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 1ea6_1_A DATA FIRST_RESID 27 DATA SEQUENCE CSGQVVLSLS TAVKELVENS LDAGATNIDL KLKDYGVDLI EVSDNGCGVE DATA SEQUENCE EENFEGLTLX XXXXXXXXXX XXXXXXXXXX XXEALSSLCA LSDVTISTCH DATA SEQUENCE ASAKVGTRLM FDHNGKIIQK TPYPRPRGTT VSVQQLFSTL PVRHKEFQRN DATA SEQUENCE IKKEYAKMVQ VLHAYCIISA GIRVSCTNQL GQGKRQPVVC TGGSPSIKEN DATA SEQUENCE IGSVFGQKQL QSLIPFVQLP PSDSVCEEYG LSCSDALHNL FYISGFISQC DATA SEQUENCE THGVGRSSTD RQFFFINRRP CDPAKVCRLV NEVYHMYNRH QYPFVVLNIS DATA SEQUENCE VDSECVXXXX XXXXXXXLLQ EEKLLLAVLK TSLIGMFD 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 27 C HA 0.000 nan 4.460 nan 0.000 0.325 27 C C 0.000 174.995 174.990 0.007 0.000 1.270 27 C CA 0.000 59.024 59.018 0.009 0.000 1.963 27 C CB 0.000 27.745 27.740 0.009 0.000 2.134 28 S N 1.405 117.109 115.700 0.007 0.000 2.204 28 S HA 0.538 5.008 4.470 -0.000 0.000 0.147 28 S C 0.473 175.077 174.600 0.006 0.000 1.711 28 S CA 0.384 58.587 58.200 0.006 0.000 1.274 28 S CB 0.071 63.275 63.200 0.006 0.000 1.257 28 S HN 1.098 nan 8.310 nan 0.000 0.404 29 G N 1.424 110.227 108.800 0.006 0.000 2.474 29 G HA2 0.174 4.133 3.960 -0.000 0.000 0.233 29 G HA3 0.174 4.133 3.960 -0.000 0.000 0.233 29 G C 0.180 175.084 174.900 0.007 0.000 1.278 29 G CA -0.057 45.047 45.100 0.007 0.000 0.861 29 G HN 0.690 nan 8.290 nan 0.000 0.567 30 Q N 1.363 121.167 119.800 0.007 0.000 2.141 30 Q HA 0.223 4.563 4.340 -0.000 0.000 0.248 30 Q C 0.291 176.297 176.000 0.010 0.000 0.834 30 Q CA -0.453 55.354 55.803 0.008 0.000 1.096 30 Q CB 0.446 29.188 28.738 0.006 0.000 1.189 30 Q HN 0.427 nan 8.270 nan 0.000 0.471 31 V N 1.297 121.218 119.914 0.013 0.000 2.814 31 V HA -0.153 3.967 4.120 -0.000 0.000 0.298 31 V C 0.660 176.774 176.094 0.033 0.000 1.195 31 V CA 0.558 62.872 62.300 0.023 0.000 1.323 31 V CB 0.188 32.025 31.823 0.023 0.000 0.842 31 V HN 0.142 nan 8.190 nan 0.000 0.494 32 V N 7.391 127.333 119.914 0.046 0.000 2.425 32 V HA 0.012 4.132 4.120 -0.000 0.000 0.276 32 V C 1.244 177.409 176.094 0.118 0.000 1.017 32 V CA 0.316 62.651 62.300 0.059 0.000 1.062 32 V CB 0.511 32.350 31.823 0.026 0.000 0.997 32 V HN 0.750 nan 8.190 nan 0.000 0.476 33 L N 4.174 125.440 121.223 0.072 0.000 2.179 33 L HA 0.102 4.442 4.340 -0.000 0.000 0.208 33 L C 1.109 178.017 176.870 0.064 0.000 1.096 33 L CA 0.750 55.612 54.840 0.037 0.000 0.779 33 L CB -0.354 41.709 42.059 0.005 0.000 0.922 33 L HN 0.788 nan 8.230 nan 0.000 0.443 34 S N -1.778 113.991 115.700 0.114 0.000 2.685 34 S HA 0.324 4.794 4.470 -0.000 0.000 0.282 34 S C 0.171 174.815 174.600 0.073 0.000 1.159 34 S CA -0.737 57.537 58.200 0.124 0.000 0.833 34 S CB 1.778 65.015 63.200 0.062 0.000 1.151 34 S HN -0.045 nan 8.310 nan 0.000 0.485 35 L N 2.023 123.258 121.223 0.020 0.000 2.017 35 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 35 L C 2.553 179.448 176.870 0.041 0.000 1.073 35 L CA 3.024 57.854 54.840 -0.017 0.000 0.745 35 L CB -1.453 40.700 42.059 0.156 0.000 0.894 35 L HN 0.990 nan 8.230 nan 0.000 0.432 36 S N -1.411 114.330 115.700 0.068 0.000 2.368 36 S HA -0.227 4.243 4.470 -0.000 0.000 0.225 36 S C 1.997 176.626 174.600 0.049 0.000 1.030 36 S CA 1.674 59.908 58.200 0.057 0.000 0.999 36 S CB -1.761 61.474 63.200 0.057 0.000 0.844 36 S HN 0.713 nan 8.310 nan 0.000 0.459 37 T N -0.225 114.355 114.554 0.043 0.000 2.951 37 T HA 0.289 4.638 4.350 -0.000 0.000 0.268 37 T C 1.944 176.650 174.700 0.011 0.000 1.073 37 T CA 0.887 63.010 62.100 0.038 0.000 1.134 37 T CB -0.687 68.205 68.868 0.039 0.000 0.884 37 T HN 0.551 nan 8.240 nan 0.000 0.479 38 A N 1.179 123.991 122.820 -0.012 0.000 1.898 38 A HA 0.113 4.433 4.320 -0.000 0.000 0.216 38 A C 2.573 180.131 177.584 -0.044 0.000 1.181 38 A CA 1.453 53.459 52.037 -0.053 0.000 0.620 38 A CB -1.014 17.916 19.000 -0.116 0.000 0.819 38 A HN 0.408 nan 8.150 nan 0.000 0.442 39 V N 0.098 119.998 119.914 -0.023 0.000 2.548 39 V HA -0.205 3.914 4.120 -0.000 0.000 0.249 39 V C 2.482 178.550 176.094 -0.043 0.000 1.055 39 V CA 2.253 64.539 62.300 -0.023 0.000 1.065 39 V CB -0.553 31.273 31.823 0.006 0.000 0.681 39 V HN 0.692 nan 8.190 nan 0.000 0.462 40 K N -0.058 120.338 120.400 -0.007 0.000 2.007 40 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 40 K C 2.215 178.775 176.600 -0.068 0.000 1.047 40 K CA 1.336 57.620 56.287 -0.005 0.000 0.937 40 K CB -0.105 32.467 32.500 0.120 0.000 0.718 40 K HN 0.303 nan 8.250 nan 0.000 0.438 41 E N 0.842 121.023 120.200 -0.030 0.000 2.097 41 E HA -0.217 4.132 4.350 -0.000 0.000 0.196 41 E C 2.058 178.615 176.600 -0.071 0.000 1.000 41 E CA 0.986 57.362 56.400 -0.039 0.000 0.804 41 E CB -0.245 29.437 29.700 -0.030 0.000 0.740 41 E HN 0.212 nan 8.360 nan 0.000 0.454 42 L N 0.300 121.475 121.223 -0.080 0.000 1.994 42 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 42 L C 2.533 179.334 176.870 -0.114 0.000 1.071 42 L CA 1.137 55.925 54.840 -0.086 0.000 0.745 42 L CB -0.934 41.080 42.059 -0.075 0.000 0.892 42 L HN -0.045 nan 8.230 nan 0.000 0.431 43 V N -0.620 119.193 119.914 -0.168 0.000 2.407 43 V HA -0.274 3.846 4.120 -0.000 0.000 0.248 43 V C 2.438 178.365 176.094 -0.279 0.000 1.055 43 V CA 1.592 63.743 62.300 -0.247 0.000 1.049 43 V CB -0.564 31.023 31.823 -0.393 0.000 0.662 43 V HN 0.492 nan 8.190 nan 0.000 0.455 44 E N -0.033 120.003 120.200 -0.274 0.000 2.150 44 E HA -0.179 4.170 4.350 -0.000 0.000 0.193 44 E C 2.091 178.643 176.600 -0.081 0.000 0.985 44 E CA 0.912 57.209 56.400 -0.172 0.000 0.814 44 E CB -0.217 29.434 29.700 -0.082 0.000 0.752 44 E HN 0.579 nan 8.360 nan 0.000 0.466 45 N N 0.722 119.379 118.700 -0.071 0.000 2.069 45 N HA -0.116 4.624 4.740 -0.000 0.000 0.191 45 N C 1.943 177.433 175.510 -0.033 0.000 1.031 45 N CA 1.092 54.118 53.050 -0.040 0.000 0.852 45 N CB -0.343 38.119 38.487 -0.042 0.000 1.018 45 N HN -0.025 nan 8.380 nan 0.000 0.423 46 S N 1.169 116.838 115.700 -0.051 0.000 2.370 46 S HA -0.019 4.451 4.470 -0.000 0.000 0.226 46 S C 2.156 176.738 174.600 -0.030 0.000 1.033 46 S CA 0.684 58.861 58.200 -0.038 0.000 1.011 46 S CB -0.262 62.907 63.200 -0.051 0.000 0.852 46 S HN 0.263 nan 8.310 nan 0.000 0.457 47 L N 1.327 122.522 121.223 -0.047 0.000 2.046 47 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 47 L C 2.023 178.894 176.870 0.001 0.000 1.077 47 L CA 1.144 55.971 54.840 -0.021 0.000 0.747 47 L CB -0.577 41.469 42.059 -0.021 0.000 0.896 47 L HN 0.227 nan 8.230 nan 0.000 0.432 48 D N 0.103 120.503 120.400 0.000 0.000 2.310 48 D HA -0.075 4.565 4.640 -0.000 0.000 0.212 48 D C 1.862 178.172 176.300 0.017 0.000 0.965 48 D CA 1.123 55.131 54.000 0.013 0.000 0.879 48 D CB 0.216 41.024 40.800 0.014 0.000 0.921 48 D HN 0.291 nan 8.370 nan 0.000 0.510 49 A N -0.020 122.807 122.820 0.013 0.000 2.278 49 A HA 0.386 4.706 4.320 -0.000 0.000 0.212 49 A C 1.575 179.170 177.584 0.017 0.000 1.213 49 A CA 0.739 52.789 52.037 0.023 0.000 0.840 49 A CB -0.303 18.712 19.000 0.024 0.000 0.866 49 A HN 0.180 nan 8.150 nan 0.000 0.489 50 G N -1.149 107.658 108.800 0.011 0.000 2.246 50 G HA2 0.074 4.033 3.960 -0.000 0.000 0.273 50 G HA3 0.074 4.033 3.960 -0.000 0.000 0.273 50 G C 0.366 175.267 174.900 0.002 0.000 1.055 50 G CA 0.442 45.546 45.100 0.007 0.000 0.851 50 G HN 1.549 nan 8.290 nan 0.000 0.500 51 A N -0.595 122.225 122.820 -0.000 0.000 2.351 51 A HA 0.809 5.128 4.320 -0.000 0.000 0.257 51 A C 1.442 179.024 177.584 -0.004 0.000 1.087 51 A CA 1.049 53.085 52.037 -0.003 0.000 0.798 51 A CB 0.605 19.601 19.000 -0.007 0.000 1.033 51 A HN 1.540 nan 8.150 nan 0.000 0.488 52 T N -1.732 112.819 114.554 -0.005 0.000 2.975 52 T HA 0.233 4.583 4.350 -0.000 0.000 0.257 52 T C 0.216 174.913 174.700 -0.006 0.000 1.003 52 T CA 0.343 62.440 62.100 -0.005 0.000 0.932 52 T CB -0.345 68.520 68.868 -0.006 0.000 1.087 52 T HN 0.606 nan 8.240 nan 0.000 0.512 53 N N 0.299 118.996 118.700 -0.005 0.000 2.519 53 N HA 0.566 5.305 4.740 -0.000 0.000 0.286 53 N C -1.806 173.700 175.510 -0.006 0.000 1.079 53 N CA -0.638 52.409 53.050 -0.005 0.000 0.878 53 N CB 1.453 39.938 38.487 -0.003 0.000 1.375 53 N HN 0.207 nan 8.380 nan 0.000 0.514 54 I N 1.926 122.490 120.570 -0.010 0.000 2.410 54 I HA 0.272 4.442 4.170 -0.000 0.000 0.286 54 I C -0.861 175.250 176.117 -0.011 0.000 1.009 54 I CA -0.676 60.615 61.300 -0.015 0.000 1.111 54 I CB 1.511 39.494 38.000 -0.028 0.000 1.262 54 I HN 0.431 nan 8.210 nan 0.000 0.443 55 D N 6.331 126.727 120.400 -0.007 0.000 2.198 55 D HA 0.479 5.119 4.640 -0.000 0.000 0.247 55 D C -1.463 174.836 176.300 -0.002 0.000 1.010 55 D CA -0.471 53.528 54.000 -0.001 0.000 0.880 55 D CB 2.607 43.409 40.800 0.003 0.000 1.209 55 D HN 0.250 nan 8.370 nan 0.000 0.451 56 L N 2.858 124.083 121.223 0.004 0.000 2.372 56 L HA 0.419 4.759 4.340 -0.000 0.000 0.273 56 L C -1.031 175.851 176.870 0.021 0.000 0.989 56 L CA -0.427 54.418 54.840 0.008 0.000 0.841 56 L CB 1.144 43.208 42.059 0.008 0.000 1.225 56 L HN 0.218 nan 8.230 nan 0.000 0.414 57 K N 5.948 126.359 120.400 0.018 0.000 2.235 57 K HA 0.673 4.993 4.320 -0.000 0.000 0.266 57 K C -1.315 175.302 176.600 0.028 0.000 0.980 57 K CA -0.469 55.830 56.287 0.021 0.000 0.849 57 K CB 1.530 34.036 32.500 0.011 0.000 1.098 57 K HN 0.546 nan 8.250 nan 0.000 0.445 58 L N 2.887 124.132 121.223 0.036 0.000 2.346 58 L HA 0.505 4.844 4.340 -0.000 0.000 0.274 58 L C -0.396 176.465 176.870 -0.014 0.000 1.007 58 L CA -0.920 53.947 54.840 0.044 0.000 0.818 58 L CB 1.790 43.919 42.059 0.116 0.000 1.284 58 L HN 0.380 nan 8.230 nan 0.000 0.424 59 K N 2.390 122.778 120.400 -0.019 0.000 2.413 59 K HA 0.262 4.582 4.320 -0.000 0.000 0.257 59 K C -1.117 175.426 176.600 -0.096 0.000 0.946 59 K CA -0.693 55.553 56.287 -0.067 0.000 0.823 59 K CB 1.412 33.893 32.500 -0.032 0.000 1.109 59 K HN 0.588 nan 8.250 nan 0.000 0.427 60 D N 2.988 123.253 120.400 -0.225 0.000 2.699 60 D HA -0.197 4.442 4.640 -0.000 0.000 0.239 60 D C -0.750 175.449 176.300 -0.170 0.000 1.136 60 D CA 0.912 54.754 54.000 -0.264 0.000 0.668 60 D CB -0.925 39.814 40.800 -0.103 0.000 1.060 60 D HN 0.757 nan 8.370 nan 0.000 0.429 61 Y N -1.735 118.457 120.300 -0.181 0.000 3.825 61 Y HA -0.237 4.313 4.550 -0.000 0.000 0.221 61 Y C 1.736 177.679 175.900 0.071 0.000 1.195 61 Y CA 1.812 59.782 58.100 -0.218 0.000 1.699 61 Y CB -1.946 36.233 38.460 -0.467 0.000 1.531 61 Y HN 0.547 nan 8.280 nan 0.000 0.640 62 G N -2.451 106.459 108.800 0.184 0.000 2.241 62 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.244 62 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.244 62 G C 0.951 176.035 174.900 0.307 0.000 0.998 62 G CA 0.259 45.511 45.100 0.253 0.000 0.621 62 G HN 0.564 nan 8.290 nan 0.000 0.519 63 V N 0.883 120.918 119.914 0.202 0.000 2.332 63 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 63 V C 2.375 178.587 176.094 0.198 0.000 1.055 63 V CA 3.005 65.412 62.300 0.177 0.000 1.038 63 V CB -0.215 31.520 31.823 -0.146 0.000 0.651 63 V HN 0.554 nan 8.190 nan 0.000 0.450 64 D N -1.688 118.776 120.400 0.105 0.000 2.259 64 D HA 0.090 4.729 4.640 -0.000 0.000 0.216 64 D C 0.279 176.618 176.300 0.065 0.000 0.961 64 D CA 0.396 54.445 54.000 0.081 0.000 0.878 64 D CB 0.512 41.333 40.800 0.036 0.000 1.009 64 D HN 0.269 nan 8.370 nan 0.000 0.490 65 L N 0.351 121.608 121.223 0.056 0.000 2.472 65 L HA 0.518 4.858 4.340 -0.000 0.000 0.260 65 L C -1.741 175.156 176.870 0.045 0.000 0.963 65 L CA -0.559 54.303 54.840 0.038 0.000 0.829 65 L CB 2.173 44.242 42.059 0.018 0.000 1.348 65 L HN -0.099 nan 8.230 nan 0.000 0.408 66 I N 3.761 124.346 120.570 0.025 0.000 2.517 66 I HA 0.400 4.570 4.170 -0.000 0.000 0.280 66 I C -0.963 175.154 176.117 -0.001 0.000 1.061 66 I CA -0.309 61.004 61.300 0.022 0.000 1.091 66 I CB 1.812 39.818 38.000 0.009 0.000 1.205 66 I HN 0.593 nan 8.210 nan 0.000 0.459 67 E N 5.947 126.149 120.200 0.003 0.000 2.185 67 E HA 0.531 4.880 4.350 -0.000 0.000 0.261 67 E C -1.535 175.060 176.600 -0.008 0.000 0.879 67 E CA -0.602 55.794 56.400 -0.006 0.000 0.756 67 E CB 2.110 31.808 29.700 -0.002 0.000 1.152 67 E HN 0.287 nan 8.360 nan 0.000 0.416 68 V N 3.845 123.748 119.914 -0.018 0.000 2.347 68 V HA 0.297 4.417 4.120 -0.000 0.000 0.280 68 V C -0.365 175.720 176.094 -0.016 0.000 1.021 68 V CA -0.574 61.713 62.300 -0.021 0.000 0.847 68 V CB 1.472 33.272 31.823 -0.037 0.000 0.990 68 V HN 0.629 nan 8.190 nan 0.000 0.444 69 S N 4.073 119.769 115.700 -0.008 0.000 2.489 69 S HA 0.737 5.207 4.470 -0.000 0.000 0.291 69 S C -0.660 173.939 174.600 -0.001 0.000 1.151 69 S CA -0.777 57.424 58.200 0.001 0.000 1.082 69 S CB 1.487 64.693 63.200 0.009 0.000 1.019 69 S HN 1.021 nan 8.310 nan 0.000 0.492 70 D N 0.035 120.438 120.400 0.005 0.000 2.753 70 D HA 0.262 4.902 4.640 -0.000 0.000 0.224 70 D C -1.271 175.035 176.300 0.011 0.000 1.213 70 D CA -0.848 53.153 54.000 0.002 0.000 0.833 70 D CB 0.589 41.385 40.800 -0.007 0.000 1.607 70 D HN 0.310 nan 8.370 nan 0.000 0.463 71 N N 1.161 119.865 118.700 0.007 0.000 2.645 71 N HA 0.461 5.200 4.740 -0.000 0.000 0.233 71 N C -0.100 175.414 175.510 0.006 0.000 1.058 71 N CA -0.499 52.556 53.050 0.009 0.000 0.942 71 N CB 1.099 39.588 38.487 0.004 0.000 1.210 71 N HN 0.588 nan 8.380 nan 0.000 0.512 72 G N -0.236 108.572 108.800 0.013 0.000 3.212 72 G HA2 0.237 4.197 3.960 -0.000 0.000 0.188 72 G HA3 0.237 4.197 3.960 -0.000 0.000 0.188 72 G C 0.746 175.654 174.900 0.013 0.000 1.254 72 G CA -0.261 44.847 45.100 0.013 0.000 0.957 72 G HN 0.651 nan 8.290 nan 0.000 0.596 73 C N -0.702 118.614 119.300 0.027 0.000 2.539 73 C HA 0.550 5.010 4.460 -0.000 0.000 0.268 73 C C 1.705 176.757 174.990 0.104 0.000 1.395 73 C CA 0.155 59.183 59.018 0.017 0.000 1.757 73 C CB -1.579 26.192 27.740 0.052 0.000 1.851 73 C HN 2.077 nan 8.230 nan 0.000 0.545 74 G N 0.274 109.151 108.800 0.128 0.000 2.752 74 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.234 74 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.234 74 G C -0.758 174.301 174.900 0.265 0.000 1.367 74 G CA -0.139 45.070 45.100 0.182 0.000 0.879 74 G HN 1.066 nan 8.290 nan 0.000 0.563 75 V N 0.500 120.573 119.914 0.264 0.000 2.604 75 V HA 0.551 4.671 4.120 -0.000 0.000 0.305 75 V C 0.504 176.715 176.094 0.195 0.000 1.043 75 V CA -0.522 61.920 62.300 0.237 0.000 0.888 75 V CB 1.687 33.689 31.823 0.298 0.000 0.995 75 V HN 0.861 nan 8.190 nan 0.000 0.429 76 E N 1.651 121.767 120.200 -0.140 0.000 2.373 76 E HA 0.132 4.482 4.350 -0.000 0.000 0.263 76 E C 0.762 177.068 176.600 -0.490 0.000 1.073 76 E CA -0.104 56.090 56.400 -0.344 0.000 0.894 76 E CB 0.957 30.357 29.700 -0.500 0.000 1.008 76 E HN 0.780 nan 8.360 nan 0.000 0.420 77 E N 2.019 121.766 120.200 -0.756 0.000 2.472 77 E HA -0.177 4.173 4.350 -0.000 0.000 0.200 77 E C 0.968 177.082 176.600 -0.810 0.000 1.046 77 E CA 0.785 56.326 56.400 -1.431 0.000 0.871 77 E CB 0.184 29.368 29.700 -0.860 0.000 0.806 77 E HN 0.538 nan 8.360 nan 0.000 0.533 78 E N -0.747 119.194 120.200 -0.433 0.000 2.479 78 E HA -0.012 4.337 4.350 -0.000 0.000 0.193 78 E C 0.635 177.149 176.600 -0.144 0.000 1.049 78 E CA 0.034 56.293 56.400 -0.234 0.000 0.870 78 E CB 0.234 29.838 29.700 -0.160 0.000 0.944 78 E HN 0.095 nan 8.360 nan 0.000 0.492 79 N N -0.088 118.526 118.700 -0.143 0.000 2.177 79 N HA 0.097 4.837 4.740 -0.000 0.000 0.218 79 N C 0.399 176.030 175.510 0.201 0.000 1.182 79 N CA -0.156 52.903 53.050 0.016 0.000 0.882 79 N CB 0.152 38.647 38.487 0.012 0.000 1.052 79 N HN 0.068 nan 8.380 nan 0.000 0.519 80 F N 2.130 122.092 119.950 0.020 0.000 2.031 80 F HA -0.071 4.455 4.527 -0.000 0.000 0.295 80 F C 2.495 178.347 175.800 0.087 0.000 1.133 80 F CA 0.843 58.877 58.000 0.056 0.000 1.188 80 F CB -0.902 38.111 39.000 0.021 0.000 0.974 80 F HN 0.157 nan 8.300 nan 0.000 0.473 81 E N -0.178 120.183 120.200 0.269 0.000 2.219 81 E HA -0.175 4.174 4.350 -0.000 0.000 0.198 81 E C 2.231 178.920 176.600 0.148 0.000 0.998 81 E CA 1.114 57.616 56.400 0.169 0.000 0.818 81 E CB -0.464 29.296 29.700 0.100 0.000 0.741 81 E HN 0.399 nan 8.360 nan 0.000 0.477 82 G N 0.269 109.149 108.800 0.133 0.000 2.880 82 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.209 82 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.209 82 G C 1.401 176.357 174.900 0.094 0.000 1.157 82 G CA -0.285 44.871 45.100 0.093 0.000 0.779 82 G HN 0.176 nan 8.290 nan 0.000 0.539 83 L N 1.221 122.527 121.223 0.138 0.000 2.189 83 L HA -0.109 4.231 4.340 -0.000 0.000 0.214 83 L C 2.796 179.665 176.870 -0.003 0.000 1.097 83 L CA 1.797 56.688 54.840 0.085 0.000 0.764 83 L CB -0.217 41.922 42.059 0.134 0.000 0.900 83 L HN 0.418 nan 8.230 nan 0.000 0.436 84 T N -4.296 110.271 114.554 0.022 0.000 3.054 84 T HA 0.252 4.602 4.350 -0.000 0.000 0.255 84 T C 0.114 174.818 174.700 0.006 0.000 1.035 84 T CA -0.294 61.789 62.100 -0.029 0.000 0.941 84 T CB 0.393 69.252 68.868 -0.015 0.000 1.026 84 T HN -0.027 nan 8.240 nan 0.000 0.533 110 A N 1.662 124.464 122.820 -0.029 0.000 1.929 110 A HA -0.003 4.317 4.320 -0.000 0.000 0.216 110 A C 1.620 179.164 177.584 -0.066 0.000 1.176 110 A CA 1.017 53.030 52.037 -0.039 0.000 0.628 110 A CB -0.332 18.647 19.000 -0.036 0.000 0.816 110 A HN 0.600 nan 8.150 nan 0.000 0.444 111 L N 0.481 121.652 121.223 -0.088 0.000 2.093 111 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 111 L C 3.031 179.808 176.870 -0.155 0.000 1.085 111 L CA 1.618 56.371 54.840 -0.145 0.000 0.755 111 L CB -0.383 41.569 42.059 -0.178 0.000 0.904 111 L HN 0.652 nan 8.230 nan 0.000 0.435 112 S N -1.375 114.264 115.700 -0.102 0.000 2.383 112 S HA -0.130 4.340 4.470 -0.000 0.000 0.227 112 S C 2.048 176.621 174.600 -0.045 0.000 1.026 112 S CA 1.199 59.356 58.200 -0.073 0.000 0.981 112 S CB -0.248 62.932 63.200 -0.034 0.000 0.818 112 S HN 0.357 nan 8.310 nan 0.000 0.472 113 S N 2.505 118.182 115.700 -0.039 0.000 2.368 113 S HA 0.131 4.600 4.470 -0.000 0.000 0.224 113 S C 1.853 176.436 174.600 -0.029 0.000 1.029 113 S CA 1.206 59.395 58.200 -0.019 0.000 0.988 113 S CB -0.674 62.520 63.200 -0.010 0.000 0.838 113 S HN 0.427 nan 8.310 nan 0.000 0.462 114 L N 0.977 122.162 121.223 -0.063 0.000 2.012 114 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 114 L C 2.716 179.553 176.870 -0.054 0.000 1.073 114 L CA 1.024 55.813 54.840 -0.086 0.000 0.748 114 L CB -0.828 41.161 42.059 -0.118 0.000 0.891 114 L HN 0.400 nan 8.230 nan 0.000 0.431 115 C N -0.257 119.007 119.300 -0.061 0.000 2.393 115 C HA -0.255 4.205 4.460 -0.000 0.000 0.276 115 C C 3.141 178.218 174.990 0.144 0.000 1.215 115 C CA 0.926 59.949 59.018 0.008 0.000 1.743 115 C CB -1.121 26.590 27.740 -0.049 0.000 2.044 115 C HN 0.651 nan 8.230 nan 0.000 0.464 116 A N -0.379 122.485 122.820 0.074 0.000 1.972 116 A HA -0.067 4.253 4.320 -0.000 0.000 0.219 116 A C 1.891 179.451 177.584 -0.040 0.000 1.169 116 A CA 1.444 53.513 52.037 0.053 0.000 0.635 116 A CB -0.467 18.548 19.000 0.025 0.000 0.810 116 A HN 0.684 nan 8.150 nan 0.000 0.446 117 L N -0.475 120.738 121.223 -0.016 0.000 2.640 117 L HA 0.182 4.522 4.340 -0.000 0.000 0.230 117 L C 0.673 177.507 176.870 -0.060 0.000 1.123 117 L CA 0.415 55.236 54.840 -0.030 0.000 0.900 117 L CB -0.212 41.863 42.059 0.026 0.000 1.146 117 L HN 0.559 nan 8.230 nan 0.000 0.484 118 S N -2.883 112.824 115.700 0.013 0.000 2.669 118 S HA 0.287 4.756 4.470 -0.000 0.000 0.266 118 S C -1.758 172.971 174.600 0.215 0.000 1.149 118 S CA -1.066 57.178 58.200 0.073 0.000 0.842 118 S CB 1.603 64.780 63.200 -0.039 0.000 1.160 118 S HN -0.039 nan 8.310 nan 0.000 0.487 119 D N 1.471 121.954 120.400 0.139 0.000 2.396 119 D HA 0.483 5.123 4.640 -0.000 0.000 0.225 119 D C -0.585 175.734 176.300 0.033 0.000 1.121 119 D CA -0.079 53.967 54.000 0.076 0.000 0.853 119 D CB 1.525 42.355 40.800 0.049 0.000 1.043 119 D HN 0.417 nan 8.370 nan 0.000 0.500 120 V N 2.596 122.529 119.914 0.032 0.000 2.407 120 V HA 0.348 4.467 4.120 -0.000 0.000 0.278 120 V C 0.547 176.700 176.094 0.098 0.000 1.037 120 V CA -0.255 62.050 62.300 0.008 0.000 0.900 120 V CB 1.669 33.430 31.823 -0.103 0.000 0.983 120 V HN 0.434 nan 8.190 nan 0.000 0.459 121 T N 6.364 120.947 114.554 0.047 0.000 2.824 121 T HA 0.723 5.073 4.350 -0.000 0.000 0.282 121 T C -0.487 174.224 174.700 0.018 0.000 0.993 121 T CA -0.244 61.884 62.100 0.048 0.000 0.967 121 T CB 1.301 70.151 68.868 -0.030 0.000 0.960 121 T HN 0.410 nan 8.240 nan 0.000 0.441 122 I N 2.711 123.307 120.570 0.042 0.000 2.533 122 I HA 0.473 4.643 4.170 -0.000 0.000 0.290 122 I C 0.006 176.055 176.117 -0.113 0.000 1.056 122 I CA -0.822 60.470 61.300 -0.014 0.000 1.057 122 I CB 2.210 40.241 38.000 0.052 0.000 1.240 122 I HN 0.676 nan 8.210 nan 0.000 0.423 123 S N 3.552 119.174 115.700 -0.130 0.000 2.532 123 S HA 0.853 5.323 4.470 -0.000 0.000 0.301 123 S C -0.602 173.983 174.600 -0.025 0.000 1.083 123 S CA -0.500 57.604 58.200 -0.159 0.000 1.025 123 S CB 2.366 65.401 63.200 -0.276 0.000 1.056 123 S HN 0.702 nan 8.310 nan 0.000 0.494 124 T N 0.341 114.914 114.554 0.031 0.000 2.830 124 T HA 0.559 4.909 4.350 -0.000 0.000 0.322 124 T C -1.973 172.828 174.700 0.169 0.000 1.501 124 T CA -0.462 61.695 62.100 0.094 0.000 1.036 124 T CB 1.311 70.227 68.868 0.080 0.000 1.379 124 T HN 1.244 nan 8.240 nan 0.000 0.493 125 C N 3.935 123.340 119.300 0.174 0.000 2.752 125 C HA 0.636 5.096 4.460 -0.000 0.000 0.360 125 C C -0.894 174.211 174.990 0.192 0.000 1.081 125 C CA -0.532 58.596 59.018 0.183 0.000 1.272 125 C CB 0.545 28.363 27.740 0.130 0.000 1.754 125 C HN 1.032 nan 8.230 nan 0.000 0.483 126 H N 3.368 122.495 119.070 0.095 0.000 2.502 126 H HA 0.453 5.008 4.556 -0.001 0.000 0.338 126 H C 0.986 176.339 175.328 0.042 0.000 1.155 126 H CA 0.521 56.608 56.048 0.065 0.000 1.237 126 H CB 2.374 32.171 29.762 0.058 0.000 1.534 126 H HN 0.905 nan 8.280 nan 0.000 0.523 127 A N 2.790 125.382 122.820 -0.380 0.000 1.927 127 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 127 A C 2.355 179.902 177.584 -0.062 0.000 1.185 127 A CA 2.467 54.377 52.037 -0.211 0.000 0.639 127 A CB -0.962 17.871 19.000 -0.278 0.000 0.820 127 A HN 0.777 nan 8.150 nan 0.000 0.451 128 S N -0.371 115.350 115.700 0.036 0.000 2.481 128 S HA 0.381 4.851 4.470 -0.000 0.000 0.231 128 S C 0.967 175.632 174.600 0.109 0.000 0.996 128 S CA 0.446 58.723 58.200 0.128 0.000 0.942 128 S CB -0.726 62.622 63.200 0.247 0.000 0.768 128 S HN 1.020 nan 8.310 nan 0.000 0.520 129 A N 1.307 124.204 122.820 0.128 0.000 2.401 129 A HA 0.556 4.876 4.320 -0.000 0.000 0.259 129 A C 1.117 178.738 177.584 0.062 0.000 1.103 129 A CA -0.491 51.604 52.037 0.097 0.000 0.789 129 A CB 0.490 19.572 19.000 0.136 0.000 1.035 129 A HN 0.248 nan 8.150 nan 0.000 0.491 130 K N 0.961 121.389 120.400 0.048 0.000 2.186 130 K HA 0.185 4.504 4.320 -0.000 0.000 0.202 130 K C -0.129 176.493 176.600 0.037 0.000 1.052 130 K CA 1.191 57.498 56.287 0.033 0.000 0.965 130 K CB 0.105 32.619 32.500 0.024 0.000 0.746 130 K HN 0.521 nan 8.250 nan 0.000 0.457 131 V N -0.546 119.401 119.914 0.055 0.000 3.012 131 V HA 0.475 4.595 4.120 -0.000 0.000 0.307 131 V C 0.274 176.431 176.094 0.104 0.000 1.166 131 V CA -1.049 61.287 62.300 0.060 0.000 0.974 131 V CB 1.530 33.382 31.823 0.049 0.000 1.040 131 V HN 0.206 nan 8.190 nan 0.000 0.428 132 G N 1.586 110.453 108.800 0.111 0.000 2.684 132 G HA2 0.540 4.500 3.960 -0.000 0.000 0.255 132 G HA3 0.540 4.500 3.960 -0.000 0.000 0.255 132 G C -0.337 174.694 174.900 0.218 0.000 1.219 132 G CA 0.051 45.257 45.100 0.177 0.000 0.901 132 G HN 0.714 nan 8.290 nan 0.000 0.548 133 T N -0.575 114.110 114.554 0.219 0.000 2.912 133 T HA 0.520 4.870 4.350 -0.000 0.000 0.299 133 T C -0.404 174.278 174.700 -0.030 0.000 1.052 133 T CA -0.626 61.556 62.100 0.137 0.000 0.996 133 T CB 2.073 71.045 68.868 0.173 0.000 1.070 133 T HN 0.588 nan 8.240 nan 0.000 0.465 134 R N 2.519 122.953 120.500 -0.109 0.000 2.387 134 R HA 0.725 5.064 4.340 -0.000 0.000 0.314 134 R C -1.463 174.678 176.300 -0.265 0.000 0.958 134 R CA -0.671 55.256 56.100 -0.290 0.000 0.846 134 R CB 0.572 30.607 30.300 -0.443 0.000 1.147 134 R HN 0.559 nan 8.270 nan 0.000 0.447 135 L N 5.184 126.232 121.223 -0.292 0.000 2.365 135 L HA 0.545 4.885 4.340 -0.000 0.000 0.273 135 L C -0.507 176.180 176.870 -0.304 0.000 1.000 135 L CA -0.814 53.797 54.840 -0.381 0.000 0.819 135 L CB 2.276 44.014 42.059 -0.534 0.000 1.284 135 L HN 0.551 nan 8.230 nan 0.000 0.418 136 M N 3.035 122.406 119.600 -0.381 0.000 2.243 136 M HA 0.519 4.999 4.480 -0.000 0.000 0.324 136 M C -1.329 174.773 176.300 -0.330 0.000 1.031 136 M CA -0.273 54.903 55.300 -0.206 0.000 0.949 136 M CB 1.716 34.226 32.600 -0.150 0.000 1.615 136 M HN 0.250 nan 8.290 nan 0.000 0.430 137 F N 0.894 120.780 119.950 -0.107 0.000 2.492 137 F HA 0.420 4.947 4.527 -0.001 0.000 0.327 137 F C 0.505 176.225 175.800 -0.134 0.000 1.079 137 F CA -1.006 56.936 58.000 -0.097 0.000 0.967 137 F CB 0.948 39.903 39.000 -0.075 0.000 1.169 137 F HN 0.540 nan 8.300 nan 0.000 0.472 138 D N -0.536 119.896 120.400 0.053 0.000 2.478 138 D HA 0.083 4.723 4.640 -0.000 0.000 0.269 138 D C 0.767 177.030 176.300 -0.063 0.000 1.232 138 D CA -0.174 53.764 54.000 -0.103 0.000 1.059 138 D CB 0.226 40.986 40.800 -0.066 0.000 1.104 138 D HN 0.468 nan 8.370 nan 0.000 0.566 139 H N -0.947 118.153 119.070 0.051 0.000 2.546 139 H HA 0.052 4.608 4.556 -0.000 0.000 0.277 139 H C 0.348 175.697 175.328 0.034 0.000 1.004 139 H CA 0.495 56.564 56.048 0.036 0.000 1.231 139 H CB -0.142 29.635 29.762 0.025 0.000 1.382 139 H HN 0.385 nan 8.280 nan 0.000 0.580 140 N N 0.083 118.863 118.700 0.132 0.000 2.268 140 N HA 0.041 4.781 4.740 -0.000 0.000 0.204 140 N C 1.178 176.742 175.510 0.091 0.000 1.124 140 N CA 0.695 53.802 53.050 0.094 0.000 0.838 140 N CB 0.992 39.522 38.487 0.072 0.000 0.994 140 N HN 0.403 nan 8.380 nan 0.000 0.489 141 G N 1.284 110.153 108.800 0.115 0.000 2.168 141 G HA2 -0.324 3.635 3.960 -0.000 0.000 0.263 141 G HA3 -0.324 3.635 3.960 -0.000 0.000 0.263 141 G C 0.217 175.278 174.900 0.268 0.000 0.977 141 G CA 0.273 45.461 45.100 0.146 0.000 0.659 141 G HN 0.381 nan 8.290 nan 0.000 0.533 142 K N 0.178 120.685 120.400 0.179 0.000 2.237 142 K HA 0.529 4.849 4.320 -0.000 0.000 0.270 142 K C 0.696 177.321 176.600 0.042 0.000 1.015 142 K CA -0.749 55.604 56.287 0.110 0.000 0.949 142 K CB 0.259 32.785 32.500 0.043 0.000 0.976 142 K HN 0.212 nan 8.250 nan 0.000 0.472 143 I N 5.971 126.482 120.570 -0.099 0.000 2.379 143 I HA -0.027 4.143 4.170 -0.000 0.000 0.290 143 I C 1.343 177.319 176.117 -0.235 0.000 1.063 143 I CA -0.044 61.032 61.300 -0.374 0.000 1.351 143 I CB 0.672 38.463 38.000 -0.349 0.000 1.410 143 I HN 0.691 nan 8.210 nan 0.000 0.505 144 I N 4.438 124.854 120.570 -0.257 0.000 2.270 144 I HA -0.081 4.089 4.170 -0.000 0.000 0.239 144 I C 1.060 177.086 176.117 -0.153 0.000 1.080 144 I CA 0.994 62.199 61.300 -0.159 0.000 1.383 144 I CB 0.068 37.985 38.000 -0.137 0.000 1.097 144 I HN 0.629 nan 8.210 nan 0.000 0.420 145 Q N 1.228 120.909 119.800 -0.199 0.000 2.423 145 Q HA 0.388 4.727 4.340 -0.000 0.000 0.278 145 Q C -1.017 174.865 176.000 -0.197 0.000 1.097 145 Q CA -0.790 54.918 55.803 -0.158 0.000 0.809 145 Q CB 2.374 31.037 28.738 -0.126 0.000 1.391 145 Q HN 0.005 nan 8.270 nan 0.000 0.428 146 K N 2.108 122.431 120.400 -0.128 0.000 2.652 146 K HA 0.406 4.726 4.320 -0.000 0.000 0.249 146 K C -1.918 174.658 176.600 -0.041 0.000 0.986 146 K CA -0.291 55.930 56.287 -0.109 0.000 0.867 146 K CB 1.553 34.015 32.500 -0.062 0.000 1.201 146 K HN 0.792 nan 8.250 nan 0.000 0.450 147 T N 1.172 115.708 114.554 -0.031 0.000 2.900 147 T HA 0.518 4.868 4.350 -0.000 0.000 0.295 147 T C -2.894 171.851 174.700 0.074 0.000 1.044 147 T CA -2.232 59.880 62.100 0.021 0.000 0.995 147 T CB 1.567 70.447 68.868 0.019 0.000 1.072 147 T HN 0.281 nan 8.240 nan 0.000 0.473 148 P HA 0.241 nan 4.420 nan 0.000 0.265 148 P C -1.469 175.942 177.300 0.184 0.000 1.193 148 P CA -0.005 63.166 63.100 0.119 0.000 0.765 148 P CB -0.024 31.722 31.700 0.076 0.000 0.823 149 Y N 4.733 125.046 120.300 0.021 0.000 2.298 149 Y HA 0.329 4.879 4.550 -0.000 0.000 0.322 149 Y C -2.687 173.225 175.900 0.019 0.000 1.138 149 Y CA -2.570 55.537 58.100 0.011 0.000 1.127 149 Y CB 1.900 40.360 38.460 -0.000 0.000 1.178 149 Y HN 0.276 nan 8.280 nan 0.000 0.428 150 P HA 0.234 nan 4.420 nan 0.000 0.270 150 P C -1.353 175.760 177.300 -0.312 0.000 1.242 150 P CA 0.202 63.162 63.100 -0.233 0.000 0.768 150 P CB 0.539 32.118 31.700 -0.202 0.000 0.820 151 R N 3.004 123.443 120.500 -0.102 0.000 2.663 151 R HA 0.694 5.034 4.340 -0.000 0.000 0.267 151 R C -2.940 173.370 176.300 0.017 0.000 1.038 151 R CA -1.986 54.095 56.100 -0.032 0.000 0.886 151 R CB -0.202 30.164 30.300 0.109 0.000 1.249 151 R HN 0.109 nan 8.270 nan 0.000 0.463 152 P HA 0.033 nan 4.420 nan 0.000 0.271 152 P C -0.805 176.516 177.300 0.035 0.000 1.244 152 P CA -0.608 62.502 63.100 0.017 0.000 0.793 152 P CB 0.495 32.201 31.700 0.010 0.000 0.984 153 R N 0.110 120.624 120.500 0.022 0.000 2.585 153 R HA 0.395 4.734 4.340 -0.000 0.000 0.275 153 R C 0.391 176.710 176.300 0.031 0.000 1.018 153 R CA 1.160 57.274 56.100 0.024 0.000 1.072 153 R CB -0.673 29.621 30.300 -0.009 0.000 0.953 153 R HN 0.837 nan 8.270 nan 0.000 0.419 154 G N 1.283 110.114 108.800 0.050 0.000 2.346 154 G HA2 0.001 3.961 3.960 -0.000 0.000 0.294 154 G HA3 0.001 3.961 3.960 -0.000 0.000 0.294 154 G C -1.378 173.561 174.900 0.065 0.000 1.294 154 G CA -0.573 44.557 45.100 0.049 0.000 0.962 154 G HN 0.631 nan 8.290 nan 0.000 0.508 155 T N -0.034 114.548 114.554 0.047 0.000 2.900 155 T HA 0.770 5.120 4.350 -0.000 0.000 0.303 155 T C -0.941 173.772 174.700 0.021 0.000 1.142 155 T CA -0.230 61.894 62.100 0.040 0.000 1.007 155 T CB 2.090 70.979 68.868 0.034 0.000 1.156 155 T HN 0.832 nan 8.240 nan 0.000 0.490 156 T N 1.873 116.433 114.554 0.009 0.000 2.949 156 T HA 0.523 4.873 4.350 -0.000 0.000 0.300 156 T C -0.771 173.914 174.700 -0.025 0.000 0.988 156 T CA -0.486 61.612 62.100 -0.003 0.000 0.993 156 T CB 1.098 69.971 68.868 0.009 0.000 0.984 156 T HN 0.380 nan 8.240 nan 0.000 0.442 157 V N 3.147 123.043 119.914 -0.031 0.000 2.370 157 V HA 0.528 4.648 4.120 -0.000 0.000 0.283 157 V C 0.044 176.113 176.094 -0.042 0.000 1.023 157 V CA -0.674 61.599 62.300 -0.046 0.000 0.857 157 V CB 1.669 33.455 31.823 -0.060 0.000 0.985 157 V HN 0.925 nan 8.190 nan 0.000 0.443 158 S N 3.883 119.559 115.700 -0.041 0.000 2.474 158 S HA 0.508 4.978 4.470 -0.000 0.000 0.321 158 S C -0.256 174.323 174.600 -0.035 0.000 1.080 158 S CA -0.485 57.696 58.200 -0.032 0.000 1.106 158 S CB 1.540 64.724 63.200 -0.027 0.000 0.984 158 S HN 0.460 nan 8.310 nan 0.000 0.464 159 V N 4.911 124.802 119.914 -0.037 0.000 2.288 159 V HA 0.281 4.401 4.120 -0.000 0.000 0.266 159 V C 0.008 176.088 176.094 -0.023 0.000 1.048 159 V CA -0.484 61.787 62.300 -0.048 0.000 0.842 159 V CB 0.646 32.421 31.823 -0.080 0.000 1.064 159 V HN 0.785 nan 8.190 nan 0.000 0.472 160 Q N 3.890 123.687 119.800 -0.005 0.000 2.296 160 Q HA 0.402 4.742 4.340 -0.000 0.000 0.257 160 Q C -0.351 175.670 176.000 0.034 0.000 0.942 160 Q CA -0.325 55.488 55.803 0.017 0.000 0.939 160 Q CB 0.921 29.670 28.738 0.018 0.000 1.198 160 Q HN 0.668 nan 8.270 nan 0.000 0.429 161 Q N 1.238 121.074 119.800 0.060 0.000 2.455 161 Q HA -0.213 4.127 4.340 -0.000 0.000 0.343 161 Q C -0.688 175.367 176.000 0.092 0.000 1.458 161 Q CA -0.028 55.841 55.803 0.110 0.000 0.923 161 Q CB -1.260 27.533 28.738 0.093 0.000 1.149 161 Q HN 0.537 nan 8.270 nan 0.000 0.357 162 L N 0.933 122.170 121.223 0.024 0.000 2.559 162 L HA -0.059 4.281 4.340 -0.000 0.000 0.282 162 L C 0.795 177.602 176.870 -0.105 0.000 1.232 162 L CA 1.421 56.094 54.840 -0.279 0.000 0.885 162 L CB -0.344 41.340 42.059 -0.625 0.000 1.131 162 L HN 0.503 nan 8.230 nan 0.000 0.498 163 F N 0.891 120.874 119.950 0.056 0.000 2.871 163 F HA -0.325 4.202 4.527 -0.000 0.000 0.326 163 F C 1.939 177.796 175.800 0.095 0.000 0.675 163 F CA 1.083 59.127 58.000 0.073 0.000 1.188 163 F CB -2.647 36.413 39.000 0.099 0.000 1.567 163 F HN 0.595 nan 8.300 nan 0.000 0.325 164 S N -1.015 114.784 115.700 0.166 0.000 2.440 164 S HA -0.217 4.253 4.470 -0.000 0.000 0.238 164 S C 1.905 176.475 174.600 -0.049 0.000 1.010 164 S CA 1.566 59.749 58.200 -0.028 0.000 0.972 164 S CB -0.886 62.285 63.200 -0.048 0.000 0.774 164 S HN 0.685 nan 8.310 nan 0.000 0.501 165 T N -0.334 114.182 114.554 -0.064 0.000 3.055 165 T HA 0.260 4.610 4.350 -0.000 0.000 0.265 165 T C 0.599 175.275 174.700 -0.040 0.000 1.111 165 T CA 0.191 62.213 62.100 -0.130 0.000 1.118 165 T CB -0.492 68.201 68.868 -0.292 0.000 0.909 165 T HN 0.395 nan 8.240 nan 0.000 0.501 166 L N 1.676 122.921 121.223 0.036 0.000 2.445 166 L HA 0.364 4.704 4.340 -0.000 0.000 0.252 166 L C -1.933 174.986 176.870 0.080 0.000 1.105 166 L CA -2.343 52.522 54.840 0.042 0.000 0.943 166 L CB 1.803 43.883 42.059 0.036 0.000 1.277 166 L HN -0.085 nan 8.230 nan 0.000 0.465 167 P HA -0.244 nan 4.420 nan 0.000 0.217 167 P C 1.830 179.204 177.300 0.123 0.000 1.162 167 P CA 1.240 64.389 63.100 0.081 0.000 0.901 167 P CB 0.315 32.036 31.700 0.035 0.000 0.793 168 V N -0.340 119.609 119.914 0.059 0.000 2.252 168 V HA -0.273 3.847 4.120 -0.000 0.000 0.249 168 V C 2.611 178.715 176.094 0.017 0.000 1.056 168 V CA 2.321 64.642 62.300 0.034 0.000 1.022 168 V CB -1.052 30.772 31.823 0.001 0.000 0.641 168 V HN 0.029 nan 8.190 nan 0.000 0.445 169 R N -0.231 120.252 120.500 -0.027 0.000 2.148 169 R HA -0.160 4.179 4.340 -0.000 0.000 0.227 169 R C 2.235 178.487 176.300 -0.079 0.000 1.103 169 R CA 1.849 57.849 56.100 -0.166 0.000 0.983 169 R CB -0.831 29.252 30.300 -0.362 0.000 0.874 169 R HN 0.785 nan 8.270 nan 0.000 0.451 170 H N -0.530 118.571 119.070 0.051 0.000 2.428 170 H HA 0.047 4.603 4.556 -0.000 0.000 0.296 170 H C 1.529 176.988 175.328 0.219 0.000 1.062 170 H CA 1.722 57.924 56.048 0.257 0.000 1.350 170 H CB 0.189 30.091 29.762 0.233 0.000 1.403 170 H HN 0.012 nan 8.280 nan 0.000 0.533 171 K N 0.528 120.989 120.400 0.102 0.000 2.116 171 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 171 K C 2.221 178.815 176.600 -0.011 0.000 1.052 171 K CA 1.243 57.544 56.287 0.022 0.000 0.952 171 K CB 0.016 32.566 32.500 0.084 0.000 0.729 171 K HN 0.455 nan 8.250 nan 0.000 0.446 172 E N -0.827 119.381 120.200 0.013 0.000 2.110 172 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 172 E C 1.660 178.298 176.600 0.063 0.000 0.988 172 E CA 1.005 57.410 56.400 0.009 0.000 0.804 172 E CB -0.210 29.475 29.700 -0.024 0.000 0.745 172 E HN 0.261 nan 8.360 nan 0.000 0.458 173 F N 1.740 121.627 119.950 -0.104 0.000 2.102 173 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 173 F C 2.011 177.776 175.800 -0.059 0.000 1.105 173 F CA 1.807 59.783 58.000 -0.039 0.000 1.239 173 F CB -0.539 38.515 39.000 0.090 0.000 0.991 173 F HN 0.062 nan 8.300 nan 0.000 0.474 174 Q N -0.173 119.475 119.800 -0.253 0.000 2.079 174 Q HA -0.159 4.180 4.340 -0.000 0.000 0.200 174 Q C 2.306 178.190 176.000 -0.194 0.000 0.974 174 Q CA 1.643 57.243 55.803 -0.339 0.000 0.840 174 Q CB -0.214 28.360 28.738 -0.273 0.000 0.898 174 Q HN 0.440 nan 8.270 nan 0.000 0.430 175 R N 0.431 120.866 120.500 -0.107 0.000 2.075 175 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 175 R C 1.767 178.027 176.300 -0.066 0.000 1.126 175 R CA 1.097 57.155 56.100 -0.070 0.000 0.963 175 R CB -0.136 30.142 30.300 -0.037 0.000 0.858 175 R HN 0.249 nan 8.270 nan 0.000 0.435 176 N N 0.897 119.572 118.700 -0.042 0.000 2.446 176 N HA -0.073 4.667 4.740 -0.000 0.000 0.179 176 N C 1.618 177.105 175.510 -0.039 0.000 1.054 176 N CA 0.311 53.349 53.050 -0.019 0.000 0.905 176 N CB -0.044 38.461 38.487 0.031 0.000 0.973 176 N HN 0.046 nan 8.380 nan 0.000 0.448 177 I N 2.266 122.771 120.570 -0.109 0.000 2.438 177 I HA -0.446 3.724 4.170 -0.000 0.000 0.241 177 I C 1.883 177.913 176.117 -0.145 0.000 0.951 177 I CA 1.744 62.934 61.300 -0.183 0.000 1.271 177 I CB -0.146 37.653 38.000 -0.334 0.000 0.971 177 I HN 0.021 nan 8.210 nan 0.000 0.417 178 K N 0.294 120.594 120.400 -0.167 0.000 2.063 178 K HA -0.187 4.133 4.320 -0.000 0.000 0.208 178 K C 2.111 178.703 176.600 -0.014 0.000 1.048 178 K CA 1.815 58.021 56.287 -0.136 0.000 0.928 178 K CB -0.506 31.927 32.500 -0.112 0.000 0.713 178 K HN 0.524 nan 8.250 nan 0.000 0.442 179 K N 0.767 121.168 120.400 0.002 0.000 2.062 179 K HA -0.065 4.254 4.320 -0.000 0.000 0.205 179 K C 2.053 178.694 176.600 0.067 0.000 1.051 179 K CA 0.690 56.993 56.287 0.028 0.000 0.941 179 K CB 0.038 32.548 32.500 0.018 0.000 0.719 179 K HN 0.153 nan 8.250 nan 0.000 0.440 180 E N 0.302 120.568 120.200 0.111 0.000 2.058 180 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 180 E C 1.956 178.684 176.600 0.213 0.000 0.997 180 E CA 1.347 57.863 56.400 0.194 0.000 0.801 180 E CB -0.260 29.649 29.700 0.349 0.000 0.746 180 E HN 0.312 nan 8.360 nan 0.000 0.450 181 Y N 1.116 121.445 120.300 0.048 0.000 2.200 181 Y HA -0.155 4.395 4.550 -0.000 0.000 0.290 181 Y C 2.271 178.186 175.900 0.026 0.000 1.137 181 Y CA 1.402 59.525 58.100 0.038 0.000 1.163 181 Y CB -0.463 37.943 38.460 -0.090 0.000 0.988 181 Y HN -0.003 nan 8.280 nan 0.000 0.518 182 A N 0.173 123.007 122.820 0.024 0.000 1.933 182 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 182 A C 2.290 179.834 177.584 -0.067 0.000 1.175 182 A CA 1.876 53.880 52.037 -0.055 0.000 0.628 182 A CB -0.743 18.266 19.000 0.014 0.000 0.814 182 A HN 0.512 nan 8.150 nan 0.000 0.444 183 K N -0.901 119.489 120.400 -0.016 0.000 2.097 183 K HA -0.100 4.220 4.320 -0.000 0.000 0.206 183 K C 2.074 178.662 176.600 -0.020 0.000 1.049 183 K CA 1.519 57.804 56.287 -0.003 0.000 0.933 183 K CB -0.209 32.309 32.500 0.029 0.000 0.717 183 K HN 0.503 nan 8.250 nan 0.000 0.442 184 M N 0.667 120.236 119.600 -0.052 0.000 2.200 184 M HA -0.116 4.364 4.480 -0.000 0.000 0.265 184 M C 1.709 177.913 176.300 -0.161 0.000 1.066 184 M CA 1.289 56.548 55.300 -0.068 0.000 1.127 184 M CB 0.031 32.604 32.600 -0.044 0.000 1.379 184 M HN 0.043 nan 8.290 nan 0.000 0.420 185 V N 1.183 120.904 119.914 -0.322 0.000 2.332 185 V HA -0.277 3.843 4.120 -0.000 0.000 0.248 185 V C 2.526 178.428 176.094 -0.321 0.000 1.055 185 V CA 1.561 63.596 62.300 -0.440 0.000 1.038 185 V CB -0.929 30.598 31.823 -0.494 0.000 0.651 185 V HN 0.496 nan 8.190 nan 0.000 0.450 186 Q N -0.319 119.441 119.800 -0.067 0.000 2.084 186 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 186 Q C 2.404 178.527 176.000 0.205 0.000 0.978 186 Q CA 1.546 57.453 55.803 0.174 0.000 0.844 186 Q CB -0.752 28.052 28.738 0.110 0.000 0.898 186 Q HN 0.558 nan 8.270 nan 0.000 0.426 187 V N 1.140 121.117 119.914 0.105 0.000 2.295 187 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 187 V C 2.377 178.600 176.094 0.215 0.000 1.049 187 V CA 1.540 63.936 62.300 0.160 0.000 1.024 187 V CB -0.700 31.211 31.823 0.146 0.000 0.648 187 V HN 0.232 nan 8.190 nan 0.000 0.447 188 L N -0.077 121.205 121.223 0.097 0.000 1.989 188 L HA -0.221 4.119 4.340 -0.000 0.000 0.211 188 L C 2.380 179.328 176.870 0.130 0.000 1.071 188 L CA 2.189 57.082 54.840 0.087 0.000 0.749 188 L CB -1.014 41.006 42.059 -0.064 0.000 0.890 188 L HN 0.445 nan 8.230 nan 0.000 0.431 189 H N -1.229 117.863 119.070 0.037 0.000 2.352 189 H HA -0.169 4.387 4.556 -0.000 0.000 0.299 189 H C 2.153 177.374 175.328 -0.177 0.000 1.097 189 H CA 0.805 56.784 56.048 -0.115 0.000 1.311 189 H CB -0.068 29.641 29.762 -0.089 0.000 1.377 189 H HN 0.562 nan 8.280 nan 0.000 0.504 190 A N 0.918 123.803 122.820 0.109 0.000 1.859 190 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 190 A C 1.954 179.619 177.584 0.136 0.000 1.198 190 A CA 1.880 53.989 52.037 0.119 0.000 0.629 190 A CB -1.190 17.893 19.000 0.139 0.000 0.830 190 A HN 0.449 nan 8.150 nan 0.000 0.446 191 Y N -0.644 119.747 120.300 0.152 0.000 2.274 191 Y HA -0.236 4.314 4.550 -0.000 0.000 0.290 191 Y C 2.857 178.768 175.900 0.018 0.000 1.145 191 Y CA 0.938 59.094 58.100 0.093 0.000 1.203 191 Y CB -0.839 37.660 38.460 0.066 0.000 0.984 191 Y HN 0.407 nan 8.280 nan 0.000 0.533 192 C N -0.288 119.092 119.300 0.133 0.000 2.453 192 C HA -0.171 4.289 4.460 -0.000 0.000 0.277 192 C C 2.719 177.683 174.990 -0.043 0.000 1.262 192 C CA 0.892 59.926 59.018 0.026 0.000 1.718 192 C CB -1.233 26.496 27.740 -0.018 0.000 2.031 192 C HN 0.498 nan 8.230 nan 0.000 0.480 193 I N 0.202 120.720 120.570 -0.087 0.000 2.179 193 I HA -0.195 3.975 4.170 -0.000 0.000 0.242 193 I C 2.288 178.318 176.117 -0.144 0.000 1.088 193 I CA 1.554 62.787 61.300 -0.112 0.000 1.357 193 I CB -0.373 37.563 38.000 -0.108 0.000 1.051 193 I HN 0.234 nan 8.210 nan 0.000 0.409 194 I N 0.040 120.482 120.570 -0.213 0.000 2.716 194 I HA -0.043 4.127 4.170 -0.000 0.000 0.259 194 I C 1.116 177.144 176.117 -0.148 0.000 1.172 194 I CA 0.868 61.958 61.300 -0.351 0.000 1.478 194 I CB -0.056 37.566 38.000 -0.629 0.000 1.104 194 I HN -0.059 nan 8.210 nan 0.000 0.439 195 S N 2.411 118.087 115.700 -0.040 0.000 2.416 195 S HA 0.558 5.028 4.470 -0.000 0.000 0.302 195 S C 0.225 174.811 174.600 -0.022 0.000 1.120 195 S CA -0.357 57.844 58.200 0.002 0.000 1.067 195 S CB -0.037 63.197 63.200 0.057 0.000 1.057 195 S HN 0.354 nan 8.310 nan 0.000 0.518 196 A N 2.418 125.219 122.820 -0.031 0.000 2.310 196 A HA 0.713 5.032 4.320 -0.000 0.000 0.299 196 A C 1.231 178.805 177.584 -0.017 0.000 1.147 196 A CA -0.150 51.871 52.037 -0.028 0.000 0.818 196 A CB 0.021 19.003 19.000 -0.030 0.000 1.096 196 A HN 1.466 nan 8.150 nan 0.000 0.495 197 G N 0.473 109.264 108.800 -0.015 0.000 2.198 197 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.260 197 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.260 197 G C -0.166 174.729 174.900 -0.009 0.000 1.025 197 G CA 0.620 45.713 45.100 -0.011 0.000 0.769 197 G HN 0.934 nan 8.290 nan 0.000 0.507 198 I N -0.240 120.324 120.570 -0.009 0.000 2.534 198 I HA 0.312 4.481 4.170 -0.000 0.000 0.286 198 I C 0.424 176.536 176.117 -0.007 0.000 1.094 198 I CA -0.898 60.399 61.300 -0.005 0.000 1.055 198 I CB 1.662 39.664 38.000 0.002 0.000 1.225 198 I HN -0.035 nan 8.210 nan 0.000 0.435 199 R N 4.726 125.221 120.500 -0.008 0.000 2.296 199 R HA 0.447 4.787 4.340 -0.000 0.000 0.323 199 R C -0.932 175.363 176.300 -0.007 0.000 1.067 199 R CA -0.235 55.859 56.100 -0.010 0.000 0.946 199 R CB 1.149 31.444 30.300 -0.009 0.000 0.991 199 R HN 0.318 nan 8.270 nan 0.000 0.448 200 V N 3.273 123.183 119.914 -0.006 0.000 2.407 200 V HA 0.265 4.385 4.120 -0.000 0.000 0.291 200 V C -0.145 175.948 176.094 -0.001 0.000 1.018 200 V CA -0.544 61.755 62.300 -0.002 0.000 0.842 200 V CB 1.602 33.430 31.823 0.010 0.000 0.996 200 V HN 0.903 nan 8.190 nan 0.000 0.426 201 S N 3.692 119.393 115.700 0.001 0.000 2.568 201 S HA 0.853 5.323 4.470 -0.000 0.000 0.293 201 S C -0.839 173.768 174.600 0.012 0.000 1.089 201 S CA -0.760 57.443 58.200 0.006 0.000 0.945 201 S CB 2.081 65.283 63.200 0.004 0.000 1.077 201 S HN 1.023 nan 8.310 nan 0.000 0.485 202 C N 2.333 121.645 119.300 0.021 0.000 3.090 202 C HA 0.878 5.337 4.460 -0.000 0.000 0.347 202 C C -0.714 174.303 174.990 0.044 0.000 1.147 202 C CA 0.381 59.418 59.018 0.032 0.000 1.305 202 C CB 0.604 28.365 27.740 0.034 0.000 1.692 202 C HN 1.390 nan 8.230 nan 0.000 0.506 203 T N 2.117 116.698 114.554 0.045 0.000 2.903 203 T HA 0.669 5.019 4.350 -0.000 0.000 0.299 203 T C -1.169 173.555 174.700 0.040 0.000 1.093 203 T CA -0.515 61.610 62.100 0.042 0.000 1.002 203 T CB 1.759 70.639 68.868 0.019 0.000 1.127 203 T HN 0.916 nan 8.240 nan 0.000 0.488 204 N N 0.599 119.311 118.700 0.020 0.000 2.272 204 N HA 0.418 5.158 4.740 -0.000 0.000 0.305 204 N C -1.513 173.929 175.510 -0.114 0.000 1.103 204 N CA -0.624 52.396 53.050 -0.051 0.000 0.791 204 N CB 2.325 40.764 38.487 -0.080 0.000 1.356 204 N HN 0.834 nan 8.380 nan 0.000 0.486 205 Q N 3.384 123.088 119.800 -0.160 0.000 2.290 205 Q HA 0.386 4.726 4.340 -0.000 0.000 0.269 205 Q C -1.428 174.447 176.000 -0.208 0.000 1.016 205 Q CA -0.609 55.108 55.803 -0.145 0.000 0.754 205 Q CB 0.937 29.624 28.738 -0.084 0.000 1.247 205 Q HN 0.599 nan 8.270 nan 0.000 0.451 206 L N 4.452 125.546 121.223 -0.215 0.000 2.255 206 L HA 0.500 4.840 4.340 -0.000 0.000 0.289 206 L C 1.116 177.913 176.870 -0.121 0.000 1.046 206 L CA 0.045 54.753 54.840 -0.220 0.000 0.816 206 L CB 0.489 42.414 42.059 -0.223 0.000 1.197 206 L HN 1.060 nan 8.230 nan 0.000 0.427 207 G N 3.547 112.288 108.800 -0.098 0.000 2.622 207 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.307 207 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.307 207 G C 0.447 175.318 174.900 -0.049 0.000 1.226 207 G CA 0.364 45.430 45.100 -0.058 0.000 0.997 207 G HN 0.679 nan 8.290 nan 0.000 0.551 208 Q N 1.336 121.114 119.800 -0.037 0.000 2.220 208 Q HA 0.395 4.734 4.340 -0.000 0.000 0.205 208 Q C 1.509 177.490 176.000 -0.031 0.000 0.865 208 Q CA 0.175 55.960 55.803 -0.029 0.000 0.960 208 Q CB 0.664 29.390 28.738 -0.020 0.000 1.097 208 Q HN 0.802 nan 8.270 nan 0.000 0.493 209 G N 1.501 110.276 108.800 -0.041 0.000 2.631 209 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.271 209 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.271 209 G C -0.365 174.513 174.900 -0.037 0.000 1.302 209 G CA -0.449 44.627 45.100 -0.039 0.000 1.002 209 G HN 0.108 nan 8.290 nan 0.000 0.519 210 K N -0.265 120.117 120.400 -0.031 0.000 2.154 210 K HA 0.202 4.522 4.320 -0.000 0.000 0.264 210 K C 0.338 176.919 176.600 -0.032 0.000 1.008 210 K CA -0.472 55.801 56.287 -0.025 0.000 0.937 210 K CB 0.538 33.029 32.500 -0.015 0.000 1.002 210 K HN 0.413 nan 8.250 nan 0.000 0.469 211 R N 2.491 122.976 120.500 -0.025 0.000 2.570 211 R HA 0.009 4.349 4.340 -0.000 0.000 0.277 211 R C -0.117 176.173 176.300 -0.016 0.000 1.039 211 R CA -0.118 55.967 56.100 -0.025 0.000 1.065 211 R CB 0.531 30.822 30.300 -0.014 0.000 0.964 211 R HN 0.531 nan 8.270 nan 0.000 0.428 212 Q N 3.209 122.999 119.800 -0.018 0.000 2.257 212 Q HA 0.404 4.744 4.340 -0.000 0.000 0.262 212 Q C -2.239 173.780 176.000 0.032 0.000 0.997 212 Q CA -2.316 53.490 55.803 0.006 0.000 0.873 212 Q CB 1.566 30.305 28.738 0.002 0.000 1.312 212 Q HN 0.416 nan 8.270 nan 0.000 0.450 213 P HA 0.169 nan 4.420 nan 0.000 0.284 213 P C -0.252 177.105 177.300 0.094 0.000 1.253 213 P CA -0.095 63.039 63.100 0.058 0.000 0.800 213 P CB 1.403 33.133 31.700 0.049 0.000 0.961 214 V N 2.683 122.653 119.914 0.094 0.000 3.058 214 V HA 0.222 4.342 4.120 -0.000 0.000 0.233 214 V C 0.814 176.973 176.094 0.107 0.000 1.255 214 V CA 0.284 62.657 62.300 0.122 0.000 1.267 214 V CB 0.842 32.739 31.823 0.122 0.000 1.049 214 V HN 0.507 nan 8.190 nan 0.000 0.486 215 V N -0.950 119.005 119.914 0.069 0.000 3.155 215 V HA 0.594 4.714 4.120 -0.000 0.000 0.272 215 V C -2.547 173.557 176.094 0.015 0.000 1.639 215 V CA -0.448 61.880 62.300 0.048 0.000 1.006 215 V CB 1.827 33.703 31.823 0.088 0.000 1.244 215 V HN 0.297 nan 8.190 nan 0.000 0.458 216 C N 5.081 124.373 119.300 -0.014 0.000 2.887 216 C HA 0.724 5.184 4.460 -0.000 0.000 0.379 216 C C -0.022 174.946 174.990 -0.038 0.000 1.064 216 C CA 0.324 59.331 59.018 -0.018 0.000 1.282 216 C CB 0.378 28.113 27.740 -0.010 0.000 1.749 216 C HN 1.319 nan 8.230 nan 0.000 0.489 217 T N 1.430 115.962 114.554 -0.037 0.000 2.934 217 T HA 0.615 4.964 4.350 -0.000 0.000 0.283 217 T C 0.951 175.632 174.700 -0.033 0.000 1.005 217 T CA 0.249 62.321 62.100 -0.047 0.000 1.041 217 T CB 1.769 70.608 68.868 -0.048 0.000 1.042 217 T HN 1.020 nan 8.240 nan 0.000 0.505 218 G N -1.235 107.545 108.800 -0.034 0.000 3.434 218 G HA2 0.469 4.429 3.960 -0.000 0.000 0.258 218 G HA3 0.469 4.429 3.960 -0.000 0.000 0.258 218 G C 1.079 175.967 174.900 -0.021 0.000 1.128 218 G CA -0.178 44.907 45.100 -0.025 0.000 0.792 218 G HN 1.769 nan 8.290 nan 0.000 0.539 219 G N 0.231 109.018 108.800 -0.021 0.000 2.176 219 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.252 219 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.252 219 G C 0.504 175.394 174.900 -0.017 0.000 1.024 219 G CA 0.206 45.295 45.100 -0.017 0.000 0.755 219 G HN 0.681 nan 8.290 nan 0.000 0.507 220 S N 0.748 116.435 115.700 -0.022 0.000 2.560 220 S HA 0.369 4.839 4.470 -0.000 0.000 0.284 220 S C -0.720 173.870 174.600 -0.016 0.000 1.327 220 S CA -0.127 58.061 58.200 -0.020 0.000 1.055 220 S CB 1.345 64.530 63.200 -0.026 0.000 0.868 220 S HN 0.244 nan 8.310 nan 0.000 0.506 221 P HA 0.068 nan 4.420 nan 0.000 0.245 221 P C -0.071 177.228 177.300 -0.002 0.000 1.212 221 P CA 0.241 63.337 63.100 -0.007 0.000 0.774 221 P CB -0.024 31.674 31.700 -0.003 0.000 0.999 222 S N -1.873 113.828 115.700 0.000 0.000 2.548 222 S HA 0.432 4.901 4.470 -0.000 0.000 0.286 222 S C 0.854 175.460 174.600 0.010 0.000 1.098 222 S CA -0.795 57.416 58.200 0.018 0.000 0.930 222 S CB 0.968 64.192 63.200 0.040 0.000 1.070 222 S HN -0.188 nan 8.310 nan 0.000 0.480 223 I N 1.711 122.306 120.570 0.042 0.000 2.163 223 I HA -0.171 3.999 4.170 -0.000 0.000 0.243 223 I C 2.735 178.844 176.117 -0.012 0.000 1.085 223 I CA 1.453 62.776 61.300 0.037 0.000 1.347 223 I CB -0.302 37.771 38.000 0.122 0.000 1.044 223 I HN 0.846 nan 8.210 nan 0.000 0.408 224 K N 1.170 121.566 120.400 -0.007 0.000 2.074 224 K HA -0.262 4.057 4.320 -0.000 0.000 0.209 224 K C 1.940 178.415 176.600 -0.208 0.000 1.048 224 K CA 1.902 58.009 56.287 -0.301 0.000 0.926 224 K CB -0.016 32.401 32.500 -0.138 0.000 0.713 224 K HN 0.329 nan 8.250 nan 0.000 0.444 225 E N -0.002 120.140 120.200 -0.097 0.000 2.072 225 E HA -0.119 4.231 4.350 -0.000 0.000 0.191 225 E C 1.844 178.389 176.600 -0.092 0.000 0.985 225 E CA 1.002 57.352 56.400 -0.083 0.000 0.801 225 E CB 0.050 29.721 29.700 -0.047 0.000 0.750 225 E HN 0.327 nan 8.360 nan 0.000 0.452 226 N N 0.658 119.308 118.700 -0.085 0.000 2.223 226 N HA -0.139 4.601 4.740 -0.000 0.000 0.185 226 N C 1.793 177.225 175.510 -0.130 0.000 1.016 226 N CA 0.913 53.905 53.050 -0.098 0.000 0.863 226 N CB -0.099 38.336 38.487 -0.086 0.000 0.983 226 N HN 0.227 nan 8.380 nan 0.000 0.429 227 I N 0.469 120.975 120.570 -0.108 0.000 2.252 227 I HA -0.155 4.015 4.170 -0.000 0.000 0.245 227 I C 2.445 178.519 176.117 -0.071 0.000 1.102 227 I CA 1.141 62.417 61.300 -0.041 0.000 1.385 227 I CB -0.657 37.321 38.000 -0.037 0.000 1.064 227 I HN 0.125 nan 8.210 nan 0.000 0.414 228 G N 0.108 108.839 108.800 -0.116 0.000 2.459 228 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.217 228 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.217 228 G C 1.770 176.614 174.900 -0.093 0.000 1.183 228 G CA 1.030 46.071 45.100 -0.097 0.000 0.776 228 G HN 0.330 nan 8.290 nan 0.000 0.552 229 S N -0.255 115.379 115.700 -0.110 0.000 2.359 229 S HA -0.139 4.331 4.470 -0.000 0.000 0.224 229 S C 2.541 177.037 174.600 -0.175 0.000 1.035 229 S CA 1.409 59.540 58.200 -0.114 0.000 1.018 229 S CB -0.311 62.827 63.200 -0.103 0.000 0.876 229 S HN 0.191 nan 8.310 nan 0.000 0.448 230 V N 0.098 119.827 119.914 -0.307 0.000 2.323 230 V HA -0.053 4.067 4.120 -0.000 0.000 0.244 230 V C 1.429 177.123 176.094 -0.668 0.000 1.041 230 V CA 1.573 63.512 62.300 -0.601 0.000 1.025 230 V CB -0.579 30.625 31.823 -1.032 0.000 0.656 230 V HN 0.457 nan 8.190 nan 0.000 0.451 231 F N 0.079 119.956 119.950 -0.123 0.000 2.678 231 F HA 0.612 5.139 4.527 -0.000 0.000 0.305 231 F C 1.258 177.014 175.800 -0.075 0.000 1.090 231 F CA 0.069 58.020 58.000 -0.081 0.000 1.272 231 F CB -0.287 38.690 39.000 -0.039 0.000 1.060 231 F HN 0.245 nan 8.300 nan 0.000 0.576 232 G N 0.679 109.498 108.800 0.032 0.000 2.787 232 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.685 232 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.685 232 G C 0.471 175.361 174.900 -0.016 0.000 1.437 232 G CA -0.526 44.577 45.100 0.005 0.000 0.872 232 G HN 0.099 nan 8.290 nan 0.000 0.566 233 Q N -0.019 119.763 119.800 -0.031 0.000 2.364 233 Q HA -0.084 4.256 4.340 -0.000 0.000 0.209 233 Q C 2.449 178.417 176.000 -0.053 0.000 0.977 233 Q CA 1.603 57.378 55.803 -0.048 0.000 0.885 233 Q CB -0.043 28.673 28.738 -0.036 0.000 0.941 233 Q HN 0.741 nan 8.270 nan 0.000 0.464 234 K N 0.757 121.133 120.400 -0.039 0.000 2.155 234 K HA -0.178 4.142 4.320 -0.000 0.000 0.203 234 K C 2.011 178.563 176.600 -0.080 0.000 1.052 234 K CA 0.895 57.156 56.287 -0.044 0.000 0.948 234 K CB 0.265 32.752 32.500 -0.022 0.000 0.728 234 K HN -0.022 nan 8.250 nan 0.000 0.448 235 Q N 1.087 120.822 119.800 -0.108 0.000 2.046 235 Q HA -0.067 4.273 4.340 -0.000 0.000 0.200 235 Q C 1.936 177.754 176.000 -0.303 0.000 0.975 235 Q CA 1.352 57.019 55.803 -0.228 0.000 0.836 235 Q CB -0.199 28.375 28.738 -0.273 0.000 0.896 235 Q HN 0.337 nan 8.270 nan 0.000 0.428 236 L N 0.325 121.399 121.223 -0.248 0.000 2.043 236 L HA -0.286 4.053 4.340 -0.000 0.000 0.212 236 L C 2.512 179.290 176.870 -0.152 0.000 1.075 236 L CA 1.796 56.490 54.840 -0.244 0.000 0.752 236 L CB -0.516 41.430 42.059 -0.188 0.000 0.891 236 L HN 0.451 nan 8.230 nan 0.000 0.432 237 Q N -0.700 119.039 119.800 -0.101 0.000 2.226 237 Q HA -0.164 4.175 4.340 -0.000 0.000 0.204 237 Q C 1.992 177.972 176.000 -0.034 0.000 0.975 237 Q CA 1.738 57.510 55.803 -0.051 0.000 0.866 237 Q CB -0.201 28.515 28.738 -0.036 0.000 0.915 237 Q HN 0.594 nan 8.270 nan 0.000 0.440 238 S N -0.403 115.261 115.700 -0.061 0.000 2.671 238 S HA 0.201 4.671 4.470 -0.000 0.000 0.220 238 S C 0.579 175.179 174.600 -0.001 0.000 0.951 238 S CA -0.251 57.933 58.200 -0.026 0.000 0.932 238 S CB -0.135 63.042 63.200 -0.039 0.000 0.777 238 S HN 0.099 nan 8.310 nan 0.000 0.508 239 L N 1.959 123.178 121.223 -0.008 0.000 2.334 239 L HA 0.705 5.045 4.340 -0.000 0.000 0.272 239 L C -0.168 176.810 176.870 0.180 0.000 1.020 239 L CA -1.320 53.571 54.840 0.085 0.000 0.812 239 L CB 1.724 43.798 42.059 0.025 0.000 1.264 239 L HN 0.289 nan 8.230 nan 0.000 0.439 240 I N -0.595 120.113 120.570 0.231 0.000 2.608 240 I HA 0.625 4.795 4.170 -0.000 0.000 0.295 240 I C -2.625 173.568 176.117 0.127 0.000 1.049 240 I CA -2.381 59.022 61.300 0.171 0.000 1.063 240 I CB 2.233 40.287 38.000 0.090 0.000 1.248 240 I HN 0.281 nan 8.210 nan 0.000 0.424 241 P HA 0.120 nan 4.420 nan 0.000 0.272 241 P C -0.973 176.193 177.300 -0.223 0.000 1.240 241 P CA 0.048 62.942 63.100 -0.344 0.000 0.791 241 P CB 0.612 32.150 31.700 -0.271 0.000 0.978 242 F N 1.205 120.933 119.950 -0.370 0.000 2.412 242 F HA 0.244 4.770 4.527 -0.000 0.000 0.348 242 F C -0.121 175.577 175.800 -0.171 0.000 1.102 242 F CA -0.026 57.841 58.000 -0.221 0.000 1.196 242 F CB 0.642 39.531 39.000 -0.185 0.000 1.144 242 F HN -0.055 nan 8.300 nan 0.000 0.541 243 V N 6.103 126.095 119.914 0.130 0.000 2.443 243 V HA 0.267 4.387 4.120 -0.000 0.000 0.293 243 V C -0.301 175.902 176.094 0.182 0.000 1.021 243 V CA -0.921 61.438 62.300 0.097 0.000 0.848 243 V CB 1.284 33.085 31.823 -0.037 0.000 0.998 243 V HN 0.721 nan 8.190 nan 0.000 0.424 244 Q N 3.949 123.855 119.800 0.177 0.000 2.293 244 Q HA 0.702 5.042 4.340 -0.000 0.000 0.251 244 Q C -1.401 174.625 176.000 0.043 0.000 0.930 244 Q CA -0.272 55.606 55.803 0.124 0.000 0.893 244 Q CB 1.304 30.061 28.738 0.032 0.000 1.215 244 Q HN 0.690 nan 8.270 nan 0.000 0.425 245 L N 4.253 125.490 121.223 0.024 0.000 2.371 245 L HA 0.571 4.911 4.340 -0.000 0.000 0.262 245 L C -2.312 174.548 176.870 -0.017 0.000 1.006 245 L CA -2.524 52.314 54.840 -0.003 0.000 0.818 245 L CB 2.240 44.293 42.059 -0.009 0.000 1.354 245 L HN 0.632 nan 8.230 nan 0.000 0.415 246 P HA 0.136 nan 4.420 nan 0.000 0.271 246 P C -2.513 174.773 177.300 -0.023 0.000 1.218 246 P CA -1.006 62.076 63.100 -0.029 0.000 0.780 246 P CB -0.187 31.498 31.700 -0.025 0.000 0.901 247 P HA -0.027 nan 4.420 nan 0.000 0.265 247 P C -0.093 177.201 177.300 -0.010 0.000 1.193 247 P CA 0.232 63.317 63.100 -0.026 0.000 0.765 247 P CB 0.393 32.070 31.700 -0.038 0.000 0.823 248 S N 1.839 117.540 115.700 0.002 0.000 2.624 248 S HA 0.112 4.582 4.470 -0.000 0.000 0.263 248 S C 0.901 175.512 174.600 0.020 0.000 1.287 248 S CA -0.341 57.866 58.200 0.012 0.000 0.990 248 S CB 0.468 63.680 63.200 0.020 0.000 0.950 248 S HN 0.348 nan 8.310 nan 0.000 0.561 249 D N 1.293 121.705 120.400 0.019 0.000 2.117 249 D HA -0.080 4.560 4.640 -0.000 0.000 0.198 249 D C 2.365 178.684 176.300 0.033 0.000 0.982 249 D CA 1.883 55.897 54.000 0.022 0.000 0.828 249 D CB -0.769 40.040 40.800 0.016 0.000 0.967 249 D HN 0.715 nan 8.370 nan 0.000 0.464 250 S N 0.350 116.071 115.700 0.034 0.000 2.368 250 S HA -0.115 4.355 4.470 -0.000 0.000 0.225 250 S C 2.295 176.933 174.600 0.063 0.000 1.030 250 S CA 0.878 59.102 58.200 0.041 0.000 0.999 250 S CB -0.742 62.479 63.200 0.036 0.000 0.844 250 S HN 0.087 nan 8.310 nan 0.000 0.459 251 V N 1.176 121.136 119.914 0.076 0.000 2.453 251 V HA -0.144 3.976 4.120 -0.000 0.000 0.247 251 V C 2.768 178.962 176.094 0.166 0.000 1.048 251 V CA 1.363 63.741 62.300 0.129 0.000 1.049 251 V CB -1.050 30.833 31.823 0.100 0.000 0.672 251 V HN 0.643 nan 8.190 nan 0.000 0.457 252 C N -0.272 119.086 119.300 0.097 0.000 2.446 252 C HA -0.152 4.308 4.460 -0.000 0.000 0.277 252 C C 2.743 177.799 174.990 0.111 0.000 1.275 252 C CA 1.293 60.369 59.018 0.097 0.000 1.727 252 C CB -0.762 27.008 27.740 0.049 0.000 2.010 252 C HN 0.689 nan 8.230 nan 0.000 0.486 253 E N 1.240 121.486 120.200 0.077 0.000 2.049 253 E HA -0.288 4.062 4.350 -0.000 0.000 0.198 253 E C 2.118 178.749 176.600 0.053 0.000 1.007 253 E CA 1.903 58.336 56.400 0.054 0.000 0.809 253 E CB -0.230 29.491 29.700 0.036 0.000 0.749 253 E HN 0.848 nan 8.360 nan 0.000 0.450 254 E N -1.208 119.030 120.200 0.062 0.000 2.418 254 E HA -0.185 4.164 4.350 -0.000 0.000 0.197 254 E C 0.954 177.509 176.600 -0.075 0.000 1.026 254 E CA 0.804 57.199 56.400 -0.008 0.000 0.862 254 E CB -0.152 29.535 29.700 -0.021 0.000 0.799 254 E HN 0.427 nan 8.360 nan 0.000 0.518 255 Y N 0.562 120.865 120.300 0.004 0.000 2.507 255 Y HA 0.305 4.854 4.550 -0.000 0.000 0.254 255 Y C 1.081 176.984 175.900 0.006 0.000 1.171 255 Y CA 0.220 58.322 58.100 0.003 0.000 1.238 255 Y CB 1.280 39.740 38.460 0.001 0.000 1.148 255 Y HN 0.188 nan 8.280 nan 0.000 0.525 256 G N 1.790 110.655 108.800 0.108 0.000 2.359 256 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.298 256 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.298 256 G C -0.577 174.372 174.900 0.082 0.000 1.030 256 G CA 0.194 45.337 45.100 0.071 0.000 1.149 256 G HN 0.296 nan 8.290 nan 0.000 0.512 257 L N 0.001 121.274 121.223 0.084 0.000 2.370 257 L HA 0.845 5.184 4.340 -0.000 0.000 0.266 257 L C 0.509 177.405 176.870 0.043 0.000 1.002 257 L CA -0.538 54.341 54.840 0.065 0.000 0.818 257 L CB 2.387 44.487 42.059 0.067 0.000 1.325 257 L HN 0.515 nan 8.230 nan 0.000 0.418 258 S N -0.887 114.832 115.700 0.031 0.000 2.667 258 S HA 0.229 4.699 4.470 -0.000 0.000 0.292 258 S C 0.726 175.331 174.600 0.007 0.000 1.126 258 S CA -0.539 57.672 58.200 0.019 0.000 0.881 258 S CB 1.402 64.613 63.200 0.018 0.000 1.132 258 S HN 0.827 nan 8.310 nan 0.000 0.492 259 C N 1.449 120.748 119.300 -0.002 0.000 2.336 259 C HA -0.167 4.293 4.460 -0.000 0.000 0.272 259 C C 3.046 178.018 174.990 -0.030 0.000 1.160 259 C CA 2.510 61.517 59.018 -0.018 0.000 1.783 259 C CB -1.650 26.080 27.740 -0.018 0.000 2.050 259 C HN 1.049 nan 8.230 nan 0.000 0.443 260 S N -0.120 115.571 115.700 -0.015 0.000 2.402 260 S HA -0.195 4.274 4.470 -0.000 0.000 0.233 260 S C 1.504 176.105 174.600 0.002 0.000 1.030 260 S CA 2.149 60.344 58.200 -0.009 0.000 1.003 260 S CB -0.625 62.585 63.200 0.017 0.000 0.813 260 S HN 0.733 nan 8.310 nan 0.000 0.477 261 D N 0.730 121.137 120.400 0.012 0.000 2.183 261 D HA 0.069 4.709 4.640 -0.000 0.000 0.203 261 D C 1.536 177.848 176.300 0.019 0.000 0.969 261 D CA 1.167 55.184 54.000 0.029 0.000 0.842 261 D CB -0.161 40.661 40.800 0.037 0.000 0.957 261 D HN 0.511 nan 8.370 nan 0.000 0.484 262 A N 0.097 122.910 122.820 -0.010 0.000 2.500 262 A HA 0.188 4.508 4.320 -0.000 0.000 0.267 262 A C 1.623 179.164 177.584 -0.072 0.000 1.290 262 A CA -0.231 51.793 52.037 -0.020 0.000 0.928 262 A CB 0.043 19.032 19.000 -0.017 0.000 1.066 262 A HN 0.085 nan 8.150 nan 0.000 0.516 263 L N -1.023 120.114 121.223 -0.143 0.000 2.202 263 L HA 0.144 4.484 4.340 -0.000 0.000 0.205 263 L C 1.229 177.856 176.870 -0.405 0.000 1.083 263 L CA 1.467 56.126 54.840 -0.301 0.000 0.790 263 L CB -0.151 41.645 42.059 -0.439 0.000 0.942 263 L HN 0.492 nan 8.230 nan 0.000 0.452 264 H N -0.354 118.705 119.070 -0.018 0.000 2.524 264 H HA 0.204 4.760 4.556 -0.000 0.000 0.299 264 H C -0.037 175.252 175.328 -0.066 0.000 1.074 264 H CA -0.442 55.585 56.048 -0.034 0.000 1.115 264 H CB -0.757 28.986 29.762 -0.032 0.000 1.522 264 H HN 0.442 nan 8.280 nan 0.000 0.543 265 N N 1.633 120.328 118.700 -0.008 0.000 2.386 265 N HA -0.068 4.672 4.740 -0.000 0.000 0.273 265 N C 0.274 175.715 175.510 -0.115 0.000 1.331 265 N CA -0.062 52.964 53.050 -0.039 0.000 0.891 265 N CB 0.440 38.916 38.487 -0.019 0.000 1.139 265 N HN 0.304 nan 8.380 nan 0.000 0.487 266 L N 3.819 124.891 121.223 -0.251 0.000 2.910 266 L HA 0.278 4.618 4.340 -0.000 0.000 0.252 266 L C -0.568 176.172 176.870 -0.215 0.000 1.195 266 L CA -0.460 54.273 54.840 -0.179 0.000 1.003 266 L CB -0.030 41.930 42.059 -0.165 0.000 1.328 266 L HN 0.486 nan 8.230 nan 0.000 0.540 267 F N -0.003 119.881 119.950 -0.110 0.000 2.421 267 F HA 0.274 4.800 4.527 -0.000 0.000 0.358 267 F C -0.060 175.580 175.800 -0.267 0.000 1.115 267 F CA -0.311 57.628 58.000 -0.103 0.000 1.160 267 F CB 0.174 39.109 39.000 -0.108 0.000 1.123 267 F HN -0.103 nan 8.300 nan 0.000 0.508 268 Y N 4.407 124.775 120.300 0.114 0.000 2.356 268 Y HA 0.526 5.076 4.550 -0.000 0.000 0.334 268 Y C 0.035 175.911 175.900 -0.041 0.000 0.958 268 Y CA -0.762 57.349 58.100 0.020 0.000 1.196 268 Y CB 0.884 39.342 38.460 -0.004 0.000 1.137 268 Y HN 0.346 nan 8.280 nan 0.000 0.485 269 I N 3.564 124.092 120.570 -0.069 0.000 2.412 269 I HA 0.619 4.789 4.170 -0.000 0.000 0.296 269 I C -0.296 175.577 176.117 -0.408 0.000 0.987 269 I CA -0.539 60.579 61.300 -0.304 0.000 1.180 269 I CB 1.710 39.376 38.000 -0.557 0.000 1.340 269 I HN 0.580 nan 8.210 nan 0.000 0.455 270 S N 3.320 118.788 115.700 -0.387 0.000 2.550 270 S HA 0.980 5.450 4.470 -0.000 0.000 0.270 270 S C -0.551 173.962 174.600 -0.145 0.000 1.145 270 S CA -0.230 57.823 58.200 -0.246 0.000 0.852 270 S CB 2.322 65.465 63.200 -0.094 0.000 1.119 270 S HN 1.232 nan 8.310 nan 0.000 0.465 271 G N 0.625 109.385 108.800 -0.066 0.000 2.356 271 G HA2 0.418 4.378 3.960 -0.000 0.000 0.266 271 G HA3 0.418 4.378 3.960 -0.000 0.000 0.266 271 G C -2.180 172.658 174.900 -0.103 0.000 1.312 271 G CA -0.678 44.479 45.100 0.096 0.000 0.922 271 G HN 0.875 nan 8.290 nan 0.000 0.480 272 F N -0.450 119.680 119.950 0.299 0.000 2.613 272 F HA 0.884 5.411 4.527 -0.001 0.000 0.314 272 F C 0.051 176.019 175.800 0.279 0.000 1.075 272 F CA -0.813 57.343 58.000 0.260 0.000 0.945 272 F CB 2.483 41.621 39.000 0.230 0.000 1.310 272 F HN 0.542 nan 8.300 nan 0.000 0.467 273 I N 0.211 121.014 120.570 0.389 0.000 2.841 273 I HA 0.376 4.546 4.170 -0.000 0.000 0.298 273 I C -0.830 175.461 176.117 0.289 0.000 1.304 273 I CA -0.380 61.105 61.300 0.307 0.000 1.019 273 I CB 2.114 40.219 38.000 0.176 0.000 1.282 273 I HN 0.541 nan 8.210 nan 0.000 0.432 274 S N 4.522 120.360 115.700 0.230 0.000 2.568 274 S HA 0.129 4.598 4.470 -0.000 0.000 0.282 274 S C -0.186 174.587 174.600 0.288 0.000 1.338 274 S CA -0.410 57.893 58.200 0.173 0.000 1.045 274 S CB 0.605 63.844 63.200 0.065 0.000 0.873 274 S HN 0.517 nan 8.310 nan 0.000 0.516 275 Q N 0.172 120.108 119.800 0.227 0.000 2.535 275 Q HA 0.062 4.401 4.340 -0.000 0.000 0.228 275 Q C 1.327 177.388 176.000 0.103 0.000 1.062 275 Q CA -0.149 55.785 55.803 0.219 0.000 0.967 275 Q CB 0.148 28.965 28.738 0.131 0.000 1.273 275 Q HN 0.970 nan 8.270 nan 0.000 0.554 276 C N -2.165 117.016 119.300 -0.198 0.000 2.626 276 C HA 0.145 4.605 4.460 -0.000 0.000 0.266 276 C C 0.804 175.689 174.990 -0.176 0.000 1.317 276 C CA -0.764 57.930 59.018 -0.539 0.000 1.716 276 C CB -1.147 26.084 27.740 -0.848 0.000 1.819 276 C HN 0.548 nan 8.230 nan 0.000 0.578 277 T N 1.982 116.523 114.554 -0.022 0.000 2.934 277 T HA 0.014 4.364 4.350 -0.000 0.000 0.306 277 T C 0.053 174.797 174.700 0.074 0.000 1.042 277 T CA 0.720 62.846 62.100 0.044 0.000 1.145 277 T CB -0.111 68.790 68.868 0.055 0.000 0.982 277 T HN 0.724 nan 8.240 nan 0.000 0.544 278 H N 1.499 120.573 119.070 0.007 0.000 3.125 278 H HA 0.299 4.854 4.556 -0.000 0.000 0.310 278 H C 1.438 176.767 175.328 0.001 0.000 0.980 278 H CA 1.523 57.575 56.048 0.007 0.000 1.422 278 H CB -0.408 29.344 29.762 -0.018 0.000 1.432 278 H HN 0.828 nan 8.280 nan 0.000 0.577 279 G N 2.949 111.477 108.800 -0.453 0.000 2.454 279 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.225 279 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.225 279 G C 1.442 176.277 174.900 -0.108 0.000 1.138 279 G CA 0.335 45.218 45.100 -0.362 0.000 0.667 279 G HN 0.639 nan 8.290 nan 0.000 0.512 280 V N 2.497 122.387 119.914 -0.039 0.000 2.439 280 V HA 0.043 4.163 4.120 -0.000 0.000 0.253 280 V C 2.657 178.782 176.094 0.052 0.000 1.074 280 V CA 2.501 64.810 62.300 0.015 0.000 1.076 280 V CB -1.328 30.521 31.823 0.044 0.000 0.664 280 V HN 1.059 nan 8.190 nan 0.000 0.461 281 G N -0.110 108.757 108.800 0.111 0.000 2.379 281 G HA2 0.155 4.115 3.960 -0.000 0.000 0.287 281 G HA3 0.155 4.115 3.960 -0.000 0.000 0.287 281 G C 0.298 175.254 174.900 0.093 0.000 1.422 281 G CA -0.221 44.962 45.100 0.139 0.000 1.081 281 G HN 0.280 nan 8.290 nan 0.000 0.569 282 R N -1.801 118.770 120.500 0.117 0.000 2.943 282 R HA 0.448 4.788 4.340 -0.000 0.000 0.246 282 R C 1.361 177.767 176.300 0.177 0.000 1.201 282 R CA -0.006 56.158 56.100 0.108 0.000 1.056 282 R CB 0.951 31.297 30.300 0.077 0.000 1.243 282 R HN 0.579 nan 8.270 nan 0.000 0.498 283 S N -1.655 114.128 115.700 0.138 0.000 2.502 283 S HA 0.068 4.538 4.470 -0.000 0.000 0.215 283 S C 0.683 175.371 174.600 0.147 0.000 1.009 283 S CA 0.209 58.510 58.200 0.168 0.000 0.908 283 S CB 0.110 63.363 63.200 0.088 0.000 0.801 283 S HN 0.632 nan 8.310 nan 0.000 0.505 284 S N 0.629 116.326 115.700 -0.006 0.000 2.776 284 S HA 0.476 4.946 4.470 -0.000 0.000 0.292 284 S C 0.257 174.660 174.600 -0.329 0.000 1.187 284 S CA 0.019 58.005 58.200 -0.357 0.000 0.834 284 S CB 0.663 63.718 63.200 -0.243 0.000 1.199 284 S HN 0.366 nan 8.310 nan 0.000 0.514 285 T N -1.484 112.802 114.554 -0.446 0.000 3.324 285 T HA 0.126 4.476 4.350 -0.000 0.000 0.250 285 T C 0.838 175.394 174.700 -0.240 0.000 1.059 285 T CA 0.646 62.587 62.100 -0.265 0.000 0.951 285 T CB -1.072 67.659 68.868 -0.228 0.000 1.030 285 T HN 0.696 nan 8.240 nan 0.000 0.576 286 D N 1.849 122.130 120.400 -0.199 0.000 2.311 286 D HA -0.181 4.459 4.640 -0.000 0.000 0.212 286 D C 1.015 177.176 176.300 -0.232 0.000 0.972 286 D CA 0.758 54.659 54.000 -0.164 0.000 0.887 286 D CB -0.242 40.514 40.800 -0.073 0.000 0.915 286 D HN 0.463 nan 8.370 nan 0.000 0.497 287 R N 0.262 120.567 120.500 -0.326 0.000 2.748 287 R HA 0.309 4.648 4.340 -0.000 0.000 0.283 287 R C -0.538 175.267 176.300 -0.825 0.000 1.507 287 R CA -0.273 55.524 56.100 -0.504 0.000 1.666 287 R CB 0.751 30.839 30.300 -0.353 0.000 1.237 287 R HN 0.193 nan 8.270 nan 0.000 0.633 288 Q N 1.589 120.751 119.800 -1.062 0.000 2.303 288 Q HA 0.377 4.717 4.340 -0.000 0.000 0.267 288 Q C -1.273 174.011 176.000 -1.192 0.000 1.011 288 Q CA -0.492 54.762 55.803 -0.915 0.000 0.740 288 Q CB 1.969 30.436 28.738 -0.452 0.000 1.250 288 Q HN 0.178 nan 8.270 nan 0.000 0.458 289 F N 2.293 121.830 119.950 -0.688 0.000 2.477 289 F HA 0.556 5.082 4.527 -0.000 0.000 0.335 289 F C -0.533 174.677 175.800 -0.983 0.000 1.130 289 F CA -0.749 56.852 58.000 -0.664 0.000 0.948 289 F CB 0.969 39.748 39.000 -0.368 0.000 1.154 289 F HN 0.354 nan 8.300 nan 0.000 0.439 290 F N 3.038 122.651 119.950 -0.561 0.000 2.508 290 F HA 0.743 5.270 4.527 -0.000 0.000 0.325 290 F C -0.826 174.533 175.800 -0.735 0.000 1.090 290 F CA -1.164 56.572 58.000 -0.441 0.000 0.945 290 F CB 1.633 40.506 39.000 -0.212 0.000 1.156 290 F HN 0.156 nan 8.300 nan 0.000 0.463 291 F N 2.442 122.504 119.950 0.186 0.000 2.588 291 F HA 0.629 5.156 4.527 -0.000 0.000 0.310 291 F C -0.672 175.180 175.800 0.086 0.000 1.082 291 F CA -1.206 56.851 58.000 0.095 0.000 0.929 291 F CB 1.628 40.652 39.000 0.040 0.000 1.254 291 F HN 0.165 nan 8.300 nan 0.000 0.455 292 I N 3.044 123.760 120.570 0.244 0.000 2.382 292 I HA 0.285 4.455 4.170 -0.000 0.000 0.285 292 I C -0.547 175.660 176.117 0.151 0.000 1.007 292 I CA -0.630 60.772 61.300 0.171 0.000 1.142 292 I CB 1.072 39.145 38.000 0.121 0.000 1.289 292 I HN 0.652 nan 8.210 nan 0.000 0.453 293 N N 6.671 125.450 118.700 0.131 0.000 2.758 293 N HA -0.198 4.541 4.740 -0.000 0.000 0.248 293 N C 0.233 175.789 175.510 0.078 0.000 1.076 293 N CA 0.494 53.597 53.050 0.088 0.000 0.696 293 N CB -0.643 37.889 38.487 0.075 0.000 0.979 293 N HN 0.713 nan 8.380 nan 0.000 0.550 294 R N -2.797 117.751 120.500 0.080 0.000 3.936 294 R HA -0.202 4.138 4.340 -0.000 0.000 0.366 294 R C -0.385 175.977 176.300 0.104 0.000 1.158 294 R CA 0.985 57.094 56.100 0.016 0.000 0.969 294 R CB -1.515 28.774 30.300 -0.018 0.000 1.504 294 R HN 0.475 nan 8.270 nan 0.000 0.538 295 R N 0.826 121.439 120.500 0.188 0.000 2.393 295 R HA 0.326 4.665 4.340 -0.000 0.000 0.315 295 R C -2.460 173.952 176.300 0.187 0.000 0.952 295 R CA -1.998 54.200 56.100 0.163 0.000 0.842 295 R CB 1.718 32.092 30.300 0.124 0.000 1.163 295 R HN -0.190 nan 8.270 nan 0.000 0.450 296 P HA -0.087 nan 4.420 nan 0.000 0.262 296 P C -0.423 176.843 177.300 -0.058 0.000 1.182 296 P CA -0.080 62.968 63.100 -0.087 0.000 0.761 296 P CB 0.420 31.974 31.700 -0.243 0.000 0.795 297 C N 0.706 119.951 119.300 -0.093 0.000 3.314 297 C HA 0.602 5.062 4.460 -0.000 0.000 0.344 297 C C -0.979 173.981 174.990 -0.050 0.000 1.461 297 C CA -0.624 58.371 59.018 -0.039 0.000 1.249 297 C CB 1.625 29.364 27.740 -0.001 0.000 1.632 297 C HN 0.404 nan 8.230 nan 0.000 0.452 298 D N 1.866 122.230 120.400 -0.059 0.000 2.634 298 D HA 0.415 5.055 4.640 -0.000 0.000 0.318 298 D C -2.254 173.946 176.300 -0.166 0.000 1.226 298 D CA -0.811 53.128 54.000 -0.102 0.000 0.899 298 D CB 0.364 41.119 40.800 -0.075 0.000 1.025 298 D HN 0.583 nan 8.370 nan 0.000 0.501 299 P HA 0.149 nan 4.420 nan 0.000 0.266 299 P C 0.550 177.670 177.300 -0.300 0.000 1.215 299 P CA -0.145 62.811 63.100 -0.240 0.000 0.763 299 P CB 1.465 33.007 31.700 -0.264 0.000 0.806 300 A N 5.299 128.008 122.820 -0.186 0.000 1.840 300 A HA -0.154 4.166 4.320 -0.000 0.000 0.214 300 A C 1.984 179.474 177.584 -0.155 0.000 1.198 300 A CA 1.241 53.184 52.037 -0.157 0.000 0.608 300 A CB -0.694 18.251 19.000 -0.091 0.000 0.839 300 A HN 0.494 nan 8.150 nan 0.000 0.443 301 K N -0.222 120.107 120.400 -0.117 0.000 2.057 301 K HA -0.086 4.233 4.320 -0.000 0.000 0.207 301 K C 1.906 178.438 176.600 -0.113 0.000 1.049 301 K CA 1.462 57.700 56.287 -0.081 0.000 0.931 301 K CB -0.533 31.942 32.500 -0.042 0.000 0.714 301 K HN 0.293 nan 8.250 nan 0.000 0.440 302 V N 1.423 121.224 119.914 -0.189 0.000 2.332 302 V HA -0.334 3.786 4.120 -0.000 0.000 0.248 302 V C 2.571 178.490 176.094 -0.291 0.000 1.055 302 V CA 1.667 63.832 62.300 -0.224 0.000 1.038 302 V CB -0.542 31.103 31.823 -0.296 0.000 0.651 302 V HN 0.517 nan 8.190 nan 0.000 0.450 303 C N 0.522 119.533 119.300 -0.482 0.000 2.432 303 C HA -0.154 4.306 4.460 -0.000 0.000 0.277 303 C C 3.056 177.985 174.990 -0.101 0.000 1.249 303 C CA 1.299 60.055 59.018 -0.436 0.000 1.725 303 C CB -0.997 26.468 27.740 -0.459 0.000 2.028 303 C HN 0.557 nan 8.230 nan 0.000 0.477 304 R N 0.138 120.592 120.500 -0.076 0.000 2.070 304 R HA -0.134 4.206 4.340 -0.000 0.000 0.233 304 R C 2.101 178.421 176.300 0.033 0.000 1.137 304 R CA 1.709 57.810 56.100 0.002 0.000 0.945 304 R CB -0.949 29.354 30.300 0.005 0.000 0.845 304 R HN 0.478 nan 8.270 nan 0.000 0.430 305 L N 1.200 122.442 121.223 0.031 0.000 2.021 305 L HA -0.207 4.132 4.340 -0.000 0.000 0.215 305 L C 2.133 179.063 176.870 0.100 0.000 1.074 305 L CA 1.709 56.594 54.840 0.075 0.000 0.760 305 L CB -0.441 41.659 42.059 0.069 0.000 0.889 305 L HN -0.020 nan 8.230 nan 0.000 0.433 306 V N 0.168 120.146 119.914 0.107 0.000 2.343 306 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 306 V C 2.445 178.628 176.094 0.149 0.000 1.051 306 V CA 1.990 64.393 62.300 0.172 0.000 1.036 306 V CB -0.928 31.058 31.823 0.272 0.000 0.654 306 V HN 0.540 nan 8.190 nan 0.000 0.451 307 N N 0.091 118.838 118.700 0.078 0.000 2.106 307 N HA -0.149 4.591 4.740 -0.000 0.000 0.188 307 N C 1.866 177.286 175.510 -0.149 0.000 1.029 307 N CA 1.514 54.527 53.050 -0.061 0.000 0.848 307 N CB -0.181 38.277 38.487 -0.048 0.000 1.007 307 N HN 0.612 nan 8.380 nan 0.000 0.423 308 E N 0.645 120.845 120.200 0.000 0.000 2.038 308 E HA -0.118 4.232 4.350 -0.000 0.000 0.195 308 E C 2.014 178.695 176.600 0.135 0.000 1.000 308 E CA 0.999 57.448 56.400 0.082 0.000 0.803 308 E CB -0.086 29.677 29.700 0.106 0.000 0.750 308 E HN 0.058 nan 8.360 nan 0.000 0.448 309 V N 0.721 120.739 119.914 0.174 0.000 2.568 309 V HA -0.261 3.859 4.120 -0.000 0.000 0.253 309 V C 1.939 178.232 176.094 0.333 0.000 1.072 309 V CA 1.685 64.142 62.300 0.260 0.000 1.084 309 V CB -0.564 31.406 31.823 0.246 0.000 0.676 309 V HN 0.302 nan 8.190 nan 0.000 0.469 310 Y N 0.715 121.080 120.300 0.109 0.000 2.206 310 Y HA -0.154 4.396 4.550 -0.000 0.000 0.292 310 Y C 2.526 178.439 175.900 0.022 0.000 1.123 310 Y CA 1.804 59.898 58.100 -0.010 0.000 1.142 310 Y CB -0.458 37.935 38.460 -0.111 0.000 1.006 310 Y HN 0.367 nan 8.280 nan 0.000 0.518 311 H N -0.908 118.187 119.070 0.041 0.000 2.518 311 H HA -0.161 4.395 4.556 -0.000 0.000 0.292 311 H C 1.943 177.192 175.328 -0.133 0.000 1.068 311 H CA 1.076 57.061 56.048 -0.105 0.000 1.275 311 H CB -0.076 29.637 29.762 -0.082 0.000 1.375 311 H HN 0.400 nan 8.280 nan 0.000 0.563 312 M N -0.511 119.144 119.600 0.091 0.000 2.374 312 M HA -0.149 4.330 4.480 -0.000 0.000 0.264 312 M C 0.759 176.889 176.300 -0.283 0.000 1.067 312 M CA 1.458 56.723 55.300 -0.058 0.000 1.103 312 M CB 0.210 32.811 32.600 0.001 0.000 1.402 312 M HN 0.348 nan 8.290 nan 0.000 0.444 313 Y N -1.760 118.375 120.300 -0.274 0.000 2.445 313 Y HA 0.285 4.835 4.550 -0.000 0.000 0.247 313 Y C 0.847 176.521 175.900 -0.376 0.000 1.129 313 Y CA -0.410 57.496 58.100 -0.324 0.000 1.251 313 Y CB 0.408 38.606 38.460 -0.435 0.000 1.176 313 Y HN 0.155 nan 8.280 nan 0.000 0.522 314 N N 0.305 118.830 118.700 -0.292 0.000 2.635 314 N HA 0.095 4.835 4.740 -0.000 0.000 0.252 314 N C 0.358 175.711 175.510 -0.263 0.000 1.589 314 N CA 0.020 52.925 53.050 -0.241 0.000 0.828 314 N CB 0.230 38.476 38.487 -0.403 0.000 1.403 314 N HN 0.158 nan 8.380 nan 0.000 0.518 315 R N -0.387 119.818 120.500 -0.492 0.000 2.198 315 R HA -0.210 4.130 4.340 -0.000 0.000 0.258 315 R C 0.343 176.305 176.300 -0.563 0.000 1.173 315 R CA 2.047 57.811 56.100 -0.560 0.000 0.991 315 R CB -0.452 29.508 30.300 -0.568 0.000 0.879 315 R HN 0.507 nan 8.270 nan 0.000 0.460 316 H N -0.792 118.226 119.070 -0.086 0.000 2.524 316 H HA 0.332 4.888 4.556 -0.000 0.000 0.280 316 H C -0.102 175.229 175.328 0.006 0.000 1.018 316 H CA -0.146 55.874 56.048 -0.048 0.000 1.165 316 H CB 0.060 29.834 29.762 0.019 0.000 1.411 316 H HN 0.189 nan 8.280 nan 0.000 0.569 317 Q N -0.286 119.593 119.800 0.132 0.000 2.522 317 Q HA 0.348 4.688 4.340 -0.000 0.000 0.285 317 Q C -1.520 174.574 176.000 0.157 0.000 0.982 317 Q CA -1.008 54.922 55.803 0.211 0.000 0.805 317 Q CB 2.041 30.953 28.738 0.291 0.000 1.457 317 Q HN 0.217 nan 8.270 nan 0.000 0.394 318 Y N 0.782 121.218 120.300 0.227 0.000 2.419 318 Y HA 0.523 5.073 4.550 -0.000 0.000 0.328 318 Y C -2.120 173.638 175.900 -0.236 0.000 1.162 318 Y CA -2.132 55.989 58.100 0.035 0.000 1.174 318 Y CB 0.837 39.307 38.460 0.017 0.000 1.228 318 Y HN 0.354 nan 8.280 nan 0.000 0.473 319 P HA 0.178 nan 4.420 nan 0.000 0.283 319 P C -1.124 176.057 177.300 -0.199 0.000 1.271 319 P CA -0.473 62.250 63.100 -0.629 0.000 0.841 319 P CB 1.353 32.329 31.700 -1.207 0.000 1.122 320 F N 1.919 121.734 119.950 -0.224 0.000 2.427 320 F HA 0.398 4.924 4.527 -0.000 0.000 0.352 320 F C -0.976 174.762 175.800 -0.103 0.000 1.100 320 F CA 0.003 57.911 58.000 -0.152 0.000 1.191 320 F CB 0.538 39.462 39.000 -0.126 0.000 1.128 320 F HN -0.011 nan 8.300 nan 0.000 0.533 321 V N 6.735 126.309 119.914 -0.567 0.000 2.623 321 V HA 0.489 4.608 4.120 -0.000 0.000 0.304 321 V C -1.054 174.828 176.094 -0.354 0.000 1.054 321 V CA -0.864 61.227 62.300 -0.348 0.000 0.882 321 V CB 1.638 33.207 31.823 -0.422 0.000 1.002 321 V HN 0.620 nan 8.190 nan 0.000 0.424 322 V N 6.214 126.144 119.914 0.027 0.000 2.447 322 V HA 0.563 4.683 4.120 -0.000 0.000 0.292 322 V C -1.014 175.232 176.094 0.254 0.000 1.021 322 V CA -0.344 62.096 62.300 0.233 0.000 0.850 322 V CB 1.671 33.767 31.823 0.454 0.000 1.005 322 V HN 0.628 nan 8.190 nan 0.000 0.426 323 L N 4.822 126.164 121.223 0.199 0.000 2.441 323 L HA 0.577 4.917 4.340 -0.000 0.000 0.270 323 L C -0.533 176.547 176.870 0.351 0.000 0.973 323 L CA -0.103 54.858 54.840 0.201 0.000 0.842 323 L CB 1.981 44.146 42.059 0.177 0.000 1.239 323 L HN 0.688 nan 8.230 nan 0.000 0.406 324 N N 3.951 122.780 118.700 0.215 0.000 2.399 324 N HA 0.657 5.397 4.740 -0.000 0.000 0.295 324 N C -1.305 174.264 175.510 0.097 0.000 1.048 324 N CA -0.332 52.851 53.050 0.223 0.000 0.886 324 N CB 1.382 39.903 38.487 0.058 0.000 1.185 324 N HN 0.473 nan 8.380 nan 0.000 0.487 325 I N 1.726 122.379 120.570 0.140 0.000 2.390 325 I HA 0.222 4.391 4.170 -0.000 0.000 0.283 325 I C -0.118 176.093 176.117 0.156 0.000 1.016 325 I CA -0.653 60.718 61.300 0.118 0.000 1.151 325 I CB 1.525 39.592 38.000 0.111 0.000 1.293 325 I HN 0.398 nan 8.210 nan 0.000 0.458 326 S N 5.426 121.222 115.700 0.160 0.000 2.489 326 S HA 0.711 5.180 4.470 -0.000 0.000 0.277 326 S C -0.217 174.491 174.600 0.181 0.000 1.230 326 S CA -0.378 57.909 58.200 0.146 0.000 1.053 326 S CB 0.501 63.771 63.200 0.116 0.000 0.955 326 S HN 0.379 nan 8.310 nan 0.000 0.488 327 V N 2.726 122.708 119.914 0.114 0.000 3.202 327 V HA 0.460 4.580 4.120 -0.000 0.000 0.306 327 V C -0.696 175.403 176.094 0.009 0.000 1.283 327 V CA -1.238 61.091 62.300 0.049 0.000 1.065 327 V CB 1.902 33.778 31.823 0.088 0.000 1.079 327 V HN 0.731 nan 8.190 nan 0.000 0.448 328 D N 0.642 121.018 120.400 -0.040 0.000 2.336 328 D HA 0.198 4.837 4.640 -0.000 0.000 0.249 328 D C 1.216 177.509 176.300 -0.011 0.000 1.213 328 D CA 0.379 54.361 54.000 -0.030 0.000 0.870 328 D CB 1.713 42.481 40.800 -0.054 0.000 1.076 328 D HN 0.529 nan 8.370 nan 0.000 0.483 329 S N 3.729 119.432 115.700 0.004 0.000 2.414 329 S HA -0.282 4.188 4.470 -0.000 0.000 0.241 329 S C 1.429 176.036 174.600 0.012 0.000 1.079 329 S CA 1.520 59.729 58.200 0.015 0.000 1.087 329 S CB -0.172 63.036 63.200 0.014 0.000 0.927 329 S HN 0.685 nan 8.310 nan 0.000 0.456 330 E N -0.751 119.449 120.200 -0.000 0.000 2.401 330 E HA -0.057 4.293 4.350 -0.000 0.000 0.199 330 E C 0.850 177.450 176.600 0.000 0.000 1.023 330 E CA 0.495 56.894 56.400 -0.002 0.000 0.859 330 E CB -0.167 29.527 29.700 -0.010 0.000 0.780 330 E HN 0.421 nan 8.360 nan 0.000 0.523 331 C N 1.159 120.458 119.300 -0.001 0.000 2.492 331 C HA 0.283 4.743 4.460 -0.000 0.000 0.317 331 C C 0.406 175.421 174.990 0.042 0.000 1.347 331 C CA -0.488 58.534 59.018 0.007 0.000 1.759 331 C CB -0.946 26.772 27.740 -0.036 0.000 2.127 331 C HN 0.013 nan 8.230 nan 0.000 0.579 345 L N 1.730 122.982 121.223 0.049 0.000 2.307 345 L HA 0.467 4.807 4.340 -0.000 0.000 0.284 345 L C 0.621 177.548 176.870 0.095 0.000 1.023 345 L CA -0.695 54.198 54.840 0.088 0.000 0.810 345 L CB 1.581 43.690 42.059 0.083 0.000 1.231 345 L HN 0.637 nan 8.230 nan 0.000 0.423 346 Q N 1.516 121.390 119.800 0.123 0.000 2.033 346 Q HA -0.002 4.338 4.340 -0.000 0.000 0.196 346 Q C -0.010 176.069 176.000 0.131 0.000 0.970 346 Q CA 1.420 57.284 55.803 0.101 0.000 0.828 346 Q CB 0.242 29.020 28.738 0.067 0.000 0.895 346 Q HN 0.582 nan 8.270 nan 0.000 0.440 347 E N 0.908 121.248 120.200 0.234 0.000 2.561 347 E HA 0.167 4.517 4.350 -0.000 0.000 0.225 347 E C 0.126 176.868 176.600 0.237 0.000 1.035 347 E CA -0.153 56.394 56.400 0.244 0.000 0.904 347 E CB 0.760 30.627 29.700 0.278 0.000 1.291 347 E HN 0.248 nan 8.360 nan 0.000 0.444 348 E N 1.973 122.224 120.200 0.085 0.000 2.072 348 E HA -0.131 4.218 4.350 -0.000 0.000 0.190 348 E C 1.324 177.858 176.600 -0.111 0.000 0.982 348 E CA 0.819 57.192 56.400 -0.045 0.000 0.803 348 E CB 0.309 30.002 29.700 -0.011 0.000 0.755 348 E HN 0.279 nan 8.360 nan 0.000 0.453 349 K N 0.682 121.071 120.400 -0.019 0.000 2.063 349 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 349 K C 2.297 178.767 176.600 -0.215 0.000 1.048 349 K CA 0.898 57.161 56.287 -0.039 0.000 0.928 349 K CB -0.383 32.193 32.500 0.127 0.000 0.713 349 K HN 0.084 nan 8.250 nan 0.000 0.442 350 L N 1.816 122.991 121.223 -0.081 0.000 1.989 350 L HA -0.165 4.175 4.340 -0.000 0.000 0.211 350 L C 2.260 178.999 176.870 -0.219 0.000 1.071 350 L CA 1.352 56.154 54.840 -0.063 0.000 0.749 350 L CB -0.745 41.399 42.059 0.141 0.000 0.890 350 L HN 0.119 nan 8.230 nan 0.000 0.431 351 L N -0.557 120.408 121.223 -0.430 0.000 1.989 351 L HA -0.219 4.121 4.340 -0.000 0.000 0.211 351 L C 2.365 178.957 176.870 -0.462 0.000 1.071 351 L CA 2.019 56.415 54.840 -0.740 0.000 0.749 351 L CB -0.893 40.428 42.059 -1.231 0.000 0.890 351 L HN 0.337 nan 8.230 nan 0.000 0.431 352 L N -0.523 120.431 121.223 -0.448 0.000 2.079 352 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 352 L C 2.686 179.216 176.870 -0.567 0.000 1.081 352 L CA 1.215 55.788 54.840 -0.446 0.000 0.752 352 L CB -1.148 40.628 42.059 -0.471 0.000 0.896 352 L HN 0.431 nan 8.230 nan 0.000 0.433 353 A N -0.005 122.391 122.820 -0.707 0.000 1.858 353 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 353 A C 2.362 179.812 177.584 -0.223 0.000 1.190 353 A CA 1.871 53.612 52.037 -0.494 0.000 0.617 353 A CB -0.885 17.909 19.000 -0.344 0.000 0.827 353 A HN 0.169 nan 8.150 nan 0.000 0.443 354 V N 0.110 119.907 119.914 -0.194 0.000 2.287 354 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 354 V C 2.587 178.649 176.094 -0.052 0.000 1.053 354 V CA 2.072 64.309 62.300 -0.105 0.000 1.027 354 V CB -0.873 30.884 31.823 -0.110 0.000 0.646 354 V HN 0.560 nan 8.190 nan 0.000 0.447 355 L N -0.309 120.872 121.223 -0.071 0.000 1.989 355 L HA -0.260 4.079 4.340 -0.000 0.000 0.211 355 L C 2.651 179.542 176.870 0.035 0.000 1.071 355 L CA 2.337 57.203 54.840 0.044 0.000 0.749 355 L CB -0.574 41.496 42.059 0.017 0.000 0.890 355 L HN 0.315 nan 8.230 nan 0.000 0.431 356 K N -0.697 119.700 120.400 -0.005 0.000 2.032 356 K HA -0.189 4.131 4.320 -0.000 0.000 0.209 356 K C 1.976 178.587 176.600 0.019 0.000 1.048 356 K CA 2.057 58.365 56.287 0.035 0.000 0.927 356 K CB -0.099 32.449 32.500 0.080 0.000 0.712 356 K HN 0.230 nan 8.250 nan 0.000 0.441 357 T N 0.290 114.844 114.554 0.000 0.000 2.674 357 T HA -0.120 4.230 4.350 -0.000 0.000 0.265 357 T C 2.015 176.696 174.700 -0.032 0.000 1.039 357 T CA 1.761 63.859 62.100 -0.002 0.000 1.150 357 T CB -0.323 68.540 68.868 -0.008 0.000 0.864 357 T HN 0.238 nan 8.240 nan 0.000 0.427 358 S N 1.386 117.069 115.700 -0.028 0.000 2.359 358 S HA -0.004 4.465 4.470 -0.000 0.000 0.224 358 S C 2.075 176.527 174.600 -0.247 0.000 1.035 358 S CA 0.946 59.109 58.200 -0.061 0.000 1.018 358 S CB -0.552 62.715 63.200 0.112 0.000 0.876 358 S HN 0.325 nan 8.310 nan 0.000 0.448 359 L N 0.928 121.981 121.223 -0.284 0.000 2.046 359 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 359 L C 2.229 178.795 176.870 -0.508 0.000 1.077 359 L CA 1.159 55.669 54.840 -0.549 0.000 0.747 359 L CB -0.575 41.297 42.059 -0.311 0.000 0.896 359 L HN 0.310 nan 8.230 nan 0.000 0.432 360 I N -0.246 120.219 120.570 -0.175 0.000 2.208 360 I HA -0.232 3.937 4.170 -0.000 0.000 0.245 360 I C 2.573 178.650 176.117 -0.066 0.000 1.097 360 I CA 1.482 62.769 61.300 -0.022 0.000 1.363 360 I CB -0.842 37.215 38.000 0.094 0.000 1.051 360 I HN 0.295 nan 8.210 nan 0.000 0.413 361 G N 0.828 109.561 108.800 -0.112 0.000 2.422 361 G HA2 -0.188 3.771 3.960 -0.000 0.000 0.218 361 G HA3 -0.188 3.771 3.960 -0.000 0.000 0.218 361 G C 1.699 176.511 174.900 -0.146 0.000 1.140 361 G CA 0.452 45.498 45.100 -0.090 0.000 0.775 361 G HN 0.279 nan 8.290 nan 0.000 0.545 362 M N -0.427 118.984 119.600 -0.316 0.000 2.236 362 M HA 0.204 4.684 4.480 -0.000 0.000 0.266 362 M C 1.922 178.085 176.300 -0.229 0.000 1.070 362 M CA 0.856 55.941 55.300 -0.359 0.000 1.137 362 M CB -0.255 31.963 32.600 -0.636 0.000 1.378 362 M HN 0.078 nan 8.290 nan 0.000 0.426 363 F N 0.907 120.684 119.950 -0.288 0.000 2.558 363 F HA 0.066 4.592 4.527 -0.000 0.000 0.298 363 F C 1.094 176.802 175.800 -0.153 0.000 1.119 363 F CA -0.268 57.477 58.000 -0.425 0.000 1.451 363 F CB -0.793 37.505 39.000 -1.170 0.000 1.091 363 F HN 0.067 nan 8.300 nan 0.000 0.563 364 D N 0.000 120.496 120.400 0.159 0.000 6.856 364 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 364 D CA 0.000 54.130 54.000 0.216 0.000 0.868 364 D CB 0.000 40.907 40.800 0.179 0.000 0.688 364 D HN 0.000 nan 8.370 nan 0.000 0.683