -0.073 0.000 1.137 205 Y CB 1.729 40.164 38.460 -0.041 0.000 1.172 205 Y HN 0.418 nan 8.280 nan 0.000 0.478 206 V N 6.537 126.161 119.914 -0.483 0.000 2.294 206 V HA 0.563 4.683 4.120 -0.000 0.000 0.272 206 V C 0.101 175.919 176.094 -0.460 0.000 1.027 206 V CA -0.808 61.297 62.300 -0.324 0.000 0.823 206 V CB 0.490 32.205 31.823 -0.180 0.000 1.030 206 V HN 0.943 nan 8.190 nan 0.000 0.457 207 A N 5.199 127.837 122.820 -0.302 0.000 2.347 207 A HA 0.672 4.992 4.320 -0.000 0.000 0.287 207 A C -0.259 177.289 177.584 -0.060 0.000 1.199 207 A CA -0.240 51.696 52.037 -0.168 0.000 0.851 207 A CB 0.388 19.425 19.000 0.061 0.000 1.118 207 A HN 0.694 nan 8.150 nan 0.000 0.525 208 V N 2.889 122.774 119.914 -0.047 0.000 2.376 208 V HA 0.625 4.744 4.120 -0.000 0.000 0.287 208 V C 1.171 177.283 176.094 0.031 0.000 1.015 208 V CA 0.487 62.790 62.300 0.004 0.000 0.834 208 V CB 0.519 32.348 31.823 0.009 0.000 1.001 208 V HN 1.769 nan 8.190 nan 0.000 0.428 209 G N 3.904 112.733 108.800 0.048 0.000 2.234 209 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 209 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 209 G C 0.305 175.236 174.900 0.051 0.000 0.987 209 G CA 0.420 45.554 45.100 0.057 0.000 0.625 209 G HN 0.642 nan 8.290 nan 0.000 0.532 210 Q N 0.343 120.172 119.800 0.049 0.000 2.651 210 Q HA 0.460 4.799 4.340 -0.000 0.000 0.224 210 Q C 0.367 176.400 176.000 0.054 0.000 1.094 210 Q CA 0.173 56.010 55.803 0.056 0.000 1.018 210 Q CB 0.475 29.257 28.738 0.073 0.000 1.292 210 Q HN 0.391 nan 8.270 nan 0.000 0.588 211 K N 0.690 121.122 120.400 0.052 0.000 2.270 211 K HA 0.054 4.374 4.320 -0.000 0.000 0.276 211 K C 0.925 177.555 176.600 0.049 0.000 1.023 211 K CA -0.097 56.218 56.287 0.046 0.000 0.955 211 K CB 0.696 33.220 32.500 0.041 0.000 0.975 211 K HN 0.433 nan 8.250 nan 0.000 0.471 212 R N 1.297 121.822 120.500 0.043 0.000 2.091 212 R HA -0.187 4.153 4.340 -0.000 0.000 0.238 212 R C 1.869 178.191 176.300 0.037 0.000 1.136 212 R CA 2.277 58.401 56.100 0.041 0.000 0.959 212 R CB -0.138 30.182 30.300 0.034 0.000 0.856 212 R HN 0.831 nan 8.270 nan 0.000 0.437 213 S N -0.752 114.967 115.700 0.033 0.000 2.383 213 S HA -0.152 4.318 4.470 -0.000 0.000 0.229 213 S C 1.904 176.523 174.600 0.032 0.000 1.030 213 S CA 1.808 60.025 58.200 0.028 0.000 1.002 213 S CB -0.671 62.544 63.200 0.026 0.000 0.829 213 S HN 0.330 nan 8.310 nan 0.000 0.467 214 T N 2.321 116.899 114.554 0.041 0.000 2.746 214 T HA -0.016 4.334 4.350 -0.000 0.000 0.267 214 T C 1.933 176.662 174.700 0.049 0.000 1.039 214 T CA 1.435 63.563 62.100 0.047 0.000 1.142 214 T CB -0.553 68.350 68.868 0.060 0.000 0.866 214 T HN 0.335 nan 8.240 nan 0.000 0.444 215 V N 1.780 121.733 119.914 0.063 0.000 2.358 215 V HA -0.097 4.023 4.120 -0.000 0.000 0.246 215 V C 2.938 179.049 176.094 0.029 0.000 1.047 215 V CA 1.465 63.809 62.300 0.072 0.000 1.035 215 V CB -1.327 30.555 31.823 0.098 0.000 0.658 215 V HN 0.502 nan 8.190 nan 0.000 0.452 216 A N -0.360 122.475 122.820 0.025 0.000 1.948 216 A HA -0.316 4.004 4.320 -0.000 0.000 0.220 216 A C 2.187 179.769 177.584 -0.002 0.000 1.177 216 A CA 2.192 54.235 52.037 0.010 0.000 0.636 216 A CB -0.482 18.526 19.000 0.012 0.000 0.815 216 A HN 0.658 nan 8.150 nan 0.000 0.449 217 Q N -1.208 118.593 119.800 0.002 0.000 2.269 217 Q HA 0.115 4.454 4.340 -0.000 0.000 0.201 217 Q C 2.052 178.038 176.000 -0.022 0.000 0.946 217 Q CA 0.934 56.734 55.803 -0.005 0.000 0.877 217 Q CB -0.140 28.603 28.738 0.008 0.000 0.963 217 Q HN 0.733 nan 8.270 nan 0.000 0.472 218 L N -0.196 121.005 121.223 -0.037 0.000 2.095 218 L HA -0.099 4.241 4.340 -0.000 0.000 0.204 218 L C 1.992 178.793 176.870 -0.115 0.000 1.080 218 L CA 0.756 55.539 54.840 -0.094 0.000 0.759 218 L CB -0.020 41.941 42.059 -0.164 0.000 0.914 218 L HN -0.025 nan 8.230 nan 0.000 0.439 219 V N 0.039 119.902 119.914 -0.085 0.000 2.490 219 V HA -0.287 3.832 4.120 -0.000 0.000 0.250 219 V C 2.499 178.556 176.094 -0.061 0.000 1.061 219 V CA 1.909 64.165 62.300 -0.074 0.000 1.064 219 V CB -0.598 31.201 31.823 -0.040 0.000 0.670 219 V HN 0.571 nan 8.190 nan 0.000 0.461 220 Q N 0.355 120.127 119.800 -0.046 0.000 2.079 220 Q HA -0.157 4.182 4.340 -0.000 0.000 0.200 220 Q C 2.205 178.182 176.000 -0.038 0.000 0.974 220 Q CA 2.425 58.205 55.803 -0.038 0.000 0.840 220 Q CB -0.585 28.135 28.738 -0.030 0.000 0.898 220 Q HN 0.625 nan 8.270 nan 0.000 0.430 221 T N 1.246 115.775 114.554 -0.042 0.000 2.635 221 T HA -0.180 4.170 4.350 -0.000 0.000 0.267 221 T C 1.715 176.420 174.700 0.009 0.000 1.040 221 T CA 1.617 63.701 62.100 -0.026 0.000 1.156 221 T CB -0.423 68.403 68.868 -0.071 0.000 0.863 221 T HN 0.241 nan 8.240 nan 0.000 0.430 222 L N 0.497 121.683 121.223 -0.061 0.000 2.012 222 L HA -0.160 4.180 4.340 -0.000 0.000 0.210 222 L C 2.845 179.679 176.870 -0.060 0.000 1.073 222 L CA 1.497 56.287 54.840 -0.084 0.000 0.748 222 L CB -0.528 41.448 42.059 -0.138 0.000 0.891 222 L HN 0.233 nan 8.230 nan 0.000 0.431 223 E N 0.139 120.304 120.200 -0.057 0.000 2.110 223 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 223 E C 2.202 178.779 176.600 -0.038 0.000 0.988 223 E CA 1.285 57.653 56.400 -0.053 0.000 0.804 223 E CB -0.004 29.666 29.700 -0.049 0.000 0.745 223 E HN 0.406 nan 8.360 nan 0.000 0.458 224 Q N -1.155 118.633 119.800 -0.020 0.000 2.230 224 Q HA -0.090 4.249 4.340 -0.000 0.000 0.202 224 Q C 1.377 177.312 176.000 -0.108 0.000 0.963 224 Q CA 0.944 56.713 55.803 -0.058 0.000 0.866 224 Q CB 0.057 28.758 28.738 -0.061 0.000 0.931 224 Q HN 0.526 nan 8.270 nan 0.000 0.452 225 H N -1.037 117.978 119.070 -0.092 0.000 2.586 225 H HA 0.017 4.573 4.556 -0.000 0.000 0.273 225 H C -0.056 175.236 175.328 -0.060 0.000 0.997 225 H CA 0.401 56.408 56.048 -0.069 0.000 1.177 225 H CB 0.778 30.508 29.762 -0.053 0.000 1.471 225 H HN 0.216 nan 8.280 nan 0.000 0.538 226 D N -0.021 120.386 120.400 0.011 0.000 3.017 226 D HA -0.167 4.472 4.640 -0.000 0.000 0.220 226 D C 1.108 177.344 176.300 -0.106 0.000 1.141 226 D CA 0.656 54.633 54.000 -0.038 0.000 0.848 226 D CB -1.159 39.632 40.800 -0.015 0.000 1.102 226 D HN 0.444 nan 8.370 nan 0.000 0.427 227 A N -0.804 121.896 122.820 -0.200 0.000 2.132 227 A HA 0.134 4.454 4.320 -0.000 0.000 0.213 227 A C 1.996 179.085 177.584 -0.825 0.000 1.154 227 A CA 1.187 52.849 52.037 -0.625 0.000 0.753 227 A CB -0.215 18.572 19.000 -0.355 0.000 0.826 227 A HN 0.328 nan 8.150 nan 0.000 0.469 228 M N 1.304 120.674 119.600 -0.384 0.000 2.202 228 M HA -0.186 4.294 4.480 -0.000 0.000 0.262 228 M C 2.034 178.201 176.300 -0.222 0.000 1.063 228 M CA 2.062 57.207 55.300 -0.259 0.000 1.097 228 M CB -0.488 32.028 32.600 -0.140 0.000 1.382 228 M HN 0.558 nan 8.290 nan 0.000 0.413 229 K N -0.601 119.678 120.400 -0.202 0.000 2.152 229 K HA -0.215 4.104 4.320 -0.000 0.000 0.206 229 K C 1.244 177.871 176.600 0.045 0.000 1.048 229 K CA 2.069 58.323 56.287 -0.055 0.000 0.933 229 K CB -0.995 31.509 32.500 0.007 0.000 0.721 229 K HN 0.619 nan 8.250 nan 0.000 0.447 230 Y N 0.358 120.698 120.300 0.066 0.000 2.467 230 Y HA 0.404 4.954 4.550 -0.000 0.000 0.250 230 Y C -0.067 175.890 175.900 0.095 0.000 1.155 230 Y CA -1.065 57.102 58.100 0.112 0.000 1.249 230 Y CB 0.056 38.506 38.460 -0.016 0.000 1.146 230 Y HN -0.035 nan 8.280 nan 0.000 0.524 231 S N 1.060 116.740 115.700 -0.034 0.000 2.681 231 S HA 0.756 5.226 4.470 -0.000 0.000 0.299 231 S C -0.701 173.917 174.600 0.029 0.000 1.113 231 S CA -0.750 57.462 58.200 0.021 0.000 1.013 231 S CB 2.179 65.341 63.200 -0.063 0.000 1.076 231 S HN 0.221 nan 8.310 nan 0.000 0.534 232 I N 1.578 122.179 120.570 0.052 0.000 2.499 232 I HA 0.363 4.533 4.170 -0.000 0.000 0.288 232 I C -1.226 174.930 176.117 0.066 0.000 1.048 232 I CA -0.786 60.547 61.300 0.056 0.000 1.062 232 I CB 1.635 39.684 38.000 0.081 0.000 1.238 232 I HN 0.397 nan 8.210 nan 0.000 0.426 233 I N 6.817 127.423 120.570 0.060 0.000 2.354 233 I HA 0.395 4.565 4.170 -0.000 0.000 0.292 233 I C -0.099 176.056 176.117 0.062 0.000 0.989 233 I CA -0.797 60.559 61.300 0.093 0.000 1.188 233 I CB 1.617 39.672 38.000 0.091 0.000 1.342 233 I HN 0.129 nan 8.210 nan 0.000 0.457 234 V N 5.565 125.511 119.914 0.053 0.000 2.409 234 V HA 0.769 4.889 4.120 -0.000 0.000 0.291 234 V C 0.232 176.337 176.094 0.017 0.000 1.020 234 V CA -0.633 61.680 62.300 0.021 0.000 0.848 234 V CB 1.571 33.396 31.823 0.003 0.000 0.990 234 V HN 0.875 nan 8.190 nan 0.000 0.430 235 A N 3.960 126.792 122.820 0.021 0.000 2.355 235 A HA 0.954 5.274 4.320 -0.000 0.000 0.317 235 A C -0.193 177.401 177.584 0.017 0.000 1.094 235 A CA -0.369 51.684 52.037 0.026 0.000 0.764 235 A CB 1.678 20.705 19.000 0.045 0.000 1.230 235 A HN 1.451 nan 8.150 nan 0.000 0.448 236 A N 2.442 125.275 122.820 0.020 0.000 2.605 236 A HA 0.663 4.983 4.320 -0.000 0.000 0.293 236 A C 0.149 177.758 177.584 0.043 0.000 1.216 236 A CA 0.082 52.137 52.037 0.030 0.000 0.742 236 A CB 0.078 19.096 19.000 0.030 0.000 1.170 236 A HN 1.375 nan 8.150 nan 0.000 0.443 237 T N -1.056 113.525 114.554 0.046 0.000 2.884 237 T HA 0.621 4.971 4.350 -0.000 0.000 0.277 237 T C 1.632 176.364 174.700 0.053 0.000 0.976 237 T CA 0.038 62.167 62.100 0.049 0.000 0.956 237 T CB 1.183 70.079 68.868 0.047 0.000 1.113 237 T HN 1.357 nan 8.240 nan 0.000 0.554 238 A N 0.955 123.806 122.820 0.051 0.000 1.971 238 A HA -0.160 4.159 4.320 -0.000 0.000 0.222 238 A C 2.367 179.981 177.584 0.050 0.000 1.182 238 A CA 2.622 54.689 52.037 0.051 0.000 0.649 238 A CB -1.472 17.555 19.000 0.045 0.000 0.818 238 A HN 1.234 nan 8.150 nan 0.000 0.458 239 S N -0.870 114.858 115.700 0.047 0.000 2.540 239 S HA 0.175 4.645 4.470 -0.000 0.000 0.218 239 S C 0.267 174.898 174.600 0.052 0.000 0.977 239 S CA -0.349 57.878 58.200 0.045 0.000 0.918 239 S CB -0.061 63.161 63.200 0.037 0.000 0.806 239 S HN 0.604 nan 8.310 nan 0.000 0.496 240 E N 1.914 122.150 120.200 0.059 0.000 2.383 240 E HA 0.462 4.812 4.350 -0.000 0.000 0.264 240 E C 0.138 176.792 176.600 0.090 0.000 1.050 240 E CA -0.206 56.236 56.400 0.070 0.000 0.896 240 E CB 0.754 30.494 29.700 0.068 0.000 0.982 240 E HN 0.467 nan 8.360 nan 0.000 0.424 241 A N 2.101 124.983 122.820 0.103 0.000 2.584 241 A HA 0.090 4.410 4.320 -0.000 0.000 0.239 241 A C 1.376 179.058 177.584 0.164 0.000 1.043 241 A CA 0.740 52.850 52.037 0.123 0.000 0.756 241 A CB 0.173 19.257 19.000 0.139 0.000 0.963 241 A HN 0.816 nan 8.150 nan 0.000 0.511 242 A N 4.385 127.305 122.820 0.167 0.000 1.917 242 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 242 A C -0.083 177.720 177.584 0.365 0.000 1.182 242 A CA 2.115 54.286 52.037 0.224 0.000 0.633 242 A CB -1.583 17.527 19.000 0.184 0.000 0.819 242 A HN 0.656 nan 8.150 nan 0.000 0.448 243 P HA -0.121 nan 4.420 nan 0.000 0.219 243 P C 1.414 178.878 177.300 0.273 0.000 1.146 243 P CA 0.786 64.183 63.100 0.494 0.000 0.808 243 P CB -0.130 31.808 31.700 0.397 0.000 0.779 244 L N -1.058 120.324 121.223 0.265 0.000 2.109 244 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 244 L C 2.594 179.498 176.870 0.057 0.000 1.086 244 L CA 1.475 56.374 54.840 0.098 0.000 0.760 244 L CB -0.726 41.391 42.059 0.097 0.000 0.910 244 L HN 0.016 nan 8.230 nan 0.000 0.437 245 Q N -0.781 119.100 119.800 0.134 0.000 2.079 245 Q HA -0.228 4.112 4.340 -0.000 0.000 0.200 245 Q C 2.009 178.112 176.000 0.170 0.000 0.974 245 Q CA 1.838 57.720 55.803 0.133 0.000 0.840 245 Q CB -0.191 28.642 28.738 0.157 0.000 0.898 245 Q HN 0.641 nan 8.270 nan 0.000 0.430 246 Y N -0.386 120.012 120.300 0.163 0.000 2.544 246 Y HA 0.030 4.580 4.550 -0.000 0.000 0.286 246 Y C 1.633 177.692 175.900 0.264 0.000 1.141 246 Y CA 0.134 58.348 58.100 0.189 0.000 1.299 246 Y CB -0.046 38.578 38.460 0.273 0.000 1.030 246 Y HN 0.011 nan 8.280 nan 0.000 0.543 247 L N 1.298 122.359 121.223 -0.270 0.000 2.095 247 L HA 0.131 4.471 4.340 -0.000 0.000 0.204 247 L C 2.602 179.487 176.870 0.025 0.000 1.080 247 L CA 1.821 56.574 54.840 -0.146 0.000 0.759 247 L CB -1.269 40.643 42.059 -0.245 0.000 0.914 247 L HN 0.276 nan 8.230 nan 0.000 0.439 248 A N 0.587 123.392 122.820 -0.025 0.000 1.894 248 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 248 A C 0.088 177.665 177.584 -0.012 0.000 1.237 248 A CA 2.683 54.709 52.037 -0.018 0.000 0.660 248 A CB -2.345 16.648 19.000 -0.012 0.000 0.835 248 A HN 0.446 nan 8.150 nan 0.000 0.461 249 P HA -0.124 nan 4.420 nan 0.000 0.218 249 P C 0.972 178.208 177.300 -0.108 0.000 1.148 249 P CA 1.159 64.213 63.100 -0.077 0.000 0.822 249 P CB -0.196 31.233 31.700 -0.451 0.000 0.784 250 F N -0.281 119.673 119.950 0.007 0.000 2.206 250 F HA -0.123 4.404 4.527 -0.000 0.000 0.298 250 F C 2.417 178.223 175.800 0.010 0.000 1.090 250 F CA 1.798 59.791 58.000 -0.011 0.000 1.323 250 F CB -2.049 36.910 39.000 -0.068 0.000 1.028 250 F HN -0.018 nan 8.300 nan 0.000 0.492 251 T N -2.164 112.484 114.554 0.157 0.000 2.942 251 T HA 0.056 4.406 4.350 -0.000 0.000 0.265 251 T C 2.165 176.913 174.700 0.079 0.000 1.062 251 T CA 0.757 62.907 62.100 0.083 0.000 1.139 251 T CB -0.726 68.152 68.868 0.016 0.000 0.883 251 T HN 0.171 nan 8.240 nan 0.000 0.468 252 A N 2.060 124.926 122.820 0.078 0.000 1.902 252 A HA 0.318 4.638 4.320 -0.000 0.000 0.217 252 A C 2.844 180.490 177.584 0.104 0.000 1.181 252 A CA 1.832 53.910 52.037 0.069 0.000 0.623 252 A CB -1.460 17.557 19.000 0.029 0.000 0.818 252 A HN 0.730 nan 8.150 nan 0.000 0.443 253 A N -0.478 122.437 122.820 0.158 0.000 1.917 253 A HA -0.155 4.164 4.320 -0.000 0.000 0.219 253 A C 2.459 180.135 177.584 0.153 0.000 1.182 253 A CA 2.335 54.480 52.037 0.180 0.000 0.633 253 A CB -0.937 18.187 19.000 0.208 0.000 0.819 253 A HN 0.462 nan 8.150 nan 0.000 0.448 254 S N -0.509 115.274 115.700 0.138 0.000 2.383 254 S HA -0.060 4.409 4.470 -0.000 0.000 0.227 254 S C 1.786 176.471 174.600 0.141 0.000 1.026 254 S CA 1.270 59.544 58.200 0.123 0.000 0.981 254 S CB -0.470 62.786 63.200 0.094 0.000 0.818 254 S HN 0.537 nan 8.310 nan 0.000 0.472 255 I N 1.532 122.184 120.570 0.137 0.000 2.163 255 I HA -0.177 3.993 4.170 -0.000 0.000 0.243 255 I C 2.702 179.010 176.117 0.318 0.000 1.085 255 I CA 1.280 62.686 61.300 0.176 0.000 1.347 255 I CB -0.852 37.233 38.000 0.142 0.000 1.044 255 I HN 0.368 nan 8.210 nan 0.000 0.408 256 G N 0.075 109.037 108.800 0.270 0.000 2.442 256 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.219 256 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.219 256 G C 1.526 176.636 174.900 0.351 0.000 1.141 256 G CA 0.695 45.985 45.100 0.315 0.000 0.763 256 G HN 0.433 nan 8.290 nan 0.000 0.554 257 E N -1.052 119.291 120.200 0.237 0.000 2.347 257 E HA -0.051 4.299 4.350 -0.000 0.000 0.196 257 E C 1.850 178.518 176.600 0.113 0.000 1.008 257 E CA 0.002 56.498 56.400 0.159 0.000 0.852 257 E CB -0.130 29.634 29.700 0.107 0.000 0.783 257 E HN 0.693 nan 8.360 nan 0.000 0.505 258 W N 0.288 121.556 121.300 -0.053 0.000 2.358 258 W HA -0.208 4.452 4.660 -0.000 0.000 0.303 258 W C 1.302 177.630 176.519 -0.319 0.000 1.208 258 W CA 1.488 58.684 57.345 -0.249 0.000 1.274 258 W CB -0.182 29.012 29.460 -0.444 0.000 1.138 258 W HN -0.002 nan 8.180 nan 0.000 0.515 259 F N 0.122 120.234 119.950 0.271 0.000 2.113 259 F HA -0.102 4.425 4.527 -0.000 0.000 0.297 259 F C 2.690 178.434 175.800 -0.093 0.000 1.103 259 F CA 1.973 60.031 58.000 0.096 0.000 1.248 259 F CB -1.319 37.769 39.000 0.148 0.000 0.999 259 F HN -0.233 nan 8.300 nan 0.000 0.475 260 R N 0.675 121.269 120.500 0.157 0.000 2.103 260 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 260 R C 1.458 177.718 176.300 -0.067 0.000 1.142 260 R CA 2.148 58.285 56.100 0.062 0.000 0.960 260 R CB -0.430 29.925 30.300 0.092 0.000 0.858 260 R HN 0.213 nan 8.270 nan 0.000 0.439 261 D N -0.261 120.035 120.400 -0.172 0.000 2.317 261 D HA -0.042 4.598 4.640 -0.000 0.000 0.211 261 D C 0.375 176.484 176.300 -0.318 0.000 0.966 261 D CA 0.709 54.576 54.000 -0.223 0.000 0.876 261 D CB -0.049 40.602 40.800 -0.249 0.000 0.927 261 D HN 0.241 nan 8.370 nan 0.000 0.519 262 N N 0.189 118.607 118.700 -0.470 0.000 2.380 262 N HA 0.160 4.899 4.740 -0.000 0.000 0.255 262 N C 0.811 176.141 175.510 -0.300 0.000 1.158 262 N CA 0.091 52.836 53.050 -0.508 0.000 0.878 262 N CB 1.262 39.148 38.487 -1.002 0.000 1.138 262 N HN 0.068 nan 8.380 nan 0.000 0.509 263 G N 1.119 109.798 108.800 -0.201 0.000 2.187 263 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.261 263 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.261 263 G C 0.214 174.983 174.900 -0.217 0.000 1.000 263 G CA 0.803 45.811 45.100 -0.152 0.000 0.718 263 G HN 0.348 nan 8.290 nan 0.000 0.519 264 K N -0.561 119.721 120.400 -0.197 0.000 2.288 264 K HA 0.716 5.035 4.320 -0.000 0.000 0.234 264 K C -0.214 176.230 176.600 -0.260 0.000 1.037 264 K CA -0.985 55.189 56.287 -0.188 0.000 0.914 264 K CB 0.927 33.537 32.500 0.184 0.000 1.197 264 K HN 0.306 nan 8.250 nan 0.000 0.471 265 H N -0.353 118.862 119.070 0.242 0.000 2.529 265 H HA 0.539 5.095 4.556 -0.000 0.000 0.348 265 H C -1.107 174.310 175.328 0.149 0.000 1.079 265 H CA -0.910 55.224 56.048 0.144 0.000 1.198 265 H CB 1.811 31.592 29.762 0.032 0.000 1.521 265 H HN 0.652 nan 8.280 nan 0.000 0.514 266 A N 3.200 126.147 122.820 0.211 0.000 2.355 266 A HA 0.483 4.803 4.320 -0.000 0.000 0.317 266 A C -0.962 176.648 177.584 0.043 0.000 1.094 266 A CA -0.710 51.370 52.037 0.071 0.000 0.764 266 A CB 1.446 20.484 19.000 0.063 0.000 1.230 266 A HN 0.492 nan 8.150 nan 0.000 0.448 267 L N 2.997 124.217 121.223 -0.004 0.000 2.282 267 L HA 0.742 5.081 4.340 -0.000 0.000 0.288 267 L C -0.735 176.106 176.870 -0.048 0.000 1.033 267 L CA -0.349 54.479 54.840 -0.021 0.000 0.807 267 L CB 0.968 43.014 42.059 -0.021 0.000 1.209 267 L HN 0.644 nan 8.230 nan 0.000 0.423 268 I N 5.613 126.122 120.570 -0.102 0.000 2.406 268 I HA 0.496 4.665 4.170 -0.000 0.000 0.290 268 I C -1.168 174.746 176.117 -0.340 0.000 0.999 268 I CA -0.712 60.443 61.300 -0.243 0.000 1.124 268 I CB 1.649 39.435 38.000 -0.356 0.000 1.289 268 I HN 0.406 nan 8.210 nan 0.000 0.441 269 V N 8.219 127.955 119.914 -0.297 0.000 2.370 269 V HA 0.260 4.380 4.120 -0.000 0.000 0.279 269 V C -0.930 174.890 176.094 -0.457 0.000 1.029 269 V CA -0.390 61.751 62.300 -0.264 0.000 0.870 269 V CB 0.875 32.691 31.823 -0.012 0.000 0.984 269 V HN 0.488 nan 8.190 nan 0.000 0.451 270 Y N 2.634 122.835 120.300 -0.165 0.000 2.518 270 Y HA 0.429 4.979 4.550 -0.000 0.000 0.344 270 Y C 0.360 176.130 175.900 -0.216 0.000 0.982 270 Y CA -0.797 57.175 58.100 -0.213 0.000 1.234 270 Y CB 0.639 38.987 38.460 -0.187 0.000 1.114 270 Y HN 0.533 nan 8.280 nan 0.000 0.515 271 D N 3.741 124.027 120.400 -0.190 0.000 2.462 271 D HA 0.203 4.842 4.640 -0.000 0.000 0.249 271 D C -1.255 174.982 176.300 -0.106 0.000 1.117 271 D CA -0.350 53.555 54.000 -0.158 0.000 0.900 271 D CB 0.244 40.889 40.800 -0.258 0.000 1.039 271 D HN 0.688 nan 8.370 nan 0.000 0.516 272 D N 0.457 120.834 120.400 -0.038 0.000 2.579 272 D HA 0.204 4.844 4.640 -0.000 0.000 0.257 272 D C 0.829 177.115 176.300 -0.024 0.000 1.176 272 D CA -0.708 53.276 54.000 -0.027 0.000 0.914 272 D CB 0.845 41.635 40.800 -0.017 0.000 1.431 272 D HN 0.073 nan 8.370 nan 0.000 0.454 273 L N 0.011 121.188 121.223 -0.077 0.000 2.240 273 L HA -0.010 4.330 4.340 -0.000 0.000 0.211 273 L C 1.983 178.856 176.870 0.005 0.000 1.106 273 L CA 0.523 55.296 54.840 -0.110 0.000 0.793 273 L CB -0.507 41.269 42.059 -0.472 0.000 0.927 273 L HN 0.398 nan 8.230 nan 0.000 0.446 274 S N 0.494 116.188 115.700 -0.011 0.000 2.380 274 S HA -0.234 4.236 4.470 -0.000 0.000 0.229 274 S C 2.011 176.677 174.600 0.111 0.000 1.043 274 S CA 1.667 59.899 58.200 0.054 0.000 1.038 274 S CB -0.098 63.129 63.200 0.045 0.000 0.872 274 S HN 0.402 nan 8.310 nan 0.000 0.456 275 K N 0.711 121.164 120.400 0.088 0.000 2.044 275 K HA -0.022 4.298 4.320 -0.000 0.000 0.204 275 K C 2.496 179.176 176.600 0.133 0.000 1.049 275 K CA 0.772 57.121 56.287 0.103 0.000 0.945 275 K CB -0.214 32.330 32.500 0.073 0.000 0.724 275 K HN 0.316 nan 8.250 nan 0.000 0.440 276 Q N 0.964 120.838 119.800 0.124 0.000 2.062 276 Q HA -0.251 4.089 4.340 -0.000 0.000 0.209 276 Q C 2.035 178.154 176.000 0.200 0.000 0.996 276 Q CA 2.116 58.013 55.803 0.157 0.000 0.859 276 Q CB -0.216 28.583 28.738 0.101 0.000 0.920 276 Q HN 0.338 nan 8.270 nan 0.000 0.415 277 A N -0.058 122.885 122.820 0.206 0.000 1.940 277 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 277 A C 2.227 180.007 177.584 0.328 0.000 1.176 277 A CA 1.624 53.780 52.037 0.198 0.000 0.631 277 A CB -0.699 18.390 19.000 0.147 0.000 0.814 277 A HN 0.338 nan 8.150 nan 0.000 0.446 278 V N -0.439 119.646 119.914 0.284 0.000 2.358 278 V HA -0.202 3.918 4.120 -0.000 0.000 0.246 278 V C 3.036 179.231 176.094 0.169 0.000 1.047 278 V CA 1.773 64.219 62.300 0.242 0.000 1.035 278 V CB -1.007 30.919 31.823 0.173 0.000 0.658 278 V HN 0.634 nan 8.190 nan 0.000 0.452 279 A N -0.778 122.150 122.820 0.180 0.000 1.865 279 A HA -0.306 4.014 4.320 -0.000 0.000 0.217 279 A C 2.170 179.849 177.584 0.158 0.000 1.191 279 A CA 2.257 54.402 52.037 0.180 0.000 0.623 279 A CB -0.929 18.214 19.000 0.239 0.000 0.826 279 A HN 0.606 nan 8.150 nan 0.000 0.444 280 Y N 0.502 120.806 120.300 0.006 0.000 2.207 280 Y HA -0.229 4.321 4.550 -0.000 0.000 0.287 280 Y C 2.497 178.333 175.900 -0.108 0.000 1.156 280 Y CA 2.066 60.036 58.100 -0.216 0.000 1.182 280 Y CB -0.351 37.959 38.460 -0.250 0.000 0.979 280 Y HN 0.371 nan 8.280 nan 0.000 0.521 281 R N 0.068 120.572 120.500 0.007 0.000 2.115 281 R HA -0.194 4.145 4.340 -0.000 0.000 0.230 281 R C 2.419 178.643 176.300 -0.126 0.000 1.111 281 R CA 1.578 57.638 56.100 -0.066 0.000 0.976 281 R CB -0.321 29.973 30.300 -0.009 0.000 0.870 281 R HN 0.536 nan 8.270 nan 0.000 0.445 282 Q N 0.571 120.328 119.800 -0.071 0.000 2.050 282 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 282 Q C 2.161 178.109 176.000 -0.087 0.000 0.980 282 Q CA 1.543 57.314 55.803 -0.054 0.000 0.840 282 Q CB -0.107 28.633 28.738 0.003 0.000 0.898 282 Q HN 0.494 nan 8.270 nan 0.000 0.424 283 L N 0.188 121.335 121.223 -0.127 0.000 2.046 283 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 283 L C 2.292 179.030 176.870 -0.221 0.000 1.077 283 L CA 1.506 56.254 54.840 -0.153 0.000 0.747 283 L CB -0.221 41.721 42.059 -0.194 0.000 0.896 283 L HN 0.218 nan 8.230 nan 0.000 0.432 284 S N -0.021 115.471 115.700 -0.347 0.000 2.368 284 S HA -0.116 4.354 4.470 -0.000 0.000 0.224 284 S C 1.811 176.313 174.600 -0.164 0.000 1.029 284 S CA 1.304 59.319 58.200 -0.308 0.000 0.988 284 S CB -0.276 62.685 63.200 -0.397 0.000 0.838 284 S HN 0.369 nan 8.310 nan 0.000 0.462 285 L N 1.007 122.151 121.223 -0.133 0.000 2.217 285 L HA 0.012 4.352 4.340 -0.000 0.000 0.211 285 L C 1.999 178.827 176.870 -0.070 0.000 1.107 285 L CA 0.728 55.516 54.840 -0.087 0.000 0.783 285 L CB -0.516 41.495 42.059 -0.080 0.000 0.919 285 L HN 0.261 nan 8.230 nan 0.000 0.442 286 L N -0.679 120.499 121.223 -0.074 0.000 2.156 286 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 286 L C 2.077 178.916 176.870 -0.052 0.000 1.095 286 L CA 0.798 55.605 54.840 -0.054 0.000 0.770 286 L CB -0.258 41.774 42.059 -0.045 0.000 0.914 286 L HN 0.263 nan 8.230 nan 0.000 0.439 287 L N -0.209 120.973 121.223 -0.068 0.000 2.610 287 L HA 0.030 4.370 4.340 -0.000 0.000 0.232 287 L C 0.831 177.674 176.870 -0.046 0.000 1.149 287 L CA 0.200 55.007 54.840 -0.056 0.000 0.872 287 L CB -0.276 41.741 42.059 -0.070 0.000 0.992 287 L HN 0.309 nan 8.230 nan 0.000 0.447 288 R N -0.958 119.514 120.500 -0.047 0.000 4.000 288 R HA -0.150 4.190 4.340 -0.000 0.000 0.362 288 R C -0.134 176.146 176.300 -0.034 0.000 1.183 288 R CA 0.387 56.465 56.100 -0.037 0.000 1.011 288 R CB -1.567 28.718 30.300 -0.025 0.000 1.501 288 R HN 0.317 nan 8.270 nan 0.000 0.553 289 R N 1.891 122.364 120.500 -0.045 0.000 2.538 289 R HA 0.081 4.420 4.340 -0.000 0.000 0.282 289 R C -1.820 174.464 176.300 -0.026 0.000 1.009 289 R CA -0.996 55.083 56.100 -0.034 0.000 1.063 289 R CB -0.180 30.089 30.300 -0.052 0.000 0.945 289 R HN 0.077 nan 8.270 nan 0.000 0.414 290 P HA 0.164 nan 4.420 nan 0.000 0.276 290 P C -2.371 174.930 177.300 0.001 0.000 1.230 290 P CA -1.367 61.728 63.100 -0.007 0.000 0.776 290 P CB 0.087 31.786 31.700 -0.002 0.000 0.888 291 P HA 0.159 nan 4.420 nan 0.000 0.276 291 P C 0.505 177.813 177.300 0.014 0.000 1.235 291 P CA 0.250 63.350 63.100 0.000 0.000 0.772 291 P CB 0.799 32.484 31.700 -0.025 0.000 0.871 292 G N 2.843 111.673 108.800 0.049 0.000 2.630 292 G HA2 0.248 4.208 3.960 -0.000 0.000 0.223 292 G HA3 0.248 4.208 3.960 -0.000 0.000 0.223 292 G C -0.308 174.586 174.900 -0.010 0.000 1.434 292 G CA -0.879 44.237 45.100 0.027 0.000 1.057 292 G HN 0.557 nan 8.290 nan 0.000 0.570 293 R N 0.444 120.872 120.500 -0.122 0.000 2.523 293 R HA -0.006 4.334 4.340 -0.000 0.000 0.281 293 R C 0.212 176.529 176.300 0.028 0.000 0.969 293 R CA 0.953 56.927 56.100 -0.210 0.000 1.093 293 R CB -0.264 29.603 30.300 -0.722 0.000 0.917 293 R HN 0.703 nan 8.270 nan 0.000 0.408 294 E N 2.665 122.893 120.200 0.046 0.000 2.494 294 E HA -0.346 4.003 4.350 -0.000 0.000 0.249 294 E C 0.425 176.979 176.600 -0.076 0.000 1.184 294 E CA 0.457 56.903 56.400 0.077 0.000 0.727 294 E CB -1.267 28.588 29.700 0.257 0.000 1.281 294 E HN 0.861 nan 8.360 nan 0.000 0.405 295 A N -2.305 120.485 122.820 -0.050 0.000 3.153 295 A HA -0.316 4.004 4.320 -0.000 0.000 0.265 295 A C 0.144 177.674 177.584 -0.090 0.000 1.212 295 A CA 1.775 53.755 52.037 -0.095 0.000 1.018 295 A CB -1.970 16.944 19.000 -0.145 0.000 1.130 295 A HN 0.444 nan 8.150 nan 0.000 0.873 296 Y N 0.779 121.149 120.300 0.115 0.000 2.397 296 Y HA 0.422 4.972 4.550 -0.000 0.000 0.335 296 Y C -1.274 174.715 175.900 0.147 0.000 1.213 296 Y CA -1.038 57.162 58.100 0.165 0.000 1.391 296 Y CB 0.294 38.947 38.460 0.322 0.000 1.293 296 Y HN 0.260 nan 8.280 nan 0.000 0.557 297 P HA 0.046 nan 4.420 nan 0.000 0.274 297 P C 0.553 178.006 177.300 0.256 0.000 1.231 297 P CA -0.036 63.177 63.100 0.188 0.000 0.790 297 P CB 1.112 32.872 31.700 0.100 0.000 0.951 298 G N 2.153 111.071 108.800 0.197 0.000 2.479 298 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.220 298 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.220 298 G C 0.726 175.767 174.900 0.235 0.000 1.115 298 G CA 0.615 45.840 45.100 0.208 0.000 0.757 298 G HN 0.630 nan 8.290 nan 0.000 0.560 299 D N 0.175 120.722 120.400 0.246 0.000 2.336 299 D HA 0.076 4.716 4.640 -0.000 0.000 0.228 299 D C 1.776 178.226 176.300 0.251 0.000 1.120 299 D CA -0.325 53.843 54.000 0.280 0.000 0.839 299 D CB 0.073 41.052 40.800 0.299 0.000 0.932 299 D HN 0.126 nan 8.370 nan 0.000 0.509 300 V N -0.195 119.849 119.914 0.217 0.000 2.809 300 V HA -0.112 4.008 4.120 -0.000 0.000 0.256 300 V C 1.638 177.674 176.094 -0.096 0.000 1.080 300 V CA 0.950 63.269 62.300 0.032 0.000 1.102 300 V CB -0.751 31.077 31.823 0.009 0.000 0.705 300 V HN 0.171 nan 8.190 nan 0.000 0.475 301 F N 0.010 119.914 119.950 -0.077 0.000 2.098 301 F HA -0.149 4.378 4.527 -0.000 0.000 0.294 301 F C 2.157 177.976 175.800 0.032 0.000 1.107 301 F CA 2.180 60.155 58.000 -0.042 0.000 1.234 301 F CB -0.757 38.251 39.000 0.015 0.000 1.002 301 F HN 0.315 nan 8.300 nan 0.000 0.472 302 Y N 0.831 121.099 120.300 -0.052 0.000 2.193 302 Y HA -0.264 4.286 4.550 -0.000 0.000 0.285 302 Y C 2.221 177.995 175.900 -0.210 0.000 1.166 302 Y CA 1.765 59.786 58.100 -0.133 0.000 1.181 302 Y CB -1.032 37.433 38.460 0.008 0.000 0.976 302 Y HN 0.260 nan 8.280 nan 0.000 0.520 303 L N -0.052 120.977 121.223 -0.324 0.000 1.971 303 L HA -0.286 4.053 4.340 -0.000 0.000 0.215 303 L C 2.244 178.898 176.870 -0.359 0.000 1.072 303 L CA 2.590 57.159 54.840 -0.451 0.000 0.758 303 L CB -1.165 40.483 42.059 -0.685 0.000 0.889 303 L HN 0.374 nan 8.230 nan 0.000 0.433 304 H N -1.363 117.511 119.070 -0.326 0.000 2.428 304 H HA -0.058 4.498 4.556 -0.000 0.000 0.296 304 H C 2.384 177.471 175.328 -0.402 0.000 1.062 304 H CA 1.086 56.910 56.048 -0.375 0.000 1.350 304 H CB -0.050 29.502 29.762 -0.349 0.000 1.403 304 H HN 0.591 nan 8.280 nan 0.000 0.533 305 S N 1.449 116.896 115.700 -0.422 0.000 2.383 305 S HA -0.189 4.281 4.470 -0.000 0.000 0.227 305 S C 2.084 176.560 174.600 -0.208 0.000 1.026 305 S CA 1.012 58.961 58.200 -0.419 0.000 0.981 305 S CB -0.152 62.617 63.200 -0.719 0.000 0.818 305 S HN 0.561 nan 8.310 nan 0.000 0.472 306 R N 0.625 120.983 120.500 -0.237 0.000 2.115 306 R HA 0.157 4.497 4.340 -0.000 0.000 0.226 306 R C 2.313 178.586 176.300 -0.044 0.000 1.100 306 R CA 1.011 57.019 56.100 -0.154 0.000 0.980 306 R CB -0.802 29.279 30.300 -0.365 0.000 0.875 306 R HN 0.431 nan 8.270 nan 0.000 0.445 307 L N 1.529 122.736 121.223 -0.026 0.000 1.976 307 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 307 L C 2.136 178.946 176.870 -0.100 0.000 1.071 307 L CA 1.708 56.504 54.840 -0.074 0.000 0.746 307 L CB -0.334 41.474 42.059 -0.419 0.000 0.890 307 L HN 0.207 nan 8.230 nan 0.000 0.432 308 L N -0.586 120.553 121.223 -0.140 0.000 2.376 308 L HA -0.063 4.277 4.340 -0.000 0.000 0.219 308 L C 2.362 179.225 176.870 -0.011 0.000 1.133 308 L CA 0.452 55.248 54.840 -0.074 0.000 0.816 308 L CB -0.564 41.433 42.059 -0.104 0.000 0.933 308 L HN 0.332 nan 8.230 nan 0.000 0.449 309 E N 0.394 120.585 120.200 -0.016 0.000 2.338 309 E HA -0.153 4.197 4.350 -0.000 0.000 0.197 309 E C 1.984 178.607 176.600 0.037 0.000 1.007 309 E CA 0.587 56.996 56.400 0.015 0.000 0.849 309 E CB 0.077 29.788 29.700 0.018 0.000 0.774 309 E HN 0.494 nan 8.360 nan 0.000 0.506 310 R N 0.431 120.959 120.500 0.048 0.000 2.236 310 R HA 0.083 4.423 4.340 -0.000 0.000 0.208 310 R C 0.912 177.260 176.300 0.079 0.000 1.036 310 R CA 0.250 56.391 56.100 0.069 0.000 1.001 310 R CB 0.138 30.492 30.300 0.090 0.000 0.896 310 R HN -0.069 nan 8.270 nan 0.000 0.464 311 A N 1.076 123.943 122.820 0.079 0.000 2.388 311 A HA 0.643 4.962 4.320 -0.000 0.000 0.257 311 A C -0.193 177.426 177.584 0.058 0.000 1.095 311 A CA 0.085 52.167 52.037 0.075 0.000 0.791 311 A CB 0.589 19.634 19.000 0.075 0.000 1.029 311 A HN 0.290 nan 8.150 nan 0.000 0.489 312 A N 1.463 124.317 122.820 0.058 0.000 2.583 312 A HA 0.637 4.957 4.320 -0.000 0.000 0.292 312 A C -0.984 176.634 177.584 0.055 0.000 1.045 312 A CA -0.672 51.395 52.037 0.051 0.000 0.672 312 A CB 0.893 19.922 19.000 0.049 0.000 1.283 312 A HN 1.020 nan 8.150 nan 0.000 0.419 313 K N 1.325 121.756 120.400 0.052 0.000 2.265 313 K HA 0.730 5.050 4.320 -0.000 0.000 0.267 313 K C -1.316 175.323 176.600 0.064 0.000 0.994 313 K CA -0.285 56.041 56.287 0.064 0.000 0.860 313 K CB 0.600 33.137 32.500 0.061 0.000 1.099 313 K HN 0.596 nan 8.250 nan 0.000 0.448 314 L N 3.429 124.694 121.223 0.071 0.000 2.343 314 L HA 0.404 4.744 4.340 -0.000 0.000 0.275 314 L C 0.608 177.508 176.870 0.051 0.000 1.056 314 L CA -0.906 53.964 54.840 0.051 0.000 0.804 314 L CB 1.637 43.719 42.059 0.037 0.000 1.203 314 L HN 0.936 nan 8.230 nan 0.000 0.440 315 S N 0.972 116.691 115.700 0.031 0.000 2.612 315 S HA 0.016 4.486 4.470 -0.000 0.000 0.253 315 S C 0.779 175.391 174.600 0.022 0.000 1.346 315 S CA -0.385 57.828 58.200 0.022 0.000 0.976 315 S CB 0.581 63.787 63.200 0.010 0.000 0.949 315 S HN 0.638 nan 8.310 nan 0.000 0.584 316 E N 0.341 120.549 120.200 0.013 0.000 2.107 316 E HA -0.013 4.337 4.350 -0.000 0.000 0.191 316 E C 1.914 178.515 176.600 0.002 0.000 0.982 316 E CA 0.977 57.383 56.400 0.010 0.000 0.809 316 E CB -0.225 29.477 29.700 0.004 0.000 0.756 316 E HN 0.660 nan 8.360 nan 0.000 0.459 317 K N 0.616 121.016 120.400 -0.001 0.000 2.032 317 K HA -0.144 4.176 4.320 -0.000 0.000 0.209 317 K C 1.294 177.888 176.600 -0.011 0.000 1.048 317 K CA 1.184 57.467 56.287 -0.006 0.000 0.927 317 K CB 0.132 32.629 32.500 -0.005 0.000 0.712 317 K HN 0.011 nan 8.250 nan 0.000 0.441 318 E N -0.933 119.262 120.200 -0.009 0.000 2.502 318 E HA 0.016 4.365 4.350 -0.000 0.000 0.194 318 E C 0.890 177.474 176.600 -0.028 0.000 1.062 318 E CA 0.716 57.105 56.400 -0.018 0.000 0.867 318 E CB 0.815 30.509 29.700 -0.010 0.000 0.888 318 E HN 0.599 nan 8.360 nan 0.000 0.510 319 G N 0.642 109.430 108.800 -0.020 0.000 2.176 319 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.232 319 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.232 319 G C 0.653 175.548 174.900 -0.008 0.000 0.986 319 G CA 0.345 45.428 45.100 -0.028 0.000 0.643 319 G HN 0.138 nan 8.290 nan 0.000 0.522 320 S N -1.694 114.020 115.700 0.024 0.000 2.981 320 S HA -0.175 4.295 4.470 -0.000 0.000 0.274 320 S C 1.781 176.451 174.600 0.116 0.000 1.297 320 S CA 1.655 59.901 58.200 0.076 0.000 1.266 320 S CB -1.463 61.792 63.200 0.092 0.000 1.542 320 S HN 2.254 nan 8.310 nan 0.000 0.674 321 G N 1.267 110.093 108.800 0.043 0.000 2.636 321 G HA2 0.496 4.456 3.960 -0.000 0.000 0.246 321 G HA3 0.496 4.456 3.960 -0.000 0.000 0.246 321 G C -0.002 174.998 174.900 0.167 0.000 1.216 321 G CA 0.489 45.615 45.100 0.043 0.000 0.854 321 G HN 1.225 nan 8.290 nan 0.000 0.572 322 S N -1.010 114.858 115.700 0.280 0.000 2.651 322 S HA 0.717 5.187 4.470 -0.000 0.000 0.279 322 S C -1.387 173.320 174.600 0.178 0.000 1.148 322 S CA -0.871 57.457 58.200 0.213 0.000 0.837 322 S CB 2.070 65.377 63.200 0.179 0.000 1.138 322 S HN 1.078 nan 8.310 nan 0.000 0.478 323 L N 0.974 122.266 121.223 0.116 0.000 2.438 323 L HA 0.740 5.080 4.340 -0.000 0.000 0.270 323 L C -1.012 175.894 176.870 0.059 0.000 0.972 323 L CA 0.173 55.073 54.840 0.100 0.000 0.831 323 L CB 2.133 44.256 42.059 0.107 0.000 1.273 323 L HN 0.936 nan 8.230 nan 0.000 0.405 324 T N 4.196 118.770 114.554 0.034 0.000 2.779 324 T HA 0.834 5.184 4.350 -0.000 0.000 0.280 324 T C -0.488 174.214 174.700 0.002 0.000 0.987 324 T CA -0.250 61.856 62.100 0.009 0.000 0.966 324 T CB 1.395 70.251 68.868 -0.020 0.000 0.933 324 T HN 0.789 nan 8.240 nan 0.000 0.442 325 A N 3.646 126.481 122.820 0.024 0.000 2.304 325 A HA 0.776 5.096 4.320 -0.000 0.000 0.323 325 A C -0.448 177.155 177.584 0.032 0.000 1.195 325 A CA -0.652 51.409 52.037 0.040 0.000 0.826 325 A CB 0.456 19.553 19.000 0.160 0.000 1.184 325 A HN 0.870 nan 8.150 nan 0.000 0.496 326 L N 4.819 126.043 121.223 0.002 0.000 2.502 326 L HA 0.311 4.651 4.340 -0.000 0.000 0.247 326 L C -2.308 174.589 176.870 0.044 0.000 1.180 326 L CA -1.726 53.124 54.840 0.016 0.000 0.956 326 L CB 1.600 43.658 42.059 -0.002 0.000 1.282 326 L HN 0.515 nan 8.230 nan 0.000 0.470 327 P HA 0.133 nan 4.420 nan 0.000 0.275 327 P C -0.589 176.716 177.300 0.008 0.000 1.228 327 P CA -0.150 62.998 63.100 0.080 0.000 0.786 327 P CB 2.060 33.759 31.700 -0.001 0.000 0.927 328 V N 4.425 124.333 119.914 -0.011 0.000 2.409 328 V HA 0.350 4.470 4.120 -0.000 0.000 0.291 328 V C 0.345 176.411 176.094 -0.047 0.000 1.020 328 V CA -0.576 61.713 62.300 -0.019 0.000 0.848 328 V CB 1.518 33.336 31.823 -0.008 0.000 0.990 328 V HN 0.419 nan 8.190 nan 0.000 0.430 329 I N 3.665 124.213 120.570 -0.037 0.000 2.474 329 I HA 0.451 4.621 4.170 -0.000 0.000 0.294 329 I C 0.115 176.233 176.117 0.002 0.000 1.005 329 I CA -0.414 60.865 61.300 -0.035 0.000 1.113 329 I CB 2.052 40.024 38.000 -0.045 0.000 1.289 329 I HN 0.736 nan 8.210 nan 0.000 0.436 330 E N 4.759 124.965 120.200 0.009 0.000 2.174 330 E HA 0.361 4.711 4.350 -0.000 0.000 0.282 330 E C -0.487 176.141 176.600 0.046 0.000 0.992 330 E CA -0.379 56.032 56.400 0.019 0.000 0.803 330 E CB 1.196 30.905 29.700 0.015 0.000 1.090 330 E HN 0.716 nan 8.360 nan 0.000 0.396 331 T N 1.713 116.307 114.554 0.066 0.000 2.862 331 T HA 0.341 4.691 4.350 -0.000 0.000 0.276 331 T C -0.038 174.705 174.700 0.072 0.000 0.974 331 T CA -0.974 61.181 62.100 0.092 0.000 0.966 331 T CB 1.453 70.417 68.868 0.160 0.000 1.072 331 T HN 0.343 nan 8.240 nan 0.000 0.538 332 Q N 0.032 119.877 119.800 0.075 0.000 2.331 332 Q HA 0.472 4.812 4.340 -0.000 0.000 0.267 332 Q C 0.908 176.943 176.000 0.058 0.000 1.006 332 Q CA -0.141 55.697 55.803 0.058 0.000 0.818 332 Q CB 1.486 30.259 28.738 0.058 0.000 1.276 332 Q HN 1.289 nan 8.270 nan 0.000 0.450 333 G N 1.752 110.580 108.800 0.046 0.000 2.337 333 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.290 333 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.290 333 G C 0.780 175.725 174.900 0.075 0.000 1.003 333 G CA 1.055 46.181 45.100 0.045 0.000 0.825 333 G HN 1.307 nan 8.290 nan 0.000 0.509 334 G N -0.800 108.071 108.800 0.118 0.000 2.221 334 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.265 334 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.265 334 G C 0.066 175.052 174.900 0.143 0.000 1.041 334 G CA 0.895 46.131 45.100 0.228 0.000 0.807 334 G HN 1.371 nan 8.290 nan 0.000 0.502 335 D N 0.262 120.719 120.400 0.094 0.000 2.500 335 D HA 0.414 5.054 4.640 -0.000 0.000 0.219 335 D C 1.797 178.114 176.300 0.028 0.000 1.137 335 D CA 0.087 54.112 54.000 0.041 0.000 0.946 335 D CB 0.557 41.384 40.800 0.045 0.000 1.022 335 D HN 0.498 nan 8.370 nan 0.000 0.518 336 V N 1.098 120.985 119.914 -0.045 0.000 3.078 336 V HA -0.051 4.069 4.120 -0.000 0.000 0.265 336 V C 1.537 177.611 176.094 -0.033 0.000 1.122 336 V CA 1.015 63.272 62.300 -0.071 0.000 1.141 336 V CB -0.433 31.245 31.823 -0.243 0.000 0.735 336 V HN 0.312 nan 8.190 nan 0.000 0.498 337 S N 0.498 116.187 115.700 -0.019 0.000 2.575 337 S HA 0.562 5.032 4.470 -0.000 0.000 0.215 337 S C 1.204 175.830 174.600 0.044 0.000 0.966 337 S CA 0.317 58.519 58.200 0.003 0.000 0.911 337 S CB -0.153 63.041 63.200 -0.008 0.000 0.780 337 S HN 0.870 nan 8.310 nan 0.000 0.514 338 A N 0.720 123.578 122.820 0.063 0.000 2.366 338 A HA 0.323 4.643 4.320 -0.000 0.000 0.250 338 A C 0.957 178.640 177.584 0.165 0.000 1.099 338 A CA -0.184 51.921 52.037 0.113 0.000 0.794 338 A CB -0.184 18.886 19.000 0.116 0.000 1.056 338 A HN 0.303 nan 8.150 nan 0.000 0.499 339 Y N 0.723 121.046 120.300 0.039 0.000 2.014 339 Y HA -0.251 4.299 4.550 -0.000 0.000 0.270 339 Y C 2.030 177.926 175.900 -0.007 0.000 1.145 339 Y CA 2.376 60.489 58.100 0.023 0.000 1.106 339 Y CB -0.328 38.163 38.460 0.052 0.000 0.968 339 Y HN 0.482 nan 8.280 nan 0.000 0.484 340 I N 0.258 120.744 120.570 -0.140 0.000 2.179 340 I HA -0.182 3.987 4.170 -0.000 0.000 0.242 340 I C -0.363 175.695 176.117 -0.098 0.000 1.088 340 I CA 1.244 62.398 61.300 -0.245 0.000 1.357 340 I CB -2.883 34.954 38.000 -0.272 0.000 1.051 340 I HN 0.162 nan 8.210 nan 0.000 0.409 341 P HA -0.188 nan 4.420 nan 0.000 0.215 341 P C 1.910 179.209 177.300 -0.002 0.000 1.163 341 P CA 2.817 65.915 63.100 -0.005 0.000 0.894 341 P CB -0.252 31.465 31.700 0.029 0.000 0.791 342 T N -4.144 110.420 114.554 0.017 0.000 2.867 342 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 342 T C 1.747 176.471 174.700 0.041 0.000 1.057 342 T CA 1.110 63.227 62.100 0.029 0.000 1.136 342 T CB -1.042 67.856 68.868 0.051 0.000 0.874 342 T HN -0.040 nan 8.240 nan 0.000 0.466 343 N N 1.419 120.131 118.700 0.020 0.000 2.043 343 N HA -0.070 4.670 4.740 -0.000 0.000 0.193 343 N C 1.991 177.586 175.510 0.141 0.000 1.037 343 N CA 1.443 54.561 53.050 0.114 0.000 0.851 343 N CB -0.735 37.765 38.487 0.021 0.000 1.027 343 N HN 0.344 nan 8.380 nan 0.000 0.422 344 V N 1.765 121.686 119.914 0.011 0.000 2.379 344 V HA -0.115 4.005 4.120 -0.000 0.000 0.245 344 V C 2.295 178.388 176.094 -0.001 0.000 1.044 344 V CA 0.941 63.212 62.300 -0.049 0.000 1.036 344 V CB -0.414 31.307 31.823 -0.170 0.000 0.664 344 V HN 0.218 nan 8.190 nan 0.000 0.453 345 I N 1.529 122.105 120.570 0.011 0.000 2.236 345 I HA -0.260 3.910 4.170 -0.000 0.000 0.249 345 I C 2.245 178.389 176.117 0.045 0.000 1.102 345 I CA 2.047 63.360 61.300 0.022 0.000 1.365 345 I CB -0.445 37.564 38.000 0.015 0.000 1.051 345 I HN 0.491 nan 8.210 nan 0.000 0.420 346 S N -0.607 115.142 115.700 0.081 0.000 2.671 346 S HA 0.230 4.700 4.470 -0.000 0.000 0.220 346 S C 1.324 176.026 174.600 0.169 0.000 0.951 346 S CA -0.062 58.207 58.200 0.115 0.000 0.932 346 S CB -0.229 63.042 63.200 0.119 0.000 0.777 346 S HN 0.448 nan 8.310 nan 0.000 0.508 347 I N 1.161 121.800 120.570 0.116 0.000 3.673 347 I HA 0.087 4.257 4.170 -0.000 0.000 0.281 347 I C 1.378 177.515 176.117 0.033 0.000 1.182 347 I CA 0.451 61.794 61.300 0.071 0.000 1.391 347 I CB -0.170 37.815 38.000 -0.024 0.000 1.383 347 I HN 0.320 nan 8.210 nan 0.000 0.456 348 T N -1.389 113.175 114.554 0.017 0.000 2.754 348 T HA 0.113 4.463 4.350 -0.000 0.000 0.286 348 T C 0.162 174.877 174.700 0.025 0.000 0.997 348 T CA -0.354 61.754 62.100 0.014 0.000 0.982 348 T CB 0.697 69.567 68.868 0.003 0.000 1.027 348 T HN 0.024 nan 8.240 nan 0.000 0.529 349 D N 0.746 121.160 120.400 0.023 0.000 3.071 349 D HA 0.451 5.091 4.640 -0.000 0.000 0.259 349 D C 0.832 177.146 176.300 0.023 0.000 1.331 349 D CA 0.187 54.201 54.000 0.024 0.000 0.861 349 D CB -0.288 40.525 40.800 0.022 0.000 1.059 349 D HN 1.043 nan 8.370 nan 0.000 0.486 350 G N 1.033 109.848 108.800 0.025 0.000 2.392 350 G HA2 0.116 4.076 3.960 -0.000 0.000 0.677 350 G HA3 0.116 4.076 3.960 -0.000 0.000 0.677 350 G C -1.617 173.302 174.900 0.032 0.000 1.334 350 G CA -1.105 44.012 45.100 0.028 0.000 0.961 350 G HN 0.108 nan 8.290 nan 0.000 0.616 351 Q N -0.937 118.889 119.800 0.043 0.000 2.345 351 Q HA 0.731 5.071 4.340 -0.000 0.000 0.275 351 Q C -0.462 175.586 176.000 0.080 0.000 1.063 351 Q CA -0.688 55.150 55.803 0.060 0.000 0.819 351 Q CB 2.271 31.052 28.738 0.071 0.000 1.356 351 Q HN 0.694 nan 8.270 nan 0.000 0.418 352 I N 2.269 122.888 120.570 0.082 0.000 2.291 352 I HA 0.298 4.468 4.170 -0.000 0.000 0.290 352 I C -0.912 175.287 176.117 0.136 0.000 1.050 352 I CA -0.582 60.773 61.300 0.091 0.000 1.245 352 I CB 0.336 38.366 38.000 0.050 0.000 1.405 352 I HN 0.533 nan 8.210 nan 0.000 0.478 353 F N 8.093 128.053 119.950 0.017 0.000 2.404 353 F HA 0.471 4.997 4.527 -0.000 0.000 0.358 353 F C -0.521 175.295 175.800 0.027 0.000 1.120 353 F CA -0.519 57.491 58.000 0.016 0.000 1.144 353 F CB 0.573 39.581 39.000 0.014 0.000 1.133 353 F HN 0.223 nan 8.300 nan 0.000 0.495 354 L N 5.918 126.803 121.223 -0.563 0.000 2.276 354 L HA 0.335 4.675 4.340 -0.000 0.000 0.286 354 L C -0.079 176.278 176.870 -0.855 0.000 1.061 354 L CA -0.263 54.284 54.840 -0.488 0.000 0.807 354 L CB 1.158 43.058 42.059 -0.265 0.000 1.177 354 L HN 0.578 nan 8.230 nan 0.000 0.429 355 E N 1.929 121.856 120.200 -0.455 0.000 2.109 355 E HA 0.314 4.664 4.350 -0.000 0.000 0.278 355 E C 0.692 177.246 176.600 -0.076 0.000 0.954 355 E CA -0.244 55.981 56.400 -0.291 0.000 0.779 355 E CB 1.679 31.395 29.700 0.027 0.000 1.093 355 E HN 0.743 nan 8.360 nan 0.000 0.401 356 A N 4.624 127.395 122.820 -0.082 0.000 1.971 356 A HA -0.266 4.054 4.320 -0.000 0.000 0.222 356 A C 1.841 179.493 177.584 0.114 0.000 1.182 356 A CA 1.745 53.783 52.037 0.001 0.000 0.649 356 A CB -0.280 18.705 19.000 -0.026 0.000 0.818 356 A HN 0.796 nan 8.150 nan 0.000 0.458 357 E N -0.674 119.579 120.200 0.088 0.000 2.158 357 E HA -0.051 4.299 4.350 -0.000 0.000 0.191 357 E C 1.979 178.671 176.600 0.155 0.000 0.982 357 E CA 0.638 57.098 56.400 0.100 0.000 0.823 357 E CB -0.106 29.631 29.700 0.061 0.000 0.766 357 E HN 0.709 nan 8.360 nan 0.000 0.468 358 L N -0.130 121.178 121.223 0.141 0.000 2.044 358 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 358 L C 2.357 179.324 176.870 0.162 0.000 1.075 358 L CA 0.789 55.708 54.840 0.131 0.000 0.747 358 L CB -0.572 41.549 42.059 0.102 0.000 0.903 358 L HN 0.117 nan 8.230 nan 0.000 0.435 359 F N 0.513 120.489 119.950 0.042 0.000 2.008 359 F HA -0.413 4.114 4.527 -0.000 0.000 0.297 359 F C 2.723 178.578 175.800 0.093 0.000 1.156 359 F CA 2.258 60.284 58.000 0.044 0.000 1.191 359 F CB -0.803 38.211 39.000 0.025 0.000 0.955 359 F HN 0.028 nan 8.300 nan 0.000 0.497 360 Y N 0.945 121.401 120.300 0.259 0.000 2.228 360 Y HA -0.270 4.280 4.550 -0.000 0.000 0.285 360 Y C 2.003 177.918 175.900 0.025 0.000 1.178 360 Y CA 1.910 60.093 58.100 0.137 0.000 1.202 360 Y CB -0.468 38.081 38.460 0.149 0.000 0.974 360 Y HN 0.081 nan 8.280 nan 0.000 0.527 361 K N 0.153 120.691 120.400 0.230 0.000 2.611 361 K HA 0.057 4.377 4.320 -0.000 0.000 0.193 361 K C 1.356 177.936 176.600 -0.034 0.000 1.026 361 K CA 0.592 56.937 56.287 0.097 0.000 1.063 361 K CB -0.492 32.088 32.500 0.135 0.000 0.839 361 K HN 0.679 nan 8.250 nan 0.000 0.505 362 G N 1.396 110.123 108.800 -0.123 0.000 2.234 362 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 362 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 362 G C 0.271 175.089 174.900 -0.138 0.000 0.987 362 G CA -0.044 44.961 45.100 -0.159 0.000 0.625 362 G HN 0.321 nan 8.290 nan 0.000 0.532 363 I N 2.220 122.740 120.570 -0.082 0.000 2.406 363 I HA 0.318 4.487 4.170 -0.000 0.000 0.293 363 I C 0.690 176.757 176.117 -0.083 0.000 1.101 363 I CA 0.167 61.439 61.300 -0.047 0.000 1.334 363 I CB 0.154 38.164 38.000 0.017 0.000 1.421 363 I HN 0.112 nan 8.210 nan 0.000 0.513 364 R N 6.277 126.714 120.500 -0.104 0.000 2.574 364 R HA 0.458 4.798 4.340 -0.000 0.000 0.288 364 R C -2.774 173.499 176.300 -0.046 0.000 1.004 364 R CA -2.080 53.959 56.100 -0.101 0.000 0.895 364 R CB 1.519 31.673 30.300 -0.244 0.000 1.191 364 R HN 0.178 nan 8.270 nan 0.000 0.444 365 P HA -0.094 nan 4.420 nan 0.000 0.267 365 P C -0.313 177.017 177.300 0.050 0.000 1.195 365 P CA 0.233 63.351 63.100 0.030 0.000 0.773 365 P CB 0.568 32.284 31.700 0.027 0.000 0.837 366 A N 3.407 126.286 122.820 0.098 0.000 3.282 366 A HA 0.263 4.582 4.320 -0.000 0.000 0.287 366 A C 0.374 177.982 177.584 0.040 0.000 1.366 366 A CA -0.382 51.713 52.037 0.097 0.000 1.069 366 A CB -1.111 18.011 19.000 0.204 0.000 1.109 366 A HN 0.442 nan 8.150 nan 0.000 0.638 367 I N 1.255 121.853 120.570 0.047 0.000 2.452 367 I HA 0.024 4.194 4.170 -0.000 0.000 0.287 367 I C 0.459 176.628 176.117 0.087 0.000 1.079 367 I CA -0.392 60.940 61.300 0.054 0.000 1.387 367 I CB 0.507 38.542 38.000 0.058 0.000 1.404 367 I HN 0.341 nan 8.210 nan 0.000 0.522 368 N N 6.926 125.705 118.700 0.133 0.000 2.466 368 N HA 0.035 4.775 4.740 -0.000 0.000 0.263 368 N C 0.905 176.499 175.510 0.139 0.000 1.178 368 N CA 0.019 53.175 53.050 0.177 0.000 0.983 368 N CB 1.062 39.752 38.487 0.339 0.000 1.331 368 N HN 0.453 nan 8.380 nan 0.000 0.500 369 V N 3.275 123.251 119.914 0.103 0.000 2.380 369 V HA -0.208 3.912 4.120 -0.000 0.000 0.251 369 V C 2.394 178.532 176.094 0.073 0.000 1.063 369 V CA 2.218 64.570 62.300 0.086 0.000 1.055 369 V CB -0.946 30.925 31.823 0.082 0.000 0.657 369 V HN 0.682 nan 8.190 nan 0.000 0.455 370 G N -0.560 108.279 108.800 0.065 0.000 2.402 370 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.216 370 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.216 370 G C 1.479 176.400 174.900 0.036 0.000 1.162 370 G CA 0.645 45.770 45.100 0.041 0.000 0.777 370 G HN 0.489 nan 8.290 nan 0.000 0.539 371 L N 1.246 122.502 121.223 0.055 0.000 2.591 371 L HA 0.278 4.618 4.340 -0.000 0.000 0.228 371 L C 0.502 177.411 176.870 0.064 0.000 1.133 371 L CA 0.060 54.916 54.840 0.027 0.000 0.880 371 L CB 0.379 42.428 42.059 -0.016 0.000 1.033 371 L HN 0.032 nan 8.230 nan 0.000 0.450 372 S N -1.373 114.380 115.700 0.089 0.000 2.549 372 S HA 0.698 5.168 4.470 -0.000 0.000 0.297 372 S C -0.621 174.014 174.600 0.059 0.000 1.115 372 S CA -0.590 57.664 58.200 0.090 0.000 1.059 372 S CB 2.723 65.983 63.200 0.101 0.000 1.046 372 S HN -0.094 nan 8.310 nan 0.000 0.506 373 V N 0.946 120.891 119.914 0.051 0.000 3.204 373 V HA 0.735 4.855 4.120 -0.000 0.000 0.298 373 V C -1.288 174.827 176.094 0.035 0.000 1.328 373 V CA -0.514 61.810 62.300 0.039 0.000 1.035 373 V CB 2.566 34.407 31.823 0.031 0.000 1.095 373 V HN 0.898 nan 8.190 nan 0.000 0.442 374 S N 3.730 119.447 115.700 0.029 0.000 2.478 374 S HA 0.552 5.022 4.470 -0.000 0.000 0.312 374 S C 0.631 175.244 174.600 0.022 0.000 1.094 374 S CA -0.612 57.602 58.200 0.024 0.000 1.081 374 S CB 1.547 64.758 63.200 0.019 0.000 1.007 374 S HN 0.737 nan 8.310 nan 0.000 0.475 375 R N 2.488 123.001 120.500 0.021 0.000 2.075 375 R HA 0.034 4.374 4.340 -0.000 0.000 0.226 375 R C 1.602 177.913 176.300 0.019 0.000 1.114 375 R CA 1.541 57.653 56.100 0.020 0.000 0.972 375 R CB -0.289 30.024 30.300 0.021 0.000 0.869 375 R HN 0.646 nan 8.270 nan 0.000 0.437 376 V N -3.670 116.254 119.914 0.017 0.000 3.528 376 V HA 0.381 4.501 4.120 -0.000 0.000 0.294 376 V C 1.523 177.624 176.094 0.012 0.000 1.404 376 V CA 0.666 62.976 62.300 0.016 0.000 1.065 376 V CB 0.680 32.514 31.823 0.018 0.000 0.904 376 V HN 0.212 nan 8.190 nan 0.000 0.435 377 G N 0.319 109.124 108.800 0.008 0.000 2.511 377 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 377 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 377 G C 1.556 176.456 174.900 0.001 0.000 1.133 377 G CA 1.050 46.150 45.100 -0.000 0.000 0.792 377 G HN 0.493 nan 8.290 nan 0.000 0.539 378 S N 0.642 116.348 115.700 0.010 0.000 2.383 378 S HA -0.054 4.416 4.470 -0.000 0.000 0.229 378 S C 2.607 177.215 174.600 0.013 0.000 1.030 378 S CA 1.594 59.802 58.200 0.013 0.000 1.002 378 S CB -0.291 62.919 63.200 0.017 0.000 0.829 378 S HN 0.516 nan 8.310 nan 0.000 0.467 379 A N 0.070 122.900 122.820 0.017 0.000 2.119 379 A HA 0.447 4.767 4.320 -0.000 0.000 0.216 379 A C 2.126 179.726 177.584 0.027 0.000 1.152 379 A CA 1.285 53.338 52.037 0.027 0.000 0.708 379 A CB -0.598 18.424 19.000 0.037 0.000 0.805 379 A HN 0.611 nan 8.150 nan 0.000 0.460 380 A N -0.966 121.854 122.820 -0.000 0.000 1.984 380 A HA 0.134 4.454 4.320 -0.000 0.000 0.214 380 A C 1.307 178.861 177.584 -0.051 0.000 1.173 380 A CA 0.441 52.454 52.037 -0.040 0.000 0.673 380 A CB -0.349 18.608 19.000 -0.071 0.000 0.830 380 A HN 0.584 nan 8.150 nan 0.000 0.453 381 Q N 0.611 120.395 119.800 -0.028 0.000 2.354 381 Q HA 0.154 4.494 4.340 -0.000 0.000 0.310 381 Q C -0.620 175.368 176.000 -0.020 0.000 1.104 381 Q CA -0.089 55.701 55.803 -0.022 0.000 0.968 381 Q CB 0.447 29.184 28.738 -0.002 0.000 1.251 381 Q HN 0.249 nan 8.270 nan 0.000 0.411 382 V N 5.801 125.703 119.914 -0.020 0.000 2.493 382 V HA -0.117 4.003 4.120 -0.000 0.000 0.292 382 V C 1.353 177.453 176.094 0.009 0.000 1.016 382 V CA 0.558 62.853 62.300 -0.008 0.000 1.097 382 V CB 0.522 32.347 31.823 0.002 0.000 0.947 382 V HN 0.890 nan 8.190 nan 0.000 0.479 383 K N 3.924 124.330 120.400 0.011 0.000 2.113 383 K HA -0.241 4.079 4.320 -0.000 0.000 0.208 383 K C 2.119 178.736 176.600 0.027 0.000 1.047 383 K CA 1.671 57.969 56.287 0.019 0.000 0.928 383 K CB -0.159 32.352 32.500 0.018 0.000 0.716 383 K HN 0.846 nan 8.250 nan 0.000 0.446 384 A N 1.054 123.890 122.820 0.027 0.000 2.015 384 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 384 A C 2.012 179.625 177.584 0.048 0.000 1.163 384 A CA 0.967 53.024 52.037 0.034 0.000 0.646 384 A CB -0.322 18.694 19.000 0.026 0.000 0.806 384 A HN 0.237 nan 8.150 nan 0.000 0.448 385 L N -1.113 120.136 121.223 0.043 0.000 2.068 385 L HA -0.107 4.233 4.340 -0.000 0.000 0.204 385 L C 2.541 179.441 176.870 0.050 0.000 1.076 385 L CA 1.764 56.635 54.840 0.051 0.000 0.753 385 L CB -0.310 41.775 42.059 0.043 0.000 0.910 385 L HN 0.459 nan 8.230 nan 0.000 0.439 386 K N -0.051 120.372 120.400 0.039 0.000 2.034 386 K HA -0.299 4.020 4.320 -0.000 0.000 0.214 386 K C 2.044 178.669 176.600 0.042 0.000 1.051 386 K CA 2.058 58.366 56.287 0.035 0.000 0.931 386 K CB -0.111 32.406 32.500 0.028 0.000 0.715 386 K HN 0.293 nan 8.250 nan 0.000 0.446 387 Q N -0.609 119.219 119.800 0.047 0.000 2.181 387 Q HA -0.144 4.196 4.340 -0.000 0.000 0.205 387 Q C 1.847 177.890 176.000 0.071 0.000 0.980 387 Q CA 1.554 57.390 55.803 0.055 0.000 0.862 387 Q CB 0.199 28.972 28.738 0.058 0.000 0.905 387 Q HN 0.183 nan 8.270 nan 0.000 0.429 388 V N -0.859 119.107 119.914 0.087 0.000 3.307 388 V HA 0.133 4.253 4.120 -0.000 0.000 0.253 388 V C 0.603 176.731 176.094 0.055 0.000 1.149 388 V CA 0.816 63.182 62.300 0.109 0.000 1.112 388 V CB 0.752 32.691 31.823 0.192 0.000 0.777 388 V HN 0.169 nan 8.190 nan 0.000 0.464 389 A N 0.795 123.644 122.820 0.049 0.000 3.158 389 A HA 0.699 5.019 4.320 -0.000 0.000 0.319 389 A C 0.458 178.061 177.584 0.031 0.000 1.204 389 A CA 0.161 52.219 52.037 0.036 0.000 0.992 389 A CB -0.390 18.637 19.000 0.045 0.000 1.110 389 A HN 0.377 nan 8.150 nan 0.000 0.519 390 G N -0.901 107.910 108.800 0.018 0.000 2.452 390 G HA2 0.507 4.466 3.960 -0.000 0.000 0.324 390 G HA3 0.507 4.466 3.960 -0.000 0.000 0.324 390 G C 0.491 175.398 174.900 0.012 0.000 1.214 390 G CA 0.189 45.300 45.100 0.019 0.000 0.947 390 G HN 1.073 nan 8.290 nan 0.000 0.478 391 S N 0.040 115.760 115.700 0.034 0.000 2.608 391 S HA -0.279 4.191 4.470 -0.000 0.000 0.256 391 S C 1.600 176.263 174.600 0.105 0.000 1.270 391 S CA 1.059 59.294 58.200 0.058 0.000 1.465 391 S CB -1.345 61.869 63.200 0.022 0.000 1.833 391 S HN 1.068 nan 8.310 nan 0.000 0.641 392 L N 2.081 123.349 121.223 0.075 0.000 2.042 392 L HA 0.068 4.408 4.340 -0.000 0.000 0.210 392 L C 2.107 179.069 176.870 0.154 0.000 1.076 392 L CA 2.789 57.694 54.840 0.109 0.000 0.749 392 L CB -0.530 41.567 42.059 0.064 0.000 0.893 392 L HN 0.450 nan 8.230 nan 0.000 0.432 393 K N -0.986 119.480 120.400 0.111 0.000 2.044 393 K HA -0.095 4.225 4.320 -0.000 0.000 0.204 393 K C 2.142 178.805 176.600 0.104 0.000 1.049 393 K CA 1.343 57.689 56.287 0.098 0.000 0.945 393 K CB -0.197 32.346 32.500 0.071 0.000 0.724 393 K HN 0.331 nan 8.250 nan 0.000 0.440 394 L N 0.439 121.727 121.223 0.108 0.000 2.042 394 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 394 L C 2.260 179.214 176.870 0.141 0.000 1.076 394 L CA 1.343 56.246 54.840 0.104 0.000 0.749 394 L CB -0.483 41.633 42.059 0.095 0.000 0.893 394 L HN 0.207 nan 8.230 nan 0.000 0.432 395 F N 0.191 120.160 119.950 0.033 0.000 2.026 395 F HA -0.267 4.260 4.527 -0.000 0.000 0.296 395 F C 2.215 178.065 175.800 0.084 0.000 1.133 395 F CA 1.646 59.671 58.000 0.042 0.000 1.188 395 F CB -0.543 38.465 39.000 0.012 0.000 0.968 395 F HN -0.144 nan 8.300 nan 0.000 0.476 396 L N 0.297 121.562 121.223 0.069 0.000 1.976 396 L HA -0.351 3.989 4.340 -0.000 0.000 0.223 396 L C 2.763 179.646 176.870 0.023 0.000 1.081 396 L CA 1.844 56.697 54.840 0.023 0.000 0.784 396 L CB -1.392 40.733 42.059 0.110 0.000 0.896 396 L HN 0.314 nan 8.230 nan 0.000 0.438 397 A N -1.223 121.614 122.820 0.029 0.000 2.032 397 A HA -0.274 4.046 4.320 -0.000 0.000 0.221 397 A C 2.183 179.745 177.584 -0.038 0.000 1.165 397 A CA 1.873 53.915 52.037 0.009 0.000 0.645 397 A CB -0.487 18.526 19.000 0.022 0.000 0.807 397 A HN 0.579 nan 8.150 nan 0.000 0.453 398 Q N -2.225 117.538 119.800 -0.063 0.000 2.137 398 Q HA -0.136 4.204 4.340 -0.000 0.000 0.198 398 Q C 1.977 177.886 176.000 -0.151 0.000 0.960 398 Q CA 1.484 57.231 55.803 -0.092 0.000 0.847 398 Q CB -0.297 28.400 28.738 -0.069 0.000 0.915 398 Q HN 0.910 nan 8.270 nan 0.000 0.448 399 Y N 2.047 122.121 120.300 -0.376 0.000 2.165 399 Y HA -0.268 4.282 4.550 -0.000 0.000 0.286 399 Y C 1.930 177.714 175.900 -0.192 0.000 1.155 399 Y CA 2.025 59.899 58.100 -0.378 0.000 1.164 399 Y CB -0.117 38.003 38.460 -0.568 0.000 0.978 399 Y HN -0.021 nan 8.280 nan 0.000 0.513 400 R N 0.120 120.318 120.500 -0.503 0.000 2.189 400 R HA -0.104 4.236 4.340 -0.000 0.000 0.223 400 R C 1.838 177.952 176.300 -0.310 0.000 1.092 400 R CA 1.394 57.194 56.100 -0.499 0.000 0.989 400 R CB -0.533 29.638 30.300 -0.216 0.000 0.876 400 R HN 0.366 nan 8.270 nan 0.000 0.457 401 E N 1.468 121.536 120.200 -0.220 0.000 2.046 401 E HA -0.079 4.271 4.350 -0.000 0.000 0.190 401 E C 1.838 178.343 176.600 -0.158 0.000 0.982 401 E CA 1.266 57.578 56.400 -0.148 0.000 0.800 401 E CB -0.117 29.525 29.700 -0.097 0.000 0.756 401 E HN 0.141 nan 8.360 nan 0.000 0.449 402 V N 1.096 120.901 119.914 -0.182 0.000 2.407 402 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 402 V C 2.246 178.224 176.094 -0.194 0.000 1.055 402 V CA 1.736 63.947 62.300 -0.148 0.000 1.049 402 V CB -0.915 30.849 31.823 -0.099 0.000 0.662 402 V HN 0.440 nan 8.190 nan 0.000 0.455 403 A N -0.879 121.719 122.820 -0.370 0.000 2.255 403 A HA 0.342 4.662 4.320 -0.000 0.000 0.206 403 A C 1.977 179.430 177.584 -0.218 0.000 1.193 403 A CA 1.346 53.160 52.037 -0.371 0.000 0.794 403 A CB -0.363 18.189 19.000 -0.746 0.000 0.794 403 A HN 0.560 nan 8.150 nan 0.000 0.481 404 A N -1.777 120.942 122.820 -0.168 0.000 2.074 404 A HA 0.280 4.600 4.320 -0.000 0.000 0.200 404 A C 1.903 179.442 177.584 -0.075 0.000 1.335 404 A CA 0.927 52.901 52.037 -0.105 0.000 0.922 404 A CB -0.108 18.836 19.000 -0.094 0.000 0.972 404 A HN 0.304 nan 8.150 nan 0.000 0.475 405 S N 0.299 115.952 115.700 -0.078 0.000 2.603 405 S HA 0.387 4.857 4.470 -0.000 0.000 0.220 405 S C 0.730 175.305 174.600 -0.041 0.000 0.967 405 S CA 0.634 58.802 58.200 -0.053 0.000 0.920 405 S CB 0.045 63.215 63.200 -0.051 0.000 0.773 405 S HN 0.739 nan 8.310 nan 0.000 0.529 406 A N 1.626 124.420 122.820 -0.044 0.000 2.709 406 A HA 0.643 4.963 4.320 -0.000 0.000 0.332 406 A C -0.055 177.515 177.584 -0.023 0.000 1.241 406 A CA -0.544 51.476 52.037 -0.028 0.000 0.782 406 A CB 0.710 19.697 19.000 -0.022 0.000 1.109 406 A HN 0.214 nan 8.150 nan 0.000 0.472 412 L N 1.639 122.864 121.223 0.002 0.000 2.294 412 L HA 0.459 4.799 4.340 -0.000 0.000 0.283 412 L C -0.572 176.302 176.870 0.006 0.000 1.015 412 L CA -0.698 54.145 54.840 0.005 0.000 0.831 412 L CB 1.390 43.452 42.059 0.006 0.000 1.217 412 L HN 0.354 nan 8.230 nan 0.000 0.420 413 D N 2.003 122.408 120.400 0.007 0.000 2.339 413 D HA 0.332 4.972 4.640 -0.000 0.000 0.241 413 D C 0.930 177.237 176.300 0.012 0.000 1.183 413 D CA 0.114 54.119 54.000 0.009 0.000 0.859 413 D CB 1.865 42.671 40.800 0.010 0.000 1.067 413 D HN 0.591 nan 8.370 nan 0.000 0.484 414 A N 2.946 125.772 122.820 0.009 0.000 1.908 414 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 414 A C 2.208 179.800 177.584 0.012 0.000 1.181 414 A CA 1.760 53.803 52.037 0.009 0.000 0.627 414 A CB -0.739 18.264 19.000 0.005 0.000 0.818 414 A HN 0.566 nan 8.150 nan 0.000 0.445 415 S N -0.507 115.200 115.700 0.013 0.000 2.359 415 S HA -0.196 4.274 4.470 -0.000 0.000 0.223 415 S C 2.044 176.661 174.600 0.027 0.000 1.039 415 S CA 2.700 60.910 58.200 0.016 0.000 1.042 415 S CB -0.624 62.584 63.200 0.015 0.000 0.915 415 S HN 0.849 nan 8.310 nan 0.000 0.439 416 T N -1.625 112.948 114.554 0.032 0.000 3.081 416 T HA 0.268 4.618 4.350 -0.000 0.000 0.250 416 T C 1.521 176.255 174.700 0.057 0.000 1.100 416 T CA 0.494 62.623 62.100 0.048 0.000 1.038 416 T CB -0.113 68.779 68.868 0.039 0.000 0.962 416 T HN 0.426 nan 8.240 nan 0.000 0.516 417 K N 1.112 121.538 120.400 0.042 0.000 2.209 417 K HA -0.115 4.204 4.320 -0.000 0.000 0.204 417 K C 2.419 179.049 176.600 0.050 0.000 1.048 417 K CA 1.013 57.326 56.287 0.044 0.000 0.940 417 K CB -0.143 32.373 32.500 0.027 0.000 0.729 417 K HN 0.516 nan 8.250 nan 0.000 0.451 418 Q N 0.171 119.998 119.800 0.045 0.000 2.119 418 Q HA -0.145 4.195 4.340 -0.000 0.000 0.201 418 Q C 1.801 177.851 176.000 0.083 0.000 0.972 418 Q CA 1.991 57.818 55.803 0.040 0.000 0.847 418 Q CB -0.051 28.700 28.738 0.021 0.000 0.903 418 Q HN 0.485 nan 8.270 nan 0.000 0.433 419 T N -1.240 113.396 114.554 0.135 0.000 2.904 419 T HA -0.110 4.240 4.350 -0.000 0.000 0.267 419 T C 1.707 176.527 174.700 0.201 0.000 1.059 419 T CA 0.767 63.019 62.100 0.253 0.000 1.137 419 T CB -0.198 68.820 68.868 0.250 0.000 0.879 419 T HN 0.262 nan 8.240 nan 0.000 0.467 420 L N 0.717 122.043 121.223 0.171 0.000 2.376 420 L HA 0.195 4.535 4.340 -0.000 0.000 0.219 420 L C 2.350 179.281 176.870 0.102 0.000 1.133 420 L CA 0.715 55.688 54.840 0.222 0.000 0.816 420 L CB -0.170 41.986 42.059 0.163 0.000 0.933 420 L HN 0.173 nan 8.230 nan 0.000 0.449 421 V N -1.206 118.738 119.914 0.050 0.000 2.326 421 V HA -0.104 4.016 4.120 -0.000 0.000 0.238 421 V C 2.576 178.642 176.094 -0.046 0.000 1.038 421 V CA 1.023 63.321 62.300 -0.002 0.000 1.032 421 V CB -0.434 31.386 31.823 -0.006 0.000 0.675 421 V HN 0.316 nan 8.190 nan 0.000 0.467 422 R N 0.461 120.958 120.500 -0.004 0.000 2.112 422 R HA -0.205 4.135 4.340 -0.000 0.000 0.242 422 R C 2.394 178.669 176.300 -0.042 0.000 1.137 422 R CA 1.929 58.027 56.100 -0.004 0.000 0.944 422 R CB -1.387 28.938 30.300 0.042 0.000 0.857 422 R HN 0.591 nan 8.270 nan 0.000 0.435 423 G N 1.094 109.798 108.800 -0.160 0.000 2.513 423 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.219 423 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.219 423 G C 1.305 175.677 174.900 -0.880 0.000 1.160 423 G CA 0.988 45.511 45.100 -0.963 0.000 0.767 423 G HN 0.427 nan 8.290 nan 0.000 0.571 424 E N -0.260 119.632 120.200 -0.514 0.000 2.106 424 E HA -0.068 4.281 4.350 -0.000 0.000 0.192 424 E C 2.866 179.393 176.600 -0.123 0.000 0.984 424 E CA 0.302 56.589 56.400 -0.187 0.000 0.806 424 E CB 0.020 29.700 29.700 -0.034 0.000 0.750 424 E HN 0.165 nan 8.360 nan 0.000 0.458 425 R N 0.385 120.809 120.500 -0.126 0.000 2.092 425 R HA -0.059 4.281 4.340 -0.000 0.000 0.231 425 R C 2.306 178.551 176.300 -0.091 0.000 1.119 425 R CA 0.750 56.787 56.100 -0.105 0.000 0.970 425 R CB -0.629 29.599 30.300 -0.120 0.000 0.864 425 R HN 0.238 nan 8.270 nan 0.000 0.440 426 L N 0.142 121.307 121.223 -0.096 0.000 2.395 426 L HA -0.040 4.300 4.340 -0.000 0.000 0.218 426 L C 1.975 178.826 176.870 -0.032 0.000 1.130 426 L CA 0.911 55.722 54.840 -0.049 0.000 0.826 426 L CB -0.209 41.852 42.059 0.002 0.000 0.941 426 L HN 0.117 nan 8.230 nan 0.000 0.451 427 T N -1.730 112.791 114.554 -0.055 0.000 2.939 427 T HA -0.091 4.259 4.350 -0.000 0.000 0.254 427 T C 1.893 176.598 174.700 0.009 0.000 1.041 427 T CA 0.614 62.713 62.100 -0.002 0.000 1.142 427 T CB 0.061 68.946 68.868 0.030 0.000 0.874 427 T HN 0.204 nan 8.240 nan 0.000 0.452 428 Q N 0.677 120.474 119.800 -0.005 0.000 2.124 428 Q HA -0.010 4.330 4.340 -0.000 0.000 0.202 428 Q C 2.269 178.276 176.000 0.012 0.000 0.977 428 Q CA 0.959 56.763 55.803 0.002 0.000 0.850 428 Q CB -0.485 28.250 28.738 -0.006 0.000 0.901 428 Q HN 0.366 nan 8.270 nan 0.000 0.429 429 L N 0.116 121.342 121.223 0.006 0.000 2.456 429 L HA -0.062 4.278 4.340 -0.000 0.000 0.224 429 L C 1.667 178.560 176.870 0.039 0.000 1.148 429 L CA 1.039 55.895 54.840 0.027 0.000 0.825 429 L CB -0.028 42.039 42.059 0.012 0.000 0.937 429 L HN 0.103 nan 8.230 nan 0.000 0.450 430 L N -1.267 119.974 121.223 0.031 0.000 2.590 430 L HA 0.120 4.459 4.340 -0.000 0.000 0.227 430 L C 0.866 177.753 176.870 0.028 0.000 1.099 430 L CA -0.172 54.689 54.840 0.035 0.000 0.872 430 L CB -0.112 41.971 42.059 0.039 0.000 1.088 430 L HN 0.036 nan 8.230 nan 0.000 0.479 431 K N 1.555 121.967 120.400 0.021 0.000 2.436 431 K HA 0.124 4.443 4.320 -0.000 0.000 0.275 431 K C -0.182 176.424 176.600 0.010 0.000 0.999 431 K CA 0.528 56.819 56.287 0.007 0.000 0.980 431 K CB 0.627 33.127 32.500 -0.001 0.000 0.919 431 K HN 0.029 nan 8.250 nan 0.000 0.484 432 Q N 1.944 121.741 119.800 -0.005 0.000 2.353 432 Q HA 0.186 4.525 4.340 -0.000 0.000 0.275 432 Q C -1.325 174.660 176.000 -0.024 0.000 1.029 432 Q CA -0.846 54.956 55.803 -0.002 0.000 0.848 432 Q CB 1.567 30.308 28.738 0.005 0.000 1.390 432 Q HN 0.488 nan 8.270 nan 0.000 0.401 433 N N 1.910 120.601 118.700 -0.015 0.000 2.482 433 N HA 0.063 4.803 4.740 -0.000 0.000 0.260 433 N C -0.643 174.832 175.510 -0.058 0.000 1.236 433 N CA 0.002 53.036 53.050 -0.027 0.000 0.938 433 N CB 0.784 39.277 38.487 0.010 0.000 1.128 433 N HN 0.537 nan 8.380 nan 0.000 0.448 434 Q N 0.289 120.013 119.800 -0.127 0.000 2.417 434 Q HA 0.016 4.356 4.340 -0.000 0.000 0.241 434 Q C -0.361 175.518 176.000 -0.202 0.000 1.008 434 Q CA -0.111 55.493 55.803 -0.331 0.000 0.901 434 Q CB 0.259 28.619 28.738 -0.630 0.000 1.259 434 Q HN 0.584 nan 8.270 nan 0.000 0.489 435 Y N -0.529 119.769 120.300 -0.002 0.000 4.324 435 Y HA -0.256 4.294 4.550 -0.000 0.000 0.224 435 Y C 0.179 176.105 175.900 0.042 0.000 1.113 435 Y CA 0.868 58.970 58.100 0.003 0.000 1.887 435 Y CB -2.163 36.326 38.460 0.050 0.000 1.602 435 Y HN 0.360 nan 8.280 nan 0.000 0.654 436 S N 0.006 115.769 115.700 0.105 0.000 2.457 436 S HA 0.333 4.803 4.470 -0.000 0.000 0.237 436 S C -2.408 172.224 174.600 0.053 0.000 1.213 436 S CA -0.828 57.420 58.200 0.080 0.000 1.218 436 S CB 0.489 63.723 63.200 0.056 0.000 0.922 436 S HN 0.045 nan 8.310 nan 0.000 0.488 437 P HA 0.292 nan 4.420 nan 0.000 0.281 437 P C -0.714 176.609 177.300 0.039 0.000 1.252 437 P CA -0.283 62.845 63.100 0.046 0.000 0.778 437 P CB 0.618 32.351 31.700 0.055 0.000 0.895 438 L N 2.341 123.588 121.223 0.040 0.000 2.307 438 L HA 0.578 4.918 4.340 -0.000 0.000 0.282 438 L C 0.869 177.765 176.870 0.043 0.000 1.051 438 L CA -0.917 53.942 54.840 0.032 0.000 0.804 438 L CB 1.132 43.213 42.059 0.036 0.000 1.197 438 L HN 0.374 nan 8.230 nan 0.000 0.431 439 A N 2.103 124.936 122.820 0.021 0.000 2.466 439 A HA 0.200 4.520 4.320 -0.000 0.000 0.238 439 A C 1.305 178.925 177.584 0.061 0.000 1.074 439 A CA 0.043 52.103 52.037 0.039 0.000 0.774 439 A CB 0.157 19.148 19.000 -0.014 0.000 1.015 439 A HN 0.896 nan 8.150 nan 0.000 0.498 440 T N 1.149 115.761 114.554 0.096 0.000 2.665 440 T HA -0.180 4.169 4.350 -0.000 0.000 0.268 440 T C 1.612 176.341 174.700 0.048 0.000 1.035 440 T CA 1.811 63.957 62.100 0.076 0.000 1.151 440 T CB -0.284 68.635 68.868 0.085 0.000 0.862 440 T HN 0.894 nan 8.240 nan 0.000 0.438 441 E N 1.757 121.976 120.200 0.032 0.000 2.515 441 E HA -0.151 4.199 4.350 -0.000 0.000 0.201 441 E C 1.185 177.775 176.600 -0.016 0.000 1.071 441 E CA 0.941 57.343 56.400 0.003 0.000 0.880 441 E CB -0.205 29.488 29.700 -0.012 0.000 0.828 441 E HN 0.643 nan 8.360 nan 0.000 0.540 442 E N 0.339 120.537 120.200 -0.003 0.000 2.330 442 E HA 0.038 4.388 4.350 -0.000 0.000 0.200 442 E C 1.993 178.614 176.600 0.036 0.000 0.922 442 E CA 0.016 56.410 56.400 -0.011 0.000 0.935 442 E CB 0.157 29.844 29.700 -0.021 0.000 0.917 442 E HN 0.240 nan 8.360 nan 0.000 0.491 443 Q N 0.752 120.582 119.800 0.050 0.000 2.079 443 Q HA -0.118 4.222 4.340 -0.000 0.000 0.200 443 Q C 2.574 178.629 176.000 0.092 0.000 0.974 443 Q CA 1.669 57.516 55.803 0.072 0.000 0.840 443 Q CB -0.106 28.671 28.738 0.065 0.000 0.898 443 Q HN 0.244 nan 8.270 nan 0.000 0.430 444 V N 0.016 119.978 119.914 0.079 0.000 2.407 444 V HA -0.093 4.026 4.120 -0.000 0.000 0.248 444 V C -1.102 175.080 176.094 0.147 0.000 1.055 444 V CA 1.337 63.696 62.300 0.098 0.000 1.049 444 V CB -1.236 30.628 31.823 0.068 0.000 0.662 444 V HN 0.182 nan 8.190 nan 0.000 0.455 445 P HA 0.013 nan 4.420 nan 0.000 0.218 445 P C 2.052 179.584 177.300 0.387 0.000 1.152 445 P CA 1.359 64.603 63.100 0.240 0.000 0.826 445 P CB -0.093 31.697 31.700 0.150 0.000 0.790 446 L N -1.369 120.042 121.223 0.313 0.000 2.046 446 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 446 L C 2.343 179.329 176.870 0.193 0.000 1.077 446 L CA 1.456 56.471 54.840 0.292 0.000 0.747 446 L CB -0.830 41.361 42.059 0.220 0.000 0.896 446 L HN -0.085 nan 8.230 nan 0.000 0.432 447 I N -1.773 118.896 120.570 0.166 0.000 2.406 447 I HA -0.280 3.890 4.170 -0.000 0.000 0.249 447 I C 2.468 178.653 176.117 0.114 0.000 1.122 447 I CA 0.947 62.314 61.300 0.112 0.000 1.431 447 I CB -0.224 37.833 38.000 0.095 0.000 1.087 447 I HN 0.120 nan 8.210 nan 0.000 0.424 448 Y N 1.660 121.998 120.300 0.062 0.000 2.128 448 Y HA -0.361 4.189 4.550 -0.000 0.000 0.284 448 Y C 2.536 178.472 175.900 0.060 0.000 1.154 448 Y CA 1.754 59.889 58.100 0.057 0.000 1.149 448 Y CB -0.334 38.167 38.460 0.068 0.000 0.976 448 Y HN 0.144 nan 8.280 nan 0.000 0.505 449 A N -0.127 122.811 122.820 0.196 0.000 1.978 449 A HA -0.122 4.198 4.320 -0.000 0.000 0.220 449 A C 2.398 179.973 177.584 -0.016 0.000 1.170 449 A CA 1.801 53.871 52.037 0.056 0.000 0.636 449 A CB -1.623 17.338 19.000 -0.065 0.000 0.810 449 A HN 0.620 nan 8.150 nan 0.000 0.448 450 G N -0.788 107.992 108.800 -0.034 0.000 2.456 450 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.213 450 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.213 450 G C 1.494 176.319 174.900 -0.126 0.000 1.215 450 G CA 0.997 46.048 45.100 -0.081 0.000 0.805 450 G HN 0.267 nan 8.290 nan 0.000 0.537 451 V N 1.969 121.803 119.914 -0.132 0.000 2.392 451 V HA -0.163 3.957 4.120 -0.000 0.000 0.249 451 V C 1.931 177.870 176.094 -0.259 0.000 1.059 451 V CA 1.752 63.933 62.300 -0.199 0.000 1.051 451 V CB -0.382 31.344 31.823 -0.162 0.000 0.658 451 V HN 0.357 nan 8.190 nan 0.000 0.455 452 N N 0.031 118.566 118.700 -0.275 0.000 2.314 452 N HA 0.136 4.875 4.740 -0.000 0.000 0.200 452 N C 1.435 176.762 175.510 -0.304 0.000 1.135 452 N CA 0.906 53.776 53.050 -0.300 0.000 0.835 452 N CB 0.663 38.919 38.487 -0.386 0.000 0.989 452 N HN 0.573 nan 8.380 nan 0.000 0.478 453 G N 0.686 109.343 108.800 -0.238 0.000 2.168 453 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.257 453 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.257 453 G C 0.597 175.350 174.900 -0.243 0.000 0.997 453 G CA 0.568 45.528 45.100 -0.234 0.000 0.708 453 G HN 0.509 nan 8.290 nan 0.000 0.520 454 H N -0.660 118.308 119.070 -0.169 0.000 2.543 454 H HA 0.193 4.749 4.556 -0.000 0.000 0.286 454 H C 2.538 177.740 175.328 -0.209 0.000 1.037 454 H CA 1.518 57.479 56.048 -0.146 0.000 1.250 454 H CB 0.064 29.762 29.762 -0.107 0.000 1.373 454 H HN 0.519 nan 8.280 nan 0.000 0.580 455 L N -0.483 120.636 121.223 -0.172 0.000 2.554 455 L HA 0.024 4.363 4.340 -0.000 0.000 0.225 455 L C 1.146 177.904 176.870 -0.187 0.000 1.104 455 L CA 0.007 54.679 54.840 -0.280 0.000 0.866 455 L CB 0.219 42.060 42.059 -0.364 0.000 1.047 455 L HN 0.087 nan 8.230 nan 0.000 0.468 456 D N 1.169 121.480 120.400 -0.148 0.000 2.315 456 D HA -0.139 4.501 4.640 -0.000 0.000 0.211 456 D C 1.916 178.162 176.300 -0.090 0.000 0.977 456 D CA 1.340 55.272 54.000 -0.114 0.000 0.894 456 D CB 0.007 40.740 40.800 -0.112 0.000 0.910 456 D HN 0.371 nan 8.370 nan 0.000 0.490 457 G N -0.823 107.923 108.800 -0.090 0.000 3.192 457 G HA2 0.222 4.182 3.960 -0.000 0.000 0.239 457 G HA3 0.222 4.182 3.960 -0.000 0.000 0.239 457 G C 0.508 175.372 174.900 -0.060 0.000 1.084 457 G CA -0.296 44.765 45.100 -0.064 0.000 0.784 457 G HN 0.143 nan 8.290 nan 0.000 0.540 458 I N 1.339 121.858 120.570 -0.086 0.000 2.396 458 I HA 0.206 4.376 4.170 -0.000 0.000 0.292 458 I C 0.382 176.465 176.117 -0.057 0.000 0.999 458 I CA -0.658 60.597 61.300 -0.074 0.000 1.310 458 I CB 1.537 39.458 38.000 -0.131 0.000 1.404 458 I HN 0.051 nan 8.210 nan 0.000 0.496 459 E N 3.036 123.220 120.200 -0.027 0.000 2.461 459 E HA -0.097 4.253 4.350 -0.000 0.000 0.263 459 E C 0.526 177.116 176.600 -0.018 0.000 1.143 459 E CA -0.278 56.112 56.400 -0.016 0.000 0.994 459 E CB 0.610 30.309 29.700 -0.001 0.000 0.973 459 E HN 0.401 nan 8.360 nan 0.000 0.457 460 L N 1.778 122.995 121.223 -0.011 0.000 2.095 460 L HA -0.100 4.240 4.340 -0.000 0.000 0.204 460 L C 1.956 178.827 176.870 0.001 0.000 1.080 460 L CA 1.812 56.645 54.840 -0.011 0.000 0.759 460 L CB -0.647 41.409 42.059 -0.005 0.000 0.914 460 L HN 0.545 nan 8.230 nan 0.000 0.439 461 S N -1.878 113.827 115.700 0.009 0.000 2.701 461 S HA 0.036 4.506 4.470 -0.000 0.000 0.220 461 S C 1.734 176.353 174.600 0.033 0.000 0.954 461 S CA -0.092 58.119 58.200 0.017 0.000 0.936 461 S CB -0.312 62.897 63.200 0.013 0.000 0.777 461 S HN 0.381 nan 8.310 nan 0.000 0.518 462 R N 0.178 120.702 120.500 0.040 0.000 2.397 462 R HA 0.348 4.688 4.340 -0.000 0.000 0.241 462 R C 1.132 177.505 176.300 0.121 0.000 0.914 462 R CA -0.084 56.061 56.100 0.075 0.000 1.071 462 R CB 0.056 30.399 30.300 0.070 0.000 1.116 462 R HN 0.334 nan 8.270 nan 0.000 0.524 463 I N 0.028 120.645 120.570 0.079 0.000 2.179 463 I HA -0.141 4.029 4.170 -0.000 0.000 0.242 463 I C 2.255 178.484 176.117 0.185 0.000 1.088 463 I CA 1.738 63.093 61.300 0.092 0.000 1.357 463 I CB -1.309 36.697 38.000 0.010 0.000 1.051 463 I HN 0.250 nan 8.210 nan 0.000 0.409 464 G N 0.513 109.389 108.800 0.126 0.000 2.421 464 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.216 464 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.216 464 G C 1.576 176.562 174.900 0.144 0.000 1.171 464 G CA 0.883 46.056 45.100 0.121 0.000 0.775 464 G HN 0.519 nan 8.290 nan 0.000 0.543 465 E N -0.369 119.913 120.200 0.137 0.000 2.097 465 E HA -0.245 4.105 4.350 -0.000 0.000 0.196 465 E C 2.073 178.794 176.600 0.202 0.000 1.000 465 E CA 1.290 57.774 56.400 0.141 0.000 0.804 465 E CB -0.349 29.424 29.700 0.122 0.000 0.740 465 E HN 0.423 nan 8.360 nan 0.000 0.454 466 F N 1.843 121.863 119.950 0.117 0.000 2.102 466 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 466 F C 2.282 178.180 175.800 0.163 0.000 1.105 466 F CA 2.184 60.293 58.000 0.183 0.000 1.239 466 F CB -0.386 38.693 39.000 0.130 0.000 0.991 466 F HN 0.114 nan 8.300 nan 0.000 0.474 467 E N 0.313 120.700 120.200 0.312 0.000 2.031 467 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 467 E C 2.192 178.815 176.600 0.038 0.000 0.994 467 E CA 2.057 58.585 56.400 0.212 0.000 0.800 467 E CB -0.378 29.464 29.700 0.236 0.000 0.752 467 E HN 0.536 nan 8.360 nan 0.000 0.447 468 S N 0.069 115.794 115.700 0.042 0.000 2.368 468 S HA -0.109 4.361 4.470 -0.000 0.000 0.224 468 S C 2.288 176.867 174.600 -0.036 0.000 1.029 468 S CA 1.206 59.409 58.200 0.006 0.000 0.988 468 S CB -0.306 62.913 63.200 0.031 0.000 0.838 468 S HN 0.163 nan 8.310 nan 0.000 0.462 469 S N 1.425 117.113 115.700 -0.020 0.000 2.348 469 S HA 0.010 4.480 4.470 -0.000 0.000 0.221 469 S C 1.417 175.869 174.600 -0.246 0.000 1.033 469 S CA 1.263 59.473 58.200 0.016 0.000 1.010 469 S CB -0.674 62.667 63.200 0.235 0.000 0.891 469 S HN 0.553 nan 8.310 nan 0.000 0.442 470 F N 2.277 121.657 119.950 -0.951 0.000 2.154 470 F HA -0.112 4.415 4.527 -0.000 0.000 0.301 470 F C 1.760 177.222 175.800 -0.564 0.000 1.087 470 F CA 1.205 58.317 58.000 -1.480 0.000 1.274 470 F CB -0.489 37.570 39.000 -1.568 0.000 1.009 470 F HN 0.129 nan 8.300 nan 0.000 0.485 471 L N -0.914 120.039 121.223 -0.451 0.000 2.044 471 L HA -0.206 4.134 4.340 -0.000 0.000 0.205 471 L C 2.547 179.254 176.870 -0.272 0.000 1.075 471 L CA 1.372 55.985 54.840 -0.380 0.000 0.747 471 L CB -0.967 40.980 42.059 -0.186 0.000 0.903 471 L HN 0.044 nan 8.230 nan 0.000 0.435 472 S N -0.484 115.120 115.700 -0.160 0.000 2.359 472 S HA -0.305 4.165 4.470 -0.000 0.000 0.223 472 S C 1.872 176.424 174.600 -0.080 0.000 1.039 472 S CA 1.797 59.945 58.200 -0.087 0.000 1.042 472 S CB -0.749 62.439 63.200 -0.020 0.000 0.915 472 S HN 0.440 nan 8.310 nan 0.000 0.439 473 Y N 2.270 122.461 120.300 -0.180 0.000 2.181 473 Y HA -0.199 4.351 4.550 -0.000 0.000 0.284 473 Y C 1.875 177.690 175.900 -0.142 0.000 1.179 473 Y CA 1.341 59.376 58.100 -0.109 0.000 1.179 473 Y CB -0.507 37.920 38.460 -0.055 0.000 0.973 473 Y HN 0.156 nan 8.280 nan 0.000 0.519 474 L N -0.015 120.953 121.223 -0.425 0.000 2.072 474 L HA -0.193 4.146 4.340 -0.000 0.000 0.205 474 L C 2.505 179.195 176.870 -0.299 0.000 1.079 474 L CA 1.590 56.165 54.840 -0.441 0.000 0.752 474 L CB -0.455 41.303 42.059 -0.502 0.000 0.906 474 L HN 0.125 nan 8.230 nan 0.000 0.436 475 K N -0.437 119.820 120.400 -0.239 0.000 2.057 475 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 475 K C 2.221 178.721 176.600 -0.167 0.000 1.049 475 K CA 1.561 57.745 56.287 -0.172 0.000 0.931 475 K CB -0.148 32.272 32.500 -0.133 0.000 0.714 475 K HN 0.237 nan 8.250 nan 0.000 0.440 476 S N 1.858 117.452 115.700 -0.176 0.000 2.380 476 S HA -0.151 4.319 4.470 -0.000 0.000 0.217 476 S C 1.695 176.158 174.600 -0.229 0.000 1.036 476 S CA 1.881 59.984 58.200 -0.162 0.000 1.050 476 S CB -0.514 62.617 63.200 -0.115 0.000 1.016 476 S HN 0.335 nan 8.310 nan 0.000 0.419 477 N N 0.666 119.145 118.700 -0.369 0.000 2.182 477 N HA 0.025 4.765 4.740 -0.000 0.000 0.186 477 N C 1.214 176.411 175.510 -0.520 0.000 1.036 477 N CA 1.025 53.777 53.050 -0.496 0.000 0.850 477 N CB -0.311 37.738 38.487 -0.729 0.000 1.010 477 N HN 0.439 nan 8.380 nan 0.000 0.432 478 H N -0.205 118.662 119.070 -0.338 0.000 2.519 478 H HA 0.186 4.742 4.556 -0.000 0.000 0.289 478 H C 0.778 175.986 175.328 -0.198 0.000 1.040 478 H CA -0.069 55.833 56.048 -0.245 0.000 1.165 478 H CB -0.078 29.528 29.762 -0.261 0.000 1.462 478 H HN 0.311 nan 8.280 nan 0.000 0.555 479 N N 2.067 120.694 118.700 -0.122 0.000 2.144 479 N HA -0.240 4.500 4.740 -0.000 0.000 0.195 479 N C 1.489 176.952 175.510 -0.078 0.000 1.006 479 N CA 1.643 54.627 53.050 -0.109 0.000 0.880 479 N CB 0.078 38.498 38.487 -0.112 0.000 1.018 479 N HN 0.433 nan 8.380 nan 0.000 0.443 480 E N -0.419 119.743 120.200 -0.064 0.000 2.204 480 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 480 E C 1.878 178.454 176.600 -0.040 0.000 0.990 480 E CA 0.871 57.242 56.400 -0.047 0.000 0.821 480 E CB -0.084 29.592 29.700 -0.040 0.000 0.750 480 E HN 0.531 nan 8.360 nan 0.000 0.477 481 L N 0.500 121.699 121.223 -0.040 0.000 2.027 481 L HA -0.172 4.167 4.340 -0.000 0.000 0.206 481 L C 2.487 179.321 176.870 -0.061 0.000 1.074 481 L CA 0.941 55.750 54.840 -0.051 0.000 0.745 481 L CB -0.601 41.417 42.059 -0.069 0.000 0.898 481 L HN 0.184 nan 8.230 nan 0.000 0.433 482 L N -0.399 120.779 121.223 -0.074 0.000 2.127 482 L HA -0.185 4.155 4.340 -0.000 0.000 0.211 482 L C 2.648 179.487 176.870 -0.051 0.000 1.089 482 L CA 1.466 56.262 54.840 -0.072 0.000 0.757 482 L CB -1.206 40.796 42.059 -0.094 0.000 0.899 482 L HN 0.365 nan 8.230 nan 0.000 0.434 483 T N -1.042 113.483 114.554 -0.048 0.000 2.708 483 T HA -0.201 4.149 4.350 -0.000 0.000 0.266 483 T C 1.780 176.466 174.700 -0.023 0.000 1.037 483 T CA 1.182 63.261 62.100 -0.036 0.000 1.146 483 T CB -0.165 68.681 68.868 -0.037 0.000 0.865 483 T HN 0.340 nan 8.240 nan 0.000 0.435 484 E N 0.476 120.662 120.200 -0.024 0.000 2.085 484 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 484 E C 2.187 178.781 176.600 -0.010 0.000 0.994 484 E CA 1.072 57.462 56.400 -0.016 0.000 0.801 484 E CB -0.296 29.392 29.700 -0.020 0.000 0.743 484 E HN 0.515 nan 8.360 nan 0.000 0.453 485 I N 0.486 121.047 120.570 -0.016 0.000 2.142 485 I HA -0.291 3.879 4.170 -0.000 0.000 0.240 485 I C 2.776 178.900 176.117 0.011 0.000 1.078 485 I CA 1.084 62.381 61.300 -0.006 0.000 1.343 485 I CB -0.404 37.588 38.000 -0.014 0.000 1.046 485 I HN 0.040 nan 8.210 nan 0.000 0.405 486 R N 0.988 121.494 120.500 0.011 0.000 2.159 486 R HA -0.181 4.158 4.340 -0.000 0.000 0.237 486 R C 1.757 178.082 176.300 0.041 0.000 1.131 486 R CA 1.590 57.710 56.100 0.032 0.000 0.982 486 R CB 0.038 30.346 30.300 0.014 0.000 0.868 486 R HN 0.513 nan 8.270 nan 0.000 0.453 487 E N -0.736 119.477 120.200 0.023 0.000 2.256 487 E HA -0.002 4.348 4.350 -0.000 0.000 0.198 487 E C 1.746 178.358 176.600 0.020 0.000 0.908 487 E CA 0.009 56.423 56.400 0.023 0.000 0.915 487 E CB 0.212 29.920 29.700 0.012 0.000 0.890 487 E HN 0.219 nan 8.360 nan 0.000 0.484 488 K N 0.207 120.615 120.400 0.013 0.000 1.965 488 K HA -0.090 4.230 4.320 -0.000 0.000 0.214 488 K C 1.350 177.960 176.600 0.016 0.000 1.046 488 K CA 1.464 57.758 56.287 0.012 0.000 0.944 488 K CB -0.132 32.372 32.500 0.007 0.000 0.726 488 K HN 0.283 nan 8.250 nan 0.000 0.441 489 G N 1.067 109.877 108.800 0.017 0.000 2.176 489 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.253 489 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.253 489 G C -0.284 174.625 174.900 0.016 0.000 0.979 489 G CA 0.425 45.536 45.100 0.018 0.000 0.641 489 G HN 0.408 nan 8.290 nan 0.000 0.530 490 E N -1.133 119.075 120.200 0.013 0.000 2.392 490 E HA 0.748 5.098 4.350 -0.000 0.000 0.269 490 E C -0.738 175.867 176.600 0.009 0.000 0.924 490 E CA -1.005 55.403 56.400 0.014 0.000 0.784 490 E CB 1.942 31.650 29.700 0.013 0.000 1.292 490 E HN 0.133 nan 8.360 nan 0.000 0.447 491 L N 2.013 123.243 121.223 0.012 0.000 2.377 491 L HA 0.287 4.627 4.340 -0.000 0.000 0.270 491 L C 0.010 176.886 176.870 0.010 0.000 0.991 491 L CA -0.670 54.173 54.840 0.005 0.000 0.851 491 L CB 1.557 43.620 42.059 0.008 0.000 1.218 491 L HN 0.562 nan 8.230 nan 0.000 0.420 492 S N 1.637 117.340 115.700 0.005 0.000 2.596 492 S HA 0.174 4.644 4.470 -0.000 0.000 0.260 492 S C 1.060 175.666 174.600 0.011 0.000 1.336 492 S CA -0.418 57.787 58.200 0.008 0.000 0.993 492 S CB 1.192 64.395 63.200 0.005 0.000 0.923 492 S HN 0.622 nan 8.310 nan 0.000 0.567 493 K N 0.637 121.046 120.400 0.016 0.000 2.032 493 K HA -0.204 4.115 4.320 -0.000 0.000 0.209 493 K C 2.256 178.865 176.600 0.015 0.000 1.048 493 K CA 1.827 58.127 56.287 0.021 0.000 0.927 493 K CB -0.384 32.129 32.500 0.022 0.000 0.712 493 K HN 0.837 nan 8.250 nan 0.000 0.441 494 E N 1.428 121.633 120.200 0.009 0.000 2.048 494 E HA -0.252 4.098 4.350 -0.000 0.000 0.202 494 E C 1.834 178.430 176.600 -0.007 0.000 1.021 494 E CA 1.496 57.898 56.400 0.004 0.000 0.825 494 E CB -0.362 29.339 29.700 0.003 0.000 0.756 494 E HN 0.151 nan 8.360 nan 0.000 0.454 495 L N -0.224 120.990 121.223 -0.016 0.000 2.141 495 L HA 0.009 4.349 4.340 -0.000 0.000 0.209 495 L C 2.230 179.057 176.870 -0.072 0.000 1.094 495 L CA 1.402 56.218 54.840 -0.040 0.000 0.763 495 L CB -0.681 41.355 42.059 -0.038 0.000 0.908 495 L HN 0.395 nan 8.230 nan 0.000 0.437 496 L N -0.324 120.872 121.223 -0.046 0.000 1.976 496 L HA -0.096 4.243 4.340 -0.000 0.000 0.209 496 L C 2.543 179.389 176.870 -0.040 0.000 1.071 496 L CA 2.084 56.893 54.840 -0.052 0.000 0.746 496 L CB -0.946 41.139 42.059 0.043 0.000 0.890 496 L HN 0.253 nan 8.230 nan 0.000 0.432 497 A N -1.851 120.976 122.820 0.012 0.000 1.978 497 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 497 A C 2.515 180.098 177.584 -0.001 0.000 1.170 497 A CA 1.944 53.999 52.037 0.031 0.000 0.636 497 A CB -1.063 17.959 19.000 0.036 0.000 0.810 497 A HN 0.526 nan 8.150 nan 0.000 0.448 498 S N -0.908 114.774 115.700 -0.030 0.000 2.368 498 S HA -0.139 4.331 4.470 -0.000 0.000 0.225 498 S C 1.866 176.403 174.600 -0.105 0.000 1.030 498 S CA 1.568 59.741 58.200 -0.045 0.000 0.999 498 S CB -0.371 62.805 63.200 -0.040 0.000 0.844 498 S HN 0.463 nan 8.310 nan 0.000 0.459 499 L N 1.574 122.687 121.223 -0.183 0.000 2.217 499 L HA 0.148 4.488 4.340 -0.000 0.000 0.211 499 L C 2.226 178.921 176.870 -0.292 0.000 1.107 499 L CA 1.641 56.293 54.840 -0.314 0.000 0.783 499 L CB -0.515 41.229 42.059 -0.525 0.000 0.919 499 L HN 0.232 nan 8.230 nan 0.000 0.442 500 K N -1.273 119.039 120.400 -0.147 0.000 2.057 500 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 500 K C 2.208 178.850 176.600 0.070 0.000 1.049 500 K CA 1.515 57.867 56.287 0.109 0.000 0.931 500 K CB -0.118 32.513 32.500 0.217 0.000 0.714 500 K HN 0.278 nan 8.250 nan 0.000 0.440 501 S N 0.267 115.985 115.700 0.029 0.000 2.378 501 S HA -0.232 4.238 4.470 -0.000 0.000 0.221 501 S C 1.986 176.607 174.600 0.034 0.000 1.037 501 S CA 1.538 59.764 58.200 0.044 0.000 1.069 501 S CB -0.546 62.677 63.200 0.038 0.000 1.006 501 S HN 0.555 nan 8.310 nan 0.000 0.423 502 A N 0.797 123.559 122.820 -0.096 0.000 1.958 502 A HA -0.188 4.131 4.320 -0.000 0.000 0.221 502 A C 2.291 180.003 177.584 0.213 0.000 1.178 502 A CA 2.425 54.365 52.037 -0.161 0.000 0.642 502 A CB -1.515 17.057 19.000 -0.713 0.000 0.816 502 A HN 0.588 nan 8.150 nan 0.000 0.453 503 T N -0.069 114.564 114.554 0.132 0.000 2.708 503 T HA -0.153 4.197 4.350 -0.000 0.000 0.266 503 T C 1.748 176.466 174.700 0.029 0.000 1.037 503 T CA 1.785 63.919 62.100 0.057 0.000 1.146 503 T CB -0.297 68.419 68.868 -0.254 0.000 0.865 503 T HN 0.708 nan 8.240 nan 0.000 0.435 504 E N 1.008 121.236 120.200 0.047 0.000 2.072 504 E HA -0.039 4.310 4.350 -0.000 0.000 0.191 504 E C 2.416 179.094 176.600 0.129 0.000 0.985 504 E CA 0.942 57.420 56.400 0.130 0.000 0.801 504 E CB -0.212 29.585 29.700 0.161 0.000 0.750 504 E HN 0.280 nan 8.360 nan 0.000 0.452 505 S N -0.611 115.187 115.700 0.163 0.000 2.442 505 S HA -0.131 4.339 4.470 -0.000 0.000 0.236 505 S C 1.437 176.097 174.600 0.099 0.000 1.007 505 S CA 0.705 59.013 58.200 0.179 0.000 0.965 505 S CB -0.140 63.240 63.200 0.301 0.000 0.773 505 S HN 0.304 nan 8.310 nan 0.000 0.504 506 F N 0.865 120.755 119.950 -0.100 0.000 2.220 506 F HA 0.163 4.690 4.527 -0.000 0.000 0.290 506 F C 2.057 177.782 175.800 -0.125 0.000 1.080 506 F CA 0.721 58.512 58.000 -0.347 0.000 1.318 506 F CB -0.504 38.263 39.000 -0.388 0.000 1.063 506 F HN -0.015 nan 8.300 nan 0.000 0.498 507 V N 0.961 120.933 119.914 0.096 0.000 2.324 507 V HA -0.359 3.761 4.120 -0.000 0.000 0.250 507 V C 2.724 178.790 176.094 -0.047 0.000 1.060 507 V CA 1.854 64.205 62.300 0.085 0.000 1.042 507 V CB -1.496 30.427 31.823 0.168 0.000 0.650 507 V HN 0.478 nan 8.190 nan 0.000 0.450 508 A N -1.211 121.584 122.820 -0.042 0.000 2.093 508 A HA -0.188 4.132 4.320 -0.000 0.000 0.222 508 A C 1.664 179.182 177.584 -0.110 0.000 1.162 508 A CA 2.237 54.244 52.037 -0.051 0.000 0.655 508 A CB -0.477 18.513 19.000 -0.017 0.000 0.805 508 A HN 0.564 nan 8.150 nan 0.000 0.461 509 T N 0.000 114.419 114.554 -0.226 0.000 3.816 509 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 509 T CA 0.000 61.947 62.100 -0.255 0.000 1.349 509 T CB 0.000 68.685 68.868 -0.305 0.000 0.612 509 T HN 0.000 nan 8.240 nan 0.000 0.658