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 1jec_1_A DATA FIRST_RESID 2 DATA SEQUENCE PAPHGGILQD LIARDALKKN ELLSEAQSSD ILVWNLTPRQ LCDIELILNG DATA SEQUENCE GFSPLTGFLN ENDYSSVVTD SRLADGTLWT IPITLDVDEA FANQIKPDTR DATA SEQUENCE IALFQDDEIP IAILTVQDVY KPNKTIEAEK VFRGDPEHPA ISYLFNVAGD DATA SEQUENCE YYVGGSLEAI QLPQHYDYPG LRKTPAQLRL EFQSRQWDRV VAFQTRNPMH DATA SEQUENCE RAHRELTVRA AREANAKVLI HPVVGLTKPG DIDHHTRVRV YQEIIKRYPN DATA SEQUENCE GIAFLSLLPL AMRMSGDREA VWHAIIRKNY GASHFIVGRD HAGPGKNSKG DATA SEQUENCE VDFYGPYDAQ ELVESYKHEL DIEVVPFRMV TYLPDEDRYA PIDQIDTTKT DATA SEQUENCE RTLNISGTEL RRRLRVGGEI PEWFSYPEVV KILRESNPPR PKQGFSIVLG DATA SEQUENCE NSLTVSREQL SIALLSTFLQ FGGGRYYKIF EHNNKTELLS LIQDFIGSGS DATA SEQUENCE GLIIPNQWED DKDSVVGKQN VYLLDTSSSA DIQLESADEP ISHIVQKVVL DATA SEQUENCE FLEDNGFFVF 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.333 177.300 0.054 0.000 1.155 2 P CA 0.000 63.129 63.100 0.049 0.000 0.800 2 P CB 0.000 31.724 31.700 0.039 0.000 0.726 3 A N 0.998 123.847 122.820 0.048 0.000 2.425 3 A HA 0.578 4.897 4.320 -0.001 0.000 0.242 3 A C -2.240 175.384 177.584 0.065 0.000 1.077 3 A CA -0.721 51.343 52.037 0.045 0.000 0.781 3 A CB -0.912 18.108 19.000 0.034 0.000 1.020 3 A HN 0.349 nan 8.150 nan 0.000 0.494 4 P HA 0.050 nan 4.420 nan 0.000 0.268 4 P C -0.398 176.986 177.300 0.140 0.000 1.208 4 P CA 0.270 63.423 63.100 0.089 0.000 0.777 4 P CB 0.226 31.955 31.700 0.048 0.000 0.875 5 H N 1.477 120.591 119.070 0.073 0.000 3.091 5 H HA 0.295 4.850 4.556 -0.001 0.000 0.289 5 H C 1.585 176.955 175.328 0.071 0.000 0.995 5 H CA 2.036 58.139 56.048 0.092 0.000 1.461 5 H CB -0.770 29.092 29.762 0.166 0.000 1.510 5 H HN 0.701 nan 8.280 nan 0.000 0.546 6 G N 2.616 111.317 108.800 -0.165 0.000 2.195 6 G HA2 -0.180 3.779 3.960 -0.001 0.000 0.224 6 G HA3 -0.180 3.779 3.960 -0.001 0.000 0.224 6 G C 1.212 176.077 174.900 -0.058 0.000 0.990 6 G CA 0.581 45.598 45.100 -0.138 0.000 0.639 6 G HN 1.679 nan 8.290 nan 0.000 0.514 7 G N -0.933 107.855 108.800 -0.019 0.000 2.241 7 G HA2 -0.207 3.752 3.960 -0.001 0.000 0.244 7 G HA3 -0.207 3.752 3.960 -0.001 0.000 0.244 7 G C 0.253 175.151 174.900 -0.003 0.000 0.998 7 G CA 0.630 45.726 45.100 -0.007 0.000 0.621 7 G HN 1.485 nan 8.290 nan 0.000 0.519 8 I N 0.679 121.245 120.570 -0.006 0.000 2.533 8 I HA 0.477 4.646 4.170 -0.001 0.000 0.290 8 I C -0.268 175.843 176.117 -0.010 0.000 1.056 8 I CA -1.147 60.146 61.300 -0.012 0.000 1.057 8 I CB 2.041 40.028 38.000 -0.021 0.000 1.240 8 I HN 0.054 nan 8.210 nan 0.000 0.423 9 L N 6.626 127.837 121.223 -0.021 0.000 2.385 9 L HA 0.164 4.503 4.340 -0.001 0.000 0.281 9 L C 0.422 177.265 176.870 -0.046 0.000 1.106 9 L CA 0.347 55.165 54.840 -0.036 0.000 0.856 9 L CB 0.077 42.102 42.059 -0.057 0.000 1.186 9 L HN 0.499 nan 8.230 nan 0.000 0.453 10 Q N 3.284 123.059 119.800 -0.043 0.000 3.254 10 Q HA 0.049 4.388 4.340 -0.001 0.000 0.315 10 Q C -0.540 175.419 176.000 -0.069 0.000 1.405 10 Q CA -0.012 55.760 55.803 -0.051 0.000 0.966 10 Q CB -0.360 28.349 28.738 -0.048 0.000 1.706 10 Q HN 0.564 nan 8.270 nan 0.000 0.525 11 D N 1.428 121.783 120.400 -0.075 0.000 2.416 11 D HA 0.025 4.664 4.640 -0.001 0.000 0.240 11 D C 0.911 177.169 176.300 -0.071 0.000 1.250 11 D CA -0.063 53.885 54.000 -0.087 0.000 0.967 11 D CB 0.302 41.047 40.800 -0.092 0.000 1.059 11 D HN 0.304 nan 8.370 nan 0.000 0.512 12 L N 3.499 124.679 121.223 -0.071 0.000 2.291 12 L HA -0.111 4.228 4.340 -0.001 0.000 0.214 12 L C 2.053 178.890 176.870 -0.054 0.000 1.120 12 L CA 0.149 54.954 54.840 -0.058 0.000 0.799 12 L CB -0.217 41.806 42.059 -0.059 0.000 0.925 12 L HN 0.472 nan 8.230 nan 0.000 0.446 13 I N 0.832 121.365 120.570 -0.061 0.000 2.179 13 I HA -0.244 3.925 4.170 -0.001 0.000 0.242 13 I C 2.810 178.896 176.117 -0.050 0.000 1.088 13 I CA 1.721 62.987 61.300 -0.056 0.000 1.357 13 I CB -1.095 36.868 38.000 -0.062 0.000 1.051 13 I HN 0.192 nan 8.210 nan 0.000 0.409 14 A N 0.380 123.167 122.820 -0.054 0.000 1.897 14 A HA -0.185 4.134 4.320 -0.001 0.000 0.215 14 A C 2.520 180.079 177.584 -0.041 0.000 1.181 14 A CA 1.175 53.184 52.037 -0.048 0.000 0.620 14 A CB -0.589 18.380 19.000 -0.053 0.000 0.821 14 A HN 0.306 nan 8.150 nan 0.000 0.443 15 R N -0.131 120.344 120.500 -0.042 0.000 2.083 15 R HA -0.166 4.173 4.340 -0.001 0.000 0.237 15 R C 0.223 176.504 176.300 -0.030 0.000 1.137 15 R CA 1.896 57.975 56.100 -0.035 0.000 0.951 15 R CB -0.229 30.049 30.300 -0.036 0.000 0.851 15 R HN 0.371 nan 8.270 nan 0.000 0.434 16 D N -0.134 120.247 120.400 -0.031 0.000 2.342 16 D HA 0.115 4.754 4.640 -0.001 0.000 0.221 16 D C 1.153 177.437 176.300 -0.027 0.000 1.101 16 D CA 0.460 54.444 54.000 -0.026 0.000 0.837 16 D CB 0.652 41.437 40.800 -0.026 0.000 0.938 16 D HN 0.303 nan 8.370 nan 0.000 0.508 17 A N 0.572 123.375 122.820 -0.029 0.000 1.927 17 A HA -0.181 4.138 4.320 -0.001 0.000 0.220 17 A C 1.956 179.526 177.584 -0.023 0.000 1.185 17 A CA 1.046 53.066 52.037 -0.028 0.000 0.639 17 A CB -0.605 18.378 19.000 -0.029 0.000 0.820 17 A HN 0.328 nan 8.150 nan 0.000 0.451 18 L N -1.673 119.537 121.223 -0.020 0.000 2.627 18 L HA 0.048 4.387 4.340 -0.001 0.000 0.233 18 L C 1.325 178.186 176.870 -0.014 0.000 1.144 18 L CA 0.538 55.368 54.840 -0.016 0.000 0.892 18 L CB -0.066 41.984 42.059 -0.015 0.000 1.039 18 L HN 0.337 nan 8.230 nan 0.000 0.442 19 K N -0.639 119.751 120.400 -0.015 0.000 2.413 19 K HA 0.066 4.385 4.320 -0.001 0.000 0.204 19 K C 1.487 178.078 176.600 -0.014 0.000 1.041 19 K CA -0.194 56.086 56.287 -0.012 0.000 1.082 19 K CB 0.666 33.160 32.500 -0.010 0.000 0.871 19 K HN 0.038 nan 8.250 nan 0.000 0.535 20 K N 1.935 122.324 120.400 -0.019 0.000 2.032 20 K HA -0.157 4.163 4.320 -0.001 0.000 0.209 20 K C 1.250 177.837 176.600 -0.021 0.000 1.048 20 K CA 1.806 58.078 56.287 -0.024 0.000 0.927 20 K CB 0.022 32.505 32.500 -0.028 0.000 0.712 20 K HN 0.184 nan 8.250 nan 0.000 0.441 21 N N -0.040 118.651 118.700 -0.016 0.000 2.142 21 N HA -0.148 4.591 4.740 -0.001 0.000 0.186 21 N C 1.543 177.049 175.510 -0.006 0.000 1.023 21 N CA 1.306 54.349 53.050 -0.012 0.000 0.852 21 N CB 0.021 38.503 38.487 -0.008 0.000 0.998 21 N HN 0.208 nan 8.380 nan 0.000 0.424 22 E N 1.014 121.211 120.200 -0.004 0.000 2.051 22 E HA -0.094 4.256 4.350 -0.001 0.000 0.192 22 E C 1.938 178.541 176.600 0.005 0.000 0.991 22 E CA 0.784 57.185 56.400 0.002 0.000 0.799 22 E CB -0.221 29.479 29.700 0.001 0.000 0.748 22 E HN 0.310 nan 8.360 nan 0.000 0.449 23 L N 0.011 121.234 121.223 -0.001 0.000 2.093 23 L HA -0.129 4.211 4.340 -0.001 0.000 0.208 23 L C 2.299 179.167 176.870 -0.003 0.000 1.085 23 L CA 0.429 55.270 54.840 0.002 0.000 0.755 23 L CB -0.346 41.709 42.059 -0.007 0.000 0.904 23 L HN 0.184 nan 8.230 nan 0.000 0.435 24 L N -0.764 120.449 121.223 -0.017 0.000 2.046 24 L HA -0.196 4.143 4.340 -0.001 0.000 0.208 24 L C 2.694 179.564 176.870 0.000 0.000 1.077 24 L CA 1.815 56.638 54.840 -0.029 0.000 0.747 24 L CB -0.567 41.472 42.059 -0.034 0.000 0.896 24 L HN 0.133 nan 8.230 nan 0.000 0.432 25 S N -1.061 114.645 115.700 0.010 0.000 2.383 25 S HA -0.232 4.237 4.470 -0.001 0.000 0.227 25 S C 2.043 176.668 174.600 0.042 0.000 1.026 25 S CA 1.403 59.618 58.200 0.025 0.000 0.981 25 S CB -0.303 62.908 63.200 0.018 0.000 0.818 25 S HN 0.648 nan 8.310 nan 0.000 0.472 26 E N 0.365 120.589 120.200 0.040 0.000 2.072 26 E HA -0.075 4.274 4.350 -0.001 0.000 0.191 26 E C 2.039 178.693 176.600 0.090 0.000 0.985 26 E CA 0.964 57.398 56.400 0.056 0.000 0.801 26 E CB -0.368 29.360 29.700 0.047 0.000 0.750 26 E HN 0.577 nan 8.360 nan 0.000 0.452 27 A N 0.681 123.558 122.820 0.094 0.000 2.019 27 A HA -0.174 4.145 4.320 -0.001 0.000 0.219 27 A C 1.860 179.609 177.584 0.274 0.000 1.164 27 A CA 1.286 53.426 52.037 0.172 0.000 0.644 27 A CB -0.255 18.770 19.000 0.041 0.000 0.805 27 A HN 0.341 nan 8.150 nan 0.000 0.449 28 Q N 0.554 120.460 119.800 0.177 0.000 2.280 28 Q HA 0.096 4.435 4.340 -0.001 0.000 0.201 28 Q C 0.459 176.530 176.000 0.117 0.000 0.890 28 Q CA 0.210 56.124 55.803 0.185 0.000 0.947 28 Q CB 0.160 28.975 28.738 0.128 0.000 1.081 28 Q HN 0.740 nan 8.270 nan 0.000 0.502 29 S N -0.649 115.111 115.700 0.099 0.000 2.584 29 S HA 0.105 4.574 4.470 -0.001 0.000 0.270 29 S C 1.077 175.711 174.600 0.056 0.000 1.346 29 S CA -0.356 57.883 58.200 0.066 0.000 1.018 29 S CB 1.406 64.640 63.200 0.058 0.000 0.899 29 S HN 0.089 nan 8.310 nan 0.000 0.542 30 S N 0.821 116.542 115.700 0.036 0.000 2.395 30 S HA -0.035 4.434 4.470 -0.001 0.000 0.225 30 S C 0.921 175.532 174.600 0.018 0.000 1.027 30 S CA 0.813 59.026 58.200 0.022 0.000 0.965 30 S CB -0.433 62.776 63.200 0.015 0.000 0.812 30 S HN 0.789 nan 8.310 nan 0.000 0.482 31 D N 0.895 121.309 120.400 0.022 0.000 2.323 31 D HA 0.191 4.830 4.640 -0.001 0.000 0.209 31 D C 0.526 176.841 176.300 0.026 0.000 0.973 31 D CA 0.065 54.076 54.000 0.018 0.000 0.874 31 D CB -0.071 40.738 40.800 0.015 0.000 0.930 31 D HN 0.345 nan 8.370 nan 0.000 0.521 32 I N 1.242 121.839 120.570 0.045 0.000 2.588 32 I HA -0.018 4.151 4.170 -0.001 0.000 0.283 32 I C -0.356 175.804 176.117 0.072 0.000 1.119 32 I CA -0.605 60.734 61.300 0.066 0.000 1.419 32 I CB 0.786 38.844 38.000 0.098 0.000 1.394 32 I HN -0.234 nan 8.210 nan 0.000 0.562 33 L N 8.362 129.637 121.223 0.086 0.000 2.360 33 L HA 0.269 4.608 4.340 -0.001 0.000 0.276 33 L C -0.456 176.557 176.870 0.238 0.000 1.121 33 L CA 0.345 55.260 54.840 0.125 0.000 0.845 33 L CB 1.039 43.133 42.059 0.058 0.000 1.143 33 L HN 0.310 nan 8.230 nan 0.000 0.452 34 V N 5.245 125.287 119.914 0.214 0.000 2.532 34 V HA 0.402 4.521 4.120 -0.001 0.000 0.295 34 V C -0.669 175.556 176.094 0.219 0.000 1.041 34 V CA -0.708 61.686 62.300 0.156 0.000 0.926 34 V CB 1.789 33.481 31.823 -0.219 0.000 0.992 34 V HN 0.804 nan 8.190 nan 0.000 0.457 35 W N 5.325 126.605 121.300 -0.035 0.000 2.683 35 W HA 0.396 5.055 4.660 -0.002 0.000 0.329 35 W C -0.919 175.521 176.519 -0.132 0.000 1.037 35 W CA -0.787 56.376 57.345 -0.304 0.000 1.232 35 W CB 1.708 30.868 29.460 -0.500 0.000 1.390 35 W HN 0.602 nan 8.180 nan 0.000 0.465 36 N N 6.061 124.108 118.700 -1.089 0.000 2.419 36 N HA 0.201 4.940 4.740 -0.001 0.000 0.264 36 N C -0.498 174.585 175.510 -0.711 0.000 1.031 36 N CA -0.211 52.455 53.050 -0.640 0.000 0.951 36 N CB 0.850 39.032 38.487 -0.508 0.000 1.101 36 N HN 0.461 nan 8.380 nan 0.000 0.488 37 L N 2.729 123.874 121.223 -0.129 0.000 2.455 37 L HA 0.065 4.404 4.340 -0.001 0.000 0.272 37 L C 1.464 178.375 176.870 0.067 0.000 1.174 37 L CA -0.255 54.664 54.840 0.131 0.000 0.869 37 L CB 0.434 42.609 42.059 0.193 0.000 1.130 37 L HN 0.553 nan 8.230 nan 0.000 0.474 38 T N 0.003 114.655 114.554 0.163 0.000 2.828 38 T HA 0.187 4.536 4.350 -0.001 0.000 0.290 38 T C -1.507 173.279 174.700 0.143 0.000 1.019 38 T CA -1.571 60.608 62.100 0.132 0.000 1.031 38 T CB 0.945 69.935 68.868 0.204 0.000 1.001 38 T HN 0.457 nan 8.240 nan 0.000 0.531 39 P HA -0.147 nan 4.420 nan 0.000 0.218 39 P C 1.461 178.845 177.300 0.140 0.000 1.148 39 P CA 1.095 64.271 63.100 0.126 0.000 0.822 39 P CB 0.098 31.870 31.700 0.120 0.000 0.784 40 R N 0.198 120.802 120.500 0.172 0.000 2.090 40 R HA -0.075 4.264 4.340 -0.001 0.000 0.228 40 R C 2.483 178.888 176.300 0.174 0.000 1.110 40 R CA 1.200 57.377 56.100 0.129 0.000 0.973 40 R CB -0.384 29.937 30.300 0.035 0.000 0.869 40 R HN 0.157 nan 8.270 nan 0.000 0.440 41 Q N 0.056 119.982 119.800 0.211 0.000 2.224 41 Q HA -0.109 4.230 4.340 -0.001 0.000 0.203 41 Q C 2.029 178.186 176.000 0.262 0.000 0.970 41 Q CA 1.072 57.036 55.803 0.268 0.000 0.865 41 Q CB 0.074 28.954 28.738 0.236 0.000 0.922 41 Q HN 0.375 nan 8.270 nan 0.000 0.445 42 L N -0.688 120.645 121.223 0.184 0.000 2.109 42 L HA -0.194 4.145 4.340 -0.001 0.000 0.207 42 L C 2.376 179.317 176.870 0.119 0.000 1.086 42 L CA 0.604 55.525 54.840 0.135 0.000 0.760 42 L CB -0.284 41.828 42.059 0.089 0.000 0.910 42 L HN 0.365 nan 8.230 nan 0.000 0.437 43 C N -0.110 119.264 119.300 0.123 0.000 2.432 43 C HA -0.171 4.288 4.460 -0.001 0.000 0.277 43 C C 2.432 177.475 174.990 0.088 0.000 1.249 43 C CA 0.712 59.784 59.018 0.091 0.000 1.725 43 C CB -0.743 27.051 27.740 0.090 0.000 2.028 43 C HN 0.552 nan 8.230 nan 0.000 0.477 44 D N 0.388 120.907 120.400 0.198 0.000 2.117 44 D HA -0.080 4.560 4.640 -0.001 0.000 0.198 44 D C 1.887 178.225 176.300 0.063 0.000 0.982 44 D CA 0.904 55.068 54.000 0.273 0.000 0.828 44 D CB -0.511 40.567 40.800 0.464 0.000 0.967 44 D HN 0.457 nan 8.370 nan 0.000 0.464 45 I N 0.741 121.370 120.570 0.098 0.000 2.493 45 I HA -0.218 3.951 4.170 -0.001 0.000 0.254 45 I C 2.204 178.274 176.117 -0.079 0.000 1.160 45 I CA 1.022 62.313 61.300 -0.014 0.000 1.445 45 I CB 0.128 38.221 38.000 0.155 0.000 1.086 45 I HN -0.031 nan 8.210 nan 0.000 0.433 46 E N 0.428 120.592 120.200 -0.059 0.000 2.106 46 E HA -0.207 4.142 4.350 -0.001 0.000 0.192 46 E C 2.135 178.624 176.600 -0.186 0.000 0.984 46 E CA 0.915 57.268 56.400 -0.078 0.000 0.806 46 E CB 0.129 29.825 29.700 -0.007 0.000 0.750 46 E HN 0.375 nan 8.360 nan 0.000 0.458 47 L N 0.776 121.786 121.223 -0.355 0.000 2.217 47 L HA -0.050 4.289 4.340 -0.001 0.000 0.211 47 L C 2.228 178.753 176.870 -0.575 0.000 1.107 47 L CA 0.987 55.432 54.840 -0.660 0.000 0.783 47 L CB -0.526 40.651 42.059 -1.470 0.000 0.919 47 L HN 0.337 nan 8.230 nan 0.000 0.442 48 I N -0.576 119.770 120.570 -0.373 0.000 2.277 48 I HA -0.270 3.899 4.170 -0.001 0.000 0.243 48 I C 2.427 178.453 176.117 -0.153 0.000 1.094 48 I CA 0.846 62.042 61.300 -0.173 0.000 1.393 48 I CB -0.150 37.727 38.000 -0.205 0.000 1.078 48 I HN 0.140 nan 8.210 nan 0.000 0.417 49 L N 1.496 122.628 121.223 -0.151 0.000 2.131 49 L HA -0.191 4.148 4.340 -0.001 0.000 0.210 49 L C 1.862 178.663 176.870 -0.115 0.000 1.092 49 L CA 1.329 56.102 54.840 -0.113 0.000 0.759 49 L CB -0.805 41.201 42.059 -0.089 0.000 0.903 49 L HN 0.507 nan 8.230 nan 0.000 0.435 50 N N -0.052 118.563 118.700 -0.142 0.000 2.322 50 N HA 0.032 4.771 4.740 -0.001 0.000 0.194 50 N C 1.186 176.580 175.510 -0.194 0.000 1.126 50 N CA 0.729 53.687 53.050 -0.154 0.000 0.845 50 N CB 0.439 38.837 38.487 -0.148 0.000 0.976 50 N HN 0.240 nan 8.380 nan 0.000 0.475 51 G N -1.194 107.510 108.800 -0.159 0.000 2.179 51 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.260 51 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.260 51 G C 1.053 175.879 174.900 -0.123 0.000 0.977 51 G CA 0.300 45.324 45.100 -0.127 0.000 0.641 51 G HN 0.670 nan 8.290 nan 0.000 0.533 52 G N -0.227 108.453 108.800 -0.200 0.000 2.462 52 G HA2 0.071 4.030 3.960 -0.001 0.000 0.220 52 G HA3 0.071 4.030 3.960 -0.001 0.000 0.220 52 G C 1.021 176.081 174.900 0.267 0.000 1.121 52 G CA 1.375 46.412 45.100 -0.105 0.000 0.758 52 G HN 0.465 nan 8.290 nan 0.000 0.559 53 F N 1.683 121.709 119.950 0.126 0.000 2.684 53 F HA 0.397 4.923 4.527 -0.001 0.000 0.298 53 F C 1.114 176.969 175.800 0.091 0.000 1.120 53 F CA -1.665 56.497 58.000 0.270 0.000 1.332 53 F CB -0.455 38.675 39.000 0.217 0.000 0.986 53 F HN -0.153 nan 8.300 nan 0.000 0.524 54 S N 3.687 119.535 115.700 0.246 0.000 2.573 54 S HA -0.026 4.443 4.470 -0.001 0.000 0.297 54 S C -1.191 173.531 174.600 0.203 0.000 1.280 54 S CA -0.384 57.894 58.200 0.130 0.000 1.061 54 S CB 0.445 63.709 63.200 0.106 0.000 0.812 54 S HN 0.186 nan 8.310 nan 0.000 0.500 55 P HA 0.118 nan 4.420 nan 0.000 0.253 55 P C -0.212 176.997 177.300 -0.152 0.000 1.260 55 P CA -0.069 62.994 63.100 -0.062 0.000 0.800 55 P CB 0.083 31.738 31.700 -0.076 0.000 1.162 56 L N 1.466 122.527 121.223 -0.270 0.000 2.514 56 L HA 0.038 4.377 4.340 -0.001 0.000 0.280 56 L C 1.611 178.393 176.870 -0.147 0.000 1.223 56 L CA 1.554 56.226 54.840 -0.280 0.000 0.864 56 L CB -0.125 41.712 42.059 -0.370 0.000 1.118 56 L HN 0.053 nan 8.230 nan 0.000 0.494 57 T N -1.386 113.085 114.554 -0.138 0.000 3.332 57 T HA 0.654 5.003 4.350 -0.001 0.000 0.304 57 T C 0.212 174.847 174.700 -0.108 0.000 0.971 57 T CA 0.075 62.113 62.100 -0.104 0.000 0.954 57 T CB -0.050 68.773 68.868 -0.075 0.000 1.175 57 T HN 0.879 nan 8.240 nan 0.000 0.519 58 G N 0.564 109.270 108.800 -0.156 0.000 2.321 58 G HA2 0.473 4.432 3.960 -0.001 0.000 0.296 58 G HA3 0.473 4.432 3.960 -0.001 0.000 0.296 58 G C -1.868 172.901 174.900 -0.218 0.000 1.287 58 G CA -1.047 43.959 45.100 -0.157 0.000 0.846 58 G HN 0.147 nan 8.290 nan 0.000 0.508 59 F N 0.616 120.568 119.950 0.004 0.000 2.384 59 F HA 0.511 5.037 4.527 -0.002 0.000 0.338 59 F C 1.221 177.021 175.800 0.000 0.000 1.103 59 F CA -0.511 57.486 58.000 -0.005 0.000 1.157 59 F CB 1.154 40.135 39.000 -0.031 0.000 1.167 59 F HN 0.146 nan 8.300 nan 0.000 0.529 60 L N 3.710 125.041 121.223 0.180 0.000 2.499 60 L HA 0.028 4.367 4.340 -0.001 0.000 0.273 60 L C 0.248 177.266 176.870 0.246 0.000 1.195 60 L CA -0.506 54.425 54.840 0.152 0.000 0.882 60 L CB -0.089 42.064 42.059 0.156 0.000 1.133 60 L HN 0.681 nan 8.230 nan 0.000 0.483 61 N N 1.388 120.204 118.700 0.193 0.000 2.364 61 N HA -0.003 4.736 4.740 -0.001 0.000 0.264 61 N C 0.535 176.092 175.510 0.078 0.000 1.263 61 N CA -0.533 52.648 53.050 0.219 0.000 0.959 61 N CB 0.420 38.969 38.487 0.103 0.000 1.204 61 N HN 0.580 nan 8.380 nan 0.000 0.550 62 E N -0.785 119.196 120.200 -0.364 0.000 2.150 62 E HA -0.258 4.091 4.350 -0.001 0.000 0.193 62 E C 1.344 177.858 176.600 -0.144 0.000 0.985 62 E CA 0.730 56.749 56.400 -0.635 0.000 0.814 62 E CB -0.123 28.931 29.700 -1.075 0.000 0.752 62 E HN 0.680 nan 8.360 nan 0.000 0.466 63 N N 0.184 118.825 118.700 -0.097 0.000 2.043 63 N HA -0.196 4.543 4.740 -0.001 0.000 0.193 63 N C 1.408 176.913 175.510 -0.008 0.000 1.037 63 N CA 1.546 54.569 53.050 -0.044 0.000 0.851 63 N CB 0.016 38.482 38.487 -0.034 0.000 1.027 63 N HN 0.120 nan 8.380 nan 0.000 0.422 64 D N -0.329 120.082 120.400 0.018 0.000 2.117 64 D HA -0.149 4.491 4.640 -0.001 0.000 0.198 64 D C 1.707 178.044 176.300 0.061 0.000 0.982 64 D CA 0.694 54.708 54.000 0.024 0.000 0.828 64 D CB -0.512 40.295 40.800 0.011 0.000 0.967 64 D HN 0.410 nan 8.370 nan 0.000 0.464 65 Y N 1.746 122.048 120.300 0.002 0.000 2.128 65 Y HA -0.250 4.299 4.550 -0.001 0.000 0.284 65 Y C 2.388 178.301 175.900 0.022 0.000 1.154 65 Y CA 1.865 59.996 58.100 0.051 0.000 1.149 65 Y CB -0.375 38.182 38.460 0.162 0.000 0.976 65 Y HN -0.167 nan 8.280 nan 0.000 0.505 66 S N -0.347 115.295 115.700 -0.097 0.000 2.368 66 S HA -0.194 4.275 4.470 -0.001 0.000 0.225 66 S C 2.125 176.611 174.600 -0.190 0.000 1.030 66 S CA 1.427 59.500 58.200 -0.212 0.000 0.999 66 S CB -0.473 62.693 63.200 -0.058 0.000 0.844 66 S HN 0.576 nan 8.310 nan 0.000 0.459 67 S N 0.905 116.541 115.700 -0.106 0.000 2.383 67 S HA -0.037 4.432 4.470 -0.001 0.000 0.227 67 S C 1.947 176.493 174.600 -0.090 0.000 1.026 67 S CA 0.819 58.973 58.200 -0.076 0.000 0.981 67 S CB -0.268 62.911 63.200 -0.036 0.000 0.818 67 S HN 0.317 nan 8.310 nan 0.000 0.472 68 V N 1.344 121.194 119.914 -0.105 0.000 2.358 68 V HA -0.106 4.013 4.120 -0.001 0.000 0.246 68 V C 2.285 178.261 176.094 -0.198 0.000 1.047 68 V CA 1.221 63.465 62.300 -0.093 0.000 1.035 68 V CB -0.628 31.187 31.823 -0.012 0.000 0.658 68 V HN 0.328 nan 8.190 nan 0.000 0.452 69 V N 0.884 120.600 119.914 -0.329 0.000 2.295 69 V HA -0.243 3.877 4.120 -0.001 0.000 0.246 69 V C 2.650 178.614 176.094 -0.217 0.000 1.049 69 V CA 2.716 64.804 62.300 -0.352 0.000 1.024 69 V CB -0.911 30.614 31.823 -0.497 0.000 0.648 69 V HN 0.824 nan 8.190 nan 0.000 0.447 70 T N -3.376 111.079 114.554 -0.166 0.000 3.033 70 T HA 0.000 4.350 4.350 -0.001 0.000 0.248 70 T C 1.267 175.929 174.700 -0.064 0.000 1.040 70 T CA 0.873 62.913 62.100 -0.101 0.000 1.133 70 T CB -0.120 68.700 68.868 -0.080 0.000 0.895 70 T HN 0.362 nan 8.240 nan 0.000 0.465 71 D N 0.894 121.259 120.400 -0.058 0.000 2.360 71 D HA 0.305 4.944 4.640 -0.001 0.000 0.210 71 D C 0.623 176.916 176.300 -0.012 0.000 1.047 71 D CA 0.251 54.238 54.000 -0.022 0.000 0.854 71 D CB 0.082 40.873 40.800 -0.016 0.000 0.936 71 D HN 0.253 nan 8.370 nan 0.000 0.514 72 S N -0.264 115.409 115.700 -0.046 0.000 3.586 72 S HA -0.211 4.259 4.470 -0.001 0.000 0.309 72 S C 0.152 174.725 174.600 -0.046 0.000 1.195 72 S CA 0.706 58.870 58.200 -0.060 0.000 0.895 72 S CB -0.809 62.381 63.200 -0.017 0.000 0.983 72 S HN 0.377 nan 8.310 nan 0.000 0.563 73 R N -0.826 119.672 120.500 -0.004 0.000 2.764 73 R HA 0.651 4.990 4.340 -0.001 0.000 0.270 73 R C -0.520 175.812 176.300 0.053 0.000 1.014 73 R CA -1.024 55.101 56.100 0.041 0.000 0.904 73 R CB 0.928 31.239 30.300 0.019 0.000 1.236 73 R HN 0.115 nan 8.270 nan 0.000 0.466 74 L N 1.016 122.280 121.223 0.069 0.000 2.453 74 L HA 0.231 4.570 4.340 -0.001 0.000 0.261 74 L C 1.589 178.458 176.870 -0.002 0.000 1.179 74 L CA -0.007 54.843 54.840 0.017 0.000 0.813 74 L CB 0.865 42.913 42.059 -0.019 0.000 1.110 74 L HN 0.921 nan 8.230 nan 0.000 0.466 75 A N 1.014 123.825 122.820 -0.015 0.000 2.084 75 A HA -0.216 4.103 4.320 -0.001 0.000 0.221 75 A C 1.497 179.072 177.584 -0.016 0.000 1.161 75 A CA 1.851 53.878 52.037 -0.016 0.000 0.653 75 A CB -0.674 18.315 19.000 -0.019 0.000 0.802 75 A HN 0.930 nan 8.150 nan 0.000 0.457 76 D N -2.504 117.884 120.400 -0.020 0.000 2.340 76 D HA 0.280 4.919 4.640 -0.001 0.000 0.220 76 D C 1.150 177.441 176.300 -0.016 0.000 1.039 76 D CA 0.903 54.891 54.000 -0.021 0.000 0.866 76 D CB -0.572 40.209 40.800 -0.032 0.000 0.913 76 D HN 0.796 nan 8.370 nan 0.000 0.523 77 G N -0.609 108.187 108.800 -0.007 0.000 2.175 77 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.244 77 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.244 77 G C 0.344 175.246 174.900 0.005 0.000 0.982 77 G CA 0.216 45.317 45.100 0.001 0.000 0.641 77 G HN 0.435 nan 8.290 nan 0.000 0.527 78 T N 1.736 116.291 114.554 0.003 0.000 2.834 78 T HA 0.410 4.759 4.350 -0.001 0.000 0.298 78 T C 0.583 175.348 174.700 0.107 0.000 0.966 78 T CA -0.113 61.992 62.100 0.008 0.000 1.141 78 T CB 1.324 70.176 68.868 -0.026 0.000 0.905 78 T HN 0.611 nan 8.240 nan 0.000 0.535 79 L N 5.356 126.654 121.223 0.125 0.000 2.559 79 L HA 0.193 4.532 4.340 -0.001 0.000 0.274 79 L C -0.692 176.327 176.870 0.249 0.000 1.205 79 L CA 0.478 55.360 54.840 0.071 0.000 0.907 79 L CB -0.253 41.767 42.059 -0.065 0.000 1.153 79 L HN 0.722 nan 8.230 nan 0.000 0.490 80 W N 5.790 127.036 121.300 -0.089 0.000 3.261 80 W HA 0.118 4.778 4.660 -0.001 0.000 0.321 80 W C 0.128 176.539 176.519 -0.179 0.000 1.076 80 W CA 0.094 57.380 57.345 -0.098 0.000 1.261 80 W CB 1.623 31.047 29.460 -0.060 0.000 1.166 80 W HN 0.713 nan 8.180 nan 0.000 0.395 81 T N 1.113 115.284 114.554 -0.639 0.000 3.065 81 T HA 0.243 4.592 4.350 -0.001 0.000 0.252 81 T C 0.532 174.917 174.700 -0.525 0.000 1.099 81 T CA 0.440 62.264 62.100 -0.460 0.000 1.063 81 T CB 0.611 69.264 68.868 -0.357 0.000 0.948 81 T HN 0.142 nan 8.240 nan 0.000 0.506 82 I N 3.588 123.672 120.570 -0.809 0.000 2.418 82 I HA 0.419 4.588 4.170 -0.001 0.000 0.287 82 I C -2.699 173.211 176.117 -0.345 0.000 1.008 82 I CA -3.222 57.636 61.300 -0.737 0.000 1.104 82 I CB 1.814 38.938 38.000 -1.461 0.000 1.264 82 I HN -0.033 nan 8.210 nan 0.000 0.438 83 P HA 0.257 nan 4.420 nan 0.000 0.276 83 P C -0.648 176.694 177.300 0.070 0.000 1.243 83 P CA -0.254 62.891 63.100 0.075 0.000 0.768 83 P CB 1.228 33.032 31.700 0.174 0.000 0.856 84 I N 4.223 124.870 120.570 0.128 0.000 2.359 84 I HA 0.296 4.466 4.170 -0.001 0.000 0.284 84 I C 0.800 177.043 176.117 0.211 0.000 1.018 84 I CA 0.202 61.602 61.300 0.167 0.000 1.173 84 I CB 1.208 39.332 38.000 0.206 0.000 1.326 84 I HN 0.363 nan 8.210 nan 0.000 0.462 85 T N 3.179 117.781 114.554 0.080 0.000 2.916 85 T HA 0.683 5.032 4.350 -0.001 0.000 0.292 85 T C -0.737 173.758 174.700 -0.341 0.000 1.064 85 T CA -0.882 61.132 62.100 -0.144 0.000 1.011 85 T CB 1.643 69.960 68.868 -0.919 0.000 1.152 85 T HN 0.226 nan 8.240 nan 0.000 0.510 86 L N 3.301 124.126 121.223 -0.664 0.000 2.270 86 L HA 0.368 4.707 4.340 -0.001 0.000 0.286 86 L C -0.540 175.986 176.870 -0.573 0.000 1.059 86 L CA -0.458 53.803 54.840 -0.966 0.000 0.839 86 L CB 0.039 41.311 42.059 -1.310 0.000 1.221 86 L HN 0.747 nan 8.230 nan 0.000 0.431 87 D N 5.286 125.461 120.400 -0.375 0.000 2.295 87 D HA 0.358 4.997 4.640 -0.001 0.000 0.248 87 D C -0.042 176.127 176.300 -0.217 0.000 1.154 87 D CA -0.313 53.616 54.000 -0.118 0.000 0.857 87 D CB 1.793 42.637 40.800 0.073 0.000 1.117 87 D HN 0.316 nan 8.370 nan 0.000 0.468 88 V N -0.791 118.992 119.914 -0.219 0.000 3.126 88 V HA 0.565 4.684 4.120 -0.001 0.000 0.314 88 V C -0.600 175.550 176.094 0.094 0.000 1.138 88 V CA -1.166 60.964 62.300 -0.283 0.000 1.034 88 V CB 1.884 33.325 31.823 -0.637 0.000 1.075 88 V HN 0.587 nan 8.190 nan 0.000 0.442 89 D N -0.251 120.279 120.400 0.217 0.000 2.348 89 D HA 0.195 4.834 4.640 -0.001 0.000 0.249 89 D C 0.856 177.227 176.300 0.118 0.000 1.110 89 D CA -0.037 54.098 54.000 0.225 0.000 0.967 89 D CB 1.206 42.132 40.800 0.210 0.000 1.139 89 D HN 0.857 nan 8.370 nan 0.000 0.466 90 E N 0.313 120.532 120.200 0.032 0.000 2.070 90 E HA -0.295 4.054 4.350 -0.001 0.000 0.197 90 E C 1.935 178.426 176.600 -0.181 0.000 1.004 90 E CA 1.562 57.772 56.400 -0.317 0.000 0.805 90 E CB -0.303 29.318 29.700 -0.132 0.000 0.744 90 E HN 0.565 nan 8.360 nan 0.000 0.451 91 A N 0.300 123.111 122.820 -0.015 0.000 1.927 91 A HA -0.225 4.094 4.320 -0.001 0.000 0.220 91 A C 2.017 179.632 177.584 0.051 0.000 1.185 91 A CA 1.684 53.733 52.037 0.021 0.000 0.639 91 A CB -0.876 18.169 19.000 0.075 0.000 0.820 91 A HN 0.531 nan 8.150 nan 0.000 0.451 92 F N 0.161 120.107 119.950 -0.007 0.000 2.219 92 F HA 0.191 4.717 4.527 -0.001 0.000 0.294 92 F C 2.547 178.296 175.800 -0.085 0.000 1.086 92 F CA 0.834 58.849 58.000 0.025 0.000 1.330 92 F CB -0.377 38.738 39.000 0.193 0.000 1.047 92 F HN 0.239 nan 8.300 nan 0.000 0.495 93 A N 0.544 123.328 122.820 -0.060 0.000 1.948 93 A HA -0.248 4.071 4.320 -0.001 0.000 0.220 93 A C 2.035 179.455 177.584 -0.273 0.000 1.177 93 A CA 2.068 53.973 52.037 -0.219 0.000 0.636 93 A CB -0.958 17.781 19.000 -0.436 0.000 0.815 93 A HN 0.492 nan 8.150 nan 0.000 0.449 94 N N -0.118 118.421 118.700 -0.268 0.000 2.244 94 N HA -0.134 4.605 4.740 -0.001 0.000 0.183 94 N C 1.609 177.001 175.510 -0.197 0.000 1.016 94 N CA 1.312 54.237 53.050 -0.209 0.000 0.866 94 N CB -0.370 38.016 38.487 -0.168 0.000 0.980 94 N HN 0.694 nan 8.380 nan 0.000 0.430 95 Q N 0.343 119.985 119.800 -0.262 0.000 2.482 95 Q HA 0.114 4.453 4.340 -0.001 0.000 0.209 95 Q C 0.452 176.274 176.000 -0.297 0.000 0.961 95 Q CA 0.349 55.987 55.803 -0.275 0.000 0.945 95 Q CB 0.107 28.641 28.738 -0.340 0.000 1.012 95 Q HN 0.510 nan 8.270 nan 0.000 0.515 96 I N -1.731 118.662 120.570 -0.296 0.000 2.608 96 I HA 0.535 4.704 4.170 -0.001 0.000 0.295 96 I C -0.870 175.172 176.117 -0.124 0.000 1.049 96 I CA -1.243 59.924 61.300 -0.221 0.000 1.063 96 I CB 1.945 39.786 38.000 -0.264 0.000 1.248 96 I HN -0.177 nan 8.210 nan 0.000 0.424 97 K N 4.176 124.528 120.400 -0.079 0.000 2.443 97 K HA 0.681 5.000 4.320 -0.001 0.000 0.251 97 K C -3.133 173.457 176.600 -0.017 0.000 0.972 97 K CA -1.853 54.409 56.287 -0.041 0.000 0.833 97 K CB 1.987 34.465 32.500 -0.036 0.000 1.317 97 K HN 0.305 nan 8.250 nan 0.000 0.441 98 P HA -0.098 nan 4.420 nan 0.000 0.266 98 P C -0.393 176.912 177.300 0.009 0.000 1.186 98 P CA 0.671 63.780 63.100 0.015 0.000 0.767 98 P CB 0.201 31.914 31.700 0.021 0.000 0.820 99 D N -1.967 118.443 120.400 0.017 0.000 2.748 99 D HA -0.106 4.533 4.640 -0.001 0.000 0.189 99 D C -0.241 176.068 176.300 0.015 0.000 0.982 99 D CA 1.226 55.235 54.000 0.016 0.000 1.017 99 D CB -1.451 39.355 40.800 0.010 0.000 1.076 99 D HN 0.389 nan 8.370 nan 0.000 0.446 100 T N 1.548 116.107 114.554 0.009 0.000 2.888 100 T HA 0.249 4.598 4.350 -0.001 0.000 0.301 100 T C 0.659 175.377 174.700 0.030 0.000 1.001 100 T CA 0.205 62.309 62.100 0.007 0.000 1.147 100 T CB 0.977 69.833 68.868 -0.019 0.000 0.931 100 T HN 0.046 nan 8.240 nan 0.000 0.541 101 R N 2.887 123.411 120.500 0.039 0.000 2.255 101 R HA 0.589 4.928 4.340 -0.001 0.000 0.326 101 R C 0.157 176.509 176.300 0.087 0.000 0.986 101 R CA -0.544 55.593 56.100 0.062 0.000 0.847 101 R CB 0.801 31.134 30.300 0.055 0.000 1.111 101 R HN 0.655 nan 8.270 nan 0.000 0.452 102 I N -1.202 119.443 120.570 0.126 0.000 2.957 102 I HA 0.817 4.986 4.170 -0.001 0.000 0.310 102 I C -0.776 175.472 176.117 0.219 0.000 1.063 102 I CA -1.211 60.202 61.300 0.189 0.000 1.033 102 I CB 2.326 40.485 38.000 0.265 0.000 1.230 102 I HN 0.523 nan 8.210 nan 0.000 0.447 103 A N 5.284 128.273 122.820 0.281 0.000 2.317 103 A HA 0.777 5.096 4.320 -0.001 0.000 0.327 103 A C -0.690 177.143 177.584 0.415 0.000 1.178 103 A CA -0.704 51.532 52.037 0.331 0.000 0.817 103 A CB 0.934 20.207 19.000 0.455 0.000 1.189 103 A HN 0.718 nan 8.150 nan 0.000 0.489 104 L N 2.590 124.016 121.223 0.339 0.000 2.298 104 L HA 0.522 4.861 4.340 -0.001 0.000 0.284 104 L C -1.095 175.944 176.870 0.283 0.000 1.013 104 L CA -0.243 54.807 54.840 0.350 0.000 0.824 104 L CB 0.725 42.955 42.059 0.285 0.000 1.221 104 L HN 0.605 nan 8.230 nan 0.000 0.418 105 F N 1.351 121.336 119.950 0.058 0.000 2.509 105 F HA 0.510 5.036 4.527 -0.002 0.000 0.334 105 F C 0.344 176.134 175.800 -0.015 0.000 1.060 105 F CA -0.524 57.481 58.000 0.008 0.000 0.997 105 F CB 1.626 40.612 39.000 -0.024 0.000 1.271 105 F HN 0.398 nan 8.300 nan 0.000 0.488 106 Q N 0.844 120.727 119.800 0.139 0.000 2.337 106 Q HA 0.275 4.614 4.340 -0.001 0.000 0.270 106 Q C -1.114 174.931 176.000 0.075 0.000 1.043 106 Q CA -0.531 55.309 55.803 0.062 0.000 0.794 106 Q CB 1.384 30.118 28.738 -0.007 0.000 1.281 106 Q HN 0.737 nan 8.270 nan 0.000 0.446 107 D N 3.164 123.587 120.400 0.038 0.000 2.983 107 D HA -0.220 4.419 4.640 -0.001 0.000 0.225 107 D C -0.695 175.629 176.300 0.040 0.000 1.174 107 D CA 1.771 55.788 54.000 0.029 0.000 0.831 107 D CB -0.952 39.871 40.800 0.039 0.000 1.104 107 D HN 0.954 nan 8.370 nan 0.000 0.421 108 D N -1.444 118.988 120.400 0.053 0.000 3.059 108 D HA -0.239 4.400 4.640 -0.001 0.000 0.220 108 D C 1.016 177.400 176.300 0.139 0.000 1.169 108 D CA 1.663 55.676 54.000 0.022 0.000 0.902 108 D CB -0.821 39.942 40.800 -0.062 0.000 1.116 108 D HN 0.732 nan 8.370 nan 0.000 0.417 109 E N -0.771 119.603 120.200 0.290 0.000 2.641 109 E HA 0.169 4.518 4.350 -0.001 0.000 0.201 109 E C -0.188 176.552 176.600 0.233 0.000 0.921 109 E CA -0.118 56.451 56.400 0.281 0.000 1.551 109 E CB 0.790 30.565 29.700 0.125 0.000 1.640 109 E HN 0.245 nan 8.360 nan 0.000 0.906 110 I N 4.576 125.212 120.570 0.110 0.000 2.354 110 I HA 0.349 4.518 4.170 -0.001 0.000 0.286 110 I C -2.389 173.457 176.117 -0.452 0.000 1.007 110 I CA -2.462 58.762 61.300 -0.127 0.000 1.167 110 I CB 1.550 39.505 38.000 -0.076 0.000 1.320 110 I HN -0.059 nan 8.210 nan 0.000 0.458 111 P HA 0.127 nan 4.420 nan 0.000 0.276 111 P C 0.281 177.345 177.300 -0.394 0.000 1.243 111 P CA -0.047 62.485 63.100 -0.948 0.000 0.768 111 P CB 1.675 32.864 31.700 -0.852 0.000 0.856 112 I N 1.876 122.288 120.570 -0.265 0.000 2.729 112 I HA 0.249 4.418 4.170 -0.001 0.000 0.256 112 I C 1.257 177.336 176.117 -0.063 0.000 1.115 112 I CA 0.540 61.770 61.300 -0.116 0.000 1.446 112 I CB -0.857 37.121 38.000 -0.037 0.000 1.176 112 I HN 0.364 nan 8.210 nan 0.000 0.446 113 A N 0.451 123.258 122.820 -0.021 0.000 2.564 113 A HA 0.672 4.991 4.320 -0.001 0.000 0.291 113 A C -1.537 176.086 177.584 0.065 0.000 1.102 113 A CA -0.404 51.645 52.037 0.020 0.000 0.660 113 A CB 1.421 20.450 19.000 0.048 0.000 1.283 113 A HN -0.053 nan 8.150 nan 0.000 0.430 114 I N 1.461 122.073 120.570 0.069 0.000 2.406 114 I HA 0.403 4.572 4.170 -0.001 0.000 0.290 114 I C -0.853 175.325 176.117 0.102 0.000 0.999 114 I CA -0.499 60.858 61.300 0.094 0.000 1.124 114 I CB 1.452 39.494 38.000 0.070 0.000 1.289 114 I HN 0.587 nan 8.210 nan 0.000 0.441 115 L N 6.368 127.669 121.223 0.130 0.000 2.296 115 L HA 0.499 4.838 4.340 -0.001 0.000 0.286 115 L C -0.371 176.560 176.870 0.103 0.000 1.023 115 L CA -0.031 54.888 54.840 0.131 0.000 0.812 115 L CB 1.617 43.778 42.059 0.171 0.000 1.223 115 L HN 0.560 nan 8.230 nan 0.000 0.421 116 T N 4.875 119.478 114.554 0.082 0.000 2.762 116 T HA 0.269 4.619 4.350 -0.001 0.000 0.303 116 T C 0.290 175.028 174.700 0.064 0.000 0.977 116 T CA -0.296 61.842 62.100 0.062 0.000 0.961 116 T CB 0.670 69.565 68.868 0.046 0.000 0.944 116 T HN 0.404 nan 8.240 nan 0.000 0.481 117 V N 5.172 125.121 119.914 0.059 0.000 2.509 117 V HA -0.017 4.102 4.120 -0.001 0.000 0.297 117 V C 1.295 177.420 176.094 0.053 0.000 1.014 117 V CA 0.585 62.919 62.300 0.055 0.000 1.127 117 V CB 0.488 32.332 31.823 0.035 0.000 0.925 117 V HN 0.909 nan 8.190 nan 0.000 0.480 118 Q N 2.212 122.054 119.800 0.069 0.000 2.324 118 Q HA 0.123 4.462 4.340 -0.001 0.000 0.207 118 Q C 0.091 176.137 176.000 0.077 0.000 0.928 118 Q CA 0.765 56.606 55.803 0.064 0.000 0.890 118 Q CB 0.578 29.357 28.738 0.067 0.000 1.001 118 Q HN 1.037 nan 8.270 nan 0.000 0.517 119 D N -1.957 118.512 120.400 0.114 0.000 2.671 119 D HA 0.355 4.995 4.640 -0.001 0.000 0.273 119 D C -1.201 175.209 176.300 0.183 0.000 1.264 119 D CA -0.758 53.333 54.000 0.152 0.000 0.788 119 D CB 1.279 42.187 40.800 0.180 0.000 1.324 119 D HN -0.183 nan 8.370 nan 0.000 0.424 120 V N 0.742 120.773 119.914 0.196 0.000 2.623 120 V HA 0.738 4.857 4.120 -0.001 0.000 0.304 120 V C -1.298 174.942 176.094 0.243 0.000 1.054 120 V CA -0.710 61.662 62.300 0.121 0.000 0.882 120 V CB 1.144 32.989 31.823 0.038 0.000 1.002 120 V HN 0.741 nan 8.190 nan 0.000 0.424 121 Y N 1.361 121.699 120.300 0.064 0.000 2.609 121 Y HA 0.703 5.253 4.550 -0.002 0.000 0.336 121 Y C -0.850 174.994 175.900 -0.093 0.000 1.129 121 Y CA -1.423 56.686 58.100 0.015 0.000 1.040 121 Y CB 1.887 40.328 38.460 -0.032 0.000 1.310 121 Y HN 0.478 nan 8.280 nan 0.000 0.460 122 K N 4.538 124.897 120.400 -0.067 0.000 2.347 122 K HA 0.447 4.766 4.320 -0.001 0.000 0.262 122 K C -2.733 173.686 176.600 -0.302 0.000 1.052 122 K CA -2.002 54.006 56.287 -0.465 0.000 0.946 122 K CB 0.937 33.110 32.500 -0.545 0.000 1.220 122 K HN 0.625 nan 8.250 nan 0.000 0.450 123 P HA 0.035 nan 4.420 nan 0.000 0.274 123 P C -1.138 176.040 177.300 -0.203 0.000 1.231 123 P CA -0.334 62.585 63.100 -0.301 0.000 0.790 123 P CB 0.692 31.973 31.700 -0.700 0.000 0.951 124 N N 1.899 120.576 118.700 -0.039 0.000 2.448 124 N HA 0.023 4.762 4.740 -0.001 0.000 0.250 124 N C 0.866 176.385 175.510 0.014 0.000 1.136 124 N CA -0.412 52.634 53.050 -0.008 0.000 0.953 124 N CB 0.150 38.656 38.487 0.032 0.000 1.251 124 N HN 0.234 nan 8.380 nan 0.000 0.502 125 K N 1.408 121.783 120.400 -0.041 0.000 2.442 125 K HA -0.064 4.255 4.320 -0.001 0.000 0.198 125 K C 1.204 177.859 176.600 0.090 0.000 1.042 125 K CA 0.894 57.120 56.287 -0.103 0.000 0.958 125 K CB 0.241 32.472 32.500 -0.449 0.000 0.766 125 K HN 0.511 nan 8.250 nan 0.000 0.474 126 T N 1.389 116.068 114.554 0.208 0.000 2.896 126 T HA 0.040 4.390 4.350 -0.001 0.000 0.263 126 T C 1.824 176.615 174.700 0.152 0.000 1.050 126 T CA 0.656 62.916 62.100 0.267 0.000 1.140 126 T CB 0.024 69.005 68.868 0.187 0.000 0.877 126 T HN 0.128 nan 8.240 nan 0.000 0.457 127 I N 1.048 121.673 120.570 0.092 0.000 2.202 127 I HA -0.128 4.041 4.170 -0.001 0.000 0.242 127 I C 2.706 178.832 176.117 0.014 0.000 1.091 127 I CA 1.360 62.687 61.300 0.045 0.000 1.368 127 I CB -0.396 37.620 38.000 0.026 0.000 1.058 127 I HN 0.330 nan 8.210 nan 0.000 0.410 128 E N 1.589 121.808 120.200 0.032 0.000 2.058 128 E HA -0.263 4.086 4.350 -0.001 0.000 0.194 128 E C 2.284 178.857 176.600 -0.044 0.000 0.997 128 E CA 1.544 57.930 56.400 -0.024 0.000 0.801 128 E CB -0.059 29.716 29.700 0.126 0.000 0.746 128 E HN 0.446 nan 8.360 nan 0.000 0.450 129 A N 1.303 124.190 122.820 0.113 0.000 1.892 129 A HA -0.251 4.068 4.320 -0.001 0.000 0.218 129 A C 2.192 179.858 177.584 0.136 0.000 1.188 129 A CA 1.802 53.983 52.037 0.239 0.000 0.631 129 A CB -0.630 18.596 19.000 0.377 0.000 0.822 129 A HN 0.307 nan 8.150 nan 0.000 0.447 130 E N -0.141 120.112 120.200 0.088 0.000 2.016 130 E HA -0.139 4.210 4.350 -0.001 0.000 0.190 130 E C 2.097 178.688 176.600 -0.015 0.000 0.985 130 E CA 1.061 57.491 56.400 0.050 0.000 0.802 130 E CB -0.216 29.512 29.700 0.048 0.000 0.762 130 E HN 0.425 nan 8.360 nan 0.000 0.448 131 K N 0.366 120.730 120.400 -0.061 0.000 2.002 131 K HA -0.083 4.236 4.320 -0.001 0.000 0.209 131 K C 2.325 178.812 176.600 -0.189 0.000 1.048 131 K CA 1.026 57.248 56.287 -0.108 0.000 0.930 131 K CB -0.759 31.667 32.500 -0.123 0.000 0.714 131 K HN 0.069 nan 8.250 nan 0.000 0.438 132 V N 0.217 119.914 119.914 -0.362 0.000 2.379 132 V HA -0.112 4.007 4.120 -0.001 0.000 0.243 132 V C 1.675 177.408 176.094 -0.602 0.000 1.035 132 V CA 1.373 63.293 62.300 -0.633 0.000 1.035 132 V CB -0.435 30.700 31.823 -1.147 0.000 0.673 132 V HN 0.060 nan 8.190 nan 0.000 0.457 133 F N -0.211 119.677 119.950 -0.103 0.000 2.641 133 F HA 0.440 4.966 4.527 -0.002 0.000 0.302 133 F C 1.427 177.167 175.800 -0.100 0.000 1.098 133 F CA -0.551 57.319 58.000 -0.215 0.000 1.318 133 F CB -0.475 38.190 39.000 -0.559 0.000 1.035 133 F HN 0.000 nan 8.300 nan 0.000 0.551 134 R N -0.734 119.806 120.500 0.066 0.000 3.840 134 R HA -0.223 4.117 4.340 -0.001 0.000 0.464 134 R C 1.587 177.941 176.300 0.090 0.000 0.986 134 R CA 0.579 56.710 56.100 0.051 0.000 1.305 134 R CB -2.020 28.264 30.300 -0.028 0.000 1.950 134 R HN 0.571 nan 8.270 nan 0.000 0.526 135 G N 0.350 109.229 108.800 0.133 0.000 2.253 135 G HA2 -0.341 3.618 3.960 -0.001 0.000 0.251 135 G HA3 -0.341 3.618 3.960 -0.001 0.000 0.251 135 G C -0.122 174.882 174.900 0.173 0.000 0.998 135 G CA 0.309 45.496 45.100 0.145 0.000 0.621 135 G HN 0.469 nan 8.290 nan 0.000 0.524 136 D N 2.093 122.631 120.400 0.230 0.000 2.382 136 D HA 0.228 4.867 4.640 -0.001 0.000 0.259 136 D C 0.011 176.475 176.300 0.275 0.000 1.224 136 D CA -0.889 53.272 54.000 0.269 0.000 0.894 136 D CB 1.347 42.410 40.800 0.438 0.000 1.127 136 D HN 0.239 nan 8.370 nan 0.000 0.487 137 P HA -0.149 nan 4.420 nan 0.000 0.222 137 P C 0.478 177.893 177.300 0.192 0.000 1.142 137 P CA 1.024 64.214 63.100 0.150 0.000 0.788 137 P CB 0.361 32.097 31.700 0.060 0.000 0.767 138 E N -1.740 118.623 120.200 0.272 0.000 2.474 138 E HA -0.035 4.315 4.350 -0.001 0.000 0.194 138 E C 0.521 177.273 176.600 0.252 0.000 1.041 138 E CA -0.274 56.307 56.400 0.301 0.000 0.874 138 E CB -0.386 29.540 29.700 0.376 0.000 0.914 138 E HN 0.503 nan 8.360 nan 0.000 0.498 139 H N 1.417 120.508 119.070 0.036 0.000 2.975 139 H HA -0.002 4.553 4.556 -0.001 0.000 0.303 139 H C -1.727 173.486 175.328 -0.191 0.000 1.023 139 H CA -1.571 54.264 56.048 -0.355 0.000 1.473 139 H CB 1.103 30.733 29.762 -0.220 0.000 1.498 139 H HN -0.127 nan 8.280 nan 0.000 0.549 140 P HA -0.245 nan 4.420 nan 0.000 0.218 140 P C 0.749 178.077 177.300 0.046 0.000 1.146 140 P CA 1.893 65.018 63.100 0.042 0.000 0.820 140 P CB 0.173 31.856 31.700 -0.028 0.000 0.778 141 A N -1.245 121.563 122.820 -0.021 0.000 1.970 141 A HA -0.075 4.244 4.320 -0.001 0.000 0.216 141 A C 2.122 179.457 177.584 -0.416 0.000 1.170 141 A CA 0.984 52.689 52.037 -0.552 0.000 0.645 141 A CB -1.244 16.758 19.000 -1.664 0.000 0.816 141 A HN 0.126 nan 8.150 nan 0.000 0.447 142 I N -1.019 119.434 120.570 -0.195 0.000 2.406 142 I HA -0.142 4.027 4.170 -0.001 0.000 0.249 142 I C 2.757 179.033 176.117 0.264 0.000 1.122 142 I CA 1.178 62.547 61.300 0.116 0.000 1.431 142 I CB -0.216 37.928 38.000 0.239 0.000 1.087 142 I HN 0.398 nan 8.210 nan 0.000 0.424 143 S N 0.548 116.363 115.700 0.193 0.000 2.353 143 S HA -0.282 4.187 4.470 -0.001 0.000 0.222 143 S C 2.200 176.903 174.600 0.173 0.000 1.035 143 S CA 1.563 59.878 58.200 0.192 0.000 1.025 143 S CB -0.459 62.825 63.200 0.141 0.000 0.902 143 S HN 0.471 nan 8.310 nan 0.000 0.440 144 Y N 1.368 121.689 120.300 0.034 0.000 2.128 144 Y HA -0.120 4.429 4.550 -0.002 0.000 0.284 144 Y C 2.183 178.087 175.900 0.007 0.000 1.154 144 Y CA 1.855 59.964 58.100 0.015 0.000 1.149 144 Y CB -0.535 37.907 38.460 -0.029 0.000 0.976 144 Y HN 0.352 nan 8.280 nan 0.000 0.505 145 L N -0.510 120.814 121.223 0.169 0.000 2.043 145 L HA -0.266 4.073 4.340 -0.001 0.000 0.212 145 L C 1.775 178.517 176.870 -0.214 0.000 1.075 145 L CA 2.028 56.866 54.840 -0.003 0.000 0.752 145 L CB -0.990 41.011 42.059 -0.096 0.000 0.891 145 L HN 0.274 nan 8.230 nan 0.000 0.432 146 F N -0.830 119.153 119.950 0.055 0.000 2.274 146 F HA 0.042 4.568 4.527 -0.001 0.000 0.288 146 F C 2.207 177.996 175.800 -0.019 0.000 1.069 146 F CA 1.333 59.346 58.000 0.023 0.000 1.343 146 F CB -0.442 38.578 39.000 0.032 0.000 1.089 146 F HN 0.140 nan 8.300 nan 0.000 0.517 147 N N -0.394 118.385 118.700 0.133 0.000 2.416 147 N HA -0.036 4.703 4.740 -0.001 0.000 0.177 147 N C 1.206 176.660 175.510 -0.094 0.000 1.036 147 N CA 0.775 53.842 53.050 0.028 0.000 0.901 147 N CB 0.362 38.867 38.487 0.030 0.000 0.976 147 N HN 0.067 nan 8.380 nan 0.000 0.444 148 V N 0.198 119.954 119.914 -0.263 0.000 3.090 148 V HA 0.263 4.382 4.120 -0.001 0.000 0.237 148 V C 0.848 176.734 176.094 -0.346 0.000 1.209 148 V CA -0.029 62.014 62.300 -0.428 0.000 1.209 148 V CB -0.222 31.041 31.823 -0.933 0.000 0.971 148 V HN 0.148 nan 8.190 nan 0.000 0.477 149 A N 1.251 123.872 122.820 -0.333 0.000 2.498 149 A HA 0.530 4.850 4.320 -0.001 0.000 0.239 149 A C 0.918 178.515 177.584 0.021 0.000 1.068 149 A CA 0.626 52.644 52.037 -0.031 0.000 0.766 149 A CB -0.275 18.814 19.000 0.148 0.000 1.003 149 A HN 0.504 nan 8.150 nan 0.000 0.497 150 G N 0.353 109.202 108.800 0.082 0.000 2.594 150 G HA2 0.333 4.292 3.960 -0.001 0.000 0.243 150 G HA3 0.333 4.292 3.960 -0.001 0.000 0.243 150 G C -0.048 174.870 174.900 0.029 0.000 1.229 150 G CA -0.160 44.991 45.100 0.086 0.000 0.843 150 G HN 0.672 nan 8.290 nan 0.000 0.578 151 D N -0.931 119.469 120.400 -0.000 0.000 2.349 151 D HA 0.083 4.722 4.640 -0.001 0.000 0.215 151 D C -0.327 175.618 176.300 -0.592 0.000 1.016 151 D CA 0.832 54.680 54.000 -0.254 0.000 0.870 151 D CB 0.155 40.813 40.800 -0.236 0.000 0.917 151 D HN 0.343 nan 8.370 nan 0.000 0.524 152 Y N -0.322 119.865 120.300 -0.189 0.000 2.376 152 Y HA 0.326 4.875 4.550 -0.001 0.000 0.340 152 Y C -0.312 175.436 175.900 -0.254 0.000 0.965 152 Y CA -1.031 56.906 58.100 -0.273 0.000 1.078 152 Y CB 1.133 39.489 38.460 -0.174 0.000 1.193 152 Y HN -0.150 nan 8.280 nan 0.000 0.452 153 Y N 2.309 122.252 120.300 -0.595 0.000 2.320 153 Y HA 0.536 5.085 4.550 -0.002 0.000 0.334 153 Y C -0.325 175.121 175.900 -0.757 0.000 1.055 153 Y CA -1.276 56.344 58.100 -0.800 0.000 1.143 153 Y CB 1.508 39.229 38.460 -1.233 0.000 1.193 153 Y HN 0.178 nan 8.280 nan 0.000 0.477 154 V N 3.449 123.181 119.914 -0.303 0.000 2.328 154 V HA 0.402 4.521 4.120 -0.001 0.000 0.278 154 V C 0.375 176.440 176.094 -0.048 0.000 1.021 154 V CA -0.714 61.484 62.300 -0.169 0.000 0.838 154 V CB 1.060 32.782 31.823 -0.168 0.000 0.999 154 V HN 0.942 nan 8.190 nan 0.000 0.447 155 G N 2.704 111.578 108.800 0.123 0.000 2.377 155 G HA2 0.744 4.703 3.960 -0.001 0.000 0.299 155 G HA3 0.744 4.703 3.960 -0.001 0.000 0.299 155 G C -0.034 174.957 174.900 0.152 0.000 1.150 155 G CA 0.001 45.223 45.100 0.204 0.000 0.847 155 G HN 1.207 nan 8.290 nan 0.000 0.501 156 G N -0.333 108.562 108.800 0.159 0.000 2.387 156 G HA2 0.562 4.521 3.960 -0.001 0.000 0.294 156 G HA3 0.562 4.521 3.960 -0.001 0.000 0.294 156 G C -0.462 174.501 174.900 0.104 0.000 1.509 156 G CA -0.045 45.127 45.100 0.120 0.000 0.806 156 G HN 1.308 nan 8.290 nan 0.000 0.546 157 S N -0.273 115.467 115.700 0.066 0.000 2.565 157 S HA 0.712 5.181 4.470 -0.001 0.000 0.274 157 S C -0.264 174.363 174.600 0.045 0.000 1.309 157 S CA -0.577 57.644 58.200 0.035 0.000 1.043 157 S CB 1.637 64.847 63.200 0.017 0.000 0.939 157 S HN 0.587 nan 8.310 nan 0.000 0.504 158 L N 1.880 123.112 121.223 0.016 0.000 2.334 158 L HA 0.571 4.910 4.340 -0.001 0.000 0.275 158 L C 0.172 177.044 176.870 0.004 0.000 1.036 158 L CA -0.188 54.664 54.840 0.021 0.000 0.807 158 L CB 1.296 43.343 42.059 -0.020 0.000 1.231 158 L HN 0.855 nan 8.230 nan 0.000 0.438 159 E N 1.193 121.401 120.200 0.014 0.000 2.234 159 E HA 0.665 5.015 4.350 -0.001 0.000 0.266 159 E C -1.126 175.472 176.600 -0.004 0.000 0.877 159 E CA -0.881 55.520 56.400 0.001 0.000 0.758 159 E CB 2.066 31.772 29.700 0.009 0.000 1.170 159 E HN 0.679 nan 8.360 nan 0.000 0.415 160 A N 3.383 126.191 122.820 -0.021 0.000 2.331 160 A HA 0.413 4.732 4.320 -0.001 0.000 0.283 160 A C 0.342 177.905 177.584 -0.035 0.000 1.142 160 A CA -0.152 51.867 52.037 -0.030 0.000 0.812 160 A CB 0.232 19.206 19.000 -0.042 0.000 1.074 160 A HN 0.765 nan 8.150 nan 0.000 0.497 161 I N -0.049 120.493 120.570 -0.046 0.000 3.194 161 I HA 0.136 4.305 4.170 -0.001 0.000 0.271 161 I C 0.777 176.854 176.117 -0.067 0.000 1.150 161 I CA 0.536 61.801 61.300 -0.059 0.000 1.440 161 I CB 0.273 38.222 38.000 -0.084 0.000 1.276 161 I HN 0.878 nan 8.210 nan 0.000 0.457 162 Q N 0.365 120.121 119.800 -0.073 0.000 2.721 162 Q HA 0.385 4.725 4.340 -0.001 0.000 0.282 162 Q C -1.673 174.282 176.000 -0.076 0.000 0.932 162 Q CA -0.763 54.995 55.803 -0.075 0.000 0.816 162 Q CB 1.599 30.285 28.738 -0.088 0.000 1.506 162 Q HN 0.038 nan 8.270 nan 0.000 0.399 163 L N 1.131 122.311 121.223 -0.072 0.000 2.436 163 L HA 0.455 4.794 4.340 -0.001 0.000 0.265 163 L C -2.033 174.773 176.870 -0.107 0.000 1.168 163 L CA -2.044 52.758 54.840 -0.064 0.000 0.815 163 L CB 0.240 42.281 42.059 -0.032 0.000 1.109 163 L HN 0.505 nan 8.230 nan 0.000 0.462 164 P HA -0.073 nan 4.420 nan 0.000 0.261 164 P C -0.766 176.236 177.300 -0.497 0.000 1.173 164 P CA 0.004 62.955 63.100 -0.247 0.000 0.760 164 P CB 0.357 31.940 31.700 -0.195 0.000 0.783 165 Q N 3.195 122.729 119.800 -0.443 0.000 2.300 165 Q HA 0.073 4.412 4.340 -0.001 0.000 0.280 165 Q C -0.889 174.685 176.000 -0.710 0.000 1.033 165 Q CA 0.965 56.466 55.803 -0.504 0.000 0.903 165 Q CB 0.023 28.538 28.738 -0.372 0.000 1.195 165 Q HN 0.478 nan 8.270 nan 0.000 0.386 166 H N 2.682 121.543 119.070 -0.347 0.000 2.856 166 H HA 0.245 4.800 4.556 -0.001 0.000 0.355 166 H C -0.967 174.158 175.328 -0.337 0.000 1.079 166 H CA -0.556 55.360 56.048 -0.220 0.000 1.240 166 H CB 1.021 30.735 29.762 -0.081 0.000 1.701 166 H HN 0.712 nan 8.280 nan 0.000 0.527 167 Y N -0.172 120.192 120.300 0.107 0.000 2.458 167 Y HA 0.040 4.589 4.550 -0.001 0.000 0.254 167 Y C 0.357 176.253 175.900 -0.007 0.000 1.120 167 Y CA -0.456 57.666 58.100 0.037 0.000 1.282 167 Y CB 0.550 39.013 38.460 0.004 0.000 1.109 167 Y HN 0.617 nan 8.280 nan 0.000 0.526 168 D N -1.650 118.811 120.400 0.101 0.000 2.193 168 D HA 0.053 4.692 4.640 -0.001 0.000 0.249 168 D C -0.340 175.898 176.300 -0.104 0.000 1.034 168 D CA -0.899 53.010 54.000 -0.152 0.000 0.902 168 D CB 0.555 41.210 40.800 -0.242 0.000 1.182 168 D HN 0.150 nan 8.370 nan 0.000 0.436 169 Y N -1.897 118.451 120.300 0.081 0.000 3.108 169 Y HA -0.164 4.385 4.550 -0.001 0.000 0.208 169 Y C -1.684 174.222 175.900 0.009 0.000 1.245 169 Y CA 0.081 58.201 58.100 0.034 0.000 1.171 169 Y CB -2.424 36.048 38.460 0.019 0.000 1.331 169 Y HN 0.452 nan 8.280 nan 0.000 0.534 170 P HA -0.154 nan 4.420 nan 0.000 0.218 170 P C 1.861 179.197 177.300 0.060 0.000 1.148 170 P CA 2.179 65.319 63.100 0.066 0.000 0.822 170 P CB 0.094 31.821 31.700 0.046 0.000 0.784 171 G N -0.453 108.389 108.800 0.070 0.000 2.408 171 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.217 171 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.217 171 G C 1.276 176.197 174.900 0.035 0.000 1.150 171 G CA 0.416 45.543 45.100 0.045 0.000 0.776 171 G HN 0.249 nan 8.290 nan 0.000 0.542 172 L N -0.389 120.861 121.223 0.046 0.000 2.558 172 L HA 0.252 4.591 4.340 -0.001 0.000 0.225 172 L C 1.269 178.148 176.870 0.015 0.000 1.128 172 L CA -0.079 54.762 54.840 0.003 0.000 0.868 172 L CB 0.231 42.262 42.059 -0.046 0.000 1.006 172 L HN -0.004 nan 8.230 nan 0.000 0.454 173 R N 1.464 121.976 120.500 0.020 0.000 3.701 173 R HA 0.127 4.466 4.340 -0.001 0.000 0.210 173 R C -0.390 175.931 176.300 0.035 0.000 1.598 173 R CA -0.268 55.829 56.100 -0.006 0.000 1.427 173 R CB 0.012 30.275 30.300 -0.061 0.000 1.339 173 R HN -0.039 nan 8.270 nan 0.000 0.720 174 K N 1.697 122.145 120.400 0.080 0.000 2.298 174 K HA 0.072 4.391 4.320 -0.001 0.000 0.280 174 K C 0.800 177.487 176.600 0.146 0.000 1.032 174 K CA -0.069 56.267 56.287 0.082 0.000 0.958 174 K CB 0.922 33.467 32.500 0.074 0.000 0.978 174 K HN 0.346 nan 8.250 nan 0.000 0.472 175 T N -0.375 114.198 114.554 0.033 0.000 2.816 175 T HA 0.180 4.529 4.350 -0.001 0.000 0.282 175 T C -1.702 172.881 174.700 -0.195 0.000 0.993 175 T CA -1.646 60.423 62.100 -0.052 0.000 0.994 175 T CB 0.791 69.593 68.868 -0.110 0.000 1.025 175 T HN 0.131 nan 8.240 nan 0.000 0.529 176 P HA -0.111 nan 4.420 nan 0.000 0.215 176 P C 1.734 178.858 177.300 -0.293 0.000 1.157 176 P CA 1.869 64.606 63.100 -0.604 0.000 0.874 176 P CB -0.369 30.919 31.700 -0.686 0.000 0.790 177 A N -0.697 121.985 122.820 -0.231 0.000 1.902 177 A HA -0.274 4.045 4.320 -0.001 0.000 0.217 177 A C 2.259 179.738 177.584 -0.174 0.000 1.181 177 A CA 1.753 53.689 52.037 -0.168 0.000 0.623 177 A CB -1.362 17.558 19.000 -0.132 0.000 0.818 177 A HN 0.201 nan 8.150 nan 0.000 0.443 178 Q N -0.746 118.953 119.800 -0.168 0.000 2.046 178 Q HA -0.046 4.293 4.340 -0.001 0.000 0.200 178 Q C 2.154 177.994 176.000 -0.267 0.000 0.975 178 Q CA 1.283 56.986 55.803 -0.166 0.000 0.836 178 Q CB -0.251 28.423 28.738 -0.107 0.000 0.896 178 Q HN 0.656 nan 8.270 nan 0.000 0.428 179 L N 0.381 121.417 121.223 -0.312 0.000 2.083 179 L HA -0.202 4.137 4.340 -0.001 0.000 0.209 179 L C 2.357 178.709 176.870 -0.864 0.000 1.083 179 L CA 1.275 55.745 54.840 -0.615 0.000 0.752 179 L CB -0.126 41.638 42.059 -0.492 0.000 0.899 179 L HN 0.220 nan 8.230 nan 0.000 0.433 180 R N -0.486 119.728 120.500 -0.475 0.000 2.096 180 R HA -0.174 4.165 4.340 -0.001 0.000 0.235 180 R C 2.192 178.345 176.300 -0.245 0.000 1.127 180 R CA 1.158 57.086 56.100 -0.287 0.000 0.968 180 R CB -0.237 29.992 30.300 -0.119 0.000 0.861 180 R HN 0.352 nan 8.270 nan 0.000 0.440 181 L N 0.395 121.466 121.223 -0.255 0.000 2.156 181 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 181 L C 2.336 179.052 176.870 -0.256 0.000 1.095 181 L CA 0.911 55.634 54.840 -0.195 0.000 0.770 181 L CB -0.244 41.722 42.059 -0.155 0.000 0.914 181 L HN 0.159 nan 8.230 nan 0.000 0.439 182 E N -0.115 119.834 120.200 -0.419 0.000 2.072 182 E HA -0.166 4.183 4.350 -0.001 0.000 0.191 182 E C 2.185 178.464 176.600 -0.535 0.000 0.985 182 E CA 1.269 57.355 56.400 -0.524 0.000 0.801 182 E CB -0.107 29.112 29.700 -0.802 0.000 0.750 182 E HN 0.345 nan 8.360 nan 0.000 0.452 183 F N 1.480 121.125 119.950 -0.509 0.000 2.113 183 F HA -0.109 4.418 4.527 -0.001 0.000 0.297 183 F C 2.623 178.248 175.800 -0.292 0.000 1.103 183 F CA 0.816 58.547 58.000 -0.448 0.000 1.248 183 F CB -1.133 37.782 39.000 -0.142 0.000 0.999 183 F HN 0.089 nan 8.300 nan 0.000 0.475 184 Q N 0.634 120.439 119.800 0.009 0.000 2.096 184 Q HA -0.210 4.129 4.340 -0.001 0.000 0.204 184 Q C 2.302 178.267 176.000 -0.059 0.000 0.982 184 Q CA 2.408 58.207 55.803 -0.007 0.000 0.850 184 Q CB -0.220 28.505 28.738 -0.021 0.000 0.901 184 Q HN 0.476 nan 8.270 nan 0.000 0.422 185 S N -0.451 115.176 115.700 -0.120 0.000 2.447 185 S HA -0.073 4.396 4.470 -0.001 0.000 0.233 185 S C 1.526 176.050 174.600 -0.126 0.000 1.006 185 S CA 0.689 58.822 58.200 -0.112 0.000 0.957 185 S CB -0.107 63.018 63.200 -0.125 0.000 0.773 185 S HN 0.374 nan 8.310 nan 0.000 0.507 186 R N 0.483 120.850 120.500 -0.223 0.000 2.362 186 R HA 0.282 4.621 4.340 -0.001 0.000 0.227 186 R C 0.135 176.433 176.300 -0.003 0.000 0.905 186 R CA 0.171 56.128 56.100 -0.239 0.000 1.067 186 R CB -0.068 29.764 30.300 -0.780 0.000 1.078 186 R HN 0.452 nan 8.270 nan 0.000 0.516 187 Q N -0.728 119.091 119.800 0.032 0.000 2.494 187 Q HA -0.178 4.161 4.340 -0.001 0.000 0.272 187 Q C -1.253 174.913 176.000 0.277 0.000 1.145 187 Q CA 0.480 56.361 55.803 0.130 0.000 0.943 187 Q CB -1.209 27.595 28.738 0.110 0.000 1.338 187 Q HN 0.282 nan 8.270 nan 0.000 0.492 188 W N 1.596 122.888 121.300 -0.014 0.000 2.335 188 W HA 0.243 4.903 4.660 -0.001 0.000 0.306 188 W C 0.793 177.259 176.519 -0.088 0.000 1.216 188 W CA -0.222 57.073 57.345 -0.082 0.000 1.237 188 W CB 0.355 29.709 29.460 -0.176 0.000 1.243 188 W HN 0.227 nan 8.180 nan 0.000 0.493 189 D N 0.707 121.169 120.400 0.103 0.000 2.527 189 D HA 0.114 4.754 4.640 -0.001 0.000 0.224 189 D C 0.114 176.422 176.300 0.014 0.000 1.217 189 D CA -0.183 53.852 54.000 0.058 0.000 0.819 189 D CB 0.135 40.971 40.800 0.060 0.000 1.061 189 D HN 0.218 nan 8.370 nan 0.000 0.515 190 R N 0.489 120.955 120.500 -0.056 0.000 2.500 190 R HA 0.612 4.951 4.340 -0.001 0.000 0.299 190 R C -1.645 174.524 176.300 -0.217 0.000 1.038 190 R CA -0.630 55.426 56.100 -0.073 0.000 0.903 190 R CB 2.626 32.861 30.300 -0.109 0.000 1.177 190 R HN -0.114 nan 8.270 nan 0.000 0.455 191 V N 3.504 123.319 119.914 -0.164 0.000 2.525 191 V HA 0.285 4.404 4.120 -0.001 0.000 0.299 191 V C -0.532 175.509 176.094 -0.087 0.000 1.034 191 V CA -0.895 61.237 62.300 -0.279 0.000 0.863 191 V CB 2.175 33.665 31.823 -0.554 0.000 0.999 191 V HN 0.462 nan 8.190 nan 0.000 0.423 192 V N 5.442 125.290 119.914 -0.109 0.000 2.383 192 V HA 0.861 4.980 4.120 -0.001 0.000 0.275 192 V C 0.492 176.651 176.094 0.108 0.000 1.036 192 V CA -0.022 62.303 62.300 0.042 0.000 0.889 192 V CB 1.284 33.097 31.823 -0.016 0.000 0.985 192 V HN 1.091 nan 8.190 nan 0.000 0.459 193 A N 6.607 129.573 122.820 0.243 0.000 2.306 193 A HA 0.779 5.099 4.320 -0.001 0.000 0.314 193 A C -0.989 176.841 177.584 0.409 0.000 1.164 193 A CA -0.495 51.731 52.037 0.314 0.000 0.822 193 A CB 0.862 20.065 19.000 0.338 0.000 1.130 193 A HN 1.059 nan 8.150 nan 0.000 0.496 194 F N 1.811 121.855 119.950 0.156 0.000 2.477 194 F HA 0.550 5.076 4.527 -0.002 0.000 0.335 194 F C -0.047 175.806 175.800 0.088 0.000 1.130 194 F CA -0.678 57.371 58.000 0.081 0.000 0.948 194 F CB 1.851 40.871 39.000 0.034 0.000 1.154 194 F HN 0.686 nan 8.300 nan 0.000 0.439 195 Q N 4.253 123.800 119.800 -0.423 0.000 2.230 195 Q HA 0.664 5.003 4.340 -0.001 0.000 0.248 195 Q C -1.087 174.356 176.000 -0.928 0.000 0.915 195 Q CA -0.086 55.447 55.803 -0.451 0.000 0.900 195 Q CB 1.806 30.512 28.738 -0.053 0.000 1.229 195 Q HN 0.802 nan 8.270 nan 0.000 0.439 196 T N 1.775 115.940 114.554 -0.648 0.000 2.907 196 T HA 0.454 4.803 4.350 -0.001 0.000 0.344 196 T C -1.277 173.249 174.700 -0.290 0.000 1.675 196 T CA -0.493 61.290 62.100 -0.527 0.000 1.076 196 T CB 0.598 69.147 68.868 -0.532 0.000 1.483 196 T HN 0.854 nan 8.240 nan 0.000 0.487 197 R N 1.995 122.389 120.500 -0.177 0.000 2.600 197 R HA 0.462 4.801 4.340 -0.001 0.000 0.392 197 R C -0.202 176.093 176.300 -0.008 0.000 1.032 197 R CA -0.635 55.419 56.100 -0.077 0.000 1.139 197 R CB -0.097 30.152 30.300 -0.085 0.000 1.400 197 R HN 0.425 nan 8.270 nan 0.000 0.566 198 N N 0.507 119.210 118.700 0.006 0.000 2.629 198 N HA 0.471 5.211 4.740 -0.001 0.000 0.279 198 N C -3.007 172.525 175.510 0.037 0.000 1.344 198 N CA -2.127 50.932 53.050 0.015 0.000 0.789 198 N CB 2.188 40.668 38.487 -0.011 0.000 1.508 198 N HN -0.144 nan 8.380 nan 0.000 0.516 199 P HA 0.173 nan 4.420 nan 0.000 0.272 199 P C -1.078 176.083 177.300 -0.232 0.000 1.230 199 P CA 0.200 63.193 63.100 -0.178 0.000 0.788 199 P CB 0.630 32.208 31.700 -0.204 0.000 0.949 200 M N 2.092 121.584 119.600 -0.181 0.000 2.227 200 M HA 0.296 4.775 4.480 -0.001 0.000 0.335 200 M C 0.051 176.252 176.300 -0.165 0.000 1.053 200 M CA -0.376 54.903 55.300 -0.035 0.000 0.973 200 M CB 1.052 33.778 32.600 0.211 0.000 1.623 200 M HN 0.408 nan 8.290 nan 0.000 0.434 201 H N 0.774 120.087 119.070 0.404 0.000 2.693 201 H HA 0.368 4.923 4.556 -0.001 0.000 0.348 201 H C 0.510 175.695 175.328 -0.237 0.000 1.222 201 H CA -0.658 55.309 56.048 -0.136 0.000 1.270 201 H CB 0.998 30.394 29.762 -0.610 0.000 1.798 201 H HN 0.584 nan 8.280 nan 0.000 0.592 202 R N 0.883 121.201 120.500 -0.303 0.000 2.140 202 R HA -0.221 4.118 4.340 -0.001 0.000 0.250 202 R C 2.072 178.051 176.300 -0.534 0.000 1.150 202 R CA 2.044 57.855 56.100 -0.482 0.000 0.966 202 R CB -0.522 29.427 30.300 -0.585 0.000 0.869 202 R HN 0.714 nan 8.270 nan 0.000 0.445 203 A N -0.140 122.400 122.820 -0.467 0.000 1.902 203 A HA -0.200 4.119 4.320 -0.001 0.000 0.217 203 A C 1.739 179.076 177.584 -0.412 0.000 1.181 203 A CA 1.740 53.527 52.037 -0.416 0.000 0.623 203 A CB -0.714 18.106 19.000 -0.300 0.000 0.818 203 A HN 0.442 nan 8.150 nan 0.000 0.443 204 H N -1.036 117.974 119.070 -0.099 0.000 2.395 204 H HA -0.049 4.506 4.556 -0.001 0.000 0.299 204 H C 2.244 177.423 175.328 -0.248 0.000 1.070 204 H CA 1.415 57.374 56.048 -0.148 0.000 1.356 204 H CB -0.299 29.434 29.762 -0.048 0.000 1.401 204 H HN 0.404 nan 8.280 nan 0.000 0.524 205 R N 1.475 121.896 120.500 -0.132 0.000 2.070 205 R HA -0.123 4.216 4.340 -0.001 0.000 0.233 205 R C 1.752 177.861 176.300 -0.318 0.000 1.137 205 R CA 1.172 57.116 56.100 -0.260 0.000 0.945 205 R CB 0.065 30.206 30.300 -0.265 0.000 0.845 205 R HN 0.295 nan 8.270 nan 0.000 0.430 206 E N 1.214 121.210 120.200 -0.340 0.000 2.058 206 E HA -0.201 4.148 4.350 -0.001 0.000 0.194 206 E C 2.100 178.586 176.600 -0.189 0.000 0.997 206 E CA 1.542 57.765 56.400 -0.295 0.000 0.801 206 E CB -0.579 28.886 29.700 -0.392 0.000 0.746 206 E HN 0.456 nan 8.360 nan 0.000 0.450 207 L N 0.589 121.706 121.223 -0.177 0.000 2.141 207 L HA -0.075 4.264 4.340 -0.001 0.000 0.209 207 L C 2.257 179.061 176.870 -0.110 0.000 1.094 207 L CA 2.453 57.217 54.840 -0.126 0.000 0.763 207 L CB -1.470 40.532 42.059 -0.095 0.000 0.908 207 L HN 0.063 nan 8.230 nan 0.000 0.437 208 T N -3.126 111.337 114.554 -0.151 0.000 2.857 208 T HA -0.049 4.301 4.350 -0.001 0.000 0.266 208 T C 1.842 176.536 174.700 -0.009 0.000 1.048 208 T CA 1.250 63.287 62.100 -0.105 0.000 1.139 208 T CB -1.104 67.677 68.868 -0.145 0.000 0.874 208 T HN 0.196 nan 8.240 nan 0.000 0.455 209 V N 1.803 121.719 119.914 0.002 0.000 2.427 209 V HA -0.110 4.009 4.120 -0.001 0.000 0.248 209 V C 2.943 179.013 176.094 -0.041 0.000 1.051 209 V CA 1.763 64.065 62.300 0.003 0.000 1.048 209 V CB -0.710 31.078 31.823 -0.058 0.000 0.666 209 V HN 0.407 nan 8.190 nan 0.000 0.456 210 R N 0.250 120.715 120.500 -0.058 0.000 2.092 210 R HA -0.046 4.293 4.340 -0.001 0.000 0.231 210 R C 2.430 178.698 176.300 -0.053 0.000 1.119 210 R CA 1.350 57.417 56.100 -0.055 0.000 0.970 210 R CB -0.606 29.658 30.300 -0.059 0.000 0.864 210 R HN 0.529 nan 8.270 nan 0.000 0.440 211 A N 1.208 123.998 122.820 -0.049 0.000 1.902 211 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 211 A C 2.365 179.901 177.584 -0.079 0.000 1.181 211 A CA 1.728 53.739 52.037 -0.043 0.000 0.623 211 A CB -0.765 18.225 19.000 -0.017 0.000 0.818 211 A HN 0.389 nan 8.150 nan 0.000 0.443 212 A N -0.490 122.278 122.820 -0.086 0.000 1.933 212 A HA -0.170 4.149 4.320 -0.001 0.000 0.218 212 A C 2.260 179.766 177.584 -0.129 0.000 1.175 212 A CA 1.785 53.742 52.037 -0.132 0.000 0.628 212 A CB -0.468 18.462 19.000 -0.117 0.000 0.814 212 A HN 0.561 nan 8.150 nan 0.000 0.444 213 R N -0.610 119.836 120.500 -0.090 0.000 2.066 213 R HA -0.110 4.229 4.340 -0.001 0.000 0.232 213 R C 1.864 178.118 176.300 -0.076 0.000 1.131 213 R CA 1.470 57.524 56.100 -0.078 0.000 0.955 213 R CB -0.137 30.130 30.300 -0.056 0.000 0.851 213 R HN 0.432 nan 8.270 nan 0.000 0.432 214 E N 0.060 120.219 120.200 -0.069 0.000 2.152 214 E HA -0.097 4.252 4.350 -0.001 0.000 0.192 214 E C 1.486 178.043 176.600 -0.072 0.000 0.983 214 E CA 1.210 57.577 56.400 -0.056 0.000 0.818 214 E CB -0.000 29.677 29.700 -0.037 0.000 0.758 214 E HN 0.427 nan 8.360 nan 0.000 0.467 215 A N 0.540 123.285 122.820 -0.124 0.000 2.275 215 A HA 0.039 4.359 4.320 -0.001 0.000 0.212 215 A C 0.256 177.694 177.584 -0.244 0.000 1.201 215 A CA 0.188 52.100 52.037 -0.208 0.000 0.843 215 A CB -0.521 18.245 19.000 -0.389 0.000 0.873 215 A HN 0.307 nan 8.150 nan 0.000 0.492 216 N N -1.642 116.951 118.700 -0.178 0.000 2.727 216 N HA -0.157 4.582 4.740 -0.001 0.000 0.249 216 N C -0.183 175.187 175.510 -0.233 0.000 1.048 216 N CA 0.525 53.476 53.050 -0.165 0.000 0.714 216 N CB -1.013 37.408 38.487 -0.109 0.000 0.959 216 N HN 0.777 nan 8.380 nan 0.000 0.544 217 A N -0.569 122.071 122.820 -0.300 0.000 2.423 217 A HA 0.726 5.045 4.320 -0.001 0.000 0.304 217 A C -0.069 177.268 177.584 -0.411 0.000 1.104 217 A CA -0.748 51.068 52.037 -0.368 0.000 0.757 217 A CB 1.369 20.094 19.000 -0.459 0.000 1.313 217 A HN -0.011 nan 8.150 nan 0.000 0.423 218 K N 0.052 120.098 120.400 -0.590 0.000 2.107 218 K HA 0.510 4.829 4.320 -0.001 0.000 0.251 218 K C -0.478 175.788 176.600 -0.556 0.000 1.012 218 K CA -0.298 55.484 56.287 -0.841 0.000 0.920 218 K CB 1.261 32.622 32.500 -1.898 0.000 1.033 218 K HN 0.405 nan 8.250 nan 0.000 0.478 219 V N 2.422 122.068 119.914 -0.447 0.000 2.427 219 V HA 0.278 4.397 4.120 -0.001 0.000 0.286 219 V C -0.417 175.647 176.094 -0.050 0.000 1.034 219 V CA -0.951 61.222 62.300 -0.212 0.000 0.893 219 V CB 1.370 33.072 31.823 -0.203 0.000 0.982 219 V HN 0.484 nan 8.190 nan 0.000 0.452 220 L N 6.796 128.044 121.223 0.041 0.000 2.318 220 L HA 0.599 4.939 4.340 -0.001 0.000 0.277 220 L C -0.521 176.433 176.870 0.140 0.000 1.008 220 L CA 0.175 55.116 54.840 0.168 0.000 0.846 220 L CB 0.970 43.148 42.059 0.198 0.000 1.220 220 L HN 0.554 nan 8.230 nan 0.000 0.423 221 I N 5.120 125.745 120.570 0.092 0.000 2.291 221 I HA 0.173 4.342 4.170 -0.001 0.000 0.292 221 I C -0.009 176.135 176.117 0.045 0.000 1.064 221 I CA 0.037 61.384 61.300 0.078 0.000 1.269 221 I CB 0.217 38.194 38.000 -0.038 0.000 1.418 221 I HN 0.623 nan 8.210 nan 0.000 0.485 222 H N 7.927 126.943 119.070 -0.090 0.000 2.410 222 H HA 0.299 4.854 4.556 -0.002 0.000 0.232 222 H C -2.295 172.837 175.328 -0.327 0.000 1.535 222 H CA -2.170 53.762 56.048 -0.194 0.000 1.310 222 H CB 0.638 30.300 29.762 -0.166 0.000 1.518 222 H HN 0.350 nan 8.280 nan 0.000 0.545 223 P HA -0.020 nan 4.420 nan 0.000 0.275 223 P C 0.021 177.089 177.300 -0.387 0.000 1.228 223 P CA -0.213 62.610 63.100 -0.461 0.000 0.786 223 P CB 2.211 33.466 31.700 -0.742 0.000 0.927 224 V N 3.607 123.317 119.914 -0.341 0.000 2.530 224 V HA 0.059 4.179 4.120 -0.001 0.000 0.282 224 V C 1.446 177.408 176.094 -0.220 0.000 1.048 224 V CA 0.214 62.322 62.300 -0.319 0.000 0.997 224 V CB 1.107 32.761 31.823 -0.282 0.000 0.987 224 V HN 0.541 nan 8.190 nan 0.000 0.477 225 V N 1.728 121.478 119.914 -0.273 0.000 3.166 225 V HA 0.563 4.682 4.120 -0.001 0.000 0.332 225 V C 0.821 176.651 176.094 -0.440 0.000 1.434 225 V CA 0.722 62.820 62.300 -0.338 0.000 1.121 225 V CB 0.044 31.645 31.823 -0.370 0.000 1.062 225 V HN 0.745 nan 8.190 nan 0.000 0.489 226 G N 1.311 109.954 108.800 -0.262 0.000 2.964 226 G HA2 0.482 4.441 3.960 -0.001 0.000 0.191 226 G HA3 0.482 4.441 3.960 -0.001 0.000 0.191 226 G C -0.043 174.805 174.900 -0.086 0.000 1.978 226 G CA -0.528 44.471 45.100 -0.169 0.000 0.861 226 G HN 0.352 nan 8.290 nan 0.000 0.584 227 L N 1.193 122.396 121.223 -0.033 0.000 2.329 227 L HA 0.539 4.878 4.340 -0.001 0.000 0.279 227 L C 0.655 177.522 176.870 -0.006 0.000 1.014 227 L CA -0.694 54.148 54.840 0.004 0.000 0.814 227 L CB 2.251 44.320 42.059 0.017 0.000 1.257 227 L HN 0.671 nan 8.230 nan 0.000 0.424 228 T N -1.298 113.260 114.554 0.006 0.000 2.555 228 T HA 0.345 4.694 4.350 -0.001 0.000 0.234 228 T C -0.191 174.514 174.700 0.010 0.000 0.837 228 T CA -0.808 61.290 62.100 -0.002 0.000 1.163 228 T CB 0.899 69.759 68.868 -0.014 0.000 1.556 228 T HN 0.384 nan 8.240 nan 0.000 0.520 229 K N 1.898 122.300 120.400 0.004 0.000 2.295 229 K HA 0.367 4.686 4.320 -0.001 0.000 0.270 229 K C -2.551 174.065 176.600 0.026 0.000 1.011 229 K CA -1.806 54.486 56.287 0.007 0.000 0.953 229 K CB 0.152 32.651 32.500 -0.002 0.000 0.956 229 K HN 0.251 nan 8.250 nan 0.000 0.477 230 P HA 0.074 nan 4.420 nan 0.000 0.271 230 P C 0.032 177.360 177.300 0.046 0.000 1.220 230 P CA 0.486 63.614 63.100 0.048 0.000 0.768 230 P CB 0.926 32.659 31.700 0.055 0.000 0.848 231 G N 1.850 110.678 108.800 0.047 0.000 2.213 231 G HA2 -0.192 3.767 3.960 -0.001 0.000 0.236 231 G HA3 -0.192 3.767 3.960 -0.001 0.000 0.236 231 G C 0.153 175.078 174.900 0.042 0.000 0.991 231 G CA -0.317 44.810 45.100 0.045 0.000 0.629 231 G HN 0.483 nan 8.290 nan 0.000 0.517 232 D N 0.424 120.847 120.400 0.039 0.000 2.362 232 D HA 0.361 5.000 4.640 -0.001 0.000 0.238 232 D C 1.445 177.765 176.300 0.033 0.000 1.212 232 D CA -0.028 53.993 54.000 0.035 0.000 0.902 232 D CB 0.438 41.256 40.800 0.030 0.000 1.180 232 D HN 0.370 nan 8.370 nan 0.000 0.445 233 I N 1.511 122.096 120.570 0.026 0.000 2.634 233 I HA -0.022 4.148 4.170 -0.001 0.000 0.284 233 I C 1.123 177.246 176.117 0.010 0.000 1.124 233 I CA -0.460 60.848 61.300 0.013 0.000 1.417 233 I CB 0.418 38.417 38.000 -0.002 0.000 1.396 233 I HN 0.366 nan 8.210 nan 0.000 0.571 234 D N 6.088 126.487 120.400 -0.002 0.000 2.449 234 D HA -0.129 4.510 4.640 -0.001 0.000 0.236 234 D C 1.094 177.347 176.300 -0.079 0.000 1.149 234 D CA -0.065 53.915 54.000 -0.033 0.000 0.878 234 D CB 0.611 41.392 40.800 -0.032 0.000 1.198 234 D HN 0.686 nan 8.370 nan 0.000 0.446 235 H N 1.117 120.138 119.070 -0.081 0.000 2.491 235 H HA -0.122 4.433 4.556 -0.002 0.000 0.290 235 H C 1.132 176.363 175.328 -0.162 0.000 1.050 235 H CA 0.892 56.854 56.048 -0.144 0.000 1.309 235 H CB -0.435 29.227 29.762 -0.168 0.000 1.392 235 H HN 0.537 nan 8.280 nan 0.000 0.554 236 H N 1.125 120.081 119.070 -0.189 0.000 2.326 236 H HA -0.059 4.497 4.556 -0.001 0.000 0.301 236 H C 1.988 177.304 175.328 -0.019 0.000 1.081 236 H CA 1.894 57.958 56.048 0.027 0.000 1.334 236 H CB -0.295 29.439 29.762 -0.046 0.000 1.385 236 H HN 0.365 nan 8.280 nan 0.000 0.504 237 T N 1.381 115.959 114.554 0.040 0.000 2.652 237 T HA -0.132 4.217 4.350 -0.001 0.000 0.267 237 T C 2.199 176.801 174.700 -0.162 0.000 1.039 237 T CA 1.202 63.279 62.100 -0.038 0.000 1.153 237 T CB -0.072 68.771 68.868 -0.042 0.000 0.863 237 T HN 0.345 nan 8.240 nan 0.000 0.428 238 R N 0.264 120.624 120.500 -0.234 0.000 2.091 238 R HA -0.056 4.284 4.340 -0.001 0.000 0.238 238 R C 2.533 178.313 176.300 -0.867 0.000 1.136 238 R CA 1.097 56.867 56.100 -0.551 0.000 0.959 238 R CB -0.810 29.263 30.300 -0.378 0.000 0.856 238 R HN 0.239 nan 8.270 nan 0.000 0.437 239 V N 1.066 120.733 119.914 -0.413 0.000 2.392 239 V HA -0.267 3.852 4.120 -0.001 0.000 0.249 239 V C 2.375 178.311 176.094 -0.263 0.000 1.059 239 V CA 1.701 63.810 62.300 -0.318 0.000 1.051 239 V CB -0.505 30.967 31.823 -0.585 0.000 0.658 239 V HN 0.320 nan 8.190 nan 0.000 0.455 240 R N -0.563 119.832 120.500 -0.175 0.000 2.091 240 R HA -0.140 4.199 4.340 -0.001 0.000 0.238 240 R C 2.246 178.465 176.300 -0.135 0.000 1.136 240 R CA 1.566 57.614 56.100 -0.087 0.000 0.959 240 R CB -0.548 29.735 30.300 -0.028 0.000 0.856 240 R HN 0.417 nan 8.270 nan 0.000 0.437 241 V N 0.179 119.941 119.914 -0.254 0.000 2.343 241 V HA -0.267 3.852 4.120 -0.001 0.000 0.247 241 V C 1.902 177.910 176.094 -0.143 0.000 1.051 241 V CA 1.718 63.877 62.300 -0.235 0.000 1.036 241 V CB -0.604 31.014 31.823 -0.342 0.000 0.654 241 V HN 0.343 nan 8.190 nan 0.000 0.451 242 Y N 0.208 120.469 120.300 -0.066 0.000 2.145 242 Y HA -0.280 4.269 4.550 -0.002 0.000 0.286 242 Y C 2.792 178.651 175.900 -0.067 0.000 1.145 242 Y CA 1.377 59.442 58.100 -0.059 0.000 1.148 242 Y CB -0.379 38.029 38.460 -0.087 0.000 0.981 242 Y HN 0.229 nan 8.280 nan 0.000 0.507 243 Q N -0.057 119.776 119.800 0.055 0.000 2.234 243 Q HA -0.242 4.097 4.340 -0.001 0.000 0.206 243 Q C 1.917 177.911 176.000 -0.010 0.000 0.980 243 Q CA 1.663 57.465 55.803 -0.002 0.000 0.869 243 Q CB -0.081 28.643 28.738 -0.023 0.000 0.912 243 Q HN 0.402 nan 8.270 nan 0.000 0.436 244 E N 0.852 121.041 120.200 -0.018 0.000 2.051 244 E HA -0.062 4.287 4.350 -0.001 0.000 0.189 244 E C 1.594 178.152 176.600 -0.070 0.000 0.979 244 E CA 0.550 56.924 56.400 -0.044 0.000 0.803 244 E CB -0.070 29.601 29.700 -0.049 0.000 0.761 244 E HN 0.305 nan 8.360 nan 0.000 0.451 245 I N 0.050 120.604 120.570 -0.026 0.000 2.493 245 I HA -0.146 4.023 4.170 -0.001 0.000 0.254 245 I C 2.007 178.183 176.117 0.098 0.000 1.160 245 I CA 0.521 61.797 61.300 -0.039 0.000 1.445 245 I CB 0.065 38.120 38.000 0.091 0.000 1.086 245 I HN 0.186 nan 8.210 nan 0.000 0.433 246 I N 0.856 121.502 120.570 0.126 0.000 2.700 246 I HA -0.284 3.885 4.170 -0.001 0.000 0.261 246 I C 1.991 178.187 176.117 0.132 0.000 1.219 246 I CA 1.554 62.930 61.300 0.128 0.000 1.463 246 I CB -0.281 37.702 38.000 -0.028 0.000 1.092 246 I HN 0.085 nan 8.210 nan 0.000 0.452 247 K N 0.038 120.459 120.400 0.035 0.000 2.486 247 K HA 0.055 4.374 4.320 -0.001 0.000 0.194 247 K C 1.151 177.732 176.600 -0.031 0.000 1.033 247 K CA 0.237 56.522 56.287 -0.003 0.000 1.004 247 K CB 0.150 32.622 32.500 -0.046 0.000 0.798 247 K HN 0.216 nan 8.250 nan 0.000 0.495 248 R N 0.049 120.507 120.500 -0.071 0.000 2.359 248 R HA 0.131 4.470 4.340 -0.001 0.000 0.231 248 R C -0.007 176.209 176.300 -0.140 0.000 0.913 248 R CA 0.123 56.094 56.100 -0.214 0.000 1.075 248 R CB -0.256 29.675 30.300 -0.614 0.000 1.087 248 R HN 0.116 nan 8.270 nan 0.000 0.515 249 Y N 1.803 122.061 120.300 -0.070 0.000 2.374 249 Y HA 0.323 4.872 4.550 -0.001 0.000 0.322 249 Y C -1.564 174.323 175.900 -0.021 0.000 1.275 249 Y CA -2.574 55.503 58.100 -0.037 0.000 1.307 249 Y CB 0.179 38.621 38.460 -0.029 0.000 1.282 249 Y HN -0.071 nan 8.280 nan 0.000 0.509 250 P HA 0.062 nan 4.420 nan 0.000 0.271 250 P C -1.127 176.232 177.300 0.100 0.000 1.216 250 P CA -0.360 62.790 63.100 0.083 0.000 0.776 250 P CB 0.502 32.232 31.700 0.050 0.000 0.881 251 N N 1.146 119.893 118.700 0.078 0.000 2.293 251 N HA 0.198 4.937 4.740 -0.001 0.000 0.253 251 N C 1.553 177.126 175.510 0.104 0.000 1.248 251 N CA 1.773 54.873 53.050 0.085 0.000 0.845 251 N CB -0.555 37.971 38.487 0.066 0.000 1.073 251 N HN 0.786 nan 8.380 nan 0.000 0.464 252 G N 0.942 109.830 108.800 0.146 0.000 2.153 252 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.252 252 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.252 252 G C 0.564 175.592 174.900 0.214 0.000 0.994 252 G CA 0.398 45.632 45.100 0.223 0.000 0.698 252 G HN 0.636 nan 8.290 nan 0.000 0.521 253 I N -0.319 120.318 120.570 0.112 0.000 3.939 253 I HA 0.618 4.787 4.170 -0.001 0.000 0.313 253 I C 1.237 177.276 176.117 -0.130 0.000 1.274 253 I CA 0.903 62.168 61.300 -0.058 0.000 1.301 253 I CB 0.247 38.236 38.000 -0.019 0.000 1.105 253 I HN 0.420 nan 8.210 nan 0.000 0.427 254 A N 0.006 122.848 122.820 0.036 0.000 2.454 254 A HA 0.628 4.947 4.320 -0.001 0.000 0.302 254 A C -1.649 176.115 177.584 0.301 0.000 1.079 254 A CA -0.351 51.679 52.037 -0.011 0.000 0.731 254 A CB 1.173 19.853 19.000 -0.533 0.000 1.299 254 A HN 0.141 nan 8.150 nan 0.000 0.413 255 F N 1.245 121.297 119.950 0.170 0.000 2.561 255 F HA 0.620 5.146 4.527 -0.002 0.000 0.313 255 F C -1.224 174.605 175.800 0.048 0.000 1.126 255 F CA -0.883 57.221 58.000 0.173 0.000 0.918 255 F CB 1.939 41.138 39.000 0.333 0.000 1.199 255 F HN 0.535 nan 8.300 nan 0.000 0.444 256 L N 5.343 126.339 121.223 -0.377 0.000 2.272 256 L HA 0.696 5.035 4.340 -0.001 0.000 0.289 256 L C -0.938 175.805 176.870 -0.212 0.000 1.032 256 L CA 0.140 54.846 54.840 -0.224 0.000 0.810 256 L CB 1.191 43.114 42.059 -0.227 0.000 1.205 256 L HN 0.523 nan 8.230 nan 0.000 0.422 257 S N 5.220 120.943 115.700 0.038 0.000 2.547 257 S HA 0.701 5.170 4.470 -0.001 0.000 0.281 257 S C -0.991 173.674 174.600 0.108 0.000 1.118 257 S CA -0.734 57.536 58.200 0.117 0.000 0.947 257 S CB 0.828 64.175 63.200 0.245 0.000 1.053 257 S HN 0.612 nan 8.310 nan 0.000 0.482 258 L N 3.865 125.083 121.223 -0.007 0.000 2.334 258 L HA 0.613 4.952 4.340 -0.001 0.000 0.277 258 L C -0.606 176.125 176.870 -0.232 0.000 1.075 258 L CA -0.925 53.832 54.840 -0.138 0.000 0.804 258 L CB 1.133 43.094 42.059 -0.163 0.000 1.174 258 L HN 0.513 nan 8.230 nan 0.000 0.438 259 L N 6.252 127.211 121.223 -0.441 0.000 2.316 259 L HA 0.478 4.817 4.340 -0.001 0.000 0.280 259 L C -2.113 174.510 176.870 -0.411 0.000 1.006 259 L CA -1.567 52.920 54.840 -0.590 0.000 0.836 259 L CB 1.398 42.802 42.059 -1.092 0.000 1.221 259 L HN 0.264 nan 8.230 nan 0.000 0.418 260 P HA 0.038 nan 4.420 nan 0.000 0.246 260 P C -0.230 176.958 177.300 -0.187 0.000 1.686 260 P CA -0.187 62.768 63.100 -0.241 0.000 0.867 260 P CB 0.002 31.584 31.700 -0.197 0.000 1.733 261 L N 0.740 121.819 121.223 -0.239 0.000 2.436 261 L HA 0.496 4.836 4.340 -0.001 0.000 0.265 261 L C 0.102 176.936 176.870 -0.059 0.000 1.168 261 L CA -0.357 54.382 54.840 -0.168 0.000 0.815 261 L CB 0.782 42.654 42.059 -0.311 0.000 1.109 261 L HN 0.048 nan 8.230 nan 0.000 0.462 262 A N 6.349 129.221 122.820 0.086 0.000 2.412 262 A HA 0.524 4.843 4.320 -0.001 0.000 0.334 262 A C -0.114 177.595 177.584 0.209 0.000 1.419 262 A CA -0.641 51.462 52.037 0.110 0.000 0.930 262 A CB -0.219 18.859 19.000 0.131 0.000 1.149 262 A HN 0.791 nan 8.150 nan 0.000 0.515 263 M N 1.053 120.733 119.600 0.134 0.000 2.245 263 M HA 0.191 4.670 4.480 -0.001 0.000 0.330 263 M C 1.117 177.524 176.300 0.178 0.000 1.098 263 M CA 0.186 55.624 55.300 0.231 0.000 1.172 263 M CB 0.572 33.248 32.600 0.128 0.000 1.467 263 M HN 0.664 nan 8.290 nan 0.000 0.454 264 R N 1.020 121.656 120.500 0.227 0.000 2.335 264 R HA 0.282 4.621 4.340 -0.001 0.000 0.210 264 R C -0.246 176.101 176.300 0.079 0.000 0.892 264 R CA 0.248 56.380 56.100 0.053 0.000 1.048 264 R CB 0.343 30.673 30.300 0.050 0.000 1.067 264 R HN 0.704 nan 8.270 nan 0.000 0.524 265 M N -0.075 119.591 119.600 0.110 0.000 2.427 265 M HA -0.192 4.287 4.480 -0.001 0.000 0.204 265 M C 0.152 176.530 176.300 0.130 0.000 0.413 265 M CA 0.591 55.913 55.300 0.038 0.000 0.507 265 M CB -2.831 29.732 32.600 -0.062 0.000 1.823 265 M HN 0.034 nan 8.290 nan 0.000 0.859 266 S N -0.217 115.599 115.700 0.193 0.000 2.596 266 S HA 0.465 4.934 4.470 -0.001 0.000 0.248 266 S C 1.629 176.201 174.600 -0.046 0.000 1.162 266 S CA 0.896 59.298 58.200 0.336 0.000 1.185 266 S CB -0.408 63.031 63.200 0.399 0.000 0.833 266 S HN 0.997 nan 8.310 nan 0.000 0.472 267 G N 3.155 111.618 108.800 -0.561 0.000 2.700 267 G HA2 -0.477 3.482 3.960 -0.001 0.000 0.350 267 G HA3 -0.477 3.482 3.960 -0.001 0.000 0.350 267 G C 0.763 175.396 174.900 -0.444 0.000 1.250 267 G CA 1.133 45.605 45.100 -1.047 0.000 0.978 267 G HN 0.674 nan 8.290 nan 0.000 0.551 268 D N 0.377 120.581 120.400 -0.326 0.000 2.144 268 D HA -0.058 4.581 4.640 -0.001 0.000 0.200 268 D C 2.362 178.655 176.300 -0.011 0.000 0.978 268 D CA 1.641 55.608 54.000 -0.055 0.000 0.833 268 D CB -0.588 40.255 40.800 0.071 0.000 0.961 268 D HN 0.612 nan 8.370 nan 0.000 0.470 269 R N 0.234 120.742 120.500 0.013 0.000 2.073 269 R HA -0.100 4.240 4.340 -0.001 0.000 0.234 269 R C 2.419 178.679 176.300 -0.068 0.000 1.134 269 R CA 1.543 57.628 56.100 -0.025 0.000 0.952 269 R CB -0.215 30.053 30.300 -0.052 0.000 0.850 269 R HN 0.340 nan 8.270 nan 0.000 0.433 270 E N 0.237 120.405 120.200 -0.053 0.000 2.150 270 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 270 E C 1.800 178.272 176.600 -0.214 0.000 0.985 270 E CA 1.096 57.482 56.400 -0.023 0.000 0.814 270 E CB -0.002 29.691 29.700 -0.012 0.000 0.752 270 E HN 0.374 nan 8.360 nan 0.000 0.466 271 A N 0.358 123.082 122.820 -0.159 0.000 1.908 271 A HA -0.164 4.155 4.320 -0.001 0.000 0.218 271 A C 2.398 179.939 177.584 -0.071 0.000 1.181 271 A CA 1.603 53.549 52.037 -0.152 0.000 0.627 271 A CB -0.749 18.156 19.000 -0.160 0.000 0.818 271 A HN 0.227 nan 8.150 nan 0.000 0.445 272 V N -1.990 117.899 119.914 -0.042 0.000 2.295 272 V HA -0.263 3.856 4.120 -0.001 0.000 0.246 272 V C 2.216 178.247 176.094 -0.105 0.000 1.049 272 V CA 1.956 64.230 62.300 -0.044 0.000 1.024 272 V CB -1.043 30.754 31.823 -0.043 0.000 0.648 272 V HN 0.877 nan 8.190 nan 0.000 0.447 273 W N 1.008 122.090 121.300 -0.364 0.000 2.338 273 W HA -0.187 4.472 4.660 -0.002 0.000 0.304 273 W C 2.522 178.892 176.519 -0.249 0.000 1.212 273 W CA 1.986 59.054 57.345 -0.462 0.000 1.264 273 W CB -0.797 28.383 29.460 -0.467 0.000 1.142 273 W HN 0.419 nan 8.180 nan 0.000 0.512 274 H N -0.893 118.056 119.070 -0.202 0.000 2.387 274 H HA -0.106 4.449 4.556 -0.001 0.000 0.299 274 H C 2.285 177.188 175.328 -0.709 0.000 1.090 274 H CA 1.077 56.868 56.048 -0.428 0.000 1.332 274 H CB -0.287 29.396 29.762 -0.132 0.000 1.386 274 H HN 0.214 nan 8.280 nan 0.000 0.516 275 A N 1.128 123.683 122.820 -0.442 0.000 1.873 275 A HA -0.131 4.188 4.320 -0.001 0.000 0.215 275 A C 2.387 179.768 177.584 -0.338 0.000 1.186 275 A CA 1.150 52.891 52.037 -0.494 0.000 0.616 275 A CB -0.645 18.265 19.000 -0.149 0.000 0.823 275 A HN 0.276 nan 8.150 nan 0.000 0.442 276 I N -0.175 120.217 120.570 -0.297 0.000 2.163 276 I HA -0.292 3.877 4.170 -0.001 0.000 0.243 276 I C 2.312 178.350 176.117 -0.132 0.000 1.085 276 I CA 1.531 62.652 61.300 -0.299 0.000 1.347 276 I CB -0.313 37.419 38.000 -0.446 0.000 1.044 276 I HN 0.321 nan 8.210 nan 0.000 0.408 277 I N 0.042 120.525 120.570 -0.145 0.000 2.286 277 I HA -0.281 3.888 4.170 -0.001 0.000 0.248 277 I C 2.556 178.724 176.117 0.084 0.000 1.115 277 I CA 1.211 62.518 61.300 0.010 0.000 1.392 277 I CB -0.314 37.601 38.000 -0.143 0.000 1.065 277 I HN 0.138 nan 8.210 nan 0.000 0.418 278 R N 0.766 121.191 120.500 -0.125 0.000 2.148 278 R HA -0.094 4.245 4.340 -0.001 0.000 0.223 278 R C 2.132 178.466 176.300 0.057 0.000 1.088 278 R CA 0.908 56.981 56.100 -0.044 0.000 0.985 278 R CB -0.383 29.754 30.300 -0.271 0.000 0.880 278 R HN 0.270 nan 8.270 nan 0.000 0.451 279 K N 0.311 120.712 120.400 0.001 0.000 2.057 279 K HA -0.092 4.227 4.320 -0.001 0.000 0.206 279 K C 1.235 177.892 176.600 0.095 0.000 1.050 279 K CA 1.408 57.722 56.287 0.046 0.000 0.935 279 K CB 0.025 32.536 32.500 0.018 0.000 0.715 279 K HN 0.091 nan 8.250 nan 0.000 0.439 280 N N 0.064 118.832 118.700 0.113 0.000 2.188 280 N HA -0.153 4.586 4.740 -0.001 0.000 0.184 280 N C 1.257 176.774 175.510 0.012 0.000 1.018 280 N CA 1.142 54.239 53.050 0.078 0.000 0.858 280 N CB -0.254 38.288 38.487 0.092 0.000 0.989 280 N HN 0.291 nan 8.380 nan 0.000 0.426 281 Y N -0.083 120.232 120.300 0.025 0.000 2.578 281 Y HA 0.120 4.670 4.550 -0.001 0.000 0.297 281 Y C 1.703 177.622 175.900 0.032 0.000 1.176 281 Y CA 0.593 58.693 58.100 0.001 0.000 1.315 281 Y CB 0.083 38.554 38.460 0.018 0.000 1.031 281 Y HN 0.188 nan 8.280 nan 0.000 0.524 282 G N -0.708 108.214 108.800 0.202 0.000 2.179 282 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.220 282 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.220 282 G C 0.246 175.328 174.900 0.304 0.000 0.990 282 G CA -0.245 45.013 45.100 0.264 0.000 0.646 282 G HN 0.544 nan 8.290 nan 0.000 0.517 283 A N 0.511 123.469 122.820 0.230 0.000 2.371 283 A HA 0.750 5.069 4.320 -0.001 0.000 0.257 283 A C 1.558 179.205 177.584 0.105 0.000 1.089 283 A CA 1.126 53.248 52.037 0.141 0.000 0.794 283 A CB 0.662 19.746 19.000 0.141 0.000 1.029 283 A HN 1.549 nan 8.150 nan 0.000 0.488 284 S N 0.914 116.683 115.700 0.114 0.000 2.483 284 S HA 0.179 4.648 4.470 -0.001 0.000 0.221 284 S C 0.469 175.056 174.600 -0.022 0.000 1.030 284 S CA 0.526 58.781 58.200 0.091 0.000 0.925 284 S CB -0.261 63.053 63.200 0.190 0.000 0.795 284 S HN 0.803 nan 8.310 nan 0.000 0.511 285 H N -0.574 118.530 119.070 0.057 0.000 2.894 285 H HA 0.773 5.328 4.556 -0.002 0.000 0.368 285 H C -1.650 173.812 175.328 0.224 0.000 1.181 285 H CA -1.043 55.066 56.048 0.102 0.000 1.146 285 H CB 1.416 31.208 29.762 0.050 0.000 1.839 285 H HN 0.235 nan 8.280 nan 0.000 0.557 286 F N 0.989 121.027 119.950 0.146 0.000 2.628 286 F HA 0.510 5.037 4.527 -0.001 0.000 0.309 286 F C -1.869 174.006 175.800 0.125 0.000 1.108 286 F CA -0.953 57.116 58.000 0.115 0.000 0.971 286 F CB 1.241 40.277 39.000 0.060 0.000 1.279 286 F HN 0.432 nan 8.300 nan 0.000 0.441 287 I N 5.894 126.136 120.570 -0.546 0.000 2.336 287 I HA 0.477 4.646 4.170 -0.001 0.000 0.292 287 I C -0.892 174.783 176.117 -0.736 0.000 0.991 287 I CA -1.174 59.911 61.300 -0.358 0.000 1.227 287 I CB 1.544 39.552 38.000 0.013 0.000 1.366 287 I HN 0.240 nan 8.210 nan 0.000 0.466 288 V N 5.609 125.276 119.914 -0.411 0.000 2.370 288 V HA 0.495 4.614 4.120 -0.001 0.000 0.283 288 V C 0.810 176.786 176.094 -0.196 0.000 1.023 288 V CA -0.381 61.655 62.300 -0.440 0.000 0.857 288 V CB 1.195 32.826 31.823 -0.319 0.000 0.985 288 V HN 0.946 nan 8.190 nan 0.000 0.443 289 G N 3.691 112.415 108.800 -0.126 0.000 2.543 289 G HA2 0.406 4.365 3.960 -0.001 0.000 0.290 289 G HA3 0.406 4.365 3.960 -0.001 0.000 0.290 289 G C -0.174 174.509 174.900 -0.361 0.000 1.310 289 G CA -0.783 43.921 45.100 -0.660 0.000 1.025 289 G HN 0.652 nan 8.290 nan 0.000 0.502 290 R N -0.109 120.116 120.500 -0.458 0.000 2.401 290 R HA 0.131 4.470 4.340 -0.001 0.000 0.299 290 R C -0.059 176.168 176.300 -0.122 0.000 1.064 290 R CA 0.317 56.343 56.100 -0.123 0.000 1.000 290 R CB 0.116 30.436 30.300 0.033 0.000 0.973 290 R HN 0.610 nan 8.270 nan 0.000 0.438 291 D N 1.971 122.314 120.400 -0.095 0.000 2.751 291 D HA -0.272 4.367 4.640 -0.001 0.000 0.233 291 D C -0.622 175.633 176.300 -0.075 0.000 1.149 291 D CA 0.787 54.748 54.000 -0.064 0.000 0.682 291 D CB -1.219 39.560 40.800 -0.034 0.000 1.068 291 D HN 0.600 nan 8.370 nan 0.000 0.429 292 H N 0.319 119.286 119.070 -0.171 0.000 3.094 292 H HA 0.195 4.750 4.556 -0.002 0.000 0.320 292 H C 1.418 176.639 175.328 -0.179 0.000 1.000 292 H CA 1.651 57.596 56.048 -0.172 0.000 1.413 292 H CB 0.189 29.859 29.762 -0.153 0.000 1.405 292 H HN 0.448 nan 8.280 nan 0.000 0.586 293 A N 3.193 125.823 122.820 -0.317 0.000 2.798 293 A HA -0.194 4.125 4.320 -0.001 0.000 0.282 293 A C 1.035 178.502 177.584 -0.195 0.000 1.464 293 A CA 1.210 53.133 52.037 -0.191 0.000 0.844 293 A CB -1.854 17.082 19.000 -0.107 0.000 1.006 293 A HN 0.971 nan 8.150 nan 0.000 0.577 294 G N -0.916 107.773 108.800 -0.185 0.000 2.377 294 G HA2 0.564 4.523 3.960 -0.001 0.000 0.299 294 G HA3 0.564 4.523 3.960 -0.001 0.000 0.299 294 G C -0.874 174.003 174.900 -0.037 0.000 1.150 294 G CA -0.768 44.248 45.100 -0.141 0.000 0.847 294 G HN 0.246 nan 8.290 nan 0.000 0.501 295 P HA 0.162 nan 4.420 nan 0.000 0.249 295 P C 1.155 178.564 177.300 0.182 0.000 1.229 295 P CA 0.995 64.068 63.100 -0.045 0.000 0.788 295 P CB 0.646 32.118 31.700 -0.380 0.000 1.072 296 G N 0.589 109.567 108.800 0.295 0.000 2.709 296 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.228 296 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.228 296 G C -1.010 174.046 174.900 0.261 0.000 1.215 296 G CA -0.543 44.711 45.100 0.258 0.000 1.003 296 G HN 0.280 nan 8.290 nan 0.000 0.584 297 K N 1.366 121.814 120.400 0.080 0.000 2.221 297 K HA 0.488 4.807 4.320 -0.001 0.000 0.243 297 K C 0.571 176.943 176.600 -0.380 0.000 0.968 297 K CA -0.266 55.896 56.287 -0.209 0.000 0.846 297 K CB 1.774 34.210 32.500 -0.107 0.000 1.141 297 K HN 0.858 nan 8.250 nan 0.000 0.434 298 N N -0.875 117.409 118.700 -0.693 0.000 2.443 298 N HA 0.112 4.851 4.740 -0.001 0.000 0.294 298 N C 0.433 175.846 175.510 -0.161 0.000 1.289 298 N CA -0.752 52.018 53.050 -0.467 0.000 0.966 298 N CB 0.626 38.784 38.487 -0.548 0.000 1.122 298 N HN 0.204 nan 8.380 nan 0.000 0.569 299 S N -0.160 115.500 115.700 -0.067 0.000 2.359 299 S HA -0.088 4.381 4.470 -0.001 0.000 0.224 299 S C 1.264 175.840 174.600 -0.041 0.000 1.035 299 S CA 1.014 59.199 58.200 -0.025 0.000 1.018 299 S CB -0.260 62.944 63.200 0.005 0.000 0.876 299 S HN 0.458 nan 8.310 nan 0.000 0.448 300 K N 0.913 121.276 120.400 -0.061 0.000 2.616 300 K HA 0.081 4.400 4.320 -0.001 0.000 0.192 300 K C 1.328 177.890 176.600 -0.064 0.000 1.031 300 K CA 0.688 56.944 56.287 -0.053 0.000 1.004 300 K CB -0.946 31.521 32.500 -0.055 0.000 0.810 300 K HN 0.509 nan 8.250 nan 0.000 0.497 301 G N 1.176 109.929 108.800 -0.079 0.000 2.155 301 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.257 301 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.257 301 G C 0.167 175.007 174.900 -0.101 0.000 0.983 301 G CA 0.508 45.564 45.100 -0.074 0.000 0.676 301 G HN 0.328 nan 8.290 nan 0.000 0.528 302 V N 0.645 120.468 119.914 -0.151 0.000 2.567 302 V HA 0.522 4.641 4.120 -0.001 0.000 0.289 302 V C 0.071 176.022 176.094 -0.239 0.000 1.049 302 V CA -0.922 61.285 62.300 -0.156 0.000 0.969 302 V CB 1.186 32.930 31.823 -0.131 0.000 0.995 302 V HN 0.225 nan 8.190 nan 0.000 0.471 303 D N 4.896 125.214 120.400 -0.137 0.000 2.450 303 D HA 0.048 4.687 4.640 -0.001 0.000 0.247 303 D C 0.659 176.900 176.300 -0.098 0.000 1.162 303 D CA 0.650 54.599 54.000 -0.084 0.000 0.879 303 D CB 0.791 41.594 40.800 0.005 0.000 1.163 303 D HN 0.599 nan 8.370 nan 0.000 0.472 304 F N 0.984 120.942 119.950 0.013 0.000 2.234 304 F HA -0.107 4.420 4.527 -0.001 0.000 0.299 304 F C 0.537 176.192 175.800 -0.242 0.000 1.087 304 F CA 0.958 58.912 58.000 -0.076 0.000 1.340 304 F CB 0.164 39.159 39.000 -0.009 0.000 1.031 304 F HN 0.330 nan 8.300 nan 0.000 0.500 305 Y N -1.321 119.095 120.300 0.195 0.000 2.588 305 Y HA 0.525 5.074 4.550 -0.002 0.000 0.343 305 Y C 0.502 176.436 175.900 0.057 0.000 1.065 305 Y CA -1.880 56.293 58.100 0.122 0.000 1.038 305 Y CB 0.673 39.200 38.460 0.111 0.000 1.297 305 Y HN -0.233 nan 8.280 nan 0.000 0.467 306 G N 1.875 110.797 108.800 0.203 0.000 2.467 306 G HA2 0.297 4.256 3.960 -0.001 0.000 0.257 306 G HA3 0.297 4.256 3.960 -0.001 0.000 0.257 306 G C -1.650 173.263 174.900 0.023 0.000 1.227 306 G CA -1.219 43.937 45.100 0.094 0.000 0.835 306 G HN 0.457 nan 8.290 nan 0.000 0.556 307 P HA -0.169 nan 4.420 nan 0.000 0.218 307 P C 0.157 177.180 177.300 -0.461 0.000 1.146 307 P CA 1.483 64.361 63.100 -0.371 0.000 0.813 307 P CB 0.064 31.400 31.700 -0.608 0.000 0.778 308 Y N -1.167 119.185 120.300 0.087 0.000 2.584 308 Y HA 0.162 4.711 4.550 -0.002 0.000 0.254 308 Y C 1.725 177.663 175.900 0.064 0.000 1.177 308 Y CA -0.499 57.643 58.100 0.071 0.000 1.216 308 Y CB -0.283 38.217 38.460 0.066 0.000 1.172 308 Y HN -0.155 nan 8.280 nan 0.000 0.529 309 D N 1.158 121.655 120.400 0.163 0.000 2.117 309 D HA -0.190 4.449 4.640 -0.001 0.000 0.197 309 D C 2.238 178.600 176.300 0.104 0.000 0.987 309 D CA 1.525 55.615 54.000 0.150 0.000 0.829 309 D CB -0.227 40.695 40.800 0.203 0.000 0.961 309 D HN 0.363 nan 8.370 nan 0.000 0.460 310 A N 0.923 123.783 122.820 0.068 0.000 1.851 310 A HA -0.274 4.045 4.320 -0.001 0.000 0.216 310 A C 2.133 179.733 177.584 0.026 0.000 1.195 310 A CA 1.866 53.914 52.037 0.018 0.000 0.622 310 A CB -0.901 18.091 19.000 -0.014 0.000 0.831 310 A HN 0.221 nan 8.150 nan 0.000 0.444 311 Q N -0.631 119.205 119.800 0.059 0.000 2.152 311 Q HA -0.242 4.097 4.340 -0.001 0.000 0.206 311 Q C 2.021 178.055 176.000 0.055 0.000 0.985 311 Q CA 1.845 57.686 55.803 0.064 0.000 0.863 311 Q CB -0.229 28.586 28.738 0.129 0.000 0.904 311 Q HN 0.794 nan 8.270 nan 0.000 0.422 312 E N 0.438 120.680 120.200 0.071 0.000 2.072 312 E HA -0.122 4.227 4.350 -0.001 0.000 0.191 312 E C 2.010 178.601 176.600 -0.014 0.000 0.985 312 E CA 0.537 56.958 56.400 0.035 0.000 0.801 312 E CB -0.026 29.707 29.700 0.056 0.000 0.750 312 E HN 0.279 nan 8.360 nan 0.000 0.452 313 L N 0.784 122.003 121.223 -0.007 0.000 2.017 313 L HA -0.159 4.180 4.340 -0.001 0.000 0.208 313 L C 2.356 179.197 176.870 -0.048 0.000 1.073 313 L CA 1.107 55.909 54.840 -0.062 0.000 0.745 313 L CB -0.171 41.901 42.059 0.022 0.000 0.894 313 L HN 0.095 nan 8.230 nan 0.000 0.432 314 V N 0.114 120.052 119.914 0.041 0.000 2.407 314 V HA -0.275 3.844 4.120 -0.001 0.000 0.248 314 V C 2.465 178.594 176.094 0.058 0.000 1.055 314 V CA 1.956 64.312 62.300 0.093 0.000 1.049 314 V CB -0.415 31.444 31.823 0.061 0.000 0.662 314 V HN 0.484 nan 8.190 nan 0.000 0.455 315 E N 1.100 121.306 120.200 0.009 0.000 2.150 315 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 315 E C 2.236 178.817 176.600 -0.031 0.000 0.985 315 E CA 1.566 57.961 56.400 -0.009 0.000 0.814 315 E CB -0.360 29.337 29.700 -0.006 0.000 0.752 315 E HN 0.713 nan 8.360 nan 0.000 0.466 316 S N -1.266 114.369 115.700 -0.109 0.000 2.481 316 S HA -0.107 4.362 4.470 -0.001 0.000 0.231 316 S C 1.452 175.960 174.600 -0.155 0.000 0.996 316 S CA 0.600 58.691 58.200 -0.182 0.000 0.942 316 S CB -0.500 62.493 63.200 -0.344 0.000 0.768 316 S HN 0.461 nan 8.310 nan 0.000 0.520 317 Y N 1.184 121.506 120.300 0.037 0.000 2.507 317 Y HA 0.377 4.927 4.550 -0.001 0.000 0.254 317 Y C 2.072 177.984 175.900 0.021 0.000 1.171 317 Y CA -0.451 57.674 58.100 0.042 0.000 1.238 317 Y CB 0.188 38.662 38.460 0.023 0.000 1.148 317 Y HN 0.226 nan 8.280 nan 0.000 0.525 318 K N 0.683 121.137 120.400 0.090 0.000 2.089 318 K HA -0.273 4.046 4.320 -0.001 0.000 0.210 318 K C 0.805 177.326 176.600 -0.131 0.000 1.048 318 K CA 2.240 58.486 56.287 -0.069 0.000 0.926 318 K CB -0.225 32.142 32.500 -0.220 0.000 0.714 318 K HN 0.465 nan 8.250 nan 0.000 0.448 319 H N -0.451 118.669 119.070 0.084 0.000 2.563 319 H HA -0.015 4.540 4.556 -0.002 0.000 0.272 319 H C 1.107 176.481 175.328 0.077 0.000 1.005 319 H CA 1.303 57.392 56.048 0.068 0.000 1.171 319 H CB 0.261 30.057 29.762 0.056 0.000 1.351 319 H HN 0.573 nan 8.280 nan 0.000 0.602 320 E N -0.418 119.882 120.200 0.167 0.000 2.641 320 E HA 0.060 4.410 4.350 -0.001 0.000 0.224 320 E C 1.102 177.784 176.600 0.136 0.000 0.951 320 E CA -0.003 56.483 56.400 0.143 0.000 1.102 320 E CB -0.126 29.662 29.700 0.146 0.000 1.091 320 E HN 0.326 nan 8.360 nan 0.000 0.507 321 L N 1.304 122.589 121.223 0.104 0.000 2.156 321 L HA -0.032 4.307 4.340 -0.001 0.000 0.208 321 L C 0.508 177.419 176.870 0.067 0.000 1.095 321 L CA 1.261 56.143 54.840 0.070 0.000 0.770 321 L CB -0.160 41.921 42.059 0.036 0.000 0.914 321 L HN 0.197 nan 8.230 nan 0.000 0.439 322 D N -0.054 120.376 120.400 0.049 0.000 2.800 322 D HA -0.243 4.396 4.640 -0.001 0.000 0.232 322 D C -0.327 175.977 176.300 0.007 0.000 1.137 322 D CA 0.612 54.634 54.000 0.036 0.000 0.718 322 D CB -0.859 39.983 40.800 0.071 0.000 1.084 322 D HN 0.291 nan 8.370 nan 0.000 0.432 323 I N -0.114 120.443 120.570 -0.021 0.000 2.627 323 I HA 0.233 4.402 4.170 -0.001 0.000 0.288 323 I C -0.457 175.613 176.117 -0.078 0.000 1.202 323 I CA -0.771 60.499 61.300 -0.050 0.000 1.050 323 I CB 1.298 39.289 38.000 -0.015 0.000 1.264 323 I HN -0.094 nan 8.210 nan 0.000 0.429 324 E N 5.146 125.218 120.200 -0.214 0.000 2.384 324 E HA 0.245 4.594 4.350 -0.001 0.000 0.266 324 E C -1.019 175.558 176.600 -0.039 0.000 1.012 324 E CA -0.142 56.131 56.400 -0.211 0.000 0.901 324 E CB 1.517 30.925 29.700 -0.486 0.000 0.967 324 E HN 0.370 nan 8.360 nan 0.000 0.435 325 V N 5.041 124.973 119.914 0.030 0.000 2.350 325 V HA 0.114 4.234 4.120 -0.001 0.000 0.276 325 V C -0.092 176.056 176.094 0.089 0.000 1.028 325 V CA -0.619 61.734 62.300 0.089 0.000 0.860 325 V CB 1.456 33.323 31.823 0.072 0.000 0.990 325 V HN 0.413 nan 8.190 nan 0.000 0.453 326 V N 8.943 128.928 119.914 0.117 0.000 2.530 326 V HA 0.246 4.365 4.120 -0.001 0.000 0.282 326 V C -1.669 174.481 176.094 0.094 0.000 1.048 326 V CA -1.408 60.959 62.300 0.112 0.000 0.997 326 V CB 1.343 33.237 31.823 0.118 0.000 0.987 326 V HN 0.751 nan 8.190 nan 0.000 0.477 327 P HA 0.008 nan 4.420 nan 0.000 0.268 327 P C -0.720 176.669 177.300 0.150 0.000 1.205 327 P CA -0.161 62.999 63.100 0.101 0.000 0.771 327 P CB 0.377 32.113 31.700 0.060 0.000 0.858 328 F N 4.879 124.855 119.950 0.042 0.000 2.434 328 F HA 0.197 4.723 4.527 -0.002 0.000 0.358 328 F C 0.594 176.435 175.800 0.068 0.000 1.136 328 F CA -0.514 57.523 58.000 0.063 0.000 1.157 328 F CB 0.278 39.331 39.000 0.090 0.000 1.167 328 F HN 0.095 nan 8.300 nan 0.000 0.539 329 R N 7.097 127.329 120.500 -0.446 0.000 2.575 329 R HA 0.180 4.519 4.340 -0.001 0.000 0.281 329 R C -0.281 175.662 176.300 -0.595 0.000 1.272 329 R CA -0.942 54.912 56.100 -0.410 0.000 1.417 329 R CB 0.599 30.789 30.300 -0.184 0.000 1.121 329 R HN 0.605 nan 8.270 nan 0.000 0.583 330 M N 2.716 121.795 119.600 -0.868 0.000 2.250 330 M HA 0.001 4.480 4.480 -0.001 0.000 0.337 330 M C -0.111 176.075 176.300 -0.190 0.000 1.161 330 M CA -0.371 54.613 55.300 -0.526 0.000 1.088 330 M CB 0.664 33.105 32.600 -0.264 0.000 1.639 330 M HN 0.332 nan 8.290 nan 0.000 0.447 331 V N 2.005 121.868 119.914 -0.086 0.000 2.769 331 V HA 0.944 5.063 4.120 -0.001 0.000 0.312 331 V C -0.280 175.877 176.094 0.105 0.000 1.058 331 V CA -0.565 61.743 62.300 0.013 0.000 0.952 331 V CB 1.638 33.486 31.823 0.041 0.000 1.019 331 V HN 0.916 nan 8.190 nan 0.000 0.445 332 T N 1.696 116.330 114.554 0.134 0.000 2.906 332 T HA 0.543 4.892 4.350 -0.001 0.000 0.295 332 T C -1.601 173.182 174.700 0.138 0.000 1.075 332 T CA -0.374 61.824 62.100 0.163 0.000 1.005 332 T CB 1.537 70.450 68.868 0.076 0.000 1.136 332 T HN 0.906 nan 8.240 nan 0.000 0.498 333 Y N 3.351 123.603 120.300 -0.080 0.000 2.316 333 Y HA 0.597 5.146 4.550 -0.001 0.000 0.331 333 Y C -0.775 174.876 175.900 -0.415 0.000 1.083 333 Y CA -1.062 56.783 58.100 -0.426 0.000 1.206 333 Y CB 0.508 38.652 38.460 -0.527 0.000 1.195 333 Y HN 0.483 nan 8.280 nan 0.000 0.497 334 L N 10.077 130.693 121.223 -1.012 0.000 2.287 334 L HA 0.282 4.621 4.340 -0.001 0.000 0.280 334 L C -1.770 174.376 176.870 -1.208 0.000 1.055 334 L CA -1.834 52.502 54.840 -0.840 0.000 0.863 334 L CB 1.065 42.832 42.059 -0.486 0.000 1.245 334 L HN 0.582 nan 8.230 nan 0.000 0.432 335 P HA -0.210 nan 4.420 nan 0.000 0.214 335 P C 0.779 177.792 177.300 -0.478 0.000 1.169 335 P CA 1.317 63.926 63.100 -0.819 0.000 0.908 335 P CB 0.248 31.669 31.700 -0.465 0.000 0.791 336 D N -0.858 119.329 120.400 -0.355 0.000 2.311 336 D HA -0.146 4.493 4.640 -0.001 0.000 0.212 336 D C 1.315 177.491 176.300 -0.207 0.000 0.972 336 D CA 1.071 54.934 54.000 -0.228 0.000 0.887 336 D CB -0.332 40.359 40.800 -0.183 0.000 0.915 336 D HN 0.435 nan 8.370 nan 0.000 0.497 337 E N -0.165 119.870 120.200 -0.275 0.000 2.562 337 E HA 0.012 4.361 4.350 -0.001 0.000 0.214 337 E C -0.617 175.872 176.600 -0.186 0.000 0.979 337 E CA -0.189 56.090 56.400 -0.201 0.000 1.002 337 E CB 0.780 30.369 29.700 -0.185 0.000 1.048 337 E HN -0.010 nan 8.360 nan 0.000 0.488 338 D N 1.725 121.969 120.400 -0.259 0.000 2.689 338 D HA -0.205 4.434 4.640 -0.001 0.000 0.237 338 D C -0.160 176.126 176.300 -0.025 0.000 1.148 338 D CA 1.309 55.263 54.000 -0.076 0.000 0.656 338 D CB -1.151 39.656 40.800 0.012 0.000 1.050 338 D HN 0.429 nan 8.370 nan 0.000 0.426 339 R N -1.896 118.485 120.500 -0.199 0.000 2.728 339 R HA 0.583 4.922 4.340 -0.001 0.000 0.274 339 R C -1.453 174.690 176.300 -0.262 0.000 1.030 339 R CA -0.960 55.085 56.100 -0.092 0.000 0.876 339 R CB 0.829 31.114 30.300 -0.026 0.000 1.259 339 R HN -0.131 nan 8.270 nan 0.000 0.468 340 Y N -0.209 120.135 120.300 0.073 0.000 2.420 340 Y HA 0.832 5.381 4.550 -0.001 0.000 0.334 340 Y C 0.138 176.031 175.900 -0.013 0.000 1.094 340 Y CA -0.329 57.804 58.100 0.056 0.000 1.126 340 Y CB 2.430 40.925 38.460 0.059 0.000 1.217 340 Y HN 0.911 nan 8.280 nan 0.000 0.462 341 A N 2.627 125.506 122.820 0.098 0.000 2.572 341 A HA 0.742 5.061 4.320 -0.001 0.000 0.295 341 A C -3.147 174.445 177.584 0.014 0.000 1.072 341 A CA -2.187 49.867 52.037 0.029 0.000 0.691 341 A CB 1.424 20.408 19.000 -0.026 0.000 1.291 341 A HN 0.459 nan 8.150 nan 0.000 0.404 342 P HA 0.149 nan 4.420 nan 0.000 0.263 342 P C 0.840 178.121 177.300 -0.033 0.000 1.195 342 P CA 0.125 63.201 63.100 -0.040 0.000 0.762 342 P CB 0.308 31.978 31.700 -0.050 0.000 0.799 343 I N 2.598 123.148 120.570 -0.032 0.000 2.315 343 I HA -0.283 3.886 4.170 -0.001 0.000 0.251 343 I C 1.421 177.529 176.117 -0.015 0.000 1.125 343 I CA 1.725 63.017 61.300 -0.015 0.000 1.392 343 I CB -0.430 37.572 38.000 0.002 0.000 1.065 343 I HN 0.443 nan 8.210 nan 0.000 0.424 344 D N -0.301 120.085 120.400 -0.024 0.000 2.363 344 D HA -0.164 4.475 4.640 -0.001 0.000 0.226 344 D C 1.670 177.958 176.300 -0.021 0.000 1.020 344 D CA 0.634 54.624 54.000 -0.017 0.000 0.892 344 D CB -0.206 40.581 40.800 -0.020 0.000 0.900 344 D HN 0.395 nan 8.370 nan 0.000 0.531 345 Q N -0.580 119.204 119.800 -0.026 0.000 2.246 345 Q HA 0.238 4.577 4.340 -0.001 0.000 0.222 345 Q C 0.114 176.095 176.000 -0.032 0.000 0.851 345 Q CA -0.213 55.573 55.803 -0.028 0.000 0.945 345 Q CB 0.889 29.608 28.738 -0.031 0.000 1.122 345 Q HN 0.494 nan 8.270 nan 0.000 0.508 346 I N -2.903 117.647 120.570 -0.032 0.000 2.562 346 I HA 0.419 4.588 4.170 -0.001 0.000 0.301 346 I C -0.729 175.368 176.117 -0.033 0.000 1.003 346 I CA -0.883 60.393 61.300 -0.040 0.000 1.127 346 I CB 1.609 39.575 38.000 -0.055 0.000 1.304 346 I HN -0.284 nan 8.210 nan 0.000 0.446 347 D N 4.003 124.381 120.400 -0.036 0.000 2.380 347 D HA 0.121 4.760 4.640 -0.001 0.000 0.230 347 D C 1.300 177.581 176.300 -0.033 0.000 1.154 347 D CA 0.322 54.304 54.000 -0.029 0.000 0.859 347 D CB 1.413 42.195 40.800 -0.029 0.000 1.045 347 D HN 0.869 nan 8.370 nan 0.000 0.495 348 T N 0.378 114.917 114.554 -0.025 0.000 2.649 348 T HA -0.230 4.119 4.350 -0.001 0.000 0.268 348 T C 1.196 175.878 174.700 -0.030 0.000 1.036 348 T CA 1.679 63.764 62.100 -0.025 0.000 1.157 348 T CB -0.693 68.169 68.868 -0.010 0.000 0.861 348 T HN 0.419 nan 8.240 nan 0.000 0.445 349 T N -0.473 114.067 114.554 -0.024 0.000 3.598 349 T HA 0.639 4.988 4.350 -0.001 0.000 0.343 349 T C 0.353 175.036 174.700 -0.030 0.000 1.697 349 T CA -0.731 61.354 62.100 -0.025 0.000 1.247 349 T CB 0.623 69.480 68.868 -0.018 0.000 1.210 349 T HN 0.370 nan 8.240 nan 0.000 0.820 350 K N 0.177 120.553 120.400 -0.039 0.000 1.461 350 K HA -0.011 4.308 4.320 -0.001 0.000 0.100 350 K C -0.790 175.776 176.600 -0.056 0.000 2.240 350 K CA 0.235 56.497 56.287 -0.042 0.000 0.985 350 K CB 0.395 32.873 32.500 -0.037 0.000 2.432 350 K HN 0.485 nan 8.250 nan 0.000 0.342 351 T N 1.716 116.231 114.554 -0.065 0.000 2.916 351 T HA 0.483 4.833 4.350 -0.001 0.000 0.298 351 T C -0.920 173.717 174.700 -0.104 0.000 1.031 351 T CA -0.570 61.477 62.100 -0.088 0.000 0.993 351 T CB 2.192 71.005 68.868 -0.091 0.000 1.045 351 T HN 0.038 nan 8.240 nan 0.000 0.454 352 R N 2.103 122.523 120.500 -0.133 0.000 2.389 352 R HA 0.530 4.869 4.340 -0.001 0.000 0.295 352 R C 0.222 176.395 176.300 -0.211 0.000 1.075 352 R CA -0.272 55.733 56.100 -0.158 0.000 1.005 352 R CB 0.541 30.736 30.300 -0.175 0.000 0.987 352 R HN 0.742 nan 8.270 nan 0.000 0.452 353 T N 0.613 115.058 114.554 -0.183 0.000 2.912 353 T HA 0.584 4.934 4.350 -0.001 0.000 0.299 353 T C -0.431 174.162 174.700 -0.179 0.000 1.052 353 T CA -0.912 61.068 62.100 -0.201 0.000 0.996 353 T CB 1.305 70.106 68.868 -0.112 0.000 1.070 353 T HN 0.276 nan 8.240 nan 0.000 0.465 354 L N 3.057 124.137 121.223 -0.239 0.000 2.370 354 L HA 0.745 5.084 4.340 -0.001 0.000 0.266 354 L C -0.539 176.346 176.870 0.026 0.000 1.002 354 L CA -0.951 53.765 54.840 -0.207 0.000 0.818 354 L CB 1.960 43.672 42.059 -0.578 0.000 1.325 354 L HN 0.978 nan 8.230 nan 0.000 0.418 355 N N 2.390 121.257 118.700 0.279 0.000 2.745 355 N HA 0.389 5.128 4.740 -0.001 0.000 0.256 355 N C -1.748 173.889 175.510 0.212 0.000 1.268 355 N CA -0.647 52.663 53.050 0.433 0.000 0.887 355 N CB 2.032 40.691 38.487 0.286 0.000 1.575 355 N HN 0.434 nan 8.380 nan 0.000 0.496 356 I N 1.778 122.304 120.570 -0.072 0.000 2.354 356 I HA 0.146 4.316 4.170 -0.001 0.000 0.286 356 I C 1.036 177.006 176.117 -0.245 0.000 1.007 356 I CA -0.588 60.456 61.300 -0.426 0.000 1.167 356 I CB 1.530 38.785 38.000 -1.241 0.000 1.320 356 I HN 0.698 nan 8.210 nan 0.000 0.458 357 S N 4.127 119.775 115.700 -0.087 0.000 2.589 357 S HA 0.168 4.637 4.470 -0.001 0.000 0.265 357 S C 1.412 176.012 174.600 -0.001 0.000 1.342 357 S CA 0.025 58.230 58.200 0.008 0.000 1.005 357 S CB 1.405 64.618 63.200 0.020 0.000 0.909 357 S HN 0.787 nan 8.310 nan 0.000 0.555 358 G N 0.602 109.443 108.800 0.069 0.000 2.418 358 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.217 358 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.217 358 G C 1.292 176.213 174.900 0.034 0.000 1.158 358 G CA 1.169 46.317 45.100 0.080 0.000 0.771 358 G HN 0.750 nan 8.290 nan 0.000 0.545 359 T N 0.714 115.283 114.554 0.025 0.000 2.652 359 T HA -0.144 4.205 4.350 -0.001 0.000 0.267 359 T C 2.237 176.927 174.700 -0.017 0.000 1.039 359 T CA 1.817 63.923 62.100 0.010 0.000 1.153 359 T CB -0.185 68.690 68.868 0.013 0.000 0.863 359 T HN 0.458 nan 8.240 nan 0.000 0.428 360 E N 0.888 121.063 120.200 -0.042 0.000 2.110 360 E HA -0.091 4.258 4.350 -0.001 0.000 0.193 360 E C 2.002 178.539 176.600 -0.105 0.000 0.988 360 E CA 0.776 57.130 56.400 -0.077 0.000 0.804 360 E CB -0.615 29.023 29.700 -0.103 0.000 0.745 360 E HN 0.352 nan 8.360 nan 0.000 0.458 361 L N 0.550 121.702 121.223 -0.120 0.000 2.046 361 L HA -0.066 4.274 4.340 -0.001 0.000 0.208 361 L C 2.404 179.249 176.870 -0.041 0.000 1.077 361 L CA 1.895 56.668 54.840 -0.111 0.000 0.747 361 L CB -0.500 41.529 42.059 -0.051 0.000 0.896 361 L HN 0.030 nan 8.230 nan 0.000 0.432 362 R N -0.842 119.650 120.500 -0.013 0.000 2.091 362 R HA -0.172 4.167 4.340 -0.001 0.000 0.238 362 R C 2.557 178.844 176.300 -0.021 0.000 1.136 362 R CA 1.742 57.841 56.100 -0.000 0.000 0.959 362 R CB -0.288 30.020 30.300 0.013 0.000 0.856 362 R HN 0.356 nan 8.270 nan 0.000 0.437 363 R N 0.303 120.782 120.500 -0.034 0.000 2.070 363 R HA -0.116 4.223 4.340 -0.001 0.000 0.232 363 R C 2.124 178.391 176.300 -0.054 0.000 1.138 363 R CA 1.701 57.775 56.100 -0.044 0.000 0.936 363 R CB -0.095 30.178 30.300 -0.045 0.000 0.839 363 R HN 0.162 nan 8.270 nan 0.000 0.429 364 R N 0.300 120.761 120.500 -0.064 0.000 2.117 364 R HA -0.166 4.173 4.340 -0.001 0.000 0.243 364 R C 2.394 178.662 176.300 -0.054 0.000 1.143 364 R CA 1.609 57.669 56.100 -0.067 0.000 0.968 364 R CB -0.449 29.797 30.300 -0.090 0.000 0.863 364 R HN 0.323 nan 8.270 nan 0.000 0.444 365 L N -0.002 121.196 121.223 -0.041 0.000 2.109 365 L HA -0.099 4.240 4.340 -0.001 0.000 0.207 365 L C 2.799 179.645 176.870 -0.040 0.000 1.086 365 L CA 0.948 55.771 54.840 -0.028 0.000 0.760 365 L CB -0.353 41.702 42.059 -0.007 0.000 0.910 365 L HN 0.180 nan 8.230 nan 0.000 0.437 366 R N 0.390 120.861 120.500 -0.049 0.000 2.148 366 R HA -0.100 4.239 4.340 -0.001 0.000 0.223 366 R C 1.765 178.005 176.300 -0.100 0.000 1.088 366 R CA 1.628 57.685 56.100 -0.073 0.000 0.985 366 R CB 0.146 30.403 30.300 -0.071 0.000 0.880 366 R HN 0.400 nan 8.270 nan 0.000 0.451 367 V N -3.416 116.447 119.914 -0.085 0.000 3.578 367 V HA 0.393 4.512 4.120 -0.001 0.000 0.290 367 V C 0.751 176.801 176.094 -0.074 0.000 1.376 367 V CA 0.479 62.723 62.300 -0.092 0.000 1.083 367 V CB 0.249 32.023 31.823 -0.083 0.000 0.911 367 V HN 0.331 nan 8.190 nan 0.000 0.433 368 G N 0.116 108.879 108.800 -0.061 0.000 2.198 368 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.260 368 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.260 368 G C 0.555 175.429 174.900 -0.043 0.000 1.025 368 G CA 0.265 45.337 45.100 -0.047 0.000 0.769 368 G HN 1.424 nan 8.290 nan 0.000 0.507 369 G N -1.057 107.714 108.800 -0.048 0.000 2.562 369 G HA2 0.524 4.483 3.960 -0.001 0.000 0.275 369 G HA3 0.524 4.483 3.960 -0.001 0.000 0.275 369 G C 0.117 174.988 174.900 -0.049 0.000 1.196 369 G CA 0.132 45.204 45.100 -0.047 0.000 0.908 369 G HN 0.503 nan 8.290 nan 0.000 0.524 370 E N -0.655 119.517 120.200 -0.047 0.000 2.383 370 E HA 0.234 4.584 4.350 -0.001 0.000 0.264 370 E C -0.663 175.886 176.600 -0.085 0.000 1.050 370 E CA -0.074 56.295 56.400 -0.052 0.000 0.896 370 E CB 0.560 30.237 29.700 -0.038 0.000 0.982 370 E HN 0.236 nan 8.360 nan 0.000 0.424 371 I N 5.684 126.195 120.570 -0.098 0.000 2.468 371 I HA 0.243 4.413 4.170 -0.001 0.000 0.285 371 I C -2.201 173.802 176.117 -0.191 0.000 1.039 371 I CA -2.321 58.884 61.300 -0.159 0.000 1.074 371 I CB 1.846 39.790 38.000 -0.094 0.000 1.228 371 I HN 0.409 nan 8.210 nan 0.000 0.436 372 P HA 0.113 nan 4.420 nan 0.000 0.268 372 P C 0.266 177.299 177.300 -0.445 0.000 1.205 372 P CA -0.086 62.772 63.100 -0.403 0.000 0.771 372 P CB 0.722 32.059 31.700 -0.604 0.000 0.858 373 E N 1.722 121.778 120.200 -0.240 0.000 2.265 373 E HA -0.141 4.208 4.350 -0.001 0.000 0.196 373 E C 1.465 177.924 176.600 -0.235 0.000 0.996 373 E CA 0.919 57.208 56.400 -0.186 0.000 0.832 373 E CB -0.227 29.432 29.700 -0.068 0.000 0.756 373 E HN 0.706 nan 8.360 nan 0.000 0.491 374 W N 0.003 121.158 121.300 -0.240 0.000 2.595 374 W HA -0.058 4.601 4.660 -0.001 0.000 0.257 374 W C 1.454 177.844 176.519 -0.215 0.000 1.267 374 W CA -0.008 57.064 57.345 -0.455 0.000 1.300 374 W CB -0.609 28.111 29.460 -1.233 0.000 1.120 374 W HN -0.029 nan 8.180 nan 0.000 0.618 375 F N 1.975 121.429 119.950 -0.826 0.000 2.220 375 F HA 0.290 4.816 4.527 -0.001 0.000 0.290 375 F C 0.729 176.327 175.800 -0.338 0.000 1.080 375 F CA 1.168 58.761 58.000 -0.679 0.000 1.318 375 F CB -0.143 38.208 39.000 -1.082 0.000 1.063 375 F HN -0.225 nan 8.300 nan 0.000 0.498 376 S N -1.410 114.043 115.700 -0.411 0.000 2.541 376 S HA 0.399 4.868 4.470 -0.001 0.000 0.271 376 S C -1.552 172.939 174.600 -0.183 0.000 1.133 376 S CA -0.624 57.399 58.200 -0.295 0.000 0.876 376 S CB 0.303 63.470 63.200 -0.055 0.000 1.105 376 S HN 0.070 nan 8.310 nan 0.000 0.470 377 Y N 3.623 123.886 120.300 -0.063 0.000 2.597 377 Y HA 0.142 4.692 4.550 -0.001 0.000 0.336 377 Y C -0.958 174.927 175.900 -0.026 0.000 1.216 377 Y CA -0.858 57.217 58.100 -0.043 0.000 1.463 377 Y CB 0.157 38.592 38.460 -0.042 0.000 1.303 377 Y HN 0.551 nan 8.280 nan 0.000 0.576 378 P HA -0.252 nan 4.420 nan 0.000 0.215 378 P C 0.990 178.332 177.300 0.070 0.000 1.157 378 P CA 2.075 65.219 63.100 0.073 0.000 0.874 378 P CB 0.226 31.958 31.700 0.054 0.000 0.790 379 E N 0.180 120.424 120.200 0.073 0.000 2.160 379 E HA -0.104 4.245 4.350 -0.001 0.000 0.195 379 E C 2.120 178.741 176.600 0.034 0.000 0.991 379 E CA 0.991 57.413 56.400 0.036 0.000 0.810 379 E CB -1.715 27.990 29.700 0.008 0.000 0.742 379 E HN 0.141 nan 8.360 nan 0.000 0.466 380 V N 1.424 121.378 119.914 0.066 0.000 2.379 380 V HA -0.178 3.941 4.120 -0.001 0.000 0.245 380 V C 2.642 178.767 176.094 0.052 0.000 1.044 380 V CA 1.285 63.615 62.300 0.049 0.000 1.036 380 V CB -0.252 31.621 31.823 0.084 0.000 0.664 380 V HN 0.101 nan 8.190 nan 0.000 0.453 381 V N 0.139 120.097 119.914 0.074 0.000 2.407 381 V HA -0.289 3.830 4.120 -0.001 0.000 0.248 381 V C 2.430 178.546 176.094 0.037 0.000 1.055 381 V CA 2.326 64.665 62.300 0.066 0.000 1.049 381 V CB -0.644 31.211 31.823 0.053 0.000 0.662 381 V HN 0.580 nan 8.190 nan 0.000 0.455 382 K N 0.086 120.502 120.400 0.028 0.000 2.063 382 K HA -0.180 4.139 4.320 -0.001 0.000 0.208 382 K C 2.073 178.679 176.600 0.010 0.000 1.048 382 K CA 1.778 58.075 56.287 0.016 0.000 0.928 382 K CB -0.234 32.274 32.500 0.014 0.000 0.713 382 K HN 0.432 nan 8.250 nan 0.000 0.442 383 I N 1.140 121.714 120.570 0.007 0.000 2.226 383 I HA -0.298 3.872 4.170 -0.001 0.000 0.245 383 I C 2.192 178.307 176.117 -0.003 0.000 1.100 383 I CA 1.055 62.352 61.300 -0.005 0.000 1.374 383 I CB -0.189 37.797 38.000 -0.022 0.000 1.057 383 I HN 0.196 nan 8.210 nan 0.000 0.413 384 L N 0.124 121.353 121.223 0.010 0.000 2.046 384 L HA -0.198 4.142 4.340 -0.001 0.000 0.208 384 L C 2.739 179.619 176.870 0.016 0.000 1.077 384 L CA 1.382 56.234 54.840 0.020 0.000 0.747 384 L CB -0.624 41.469 42.059 0.057 0.000 0.896 384 L HN 0.186 nan 8.230 nan 0.000 0.432 385 R N -0.005 120.504 120.500 0.015 0.000 2.096 385 R HA -0.161 4.178 4.340 -0.001 0.000 0.235 385 R C 2.153 178.454 176.300 0.002 0.000 1.127 385 R CA 1.255 57.359 56.100 0.007 0.000 0.968 385 R CB -0.229 30.073 30.300 0.004 0.000 0.861 385 R HN 0.479 nan 8.270 nan 0.000 0.440 386 E N 0.034 120.234 120.200 0.001 0.000 2.072 386 E HA -0.110 4.239 4.350 -0.001 0.000 0.191 386 E C 1.893 178.490 176.600 -0.005 0.000 0.985 386 E CA 1.394 57.792 56.400 -0.003 0.000 0.801 386 E CB 0.097 29.794 29.700 -0.005 0.000 0.750 386 E HN 0.211 nan 8.360 nan 0.000 0.452 387 S N 0.305 116.002 115.700 -0.004 0.000 2.470 387 S HA -0.049 4.420 4.470 -0.001 0.000 0.225 387 S C 0.882 175.482 174.600 0.000 0.000 1.006 387 S CA 0.243 58.439 58.200 -0.006 0.000 0.934 387 S CB -0.015 63.181 63.200 -0.007 0.000 0.778 387 S HN 0.215 nan 8.310 nan 0.000 0.517 388 N N 1.733 120.435 118.700 0.004 0.000 2.790 388 N HA 0.208 4.947 4.740 -0.001 0.000 0.256 388 N C -3.138 172.373 175.510 0.003 0.000 1.409 388 N CA -1.603 51.452 53.050 0.008 0.000 0.799 388 N CB 1.187 39.682 38.487 0.013 0.000 1.170 388 N HN 0.072 nan 8.380 nan 0.000 0.507 389 P HA 0.196 nan 4.420 nan 0.000 0.272 389 P C -2.743 174.546 177.300 -0.017 0.000 1.223 389 P CA -0.869 62.230 63.100 -0.003 0.000 0.784 389 P CB 0.644 32.348 31.700 0.006 0.000 0.923 390 P HA 0.147 nan 4.420 nan 0.000 0.274 390 P C 1.065 178.306 177.300 -0.098 0.000 1.256 390 P CA -0.286 62.775 63.100 -0.066 0.000 0.795 390 P CB 0.756 32.419 31.700 -0.062 0.000 1.038 391 R N 0.803 121.187 120.500 -0.193 0.000 2.119 391 R HA -0.143 4.196 4.340 -0.001 0.000 0.246 391 R C -0.645 175.524 176.300 -0.219 0.000 1.146 391 R CA 2.113 57.997 56.100 -0.361 0.000 0.962 391 R CB -2.641 27.303 30.300 -0.594 0.000 0.863 391 R HN 0.502 nan 8.270 nan 0.000 0.442 392 P HA -0.082 nan 4.420 nan 0.000 0.225 392 P C 0.639 177.975 177.300 0.061 0.000 1.148 392 P CA 1.244 64.335 63.100 -0.016 0.000 0.779 392 P CB 0.129 31.811 31.700 -0.030 0.000 0.780 393 K N -1.305 119.118 120.400 0.038 0.000 2.387 393 K HA 0.204 4.523 4.320 -0.001 0.000 0.203 393 K C 0.528 177.184 176.600 0.093 0.000 1.030 393 K CA 0.063 56.388 56.287 0.063 0.000 1.099 393 K CB 0.444 32.962 32.500 0.030 0.000 0.863 393 K HN 0.360 nan 8.250 nan 0.000 0.529 394 Q N 0.007 119.895 119.800 0.146 0.000 2.230 394 Q HA 0.404 4.743 4.340 -0.001 0.000 0.248 394 Q C 0.432 176.653 176.000 0.368 0.000 0.915 394 Q CA -0.479 55.462 55.803 0.229 0.000 0.900 394 Q CB 1.449 30.326 28.738 0.231 0.000 1.229 394 Q HN 0.166 nan 8.270 nan 0.000 0.439 395 G N 0.933 109.878 108.800 0.242 0.000 2.580 395 G HA2 0.574 4.533 3.960 -0.001 0.000 0.278 395 G HA3 0.574 4.533 3.960 -0.001 0.000 0.278 395 G C -0.810 174.231 174.900 0.234 0.000 1.212 395 G CA -0.180 44.986 45.100 0.109 0.000 0.939 395 G HN 0.576 nan 8.290 nan 0.000 0.513 396 F N -2.883 117.049 119.950 -0.029 0.000 2.858 396 F HA 0.748 5.274 4.527 -0.001 0.000 0.319 396 F C -0.813 174.970 175.800 -0.027 0.000 1.166 396 F CA -1.427 56.515 58.000 -0.097 0.000 0.899 396 F CB 1.116 39.828 39.000 -0.479 0.000 1.332 396 F HN 0.515 nan 8.300 nan 0.000 0.461 397 S N 1.430 117.316 115.700 0.309 0.000 2.541 397 S HA 0.788 5.257 4.470 -0.001 0.000 0.280 397 S C -1.661 173.180 174.600 0.402 0.000 1.112 397 S CA -0.585 57.768 58.200 0.256 0.000 0.925 397 S CB 1.805 65.100 63.200 0.159 0.000 1.067 397 S HN 0.554 nan 8.310 nan 0.000 0.479 398 I N 3.209 124.011 120.570 0.386 0.000 2.382 398 I HA 0.377 4.547 4.170 -0.001 0.000 0.286 398 I C -0.506 175.747 176.117 0.227 0.000 1.002 398 I CA -0.673 60.825 61.300 0.330 0.000 1.135 398 I CB 1.238 39.474 38.000 0.392 0.000 1.288 398 I HN 0.279 nan 8.210 nan 0.000 0.448 399 V N 6.906 126.910 119.914 0.151 0.000 2.383 399 V HA 0.318 4.437 4.120 -0.001 0.000 0.275 399 V C 0.530 176.643 176.094 0.032 0.000 1.036 399 V CA -0.707 61.642 62.300 0.081 0.000 0.889 399 V CB 1.600 33.401 31.823 -0.037 0.000 0.985 399 V HN 0.402 nan 8.190 nan 0.000 0.459 400 L N 5.407 126.655 121.223 0.041 0.000 2.407 400 L HA 0.323 4.662 4.340 -0.001 0.000 0.282 400 L C 1.327 178.182 176.870 -0.026 0.000 1.110 400 L CA 0.113 54.961 54.840 0.013 0.000 0.863 400 L CB -0.007 42.066 42.059 0.022 0.000 1.207 400 L HN 0.811 nan 8.230 nan 0.000 0.454 401 G N 2.456 111.231 108.800 -0.041 0.000 2.690 401 G HA2 -0.093 3.866 3.960 -0.001 0.000 0.239 401 G HA3 -0.093 3.866 3.960 -0.001 0.000 0.239 401 G C 0.866 175.735 174.900 -0.052 0.000 1.233 401 G CA -0.447 44.615 45.100 -0.063 0.000 0.847 401 G HN 0.704 nan 8.290 nan 0.000 0.588 402 N N -0.080 118.583 118.700 -0.062 0.000 2.364 402 N HA -0.149 4.590 4.740 -0.001 0.000 0.183 402 N C 2.555 178.046 175.510 -0.033 0.000 1.022 402 N CA 1.369 54.392 53.050 -0.046 0.000 0.883 402 N CB -0.048 38.410 38.487 -0.049 0.000 0.965 402 N HN 0.560 nan 8.380 nan 0.000 0.438 403 S N 0.076 115.756 115.700 -0.032 0.000 2.481 403 S HA 0.033 4.502 4.470 -0.001 0.000 0.231 403 S C 0.905 175.492 174.600 -0.022 0.000 0.996 403 S CA -0.105 58.081 58.200 -0.024 0.000 0.942 403 S CB -0.370 62.816 63.200 -0.022 0.000 0.768 403 S HN 0.168 nan 8.310 nan 0.000 0.520 404 L N 2.914 124.124 121.223 -0.023 0.000 2.513 404 L HA 0.108 4.447 4.340 -0.001 0.000 0.272 404 L C 1.556 178.413 176.870 -0.021 0.000 1.187 404 L CA 0.321 55.149 54.840 -0.021 0.000 0.895 404 L CB 0.629 42.677 42.059 -0.019 0.000 1.147 404 L HN 0.446 nan 8.230 nan 0.000 0.483 405 T N -1.104 113.437 114.554 -0.022 0.000 3.010 405 T HA 0.146 4.496 4.350 -0.001 0.000 0.257 405 T C 0.488 175.173 174.700 -0.025 0.000 1.020 405 T CA -0.081 62.005 62.100 -0.022 0.000 0.938 405 T CB -0.013 68.843 68.868 -0.021 0.000 1.049 405 T HN 0.326 nan 8.240 nan 0.000 0.522 406 V N 0.440 120.338 119.914 -0.027 0.000 3.319 406 V HA 0.544 4.663 4.120 -0.001 0.000 0.303 406 V C 0.698 176.776 176.094 -0.027 0.000 1.094 406 V CA -0.946 61.336 62.300 -0.031 0.000 1.106 406 V CB 0.750 32.553 31.823 -0.034 0.000 1.099 406 V HN 0.314 nan 8.190 nan 0.000 0.476 407 S N 0.940 116.623 115.700 -0.029 0.000 2.481 407 S HA 0.217 4.686 4.470 -0.001 0.000 0.282 407 S C 1.111 175.695 174.600 -0.026 0.000 1.243 407 S CA -0.065 58.119 58.200 -0.027 0.000 1.078 407 S CB -0.053 63.130 63.200 -0.028 0.000 0.916 407 S HN 0.782 nan 8.310 nan 0.000 0.495 408 R N 3.208 123.694 120.500 -0.023 0.000 2.096 408 R HA -0.112 4.227 4.340 -0.001 0.000 0.235 408 R C 2.232 178.520 176.300 -0.021 0.000 1.127 408 R CA 1.839 57.928 56.100 -0.019 0.000 0.968 408 R CB -0.206 30.085 30.300 -0.016 0.000 0.861 408 R HN 0.869 nan 8.270 nan 0.000 0.440 409 E N 0.354 120.539 120.200 -0.025 0.000 2.106 409 E HA -0.207 4.142 4.350 -0.001 0.000 0.192 409 E C 1.824 178.404 176.600 -0.034 0.000 0.984 409 E CA 0.996 57.379 56.400 -0.027 0.000 0.806 409 E CB 0.249 29.933 29.700 -0.028 0.000 0.750 409 E HN 0.223 nan 8.360 nan 0.000 0.458 410 Q N 0.169 119.948 119.800 -0.035 0.000 2.096 410 Q HA -0.096 4.244 4.340 -0.001 0.000 0.197 410 Q C 2.291 178.260 176.000 -0.051 0.000 0.964 410 Q CA 0.590 56.367 55.803 -0.043 0.000 0.838 410 Q CB -0.340 28.375 28.738 -0.039 0.000 0.906 410 Q HN 0.311 nan 8.270 nan 0.000 0.444 411 L N 0.855 122.051 121.223 -0.045 0.000 2.046 411 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 411 L C 2.058 178.888 176.870 -0.067 0.000 1.077 411 L CA 1.809 56.619 54.840 -0.050 0.000 0.747 411 L CB -0.819 41.221 42.059 -0.031 0.000 0.896 411 L HN 0.001 nan 8.230 nan 0.000 0.432 412 S N -0.188 115.483 115.700 -0.048 0.000 2.356 412 S HA -0.136 4.334 4.470 -0.001 0.000 0.223 412 S C 2.005 176.553 174.600 -0.087 0.000 1.032 412 S CA 1.773 59.945 58.200 -0.047 0.000 1.005 412 S CB -0.468 62.725 63.200 -0.012 0.000 0.867 412 S HN 0.500 nan 8.310 nan 0.000 0.449 413 I N 1.707 122.230 120.570 -0.078 0.000 2.226 413 I HA -0.225 3.944 4.170 -0.001 0.000 0.245 413 I C 2.704 178.738 176.117 -0.138 0.000 1.100 413 I CA 1.085 62.330 61.300 -0.093 0.000 1.374 413 I CB -0.509 37.449 38.000 -0.070 0.000 1.057 413 I HN 0.273 nan 8.210 nan 0.000 0.413 414 A N 0.943 123.681 122.820 -0.136 0.000 1.902 414 A HA -0.161 4.158 4.320 -0.001 0.000 0.217 414 A C 2.299 179.718 177.584 -0.276 0.000 1.181 414 A CA 1.374 53.313 52.037 -0.163 0.000 0.623 414 A CB -0.817 18.113 19.000 -0.117 0.000 0.818 414 A HN 0.363 nan 8.150 nan 0.000 0.443 415 L N -1.158 119.861 121.223 -0.341 0.000 2.046 415 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 415 L C 2.567 178.891 176.870 -0.911 0.000 1.077 415 L CA 1.209 55.633 54.840 -0.693 0.000 0.747 415 L CB -0.515 41.208 42.059 -0.561 0.000 0.896 415 L HN 0.474 nan 8.230 nan 0.000 0.432 416 L N -0.570 120.370 121.223 -0.472 0.000 1.970 416 L HA -0.220 4.119 4.340 -0.001 0.000 0.212 416 L C 2.643 179.310 176.870 -0.338 0.000 1.071 416 L CA 1.987 56.636 54.840 -0.317 0.000 0.751 416 L CB -0.667 41.304 42.059 -0.147 0.000 0.889 416 L HN 0.091 nan 8.230 nan 0.000 0.432 417 S N -1.076 114.459 115.700 -0.275 0.000 2.387 417 S HA -0.217 4.253 4.470 -0.001 0.000 0.230 417 S C 1.762 176.168 174.600 -0.323 0.000 1.035 417 S CA 1.755 59.811 58.200 -0.239 0.000 1.014 417 S CB -0.624 62.468 63.200 -0.179 0.000 0.836 417 S HN 0.649 nan 8.310 nan 0.000 0.466 418 T N 1.988 116.294 114.554 -0.414 0.000 2.701 418 T HA 0.005 4.354 4.350 -0.001 0.000 0.263 418 T C 1.438 175.655 174.700 -0.805 0.000 1.040 418 T CA 1.050 62.851 62.100 -0.499 0.000 1.147 418 T CB -0.430 68.204 68.868 -0.391 0.000 0.865 418 T HN 0.282 nan 8.240 nan 0.000 0.426 419 F N 1.579 121.075 119.950 -0.757 0.000 2.126 419 F HA 0.032 4.558 4.527 -0.001 0.000 0.299 419 F C 2.168 177.414 175.800 -0.924 0.000 1.096 419 F CA 0.132 57.558 58.000 -0.956 0.000 1.255 419 F CB -1.424 36.979 39.000 -0.995 0.000 0.997 419 F HN 0.102 nan 8.300 nan 0.000 0.479 420 L N -0.478 120.464 121.223 -0.469 0.000 2.349 420 L HA -0.237 4.103 4.340 -0.001 0.000 0.220 420 L C 2.283 179.032 176.870 -0.202 0.000 1.130 420 L CA 0.936 55.629 54.840 -0.246 0.000 0.791 420 L CB -0.650 41.309 42.059 -0.166 0.000 0.918 420 L HN 0.286 nan 8.230 nan 0.000 0.444 421 Q N -0.437 119.135 119.800 -0.379 0.000 2.083 421 Q HA -0.045 4.294 4.340 -0.001 0.000 0.198 421 Q C 0.536 176.552 176.000 0.027 0.000 0.969 421 Q CA 0.670 56.349 55.803 -0.206 0.000 0.838 421 Q CB -0.049 28.526 28.738 -0.271 0.000 0.900 421 Q HN 0.387 nan 8.270 nan 0.000 0.436 422 F N 0.464 120.420 119.950 0.009 0.000 2.545 422 F HA 0.125 4.651 4.527 -0.001 0.000 0.348 422 F C 1.368 177.193 175.800 0.042 0.000 1.163 422 F CA -0.727 57.281 58.000 0.014 0.000 1.331 422 F CB 0.311 39.209 39.000 -0.170 0.000 1.138 422 F HN 0.044 nan 8.300 nan 0.000 0.602 423 G N -0.130 108.807 108.800 0.228 0.000 2.543 423 G HA2 0.470 4.429 3.960 -0.001 0.000 0.267 423 G HA3 0.470 4.429 3.960 -0.001 0.000 0.267 423 G C 0.758 175.755 174.900 0.162 0.000 1.406 423 G CA -0.342 44.854 45.100 0.160 0.000 1.048 423 G HN 1.168 nan 8.290 nan 0.000 0.548 424 G N -2.786 106.087 108.800 0.122 0.000 2.218 424 G HA2 0.254 4.214 3.960 -0.001 0.000 0.216 424 G HA3 0.254 4.214 3.960 -0.001 0.000 0.216 424 G C 1.558 176.533 174.900 0.125 0.000 0.994 424 G CA 0.985 46.156 45.100 0.118 0.000 0.637 424 G HN 2.507 nan 8.290 nan 0.000 0.505 425 G N -0.302 108.584 108.800 0.142 0.000 2.184 425 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.264 425 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.264 425 G C 0.393 175.362 174.900 0.115 0.000 0.975 425 G CA 1.419 46.593 45.100 0.124 0.000 0.642 425 G HN 1.316 nan 8.290 nan 0.000 0.536 426 R N -0.271 120.298 120.500 0.114 0.000 2.590 426 R HA 0.440 4.779 4.340 -0.001 0.000 0.274 426 R C -0.136 176.048 176.300 -0.193 0.000 1.061 426 R CA -0.525 55.547 56.100 -0.048 0.000 1.081 426 R CB 0.155 30.394 30.300 -0.101 0.000 0.984 426 R HN 0.262 nan 8.270 nan 0.000 0.448 427 Y N 3.905 124.000 120.300 -0.342 0.000 2.308 427 Y HA 0.252 4.801 4.550 -0.002 0.000 0.329 427 Y C -1.323 174.265 175.900 -0.519 0.000 1.111 427 Y CA -0.164 57.782 58.100 -0.256 0.000 1.179 427 Y CB 0.754 39.154 38.460 -0.101 0.000 1.201 427 Y HN 0.489 nan 8.280 nan 0.000 0.483 428 Y N 4.577 124.654 120.300 -0.372 0.000 2.429 428 Y HA 0.551 5.101 4.550 -0.002 0.000 0.342 428 Y C -0.294 175.468 175.900 -0.229 0.000 1.004 428 Y CA -1.059 56.927 58.100 -0.190 0.000 1.075 428 Y CB 1.910 40.349 38.460 -0.035 0.000 1.214 428 Y HN 0.383 nan 8.280 nan 0.000 0.455 429 K N 3.211 123.644 120.400 0.055 0.000 2.535 429 K HA 0.465 4.784 4.320 -0.001 0.000 0.251 429 K C -1.663 174.985 176.600 0.081 0.000 0.942 429 K CA -0.562 55.740 56.287 0.025 0.000 0.798 429 K CB 1.766 34.228 32.500 -0.064 0.000 1.267 429 K HN 0.718 nan 8.250 nan 0.000 0.434 430 I N 4.407 125.030 120.570 0.089 0.000 2.322 430 I HA 0.160 4.329 4.170 -0.001 0.000 0.292 430 I C -0.456 175.753 176.117 0.152 0.000 1.060 430 I CA -0.418 60.946 61.300 0.107 0.000 1.309 430 I CB 0.224 38.254 38.000 0.051 0.000 1.415 430 I HN 0.398 nan 8.210 nan 0.000 0.492 431 F N 7.031 126.989 119.950 0.013 0.000 2.402 431 F HA 0.367 4.893 4.527 -0.001 0.000 0.355 431 F C 0.034 175.884 175.800 0.083 0.000 1.123 431 F CA -0.501 57.513 58.000 0.023 0.000 1.021 431 F CB 0.871 39.870 39.000 -0.001 0.000 1.160 431 F HN 0.392 nan 8.300 nan 0.000 0.451 432 E N 5.759 125.716 120.200 -0.405 0.000 2.109 432 E HA 0.115 4.464 4.350 -0.001 0.000 0.278 432 E C 0.271 176.512 176.600 -0.599 0.000 0.954 432 E CA -0.307 55.863 56.400 -0.383 0.000 0.779 432 E CB 0.557 30.103 29.700 -0.257 0.000 1.093 432 E HN 0.719 nan 8.360 nan 0.000 0.401 433 H N 2.602 121.496 119.070 -0.293 0.000 2.582 433 H HA 0.130 4.685 4.556 -0.001 0.000 0.269 433 H C -0.044 175.243 175.328 -0.068 0.000 0.962 433 H CA 0.263 56.190 56.048 -0.202 0.000 1.230 433 H CB 0.057 29.866 29.762 0.079 0.000 1.445 433 H HN 0.603 nan 8.280 nan 0.000 0.528 434 N N 1.267 119.707 118.700 -0.433 0.000 2.708 434 N HA -0.306 4.433 4.740 -0.001 0.000 0.249 434 N C -0.234 175.303 175.510 0.045 0.000 1.097 434 N CA 0.623 53.566 53.050 -0.178 0.000 0.710 434 N CB -1.238 37.184 38.487 -0.109 0.000 1.032 434 N HN 0.509 nan 8.380 nan 0.000 0.551 435 N N -1.056 117.848 118.700 0.339 0.000 2.732 435 N HA -0.233 4.507 4.740 -0.001 0.000 0.250 435 N C -1.148 174.490 175.510 0.213 0.000 1.097 435 N CA 1.596 54.888 53.050 0.404 0.000 0.812 435 N CB -0.315 38.321 38.487 0.249 0.000 1.148 435 N HN 0.496 nan 8.380 nan 0.000 0.572 436 K N -0.202 120.298 120.400 0.166 0.000 2.297 436 K HA 0.169 4.488 4.320 -0.001 0.000 0.286 436 K C 1.213 177.860 176.600 0.079 0.000 1.053 436 K CA 0.216 56.557 56.287 0.090 0.000 0.940 436 K CB 0.681 33.215 32.500 0.055 0.000 1.019 436 K HN 0.097 nan 8.250 nan 0.000 0.475 437 T N 2.408 116.987 114.554 0.041 0.000 2.720 437 T HA -0.187 4.162 4.350 -0.001 0.000 0.268 437 T C 1.357 176.069 174.700 0.020 0.000 1.037 437 T CA 1.783 63.888 62.100 0.009 0.000 1.144 437 T CB -0.131 68.735 68.868 -0.003 0.000 0.864 437 T HN 0.698 nan 8.240 nan 0.000 0.444 438 E N 1.143 121.363 120.200 0.034 0.000 2.331 438 E HA -0.065 4.284 4.350 -0.001 0.000 0.199 438 E C 1.850 178.504 176.600 0.090 0.000 1.008 438 E CA 0.850 57.276 56.400 0.042 0.000 0.843 438 E CB -0.432 29.289 29.700 0.034 0.000 0.761 438 E HN 0.439 nan 8.360 nan 0.000 0.507 439 L N 0.044 121.343 121.223 0.127 0.000 2.388 439 L HA 0.084 4.423 4.340 -0.001 0.000 0.209 439 L C 2.310 179.396 176.870 0.359 0.000 1.061 439 L CA 0.081 55.079 54.840 0.263 0.000 0.834 439 L CB -0.078 42.062 42.059 0.136 0.000 1.029 439 L HN 0.104 nan 8.230 nan 0.000 0.473 440 L N 0.041 121.362 121.223 0.164 0.000 2.083 440 L HA -0.178 4.161 4.340 -0.001 0.000 0.209 440 L C 2.722 179.548 176.870 -0.073 0.000 1.083 440 L CA 1.580 56.414 54.840 -0.011 0.000 0.752 440 L CB -0.517 41.397 42.059 -0.242 0.000 0.899 440 L HN 0.365 nan 8.230 nan 0.000 0.433 441 S N -0.423 115.253 115.700 -0.040 0.000 2.507 441 S HA -0.072 4.397 4.470 -0.001 0.000 0.235 441 S C 1.724 176.288 174.600 -0.060 0.000 0.988 441 S CA 0.662 58.822 58.200 -0.066 0.000 0.944 441 S CB -0.446 62.725 63.200 -0.048 0.000 0.762 441 S HN 0.414 nan 8.310 nan 0.000 0.526 442 L N 0.277 121.499 121.223 -0.001 0.000 2.446 442 L HA 0.239 4.578 4.340 -0.001 0.000 0.219 442 L C 2.185 178.977 176.870 -0.131 0.000 1.116 442 L CA 0.236 55.039 54.840 -0.062 0.000 0.844 442 L CB -0.500 41.612 42.059 0.089 0.000 0.970 442 L HN 0.282 nan 8.230 nan 0.000 0.457 443 I N -0.143 120.346 120.570 -0.134 0.000 2.118 443 I HA -0.309 3.860 4.170 -0.001 0.000 0.241 443 I C 2.537 178.595 176.117 -0.098 0.000 1.070 443 I CA 1.340 62.536 61.300 -0.173 0.000 1.327 443 I CB -0.216 37.686 38.000 -0.164 0.000 1.034 443 I HN 0.366 nan 8.210 nan 0.000 0.405 444 Q N 0.181 119.920 119.800 -0.103 0.000 2.369 444 Q HA -0.152 4.187 4.340 -0.001 0.000 0.206 444 Q C 1.622 177.567 176.000 -0.091 0.000 0.963 444 Q CA 1.039 56.797 55.803 -0.076 0.000 0.894 444 Q CB -0.281 28.416 28.738 -0.069 0.000 0.965 444 Q HN 0.552 nan 8.270 nan 0.000 0.475 445 D N -0.263 120.044 120.400 -0.154 0.000 2.117 445 D HA -0.088 4.551 4.640 -0.001 0.000 0.198 445 D C 1.747 177.898 176.300 -0.249 0.000 0.982 445 D CA 0.747 54.610 54.000 -0.228 0.000 0.828 445 D CB -0.277 40.322 40.800 -0.336 0.000 0.967 445 D HN 0.225 nan 8.370 nan 0.000 0.464 446 F N 1.002 120.847 119.950 -0.176 0.000 2.134 446 F HA -0.095 4.431 4.527 -0.002 0.000 0.299 446 F C 2.505 178.213 175.800 -0.152 0.000 1.097 446 F CA 0.590 58.478 58.000 -0.186 0.000 1.264 446 F CB -0.128 38.710 39.000 -0.269 0.000 1.001 446 F HN -0.107 nan 8.300 nan 0.000 0.479 447 I N -0.485 120.111 120.570 0.044 0.000 2.315 447 I HA -0.219 3.950 4.170 -0.001 0.000 0.248 447 I C 2.686 178.812 176.117 0.015 0.000 1.117 447 I CA 1.390 62.698 61.300 0.013 0.000 1.404 447 I CB -0.982 37.028 38.000 0.016 0.000 1.071 447 I HN 0.174 nan 8.210 nan 0.000 0.419 448 G N -0.382 108.409 108.800 -0.016 0.000 2.448 448 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.219 448 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.219 448 G C 1.591 176.472 174.900 -0.030 0.000 1.127 448 G CA 0.662 45.748 45.100 -0.023 0.000 0.766 448 G HN 0.361 nan 8.290 nan 0.000 0.552 449 S N -0.192 115.484 115.700 -0.041 0.000 2.593 449 S HA 0.332 4.802 4.470 -0.001 0.000 0.217 449 S C 1.867 176.459 174.600 -0.012 0.000 0.966 449 S CA 0.787 58.961 58.200 -0.043 0.000 0.914 449 S CB 0.076 63.237 63.200 -0.065 0.000 0.776 449 S HN 1.105 nan 8.310 nan 0.000 0.523 450 G N 1.312 110.115 108.800 0.005 0.000 2.176 450 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.253 450 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.253 450 G C 0.235 175.110 174.900 -0.040 0.000 0.979 450 G CA 0.197 45.307 45.100 0.015 0.000 0.641 450 G HN 0.505 nan 8.290 nan 0.000 0.530 451 S N 0.043 115.710 115.700 -0.054 0.000 2.593 451 S HA 0.545 5.015 4.470 -0.001 0.000 0.269 451 S C 0.726 175.081 174.600 -0.408 0.000 1.334 451 S CA 0.315 58.422 58.200 -0.154 0.000 1.015 451 S CB 1.609 64.825 63.200 0.026 0.000 0.912 451 S HN 1.395 nan 8.310 nan 0.000 0.541 452 G N 1.371 109.787 108.800 -0.640 0.000 2.437 452 G HA2 0.585 4.544 3.960 -0.001 0.000 0.315 452 G HA3 0.585 4.544 3.960 -0.001 0.000 0.315 452 G C -0.906 173.768 174.900 -0.376 0.000 1.210 452 G CA -0.573 43.938 45.100 -0.982 0.000 0.943 452 G HN 0.555 nan 8.290 nan 0.000 0.471 453 L N 2.564 123.605 121.223 -0.304 0.000 2.329 453 L HA 0.555 4.894 4.340 -0.001 0.000 0.279 453 L C -0.365 176.596 176.870 0.152 0.000 1.014 453 L CA -0.879 53.928 54.840 -0.054 0.000 0.814 453 L CB 2.296 44.288 42.059 -0.111 0.000 1.257 453 L HN 0.336 nan 8.230 nan 0.000 0.424 454 I N 4.236 124.933 120.570 0.212 0.000 2.354 454 I HA 0.352 4.521 4.170 -0.001 0.000 0.286 454 I C -0.360 175.891 176.117 0.223 0.000 1.007 454 I CA -0.159 61.288 61.300 0.244 0.000 1.167 454 I CB 1.502 39.626 38.000 0.206 0.000 1.320 454 I HN 0.400 nan 8.210 nan 0.000 0.458 455 I N 9.024 129.741 120.570 0.244 0.000 2.330 455 I HA 0.248 4.418 4.170 -0.001 0.000 0.286 455 I C -1.244 174.982 176.117 0.181 0.000 1.025 455 I CA -1.731 59.736 61.300 0.279 0.000 1.197 455 I CB 1.390 39.633 38.000 0.405 0.000 1.358 455 I HN 0.369 nan 8.210 nan 0.000 0.467 456 P HA -0.171 nan 4.420 nan 0.000 0.217 456 P C -0.437 176.888 177.300 0.042 0.000 1.148 456 P CA 1.562 64.695 63.100 0.054 0.000 0.828 456 P CB 0.116 31.824 31.700 0.015 0.000 0.783 457 N N -1.770 116.973 118.700 0.072 0.000 2.591 457 N HA 0.194 4.933 4.740 -0.001 0.000 0.263 457 N C -0.841 174.739 175.510 0.117 0.000 1.308 457 N CA -0.829 52.251 53.050 0.051 0.000 0.837 457 N CB 1.228 39.721 38.487 0.011 0.000 1.548 457 N HN -0.071 nan 8.380 nan 0.000 0.493 458 Q N 0.078 119.859 119.800 -0.032 0.000 2.394 458 Q HA 0.193 4.532 4.340 -0.001 0.000 0.248 458 Q C -0.685 175.302 176.000 -0.022 0.000 0.992 458 Q CA -0.275 55.379 55.803 -0.249 0.000 0.888 458 Q CB 0.885 29.399 28.738 -0.373 0.000 1.257 458 Q HN 0.596 nan 8.270 nan 0.000 0.462 459 W N -0.031 121.341 121.300 0.121 0.000 2.332 459 W HA 0.399 5.058 4.660 -0.002 0.000 0.351 459 W C -0.237 176.322 176.519 0.066 0.000 1.195 459 W CA -1.065 56.350 57.345 0.117 0.000 1.334 459 W CB 0.368 29.744 29.460 -0.140 0.000 1.206 459 W HN 0.294 nan 8.180 nan 0.000 0.637 460 E N 1.440 121.831 120.200 0.318 0.000 2.398 460 E HA -0.067 4.282 4.350 -0.001 0.000 0.263 460 E C 0.772 177.520 176.600 0.246 0.000 1.046 460 E CA 0.121 56.639 56.400 0.195 0.000 0.908 460 E CB 0.517 30.310 29.700 0.154 0.000 0.963 460 E HN 0.464 nan 8.360 nan 0.000 0.431 461 D N 1.106 121.593 120.400 0.145 0.000 2.182 461 D HA -0.176 4.463 4.640 -0.001 0.000 0.201 461 D C 0.958 177.344 176.300 0.143 0.000 0.986 461 D CA 1.211 55.297 54.000 0.143 0.000 0.847 461 D CB -0.090 40.757 40.800 0.079 0.000 0.942 461 D HN 0.495 nan 8.370 nan 0.000 0.467 462 D N -0.067 120.403 120.400 0.116 0.000 2.348 462 D HA -0.092 4.547 4.640 -0.001 0.000 0.248 462 D C 0.839 177.190 176.300 0.085 0.000 1.142 462 D CA 0.338 54.389 54.000 0.086 0.000 0.904 462 D CB 0.090 40.930 40.800 0.066 0.000 0.901 462 D HN 0.069 nan 8.370 nan 0.000 0.523 463 K N -0.334 120.143 120.400 0.128 0.000 2.521 463 K HA 0.053 4.372 4.320 -0.001 0.000 0.213 463 K C 0.677 177.271 176.600 -0.009 0.000 1.223 463 K CA -0.226 56.094 56.287 0.055 0.000 1.013 463 K CB 0.664 33.205 32.500 0.069 0.000 1.017 463 K HN -0.084 nan 8.250 nan 0.000 0.591 464 D N 2.002 122.494 120.400 0.154 0.000 2.157 464 D HA -0.189 4.450 4.640 -0.001 0.000 0.191 464 D C 1.814 178.122 176.300 0.012 0.000 1.004 464 D CA 2.301 56.409 54.000 0.181 0.000 0.854 464 D CB -0.114 40.812 40.800 0.210 0.000 0.936 464 D HN 0.215 nan 8.370 nan 0.000 0.446 465 S N -0.224 115.483 115.700 0.011 0.000 2.387 465 S HA -0.187 4.282 4.470 -0.001 0.000 0.230 465 S C 2.208 176.769 174.600 -0.065 0.000 1.035 465 S CA 1.410 59.602 58.200 -0.013 0.000 1.014 465 S CB -0.820 62.380 63.200 0.000 0.000 0.836 465 S HN 0.157 nan 8.310 nan 0.000 0.466 466 V N 1.280 121.124 119.914 -0.117 0.000 2.594 466 V HA 0.015 4.134 4.120 -0.001 0.000 0.253 466 V C 1.066 177.031 176.094 -0.216 0.000 1.069 466 V CA 0.885 63.091 62.300 -0.156 0.000 1.082 466 V CB -0.783 30.930 31.823 -0.183 0.000 0.680 466 V HN 0.481 nan 8.190 nan 0.000 0.469 467 V N 0.704 120.433 119.914 -0.308 0.000 2.394 467 V HA 0.659 4.778 4.120 -0.001 0.000 0.282 467 V C 0.806 176.808 176.094 -0.152 0.000 1.031 467 V CA -0.457 61.643 62.300 -0.333 0.000 0.881 467 V CB 0.727 32.121 31.823 -0.716 0.000 0.982 467 V HN 0.317 nan 8.190 nan 0.000 0.451 468 G N 3.388 112.126 108.800 -0.104 0.000 2.544 468 G HA2 0.249 4.208 3.960 -0.001 0.000 0.242 468 G HA3 0.249 4.208 3.960 -0.001 0.000 0.242 468 G C 0.670 175.561 174.900 -0.014 0.000 1.247 468 G CA -0.410 44.665 45.100 -0.041 0.000 0.840 468 G HN 0.935 nan 8.290 nan 0.000 0.578 469 K N 0.271 120.679 120.400 0.014 0.000 2.374 469 K HA 0.121 4.440 4.320 -0.001 0.000 0.196 469 K C 0.742 177.335 176.600 -0.011 0.000 1.023 469 K CA -0.349 55.954 56.287 0.026 0.000 1.103 469 K CB 0.315 32.844 32.500 0.049 0.000 0.848 469 K HN 0.350 nan 8.250 nan 0.000 0.528 470 Q N 2.712 122.510 119.800 -0.003 0.000 2.289 470 Q HA 0.016 4.355 4.340 -0.001 0.000 0.273 470 Q C -0.618 175.368 176.000 -0.023 0.000 1.029 470 Q CA 0.938 56.744 55.803 0.004 0.000 0.896 470 Q CB -0.060 28.698 28.738 0.033 0.000 1.182 470 Q HN 0.443 nan 8.270 nan 0.000 0.385 471 N N 1.286 119.946 118.700 -0.066 0.000 2.725 471 N HA -0.187 4.552 4.740 -0.001 0.000 0.249 471 N C -1.293 173.974 175.510 -0.405 0.000 1.103 471 N CA 0.277 53.254 53.050 -0.121 0.000 0.707 471 N CB -0.860 37.772 38.487 0.241 0.000 1.043 471 N HN 0.226 nan 8.380 nan 0.000 0.553 472 V N 1.637 121.243 119.914 -0.514 0.000 2.384 472 V HA 0.417 4.536 4.120 -0.001 0.000 0.287 472 V C -0.385 175.412 176.094 -0.495 0.000 1.020 472 V CA -0.394 61.730 62.300 -0.293 0.000 0.850 472 V CB 0.719 32.533 31.823 -0.014 0.000 0.987 472 V HN 0.090 nan 8.190 nan 0.000 0.436 473 Y N 4.120 124.484 120.300 0.106 0.000 2.376 473 Y HA 0.533 5.082 4.550 -0.002 0.000 0.340 473 Y C -0.036 175.844 175.900 -0.034 0.000 0.965 473 Y CA -0.776 57.332 58.100 0.013 0.000 1.078 473 Y CB 1.798 40.214 38.460 -0.074 0.000 1.193 473 Y HN 0.403 nan 8.280 nan 0.000 0.452 474 L N 5.146 126.406 121.223 0.061 0.000 2.276 474 L HA 0.380 4.719 4.340 -0.001 0.000 0.286 474 L C -1.122 175.720 176.870 -0.047 0.000 1.061 474 L CA -0.940 53.892 54.840 -0.013 0.000 0.807 474 L CB 1.004 43.039 42.059 -0.040 0.000 1.177 474 L HN 0.616 nan 8.230 nan 0.000 0.429 475 L N 5.455 126.655 121.223 -0.040 0.000 2.264 475 L HA 0.489 4.828 4.340 -0.001 0.000 0.287 475 L C -0.958 175.887 176.870 -0.041 0.000 1.039 475 L CA 0.401 55.210 54.840 -0.051 0.000 0.829 475 L CB 1.059 43.107 42.059 -0.019 0.000 1.211 475 L HN 0.662 nan 8.230 nan 0.000 0.427 476 D N 0.762 121.137 120.400 -0.042 0.000 2.653 476 D HA 0.301 4.940 4.640 -0.001 0.000 0.258 476 D C 0.733 177.019 176.300 -0.024 0.000 1.252 476 D CA 0.341 54.321 54.000 -0.033 0.000 0.777 476 D CB 1.679 42.455 40.800 -0.040 0.000 1.339 476 D HN 0.512 nan 8.370 nan 0.000 0.422 477 T N -1.440 113.102 114.554 -0.019 0.000 2.985 477 T HA 0.059 4.408 4.350 -0.001 0.000 0.266 477 T C 1.242 175.936 174.700 -0.009 0.000 1.076 477 T CA 0.689 62.782 62.100 -0.011 0.000 1.135 477 T CB -0.381 68.481 68.868 -0.010 0.000 0.890 477 T HN 0.382 nan 8.240 nan 0.000 0.480 478 S N 2.029 117.721 115.700 -0.013 0.000 2.572 478 S HA 0.096 4.565 4.470 -0.001 0.000 0.267 478 S C 1.684 176.283 174.600 -0.003 0.000 1.361 478 S CA 0.011 58.206 58.200 -0.008 0.000 1.009 478 S CB 0.816 64.008 63.200 -0.013 0.000 0.888 478 S HN 0.590 nan 8.310 nan 0.000 0.553 479 S N 1.023 116.724 115.700 0.003 0.000 2.406 479 S HA -0.094 4.375 4.470 -0.001 0.000 0.228 479 S C 1.678 176.286 174.600 0.014 0.000 1.020 479 S CA 0.738 58.944 58.200 0.010 0.000 0.965 479 S CB -1.141 62.066 63.200 0.013 0.000 0.798 479 S HN 1.200 nan 8.310 nan 0.000 0.488 480 S N 1.351 117.058 115.700 0.011 0.000 2.701 480 S HA 0.589 5.058 4.470 -0.001 0.000 0.220 480 S C 0.562 175.169 174.600 0.012 0.000 0.954 480 S CA -0.187 58.022 58.200 0.016 0.000 0.936 480 S CB -0.554 62.654 63.200 0.013 0.000 0.777 480 S HN 0.733 nan 8.310 nan 0.000 0.518 481 A N 1.302 124.123 122.820 0.002 0.000 2.340 481 A HA 0.415 4.734 4.320 -0.001 0.000 0.268 481 A C 0.844 178.421 177.584 -0.010 0.000 1.100 481 A CA -0.557 51.471 52.037 -0.014 0.000 0.803 481 A CB 0.394 19.375 19.000 -0.031 0.000 1.043 481 A HN 0.316 nan 8.150 nan 0.000 0.488 482 D N 0.847 121.230 120.400 -0.028 0.000 2.162 482 D HA 0.010 4.649 4.640 -0.001 0.000 0.203 482 D C 0.129 176.276 176.300 -0.256 0.000 0.967 482 D CA 1.490 55.462 54.000 -0.046 0.000 0.840 482 D CB 0.165 40.989 40.800 0.041 0.000 0.972 482 D HN 0.543 nan 8.370 nan 0.000 0.482 483 I N 1.631 122.013 120.570 -0.313 0.000 2.464 483 I HA 0.124 4.293 4.170 -0.001 0.000 0.277 483 I C -0.084 175.959 176.117 -0.124 0.000 1.040 483 I CA -0.479 60.625 61.300 -0.326 0.000 1.153 483 I CB 1.507 39.234 38.000 -0.455 0.000 1.274 483 I HN -0.256 nan 8.210 nan 0.000 0.469 484 Q N 5.969 125.735 119.800 -0.056 0.000 2.293 484 Q HA 0.386 4.725 4.340 -0.001 0.000 0.263 484 Q C -0.815 175.181 176.000 -0.006 0.000 1.002 484 Q CA -0.382 55.408 55.803 -0.021 0.000 0.910 484 Q CB 0.988 29.726 28.738 0.001 0.000 1.185 484 Q HN 0.597 nan 8.270 nan 0.000 0.401 485 L N 3.534 124.753 121.223 -0.007 0.000 2.397 485 L HA 0.081 4.420 4.340 -0.001 0.000 0.271 485 L C 1.417 178.295 176.870 0.012 0.000 1.148 485 L CA 0.009 54.853 54.840 0.006 0.000 0.825 485 L CB 0.771 42.829 42.059 -0.001 0.000 1.117 485 L HN 0.820 nan 8.230 nan 0.000 0.456 486 E N 1.231 121.445 120.200 0.024 0.000 2.106 486 E HA -0.111 4.239 4.350 -0.001 0.000 0.192 486 E C 0.173 176.782 176.600 0.014 0.000 0.984 486 E CA 0.948 57.363 56.400 0.025 0.000 0.806 486 E CB 0.403 30.129 29.700 0.043 0.000 0.750 486 E HN 0.699 nan 8.360 nan 0.000 0.458 487 S N -2.821 112.883 115.700 0.008 0.000 2.587 487 S HA 0.565 5.034 4.470 -0.001 0.000 0.269 487 S C 0.439 175.034 174.600 -0.009 0.000 1.154 487 S CA -0.463 57.736 58.200 -0.002 0.000 0.824 487 S CB 0.997 64.194 63.200 -0.004 0.000 1.118 487 S HN 0.068 nan 8.310 nan 0.000 0.462 488 A N 0.749 123.562 122.820 -0.012 0.000 2.019 488 A HA 0.015 4.334 4.320 -0.001 0.000 0.219 488 A C 1.281 178.852 177.584 -0.022 0.000 1.164 488 A CA 1.887 53.915 52.037 -0.016 0.000 0.644 488 A CB -0.961 18.029 19.000 -0.016 0.000 0.805 488 A HN 0.965 nan 8.150 nan 0.000 0.449 489 D N -0.820 119.564 120.400 -0.027 0.000 2.424 489 D HA 0.104 4.743 4.640 -0.001 0.000 0.220 489 D C 0.348 176.614 176.300 -0.056 0.000 1.150 489 D CA -0.321 53.657 54.000 -0.038 0.000 0.831 489 D CB -0.746 40.032 40.800 -0.036 0.000 0.981 489 D HN 0.508 nan 8.370 nan 0.000 0.500 490 E N 1.377 121.548 120.200 -0.050 0.000 2.534 490 E HA 0.012 4.361 4.350 -0.001 0.000 0.264 490 E C -2.032 174.491 176.600 -0.128 0.000 0.981 490 E CA -1.198 55.156 56.400 -0.076 0.000 0.948 490 E CB 0.499 30.188 29.700 -0.019 0.000 0.934 490 E HN 0.027 nan 8.360 nan 0.000 0.459 491 P HA -0.055 nan 4.420 nan 0.000 0.265 491 P C 0.442 177.660 177.300 -0.137 0.000 1.193 491 P CA 0.322 63.254 63.100 -0.280 0.000 0.765 491 P CB 0.447 31.797 31.700 -0.583 0.000 0.823 492 I N 1.722 122.248 120.570 -0.073 0.000 2.236 492 I HA -0.350 3.819 4.170 -0.001 0.000 0.249 492 I C 2.205 178.331 176.117 0.015 0.000 1.102 492 I CA 2.354 63.637 61.300 -0.028 0.000 1.365 492 I CB -0.522 37.456 38.000 -0.036 0.000 1.051 492 I HN 0.439 nan 8.210 nan 0.000 0.420 493 S N -0.478 115.248 115.700 0.044 0.000 2.383 493 S HA -0.213 4.256 4.470 -0.001 0.000 0.227 493 S C 1.862 176.571 174.600 0.181 0.000 1.026 493 S CA 1.066 59.325 58.200 0.099 0.000 0.981 493 S CB -0.851 62.421 63.200 0.119 0.000 0.818 493 S HN 0.551 nan 8.310 nan 0.000 0.472 494 H N 0.990 120.060 119.070 -0.000 0.000 2.357 494 H HA 0.100 4.656 4.556 -0.001 0.000 0.301 494 H C 2.135 177.474 175.328 0.017 0.000 1.082 494 H CA 1.388 57.442 56.048 0.009 0.000 1.342 494 H CB -0.167 29.598 29.762 0.006 0.000 1.389 494 H HN 0.373 nan 8.280 nan 0.000 0.511 495 I N 0.528 121.185 120.570 0.145 0.000 2.163 495 I HA -0.263 3.906 4.170 -0.001 0.000 0.243 495 I C 2.452 178.618 176.117 0.082 0.000 1.085 495 I CA 0.837 62.187 61.300 0.083 0.000 1.347 495 I CB -0.213 37.810 38.000 0.039 0.000 1.044 495 I HN 0.055 nan 8.210 nan 0.000 0.408 496 V N 0.532 120.486 119.914 0.067 0.000 2.332 496 V HA -0.362 3.757 4.120 -0.001 0.000 0.248 496 V C 2.498 178.667 176.094 0.124 0.000 1.055 496 V CA 2.292 64.630 62.300 0.063 0.000 1.038 496 V CB -0.728 31.102 31.823 0.010 0.000 0.651 496 V HN 0.538 nan 8.190 nan 0.000 0.450 497 Q N -0.120 119.743 119.800 0.105 0.000 2.050 497 Q HA -0.237 4.102 4.340 -0.001 0.000 0.202 497 Q C 2.369 178.446 176.000 0.128 0.000 0.980 497 Q CA 1.759 57.624 55.803 0.104 0.000 0.840 497 Q CB -0.108 28.656 28.738 0.043 0.000 0.898 497 Q HN 0.563 nan 8.270 nan 0.000 0.424 498 K N -0.360 120.107 120.400 0.112 0.000 2.074 498 K HA -0.166 4.153 4.320 -0.001 0.000 0.209 498 K C 2.061 178.762 176.600 0.169 0.000 1.048 498 K CA 1.669 58.027 56.287 0.117 0.000 0.926 498 K CB -0.112 32.438 32.500 0.083 0.000 0.713 498 K HN 0.144 nan 8.250 nan 0.000 0.444 499 V N 0.824 120.849 119.914 0.185 0.000 2.307 499 V HA -0.202 3.917 4.120 -0.001 0.000 0.245 499 V C 2.334 178.658 176.094 0.383 0.000 1.045 499 V CA 1.375 63.826 62.300 0.252 0.000 1.024 499 V CB -0.311 31.683 31.823 0.285 0.000 0.651 499 V HN 0.065 nan 8.190 nan 0.000 0.449 500 V N -0.005 120.175 119.914 0.443 0.000 2.287 500 V HA -0.267 3.852 4.120 -0.001 0.000 0.248 500 V C 2.310 178.637 176.094 0.389 0.000 1.053 500 V CA 2.103 64.744 62.300 0.568 0.000 1.027 500 V CB -0.539 31.578 31.823 0.490 0.000 0.646 500 V HN 0.450 nan 8.190 nan 0.000 0.447 501 L N -1.357 120.015 121.223 0.249 0.000 2.201 501 L HA -0.149 4.191 4.340 -0.001 0.000 0.212 501 L C 2.322 179.276 176.870 0.140 0.000 1.105 501 L CA 1.489 56.426 54.840 0.161 0.000 0.775 501 L CB -0.566 41.554 42.059 0.102 0.000 0.913 501 L HN 0.390 nan 8.230 nan 0.000 0.440 502 F N 0.889 120.856 119.950 0.028 0.000 2.113 502 F HA -0.173 4.353 4.527 -0.001 0.000 0.297 502 F C 2.163 177.893 175.800 -0.117 0.000 1.103 502 F CA 1.445 59.412 58.000 -0.055 0.000 1.248 502 F CB -0.117 38.825 39.000 -0.096 0.000 0.999 502 F HN -0.149 nan 8.300 nan 0.000 0.475 503 L N 0.137 121.349 121.223 -0.018 0.000 2.191 503 L HA -0.177 4.162 4.340 -0.001 0.000 0.212 503 L C 2.548 179.300 176.870 -0.196 0.000 1.103 503 L CA 1.460 56.115 54.840 -0.308 0.000 0.769 503 L CB -0.741 40.894 42.059 -0.708 0.000 0.908 503 L HN 0.283 nan 8.230 nan 0.000 0.438 504 E N 0.339 120.552 120.200 0.022 0.000 2.046 504 E HA -0.256 4.094 4.350 -0.001 0.000 0.190 504 E C 1.623 178.188 176.600 -0.058 0.000 0.982 504 E CA 1.374 57.831 56.400 0.095 0.000 0.800 504 E CB 0.099 29.936 29.700 0.229 0.000 0.756 504 E HN 0.366 nan 8.360 nan 0.000 0.449 505 D N 0.485 120.810 120.400 -0.126 0.000 2.182 505 D HA -0.144 4.495 4.640 -0.001 0.000 0.201 505 D C 1.019 177.161 176.300 -0.262 0.000 0.986 505 D CA 1.146 55.039 54.000 -0.178 0.000 0.847 505 D CB -0.222 40.455 40.800 -0.206 0.000 0.942 505 D HN 0.107 nan 8.370 nan 0.000 0.467 506 N N -1.307 117.163 118.700 -0.383 0.000 2.322 506 N HA 0.256 4.995 4.740 -0.001 0.000 0.194 506 N C 0.987 176.250 175.510 -0.412 0.000 1.126 506 N CA 0.579 53.394 53.050 -0.391 0.000 0.845 506 N CB 0.928 39.124 38.487 -0.486 0.000 0.976 506 N HN 0.221 nan 8.380 nan 0.000 0.475 507 G N -0.187 108.427 108.800 -0.311 0.000 2.179 507 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.260 507 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.260 507 G C 0.736 175.415 174.900 -0.369 0.000 0.977 507 G CA 0.094 45.001 45.100 -0.321 0.000 0.641 507 G HN 0.359 nan 8.290 nan 0.000 0.533 508 F N -0.354 119.404 119.950 -0.321 0.000 2.234 508 F HA 0.344 4.870 4.527 -0.001 0.000 0.299 508 F C 1.147 176.772 175.800 -0.292 0.000 1.087 508 F CA 0.852 58.621 58.000 -0.386 0.000 1.340 508 F CB -0.023 38.519 39.000 -0.764 0.000 1.031 508 F HN 0.113 nan 8.300 nan 0.000 0.500 509 F N -0.745 119.186 119.950 -0.031 0.000 2.495 509 F HA 0.581 5.107 4.527 -0.001 0.000 0.327 509 F C -0.319 175.245 175.800 -0.394 0.000 1.103 509 F CA -2.131 55.717 58.000 -0.253 0.000 0.949 509 F CB 1.305 40.134 39.000 -0.285 0.000 1.142 509 F HN -0.567 nan 8.300 nan 0.000 0.457 510 V N 4.193 123.862 119.914 -0.408 0.000 2.577 510 V HA 0.502 4.621 4.120 -0.001 0.000 0.303 510 V C -0.702 175.034 176.094 -0.597 0.000 1.042 510 V CA -0.855 61.236 62.300 -0.348 0.000 0.872 510 V CB 1.473 33.205 31.823 -0.152 0.000 0.998 510 V HN 0.529 nan 8.190 nan 0.000 0.423 511 F N 0.000 119.921 119.950 -0.049 0.000 2.286 511 F HA 0.000 4.526 4.527 -0.002 0.000 0.279 511 F CA 0.000 57.964 58.000 -0.060 0.000 1.383 511 F CB 0.000 38.936 39.000 -0.107 0.000 1.145 511 F HN 0.000 nan 8.300 nan 0.000 0.574