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 3kg2_1_D DATA FIRST_RESID 10 DATA SEQUENCE NSIQIGGLFP RGADQEYSAF RVGMVQFSTS EFRLTPHIDN LEVANSFAVT DATA SEQUENCE NAFcSQFSRG VYAIFGFYDK KSVNTITSFC GTLHVSFITP SFPTDGTHPF DATA SEQUENCE VIQMRPDLKG ALLSLIEYYQ WDKFAYLYDS DRGLSTLQAV LDSAAEKKWQ DATA SEQUENCE VTAINVGNIN NDKKDETYRS LFQDLELKKE RRVILDCERD KVNDIVDQVI DATA SEQUENCE TIGKHVKGYH YIIANLGFTD GDLLKIQFGG AEVSGFQIVD YDDSLVSKFI DATA SEQUENCE ERWSTLEEKE YPGAHTATIK YTSALTYDAV QVMTEAFRNL RKQRIEISRR DATA SEQUENCE GNAGDcLANP AVPWGQGVEI ERALKQVQVE GLSGNIKFDQ NGKRINYTIN DATA SEQUENCE IMELKTNGPR KIGYWSEVDK MVLTEDDTSG LEQKTVVVTT ILESPYVMMK DATA SEQUENCE ANHAALAGNE RYEGYCVDLA AEIAKHCGFK YKLTIVGDGK YGARDADTKI DATA SEQUENCE WNGMVGELVY GKADIAIAPL TITLVREEVI DFSKPFMSLG ISIMIKKPQK DATA SEQUENCE SKPGVFSFLD PLAYEIWMCI VFAYIGVSVV LFLVSXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXTN EFGIFNSLWF SLGAFMQXXX XXXPRSLSGR IVGGVWWFFT DATA SEQUENCE LIIISSYTAN LAAFLTVERM VSPIESAEDL SKQTEIAYGT LDSGSTKEFF DATA SEQUENCE RRSKIAVFDK MWTYMRSAEP SVFVRTTAEG VARVRKSKGK YAYLLESTMN DATA SEQUENCE EYIEQRKPcD TMKVGGNLDS KGYGIATPKG SSLGTPVNLA VLKLSEQGLL DATA SEQUENCE DKLKNKWWYD KGEcGAKDSG SKEKTSALSL SNVAGVFYIL VGGLGLAMLV DATA SEQUENCE ALIEFCYK 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 10 N HA 0.000 nan 4.740 nan 0.000 0.220 10 N C 0.000 175.569 175.510 0.099 0.000 1.280 10 N CA 0.000 53.100 53.050 0.083 0.000 0.885 10 N CB 0.000 38.567 38.487 0.133 0.000 1.341 11 S N 3.049 118.791 115.700 0.071 0.000 2.520 11 S HA 0.503 4.978 4.470 0.007 0.000 0.324 11 S C -0.373 174.274 174.600 0.078 0.000 1.069 11 S CA -0.534 57.719 58.200 0.088 0.000 1.121 11 S CB 0.182 63.435 63.200 0.088 0.000 0.971 11 S HN 0.378 nan 8.310 nan 0.000 0.463 12 I N 4.438 125.050 120.570 0.070 0.000 2.306 12 I HA 0.366 4.540 4.170 0.007 0.000 0.288 12 I C 0.781 177.021 176.117 0.204 0.000 1.036 12 I CA -0.498 60.814 61.300 0.020 0.000 1.221 12 I CB 1.004 38.936 38.000 -0.113 0.000 1.385 12 I HN 0.663 nan 8.210 nan 0.000 0.472 13 Q N 8.208 128.227 119.800 0.365 0.000 2.288 13 Q HA 0.621 4.966 4.340 0.007 0.000 0.258 13 Q C -0.579 175.605 176.000 0.307 0.000 0.957 13 Q CA -0.275 55.698 55.803 0.283 0.000 0.919 13 Q CB 1.454 30.301 28.738 0.180 0.000 1.185 13 Q HN 0.747 nan 8.270 nan 0.000 0.408 14 I N -1.339 119.386 120.570 0.258 0.000 2.934 14 I HA 0.946 5.121 4.170 0.007 0.000 0.306 14 I C 0.305 176.578 176.117 0.259 0.000 1.110 14 I CA -1.472 59.983 61.300 0.259 0.000 1.019 14 I CB 2.596 40.759 38.000 0.273 0.000 1.227 14 I HN 0.609 nan 8.210 nan 0.000 0.434 15 G N 1.061 110.003 108.800 0.238 0.000 2.412 15 G HA2 0.633 4.597 3.960 0.007 0.000 0.318 15 G HA3 0.633 4.597 3.960 0.007 0.000 0.318 15 G C -0.561 174.503 174.900 0.272 0.000 1.146 15 G CA -0.839 44.407 45.100 0.243 0.000 0.882 15 G HN 1.077 nan 8.290 nan 0.000 0.501 16 G N 0.297 109.270 108.800 0.288 0.000 2.805 16 G HA2 0.474 4.438 3.960 0.007 0.000 0.283 16 G HA3 0.474 4.438 3.960 0.007 0.000 0.283 16 G C -0.992 174.087 174.900 0.299 0.000 1.508 16 G CA -0.437 44.855 45.100 0.320 0.000 1.042 16 G HN 0.444 nan 8.290 nan 0.000 0.543 17 L N 2.910 124.184 121.223 0.085 0.000 2.314 17 L HA 0.478 4.822 4.340 0.007 0.000 0.275 17 L C -0.688 176.197 176.870 0.025 0.000 1.068 17 L CA -0.449 54.454 54.840 0.106 0.000 0.894 17 L CB -0.011 42.126 42.059 0.130 0.000 1.275 17 L HN 0.389 nan 8.230 nan 0.000 0.432 18 F N 4.040 124.056 119.950 0.110 0.000 2.411 18 F HA 0.472 5.003 4.527 0.007 0.000 0.352 18 F C -1.788 174.016 175.800 0.007 0.000 1.123 18 F CA -2.299 55.768 58.000 0.111 0.000 1.044 18 F CB 1.174 40.216 39.000 0.071 0.000 1.135 18 F HN 0.306 nan 8.300 nan 0.000 0.461 19 P HA 0.119 nan 4.420 nan 0.000 0.268 19 P C -0.145 177.161 177.300 0.009 0.000 1.204 19 P CA -0.206 62.896 63.100 0.003 0.000 0.768 19 P CB 0.383 32.025 31.700 -0.097 0.000 0.842 20 R N 2.502 123.010 120.500 0.012 0.000 2.488 20 R HA 0.371 4.716 4.340 0.007 0.000 0.317 20 R C 1.388 177.685 176.300 -0.005 0.000 0.941 20 R CA 0.534 56.635 56.100 0.002 0.000 1.076 20 R CB -1.791 28.510 30.300 0.003 0.000 0.917 20 R HN 0.945 nan 8.270 nan 0.000 0.407 21 G N 0.000 108.799 108.800 -0.002 0.000 2.255 21 G HA2 0.143 4.107 3.960 0.007 0.000 0.196 21 G HA3 0.143 4.107 3.960 0.007 0.000 0.196 21 G C 0.767 175.676 174.900 0.015 0.000 0.998 21 G CA 0.155 45.257 45.100 0.004 0.000 0.656 21 G HN 1.964 nan 8.290 nan 0.000 0.490 22 A N 1.052 123.883 122.820 0.018 0.000 3.077 22 A HA 0.519 4.844 4.320 0.007 0.000 0.255 22 A C 1.366 179.052 177.584 0.170 0.000 1.728 22 A CA 1.031 53.103 52.037 0.059 0.000 1.383 22 A CB -0.318 18.699 19.000 0.028 0.000 1.097 22 A HN 0.242 nan 8.150 nan 0.000 0.634 23 D N 0.061 120.546 120.400 0.141 0.000 2.077 23 D HA -0.195 4.449 4.640 0.007 0.000 0.196 23 D C 1.868 178.337 176.300 0.281 0.000 0.986 23 D CA 1.613 55.721 54.000 0.180 0.000 0.829 23 D CB -0.264 40.612 40.800 0.128 0.000 0.983 23 D HN 0.717 nan 8.370 nan 0.000 0.453 24 Q N 0.220 120.188 119.800 0.281 0.000 2.170 24 Q HA -0.191 4.154 4.340 0.007 0.000 0.203 24 Q C 1.640 177.911 176.000 0.452 0.000 0.976 24 Q CA 1.252 57.293 55.803 0.396 0.000 0.858 24 Q CB 0.144 29.098 28.738 0.359 0.000 0.907 24 Q HN 0.135 nan 8.270 nan 0.000 0.433 25 E N -0.481 119.954 120.200 0.392 0.000 2.051 25 E HA -0.198 4.156 4.350 0.007 0.000 0.192 25 E C 1.479 178.493 176.600 0.690 0.000 0.991 25 E CA 1.341 58.049 56.400 0.514 0.000 0.799 25 E CB -0.358 29.615 29.700 0.454 0.000 0.748 25 E HN 0.440 nan 8.360 nan 0.000 0.449 26 Y N 0.846 121.389 120.300 0.404 0.000 2.263 26 Y HA -0.143 4.412 4.550 0.008 0.000 0.292 26 Y C 2.236 178.324 175.900 0.313 0.000 1.130 26 Y CA 1.371 59.546 58.100 0.125 0.000 1.179 26 Y CB -0.183 38.130 38.460 -0.245 0.000 0.998 26 Y HN -0.062 nan 8.280 nan 0.000 0.532 27 S N 0.251 116.183 115.700 0.388 0.000 2.370 27 S HA -0.231 4.243 4.470 0.007 0.000 0.226 27 S C 2.244 177.178 174.600 0.556 0.000 1.033 27 S CA 1.194 59.651 58.200 0.429 0.000 1.011 27 S CB -0.774 62.700 63.200 0.456 0.000 0.852 27 S HN 0.614 nan 8.310 nan 0.000 0.457 28 A N 0.428 123.652 122.820 0.673 0.000 1.969 28 A HA 0.015 4.340 4.320 0.007 0.000 0.218 28 A C 1.856 179.751 177.584 0.517 0.000 1.169 28 A CA 0.984 53.419 52.037 0.662 0.000 0.635 28 A CB -0.726 18.548 19.000 0.457 0.000 0.810 28 A HN 0.525 nan 8.150 nan 0.000 0.445 29 F N 0.527 120.634 119.950 0.262 0.000 2.186 29 F HA -0.127 4.404 4.527 0.007 0.000 0.299 29 F C 2.385 178.181 175.800 -0.008 0.000 1.090 29 F CA 1.615 59.679 58.000 0.106 0.000 1.307 29 F CB -0.034 39.047 39.000 0.136 0.000 1.019 29 F HN 0.111 nan 8.300 nan 0.000 0.489 30 R N -0.312 120.176 120.500 -0.021 0.000 2.062 30 R HA -0.102 4.243 4.340 0.007 0.000 0.229 30 R C 2.117 178.465 176.300 0.081 0.000 1.128 30 R CA 1.576 57.641 56.100 -0.058 0.000 0.960 30 R CB -0.861 29.443 30.300 0.007 0.000 0.855 30 R HN 0.202 nan 8.270 nan 0.000 0.432 31 V N 0.615 120.676 119.914 0.244 0.000 2.392 31 V HA -0.202 3.922 4.120 0.007 0.000 0.249 31 V C 2.358 178.607 176.094 0.259 0.000 1.059 31 V CA 2.130 64.579 62.300 0.249 0.000 1.051 31 V CB -0.974 31.074 31.823 0.376 0.000 0.658 31 V HN 0.579 nan 8.190 nan 0.000 0.455 32 G N -0.634 108.319 108.800 0.257 0.000 2.408 32 G HA2 -0.221 3.744 3.960 0.007 0.000 0.217 32 G HA3 -0.221 3.744 3.960 0.007 0.000 0.217 32 G C 1.506 176.416 174.900 0.015 0.000 1.150 32 G CA 0.833 45.983 45.100 0.084 0.000 0.776 32 G HN 0.331 nan 8.290 nan 0.000 0.542 33 M N 0.503 120.017 119.600 -0.145 0.000 2.213 33 M HA -0.022 4.462 4.480 0.007 0.000 0.263 33 M C 2.625 178.890 176.300 -0.058 0.000 1.062 33 M CA 0.800 56.011 55.300 -0.148 0.000 1.105 33 M CB -0.876 31.595 32.600 -0.215 0.000 1.385 33 M HN 0.144 nan 8.290 nan 0.000 0.417 34 V N -0.412 119.481 119.914 -0.036 0.000 2.446 34 V HA -0.185 3.940 4.120 0.007 0.000 0.244 34 V C 2.350 178.385 176.094 -0.098 0.000 1.039 34 V CA 1.449 63.725 62.300 -0.040 0.000 1.045 34 V CB -0.700 31.119 31.823 -0.007 0.000 0.681 34 V HN 0.358 nan 8.190 nan 0.000 0.459 35 Q N 0.147 119.848 119.800 -0.164 0.000 2.230 35 Q HA -0.047 4.298 4.340 0.007 0.000 0.202 35 Q C 1.035 176.679 176.000 -0.594 0.000 0.963 35 Q CA 1.707 57.274 55.803 -0.394 0.000 0.866 35 Q CB -0.101 28.342 28.738 -0.492 0.000 0.931 35 Q HN 0.626 nan 8.270 nan 0.000 0.452 36 F N 0.250 120.143 119.950 -0.094 0.000 2.850 36 F HA 0.347 4.878 4.527 0.006 0.000 0.306 36 F C -0.005 175.703 175.800 -0.153 0.000 1.162 36 F CA -0.557 57.366 58.000 -0.128 0.000 1.327 36 F CB 0.197 39.096 39.000 -0.169 0.000 0.953 36 F HN -0.095 nan 8.300 nan 0.000 0.507 37 S N -0.739 114.935 115.700 -0.044 0.000 2.475 37 S HA 0.597 5.071 4.470 0.007 0.000 0.281 37 S C -0.080 174.434 174.600 -0.143 0.000 1.198 37 S CA -0.404 57.739 58.200 -0.096 0.000 1.063 37 S CB 1.820 64.976 63.200 -0.074 0.000 0.972 37 S HN 0.160 nan 8.310 nan 0.000 0.486 38 T N 1.507 115.912 114.554 -0.248 0.000 2.907 38 T HA 0.480 4.834 4.350 0.007 0.000 0.290 38 T C 1.002 175.560 174.700 -0.236 0.000 1.066 38 T CA -0.647 61.297 62.100 -0.260 0.000 1.012 38 T CB 1.505 70.151 68.868 -0.370 0.000 1.184 38 T HN 0.562 nan 8.240 nan 0.000 0.522 39 S N 1.041 116.647 115.700 -0.156 0.000 2.461 39 S HA 0.072 4.546 4.470 0.007 0.000 0.228 39 S C 2.405 176.960 174.600 -0.076 0.000 1.005 39 S CA 1.222 59.366 58.200 -0.093 0.000 0.942 39 S CB -0.355 62.813 63.200 -0.053 0.000 0.776 39 S HN 0.858 nan 8.310 nan 0.000 0.514 40 E N 1.483 121.614 120.200 -0.115 0.000 2.118 40 E HA 0.049 4.404 4.350 0.007 0.000 0.195 40 E C 0.570 177.267 176.600 0.162 0.000 0.992 40 E CA 1.277 57.690 56.400 0.021 0.000 0.804 40 E CB -0.724 29.023 29.700 0.079 0.000 0.741 40 E HN 0.745 nan 8.360 nan 0.000 0.458 41 F N -5.587 114.358 119.950 -0.009 0.000 2.725 41 F HA 0.732 5.263 4.527 0.007 0.000 0.309 41 F C -0.619 175.176 175.800 -0.008 0.000 1.132 41 F CA -1.045 56.947 58.000 -0.015 0.000 0.957 41 F CB 0.897 39.878 39.000 -0.032 0.000 1.286 41 F HN 0.217 nan 8.300 nan 0.000 0.440 42 R N 1.578 122.178 120.500 0.166 0.000 2.670 42 R HA 0.873 5.218 4.340 0.007 0.000 0.289 42 R C -2.007 174.388 176.300 0.159 0.000 0.965 42 R CA -0.922 55.232 56.100 0.090 0.000 0.899 42 R CB 1.522 31.849 30.300 0.045 0.000 1.173 42 R HN 0.727 nan 8.270 nan 0.000 0.456 43 L N 1.413 122.715 121.223 0.131 0.000 2.292 43 L HA 0.506 4.850 4.340 0.007 0.000 0.284 43 L C 0.345 177.292 176.870 0.129 0.000 1.065 43 L CA -0.157 54.767 54.840 0.141 0.000 0.806 43 L CB 2.203 44.333 42.059 0.117 0.000 1.175 43 L HN 0.788 nan 8.230 nan 0.000 0.431 44 T N 4.506 119.156 114.554 0.160 0.000 3.042 44 T HA 0.377 4.731 4.350 0.007 0.000 0.356 44 T C -2.478 172.357 174.700 0.225 0.000 1.233 44 T CA -1.188 61.014 62.100 0.170 0.000 1.038 44 T CB 0.676 69.637 68.868 0.155 0.000 1.089 44 T HN 0.248 nan 8.240 nan 0.000 0.531 45 P HA 0.139 nan 4.420 nan 0.000 0.282 45 P C -0.465 177.028 177.300 0.322 0.000 1.262 45 P CA -0.337 62.979 63.100 0.360 0.000 0.773 45 P CB 0.327 32.329 31.700 0.504 0.000 0.879 46 H N 5.587 124.786 119.070 0.214 0.000 2.690 46 H HA 0.222 4.782 4.556 0.007 0.000 0.280 46 H C -0.396 175.033 175.328 0.169 0.000 1.138 46 H CA -0.630 55.512 56.048 0.157 0.000 1.241 46 H CB 0.413 30.239 29.762 0.106 0.000 1.394 46 H HN 0.215 nan 8.280 nan 0.000 0.489 47 I N 4.316 124.860 120.570 -0.044 0.000 2.496 47 I HA 0.063 4.237 4.170 0.007 0.000 0.285 47 I C 0.189 176.270 176.117 -0.060 0.000 1.080 47 I CA -0.089 61.224 61.300 0.022 0.000 1.404 47 I CB 0.862 38.840 38.000 -0.036 0.000 1.403 47 I HN 0.539 nan 8.210 nan 0.000 0.539 48 D N 5.344 125.789 120.400 0.075 0.000 2.473 48 D HA 0.216 4.861 4.640 0.007 0.000 0.253 48 D C -0.496 175.853 176.300 0.082 0.000 1.233 48 D CA -0.439 53.598 54.000 0.062 0.000 0.908 48 D CB 0.966 41.837 40.800 0.117 0.000 1.170 48 D HN 0.271 nan 8.370 nan 0.000 0.558 49 N N 2.542 121.256 118.700 0.024 0.000 2.439 49 N HA 0.317 5.061 4.740 0.007 0.000 0.243 49 N C -0.597 174.935 175.510 0.037 0.000 1.088 49 N CA -0.220 52.848 53.050 0.030 0.000 0.940 49 N CB 0.741 39.208 38.487 -0.033 0.000 1.180 49 N HN 0.285 nan 8.380 nan 0.000 0.505 50 L N 0.294 121.551 121.223 0.058 0.000 2.309 50 L HA 0.464 4.808 4.340 0.007 0.000 0.261 50 L C 0.852 177.753 176.870 0.052 0.000 1.021 50 L CA -0.957 53.915 54.840 0.053 0.000 0.823 50 L CB 0.693 42.785 42.059 0.056 0.000 1.366 50 L HN 0.447 nan 8.230 nan 0.000 0.423 51 E N 0.457 120.688 120.200 0.051 0.000 2.161 51 E HA 0.224 4.579 4.350 0.007 0.000 0.263 51 E C 1.039 177.674 176.600 0.058 0.000 1.185 51 E CA 0.578 57.008 56.400 0.050 0.000 0.938 51 E CB 0.267 29.998 29.700 0.051 0.000 1.023 51 E HN 0.601 nan 8.360 nan 0.000 0.433 52 V N 2.315 122.263 119.914 0.058 0.000 2.453 52 V HA -0.220 3.904 4.120 0.007 0.000 0.252 52 V C 2.467 178.610 176.094 0.082 0.000 1.068 52 V CA 3.014 65.359 62.300 0.075 0.000 1.070 52 V CB -0.561 31.310 31.823 0.080 0.000 0.664 52 V HN 0.926 nan 8.190 nan 0.000 0.461 53 A N 0.183 123.048 122.820 0.074 0.000 1.898 53 A HA -0.131 4.193 4.320 0.007 0.000 0.216 53 A C 1.519 179.146 177.584 0.071 0.000 1.181 53 A CA 1.335 53.419 52.037 0.077 0.000 0.620 53 A CB -0.695 18.345 19.000 0.066 0.000 0.819 53 A HN 0.626 nan 8.150 nan 0.000 0.442 54 N N 0.748 119.491 118.700 0.071 0.000 2.429 54 N HA 0.079 4.823 4.740 0.007 0.000 0.271 54 N C 0.773 176.333 175.510 0.083 0.000 1.272 54 N CA 0.619 53.721 53.050 0.087 0.000 0.921 54 N CB 0.636 39.187 38.487 0.107 0.000 1.128 54 N HN 0.234 nan 8.380 nan 0.000 0.481 55 S N 3.404 119.153 115.700 0.081 0.000 2.368 55 S HA -0.138 4.337 4.470 0.007 0.000 0.225 55 S C 1.453 176.084 174.600 0.051 0.000 1.030 55 S CA 0.622 58.849 58.200 0.046 0.000 0.999 55 S CB -0.356 62.872 63.200 0.046 0.000 0.844 55 S HN 0.721 nan 8.310 nan 0.000 0.459 56 F N 2.747 122.686 119.950 -0.019 0.000 2.069 56 F HA -0.148 4.383 4.527 0.007 0.000 0.298 56 F C 2.367 178.152 175.800 -0.025 0.000 1.113 56 F CA 1.259 59.247 58.000 -0.020 0.000 1.214 56 F CB -0.828 38.169 39.000 -0.004 0.000 0.978 56 F HN 0.173 nan 8.300 nan 0.000 0.474 57 A N 0.059 122.920 122.820 0.068 0.000 1.908 57 A HA -0.172 4.153 4.320 0.007 0.000 0.218 57 A C 2.283 179.795 177.584 -0.120 0.000 1.181 57 A CA 2.149 54.163 52.037 -0.037 0.000 0.627 57 A CB -1.494 17.564 19.000 0.098 0.000 0.818 57 A HN 0.324 nan 8.150 nan 0.000 0.445 58 V N -0.090 119.776 119.914 -0.081 0.000 2.407 58 V HA -0.233 3.891 4.120 0.007 0.000 0.248 58 V C 2.704 178.686 176.094 -0.188 0.000 1.055 58 V CA 2.410 64.656 62.300 -0.089 0.000 1.049 58 V CB -1.282 30.494 31.823 -0.077 0.000 0.662 58 V HN 0.645 nan 8.190 nan 0.000 0.455 59 T N 0.231 114.600 114.554 -0.308 0.000 2.777 59 T HA -0.161 4.194 4.350 0.007 0.000 0.266 59 T C 1.809 176.304 174.700 -0.343 0.000 1.040 59 T CA 1.727 63.552 62.100 -0.458 0.000 1.141 59 T CB -0.371 68.222 68.868 -0.459 0.000 0.868 59 T HN 0.442 nan 8.240 nan 0.000 0.444 60 N N 1.583 120.061 118.700 -0.371 0.000 2.106 60 N HA 0.047 4.791 4.740 0.007 0.000 0.188 60 N C 2.066 177.511 175.510 -0.107 0.000 1.029 60 N CA 1.295 54.189 53.050 -0.261 0.000 0.848 60 N CB -0.659 37.634 38.487 -0.324 0.000 1.007 60 N HN 0.412 nan 8.380 nan 0.000 0.423 61 A N -0.236 122.545 122.820 -0.065 0.000 2.024 61 A HA -0.125 4.200 4.320 0.007 0.000 0.220 61 A C 2.060 179.681 177.584 0.061 0.000 1.164 61 A CA 0.974 53.025 52.037 0.023 0.000 0.643 61 A CB -0.825 18.208 19.000 0.054 0.000 0.806 61 A HN 0.368 nan 8.150 nan 0.000 0.451 62 F N 0.009 119.887 119.950 -0.119 0.000 2.149 62 F HA -0.137 4.395 4.527 0.007 0.000 0.294 62 F C 2.355 178.123 175.800 -0.053 0.000 1.095 62 F CA 1.697 59.635 58.000 -0.104 0.000 1.276 62 F CB -0.449 38.386 39.000 -0.276 0.000 1.023 62 F HN 0.259 nan 8.300 nan 0.000 0.480 63 c N -0.401 118.193 118.600 -0.010 0.000 2.432 63 c HA -0.092 4.482 4.570 0.007 0.000 0.280 63 c C 3.154 177.235 174.090 -0.016 0.000 1.353 63 c CA 1.244 57.572 56.329 -0.001 0.000 1.766 63 c CB -1.393 41.139 42.510 0.036 0.000 1.924 63 c HN 0.668 nan 8.230 nan 0.000 0.509 64 S N 0.555 116.229 115.700 -0.043 0.000 2.355 64 S HA -0.163 4.312 4.470 0.007 0.000 0.222 64 S C 2.345 176.885 174.600 -0.100 0.000 1.031 64 S CA 2.185 60.355 58.200 -0.050 0.000 0.993 64 S CB -0.373 62.819 63.200 -0.013 0.000 0.859 64 S HN 0.711 nan 8.310 nan 0.000 0.453 65 Q N -0.324 119.420 119.800 -0.093 0.000 2.291 65 Q HA 0.062 4.407 4.340 0.007 0.000 0.205 65 Q C 1.818 177.710 176.000 -0.178 0.000 0.970 65 Q CA 1.521 57.250 55.803 -0.122 0.000 0.876 65 Q CB -1.121 27.599 28.738 -0.029 0.000 0.935 65 Q HN 0.822 nan 8.270 nan 0.000 0.455 66 F N 0.497 120.216 119.950 -0.384 0.000 2.270 66 F HA 0.053 4.585 4.527 0.007 0.000 0.295 66 F C 2.381 177.986 175.800 -0.326 0.000 1.087 66 F CA 1.509 59.258 58.000 -0.420 0.000 1.365 66 F CB 0.112 38.804 39.000 -0.514 0.000 1.056 66 F HN 0.223 nan 8.300 nan 0.000 0.506 67 S N 0.287 115.819 115.700 -0.280 0.000 2.406 67 S HA -0.104 4.371 4.470 0.007 0.000 0.228 67 S C 2.235 176.629 174.600 -0.343 0.000 1.020 67 S CA 1.114 59.122 58.200 -0.321 0.000 0.965 67 S CB -0.574 62.535 63.200 -0.151 0.000 0.798 67 S HN 0.513 nan 8.310 nan 0.000 0.488 68 R N 1.332 121.646 120.500 -0.310 0.000 2.316 68 R HA 0.342 4.687 4.340 0.007 0.000 0.202 68 R C 1.261 177.355 176.300 -0.343 0.000 1.029 68 R CA 0.855 56.773 56.100 -0.303 0.000 1.018 68 R CB -1.741 28.353 30.300 -0.344 0.000 0.888 68 R HN 0.739 nan 8.270 nan 0.000 0.471 69 G N 0.156 108.672 108.800 -0.473 0.000 2.462 69 G HA2 -0.049 3.915 3.960 0.007 0.000 0.283 69 G HA3 -0.049 3.915 3.960 0.007 0.000 0.283 69 G C 0.198 174.773 174.900 -0.541 0.000 1.043 69 G CA 0.368 45.110 45.100 -0.596 0.000 1.300 69 G HN 1.607 nan 8.290 nan 0.000 0.518 70 V N -1.219 118.434 119.914 -0.436 0.000 2.837 70 V HA 0.799 4.923 4.120 0.007 0.000 0.310 70 V C 1.114 177.065 176.094 -0.239 0.000 1.059 70 V CA -0.837 61.317 62.300 -0.244 0.000 1.004 70 V CB 1.181 32.985 31.823 -0.031 0.000 1.045 70 V HN 0.314 nan 8.190 nan 0.000 0.465 71 Y N 1.614 122.003 120.300 0.147 0.000 2.509 71 Y HA 0.732 5.287 4.550 0.007 0.000 0.270 71 Y C 1.104 177.186 175.900 0.304 0.000 1.103 71 Y CA 0.725 59.008 58.100 0.305 0.000 1.278 71 Y CB 0.366 38.960 38.460 0.224 0.000 1.087 71 Y HN 1.008 nan 8.280 nan 0.000 0.542 72 A N -0.076 122.960 122.820 0.360 0.000 2.612 72 A HA 0.708 5.032 4.320 0.007 0.000 0.293 72 A C -1.688 176.041 177.584 0.241 0.000 1.075 72 A CA -0.617 51.594 52.037 0.291 0.000 0.680 72 A CB 0.874 20.012 19.000 0.231 0.000 1.279 72 A HN 0.067 nan 8.150 nan 0.000 0.411 73 I N 0.968 121.669 120.570 0.218 0.000 2.466 73 I HA 0.452 4.626 4.170 0.007 0.000 0.289 73 I C -1.235 174.819 176.117 -0.105 0.000 1.026 73 I CA -0.311 61.085 61.300 0.161 0.000 1.078 73 I CB 1.907 40.103 38.000 0.326 0.000 1.249 73 I HN 0.660 nan 8.210 nan 0.000 0.429 74 F N 5.831 125.630 119.950 -0.253 0.000 2.444 74 F HA 0.851 5.382 4.527 0.007 0.000 0.342 74 F C 0.126 175.544 175.800 -0.637 0.000 1.121 74 F CA -0.006 57.689 58.000 -0.508 0.000 0.997 74 F CB 1.402 40.276 39.000 -0.210 0.000 1.130 74 F HN 0.505 nan 8.300 nan 0.000 0.454 75 G N 3.994 111.763 108.800 -1.719 0.000 2.578 75 G HA2 0.518 4.483 3.960 0.007 0.000 0.302 75 G HA3 0.518 4.483 3.960 0.007 0.000 0.302 75 G C -2.127 171.992 174.900 -1.302 0.000 1.243 75 G CA -0.749 43.615 45.100 -1.226 0.000 0.843 75 G HN 0.470 nan 8.290 nan 0.000 0.486 76 F N -0.389 119.339 119.950 -0.369 0.000 2.620 76 F HA 0.781 5.312 4.527 0.007 0.000 0.320 76 F C -0.550 175.180 175.800 -0.116 0.000 1.069 76 F CA -0.810 56.981 58.000 -0.348 0.000 0.953 76 F CB 2.361 41.159 39.000 -0.336 0.000 1.322 76 F HN 0.655 nan 8.300 nan 0.000 0.479 77 Y N -1.346 119.018 120.300 0.106 0.000 2.588 77 Y HA 0.736 5.291 4.550 0.007 0.000 0.343 77 Y C -1.447 174.508 175.900 0.092 0.000 1.065 77 Y CA -1.679 56.431 58.100 0.016 0.000 1.038 77 Y CB 0.835 39.211 38.460 -0.140 0.000 1.297 77 Y HN 0.501 nan 8.280 nan 0.000 0.467 78 D N 0.271 120.903 120.400 0.386 0.000 2.440 78 D HA 0.402 5.046 4.640 0.007 0.000 0.258 78 D C 0.992 177.582 176.300 0.484 0.000 1.092 78 D CA 0.234 54.478 54.000 0.407 0.000 1.016 78 D CB 1.853 42.787 40.800 0.223 0.000 1.141 78 D HN 0.862 nan 8.370 nan 0.000 0.552 79 K N 0.077 120.708 120.400 0.385 0.000 2.442 79 K HA -0.024 4.300 4.320 0.007 0.000 0.198 79 K C 1.713 178.410 176.600 0.161 0.000 1.044 79 K CA 2.207 58.652 56.287 0.263 0.000 0.948 79 K CB -1.167 31.366 32.500 0.056 0.000 0.762 79 K HN 0.498 nan 8.250 nan 0.000 0.472 80 K N 0.201 120.683 120.400 0.137 0.000 2.287 80 K HA 0.104 4.428 4.320 0.007 0.000 0.199 80 K C 2.278 178.904 176.600 0.043 0.000 1.061 80 K CA 1.408 57.740 56.287 0.075 0.000 0.976 80 K CB -0.367 32.174 32.500 0.068 0.000 0.898 80 K HN 0.711 nan 8.250 nan 0.000 0.492 81 S N 0.106 115.838 115.700 0.055 0.000 2.548 81 S HA 0.021 4.496 4.470 0.007 0.000 0.215 81 S C 1.959 176.488 174.600 -0.119 0.000 0.976 81 S CA 0.738 58.932 58.200 -0.011 0.000 0.908 81 S CB 0.171 63.385 63.200 0.023 0.000 0.781 81 S HN 0.329 nan 8.310 nan 0.000 0.519 82 V N 3.174 123.004 119.914 -0.141 0.000 2.332 82 V HA -0.233 3.892 4.120 0.007 0.000 0.248 82 V C 2.024 177.806 176.094 -0.521 0.000 1.055 82 V CA 2.327 64.299 62.300 -0.547 0.000 1.038 82 V CB -0.896 30.624 31.823 -0.505 0.000 0.651 82 V HN 0.508 nan 8.190 nan 0.000 0.450 83 N N -0.085 118.440 118.700 -0.292 0.000 2.223 83 N HA -0.121 4.623 4.740 0.007 0.000 0.185 83 N C 1.809 177.187 175.510 -0.220 0.000 1.016 83 N CA 1.938 54.840 53.050 -0.248 0.000 0.863 83 N CB -0.599 37.813 38.487 -0.125 0.000 0.983 83 N HN 0.562 nan 8.380 nan 0.000 0.429 84 T N 2.326 116.765 114.554 -0.191 0.000 2.708 84 T HA -0.030 4.324 4.350 0.007 0.000 0.266 84 T C 2.006 176.549 174.700 -0.261 0.000 1.037 84 T CA 0.562 62.578 62.100 -0.140 0.000 1.146 84 T CB 0.002 68.762 68.868 -0.180 0.000 0.865 84 T HN 0.079 nan 8.240 nan 0.000 0.435 85 I N 2.340 122.636 120.570 -0.456 0.000 2.113 85 I HA -0.168 4.007 4.170 0.007 0.000 0.238 85 I C 3.074 178.876 176.117 -0.525 0.000 1.070 85 I CA 2.098 63.004 61.300 -0.657 0.000 1.332 85 I CB -1.950 35.514 38.000 -0.894 0.000 1.044 85 I HN 0.436 nan 8.210 nan 0.000 0.402 86 T N -2.076 112.179 114.554 -0.498 0.000 2.778 86 T HA -0.189 4.166 4.350 0.007 0.000 0.269 86 T C 2.110 176.687 174.700 -0.205 0.000 1.050 86 T CA 1.923 63.803 62.100 -0.366 0.000 1.137 86 T CB -0.566 67.943 68.868 -0.598 0.000 0.860 86 T HN 0.236 nan 8.240 nan 0.000 0.468 87 S N -0.003 115.573 115.700 -0.206 0.000 2.336 87 S HA 0.093 4.568 4.470 0.007 0.000 0.216 87 S C 1.624 176.090 174.600 -0.223 0.000 1.032 87 S CA 0.518 58.617 58.200 -0.168 0.000 0.973 87 S CB -0.670 62.431 63.200 -0.165 0.000 0.888 87 S HN 0.528 nan 8.310 nan 0.000 0.455 88 F N 1.521 121.226 119.950 -0.409 0.000 2.102 88 F HA -0.137 4.394 4.527 0.007 0.000 0.298 88 F C 2.816 178.414 175.800 -0.337 0.000 1.105 88 F CA 1.283 58.990 58.000 -0.487 0.000 1.239 88 F CB -0.658 37.723 39.000 -1.032 0.000 0.991 88 F HN 0.310 nan 8.300 nan 0.000 0.474 89 C N -0.135 119.070 119.300 -0.160 0.000 2.419 89 C HA -0.108 4.357 4.460 0.007 0.000 0.281 89 C C 2.992 177.929 174.990 -0.089 0.000 1.336 89 C CA 1.171 60.206 59.018 0.029 0.000 1.770 89 C CB -1.816 25.977 27.740 0.089 0.000 1.929 89 C HN 0.674 nan 8.230 nan 0.000 0.509 90 G N -0.327 108.421 108.800 -0.086 0.000 2.453 90 G HA2 -0.078 3.886 3.960 0.007 0.000 0.215 90 G HA3 -0.078 3.886 3.960 0.007 0.000 0.215 90 G C 1.691 176.496 174.900 -0.159 0.000 1.147 90 G CA 1.313 46.362 45.100 -0.085 0.000 0.802 90 G HN 0.484 nan 8.290 nan 0.000 0.535 91 T N 1.252 115.733 114.554 -0.122 0.000 2.851 91 T HA 0.085 4.440 4.350 0.007 0.000 0.262 91 T C 2.075 176.792 174.700 0.027 0.000 1.043 91 T CA 0.420 62.479 62.100 -0.068 0.000 1.140 91 T CB -0.100 68.655 68.868 -0.188 0.000 0.872 91 T HN 0.101 nan 8.240 nan 0.000 0.446 92 L N 0.309 121.522 121.223 -0.016 0.000 2.611 92 L HA 0.236 4.580 4.340 0.007 0.000 0.229 92 L C 0.265 177.226 176.870 0.151 0.000 1.137 92 L CA 0.074 54.942 54.840 0.047 0.000 0.901 92 L CB -0.601 41.378 42.059 -0.133 0.000 1.098 92 L HN 0.361 nan 8.230 nan 0.000 0.456 93 H N -1.738 117.048 119.070 -0.475 0.000 2.776 93 H HA -0.130 4.430 4.556 0.008 0.000 0.300 93 H C -0.153 174.798 175.328 -0.628 0.000 1.161 93 H CA 0.224 55.542 56.048 -1.217 0.000 1.147 93 H CB -2.052 27.319 29.762 -0.651 0.000 1.366 93 H HN 0.049 nan 8.280 nan 0.000 0.397 94 V N 0.407 120.290 119.914 -0.052 0.000 2.465 94 V HA 0.275 4.399 4.120 0.007 0.000 0.279 94 V C 0.830 177.160 176.094 0.395 0.000 1.045 94 V CA -0.349 62.154 62.300 0.338 0.000 0.938 94 V CB 1.928 34.020 31.823 0.448 0.000 0.986 94 V HN 0.353 nan 8.190 nan 0.000 0.467 95 S N 4.712 120.687 115.700 0.458 0.000 2.545 95 S HA 0.515 4.989 4.470 0.007 0.000 0.275 95 S C -0.640 174.198 174.600 0.396 0.000 1.299 95 S CA -0.150 58.302 58.200 0.420 0.000 1.048 95 S CB 0.314 63.688 63.200 0.290 0.000 0.938 95 S HN 0.565 nan 8.310 nan 0.000 0.496 96 F N 3.740 123.804 119.950 0.189 0.000 2.496 96 F HA 0.543 5.075 4.527 0.007 0.000 0.341 96 F C -1.250 174.588 175.800 0.064 0.000 1.134 96 F CA -1.003 57.078 58.000 0.136 0.000 0.968 96 F CB 0.420 39.499 39.000 0.132 0.000 1.205 96 F HN 0.333 nan 8.300 nan 0.000 0.436 97 I N 4.716 125.084 120.570 -0.336 0.000 2.331 97 I HA 0.467 4.642 4.170 0.007 0.000 0.292 97 I C 0.155 175.923 176.117 -0.581 0.000 0.998 97 I CA -0.085 61.078 61.300 -0.228 0.000 1.267 97 I CB 1.676 39.685 38.000 0.015 0.000 1.386 97 I HN 0.562 nan 8.210 nan 0.000 0.476 98 T N 6.480 120.797 114.554 -0.394 0.000 2.993 98 T HA 0.491 4.845 4.350 0.007 0.000 0.312 98 T C -2.442 172.022 174.700 -0.393 0.000 1.115 98 T CA -1.502 60.197 62.100 -0.669 0.000 1.027 98 T CB 1.924 70.492 68.868 -0.500 0.000 1.116 98 T HN 0.256 nan 8.240 nan 0.000 0.464 99 P HA 0.215 nan 4.420 nan 0.000 0.240 99 P C 0.411 177.657 177.300 -0.091 0.000 1.190 99 P CA 0.079 63.096 63.100 -0.139 0.000 0.781 99 P CB 0.200 31.904 31.700 0.007 0.000 0.931 100 S N 0.652 116.183 115.700 -0.281 0.000 2.612 100 S HA 0.160 4.635 4.470 0.007 0.000 0.253 100 S C 0.389 174.891 174.600 -0.163 0.000 1.346 100 S CA -0.465 57.581 58.200 -0.258 0.000 0.976 100 S CB -0.429 62.299 63.200 -0.787 0.000 0.949 100 S HN 0.196 nan 8.310 nan 0.000 0.584 101 F N 0.187 120.162 119.950 0.041 0.000 2.602 101 F HA 0.395 4.926 4.527 0.007 0.000 0.367 101 F C -2.553 173.359 175.800 0.187 0.000 1.126 101 F CA -2.391 55.685 58.000 0.128 0.000 1.321 101 F CB -1.324 37.767 39.000 0.152 0.000 1.094 101 F HN 0.181 nan 8.300 nan 0.000 0.594 102 P HA 0.078 nan 4.420 nan 0.000 0.267 102 P C -0.292 177.188 177.300 0.299 0.000 1.200 102 P CA -0.227 63.005 63.100 0.220 0.000 0.772 102 P CB 0.515 32.323 31.700 0.180 0.000 0.855 103 T N -1.225 113.458 114.554 0.216 0.000 2.919 103 T HA 0.129 4.484 4.350 0.007 0.000 0.302 103 T C 0.040 174.892 174.700 0.253 0.000 1.031 103 T CA -0.676 61.547 62.100 0.204 0.000 1.127 103 T CB 0.004 68.957 68.868 0.141 0.000 0.952 103 T HN 0.178 nan 8.240 nan 0.000 0.540 104 D N 2.847 123.400 120.400 0.255 0.000 2.600 104 D HA 0.499 5.143 4.640 0.007 0.000 0.226 104 D C 0.965 177.374 176.300 0.182 0.000 1.119 104 D CA 0.622 54.739 54.000 0.196 0.000 1.051 104 D CB -0.307 40.588 40.800 0.158 0.000 1.106 104 D HN 1.017 nan 8.370 nan 0.000 0.491 105 G N -0.058 108.820 108.800 0.131 0.000 2.356 105 G HA2 0.148 4.113 3.960 0.007 0.000 0.266 105 G HA3 0.148 4.113 3.960 0.007 0.000 0.266 105 G C -0.860 173.997 174.900 -0.072 0.000 1.312 105 G CA -0.374 44.715 45.100 -0.019 0.000 0.922 105 G HN 0.215 nan 8.290 nan 0.000 0.480 106 T N -1.578 112.820 114.554 -0.259 0.000 3.250 106 T HA 0.601 4.956 4.350 0.007 0.000 0.391 106 T C -0.780 173.762 174.700 -0.264 0.000 1.502 106 T CA -0.366 61.632 62.100 -0.170 0.000 1.320 106 T CB 0.137 68.941 68.868 -0.107 0.000 1.102 106 T HN 0.661 nan 8.240 nan 0.000 0.610 107 H N 2.781 121.854 119.070 0.004 0.000 2.640 107 H HA 0.452 5.012 4.556 0.007 0.000 0.297 107 H C -2.360 172.975 175.328 0.013 0.000 1.073 107 H CA -1.589 54.458 56.048 -0.002 0.000 1.305 107 H CB 0.717 30.463 29.762 -0.026 0.000 1.404 107 H HN 0.381 nan 8.280 nan 0.000 0.459 108 P HA -0.005 nan 4.420 nan 0.000 0.271 108 P C -0.292 177.113 177.300 0.175 0.000 1.233 108 P CA -0.304 62.816 63.100 0.034 0.000 0.789 108 P CB 0.399 32.110 31.700 0.019 0.000 0.951 109 F N -2.570 117.371 119.950 -0.015 0.000 3.074 109 F HA -0.172 4.360 4.527 0.008 0.000 0.289 109 F C -0.321 175.530 175.800 0.084 0.000 0.863 109 F CA 0.445 58.456 58.000 0.018 0.000 1.121 109 F CB -1.985 37.019 39.000 0.006 0.000 1.169 109 F HN -0.061 nan 8.300 nan 0.000 0.570 110 V N 1.935 121.953 119.914 0.172 0.000 2.569 110 V HA 0.478 4.602 4.120 0.007 0.000 0.301 110 V C 0.005 176.167 176.094 0.113 0.000 1.044 110 V CA -0.884 61.536 62.300 0.200 0.000 0.874 110 V CB 2.314 34.249 31.823 0.188 0.000 1.002 110 V HN 0.017 nan 8.190 nan 0.000 0.424 111 I N 4.392 125.011 120.570 0.082 0.000 2.330 111 I HA 0.466 4.641 4.170 0.007 0.000 0.289 111 I C 0.048 176.210 176.117 0.074 0.000 1.001 111 I CA -0.430 60.859 61.300 -0.019 0.000 1.193 111 I CB 1.472 39.353 38.000 -0.198 0.000 1.345 111 I HN 0.696 nan 8.210 nan 0.000 0.461 112 Q N 5.783 125.681 119.800 0.164 0.000 2.347 112 Q HA 0.403 4.747 4.340 0.007 0.000 0.262 112 Q C 0.665 176.784 176.000 0.199 0.000 0.980 112 Q CA -0.608 55.284 55.803 0.150 0.000 0.867 112 Q CB 2.521 31.344 28.738 0.142 0.000 1.242 112 Q HN 0.464 nan 8.270 nan 0.000 0.453 113 M N 0.650 120.325 119.600 0.126 0.000 2.349 113 M HA 0.001 4.485 4.480 0.007 0.000 0.266 113 M C 1.116 177.446 176.300 0.050 0.000 1.076 113 M CA 0.858 56.233 55.300 0.124 0.000 1.126 113 M CB -0.514 32.153 32.600 0.113 0.000 1.392 113 M HN 0.612 nan 8.290 nan 0.000 0.440 114 R N 2.469 122.998 120.500 0.048 0.000 2.267 114 R HA 0.433 4.777 4.340 0.007 0.000 0.319 114 R C -2.797 173.457 176.300 -0.076 0.000 1.067 114 R CA -1.451 54.669 56.100 0.034 0.000 0.936 114 R CB -1.578 28.796 30.300 0.122 0.000 1.006 114 R HN 0.120 nan 8.270 nan 0.000 0.452 115 P HA 0.094 nan 4.420 nan 0.000 0.272 115 P C -0.888 176.238 177.300 -0.291 0.000 1.230 115 P CA -0.530 62.246 63.100 -0.540 0.000 0.788 115 P CB 0.686 31.715 31.700 -1.118 0.000 0.949 116 D N 1.175 121.465 120.400 -0.183 0.000 2.339 116 D HA 0.014 4.658 4.640 0.007 0.000 0.256 116 D C 0.620 176.856 176.300 -0.106 0.000 1.214 116 D CA -0.006 53.971 54.000 -0.038 0.000 0.877 116 D CB 0.368 41.212 40.800 0.073 0.000 1.111 116 D HN 0.087 nan 8.370 nan 0.000 0.478 117 L N 4.603 125.711 121.223 -0.192 0.000 2.446 117 L HA 0.070 4.414 4.340 0.007 0.000 0.219 117 L C 2.362 178.977 176.870 -0.425 0.000 1.116 117 L CA 1.521 56.126 54.840 -0.391 0.000 0.844 117 L CB -0.722 41.086 42.059 -0.417 0.000 0.970 117 L HN 0.473 nan 8.230 nan 0.000 0.457 118 K N 0.069 120.334 120.400 -0.225 0.000 2.107 118 K HA -0.170 4.154 4.320 0.007 0.000 0.211 118 K C 2.037 178.507 176.600 -0.217 0.000 1.049 118 K CA 1.836 58.028 56.287 -0.158 0.000 0.927 118 K CB -2.146 30.325 32.500 -0.049 0.000 0.714 118 K HN 0.606 nan 8.250 nan 0.000 0.452 119 G N 0.068 108.697 108.800 -0.285 0.000 2.404 119 G HA2 0.078 4.042 3.960 0.007 0.000 0.215 119 G HA3 0.078 4.042 3.960 0.007 0.000 0.215 119 G C 2.055 176.491 174.900 -0.772 0.000 1.174 119 G CA 1.594 46.512 45.100 -0.303 0.000 0.780 119 G HN 0.891 nan 8.290 nan 0.000 0.537 120 A N 0.257 122.161 122.820 -1.527 0.000 1.972 120 A HA 0.108 4.433 4.320 0.007 0.000 0.219 120 A C 2.354 179.573 177.584 -0.608 0.000 1.169 120 A CA 1.336 52.401 52.037 -1.619 0.000 0.635 120 A CB -0.362 17.855 19.000 -1.305 0.000 0.810 120 A HN 0.386 nan 8.150 nan 0.000 0.446 121 L N -0.501 120.404 121.223 -0.530 0.000 2.005 121 L HA -0.125 4.219 4.340 0.007 0.000 0.207 121 L C 2.472 179.310 176.870 -0.053 0.000 1.072 121 L CA 1.360 56.108 54.840 -0.154 0.000 0.744 121 L CB -0.299 41.658 42.059 -0.169 0.000 0.895 121 L HN 0.412 nan 8.230 nan 0.000 0.433 122 L N -0.870 120.325 121.223 -0.047 0.000 2.079 122 L HA -0.244 4.101 4.340 0.007 0.000 0.210 122 L C 2.596 179.536 176.870 0.118 0.000 1.081 122 L CA 1.338 56.235 54.840 0.096 0.000 0.752 122 L CB -0.607 41.539 42.059 0.145 0.000 0.896 122 L HN 0.262 nan 8.230 nan 0.000 0.433 123 S N -0.023 115.727 115.700 0.083 0.000 2.383 123 S HA -0.148 4.327 4.470 0.007 0.000 0.227 123 S C 1.845 176.489 174.600 0.072 0.000 1.026 123 S CA 1.021 59.312 58.200 0.152 0.000 0.981 123 S CB -0.258 63.142 63.200 0.333 0.000 0.818 123 S HN 0.235 nan 8.310 nan 0.000 0.472 124 L N 1.948 123.180 121.223 0.015 0.000 2.093 124 L HA 0.062 4.406 4.340 0.007 0.000 0.208 124 L C 1.864 178.644 176.870 -0.150 0.000 1.085 124 L CA 1.418 56.221 54.840 -0.061 0.000 0.755 124 L CB -0.508 41.546 42.059 -0.009 0.000 0.904 124 L HN 0.284 nan 8.230 nan 0.000 0.435 125 I N -0.674 119.760 120.570 -0.227 0.000 2.163 125 I HA -0.304 3.870 4.170 0.007 0.000 0.243 125 I C 2.318 178.295 176.117 -0.234 0.000 1.085 125 I CA 1.518 62.536 61.300 -0.470 0.000 1.347 125 I CB -0.405 37.229 38.000 -0.610 0.000 1.044 125 I HN 0.357 nan 8.210 nan 0.000 0.408 126 E N -0.064 120.144 120.200 0.012 0.000 2.150 126 E HA -0.257 4.098 4.350 0.007 0.000 0.193 126 E C 2.050 178.675 176.600 0.042 0.000 0.985 126 E CA 1.191 57.668 56.400 0.129 0.000 0.814 126 E CB -0.194 29.630 29.700 0.207 0.000 0.752 126 E HN 0.552 nan 8.360 nan 0.000 0.466 127 Y N 0.258 120.458 120.300 -0.166 0.000 2.128 127 Y HA -0.296 4.259 4.550 0.008 0.000 0.284 127 Y C 1.580 177.297 175.900 -0.304 0.000 1.154 127 Y CA 1.677 59.610 58.100 -0.279 0.000 1.149 127 Y CB -0.230 37.957 38.460 -0.456 0.000 0.976 127 Y HN 0.028 nan 8.280 nan 0.000 0.505 128 Y N 0.950 121.044 120.300 -0.345 0.000 2.578 128 Y HA -0.014 4.541 4.550 0.008 0.000 0.297 128 Y C 0.465 176.316 175.900 -0.082 0.000 1.176 128 Y CA 0.558 58.432 58.100 -0.376 0.000 1.315 128 Y CB -0.277 37.840 38.460 -0.572 0.000 1.031 128 Y HN 0.208 nan 8.280 nan 0.000 0.524 129 Q N -1.105 118.727 119.800 0.053 0.000 2.459 129 Q HA -0.236 4.109 4.340 0.007 0.000 0.322 129 Q C -1.517 174.675 176.000 0.321 0.000 1.427 129 Q CA 0.036 55.933 55.803 0.156 0.000 0.861 129 Q CB -1.603 27.189 28.738 0.090 0.000 1.137 129 Q HN 0.415 nan 8.270 nan 0.000 0.394 130 W N 1.213 122.466 121.300 -0.079 0.000 2.365 130 W HA 0.240 4.905 4.660 0.009 0.000 0.316 130 W C 0.960 177.417 176.519 -0.104 0.000 1.164 130 W CA -0.316 56.954 57.345 -0.125 0.000 1.204 130 W CB 0.582 29.872 29.460 -0.282 0.000 1.213 130 W HN 0.365 nan 8.180 nan 0.000 0.539 131 D N 0.315 120.823 120.400 0.181 0.000 2.473 131 D HA 0.156 4.800 4.640 0.007 0.000 0.242 131 D C 0.192 176.564 176.300 0.121 0.000 1.106 131 D CA 0.178 54.316 54.000 0.231 0.000 0.854 131 D CB 0.030 40.963 40.800 0.222 0.000 1.192 131 D HN 0.156 nan 8.370 nan 0.000 0.503 132 K N 0.550 120.965 120.400 0.024 0.000 2.637 132 K HA 0.632 4.956 4.320 0.007 0.000 0.248 132 K C -1.263 175.277 176.600 -0.099 0.000 0.971 132 K CA -0.912 55.313 56.287 -0.103 0.000 0.858 132 K CB 0.695 33.143 32.500 -0.086 0.000 1.170 132 K HN 0.291 nan 8.250 nan 0.000 0.443 133 F N -0.330 119.564 119.950 -0.093 0.000 2.645 133 F HA 0.844 5.376 4.527 0.009 0.000 0.310 133 F C -0.014 175.814 175.800 0.047 0.000 1.102 133 F CA -1.783 56.158 58.000 -0.097 0.000 0.952 133 F CB 1.274 40.284 39.000 0.018 0.000 1.326 133 F HN 0.537 nan 8.300 nan 0.000 0.456 134 A N 1.445 124.438 122.820 0.288 0.000 2.309 134 A HA 0.583 4.907 4.320 0.007 0.000 0.298 134 A C -1.978 175.889 177.584 0.473 0.000 1.165 134 A CA -0.534 51.660 52.037 0.261 0.000 0.821 134 A CB 0.325 19.416 19.000 0.152 0.000 1.102 134 A HN 0.955 nan 8.150 nan 0.000 0.500 135 Y N 3.723 124.197 120.300 0.290 0.000 2.686 135 Y HA 0.483 5.037 4.550 0.007 0.000 0.331 135 Y C -0.847 175.233 175.900 0.301 0.000 0.996 135 Y CA -0.600 57.708 58.100 0.347 0.000 1.293 135 Y CB 0.657 39.347 38.460 0.383 0.000 1.092 135 Y HN 0.545 nan 8.280 nan 0.000 0.524 136 L N 7.552 128.744 121.223 -0.051 0.000 2.325 136 L HA 0.225 4.569 4.340 0.007 0.000 0.284 136 L C -0.644 176.069 176.870 -0.262 0.000 1.089 136 L CA -0.568 54.193 54.840 -0.132 0.000 0.836 136 L CB -0.354 41.660 42.059 -0.075 0.000 1.184 136 L HN 0.586 nan 8.230 nan 0.000 0.444 137 Y N 0.422 120.575 120.300 -0.245 0.000 2.587 137 Y HA 0.749 5.303 4.550 0.007 0.000 0.337 137 Y C -0.821 175.038 175.900 -0.070 0.000 1.065 137 Y CA -1.545 56.429 58.100 -0.209 0.000 1.126 137 Y CB 1.321 39.747 38.460 -0.057 0.000 1.279 137 Y HN 0.321 nan 8.280 nan 0.000 0.489 138 D N 0.357 120.825 120.400 0.112 0.000 2.629 138 D HA 0.216 4.860 4.640 0.007 0.000 0.250 138 D C 0.030 176.414 176.300 0.140 0.000 1.126 138 D CA -0.478 53.554 54.000 0.054 0.000 0.852 138 D CB 1.894 42.709 40.800 0.025 0.000 1.335 138 D HN 0.683 nan 8.370 nan 0.000 0.518 139 S N 1.959 117.736 115.700 0.129 0.000 2.727 139 S HA -0.051 4.423 4.470 0.007 0.000 0.226 139 S C 0.834 175.446 174.600 0.021 0.000 0.963 139 S CA 0.055 58.323 58.200 0.114 0.000 0.950 139 S CB 0.095 63.367 63.200 0.120 0.000 0.779 139 S HN 0.336 nan 8.310 nan 0.000 0.532 140 D N 2.589 122.995 120.400 0.009 0.000 2.123 140 D HA 0.004 4.649 4.640 0.007 0.000 0.200 140 D C 1.596 177.815 176.300 -0.136 0.000 0.976 140 D CA 1.010 55.003 54.000 -0.011 0.000 0.831 140 D CB -0.093 40.725 40.800 0.030 0.000 0.974 140 D HN 0.478 nan 8.370 nan 0.000 0.469 141 R N 0.134 120.501 120.500 -0.221 0.000 2.515 141 R HA 0.430 4.774 4.340 0.007 0.000 0.294 141 R C 0.444 176.313 176.300 -0.717 0.000 1.021 141 R CA 0.072 55.808 56.100 -0.607 0.000 1.081 141 R CB 0.680 30.844 30.300 -0.226 0.000 1.263 141 R HN 0.067 nan 8.270 nan 0.000 0.557 142 G N 0.777 109.321 108.800 -0.426 0.000 2.728 142 G HA2 -0.210 3.754 3.960 0.007 0.000 0.686 142 G HA3 -0.210 3.754 3.960 0.007 0.000 0.686 142 G C -0.125 174.715 174.900 -0.100 0.000 1.337 142 G CA -1.025 43.932 45.100 -0.239 0.000 0.861 142 G HN 0.118 nan 8.290 nan 0.000 0.597 143 L N 2.363 123.557 121.223 -0.049 0.000 2.718 143 L HA 0.175 4.519 4.340 0.007 0.000 0.242 143 L C 2.410 179.258 176.870 -0.037 0.000 1.203 143 L CA 1.512 56.322 54.840 -0.050 0.000 1.011 143 L CB -0.802 41.209 42.059 -0.080 0.000 1.250 143 L HN 0.779 nan 8.230 nan 0.000 0.437 144 S N 0.714 116.404 115.700 -0.016 0.000 2.368 144 S HA -0.165 4.309 4.470 0.007 0.000 0.225 144 S C 2.070 176.674 174.600 0.007 0.000 1.030 144 S CA 2.153 60.359 58.200 0.009 0.000 0.999 144 S CB 0.152 63.378 63.200 0.043 0.000 0.844 144 S HN 0.672 nan 8.310 nan 0.000 0.459 145 T N -0.031 114.537 114.554 0.023 0.000 2.985 145 T HA 0.059 4.414 4.350 0.007 0.000 0.266 145 T C 1.750 176.441 174.700 -0.014 0.000 1.076 145 T CA 0.958 63.080 62.100 0.036 0.000 1.135 145 T CB -0.484 68.447 68.868 0.106 0.000 0.890 145 T HN 0.285 nan 8.240 nan 0.000 0.480 146 L N 1.425 122.636 121.223 -0.020 0.000 2.017 146 L HA 0.010 4.354 4.340 0.007 0.000 0.208 146 L C 2.642 179.403 176.870 -0.183 0.000 1.073 146 L CA 1.745 56.482 54.840 -0.171 0.000 0.745 146 L CB -0.946 40.963 42.059 -0.249 0.000 0.894 146 L HN 0.252 nan 8.230 nan 0.000 0.432 147 Q N -0.567 119.168 119.800 -0.108 0.000 2.170 147 Q HA -0.180 4.164 4.340 0.007 0.000 0.203 147 Q C 2.235 178.202 176.000 -0.054 0.000 0.976 147 Q CA 1.501 57.260 55.803 -0.073 0.000 0.858 147 Q CB -0.384 28.328 28.738 -0.043 0.000 0.907 147 Q HN 0.711 nan 8.270 nan 0.000 0.433 148 A N 0.899 123.692 122.820 -0.046 0.000 1.858 148 A HA -0.176 4.149 4.320 0.007 0.000 0.216 148 A C 2.363 179.951 177.584 0.007 0.000 1.190 148 A CA 1.922 53.950 52.037 -0.016 0.000 0.617 148 A CB -0.993 18.003 19.000 -0.006 0.000 0.827 148 A HN 0.341 nan 8.150 nan 0.000 0.443 149 V N -2.131 117.764 119.914 -0.030 0.000 2.548 149 V HA -0.102 4.022 4.120 0.007 0.000 0.249 149 V C 2.233 178.391 176.094 0.107 0.000 1.055 149 V CA 1.703 64.056 62.300 0.088 0.000 1.065 149 V CB -0.875 30.895 31.823 -0.088 0.000 0.681 149 V HN 0.442 nan 8.190 nan 0.000 0.462 150 L N 0.198 121.407 121.223 -0.023 0.000 2.072 150 L HA -0.066 4.279 4.340 0.007 0.000 0.205 150 L C 2.602 179.462 176.870 -0.016 0.000 1.079 150 L CA 1.917 56.746 54.840 -0.018 0.000 0.752 150 L CB -0.758 41.267 42.059 -0.057 0.000 0.906 150 L HN 0.298 nan 8.230 nan 0.000 0.436 151 D N -0.408 119.975 120.400 -0.028 0.000 2.144 151 D HA -0.130 4.514 4.640 0.007 0.000 0.200 151 D C 2.349 178.603 176.300 -0.077 0.000 0.978 151 D CA 1.197 55.171 54.000 -0.043 0.000 0.833 151 D CB -0.056 40.723 40.800 -0.034 0.000 0.961 151 D HN 0.103 nan 8.370 nan 0.000 0.470 152 S N 0.230 115.885 115.700 -0.075 0.000 2.453 152 S HA -0.008 4.466 4.470 0.007 0.000 0.231 152 S C 2.002 176.344 174.600 -0.431 0.000 1.005 152 S CA 0.683 58.755 58.200 -0.214 0.000 0.949 152 S CB -0.003 63.121 63.200 -0.127 0.000 0.774 152 S HN 0.342 nan 8.310 nan 0.000 0.510 153 A N 1.300 124.023 122.820 -0.163 0.000 2.067 153 A HA 0.219 4.544 4.320 0.007 0.000 0.219 153 A C 2.222 179.700 177.584 -0.177 0.000 1.158 153 A CA 1.388 53.364 52.037 -0.102 0.000 0.661 153 A CB -0.662 18.417 19.000 0.132 0.000 0.801 153 A HN 0.495 nan 8.150 nan 0.000 0.452 154 A N -0.704 122.024 122.820 -0.153 0.000 1.898 154 A HA 0.210 4.534 4.320 0.007 0.000 0.214 154 A C 2.135 179.621 177.584 -0.163 0.000 1.183 154 A CA 1.923 53.886 52.037 -0.123 0.000 0.622 154 A CB -0.830 18.119 19.000 -0.085 0.000 0.824 154 A HN 0.632 nan 8.150 nan 0.000 0.444 155 E N -0.474 119.599 120.200 -0.212 0.000 2.016 155 E HA -0.064 4.291 4.350 0.007 0.000 0.190 155 E C 2.189 178.621 176.600 -0.280 0.000 0.985 155 E CA 2.094 58.370 56.400 -0.207 0.000 0.802 155 E CB -1.149 28.440 29.700 -0.185 0.000 0.762 155 E HN 0.772 nan 8.360 nan 0.000 0.448 156 K N -0.571 119.526 120.400 -0.504 0.000 2.555 156 K HA 0.424 4.748 4.320 0.007 0.000 0.193 156 K C 1.494 177.767 176.600 -0.545 0.000 1.032 156 K CA 1.822 57.733 56.287 -0.627 0.000 1.004 156 K CB -1.442 30.344 32.500 -1.191 0.000 0.804 156 K HN 1.551 nan 8.250 nan 0.000 0.496 157 K N -0.064 120.098 120.400 -0.398 0.000 4.361 157 K HA -0.092 4.233 4.320 0.007 0.000 0.294 157 K C -0.526 176.082 176.600 0.014 0.000 0.970 157 K CA 1.212 57.407 56.287 -0.153 0.000 0.913 157 K CB -2.799 29.666 32.500 -0.057 0.000 1.583 157 K HN 0.634 nan 8.250 nan 0.000 0.438 158 W N 0.313 121.620 121.300 0.010 0.000 2.639 158 W HA 0.531 5.195 4.660 0.006 0.000 0.347 158 W C 0.846 177.297 176.519 -0.114 0.000 1.067 158 W CA -1.119 56.213 57.345 -0.022 0.000 1.218 158 W CB 1.602 31.074 29.460 0.020 0.000 1.393 158 W HN 0.559 nan 8.180 nan 0.000 0.557 159 Q N 1.728 121.566 119.800 0.063 0.000 2.730 159 Q HA 0.297 4.642 4.340 0.007 0.000 0.244 159 Q C -0.327 175.535 176.000 -0.229 0.000 1.176 159 Q CA -0.365 55.402 55.803 -0.060 0.000 1.024 159 Q CB 0.969 29.682 28.738 -0.042 0.000 1.215 159 Q HN 0.062 nan 8.270 nan 0.000 0.542 160 V N 1.618 121.380 119.914 -0.254 0.000 2.530 160 V HA 0.148 4.273 4.120 0.007 0.000 0.282 160 V C 0.561 176.579 176.094 -0.126 0.000 1.048 160 V CA -0.073 62.004 62.300 -0.373 0.000 0.997 160 V CB 1.493 33.155 31.823 -0.269 0.000 0.987 160 V HN 0.522 nan 8.190 nan 0.000 0.477 161 T N 4.810 119.327 114.554 -0.062 0.000 3.262 161 T HA 0.495 4.849 4.350 0.007 0.000 0.374 161 T C 0.294 175.082 174.700 0.147 0.000 1.504 161 T CA -0.151 61.969 62.100 0.034 0.000 1.158 161 T CB 0.528 69.406 68.868 0.017 0.000 1.157 161 T HN 0.872 nan 8.240 nan 0.000 0.644 162 A N 3.804 126.743 122.820 0.199 0.000 2.409 162 A HA 0.680 5.005 4.320 0.007 0.000 0.262 162 A C 0.004 177.794 177.584 0.343 0.000 1.113 162 A CA -0.287 51.983 52.037 0.389 0.000 0.790 162 A CB -0.103 19.112 19.000 0.359 0.000 1.046 162 A HN 0.838 nan 8.150 nan 0.000 0.496 163 I N 2.585 123.328 120.570 0.288 0.000 2.500 163 I HA 0.141 4.315 4.170 0.007 0.000 0.286 163 I C -0.368 175.444 176.117 -0.508 0.000 1.063 163 I CA -0.794 60.490 61.300 -0.026 0.000 1.062 163 I CB 1.983 39.930 38.000 -0.089 0.000 1.223 163 I HN 0.648 nan 8.210 nan 0.000 0.435 164 N N 5.552 123.856 118.700 -0.660 0.000 2.406 164 N HA 0.013 4.757 4.740 0.007 0.000 0.269 164 N C 0.279 175.482 175.510 -0.513 0.000 1.210 164 N CA 0.336 52.798 53.050 -0.979 0.000 0.966 164 N CB 1.142 39.367 38.487 -0.437 0.000 1.293 164 N HN 0.480 nan 8.380 nan 0.000 0.491 165 V N 3.506 123.126 119.914 -0.489 0.000 3.563 165 V HA 0.245 4.369 4.120 0.007 0.000 0.299 165 V C 1.437 177.407 176.094 -0.207 0.000 1.290 165 V CA 0.853 62.969 62.300 -0.306 0.000 1.201 165 V CB -0.543 31.142 31.823 -0.231 0.000 1.045 165 V HN 0.721 nan 8.190 nan 0.000 0.425 166 G N 0.469 109.148 108.800 -0.201 0.000 2.497 166 G HA2 -0.101 3.863 3.960 0.007 0.000 0.210 166 G HA3 -0.101 3.863 3.960 0.007 0.000 0.210 166 G C 0.991 175.848 174.900 -0.072 0.000 1.177 166 G CA 0.180 45.219 45.100 -0.101 0.000 0.822 166 G HN 0.539 nan 8.290 nan 0.000 0.550 167 N N 1.008 119.659 118.700 -0.081 0.000 2.551 167 N HA 0.086 4.830 4.740 0.007 0.000 0.199 167 N C 0.258 175.731 175.510 -0.060 0.000 1.277 167 N CA 0.036 53.054 53.050 -0.053 0.000 0.870 167 N CB -0.170 38.291 38.487 -0.043 0.000 1.028 167 N HN 0.325 nan 8.380 nan 0.000 0.452 168 I N 2.146 122.667 120.570 -0.081 0.000 2.421 168 I HA -0.037 4.138 4.170 0.007 0.000 0.291 168 I C 0.076 176.177 176.117 -0.027 0.000 1.089 168 I CA -0.687 60.563 61.300 -0.083 0.000 1.354 168 I CB -0.076 37.834 38.000 -0.149 0.000 1.413 168 I HN 0.127 nan 8.210 nan 0.000 0.513 169 N N 6.309 124.999 118.700 -0.017 0.000 2.440 169 N HA -0.067 4.678 4.740 0.007 0.000 0.265 169 N C 0.202 175.727 175.510 0.025 0.000 1.239 169 N CA -0.000 53.052 53.050 0.004 0.000 0.909 169 N CB 0.330 38.819 38.487 0.003 0.000 1.066 169 N HN 0.400 nan 8.380 nan 0.000 0.474 170 N N 1.482 120.201 118.700 0.032 0.000 2.494 170 N HA -0.067 4.677 4.740 0.007 0.000 0.182 170 N C -0.549 174.985 175.510 0.041 0.000 1.076 170 N CA 0.575 53.654 53.050 0.048 0.000 0.908 170 N CB 0.042 38.554 38.487 0.043 0.000 0.967 170 N HN 0.660 nan 8.380 nan 0.000 0.449 171 D N -0.133 120.285 120.400 0.029 0.000 2.538 171 D HA 0.272 4.917 4.640 0.007 0.000 0.234 171 D C 0.767 177.083 176.300 0.026 0.000 1.191 171 D CA 0.205 54.220 54.000 0.024 0.000 0.828 171 D CB -0.011 40.799 40.800 0.017 0.000 0.981 171 D HN 0.226 nan 8.370 nan 0.000 0.490 172 K N -1.424 118.998 120.400 0.036 0.000 2.902 172 K HA 0.171 4.496 4.320 0.007 0.000 0.098 172 K C 0.376 177.011 176.600 0.059 0.000 1.214 172 K CA 0.120 56.430 56.287 0.039 0.000 0.980 172 K CB -1.725 30.791 32.500 0.026 0.000 1.265 172 K HN 0.185 nan 8.250 nan 0.000 0.336 173 K N 1.362 121.815 120.400 0.087 0.000 2.155 173 K HA 0.534 4.858 4.320 0.007 0.000 0.240 173 K C 0.312 177.061 176.600 0.249 0.000 1.193 173 K CA 0.568 56.947 56.287 0.153 0.000 1.104 173 K CB -0.310 32.312 32.500 0.203 0.000 1.558 173 K HN 0.442 nan 8.250 nan 0.000 0.313 174 D N 0.071 120.583 120.400 0.187 0.000 2.119 174 D HA 0.067 4.712 4.640 0.007 0.000 0.311 174 D C 1.966 178.363 176.300 0.160 0.000 1.155 174 D CA 1.008 55.120 54.000 0.186 0.000 1.036 174 D CB 0.436 41.291 40.800 0.092 0.000 1.855 174 D HN 0.450 nan 8.370 nan 0.000 0.523 175 E N 0.276 120.536 120.200 0.100 0.000 2.472 175 E HA -0.049 4.306 4.350 0.007 0.000 0.200 175 E C 1.705 178.344 176.600 0.064 0.000 1.046 175 E CA 1.727 58.171 56.400 0.074 0.000 0.871 175 E CB -1.150 28.577 29.700 0.046 0.000 0.806 175 E HN 0.502 nan 8.360 nan 0.000 0.533 176 T N -3.192 111.399 114.554 0.060 0.000 2.983 176 T HA 0.001 4.355 4.350 0.007 0.000 0.250 176 T C 1.911 176.584 174.700 -0.044 0.000 1.037 176 T CA 1.007 63.089 62.100 -0.030 0.000 1.142 176 T CB -0.478 68.320 68.868 -0.116 0.000 0.876 176 T HN 0.456 nan 8.240 nan 0.000 0.455 177 Y N 2.141 122.487 120.300 0.076 0.000 2.242 177 Y HA 0.093 4.647 4.550 0.007 0.000 0.291 177 Y C 3.462 179.513 175.900 0.251 0.000 1.137 177 Y CA 1.344 59.544 58.100 0.167 0.000 1.181 177 Y CB -0.527 38.048 38.460 0.193 0.000 0.989 177 Y HN 0.278 nan 8.280 nan 0.000 0.527 178 R N -0.419 120.261 120.500 0.300 0.000 2.096 178 R HA -0.100 4.245 4.340 0.007 0.000 0.235 178 R C 2.280 178.685 176.300 0.175 0.000 1.127 178 R CA 1.677 57.908 56.100 0.219 0.000 0.968 178 R CB -1.552 28.828 30.300 0.133 0.000 0.861 178 R HN 0.297 nan 8.270 nan 0.000 0.440 179 S N -0.541 115.227 115.700 0.113 0.000 2.527 179 S HA 0.055 4.530 4.470 0.007 0.000 0.222 179 S C 1.774 176.391 174.600 0.028 0.000 0.985 179 S CA 0.747 58.983 58.200 0.060 0.000 0.921 179 S CB -0.169 63.045 63.200 0.023 0.000 0.772 179 S HN 0.482 nan 8.310 nan 0.000 0.529 180 L N 0.419 121.656 121.223 0.024 0.000 2.102 180 L HA 0.398 4.742 4.340 0.007 0.000 0.202 180 L C 1.291 178.075 176.870 -0.143 0.000 1.076 180 L CA 1.859 56.626 54.840 -0.122 0.000 0.761 180 L CB -0.794 41.107 42.059 -0.264 0.000 0.921 180 L HN 0.333 nan 8.230 nan 0.000 0.444 181 F N -0.147 119.850 119.950 0.077 0.000 2.811 181 F HA 0.092 4.623 4.527 0.007 0.000 0.301 181 F C 2.601 178.445 175.800 0.073 0.000 1.151 181 F CA 0.876 58.931 58.000 0.091 0.000 1.412 181 F CB -0.960 38.104 39.000 0.106 0.000 1.113 181 F HN 0.310 nan 8.300 nan 0.000 0.579 182 Q N 0.028 119.937 119.800 0.182 0.000 2.187 182 Q HA -0.108 4.236 4.340 0.007 0.000 0.199 182 Q C 1.548 177.593 176.000 0.076 0.000 0.957 182 Q CA 1.760 57.634 55.803 0.118 0.000 0.857 182 Q CB -0.609 28.182 28.738 0.087 0.000 0.929 182 Q HN 0.287 nan 8.270 nan 0.000 0.453 183 D N 0.151 120.577 120.400 0.043 0.000 2.249 183 D HA 0.040 4.684 4.640 0.007 0.000 0.205 183 D C 1.440 177.755 176.300 0.025 0.000 0.962 183 D CA 0.421 54.433 54.000 0.019 0.000 0.860 183 D CB 0.209 41.004 40.800 -0.009 0.000 0.955 183 D HN 0.484 nan 8.370 nan 0.000 0.505 184 L N 0.371 121.616 121.223 0.037 0.000 2.645 184 L HA 0.076 4.420 4.340 0.007 0.000 0.235 184 L C 1.549 178.487 176.870 0.114 0.000 1.150 184 L CA 0.365 55.242 54.840 0.062 0.000 0.911 184 L CB 0.152 42.244 42.059 0.054 0.000 1.077 184 L HN -0.143 nan 8.230 nan 0.000 0.438 185 E N -0.252 120.008 120.200 0.100 0.000 2.485 185 E HA 0.072 4.426 4.350 0.007 0.000 0.213 185 E C 1.939 178.571 176.600 0.053 0.000 0.923 185 E CA 0.123 56.580 56.400 0.095 0.000 1.054 185 E CB 0.232 30.002 29.700 0.117 0.000 1.077 185 E HN 0.291 nan 8.360 nan 0.000 0.509 186 L N 0.231 121.478 121.223 0.040 0.000 2.083 186 L HA -0.094 4.250 4.340 0.007 0.000 0.209 186 L C 2.283 179.160 176.870 0.011 0.000 1.083 186 L CA 1.936 56.790 54.840 0.023 0.000 0.752 186 L CB -0.379 41.690 42.059 0.018 0.000 0.899 186 L HN 0.142 nan 8.230 nan 0.000 0.433 187 K N -0.392 120.013 120.400 0.008 0.000 2.399 187 K HA 0.377 4.701 4.320 0.007 0.000 0.204 187 K C 1.021 177.611 176.600 -0.018 0.000 1.023 187 K CA 0.609 56.890 56.287 -0.009 0.000 1.127 187 K CB -0.270 32.220 32.500 -0.017 0.000 0.856 187 K HN 0.233 nan 8.250 nan 0.000 0.514 188 K N 2.150 122.550 120.400 -0.000 0.000 3.148 188 K HA -0.155 4.170 4.320 0.007 0.000 0.267 188 K C -0.170 176.405 176.600 -0.041 0.000 0.996 188 K CA 1.258 57.538 56.287 -0.011 0.000 0.737 188 K CB -2.741 29.736 32.500 -0.038 0.000 1.308 188 K HN 0.701 nan 8.250 nan 0.000 0.470 189 E N 0.531 120.730 120.200 -0.002 0.000 2.415 189 E HA 0.121 4.475 4.350 0.007 0.000 0.260 189 E C 0.962 177.543 176.600 -0.031 0.000 1.016 189 E CA -0.337 56.049 56.400 -0.023 0.000 0.924 189 E CB 0.761 30.478 29.700 0.029 0.000 0.961 189 E HN 0.451 nan 8.360 nan 0.000 0.459 190 R N 2.235 122.626 120.500 -0.182 0.000 2.476 190 R HA 0.153 4.497 4.340 0.007 0.000 0.276 190 R C 0.142 176.266 176.300 -0.292 0.000 0.941 190 R CA 0.028 55.937 56.100 -0.318 0.000 1.088 190 R CB 0.751 30.756 30.300 -0.491 0.000 1.216 190 R HN 0.278 nan 8.270 nan 0.000 0.533 191 R N 0.842 121.135 120.500 -0.345 0.000 2.371 191 R HA 0.451 4.795 4.340 0.007 0.000 0.312 191 R C -0.941 175.262 176.300 -0.161 0.000 0.980 191 R CA -0.375 55.396 56.100 -0.548 0.000 0.867 191 R CB 2.380 31.783 30.300 -1.494 0.000 1.163 191 R HN -0.231 nan 8.270 nan 0.000 0.492 192 V N 4.898 124.835 119.914 0.040 0.000 2.628 192 V HA 0.508 4.633 4.120 0.007 0.000 0.306 192 V C 0.049 176.409 176.094 0.443 0.000 1.045 192 V CA -0.794 61.674 62.300 0.280 0.000 0.905 192 V CB 2.339 34.373 31.823 0.351 0.000 0.997 192 V HN 0.632 nan 8.190 nan 0.000 0.436 193 I N 4.993 125.814 120.570 0.419 0.000 2.355 193 I HA 0.381 4.555 4.170 0.007 0.000 0.288 193 I C -0.602 175.616 176.117 0.168 0.000 0.999 193 I CA -0.367 61.132 61.300 0.333 0.000 1.163 193 I CB 1.439 39.672 38.000 0.388 0.000 1.316 193 I HN 0.342 nan 8.210 nan 0.000 0.454 194 L N 5.915 127.245 121.223 0.179 0.000 2.282 194 L HA 0.248 4.592 4.340 0.007 0.000 0.287 194 L C -0.201 176.695 176.870 0.044 0.000 1.075 194 L CA -0.198 54.695 54.840 0.090 0.000 0.839 194 L CB 0.446 42.582 42.059 0.130 0.000 1.219 194 L HN 0.543 nan 8.230 nan 0.000 0.434 195 D N 3.065 123.417 120.400 -0.080 0.000 2.557 195 D HA 0.342 4.987 4.640 0.007 0.000 0.236 195 D C -0.738 175.572 176.300 0.017 0.000 1.154 195 D CA -0.038 53.947 54.000 -0.026 0.000 0.985 195 D CB 0.231 40.972 40.800 -0.098 0.000 1.010 195 D HN 0.363 nan 8.370 nan 0.000 0.516 196 C N 0.898 120.231 119.300 0.054 0.000 3.318 196 C HA 0.916 5.381 4.460 0.007 0.000 0.329 196 C C 0.650 175.696 174.990 0.094 0.000 1.449 196 C CA -0.888 58.167 59.018 0.061 0.000 1.397 196 C CB 0.936 28.703 27.740 0.046 0.000 1.810 196 C HN 0.549 nan 8.230 nan 0.000 0.449 197 E N -0.234 120.021 120.200 0.093 0.000 2.369 197 E HA 0.505 4.860 4.350 0.007 0.000 0.255 197 E C 1.336 178.002 176.600 0.110 0.000 1.172 197 E CA 0.341 56.812 56.400 0.120 0.000 0.932 197 E CB 0.009 29.767 29.700 0.097 0.000 1.040 197 E HN 0.948 nan 8.360 nan 0.000 0.454 198 R N 0.150 120.727 120.500 0.130 0.000 2.200 198 R HA -0.126 4.218 4.340 0.007 0.000 0.234 198 R C 1.651 177.987 176.300 0.060 0.000 1.127 198 R CA 2.352 58.515 56.100 0.105 0.000 0.989 198 R CB -0.848 29.525 30.300 0.121 0.000 0.869 198 R HN 0.727 nan 8.270 nan 0.000 0.459 199 D N -0.306 120.127 120.400 0.055 0.000 2.202 199 D HA 0.065 4.709 4.640 0.007 0.000 0.214 199 D C 2.519 178.838 176.300 0.032 0.000 0.967 199 D CA 2.163 56.184 54.000 0.036 0.000 0.871 199 D CB -0.396 40.425 40.800 0.035 0.000 1.020 199 D HN 0.503 nan 8.370 nan 0.000 0.474 200 K N 1.062 121.489 120.400 0.044 0.000 2.281 200 K HA -0.049 4.276 4.320 0.007 0.000 0.203 200 K C 2.170 178.798 176.600 0.046 0.000 1.046 200 K CA 0.949 57.267 56.287 0.051 0.000 0.938 200 K CB -1.157 31.375 32.500 0.053 0.000 0.737 200 K HN 0.097 nan 8.250 nan 0.000 0.458 201 V N 1.944 121.880 119.914 0.035 0.000 2.323 201 V HA -0.227 3.897 4.120 0.007 0.000 0.244 201 V C 1.972 178.052 176.094 -0.025 0.000 1.041 201 V CA 1.740 64.050 62.300 0.017 0.000 1.025 201 V CB -0.475 31.364 31.823 0.027 0.000 0.656 201 V HN 0.614 nan 8.190 nan 0.000 0.451 202 N N 0.524 119.207 118.700 -0.029 0.000 2.166 202 N HA -0.158 4.586 4.740 0.007 0.000 0.186 202 N C 1.478 176.940 175.510 -0.080 0.000 1.019 202 N CA 1.553 54.567 53.050 -0.059 0.000 0.856 202 N CB -0.457 38.004 38.487 -0.043 0.000 0.993 202 N HN 0.474 nan 8.380 nan 0.000 0.426 203 D N 0.578 120.943 120.400 -0.058 0.000 2.097 203 D HA -0.056 4.588 4.640 0.007 0.000 0.195 203 D C 2.087 178.282 176.300 -0.174 0.000 0.989 203 D CA 0.615 54.558 54.000 -0.095 0.000 0.827 203 D CB -0.266 40.519 40.800 -0.025 0.000 0.966 203 D HN 0.291 nan 8.370 nan 0.000 0.456 204 I N 0.343 120.864 120.570 -0.082 0.000 2.202 204 I HA -0.213 3.962 4.170 0.007 0.000 0.242 204 I C 2.392 178.425 176.117 -0.141 0.000 1.091 204 I CA 0.575 61.844 61.300 -0.052 0.000 1.368 204 I CB -0.239 37.817 38.000 0.093 0.000 1.058 204 I HN -0.107 nan 8.210 nan 0.000 0.410 205 V N 0.996 120.812 119.914 -0.163 0.000 2.332 205 V HA -0.322 3.802 4.120 0.007 0.000 0.248 205 V C 2.092 178.038 176.094 -0.247 0.000 1.055 205 V CA 2.065 64.225 62.300 -0.233 0.000 1.038 205 V CB -0.694 31.010 31.823 -0.198 0.000 0.651 205 V HN 0.412 nan 8.190 nan 0.000 0.450 206 D N -0.747 119.524 120.400 -0.215 0.000 2.117 206 D HA -0.142 4.502 4.640 0.007 0.000 0.197 206 D C 2.394 178.542 176.300 -0.253 0.000 0.987 206 D CA 0.986 54.855 54.000 -0.217 0.000 0.829 206 D CB -0.257 40.437 40.800 -0.177 0.000 0.961 206 D HN 0.381 nan 8.370 nan 0.000 0.460 207 Q N 0.373 119.994 119.800 -0.299 0.000 2.084 207 Q HA -0.075 4.270 4.340 0.007 0.000 0.202 207 Q C 2.515 178.315 176.000 -0.335 0.000 0.978 207 Q CA 0.501 56.103 55.803 -0.334 0.000 0.844 207 Q CB -0.507 27.934 28.738 -0.496 0.000 0.898 207 Q HN 0.221 nan 8.270 nan 0.000 0.426 208 V N 1.442 121.155 119.914 -0.335 0.000 2.332 208 V HA -0.261 3.863 4.120 0.007 0.000 0.248 208 V C 2.314 178.237 176.094 -0.284 0.000 1.055 208 V CA 1.585 63.659 62.300 -0.377 0.000 1.038 208 V CB -0.548 31.065 31.823 -0.350 0.000 0.651 208 V HN 0.289 nan 8.190 nan 0.000 0.450 209 I N -0.363 120.011 120.570 -0.328 0.000 2.315 209 I HA -0.194 3.980 4.170 0.007 0.000 0.248 209 I C 2.489 178.483 176.117 -0.205 0.000 1.117 209 I CA 1.625 62.657 61.300 -0.446 0.000 1.404 209 I CB -0.782 36.867 38.000 -0.586 0.000 1.071 209 I HN 0.305 nan 8.210 nan 0.000 0.419 210 T N 2.248 116.684 114.554 -0.198 0.000 2.708 210 T HA -0.131 4.223 4.350 0.007 0.000 0.266 210 T C 1.846 176.481 174.700 -0.108 0.000 1.037 210 T CA 1.776 63.794 62.100 -0.136 0.000 1.146 210 T CB -0.348 68.434 68.868 -0.143 0.000 0.865 210 T HN 0.498 nan 8.240 nan 0.000 0.435 211 I N -0.766 119.706 120.570 -0.163 0.000 3.291 211 I HA 0.335 4.509 4.170 0.007 0.000 0.279 211 I C 1.618 177.668 176.117 -0.112 0.000 1.294 211 I CA 0.546 61.753 61.300 -0.154 0.000 1.428 211 I CB -0.845 36.995 38.000 -0.267 0.000 1.070 211 I HN 0.372 nan 8.210 nan 0.000 0.478 212 G N 2.203 110.974 108.800 -0.048 0.000 2.147 212 G HA2 -0.286 3.679 3.960 0.007 0.000 0.244 212 G HA3 -0.286 3.679 3.960 0.007 0.000 0.244 212 G C 0.400 175.242 174.900 -0.095 0.000 1.005 212 G CA 0.189 45.313 45.100 0.040 0.000 0.713 212 G HN 0.572 nan 8.290 nan 0.000 0.515 213 K N 0.200 120.455 120.400 -0.241 0.000 2.862 213 K HA 0.227 4.552 4.320 0.007 0.000 0.229 213 K C 1.122 177.416 176.600 -0.511 0.000 1.107 213 K CA 0.565 56.437 56.287 -0.692 0.000 1.222 213 K CB -0.165 31.864 32.500 -0.785 0.000 1.067 213 K HN 0.893 nan 8.250 nan 0.000 0.464 214 H N -2.809 116.118 119.070 -0.239 0.000 2.785 214 H HA 0.144 4.704 4.556 0.007 0.000 0.268 214 H C 0.372 175.742 175.328 0.069 0.000 1.153 214 H CA -0.770 55.264 56.048 -0.024 0.000 1.111 214 H CB -0.041 29.683 29.762 -0.064 0.000 1.633 214 H HN -0.031 nan 8.280 nan 0.000 0.576 215 V N -1.675 118.106 119.914 -0.223 0.000 3.403 215 V HA 0.235 4.359 4.120 0.007 0.000 0.305 215 V C 0.713 176.869 176.094 0.103 0.000 1.060 215 V CA -1.435 60.790 62.300 -0.125 0.000 1.053 215 V CB 1.244 32.998 31.823 -0.114 0.000 1.198 215 V HN 0.348 nan 8.190 nan 0.000 0.447 216 K N 0.381 120.814 120.400 0.055 0.000 2.511 216 K HA 0.376 4.700 4.320 0.007 0.000 0.280 216 K C 0.991 177.621 176.600 0.051 0.000 1.008 216 K CA 1.152 57.474 56.287 0.059 0.000 1.050 216 K CB -0.100 32.417 32.500 0.029 0.000 0.889 216 K HN 1.492 nan 8.250 nan 0.000 0.484 217 G N 3.021 111.827 108.800 0.011 0.000 2.428 217 G HA2 -0.208 3.757 3.960 0.007 0.000 0.199 217 G HA3 -0.208 3.757 3.960 0.007 0.000 0.199 217 G C -0.771 173.979 174.900 -0.250 0.000 1.005 217 G CA -0.394 44.625 45.100 -0.135 0.000 0.671 217 G HN 0.564 nan 8.290 nan 0.000 0.485 218 Y N 1.444 121.709 120.300 -0.058 0.000 2.376 218 Y HA 0.775 5.329 4.550 0.007 0.000 0.325 218 Y C 0.433 176.251 175.900 -0.136 0.000 1.199 218 Y CA -0.504 57.510 58.100 -0.143 0.000 1.206 218 Y CB 1.317 39.698 38.460 -0.131 0.000 1.229 218 Y HN 0.189 nan 8.280 nan 0.000 0.480 219 H N 2.918 121.864 119.070 -0.207 0.000 2.924 219 H HA 0.300 4.859 4.556 0.006 0.000 0.333 219 H C -1.890 173.376 175.328 -0.103 0.000 0.979 219 H CA -0.911 55.088 56.048 -0.082 0.000 1.326 219 H CB 0.542 30.320 29.762 0.027 0.000 1.600 219 H HN 0.675 nan 8.280 nan 0.000 0.520 220 Y N 4.282 124.713 120.300 0.218 0.000 2.420 220 Y HA 0.441 4.995 4.550 0.007 0.000 0.334 220 Y C 0.443 176.481 175.900 0.230 0.000 1.094 220 Y CA -0.773 57.487 58.100 0.266 0.000 1.126 220 Y CB 1.817 40.378 38.460 0.168 0.000 1.217 220 Y HN 0.414 nan 8.280 nan 0.000 0.462 221 I N 4.673 125.479 120.570 0.393 0.000 2.439 221 I HA 0.248 4.422 4.170 0.007 0.000 0.283 221 I C -1.051 175.213 176.117 0.246 0.000 1.023 221 I CA -0.693 60.738 61.300 0.217 0.000 1.100 221 I CB 1.166 39.207 38.000 0.069 0.000 1.238 221 I HN 0.399 nan 8.210 nan 0.000 0.445 222 I N 5.615 126.341 120.570 0.259 0.000 2.389 222 I HA 0.131 4.306 4.170 0.007 0.000 0.295 222 I C 1.153 177.467 176.117 0.328 0.000 1.117 222 I CA 0.086 61.552 61.300 0.277 0.000 1.317 222 I CB 0.644 38.838 38.000 0.324 0.000 1.431 222 I HN 0.588 nan 8.210 nan 0.000 0.521 223 A N 7.217 130.199 122.820 0.271 0.000 3.063 223 A HA 0.316 4.640 4.320 0.007 0.000 0.263 223 A C 0.356 178.026 177.584 0.143 0.000 1.736 223 A CA -0.288 51.904 52.037 0.258 0.000 1.408 223 A CB -1.028 18.086 19.000 0.190 0.000 1.108 223 A HN 0.828 nan 8.150 nan 0.000 0.621 224 N N -1.146 117.662 118.700 0.179 0.000 2.825 224 N HA 0.308 5.052 4.740 0.007 0.000 0.253 224 N C -0.381 175.085 175.510 -0.073 0.000 1.426 224 N CA -0.982 52.071 53.050 0.005 0.000 0.851 224 N CB 0.472 38.990 38.487 0.051 0.000 1.470 224 N HN -0.037 nan 8.380 nan 0.000 0.517 225 L N -0.889 120.047 121.223 -0.479 0.000 2.599 225 L HA 0.372 4.716 4.340 0.007 0.000 0.230 225 L C 0.868 177.533 176.870 -0.342 0.000 1.141 225 L CA 0.318 54.870 54.840 -0.481 0.000 0.877 225 L CB -0.168 41.466 42.059 -0.707 0.000 1.009 225 L HN 0.809 nan 8.230 nan 0.000 0.447 226 G N -1.313 107.376 108.800 -0.185 0.000 4.487 226 G HA2 0.138 4.103 3.960 0.007 0.000 0.339 226 G HA3 0.138 4.103 3.960 0.007 0.000 0.339 226 G C 0.133 175.165 174.900 0.221 0.000 1.482 226 G CA -0.379 44.827 45.100 0.176 0.000 1.069 226 G HN 0.029 nan 8.290 nan 0.000 0.515 227 F N 2.272 122.280 119.950 0.096 0.000 2.206 227 F HA -0.031 4.501 4.527 0.008 0.000 0.298 227 F C 2.525 178.371 175.800 0.077 0.000 1.090 227 F CA 1.999 60.045 58.000 0.077 0.000 1.323 227 F CB 0.317 39.346 39.000 0.049 0.000 1.028 227 F HN 0.336 nan 8.300 nan 0.000 0.492 228 T N -3.544 111.077 114.554 0.112 0.000 3.107 228 T HA 0.051 4.406 4.350 0.007 0.000 0.249 228 T C 1.153 175.864 174.700 0.019 0.000 1.096 228 T CA 0.496 62.596 62.100 -0.000 0.000 1.012 228 T CB -0.397 68.547 68.868 0.125 0.000 0.977 228 T HN 0.092 nan 8.240 nan 0.000 0.527 229 D N 1.933 122.381 120.400 0.081 0.000 2.224 229 D HA 0.159 4.804 4.640 0.007 0.000 0.205 229 D C 1.293 177.618 176.300 0.042 0.000 0.965 229 D CA 0.669 54.735 54.000 0.109 0.000 0.852 229 D CB -0.339 40.581 40.800 0.200 0.000 0.947 229 D HN 0.623 nan 8.370 nan 0.000 0.494 230 G N -0.336 108.449 108.800 -0.025 0.000 2.488 230 G HA2 0.260 4.224 3.960 0.007 0.000 0.318 230 G HA3 0.260 4.224 3.960 0.007 0.000 0.318 230 G C -0.827 174.014 174.900 -0.099 0.000 1.188 230 G CA -0.469 44.600 45.100 -0.052 0.000 0.944 230 G HN -0.148 nan 8.290 nan 0.000 0.495 231 D N -0.304 120.046 120.400 -0.083 0.000 2.339 231 D HA 0.210 4.854 4.640 0.007 0.000 0.256 231 D C 0.602 176.824 176.300 -0.130 0.000 1.214 231 D CA -0.348 53.599 54.000 -0.088 0.000 0.877 231 D CB 1.356 42.120 40.800 -0.060 0.000 1.111 231 D HN -0.011 nan 8.370 nan 0.000 0.478 232 L N 3.785 124.918 121.223 -0.150 0.000 2.701 232 L HA 0.223 4.568 4.340 0.007 0.000 0.238 232 L C 1.984 178.775 176.870 -0.132 0.000 1.106 232 L CA 0.131 54.863 54.840 -0.180 0.000 0.898 232 L CB -0.155 41.744 42.059 -0.266 0.000 1.188 232 L HN 0.534 nan 8.230 nan 0.000 0.508 233 L N 0.170 121.345 121.223 -0.080 0.000 2.261 233 L HA -0.244 4.101 4.340 0.007 0.000 0.216 233 L C 2.360 179.260 176.870 0.050 0.000 1.114 233 L CA 1.294 56.130 54.840 -0.006 0.000 0.777 233 L CB -0.420 41.674 42.059 0.059 0.000 0.910 233 L HN 0.418 nan 8.230 nan 0.000 0.440 234 K N 0.935 121.325 120.400 -0.018 0.000 2.044 234 K HA -0.066 4.258 4.320 0.007 0.000 0.204 234 K C 1.435 178.006 176.600 -0.048 0.000 1.045 234 K CA 1.093 57.363 56.287 -0.029 0.000 0.951 234 K CB -0.371 32.072 32.500 -0.095 0.000 0.738 234 K HN 0.298 nan 8.250 nan 0.000 0.443 235 I N -0.114 120.403 120.570 -0.087 0.000 3.864 235 I HA 0.172 4.346 4.170 0.007 0.000 0.326 235 I C 1.863 177.966 176.117 -0.024 0.000 1.444 235 I CA 0.102 61.378 61.300 -0.041 0.000 1.195 235 I CB 0.259 38.209 38.000 -0.083 0.000 1.124 235 I HN 0.163 nan 8.210 nan 0.000 0.407 236 Q N 0.917 120.650 119.800 -0.112 0.000 2.204 236 Q HA 0.096 4.440 4.340 0.007 0.000 0.198 236 Q C 0.993 176.749 176.000 -0.408 0.000 0.946 236 Q CA 1.208 56.810 55.803 -0.336 0.000 0.859 236 Q CB 0.087 28.461 28.738 -0.606 0.000 0.946 236 Q HN 0.584 nan 8.270 nan 0.000 0.474 237 F N -1.046 118.941 119.950 0.061 0.000 2.695 237 F HA 0.359 4.890 4.527 0.008 0.000 0.303 237 F C 1.749 177.603 175.800 0.090 0.000 1.091 237 F CA 0.216 58.253 58.000 0.063 0.000 1.300 237 F CB 0.195 39.223 39.000 0.046 0.000 1.071 237 F HN 0.120 nan 8.300 nan 0.000 0.578 238 G N 0.313 109.280 108.800 0.278 0.000 2.418 238 G HA2 0.176 4.140 3.960 0.007 0.000 0.217 238 G HA3 0.176 4.140 3.960 0.007 0.000 0.217 238 G C 1.750 176.678 174.900 0.047 0.000 1.158 238 G CA 1.162 46.415 45.100 0.255 0.000 0.771 238 G HN 0.575 nan 8.290 nan 0.000 0.545 239 G N -1.106 107.741 108.800 0.079 0.000 2.481 239 G HA2 0.209 4.173 3.960 0.007 0.000 0.200 239 G HA3 0.209 4.173 3.960 0.007 0.000 0.200 239 G C 0.604 175.542 174.900 0.064 0.000 1.012 239 G CA 0.368 45.499 45.100 0.053 0.000 0.676 239 G HN 1.372 nan 8.290 nan 0.000 0.488 240 A N 1.072 123.952 122.820 0.100 0.000 2.488 240 A HA 0.552 4.877 4.320 0.007 0.000 0.249 240 A C 0.381 178.009 177.584 0.073 0.000 1.083 240 A CA 0.347 52.469 52.037 0.141 0.000 0.768 240 A CB 0.073 19.244 19.000 0.286 0.000 1.017 240 A HN 0.468 nan 8.150 nan 0.000 0.496 241 E N 1.017 121.196 120.200 -0.035 0.000 2.344 241 E HA 0.355 4.710 4.350 0.007 0.000 0.270 241 E C -0.915 175.496 176.600 -0.314 0.000 1.021 241 E CA -0.086 56.195 56.400 -0.198 0.000 0.887 241 E CB 1.042 30.559 29.700 -0.305 0.000 0.997 241 E HN 0.362 nan 8.360 nan 0.000 0.429 242 V N 2.982 122.815 119.914 -0.134 0.000 2.487 242 V HA 0.282 4.406 4.120 0.007 0.000 0.298 242 V C -0.262 175.850 176.094 0.030 0.000 1.028 242 V CA -0.550 61.760 62.300 0.017 0.000 0.860 242 V CB 1.886 33.813 31.823 0.173 0.000 0.991 242 V HN 0.612 nan 8.190 nan 0.000 0.427 243 S N 2.126 117.814 115.700 -0.020 0.000 2.638 243 S HA 1.004 5.479 4.470 0.007 0.000 0.302 243 S C 0.227 174.627 174.600 -0.334 0.000 1.096 243 S CA -0.124 57.943 58.200 -0.222 0.000 0.953 243 S CB 2.195 65.337 63.200 -0.097 0.000 1.107 243 S HN 1.219 nan 8.310 nan 0.000 0.503 244 G N 0.034 108.299 108.800 -0.891 0.000 2.494 244 G HA2 0.624 4.589 3.960 0.007 0.000 0.308 244 G HA3 0.624 4.589 3.960 0.007 0.000 0.308 244 G C -2.303 171.986 174.900 -1.019 0.000 1.263 244 G CA -0.646 44.022 45.100 -0.720 0.000 0.840 244 G HN 0.453 nan 8.290 nan 0.000 0.479 245 F N -0.257 119.636 119.950 -0.094 0.000 2.556 245 F HA 0.736 5.267 4.527 0.007 0.000 0.314 245 F C -0.088 175.731 175.800 0.032 0.000 1.106 245 F CA -0.761 57.199 58.000 -0.066 0.000 0.911 245 F CB 2.883 41.837 39.000 -0.076 0.000 1.190 245 F HN 0.402 nan 8.300 nan 0.000 0.448 246 Q N 2.162 122.081 119.800 0.197 0.000 2.321 246 Q HA 0.491 4.836 4.340 0.007 0.000 0.270 246 Q C -0.527 175.549 176.000 0.127 0.000 1.032 246 Q CA -0.306 55.604 55.803 0.178 0.000 0.784 246 Q CB 1.885 30.742 28.738 0.198 0.000 1.264 246 Q HN 0.714 nan 8.270 nan 0.000 0.448 247 I N 3.421 124.040 120.570 0.081 0.000 3.265 247 I HA 0.219 4.393 4.170 0.007 0.000 0.282 247 I C -0.444 175.670 176.117 -0.004 0.000 1.207 247 I CA 0.496 61.826 61.300 0.050 0.000 1.449 247 I CB 1.072 39.088 38.000 0.028 0.000 1.121 247 I HN 0.474 nan 8.210 nan 0.000 0.442 248 V N 3.118 123.001 119.914 -0.052 0.000 2.284 248 V HA 0.196 4.320 4.120 0.007 0.000 0.260 248 V C -0.435 175.442 176.094 -0.362 0.000 1.084 248 V CA -0.683 61.465 62.300 -0.253 0.000 0.894 248 V CB 0.202 31.792 31.823 -0.388 0.000 1.119 248 V HN 0.136 nan 8.190 nan 0.000 0.484 249 D N 3.370 123.641 120.400 -0.216 0.000 2.344 249 D HA 0.098 4.743 4.640 0.007 0.000 0.253 249 D C 0.502 176.706 176.300 -0.160 0.000 1.255 249 D CA -0.007 53.927 54.000 -0.111 0.000 0.894 249 D CB 0.634 41.412 40.800 -0.037 0.000 1.067 249 D HN 0.527 nan 8.370 nan 0.000 0.492 250 Y N 1.520 121.840 120.300 0.033 0.000 2.578 250 Y HA 0.026 4.580 4.550 0.005 0.000 0.297 250 Y C 1.404 177.322 175.900 0.030 0.000 1.176 250 Y CA 0.027 58.145 58.100 0.031 0.000 1.315 250 Y CB 0.343 38.827 38.460 0.040 0.000 1.031 250 Y HN 0.342 nan 8.280 nan 0.000 0.524 251 D N -0.862 119.613 120.400 0.126 0.000 2.354 251 D HA -0.021 4.623 4.640 0.007 0.000 0.209 251 D C -0.168 176.160 176.300 0.046 0.000 1.015 251 D CA 0.465 54.516 54.000 0.084 0.000 0.867 251 D CB 0.002 40.843 40.800 0.069 0.000 0.933 251 D HN 0.166 nan 8.370 nan 0.000 0.520 252 D N 0.006 120.420 120.400 0.023 0.000 2.390 252 D HA -0.000 4.644 4.640 0.007 0.000 0.249 252 D C 1.466 177.779 176.300 0.023 0.000 1.144 252 D CA 0.082 54.086 54.000 0.007 0.000 0.880 252 D CB 1.413 42.200 40.800 -0.021 0.000 1.182 252 D HN -0.051 nan 8.370 nan 0.000 0.451 253 S N 2.477 118.191 115.700 0.023 0.000 2.419 253 S HA -0.195 4.279 4.470 0.007 0.000 0.235 253 S C 1.926 176.549 174.600 0.038 0.000 1.019 253 S CA 0.431 58.650 58.200 0.031 0.000 0.982 253 S CB -0.247 62.968 63.200 0.024 0.000 0.789 253 S HN 0.564 nan 8.310 nan 0.000 0.490 254 L N 1.103 122.344 121.223 0.030 0.000 2.005 254 L HA -0.038 4.306 4.340 0.007 0.000 0.207 254 L C 2.465 179.365 176.870 0.049 0.000 1.072 254 L CA 1.380 56.245 54.840 0.042 0.000 0.744 254 L CB -0.332 41.745 42.059 0.031 0.000 0.895 254 L HN 0.236 nan 8.230 nan 0.000 0.433 255 V N -1.195 118.724 119.914 0.008 0.000 2.427 255 V HA -0.245 3.880 4.120 0.007 0.000 0.248 255 V C 2.683 178.839 176.094 0.103 0.000 1.051 255 V CA 1.748 64.043 62.300 -0.009 0.000 1.048 255 V CB -0.320 31.424 31.823 -0.130 0.000 0.666 255 V HN 0.537 nan 8.190 nan 0.000 0.456 256 S N 0.256 116.013 115.700 0.094 0.000 2.383 256 S HA -0.255 4.220 4.470 0.007 0.000 0.229 256 S C 2.249 176.908 174.600 0.098 0.000 1.030 256 S CA 2.267 60.535 58.200 0.113 0.000 1.002 256 S CB -0.292 62.958 63.200 0.083 0.000 0.829 256 S HN 0.677 nan 8.310 nan 0.000 0.467 257 K N 0.405 120.857 120.400 0.087 0.000 2.103 257 K HA 0.061 4.385 4.320 0.007 0.000 0.204 257 K C 1.792 178.435 176.600 0.073 0.000 1.052 257 K CA 1.437 57.763 56.287 0.065 0.000 0.945 257 K CB -1.339 31.195 32.500 0.056 0.000 0.722 257 K HN 0.608 nan 8.250 nan 0.000 0.443 258 F N 0.864 120.788 119.950 -0.044 0.000 2.102 258 F HA -0.076 4.455 4.527 0.006 0.000 0.298 258 F C 1.890 177.682 175.800 -0.013 0.000 1.105 258 F CA 1.360 59.307 58.000 -0.089 0.000 1.239 258 F CB -0.070 38.798 39.000 -0.220 0.000 0.991 258 F HN 0.074 nan 8.300 nan 0.000 0.474 259 I N 1.662 122.313 120.570 0.135 0.000 2.286 259 I HA -0.195 3.979 4.170 0.007 0.000 0.248 259 I C 2.798 178.924 176.117 0.016 0.000 1.115 259 I CA 1.830 63.198 61.300 0.112 0.000 1.392 259 I CB -1.602 36.521 38.000 0.206 0.000 1.065 259 I HN 0.348 nan 8.210 nan 0.000 0.418 260 E N 0.753 120.950 120.200 -0.005 0.000 2.130 260 E HA -0.272 4.082 4.350 0.007 0.000 0.196 260 E C 2.533 179.077 176.600 -0.093 0.000 0.998 260 E CA 2.239 58.617 56.400 -0.036 0.000 0.806 260 E CB -1.092 28.595 29.700 -0.021 0.000 0.738 260 E HN 0.603 nan 8.360 nan 0.000 0.459 261 R N -0.712 119.699 120.500 -0.148 0.000 2.175 261 R HA 0.169 4.513 4.340 0.007 0.000 0.202 261 R C 2.114 178.254 176.300 -0.267 0.000 1.018 261 R CA 1.020 56.998 56.100 -0.203 0.000 1.029 261 R CB -1.189 28.980 30.300 -0.219 0.000 0.959 261 R HN 0.764 nan 8.270 nan 0.000 0.480 262 W N 2.059 123.039 121.300 -0.532 0.000 2.379 262 W HA -0.197 4.468 4.660 0.008 0.000 0.307 262 W C 1.764 178.084 176.519 -0.331 0.000 1.200 262 W CA 2.410 59.438 57.345 -0.528 0.000 1.297 262 W CB -0.340 28.722 29.460 -0.663 0.000 1.140 262 W HN 0.434 nan 8.180 nan 0.000 0.507 263 S N -0.015 115.623 115.700 -0.105 0.000 2.469 263 S HA -0.199 4.276 4.470 0.007 0.000 0.238 263 S C 1.596 175.864 174.600 -0.553 0.000 0.998 263 S CA 1.848 59.895 58.200 -0.254 0.000 0.957 263 S CB -0.998 62.133 63.200 -0.116 0.000 0.764 263 S HN 0.356 nan 8.310 nan 0.000 0.514 264 T N -0.475 113.849 114.554 -0.384 0.000 3.037 264 T HA 0.362 4.716 4.350 0.007 0.000 0.252 264 T C 0.712 175.295 174.700 -0.195 0.000 1.073 264 T CA -0.448 61.479 62.100 -0.290 0.000 1.091 264 T CB -0.643 68.128 68.868 -0.161 0.000 0.935 264 T HN 0.322 nan 8.240 nan 0.000 0.488 265 L N 2.258 123.298 121.223 -0.305 0.000 2.529 265 L HA 0.106 4.450 4.340 0.007 0.000 0.287 265 L C 0.826 177.678 176.870 -0.030 0.000 1.241 265 L CA 0.011 54.685 54.840 -0.277 0.000 0.857 265 L CB 0.153 41.834 42.059 -0.629 0.000 1.113 265 L HN 0.408 nan 8.230 nan 0.000 0.504 266 E N 2.387 122.616 120.200 0.048 0.000 2.351 266 E HA -0.083 4.272 4.350 0.007 0.000 0.266 266 E C 0.687 177.339 176.600 0.086 0.000 1.031 266 E CA -0.055 56.395 56.400 0.083 0.000 0.911 266 E CB 0.677 30.419 29.700 0.071 0.000 0.986 266 E HN 0.575 nan 8.360 nan 0.000 0.446 267 E N 3.355 123.565 120.200 0.018 0.000 2.347 267 E HA -0.195 4.159 4.350 0.007 0.000 0.196 267 E C 1.855 178.455 176.600 0.001 0.000 1.008 267 E CA 1.238 57.642 56.400 0.006 0.000 0.852 267 E CB 0.141 29.815 29.700 -0.043 0.000 0.783 267 E HN 0.571 nan 8.360 nan 0.000 0.505 268 K N 0.577 120.969 120.400 -0.013 0.000 2.007 268 K HA -0.095 4.230 4.320 0.007 0.000 0.206 268 K C 2.086 178.661 176.600 -0.042 0.000 1.047 268 K CA 1.685 57.956 56.287 -0.026 0.000 0.937 268 K CB -1.430 31.050 32.500 -0.032 0.000 0.718 268 K HN 0.344 nan 8.250 nan 0.000 0.438 269 E N -0.516 119.649 120.200 -0.058 0.000 2.112 269 E HA 0.091 4.445 4.350 0.007 0.000 0.190 269 E C 0.397 176.785 176.600 -0.353 0.000 0.979 269 E CA 0.773 57.048 56.400 -0.208 0.000 0.814 269 E CB -0.239 29.306 29.700 -0.258 0.000 0.762 269 E HN 0.750 nan 8.360 nan 0.000 0.460 270 Y N 1.094 121.360 120.300 -0.058 0.000 2.854 270 Y HA 0.324 4.879 4.550 0.008 0.000 0.330 270 Y C -2.323 173.536 175.900 -0.070 0.000 1.037 270 Y CA -3.341 54.711 58.100 -0.081 0.000 1.263 270 Y CB 1.399 39.733 38.460 -0.211 0.000 1.120 270 Y HN 0.056 nan 8.280 nan 0.000 0.532 271 P HA -0.027 nan 4.420 nan 0.000 0.262 271 P C 0.804 178.176 177.300 0.121 0.000 1.182 271 P CA 0.903 64.055 63.100 0.086 0.000 0.761 271 P CB 0.908 32.661 31.700 0.088 0.000 0.795 272 G N 2.810 111.673 108.800 0.104 0.000 2.366 272 G HA2 -0.102 3.863 3.960 0.007 0.000 0.299 272 G HA3 -0.102 3.863 3.960 0.007 0.000 0.299 272 G C 0.669 175.686 174.900 0.195 0.000 1.020 272 G CA 0.208 45.398 45.100 0.150 0.000 1.026 272 G HN 0.815 nan 8.290 nan 0.000 0.512 273 A N -0.916 121.903 122.820 -0.002 0.000 2.585 273 A HA 0.521 4.846 4.320 0.007 0.000 0.266 273 A C 0.600 177.849 177.584 -0.559 0.000 1.178 273 A CA 0.667 52.421 52.037 -0.472 0.000 0.966 273 A CB 0.407 18.807 19.000 -1.000 0.000 1.170 273 A HN 0.760 nan 8.150 nan 0.000 0.558 274 H N 1.793 120.733 119.070 -0.216 0.000 2.540 274 H HA 0.397 4.958 4.556 0.008 0.000 0.264 274 H C 0.260 175.581 175.328 -0.013 0.000 1.427 274 H CA 0.837 56.793 56.048 -0.153 0.000 1.103 274 H CB -0.130 29.573 29.762 -0.099 0.000 1.572 274 H HN 0.365 nan 8.280 nan 0.000 0.511 275 T N -3.614 110.987 114.554 0.077 0.000 2.887 275 T HA 0.571 4.926 4.350 0.007 0.000 0.292 275 T C 1.029 175.841 174.700 0.187 0.000 1.087 275 T CA -0.473 61.717 62.100 0.150 0.000 1.009 275 T CB 1.522 70.518 68.868 0.213 0.000 1.203 275 T HN 0.101 nan 8.240 nan 0.000 0.518 276 A N 0.570 123.452 122.820 0.102 0.000 2.218 276 A HA 0.413 4.738 4.320 0.007 0.000 0.209 276 A C 1.291 178.904 177.584 0.047 0.000 1.168 276 A CA 0.847 52.923 52.037 0.066 0.000 0.804 276 A CB -0.851 18.142 19.000 -0.012 0.000 0.834 276 A HN 1.175 nan 8.150 nan 0.000 0.482 277 T N -3.137 111.465 114.554 0.079 0.000 2.910 277 T HA 0.719 5.073 4.350 0.007 0.000 0.287 277 T C -0.575 174.243 174.700 0.198 0.000 1.050 277 T CA -0.775 61.368 62.100 0.071 0.000 1.011 277 T CB 1.646 70.485 68.868 -0.049 0.000 1.195 277 T HN 0.462 nan 8.240 nan 0.000 0.540 278 I N -0.480 120.231 120.570 0.235 0.000 2.680 278 I HA 0.624 4.799 4.170 0.007 0.000 0.291 278 I C -0.264 175.928 176.117 0.126 0.000 1.244 278 I CA -0.910 60.439 61.300 0.082 0.000 1.042 278 I CB 1.520 39.386 38.000 -0.224 0.000 1.277 278 I HN 1.125 nan 8.210 nan 0.000 0.423 279 K N 5.135 125.601 120.400 0.110 0.000 2.436 279 K HA 0.033 4.357 4.320 0.007 0.000 0.275 279 K C 0.243 176.884 176.600 0.068 0.000 0.999 279 K CA 0.860 57.212 56.287 0.107 0.000 0.980 279 K CB -0.378 32.150 32.500 0.048 0.000 0.919 279 K HN 0.777 nan 8.250 nan 0.000 0.484 280 Y N 0.642 120.989 120.300 0.079 0.000 2.333 280 Y HA -0.207 4.347 4.550 0.008 0.000 0.290 280 Y C 2.278 178.227 175.900 0.082 0.000 1.144 280 Y CA 1.802 59.935 58.100 0.056 0.000 1.228 280 Y CB -1.027 37.474 38.460 0.069 0.000 0.985 280 Y HN 0.662 nan 8.280 nan 0.000 0.542 281 T N -2.556 111.628 114.554 -0.617 0.000 2.777 281 T HA -0.161 4.194 4.350 0.007 0.000 0.266 281 T C 1.885 176.609 174.700 0.040 0.000 1.040 281 T CA 1.451 63.361 62.100 -0.317 0.000 1.141 281 T CB -0.895 67.768 68.868 -0.341 0.000 0.868 281 T HN 0.416 nan 8.240 nan 0.000 0.444 282 S N 1.856 117.581 115.700 0.042 0.000 2.371 282 S HA 0.224 4.698 4.470 0.007 0.000 0.224 282 S C 2.649 177.305 174.600 0.092 0.000 1.029 282 S CA 0.776 59.064 58.200 0.147 0.000 0.978 282 S CB -0.772 62.501 63.200 0.121 0.000 0.833 282 S HN 0.753 nan 8.310 nan 0.000 0.466 283 A N 1.502 124.311 122.820 -0.018 0.000 1.933 283 A HA 0.011 4.335 4.320 0.007 0.000 0.218 283 A C 2.064 179.667 177.584 0.032 0.000 1.175 283 A CA 1.072 53.049 52.037 -0.101 0.000 0.628 283 A CB -0.674 18.237 19.000 -0.149 0.000 0.814 283 A HN 0.454 nan 8.150 nan 0.000 0.444 284 L N -0.898 120.382 121.223 0.094 0.000 2.156 284 L HA -0.124 4.221 4.340 0.007 0.000 0.208 284 L C 2.716 179.692 176.870 0.177 0.000 1.095 284 L CA 1.549 56.465 54.840 0.126 0.000 0.770 284 L CB -0.805 41.338 42.059 0.139 0.000 0.914 284 L HN 0.338 nan 8.230 nan 0.000 0.439 285 T N -1.079 113.636 114.554 0.268 0.000 2.746 285 T HA -0.271 4.083 4.350 0.007 0.000 0.267 285 T C 1.693 176.495 174.700 0.170 0.000 1.039 285 T CA 1.580 63.889 62.100 0.348 0.000 1.142 285 T CB -0.387 68.835 68.868 0.591 0.000 0.866 285 T HN 0.344 nan 8.240 nan 0.000 0.444 286 Y N 2.185 122.529 120.300 0.073 0.000 2.181 286 Y HA -0.166 4.388 4.550 0.007 0.000 0.288 286 Y C 1.978 177.866 175.900 -0.020 0.000 1.146 286 Y CA 1.483 59.605 58.100 0.037 0.000 1.164 286 Y CB -0.289 38.147 38.460 -0.040 0.000 0.982 286 Y HN 0.116 nan 8.280 nan 0.000 0.515 287 D N 0.112 120.537 120.400 0.043 0.000 2.264 287 D HA -0.097 4.547 4.640 0.007 0.000 0.208 287 D C 2.188 178.393 176.300 -0.158 0.000 0.966 287 D CA 1.102 55.056 54.000 -0.077 0.000 0.864 287 D CB -0.351 40.464 40.800 0.025 0.000 0.933 287 D HN 0.520 nan 8.370 nan 0.000 0.499 288 A N 0.528 123.281 122.820 -0.111 0.000 1.898 288 A HA -0.117 4.208 4.320 0.007 0.000 0.216 288 A C 2.482 179.902 177.584 -0.274 0.000 1.181 288 A CA 0.965 52.925 52.037 -0.129 0.000 0.620 288 A CB -0.658 18.285 19.000 -0.096 0.000 0.819 288 A HN 0.134 nan 8.150 nan 0.000 0.442 289 V N 0.184 119.866 119.914 -0.386 0.000 2.332 289 V HA -0.340 3.785 4.120 0.007 0.000 0.248 289 V C 2.726 178.493 176.094 -0.546 0.000 1.055 289 V CA 2.367 64.409 62.300 -0.429 0.000 1.038 289 V CB -0.876 30.684 31.823 -0.439 0.000 0.651 289 V HN 0.787 nan 8.190 nan 0.000 0.450 290 Q N -0.292 118.981 119.800 -0.879 0.000 2.124 290 Q HA -0.174 4.171 4.340 0.007 0.000 0.202 290 Q C 2.203 177.890 176.000 -0.521 0.000 0.977 290 Q CA 1.971 57.059 55.803 -1.192 0.000 0.850 290 Q CB -0.039 27.869 28.738 -1.382 0.000 0.901 290 Q HN 0.538 nan 8.270 nan 0.000 0.429 291 V N 0.770 120.497 119.914 -0.311 0.000 2.358 291 V HA -0.274 3.850 4.120 0.007 0.000 0.246 291 V C 2.276 178.291 176.094 -0.131 0.000 1.047 291 V CA 1.854 64.071 62.300 -0.138 0.000 1.035 291 V CB -0.468 31.335 31.823 -0.033 0.000 0.658 291 V HN 0.451 nan 8.190 nan 0.000 0.452 292 M N -0.572 118.942 119.600 -0.143 0.000 2.229 292 M HA -0.127 4.357 4.480 0.007 0.000 0.264 292 M C 2.205 178.478 176.300 -0.044 0.000 1.063 292 M CA 1.752 57.002 55.300 -0.082 0.000 1.114 292 M CB -0.720 31.846 32.600 -0.056 0.000 1.387 292 M HN 0.331 nan 8.290 nan 0.000 0.420 293 T N -0.099 114.417 114.554 -0.064 0.000 2.701 293 T HA -0.148 4.206 4.350 0.007 0.000 0.263 293 T C 1.689 176.457 174.700 0.114 0.000 1.040 293 T CA 1.578 63.728 62.100 0.082 0.000 1.147 293 T CB -0.203 68.657 68.868 -0.013 0.000 0.865 293 T HN 0.323 nan 8.240 nan 0.000 0.426 294 E N 1.334 121.530 120.200 -0.006 0.000 2.204 294 E HA -0.017 4.337 4.350 0.007 0.000 0.195 294 E C 2.037 178.636 176.600 -0.002 0.000 0.990 294 E CA 1.141 57.549 56.400 0.013 0.000 0.821 294 E CB -0.401 29.284 29.700 -0.025 0.000 0.750 294 E HN 0.453 nan 8.360 nan 0.000 0.477 295 A N -0.003 122.794 122.820 -0.038 0.000 1.872 295 A HA 0.006 4.330 4.320 0.007 0.000 0.214 295 A C 2.544 180.066 177.584 -0.104 0.000 1.187 295 A CA 1.723 53.720 52.037 -0.066 0.000 0.614 295 A CB -1.275 17.677 19.000 -0.080 0.000 0.826 295 A HN 0.443 nan 8.150 nan 0.000 0.442 296 F N -0.300 119.559 119.950 -0.152 0.000 2.502 296 F HA 0.203 4.735 4.527 0.007 0.000 0.298 296 F C 2.869 178.386 175.800 -0.471 0.000 1.111 296 F CA 2.025 59.817 58.000 -0.348 0.000 1.445 296 F CB -1.388 37.316 39.000 -0.494 0.000 1.081 296 F HN 0.568 nan 8.300 nan 0.000 0.558 297 R N 0.319 120.705 120.500 -0.190 0.000 2.100 297 R HA -0.053 4.291 4.340 0.007 0.000 0.220 297 R C 1.775 178.064 176.300 -0.019 0.000 1.091 297 R CA 1.280 57.385 56.100 0.007 0.000 0.986 297 R CB -1.768 28.698 30.300 0.277 0.000 0.888 297 R HN 0.599 nan 8.270 nan 0.000 0.444 298 N N 0.456 119.136 118.700 -0.033 0.000 2.512 298 N HA -0.019 4.726 4.740 0.007 0.000 0.183 298 N C 1.073 176.551 175.510 -0.053 0.000 1.073 298 N CA 0.692 53.725 53.050 -0.028 0.000 0.911 298 N CB 0.248 38.721 38.487 -0.023 0.000 0.964 298 N HN 0.255 nan 8.380 nan 0.000 0.447 299 L N 0.618 121.784 121.223 -0.095 0.000 2.249 299 L HA 0.089 4.434 4.340 0.007 0.000 0.207 299 L C 2.685 179.498 176.870 -0.095 0.000 1.090 299 L CA 0.937 55.717 54.840 -0.100 0.000 0.802 299 L CB -0.868 41.110 42.059 -0.135 0.000 0.947 299 L HN 0.111 nan 8.230 nan 0.000 0.453 300 R N 0.483 120.916 120.500 -0.113 0.000 2.073 300 R HA -0.029 4.316 4.340 0.007 0.000 0.229 300 R C 2.304 178.589 176.300 -0.025 0.000 1.120 300 R CA 1.678 57.733 56.100 -0.074 0.000 0.967 300 R CB -1.547 28.712 30.300 -0.068 0.000 0.862 300 R HN 0.409 nan 8.270 nan 0.000 0.436 301 K N -0.182 120.211 120.400 -0.011 0.000 2.439 301 K HA 0.132 4.456 4.320 0.007 0.000 0.197 301 K C 2.232 178.828 176.600 -0.006 0.000 1.041 301 K CA 1.550 57.839 56.287 0.003 0.000 0.970 301 K CB -0.806 31.703 32.500 0.015 0.000 0.773 301 K HN 0.774 nan 8.250 nan 0.000 0.479 302 Q N -1.244 118.545 119.800 -0.018 0.000 2.319 302 Q HA 0.440 4.784 4.340 0.007 0.000 0.202 302 Q C 1.293 177.282 176.000 -0.017 0.000 0.896 302 Q CA 1.347 57.140 55.803 -0.018 0.000 0.942 302 Q CB -0.662 28.061 28.738 -0.024 0.000 1.083 302 Q HN 1.509 nan 8.270 nan 0.000 0.510 303 R N -0.186 120.303 120.500 -0.018 0.000 3.267 303 R HA -0.112 4.232 4.340 0.007 0.000 0.254 303 R C -0.026 176.264 176.300 -0.017 0.000 0.993 303 R CA 1.330 57.422 56.100 -0.014 0.000 0.670 303 R CB -3.042 27.254 30.300 -0.007 0.000 1.125 303 R HN 0.858 nan 8.270 nan 0.000 0.434 304 I N 0.911 121.465 120.570 -0.027 0.000 2.382 304 I HA 0.532 4.707 4.170 0.007 0.000 0.285 304 I C 0.900 177.002 176.117 -0.025 0.000 1.007 304 I CA -0.288 60.996 61.300 -0.026 0.000 1.142 304 I CB 1.953 39.932 38.000 -0.035 0.000 1.289 304 I HN 0.669 nan 8.210 nan 0.000 0.453 305 E N 7.467 127.663 120.200 -0.006 0.000 2.259 305 E HA 0.395 4.749 4.350 0.007 0.000 0.281 305 E C 0.305 176.925 176.600 0.034 0.000 1.037 305 E CA -0.333 56.073 56.400 0.010 0.000 0.854 305 E CB 0.993 30.706 29.700 0.021 0.000 1.051 305 E HN 0.781 nan 8.360 nan 0.000 0.409 306 I N -0.856 119.749 120.570 0.058 0.000 4.442 306 I HA 0.302 4.477 4.170 0.007 0.000 0.331 306 I C 0.961 177.258 176.117 0.301 0.000 1.364 306 I CA -0.278 61.105 61.300 0.139 0.000 1.207 306 I CB 0.864 38.923 38.000 0.098 0.000 1.298 306 I HN 0.321 nan 8.210 nan 0.000 0.463 307 S N 2.934 118.767 115.700 0.221 0.000 2.575 307 S HA 0.314 4.789 4.470 0.007 0.000 0.295 307 S C 0.906 175.661 174.600 0.258 0.000 1.267 307 S CA 0.301 58.670 58.200 0.282 0.000 1.074 307 S CB 0.091 63.381 63.200 0.149 0.000 0.829 307 S HN 0.632 nan 8.310 nan 0.000 0.497 308 R N 2.560 123.206 120.500 0.243 0.000 2.623 308 R HA 0.463 4.808 4.340 0.007 0.000 0.271 308 R C 1.543 177.863 176.300 0.033 0.000 1.043 308 R CA 0.715 56.862 56.100 0.078 0.000 1.083 308 R CB -0.999 29.186 30.300 -0.191 0.000 0.974 308 R HN 1.025 nan 8.270 nan 0.000 0.436 309 R N 0.348 120.861 120.500 0.022 0.000 2.193 309 R HA 0.335 4.679 4.340 0.007 0.000 0.213 309 R C 1.416 177.696 176.300 -0.034 0.000 1.055 309 R CA 1.738 57.842 56.100 0.007 0.000 0.995 309 R CB -0.581 29.730 30.300 0.019 0.000 0.893 309 R HN 1.997 nan 8.270 nan 0.000 0.459 310 G N -1.365 107.384 108.800 -0.085 0.000 2.341 310 G HA2 0.285 4.249 3.960 0.007 0.000 0.299 310 G HA3 0.285 4.249 3.960 0.007 0.000 0.299 310 G C -1.772 173.011 174.900 -0.194 0.000 1.274 310 G CA -0.518 44.514 45.100 -0.113 0.000 0.853 310 G HN 0.281 nan 8.290 nan 0.000 0.493 311 N N 0.362 118.949 118.700 -0.189 0.000 2.407 311 N HA 0.339 5.083 4.740 0.007 0.000 0.250 311 N C 1.301 176.618 175.510 -0.321 0.000 1.236 311 N CA 0.603 53.499 53.050 -0.256 0.000 0.879 311 N CB 1.522 39.894 38.487 -0.191 0.000 1.088 311 N HN 0.815 nan 8.380 nan 0.000 0.450 312 A N 1.274 123.794 122.820 -0.501 0.000 2.072 312 A HA 0.346 4.670 4.320 0.007 0.000 0.216 312 A C 1.097 178.468 177.584 -0.355 0.000 1.156 312 A CA 1.187 52.845 52.037 -0.633 0.000 0.701 312 A CB -0.824 17.348 19.000 -1.379 0.000 0.816 312 A HN 0.997 nan 8.150 nan 0.000 0.458 313 G N -0.696 107.944 108.800 -0.267 0.000 2.728 313 G HA2 -0.063 3.901 3.960 0.007 0.000 0.294 313 G HA3 -0.063 3.901 3.960 0.007 0.000 0.294 313 G C -0.793 174.116 174.900 0.015 0.000 1.342 313 G CA -0.123 44.922 45.100 -0.093 0.000 0.866 313 G HN 0.448 nan 8.290 nan 0.000 0.534 314 D N -0.062 120.375 120.400 0.062 0.000 2.389 314 D HA 0.320 4.964 4.640 0.007 0.000 0.247 314 D C 2.034 178.454 176.300 0.201 0.000 1.128 314 D CA 0.138 54.206 54.000 0.114 0.000 0.884 314 D CB 0.657 41.499 40.800 0.070 0.000 1.194 314 D HN 1.036 nan 8.370 nan 0.000 0.441 315 c N 3.138 121.884 118.600 0.244 0.000 2.432 315 c HA 0.029 4.603 4.570 0.007 0.000 0.282 315 c C 2.322 176.496 174.090 0.141 0.000 1.388 315 c CA -0.221 56.215 56.329 0.178 0.000 1.777 315 c CB -1.261 41.348 42.510 0.165 0.000 1.882 315 c HN 0.639 nan 8.230 nan 0.000 0.520 316 L N 1.543 122.848 121.223 0.136 0.000 2.627 316 L HA 0.214 4.558 4.340 0.007 0.000 0.233 316 L C 1.704 178.607 176.870 0.055 0.000 1.144 316 L CA 0.005 54.901 54.840 0.094 0.000 0.892 316 L CB -0.807 41.309 42.059 0.095 0.000 1.039 316 L HN 0.327 nan 8.230 nan 0.000 0.442 317 A N 1.270 124.128 122.820 0.063 0.000 2.566 317 A HA 0.022 4.346 4.320 0.007 0.000 0.245 317 A C 0.200 177.797 177.584 0.023 0.000 1.056 317 A CA 0.415 52.480 52.037 0.046 0.000 0.757 317 A CB -0.154 18.882 19.000 0.061 0.000 0.979 317 A HN 0.349 nan 8.150 nan 0.000 0.508 318 N N 2.689 121.398 118.700 0.015 0.000 2.399 318 N HA 0.552 5.297 4.740 0.007 0.000 0.284 318 N C -2.789 172.724 175.510 0.005 0.000 1.025 318 N CA -1.243 51.810 53.050 0.004 0.000 0.885 318 N CB 1.257 39.744 38.487 0.000 0.000 1.339 318 N HN 0.474 nan 8.380 nan 0.000 0.487 319 P HA 0.348 nan 4.420 nan 0.000 0.275 319 P C -1.012 176.288 177.300 0.001 0.000 1.228 319 P CA -0.564 62.535 63.100 -0.003 0.000 0.786 319 P CB 0.577 32.275 31.700 -0.003 0.000 0.927 320 A N 2.046 124.861 122.820 -0.009 0.000 2.347 320 A HA 0.384 4.708 4.320 0.007 0.000 0.287 320 A C -0.172 177.414 177.584 0.003 0.000 1.199 320 A CA -0.467 51.569 52.037 -0.003 0.000 0.851 320 A CB 0.066 19.045 19.000 -0.035 0.000 1.118 320 A HN 0.490 nan 8.150 nan 0.000 0.525 321 V N 6.017 125.946 119.914 0.026 0.000 2.347 321 V HA 0.530 4.654 4.120 0.007 0.000 0.280 321 V C -2.387 173.734 176.094 0.046 0.000 1.021 321 V CA -1.975 60.338 62.300 0.021 0.000 0.847 321 V CB 1.225 33.065 31.823 0.027 0.000 0.990 321 V HN 0.812 nan 8.190 nan 0.000 0.444 322 P HA 0.233 nan 4.420 nan 0.000 0.276 322 P C -0.706 176.596 177.300 0.002 0.000 1.243 322 P CA -0.198 62.846 63.100 -0.094 0.000 0.768 322 P CB 0.254 31.539 31.700 -0.692 0.000 0.856 323 W N 3.016 124.264 121.300 -0.087 0.000 2.368 323 W HA 0.327 4.991 4.660 0.007 0.000 0.316 323 W C 0.710 177.214 176.519 -0.026 0.000 1.375 323 W CA -0.955 56.369 57.345 -0.034 0.000 1.261 323 W CB -0.886 28.585 29.460 0.019 0.000 1.298 323 W HN 0.612 nan 8.180 nan 0.000 0.539 324 G N 2.041 110.811 108.800 -0.050 0.000 2.499 324 G HA2 -0.321 3.643 3.960 0.007 0.000 0.221 324 G HA3 -0.321 3.643 3.960 0.007 0.000 0.221 324 G C 1.511 176.285 174.900 -0.211 0.000 1.109 324 G CA 1.587 46.617 45.100 -0.117 0.000 0.749 324 G HN 0.752 nan 8.290 nan 0.000 0.568 325 Q N 0.242 119.849 119.800 -0.322 0.000 2.364 325 Q HA 0.181 4.526 4.340 0.007 0.000 0.207 325 Q C 2.629 178.199 176.000 -0.716 0.000 0.970 325 Q CA 1.714 57.268 55.803 -0.415 0.000 0.888 325 Q CB -0.852 27.755 28.738 -0.217 0.000 0.951 325 Q HN 0.534 nan 8.270 nan 0.000 0.469 326 G N -0.255 107.915 108.800 -1.051 0.000 2.421 326 G HA2 -0.024 3.941 3.960 0.007 0.000 0.217 326 G HA3 -0.024 3.941 3.960 0.007 0.000 0.217 326 G C 1.674 176.603 174.900 0.048 0.000 1.143 326 G CA 0.990 45.716 45.100 -0.624 0.000 0.784 326 G HN 0.483 nan 8.290 nan 0.000 0.541 327 V N 0.871 120.844 119.914 0.100 0.000 2.490 327 V HA -0.128 3.996 4.120 0.007 0.000 0.250 327 V C 2.702 178.788 176.094 -0.013 0.000 1.061 327 V CA 1.804 64.196 62.300 0.154 0.000 1.064 327 V CB -0.227 31.683 31.823 0.145 0.000 0.670 327 V HN 0.305 nan 8.190 nan 0.000 0.461 328 E N -0.037 120.132 120.200 -0.051 0.000 2.112 328 E HA -0.026 4.328 4.350 0.007 0.000 0.190 328 E C 2.185 178.747 176.600 -0.063 0.000 0.979 328 E CA 0.929 57.291 56.400 -0.062 0.000 0.814 328 E CB -0.126 29.535 29.700 -0.064 0.000 0.762 328 E HN 0.579 nan 8.360 nan 0.000 0.460 329 I N 1.200 121.739 120.570 -0.052 0.000 2.361 329 I HA -0.231 3.943 4.170 0.007 0.000 0.251 329 I C 2.595 178.697 176.117 -0.026 0.000 1.133 329 I CA 1.072 62.363 61.300 -0.015 0.000 1.413 329 I CB -0.228 37.802 38.000 0.050 0.000 1.073 329 I HN 0.123 nan 8.210 nan 0.000 0.424 330 E N 1.654 121.823 120.200 -0.053 0.000 2.046 330 E HA -0.239 4.115 4.350 0.007 0.000 0.190 330 E C 2.573 179.069 176.600 -0.174 0.000 0.982 330 E CA 1.482 57.782 56.400 -0.168 0.000 0.800 330 E CB 0.024 29.445 29.700 -0.465 0.000 0.756 330 E HN 0.407 nan 8.360 nan 0.000 0.449 331 R N 0.454 120.865 120.500 -0.148 0.000 2.293 331 R HA 0.066 4.410 4.340 0.007 0.000 0.219 331 R C 1.987 178.233 176.300 -0.089 0.000 1.091 331 R CA 1.481 57.513 56.100 -0.114 0.000 1.004 331 R CB -1.043 29.203 30.300 -0.090 0.000 0.865 331 R HN 0.381 nan 8.270 nan 0.000 0.469 332 A N 0.584 123.350 122.820 -0.089 0.000 1.850 332 A HA 0.208 4.533 4.320 0.007 0.000 0.212 332 A C 2.397 179.922 177.584 -0.098 0.000 1.208 332 A CA 1.000 52.990 52.037 -0.079 0.000 0.609 332 A CB -0.159 18.796 19.000 -0.075 0.000 0.860 332 A HN 0.382 nan 8.150 nan 0.000 0.448 333 L N -0.019 121.124 121.223 -0.132 0.000 2.042 333 L HA -0.206 4.139 4.340 0.007 0.000 0.210 333 L C 3.121 179.797 176.870 -0.323 0.000 1.076 333 L CA 1.943 56.654 54.840 -0.214 0.000 0.749 333 L CB -0.528 41.396 42.059 -0.225 0.000 0.893 333 L HN 0.485 nan 8.230 nan 0.000 0.432 334 K N -0.166 120.078 120.400 -0.260 0.000 2.365 334 K HA -0.034 4.290 4.320 0.007 0.000 0.199 334 K C 2.009 178.605 176.600 -0.006 0.000 1.045 334 K CA 1.470 57.638 56.287 -0.199 0.000 0.962 334 K CB -1.276 31.146 32.500 -0.130 0.000 0.759 334 K HN 0.550 nan 8.250 nan 0.000 0.469 335 Q N -0.139 119.648 119.800 -0.022 0.000 2.408 335 Q HA 0.400 4.745 4.340 0.007 0.000 0.205 335 Q C 1.192 177.231 176.000 0.064 0.000 0.919 335 Q CA 0.536 56.355 55.803 0.027 0.000 0.932 335 Q CB -0.373 28.361 28.738 -0.007 0.000 1.058 335 Q HN 0.441 nan 8.270 nan 0.000 0.517 336 V N 1.767 121.721 119.914 0.066 0.000 2.763 336 V HA 0.164 4.288 4.120 0.007 0.000 0.306 336 V C 0.180 176.383 176.094 0.181 0.000 1.059 336 V CA 0.593 62.951 62.300 0.097 0.000 1.138 336 V CB 1.232 33.095 31.823 0.067 0.000 0.940 336 V HN 0.744 nan 8.190 nan 0.000 0.489 337 Q N 3.344 123.204 119.800 0.101 0.000 3.025 337 Q HA 0.531 4.875 4.340 0.007 0.000 0.216 337 Q C -1.218 174.802 176.000 0.033 0.000 0.828 337 Q CA -0.324 55.520 55.803 0.068 0.000 0.806 337 Q CB 1.698 30.463 28.738 0.046 0.000 1.423 337 Q HN 0.755 nan 8.270 nan 0.000 0.455 338 V N -0.514 119.415 119.914 0.024 0.000 3.145 338 V HA 0.740 4.864 4.120 0.007 0.000 0.311 338 V C -0.812 175.284 176.094 0.004 0.000 1.238 338 V CA -1.015 61.291 62.300 0.010 0.000 1.066 338 V CB 2.103 33.921 31.823 -0.008 0.000 1.144 338 V HN 0.573 nan 8.190 nan 0.000 0.465 339 E N -0.020 120.191 120.200 0.019 0.000 2.151 339 E HA 0.726 5.081 4.350 0.007 0.000 0.275 339 E C -0.024 176.604 176.600 0.046 0.000 0.936 339 E CA 0.441 56.854 56.400 0.021 0.000 0.777 339 E CB 1.188 30.904 29.700 0.026 0.000 1.108 339 E HN 1.187 nan 8.360 nan 0.000 0.401 340 G N 2.636 111.453 108.800 0.029 0.000 3.176 340 G HA2 0.244 4.209 3.960 0.007 0.000 0.272 340 G HA3 0.244 4.209 3.960 0.007 0.000 0.272 340 G C 0.394 175.295 174.900 0.002 0.000 1.349 340 G CA -0.691 44.443 45.100 0.057 0.000 0.953 340 G HN 0.542 nan 8.290 nan 0.000 0.559 341 L N 0.311 121.511 121.223 -0.039 0.000 2.131 341 L HA -0.013 4.331 4.340 0.007 0.000 0.210 341 L C 2.236 179.026 176.870 -0.134 0.000 1.092 341 L CA 1.611 56.345 54.840 -0.176 0.000 0.759 341 L CB -0.252 41.585 42.059 -0.371 0.000 0.903 341 L HN 0.499 nan 8.230 nan 0.000 0.435 342 S N -0.252 115.406 115.700 -0.070 0.000 2.596 342 S HA 0.470 4.945 4.470 0.007 0.000 0.248 342 S C 0.836 175.423 174.600 -0.021 0.000 1.162 342 S CA -0.109 58.066 58.200 -0.041 0.000 1.185 342 S CB -0.309 62.883 63.200 -0.013 0.000 0.833 342 S HN 0.547 nan 8.310 nan 0.000 0.472 343 G N 2.229 111.011 108.800 -0.031 0.000 2.645 343 G HA2 -0.305 3.659 3.960 0.007 0.000 0.246 343 G HA3 -0.305 3.659 3.960 0.007 0.000 0.246 343 G C -0.352 174.538 174.900 -0.018 0.000 1.322 343 G CA -0.297 44.792 45.100 -0.019 0.000 0.898 343 G HN 0.762 nan 8.290 nan 0.000 0.573 344 N N 0.358 119.048 118.700 -0.017 0.000 2.452 344 N HA 0.309 5.053 4.740 0.007 0.000 0.266 344 N C 0.350 175.830 175.510 -0.050 0.000 1.209 344 N CA 0.116 53.149 53.050 -0.028 0.000 0.929 344 N CB -0.126 38.341 38.487 -0.033 0.000 1.063 344 N HN 0.544 nan 8.380 nan 0.000 0.472 345 I N 2.144 122.665 120.570 -0.082 0.000 2.312 345 I HA 0.412 4.586 4.170 0.007 0.000 0.290 345 I C 0.587 176.547 176.117 -0.261 0.000 1.008 345 I CA -0.506 60.680 61.300 -0.191 0.000 1.226 345 I CB 0.716 38.642 38.000 -0.123 0.000 1.371 345 I HN 0.510 nan 8.210 nan 0.000 0.468 346 K N 5.900 126.026 120.400 -0.456 0.000 2.512 346 K HA 0.876 5.200 4.320 0.007 0.000 0.263 346 K C -1.602 174.616 176.600 -0.637 0.000 0.966 346 K CA -0.500 55.572 56.287 -0.358 0.000 0.851 346 K CB 1.965 34.396 32.500 -0.116 0.000 1.395 346 K HN 0.385 nan 8.250 nan 0.000 0.440 347 F N 0.757 120.724 119.950 0.029 0.000 2.620 347 F HA 0.584 5.117 4.527 0.009 0.000 0.320 347 F C 0.333 176.145 175.800 0.021 0.000 1.069 347 F CA -0.701 57.316 58.000 0.028 0.000 0.953 347 F CB 2.417 41.423 39.000 0.009 0.000 1.322 347 F HN 0.813 nan 8.300 nan 0.000 0.479 348 D N -0.272 120.259 120.400 0.219 0.000 2.588 348 D HA 0.382 5.027 4.640 0.007 0.000 0.268 348 D C 0.932 177.283 176.300 0.085 0.000 1.176 348 D CA -0.217 53.854 54.000 0.118 0.000 1.080 348 D CB -0.194 40.659 40.800 0.089 0.000 1.186 348 D HN 0.555 nan 8.370 nan 0.000 0.619 349 Q N -0.512 119.310 119.800 0.036 0.000 2.291 349 Q HA -0.124 4.220 4.340 0.007 0.000 0.206 349 Q C 1.379 177.364 176.000 -0.024 0.000 0.976 349 Q CA 1.732 57.531 55.803 -0.007 0.000 0.875 349 Q CB -1.046 27.681 28.738 -0.019 0.000 0.927 349 Q HN 0.488 nan 8.270 nan 0.000 0.450 350 N N -1.347 117.360 118.700 0.013 0.000 2.349 350 N HA 0.239 4.984 4.740 0.007 0.000 0.180 350 N C 1.492 177.023 175.510 0.035 0.000 1.024 350 N CA 1.717 54.774 53.050 0.011 0.000 0.869 350 N CB 0.834 39.339 38.487 0.031 0.000 1.022 350 N HN 0.657 nan 8.380 nan 0.000 0.433 351 G N -1.520 107.337 108.800 0.096 0.000 2.672 351 G HA2 -0.061 3.903 3.960 0.007 0.000 0.197 351 G HA3 -0.061 3.903 3.960 0.007 0.000 0.197 351 G C 0.204 175.269 174.900 0.274 0.000 0.995 351 G CA 0.194 45.379 45.100 0.142 0.000 0.754 351 G HN 0.621 nan 8.290 nan 0.000 0.505 352 K N 1.647 122.169 120.400 0.204 0.000 2.350 352 K HA 0.680 5.004 4.320 0.007 0.000 0.279 352 K C 0.641 177.341 176.600 0.168 0.000 1.027 352 K CA -0.105 56.288 56.287 0.177 0.000 0.969 352 K CB 0.073 32.655 32.500 0.137 0.000 0.954 352 K HN 0.554 nan 8.250 nan 0.000 0.474 353 R N 0.718 121.255 120.500 0.063 0.000 2.643 353 R HA 0.433 4.778 4.340 0.007 0.000 0.270 353 R C 0.556 176.931 176.300 0.125 0.000 1.061 353 R CA 0.192 56.231 56.100 -0.102 0.000 1.107 353 R CB 0.018 30.153 30.300 -0.275 0.000 0.999 353 R HN 0.835 nan 8.270 nan 0.000 0.460 354 I N -1.669 118.974 120.570 0.120 0.000 3.174 354 I HA 0.360 4.534 4.170 0.007 0.000 0.313 354 I C -0.116 176.076 176.117 0.125 0.000 1.155 354 I CA -1.187 60.236 61.300 0.204 0.000 0.977 354 I CB 1.926 39.975 38.000 0.081 0.000 1.248 354 I HN 0.501 nan 8.210 nan 0.000 0.453 355 N N 1.654 120.338 118.700 -0.027 0.000 2.725 355 N HA -0.248 4.497 4.740 0.007 0.000 0.251 355 N C -1.143 174.341 175.510 -0.045 0.000 1.031 355 N CA 1.379 54.373 53.050 -0.094 0.000 0.720 355 N CB -1.196 37.255 38.487 -0.059 0.000 0.930 355 N HN 0.757 nan 8.380 nan 0.000 0.543 356 Y N -2.628 117.657 120.300 -0.025 0.000 2.596 356 Y HA 0.843 5.397 4.550 0.008 0.000 0.326 356 Y C 0.398 176.325 175.900 0.045 0.000 1.167 356 Y CA -0.927 57.169 58.100 -0.007 0.000 1.246 356 Y CB 0.784 39.248 38.460 0.006 0.000 1.347 356 Y HN -0.019 nan 8.280 nan 0.000 0.515 357 T N 2.473 117.181 114.554 0.256 0.000 2.928 357 T HA 0.527 4.882 4.350 0.007 0.000 0.296 357 T C -0.969 173.915 174.700 0.308 0.000 1.000 357 T CA -0.500 61.722 62.100 0.204 0.000 0.989 357 T CB 0.668 69.544 68.868 0.014 0.000 1.005 357 T HN 0.563 nan 8.240 nan 0.000 0.442 358 I N 3.549 124.362 120.570 0.406 0.000 2.382 358 I HA 0.335 4.509 4.170 0.007 0.000 0.285 358 I C -0.358 175.957 176.117 0.330 0.000 1.007 358 I CA -1.028 60.480 61.300 0.346 0.000 1.142 358 I CB 1.319 39.529 38.000 0.349 0.000 1.289 358 I HN 0.441 nan 8.210 nan 0.000 0.453 359 N N 6.172 125.010 118.700 0.229 0.000 2.475 359 N HA 0.278 5.022 4.740 0.007 0.000 0.267 359 N C -0.519 175.049 175.510 0.098 0.000 1.169 359 N CA -0.157 52.999 53.050 0.176 0.000 0.947 359 N CB 0.750 39.310 38.487 0.121 0.000 1.061 359 N HN 0.377 nan 8.380 nan 0.000 0.466 360 I N 3.154 123.735 120.570 0.018 0.000 2.416 360 I HA 0.169 4.344 4.170 0.007 0.000 0.288 360 I C 0.239 176.210 176.117 -0.242 0.000 1.051 360 I CA 0.173 61.363 61.300 -0.183 0.000 1.375 360 I CB 0.344 38.210 38.000 -0.223 0.000 1.407 360 I HN 0.238 nan 8.210 nan 0.000 0.516 361 M N 5.803 125.133 119.600 -0.451 0.000 2.528 361 M HA 0.516 5.000 4.480 0.007 0.000 0.321 361 M C -0.460 175.490 176.300 -0.583 0.000 1.153 361 M CA -0.540 54.467 55.300 -0.489 0.000 0.951 361 M CB 1.744 33.969 32.600 -0.625 0.000 1.705 361 M HN 0.486 nan 8.290 nan 0.000 0.451 362 E N 1.444 121.487 120.200 -0.263 0.000 2.266 362 E HA 0.497 4.852 4.350 0.007 0.000 0.268 362 E C -1.551 175.082 176.600 0.056 0.000 0.879 362 E CA -1.016 55.316 56.400 -0.113 0.000 0.762 362 E CB 3.258 32.956 29.700 -0.005 0.000 1.199 362 E HN 0.385 nan 8.360 nan 0.000 0.422 363 L N 2.615 123.923 121.223 0.141 0.000 2.259 363 L HA 0.393 4.738 4.340 0.007 0.000 0.288 363 L C -0.039 176.849 176.870 0.030 0.000 1.051 363 L CA 0.291 55.217 54.840 0.143 0.000 0.824 363 L CB -0.132 42.028 42.059 0.169 0.000 1.206 363 L HN 0.602 nan 8.230 nan 0.000 0.429 364 K N 2.379 122.784 120.400 0.008 0.000 2.502 364 K HA 0.550 4.875 4.320 0.007 0.000 0.252 364 K C 0.946 177.497 176.600 -0.082 0.000 1.043 364 K CA 0.360 56.638 56.287 -0.015 0.000 0.999 364 K CB -0.452 32.057 32.500 0.014 0.000 1.343 364 K HN 0.619 nan 8.250 nan 0.000 0.513 365 T N 1.338 115.863 114.554 -0.048 0.000 2.777 365 T HA -0.137 4.217 4.350 0.007 0.000 0.266 365 T C 1.513 176.192 174.700 -0.035 0.000 1.040 365 T CA 1.663 63.728 62.100 -0.059 0.000 1.141 365 T CB -0.163 68.749 68.868 0.074 0.000 0.868 365 T HN 0.808 nan 8.240 nan 0.000 0.444 366 N N 1.459 120.166 118.700 0.011 0.000 2.515 366 N HA 0.230 4.974 4.740 0.007 0.000 0.185 366 N C 0.866 176.380 175.510 0.007 0.000 1.109 366 N CA 0.765 53.836 53.050 0.036 0.000 0.903 366 N CB -0.076 38.438 38.487 0.044 0.000 0.969 366 N HN 0.535 nan 8.380 nan 0.000 0.450 367 G N -0.174 108.604 108.800 -0.037 0.000 2.353 367 G HA2 -0.038 3.927 3.960 0.007 0.000 0.615 367 G HA3 -0.038 3.927 3.960 0.007 0.000 0.615 367 G C -3.223 171.686 174.900 0.015 0.000 1.280 367 G CA -0.723 44.358 45.100 -0.033 0.000 1.000 367 G HN 0.136 nan 8.290 nan 0.000 0.516 368 P HA 0.466 nan 4.420 nan 0.000 0.267 368 P C -0.079 177.284 177.300 0.105 0.000 1.201 368 P CA 0.920 64.111 63.100 0.153 0.000 0.775 368 P CB 0.486 32.310 31.700 0.207 0.000 0.854 369 R N -0.696 119.861 120.500 0.096 0.000 2.522 369 R HA 0.602 4.946 4.340 0.007 0.000 0.273 369 R C -0.195 176.122 176.300 0.028 0.000 1.133 369 R CA -0.582 55.553 56.100 0.058 0.000 0.969 369 R CB -0.339 29.988 30.300 0.045 0.000 1.235 369 R HN 0.678 nan 8.270 nan 0.000 0.433 370 K N 1.856 122.277 120.400 0.035 0.000 2.383 370 K HA 0.530 4.854 4.320 0.007 0.000 0.286 370 K C 1.001 177.602 176.600 0.001 0.000 1.051 370 K CA 0.394 56.690 56.287 0.015 0.000 0.974 370 K CB -0.186 32.342 32.500 0.048 0.000 0.968 370 K HN 1.346 nan 8.250 nan 0.000 0.475 371 I N -1.267 119.281 120.570 -0.037 0.000 3.956 371 I HA 0.495 4.669 4.170 0.007 0.000 0.333 371 I C 0.647 176.716 176.117 -0.079 0.000 1.302 371 I CA 0.213 61.484 61.300 -0.048 0.000 1.122 371 I CB 0.411 38.373 38.000 -0.063 0.000 1.013 371 I HN 0.723 nan 8.210 nan 0.000 0.405 372 G N 1.057 109.827 108.800 -0.051 0.000 2.327 372 G HA2 0.279 4.243 3.960 0.007 0.000 0.291 372 G HA3 0.279 4.243 3.960 0.007 0.000 0.291 372 G C -1.850 173.086 174.900 0.060 0.000 1.290 372 G CA -0.269 44.805 45.100 -0.043 0.000 0.857 372 G HN 0.401 nan 8.290 nan 0.000 0.520 373 Y N -2.703 117.581 120.300 -0.027 0.000 2.669 373 Y HA 0.860 5.410 4.550 -0.000 0.000 0.335 373 Y C -1.351 174.616 175.900 0.111 0.000 1.116 373 Y CA -2.349 55.778 58.100 0.045 0.000 1.081 373 Y CB 1.837 40.312 38.460 0.026 0.000 1.297 373 Y HN 0.849 nan 8.280 nan 0.000 0.484 374 W N 1.949 123.328 121.300 0.132 0.000 2.647 374 W HA 0.675 5.339 4.660 0.008 0.000 0.328 374 W C -1.313 175.261 176.519 0.092 0.000 1.018 374 W CA -0.637 56.714 57.345 0.011 0.000 1.245 374 W CB 2.121 31.605 29.460 0.040 0.000 1.356 374 W HN 0.723 nan 8.180 nan 0.000 0.443 375 S N 3.004 118.363 115.700 -0.568 0.000 2.549 375 S HA 0.156 4.630 4.470 0.007 0.000 0.297 375 S C 1.079 174.872 174.600 -1.344 0.000 1.115 375 S CA -0.315 57.509 58.200 -0.626 0.000 1.059 375 S CB 1.312 64.361 63.200 -0.251 0.000 1.046 375 S HN 0.711 nan 8.310 nan 0.000 0.506 376 E N 2.419 121.994 120.200 -1.042 0.000 2.401 376 E HA -0.100 4.255 4.350 0.007 0.000 0.199 376 E C 1.156 177.444 176.600 -0.520 0.000 1.023 376 E CA 1.437 57.346 56.400 -0.817 0.000 0.859 376 E CB -0.275 29.170 29.700 -0.425 0.000 0.780 376 E HN 0.476 nan 8.360 nan 0.000 0.523 377 V N -3.031 116.603 119.914 -0.466 0.000 3.612 377 V HA 0.173 4.298 4.120 0.007 0.000 0.268 377 V C 0.658 176.583 176.094 -0.281 0.000 1.365 377 V CA 0.212 62.340 62.300 -0.288 0.000 1.044 377 V CB 0.539 32.244 31.823 -0.197 0.000 0.820 377 V HN -0.044 nan 8.190 nan 0.000 0.444 378 D N 0.659 120.835 120.400 -0.372 0.000 2.469 378 D HA 0.368 5.013 4.640 0.007 0.000 0.213 378 D C 1.298 177.352 176.300 -0.411 0.000 1.135 378 D CA 1.031 54.848 54.000 -0.305 0.000 0.834 378 D CB 1.221 41.897 40.800 -0.207 0.000 1.009 378 D HN 0.690 nan 8.370 nan 0.000 0.507 379 K N 0.794 120.808 120.400 -0.644 0.000 1.987 379 K HA -0.298 4.026 4.320 0.007 0.000 0.206 379 K C 0.469 176.677 176.600 -0.652 0.000 1.587 379 K CA 1.411 57.286 56.287 -0.687 0.000 0.589 379 K CB -1.626 30.751 32.500 -0.206 0.000 0.682 379 K HN 0.293 nan 8.250 nan 0.000 0.876 380 M N 0.739 120.209 119.600 -0.216 0.000 2.216 380 M HA 0.573 5.057 4.480 0.007 0.000 0.356 380 M C -0.887 175.195 176.300 -0.364 0.000 1.205 380 M CA -0.584 54.603 55.300 -0.188 0.000 1.122 380 M CB 1.265 33.822 32.600 -0.071 0.000 1.571 380 M HN 0.580 nan 8.290 nan 0.000 0.464 381 V N 6.292 125.863 119.914 -0.571 0.000 2.488 381 V HA 0.343 4.467 4.120 0.007 0.000 0.293 381 V C -0.496 175.330 176.094 -0.446 0.000 1.027 381 V CA -0.814 61.156 62.300 -0.550 0.000 0.862 381 V CB 1.490 32.867 31.823 -0.745 0.000 1.008 381 V HN 0.787 nan 8.190 nan 0.000 0.428 382 L N 3.280 124.341 121.223 -0.270 0.000 2.479 382 L HA 0.548 4.892 4.340 0.007 0.000 0.249 382 L C 0.830 177.653 176.870 -0.078 0.000 1.178 382 L CA 0.564 55.294 54.840 -0.184 0.000 0.811 382 L CB 0.815 42.780 42.059 -0.156 0.000 1.187 382 L HN 0.610 nan 8.230 nan 0.000 0.480 383 T N 0.373 114.906 114.554 -0.034 0.000 2.772 383 T HA 0.414 4.769 4.350 0.007 0.000 0.288 383 T C -0.065 174.640 174.700 0.007 0.000 0.994 383 T CA -0.526 61.579 62.100 0.008 0.000 0.951 383 T CB 0.942 69.829 68.868 0.031 0.000 0.933 383 T HN 0.626 nan 8.240 nan 0.000 0.447 384 E N 1.573 121.779 120.200 0.010 0.000 2.168 384 E HA 0.392 4.746 4.350 0.007 0.000 0.254 384 E C 0.500 177.110 176.600 0.018 0.000 1.228 384 E CA 0.175 56.583 56.400 0.013 0.000 0.956 384 E CB -1.050 28.657 29.700 0.012 0.000 1.031 384 E HN 0.890 nan 8.360 nan 0.000 0.441 385 D N 1.313 121.726 120.400 0.021 0.000 2.804 385 D HA 0.442 5.086 4.640 0.007 0.000 0.308 385 D C 0.498 176.815 176.300 0.027 0.000 1.371 385 D CA 0.303 54.318 54.000 0.024 0.000 0.823 385 D CB -0.528 40.288 40.800 0.027 0.000 1.126 385 D HN 0.925 nan 8.370 nan 0.000 0.467 386 D N 0.633 121.048 120.400 0.026 0.000 2.479 386 D HA 0.480 5.124 4.640 0.007 0.000 0.257 386 D C 0.876 177.192 176.300 0.026 0.000 1.230 386 D CA 0.694 54.711 54.000 0.027 0.000 0.912 386 D CB -0.582 40.232 40.800 0.024 0.000 1.130 386 D HN 0.809 nan 8.370 nan 0.000 0.515 387 T N -0.139 114.433 114.554 0.029 0.000 2.926 387 T HA 0.542 4.896 4.350 0.007 0.000 0.307 387 T C 1.678 176.393 174.700 0.025 0.000 1.059 387 T CA 0.312 62.429 62.100 0.028 0.000 1.122 387 T CB 0.228 69.115 68.868 0.031 0.000 0.972 387 T HN 0.987 nan 8.240 nan 0.000 0.545 388 S N 0.815 116.529 115.700 0.023 0.000 2.851 388 S HA 0.374 4.848 4.470 0.007 0.000 0.227 388 S C 2.073 176.686 174.600 0.022 0.000 0.958 388 S CA 0.537 58.750 58.200 0.021 0.000 0.990 388 S CB -0.516 62.695 63.200 0.019 0.000 0.790 388 S HN 1.050 nan 8.310 nan 0.000 0.509 389 G N -0.112 108.703 108.800 0.025 0.000 2.559 389 G HA2 0.236 4.200 3.960 0.007 0.000 0.216 389 G HA3 0.236 4.200 3.960 0.007 0.000 0.216 389 G C 0.970 175.885 174.900 0.025 0.000 1.126 389 G CA 0.966 46.081 45.100 0.026 0.000 0.778 389 G HN 1.078 nan 8.290 nan 0.000 0.543 390 L N -0.076 121.161 121.223 0.023 0.000 2.928 390 L HA 0.803 5.147 4.340 0.007 0.000 0.236 390 L C 1.308 178.191 176.870 0.022 0.000 1.290 390 L CA 0.805 55.658 54.840 0.022 0.000 1.099 390 L CB -1.312 40.759 42.059 0.020 0.000 1.437 390 L HN 0.382 nan 8.230 nan 0.000 0.493 391 E N -0.712 119.502 120.200 0.023 0.000 2.354 391 E HA 0.498 4.853 4.350 0.007 0.000 0.252 391 E C 0.723 177.339 176.600 0.026 0.000 1.330 391 E CA 0.205 56.618 56.400 0.022 0.000 1.658 391 E CB -0.679 29.033 29.700 0.020 0.000 1.460 391 E HN 1.377 nan 8.360 nan 0.000 0.435 392 Q N 0.714 120.532 119.800 0.030 0.000 2.283 392 Q HA 0.508 4.852 4.340 0.007 0.000 0.269 392 Q C 0.721 176.746 176.000 0.043 0.000 1.187 392 Q CA 0.228 56.055 55.803 0.040 0.000 0.922 392 Q CB -1.368 27.396 28.738 0.043 0.000 1.323 392 Q HN 1.040 nan 8.270 nan 0.000 0.432 393 K N 1.894 122.318 120.400 0.041 0.000 2.484 393 K HA 0.362 4.686 4.320 0.007 0.000 0.280 393 K C 0.291 176.924 176.600 0.055 0.000 1.013 393 K CA 0.376 56.684 56.287 0.034 0.000 1.029 393 K CB 0.054 32.564 32.500 0.017 0.000 0.902 393 K HN 0.785 nan 8.250 nan 0.000 0.481 394 T N 2.478 117.061 114.554 0.049 0.000 2.743 394 T HA 0.348 4.702 4.350 0.007 0.000 0.293 394 T C 0.085 174.826 174.700 0.067 0.000 0.945 394 T CA -0.526 61.619 62.100 0.074 0.000 1.030 394 T CB 0.891 69.791 68.868 0.054 0.000 0.912 394 T HN 0.406 nan 8.240 nan 0.000 0.483 395 V N 4.647 124.629 119.914 0.115 0.000 2.530 395 V HA 0.144 4.268 4.120 0.007 0.000 0.282 395 V C 0.430 176.578 176.094 0.090 0.000 1.048 395 V CA -0.595 61.728 62.300 0.038 0.000 0.997 395 V CB 1.173 32.935 31.823 -0.101 0.000 0.987 395 V HN 0.667 nan 8.190 nan 0.000 0.477 396 V N 6.478 126.405 119.914 0.022 0.000 2.372 396 V HA 0.191 4.316 4.120 0.007 0.000 0.261 396 V C 0.131 176.233 176.094 0.013 0.000 1.055 396 V CA -0.285 62.034 62.300 0.031 0.000 0.930 396 V CB 1.200 33.025 31.823 0.004 0.000 1.031 396 V HN 0.614 nan 8.190 nan 0.000 0.479 397 V N 4.587 124.534 119.914 0.054 0.000 2.333 397 V HA 0.289 4.414 4.120 0.007 0.000 0.274 397 V C 0.569 176.643 176.094 -0.033 0.000 1.028 397 V CA -0.115 62.188 62.300 0.004 0.000 0.851 397 V CB 1.528 33.364 31.823 0.022 0.000 1.000 397 V HN 0.894 nan 8.190 nan 0.000 0.456 398 T N 3.943 118.460 114.554 -0.061 0.000 2.882 398 T HA 0.586 4.941 4.350 0.007 0.000 0.287 398 T C -0.215 174.426 174.700 -0.098 0.000 0.992 398 T CA 0.052 62.106 62.100 -0.076 0.000 1.076 398 T CB 1.215 70.044 68.868 -0.064 0.000 0.961 398 T HN 0.903 nan 8.240 nan 0.000 0.490 399 T N 3.724 118.202 114.554 -0.128 0.000 2.802 399 T HA 0.552 4.906 4.350 0.007 0.000 0.311 399 T C -1.476 173.120 174.700 -0.172 0.000 1.405 399 T CA -0.734 61.280 62.100 -0.143 0.000 1.016 399 T CB 1.138 69.907 68.868 -0.164 0.000 1.352 399 T HN 0.670 nan 8.240 nan 0.000 0.498 400 I N 2.833 123.292 120.570 -0.184 0.000 2.607 400 I HA 0.540 4.714 4.170 0.007 0.000 0.305 400 I C -0.570 175.445 176.117 -0.170 0.000 0.995 400 I CA -1.389 59.774 61.300 -0.228 0.000 1.148 400 I CB 1.267 39.016 38.000 -0.418 0.000 1.323 400 I HN 0.620 nan 8.210 nan 0.000 0.461 401 L N 6.156 127.295 121.223 -0.140 0.000 2.401 401 L HA 0.255 4.599 4.340 0.007 0.000 0.283 401 L C -0.687 176.146 176.870 -0.062 0.000 1.151 401 L CA 0.246 55.039 54.840 -0.079 0.000 0.942 401 L CB -0.238 41.793 42.059 -0.046 0.000 1.283 401 L HN 0.495 nan 8.230 nan 0.000 0.442 402 E N 1.735 121.914 120.200 -0.036 0.000 2.281 402 E HA 0.282 4.637 4.350 0.007 0.000 0.266 402 E C -0.958 175.650 176.600 0.013 0.000 0.893 402 E CA -0.344 56.064 56.400 0.014 0.000 0.798 402 E CB 1.456 31.192 29.700 0.059 0.000 1.245 402 E HN 0.327 nan 8.360 nan 0.000 0.410 403 S N 5.495 121.131 115.700 -0.107 0.000 2.564 403 S HA 0.241 4.715 4.470 0.007 0.000 0.278 403 S C -1.901 172.289 174.600 -0.684 0.000 1.333 403 S CA -0.782 57.205 58.200 -0.355 0.000 1.048 403 S CB 0.812 63.816 63.200 -0.326 0.000 0.900 403 S HN 0.494 nan 8.310 nan 0.000 0.505 404 P HA 0.241 nan 4.420 nan 0.000 0.257 404 P C -0.264 176.575 177.300 -0.768 0.000 1.737 404 P CA -0.141 62.418 63.100 -0.901 0.000 1.130 404 P CB -0.095 30.982 31.700 -1.039 0.000 1.572 405 Y N -0.156 119.904 120.300 -0.400 0.000 2.176 405 Y HA 0.045 4.600 4.550 0.007 0.000 0.291 405 Y C 1.359 177.089 175.900 -0.284 0.000 1.122 405 Y CA 0.928 58.889 58.100 -0.231 0.000 1.128 405 Y CB 0.001 38.415 38.460 -0.077 0.000 1.005 405 Y HN -0.250 nan 8.280 nan 0.000 0.509 406 V N 1.569 121.446 119.914 -0.062 0.000 2.488 406 V HA 0.330 4.454 4.120 0.007 0.000 0.293 406 V C -0.675 175.385 176.094 -0.055 0.000 1.027 406 V CA -0.734 61.511 62.300 -0.092 0.000 0.862 406 V CB 1.339 33.107 31.823 -0.092 0.000 1.008 406 V HN 0.129 nan 8.190 nan 0.000 0.428 407 M N 4.431 124.012 119.600 -0.033 0.000 2.619 407 M HA 0.662 5.147 4.480 0.007 0.000 0.297 407 M C -0.730 175.610 176.300 0.066 0.000 1.229 407 M CA -0.810 54.493 55.300 0.006 0.000 0.860 407 M CB 2.365 34.950 32.600 -0.025 0.000 1.741 407 M HN 0.297 nan 8.290 nan 0.000 0.462 408 M N 2.186 121.788 119.600 0.003 0.000 2.184 408 M HA 0.236 4.721 4.480 0.007 0.000 0.351 408 M C 0.360 176.652 176.300 -0.013 0.000 1.395 408 M CA -0.050 55.186 55.300 -0.106 0.000 1.117 408 M CB 0.050 32.448 32.600 -0.337 0.000 1.708 408 M HN 0.814 nan 8.290 nan 0.000 0.468 409 K N 2.565 122.975 120.400 0.017 0.000 2.397 409 K HA 0.410 4.734 4.320 0.007 0.000 0.265 409 K C 1.281 177.960 176.600 0.132 0.000 0.982 409 K CA 0.555 56.893 56.287 0.085 0.000 0.931 409 K CB -0.400 32.143 32.500 0.071 0.000 0.943 409 K HN 0.817 nan 8.250 nan 0.000 0.501 410 A N 1.555 124.438 122.820 0.106 0.000 1.848 410 A HA -0.192 4.132 4.320 0.007 0.000 0.217 410 A C 1.307 178.934 177.584 0.071 0.000 1.220 410 A CA 2.176 54.268 52.037 0.093 0.000 0.645 410 A CB -0.708 18.327 19.000 0.059 0.000 0.842 410 A HN 1.124 nan 8.150 nan 0.000 0.451 411 N N 0.421 119.134 118.700 0.021 0.000 3.259 411 N HA 0.112 4.856 4.740 0.007 0.000 0.308 411 N C 0.291 175.754 175.510 -0.078 0.000 1.334 411 N CA 0.519 53.536 53.050 -0.054 0.000 1.202 411 N CB -0.949 37.514 38.487 -0.040 0.000 1.485 411 N HN 0.807 nan 8.380 nan 0.000 0.549 412 H N -1.830 117.209 119.070 -0.051 0.000 2.491 412 H HA 0.199 4.759 4.556 0.007 0.000 0.290 412 H C 1.623 176.902 175.328 -0.082 0.000 1.050 412 H CA 1.125 57.117 56.048 -0.093 0.000 1.309 412 H CB -0.005 29.677 29.762 -0.133 0.000 1.392 412 H HN 0.348 nan 8.280 nan 0.000 0.554 413 A N 0.981 123.436 122.820 -0.609 0.000 2.066 413 A HA 0.253 4.577 4.320 0.007 0.000 0.218 413 A C 2.320 179.806 177.584 -0.163 0.000 1.157 413 A CA 0.935 52.753 52.037 -0.365 0.000 0.670 413 A CB -0.697 18.069 19.000 -0.390 0.000 0.804 413 A HN 0.643 nan 8.150 nan 0.000 0.453 414 A N -1.101 121.637 122.820 -0.136 0.000 2.345 414 A HA 0.601 4.925 4.320 0.007 0.000 0.225 414 A C 0.535 178.089 177.584 -0.050 0.000 1.243 414 A CA -0.110 51.881 52.037 -0.076 0.000 0.875 414 A CB -0.134 18.827 19.000 -0.065 0.000 0.929 414 A HN 0.379 nan 8.150 nan 0.000 0.502 415 L N -1.745 119.448 121.223 -0.050 0.000 2.279 415 L HA 0.868 5.213 4.340 0.007 0.000 0.262 415 L C 0.043 176.895 176.870 -0.030 0.000 1.019 415 L CA -0.818 54.003 54.840 -0.032 0.000 0.823 415 L CB 2.093 44.136 42.059 -0.026 0.000 1.358 415 L HN 0.139 nan 8.230 nan 0.000 0.432 416 A N -0.450 122.357 122.820 -0.022 0.000 2.593 416 A HA 0.862 5.187 4.320 0.007 0.000 0.290 416 A C -0.058 177.526 177.584 -0.001 0.000 1.126 416 A CA 0.031 52.060 52.037 -0.013 0.000 0.695 416 A CB 1.128 20.125 19.000 -0.005 0.000 1.290 416 A HN 1.095 nan 8.150 nan 0.000 0.414 417 G N 0.769 109.583 108.800 0.024 0.000 2.550 417 G HA2 -0.278 3.687 3.960 0.007 0.000 0.277 417 G HA3 -0.278 3.687 3.960 0.007 0.000 0.277 417 G C 0.398 175.362 174.900 0.108 0.000 1.190 417 G CA 0.724 45.853 45.100 0.049 0.000 0.971 417 G HN 1.116 nan 8.290 nan 0.000 0.559 418 N N 1.828 120.581 118.700 0.088 0.000 2.463 418 N HA 0.265 5.009 4.740 0.007 0.000 0.181 418 N C 2.190 177.794 175.510 0.158 0.000 1.078 418 N CA 1.888 55.042 53.050 0.173 0.000 0.902 418 N CB -0.397 38.124 38.487 0.058 0.000 0.970 418 N HN 0.976 nan 8.380 nan 0.000 0.451 419 E N 1.364 121.603 120.200 0.065 0.000 2.338 419 E HA -0.067 4.287 4.350 0.007 0.000 0.197 419 E C 1.880 178.482 176.600 0.003 0.000 1.007 419 E CA 0.677 57.103 56.400 0.043 0.000 0.849 419 E CB -0.669 29.042 29.700 0.018 0.000 0.774 419 E HN 0.427 nan 8.360 nan 0.000 0.506 420 R N -1.302 119.143 120.500 -0.092 0.000 2.148 420 R HA 0.047 4.392 4.340 0.007 0.000 0.227 420 R C 0.066 176.137 176.300 -0.382 0.000 1.103 420 R CA 0.764 56.682 56.100 -0.303 0.000 0.983 420 R CB -0.143 29.806 30.300 -0.586 0.000 0.874 420 R HN 0.518 nan 8.270 nan 0.000 0.451 421 Y N 0.600 120.926 120.300 0.043 0.000 2.496 421 Y HA 0.288 4.842 4.550 0.007 0.000 0.331 421 Y C 0.007 175.928 175.900 0.035 0.000 1.140 421 Y CA -1.256 56.855 58.100 0.019 0.000 1.166 421 Y CB 1.328 39.788 38.460 -0.000 0.000 1.249 421 Y HN 0.011 nan 8.280 nan 0.000 0.479 422 E N 0.072 120.367 120.200 0.160 0.000 2.372 422 E HA 0.799 5.153 4.350 0.007 0.000 0.279 422 E C -0.790 175.661 176.600 -0.248 0.000 0.946 422 E CA -1.161 55.296 56.400 0.095 0.000 0.769 422 E CB 2.419 32.274 29.700 0.258 0.000 1.230 422 E HN 0.897 nan 8.360 nan 0.000 0.442 423 G N 0.648 108.984 108.800 -0.775 0.000 2.359 423 G HA2 -0.057 3.908 3.960 0.007 0.000 0.293 423 G HA3 -0.057 3.908 3.960 0.007 0.000 0.293 423 G C -0.733 173.274 174.900 -1.488 0.000 1.300 423 G CA -0.333 43.787 45.100 -1.633 0.000 0.888 423 G HN 0.575 nan 8.290 nan 0.000 0.541 424 Y N -0.028 119.415 120.300 -1.427 0.000 2.097 424 Y HA -0.128 4.426 4.550 0.008 0.000 0.282 424 Y C 2.992 178.788 175.900 -0.173 0.000 1.152 424 Y CA 3.153 60.900 58.100 -0.588 0.000 1.136 424 Y CB -0.380 37.995 38.460 -0.143 0.000 0.975 424 Y HN 0.512 nan 8.280 nan 0.000 0.498 425 C N -0.985 118.338 119.300 0.039 0.000 2.435 425 C HA -0.094 4.371 4.460 0.007 0.000 0.279 425 C C 2.749 177.652 174.990 -0.144 0.000 1.321 425 C CA 0.844 59.842 59.018 -0.033 0.000 1.752 425 C CB -1.125 26.651 27.740 0.061 0.000 1.959 425 C HN 0.512 nan 8.230 nan 0.000 0.500 426 V N 1.383 121.212 119.914 -0.140 0.000 2.343 426 V HA -0.198 3.926 4.120 0.007 0.000 0.247 426 V C 2.014 178.095 176.094 -0.021 0.000 1.051 426 V CA 2.243 64.507 62.300 -0.060 0.000 1.036 426 V CB -0.634 31.179 31.823 -0.017 0.000 0.654 426 V HN 0.460 nan 8.190 nan 0.000 0.451 427 D N -0.258 120.122 120.400 -0.033 0.000 2.149 427 D HA -0.086 4.558 4.640 0.007 0.000 0.201 427 D C 1.874 178.117 176.300 -0.094 0.000 0.972 427 D CA 0.719 54.734 54.000 0.025 0.000 0.835 427 D CB -0.307 40.593 40.800 0.166 0.000 0.966 427 D HN 0.321 nan 8.370 nan 0.000 0.476 428 L N 0.779 121.858 121.223 -0.239 0.000 2.131 428 L HA -0.032 4.312 4.340 0.007 0.000 0.210 428 L C 1.965 178.688 176.870 -0.244 0.000 1.092 428 L CA 1.324 55.983 54.840 -0.302 0.000 0.759 428 L CB -0.714 41.059 42.059 -0.476 0.000 0.903 428 L HN -0.030 nan 8.230 nan 0.000 0.435 429 A N -0.476 122.195 122.820 -0.248 0.000 1.873 429 A HA -0.071 4.254 4.320 0.007 0.000 0.215 429 A C 2.471 179.812 177.584 -0.406 0.000 1.186 429 A CA 1.711 53.523 52.037 -0.375 0.000 0.616 429 A CB -1.185 17.545 19.000 -0.450 0.000 0.823 429 A HN 0.529 nan 8.150 nan 0.000 0.442 430 A N -0.464 122.263 122.820 -0.155 0.000 1.940 430 A HA -0.165 4.159 4.320 0.007 0.000 0.219 430 A C 1.959 179.516 177.584 -0.045 0.000 1.176 430 A CA 1.762 53.810 52.037 0.019 0.000 0.631 430 A CB -0.425 18.648 19.000 0.121 0.000 0.814 430 A HN 0.491 nan 8.150 nan 0.000 0.446 431 E N -0.072 120.102 120.200 -0.044 0.000 2.047 431 E HA -0.135 4.219 4.350 0.007 0.000 0.191 431 E C 2.071 178.709 176.600 0.062 0.000 0.987 431 E CA 0.921 57.340 56.400 0.032 0.000 0.799 431 E CB -0.387 29.323 29.700 0.016 0.000 0.752 431 E HN 0.545 nan 8.360 nan 0.000 0.449 432 I N 1.195 121.732 120.570 -0.056 0.000 2.226 432 I HA -0.209 3.966 4.170 0.007 0.000 0.245 432 I C 2.392 178.446 176.117 -0.104 0.000 1.100 432 I CA 1.089 62.371 61.300 -0.030 0.000 1.374 432 I CB -1.393 36.582 38.000 -0.042 0.000 1.057 432 I HN -0.052 nan 8.210 nan 0.000 0.413 433 A N 0.870 123.453 122.820 -0.396 0.000 2.015 433 A HA -0.184 4.140 4.320 0.007 0.000 0.219 433 A C 2.589 179.855 177.584 -0.529 0.000 1.163 433 A CA 2.211 53.639 52.037 -1.013 0.000 0.646 433 A CB -0.696 17.779 19.000 -0.874 0.000 0.806 433 A HN 0.453 nan 8.150 nan 0.000 0.448 434 K N -0.952 119.309 120.400 -0.231 0.000 2.116 434 K HA -0.097 4.227 4.320 0.007 0.000 0.203 434 K C 1.846 178.329 176.600 -0.195 0.000 1.052 434 K CA 1.417 57.591 56.287 -0.188 0.000 0.952 434 K CB -1.001 31.398 32.500 -0.168 0.000 0.729 434 K HN 0.802 nan 8.250 nan 0.000 0.446 435 H N -1.372 117.654 119.070 -0.073 0.000 2.512 435 H HA 0.073 4.633 4.556 0.007 0.000 0.279 435 H C 1.600 176.937 175.328 0.016 0.000 0.999 435 H CA 1.177 57.214 56.048 -0.020 0.000 1.283 435 H CB 0.213 29.971 29.762 -0.007 0.000 1.421 435 H HN 0.509 nan 8.280 nan 0.000 0.554 436 C N -0.195 119.185 119.300 0.134 0.000 2.912 436 C HA 0.293 4.757 4.460 0.007 0.000 0.274 436 C C 1.295 176.418 174.990 0.221 0.000 1.248 436 C CA 0.446 59.598 59.018 0.223 0.000 1.694 436 C CB -0.273 27.734 27.740 0.445 0.000 2.024 436 C HN 0.740 nan 8.230 nan 0.000 0.605 437 G N 2.239 111.068 108.800 0.048 0.000 2.438 437 G HA2 -0.143 3.821 3.960 0.007 0.000 0.272 437 G HA3 -0.143 3.821 3.960 0.007 0.000 0.272 437 G C -0.588 174.418 174.900 0.177 0.000 0.991 437 G CA 0.469 45.592 45.100 0.038 0.000 1.348 437 G HN 1.036 nan 8.290 nan 0.000 0.483 438 F N -2.209 117.777 119.950 0.060 0.000 2.708 438 F HA 0.852 5.383 4.527 0.007 0.000 0.309 438 F C -0.389 175.486 175.800 0.124 0.000 1.120 438 F CA -1.152 56.891 58.000 0.072 0.000 0.978 438 F CB 0.251 39.289 39.000 0.063 0.000 1.283 438 F HN 0.641 nan 8.300 nan 0.000 0.439 439 K N 1.371 121.948 120.400 0.295 0.000 2.118 439 K HA 0.748 5.072 4.320 0.007 0.000 0.264 439 K C -1.553 175.287 176.600 0.399 0.000 1.000 439 K CA 0.166 56.566 56.287 0.187 0.000 0.929 439 K CB 0.706 33.246 32.500 0.067 0.000 1.021 439 K HN 1.289 nan 8.250 nan 0.000 0.463 440 Y N -3.150 117.248 120.300 0.164 0.000 2.615 440 Y HA 0.774 5.329 4.550 0.008 0.000 0.341 440 Y C -0.269 175.686 175.900 0.093 0.000 1.089 440 Y CA -1.166 57.042 58.100 0.181 0.000 1.049 440 Y CB 1.122 39.744 38.460 0.270 0.000 1.296 440 Y HN 0.661 nan 8.280 nan 0.000 0.470 441 K N 2.690 123.219 120.400 0.215 0.000 2.559 441 K HA 0.612 4.937 4.320 0.007 0.000 0.249 441 K C -1.366 175.334 176.600 0.166 0.000 0.958 441 K CA -0.690 55.664 56.287 0.111 0.000 0.901 441 K CB 0.634 33.174 32.500 0.066 0.000 1.124 441 K HN 0.865 nan 8.250 nan 0.000 0.437 442 L N 3.081 124.413 121.223 0.181 0.000 2.477 442 L HA 0.306 4.651 4.340 0.007 0.000 0.272 442 L C 0.858 177.703 176.870 -0.042 0.000 1.157 442 L CA -0.038 54.842 54.840 0.066 0.000 0.889 442 L CB 0.732 42.804 42.059 0.021 0.000 1.158 442 L HN 0.906 nan 8.230 nan 0.000 0.473 443 T N 1.153 115.650 114.554 -0.094 0.000 2.886 443 T HA 0.565 4.919 4.350 0.007 0.000 0.292 443 T C -0.364 174.248 174.700 -0.148 0.000 1.012 443 T CA -0.921 61.129 62.100 -0.084 0.000 0.982 443 T CB 1.905 70.761 68.868 -0.019 0.000 1.018 443 T HN 0.129 nan 8.240 nan 0.000 0.451 444 I N 3.208 123.699 120.570 -0.131 0.000 2.395 444 I HA 0.250 4.425 4.170 0.007 0.000 0.289 444 I C 1.079 177.152 176.117 -0.073 0.000 1.023 444 I CA -1.069 60.155 61.300 -0.126 0.000 1.350 444 I CB 1.212 39.164 38.000 -0.080 0.000 1.409 444 I HN 0.674 nan 8.210 nan 0.000 0.507 445 V N 7.372 127.235 119.914 -0.086 0.000 2.788 445 V HA 0.152 4.276 4.120 0.007 0.000 0.307 445 V C 1.497 177.567 176.094 -0.041 0.000 1.069 445 V CA 0.837 63.102 62.300 -0.059 0.000 1.173 445 V CB 1.127 32.905 31.823 -0.076 0.000 0.925 445 V HN 1.015 nan 8.190 nan 0.000 0.492 446 G N 4.687 113.477 108.800 -0.017 0.000 2.604 446 G HA2 -0.272 3.692 3.960 0.007 0.000 0.216 446 G HA3 -0.272 3.692 3.960 0.007 0.000 0.216 446 G C 0.917 175.810 174.900 -0.011 0.000 1.265 446 G CA 0.978 46.075 45.100 -0.007 0.000 0.804 446 G HN 1.022 nan 8.290 nan 0.000 0.579 447 D N 0.126 120.523 120.400 -0.004 0.000 2.351 447 D HA 0.132 4.776 4.640 0.007 0.000 0.216 447 D C 1.799 178.085 176.300 -0.024 0.000 0.968 447 D CA 1.136 55.134 54.000 -0.004 0.000 0.899 447 D CB -0.916 39.892 40.800 0.013 0.000 0.907 447 D HN 0.867 nan 8.370 nan 0.000 0.514 448 G N -0.818 107.950 108.800 -0.052 0.000 2.176 448 G HA2 -0.147 3.817 3.960 0.007 0.000 0.252 448 G HA3 -0.147 3.817 3.960 0.007 0.000 0.252 448 G C 0.386 175.198 174.900 -0.146 0.000 1.024 448 G CA 0.744 45.784 45.100 -0.101 0.000 0.755 448 G HN 0.869 nan 8.290 nan 0.000 0.507 449 K N -1.361 118.974 120.400 -0.108 0.000 2.211 449 K HA 0.888 5.212 4.320 0.007 0.000 0.237 449 K C 0.731 177.247 176.600 -0.141 0.000 1.002 449 K CA -0.022 56.214 56.287 -0.086 0.000 0.885 449 K CB 0.674 33.195 32.500 0.035 0.000 1.136 449 K HN 0.186 nan 8.250 nan 0.000 0.448 450 Y N 0.145 120.473 120.300 0.046 0.000 2.226 450 Y HA 0.351 4.906 4.550 0.007 0.000 0.275 450 Y C 1.551 177.508 175.900 0.096 0.000 1.087 450 Y CA 1.281 59.411 58.100 0.050 0.000 1.086 450 Y CB 0.738 39.225 38.460 0.045 0.000 1.026 450 Y HN 0.743 nan 8.280 nan 0.000 0.484 451 G N -0.482 108.518 108.800 0.333 0.000 3.411 451 G HA2 0.547 4.512 3.960 0.007 0.000 0.298 451 G HA3 0.547 4.512 3.960 0.007 0.000 0.298 451 G C -1.520 173.616 174.900 0.394 0.000 3.379 451 G CA 0.048 45.355 45.100 0.345 0.000 0.608 451 G HN 0.440 nan 8.290 nan 0.000 0.292 452 A N 1.904 124.907 122.820 0.305 0.000 2.344 452 A HA 0.990 5.315 4.320 0.007 0.000 0.307 452 A C -0.139 177.375 177.584 -0.116 0.000 1.151 452 A CA -1.048 51.066 52.037 0.127 0.000 0.842 452 A CB 1.734 20.774 19.000 0.066 0.000 1.350 452 A HN 0.708 nan 8.150 nan 0.000 0.459 453 R N 0.918 121.195 120.500 -0.372 0.000 2.468 453 R HA 0.227 4.571 4.340 0.007 0.000 0.302 453 R C -1.498 174.600 176.300 -0.337 0.000 1.041 453 R CA -0.533 55.176 56.100 -0.651 0.000 0.899 453 R CB 0.838 30.408 30.300 -1.216 0.000 1.167 453 R HN 0.826 nan 8.270 nan 0.000 0.483 454 D N 3.501 123.768 120.400 -0.222 0.000 2.472 454 D HA -0.013 4.631 4.640 0.007 0.000 0.248 454 D C 1.009 177.225 176.300 -0.140 0.000 1.174 454 D CA 0.496 54.416 54.000 -0.133 0.000 0.883 454 D CB 1.493 42.244 40.800 -0.082 0.000 1.149 454 D HN 0.654 nan 8.370 nan 0.000 0.488 455 A N 4.837 127.591 122.820 -0.109 0.000 1.883 455 A HA -0.235 4.089 4.320 0.007 0.000 0.217 455 A C 1.727 179.269 177.584 -0.070 0.000 1.186 455 A CA 1.639 53.621 52.037 -0.092 0.000 0.624 455 A CB -0.220 18.741 19.000 -0.066 0.000 0.822 455 A HN 0.627 nan 8.150 nan 0.000 0.444 456 D N -0.439 119.928 120.400 -0.055 0.000 2.077 456 D HA -0.110 4.534 4.640 0.007 0.000 0.197 456 D C 2.348 178.624 176.300 -0.039 0.000 0.983 456 D CA 2.540 56.517 54.000 -0.040 0.000 0.841 456 D CB -1.102 39.680 40.800 -0.031 0.000 0.992 456 D HN 0.567 nan 8.370 nan 0.000 0.450 457 T N -2.134 112.395 114.554 -0.041 0.000 3.007 457 T HA 0.016 4.370 4.350 0.007 0.000 0.270 457 T C 1.335 176.013 174.700 -0.037 0.000 1.107 457 T CA 2.149 64.229 62.100 -0.034 0.000 1.118 457 T CB -0.659 68.190 68.868 -0.031 0.000 0.889 457 T HN 0.403 nan 8.240 nan 0.000 0.506 458 K N 0.211 120.569 120.400 -0.070 0.000 3.069 458 K HA -0.134 4.191 4.320 0.007 0.000 0.267 458 K C 0.164 176.715 176.600 -0.083 0.000 1.082 458 K CA 1.520 57.748 56.287 -0.099 0.000 0.782 458 K CB -2.964 29.511 32.500 -0.042 0.000 1.230 458 K HN 0.814 nan 8.250 nan 0.000 0.488 459 I N -0.670 119.855 120.570 -0.074 0.000 2.412 459 I HA 0.575 4.749 4.170 0.007 0.000 0.296 459 I C 0.666 176.800 176.117 0.028 0.000 0.987 459 I CA -1.233 60.102 61.300 0.059 0.000 1.180 459 I CB 1.464 39.492 38.000 0.046 0.000 1.340 459 I HN 0.362 nan 8.210 nan 0.000 0.455 460 W N 5.734 127.195 121.300 0.268 0.000 2.261 460 W HA 0.238 4.902 4.660 0.007 0.000 0.323 460 W C 0.344 176.992 176.519 0.215 0.000 1.243 460 W CA -0.038 57.414 57.345 0.180 0.000 1.210 460 W CB 0.564 30.055 29.460 0.051 0.000 1.149 460 W HN 0.496 nan 8.180 nan 0.000 0.562 461 N N 1.351 120.269 118.700 0.364 0.000 2.453 461 N HA 0.766 5.511 4.740 0.007 0.000 0.290 461 N C 0.330 175.967 175.510 0.211 0.000 1.250 461 N CA -0.050 53.144 53.050 0.240 0.000 0.815 461 N CB 0.910 39.480 38.487 0.139 0.000 1.381 461 N HN 0.727 nan 8.380 nan 0.000 0.510 462 G N -0.128 108.751 108.800 0.131 0.000 2.562 462 G HA2 -0.305 3.660 3.960 0.007 0.000 0.250 462 G HA3 -0.305 3.660 3.960 0.007 0.000 0.250 462 G C 0.666 175.604 174.900 0.063 0.000 1.269 462 G CA 0.491 45.636 45.100 0.075 0.000 0.919 462 G HN 0.636 nan 8.290 nan 0.000 0.574 463 M N -0.633 118.984 119.600 0.028 0.000 2.086 463 M HA -0.081 4.404 4.480 0.007 0.000 0.261 463 M C 2.822 179.110 176.300 -0.020 0.000 1.067 463 M CA 2.172 57.470 55.300 -0.004 0.000 1.116 463 M CB -0.662 31.930 32.600 -0.014 0.000 1.348 463 M HN 0.379 nan 8.290 nan 0.000 0.407 464 V N 0.613 120.531 119.914 0.007 0.000 2.453 464 V HA -0.244 3.881 4.120 0.007 0.000 0.252 464 V C 2.515 178.512 176.094 -0.163 0.000 1.068 464 V CA 2.173 64.409 62.300 -0.106 0.000 1.070 464 V CB -1.714 30.081 31.823 -0.046 0.000 0.664 464 V HN 0.672 nan 8.190 nan 0.000 0.461 465 G N -0.606 108.216 108.800 0.037 0.000 2.414 465 G HA2 -0.198 3.766 3.960 0.007 0.000 0.215 465 G HA3 -0.198 3.766 3.960 0.007 0.000 0.215 465 G C 1.402 176.321 174.900 0.031 0.000 1.188 465 G CA 0.619 45.780 45.100 0.103 0.000 0.783 465 G HN 0.556 nan 8.290 nan 0.000 0.537 466 E N 0.017 120.258 120.200 0.068 0.000 2.331 466 E HA -0.026 4.329 4.350 0.007 0.000 0.199 466 E C 2.406 178.982 176.600 -0.039 0.000 1.008 466 E CA 0.212 56.645 56.400 0.055 0.000 0.843 466 E CB -0.083 29.633 29.700 0.027 0.000 0.761 466 E HN 0.417 nan 8.360 nan 0.000 0.507 467 L N -0.142 120.999 121.223 -0.137 0.000 2.102 467 L HA -0.093 4.252 4.340 0.007 0.000 0.202 467 L C 2.316 179.032 176.870 -0.257 0.000 1.076 467 L CA 0.477 55.201 54.840 -0.194 0.000 0.761 467 L CB -0.112 41.799 42.059 -0.246 0.000 0.921 467 L HN 0.011 nan 8.230 nan 0.000 0.444 468 V N -1.235 118.423 119.914 -0.426 0.000 2.626 468 V HA -0.243 3.881 4.120 0.007 0.000 0.252 468 V C 1.389 177.214 176.094 -0.448 0.000 1.067 468 V CA 1.403 63.370 62.300 -0.555 0.000 1.081 468 V CB -0.635 30.661 31.823 -0.879 0.000 0.686 468 V HN 0.379 nan 8.190 nan 0.000 0.468 469 Y N 0.214 120.492 120.300 -0.037 0.000 2.524 469 Y HA 0.533 5.087 4.550 0.007 0.000 0.266 469 Y C 1.806 177.694 175.900 -0.021 0.000 1.180 469 Y CA -0.329 57.764 58.100 -0.012 0.000 1.244 469 Y CB -0.200 38.268 38.460 0.014 0.000 1.125 469 Y HN 0.251 nan 8.280 nan 0.000 0.524 470 G N -0.104 108.719 108.800 0.039 0.000 2.153 470 G HA2 -0.428 3.537 3.960 0.007 0.000 0.252 470 G HA3 -0.428 3.537 3.960 0.007 0.000 0.252 470 G C 1.314 176.226 174.900 0.019 0.000 0.994 470 G CA 0.796 45.903 45.100 0.012 0.000 0.698 470 G HN 0.522 nan 8.290 nan 0.000 0.521 471 K N -1.391 119.031 120.400 0.036 0.000 2.167 471 K HA 0.741 5.066 4.320 0.007 0.000 0.203 471 K C 1.406 178.006 176.600 -0.001 0.000 1.052 471 K CA 2.233 58.537 56.287 0.029 0.000 0.956 471 K CB 0.048 32.579 32.500 0.052 0.000 0.735 471 K HN 2.172 nan 8.250 nan 0.000 0.451 472 A N 0.087 122.892 122.820 -0.024 0.000 2.479 472 A HA 0.597 4.921 4.320 0.007 0.000 0.296 472 A C -0.609 176.932 177.584 -0.071 0.000 1.121 472 A CA -0.116 51.895 52.037 -0.043 0.000 0.743 472 A CB 1.349 20.319 19.000 -0.049 0.000 1.323 472 A HN 0.084 nan 8.150 nan 0.000 0.415 473 D N -0.332 120.019 120.400 -0.083 0.000 2.355 473 D HA 0.260 4.904 4.640 0.007 0.000 0.206 473 D C 0.059 176.271 176.300 -0.147 0.000 1.010 473 D CA 1.070 55.000 54.000 -0.117 0.000 0.875 473 D CB 0.708 41.430 40.800 -0.131 0.000 0.966 473 D HN 0.442 nan 8.370 nan 0.000 0.512 474 I N -0.456 120.034 120.570 -0.133 0.000 2.882 474 I HA 0.452 4.627 4.170 0.007 0.000 0.298 474 I C -2.007 174.040 176.117 -0.116 0.000 1.462 474 I CA -0.926 60.289 61.300 -0.142 0.000 1.000 474 I CB 2.063 39.968 38.000 -0.159 0.000 1.340 474 I HN -0.198 nan 8.210 nan 0.000 0.462 475 A N 7.790 130.539 122.820 -0.118 0.000 2.323 475 A HA 0.709 5.034 4.320 0.007 0.000 0.305 475 A C -1.003 176.543 177.584 -0.062 0.000 1.275 475 A CA -0.371 51.613 52.037 -0.089 0.000 0.804 475 A CB 0.373 19.319 19.000 -0.089 0.000 1.152 475 A HN 0.530 nan 8.150 nan 0.000 0.487 476 I N 2.844 123.367 120.570 -0.079 0.000 2.412 476 I HA 0.577 4.751 4.170 0.007 0.000 0.279 476 I C 0.372 176.447 176.117 -0.070 0.000 1.063 476 I CA 0.138 61.379 61.300 -0.098 0.000 1.193 476 I CB 0.879 38.781 38.000 -0.164 0.000 1.370 476 I HN 0.739 nan 8.210 nan 0.000 0.479 477 A N 6.851 129.675 122.820 0.006 0.000 2.564 477 A HA 0.708 5.032 4.320 0.007 0.000 0.291 477 A C -2.759 174.840 177.584 0.025 0.000 1.102 477 A CA -1.084 50.953 52.037 -0.001 0.000 0.660 477 A CB 1.062 20.046 19.000 -0.026 0.000 1.283 477 A HN 0.301 nan 8.150 nan 0.000 0.430 478 P HA 0.254 nan 4.420 nan 0.000 0.232 478 P C -0.657 176.251 177.300 -0.653 0.000 1.738 478 P CA 0.110 62.600 63.100 -1.017 0.000 0.948 478 P CB -0.481 30.222 31.700 -1.662 0.000 1.943 479 L N 1.354 122.560 121.223 -0.028 0.000 2.315 479 L HA 0.230 4.574 4.340 0.007 0.000 0.283 479 L C 0.235 177.253 176.870 0.247 0.000 1.089 479 L CA 0.346 55.297 54.840 0.184 0.000 0.833 479 L CB 0.071 42.342 42.059 0.354 0.000 1.170 479 L HN -0.008 nan 8.230 nan 0.000 0.442 480 T N 6.357 120.988 114.554 0.128 0.000 2.916 480 T HA 0.254 4.609 4.350 0.007 0.000 0.303 480 T C 0.616 175.091 174.700 -0.375 0.000 1.025 480 T CA 0.086 62.158 62.100 -0.046 0.000 1.142 480 T CB 0.111 68.913 68.868 -0.110 0.000 0.947 480 T HN 0.397 nan 8.240 nan 0.000 0.544 481 I N 4.562 124.774 120.570 -0.595 0.000 2.278 481 I HA 0.159 4.333 4.170 0.007 0.000 0.296 481 I C 1.142 176.930 176.117 -0.549 0.000 1.121 481 I CA -0.389 60.300 61.300 -1.018 0.000 1.267 481 I CB -0.349 37.190 38.000 -0.768 0.000 1.447 481 I HN 0.690 nan 8.210 nan 0.000 0.509 482 T N 2.139 116.444 114.554 -0.414 0.000 2.940 482 T HA 0.308 4.663 4.350 0.007 0.000 0.288 482 T C 0.716 175.378 174.700 -0.063 0.000 1.033 482 T CA -0.879 61.123 62.100 -0.164 0.000 1.033 482 T CB 2.346 71.178 68.868 -0.061 0.000 1.079 482 T HN 0.336 nan 8.240 nan 0.000 0.496 483 L N 2.947 124.154 121.223 -0.027 0.000 2.046 483 L HA -0.033 4.312 4.340 0.007 0.000 0.208 483 L C 2.593 179.511 176.870 0.080 0.000 1.077 483 L CA 2.349 57.199 54.840 0.017 0.000 0.747 483 L CB -1.021 41.041 42.059 0.005 0.000 0.896 483 L HN 0.780 nan 8.230 nan 0.000 0.432 484 V N -2.564 117.418 119.914 0.113 0.000 2.594 484 V HA -0.209 3.916 4.120 0.007 0.000 0.253 484 V C 2.464 178.755 176.094 0.327 0.000 1.069 484 V CA 1.930 64.361 62.300 0.218 0.000 1.082 484 V CB -0.979 30.977 31.823 0.222 0.000 0.680 484 V HN 0.507 nan 8.190 nan 0.000 0.469 485 R N 0.096 120.740 120.500 0.240 0.000 2.128 485 R HA 0.101 4.445 4.340 0.007 0.000 0.211 485 R C 2.298 178.682 176.300 0.140 0.000 1.067 485 R CA 0.886 57.082 56.100 0.161 0.000 1.010 485 R CB -0.262 30.246 30.300 0.346 0.000 0.922 485 R HN 0.535 nan 8.270 nan 0.000 0.457 486 E N 1.606 121.938 120.200 0.219 0.000 2.333 486 E HA -0.182 4.172 4.350 0.007 0.000 0.198 486 E C 1.128 177.767 176.600 0.064 0.000 1.007 486 E CA 1.257 57.774 56.400 0.194 0.000 0.845 486 E CB 0.133 29.921 29.700 0.146 0.000 0.766 486 E HN 0.335 nan 8.360 nan 0.000 0.507 487 E N -0.918 119.312 120.200 0.050 0.000 2.158 487 E HA -0.093 4.261 4.350 0.007 0.000 0.191 487 E C 1.975 178.558 176.600 -0.029 0.000 0.982 487 E CA 1.236 57.654 56.400 0.030 0.000 0.823 487 E CB 0.271 30.018 29.700 0.079 0.000 0.766 487 E HN 0.374 nan 8.360 nan 0.000 0.468 488 V N -0.825 119.017 119.914 -0.120 0.000 3.085 488 V HA 0.208 4.332 4.120 0.007 0.000 0.245 488 V C 1.104 177.016 176.094 -0.303 0.000 1.114 488 V CA 0.042 62.191 62.300 -0.251 0.000 1.108 488 V CB -0.372 31.134 31.823 -0.529 0.000 0.798 488 V HN 0.145 nan 8.190 nan 0.000 0.471 489 I N -2.208 118.178 120.570 -0.307 0.000 3.445 489 I HA 0.744 4.918 4.170 0.007 0.000 0.303 489 I C -1.511 174.449 176.117 -0.262 0.000 1.129 489 I CA -0.908 60.191 61.300 -0.335 0.000 0.989 489 I CB 2.064 39.772 38.000 -0.487 0.000 1.314 489 I HN -0.144 nan 8.210 nan 0.000 0.488 490 D N 1.456 121.672 120.400 -0.306 0.000 2.278 490 D HA 0.504 5.148 4.640 0.007 0.000 0.245 490 D C -1.423 174.699 176.300 -0.298 0.000 1.052 490 D CA 0.189 54.071 54.000 -0.197 0.000 0.834 490 D CB 1.826 42.549 40.800 -0.128 0.000 1.194 490 D HN 0.283 nan 8.370 nan 0.000 0.481 491 F N 1.260 121.189 119.950 -0.034 0.000 2.427 491 F HA 0.229 4.760 4.527 0.008 0.000 0.346 491 F C 1.238 177.043 175.800 0.008 0.000 1.120 491 F CA -0.758 57.238 58.000 -0.008 0.000 1.033 491 F CB 1.273 40.268 39.000 -0.008 0.000 1.126 491 F HN 0.130 nan 8.300 nan 0.000 0.462 492 S N 3.225 119.049 115.700 0.205 0.000 2.596 492 S HA 0.295 4.769 4.470 0.007 0.000 0.260 492 S C 0.133 174.835 174.600 0.169 0.000 1.336 492 S CA -1.074 57.217 58.200 0.151 0.000 0.993 492 S CB 0.533 63.811 63.200 0.131 0.000 0.923 492 S HN 0.384 nan 8.310 nan 0.000 0.567 493 K N 1.397 121.866 120.400 0.115 0.000 2.440 493 K HA 0.191 4.516 4.320 0.007 0.000 0.270 493 K C -2.511 174.156 176.600 0.112 0.000 0.980 493 K CA -1.452 54.886 56.287 0.084 0.000 0.953 493 K CB -0.705 31.829 32.500 0.058 0.000 0.925 493 K HN 0.472 nan 8.250 nan 0.000 0.497 494 P HA -0.028 nan 4.420 nan 0.000 0.264 494 P C 0.129 177.456 177.300 0.044 0.000 1.193 494 P CA 0.158 63.237 63.100 -0.035 0.000 0.763 494 P CB 0.012 31.631 31.700 -0.134 0.000 0.810 495 F N 1.701 121.708 119.950 0.096 0.000 2.727 495 F HA 0.521 5.053 4.527 0.008 0.000 0.302 495 F C 0.358 176.246 175.800 0.146 0.000 1.097 495 F CA -0.370 57.709 58.000 0.131 0.000 1.330 495 F CB 0.136 39.247 39.000 0.185 0.000 1.084 495 F HN 0.121 nan 8.300 nan 0.000 0.578 496 M N 1.266 120.668 119.600 -0.330 0.000 2.437 496 M HA 0.290 4.775 4.480 0.007 0.000 0.203 496 M C -1.671 174.408 176.300 -0.368 0.000 0.957 496 M CA -0.026 55.110 55.300 -0.273 0.000 0.872 496 M CB 1.109 33.565 32.600 -0.240 0.000 2.556 496 M HN -0.076 nan 8.290 nan 0.000 0.428 497 S N 5.460 121.000 115.700 -0.266 0.000 2.545 497 S HA 0.800 5.275 4.470 0.007 0.000 0.275 497 S C -0.293 174.126 174.600 -0.301 0.000 1.299 497 S CA -0.621 57.406 58.200 -0.288 0.000 1.048 497 S CB 0.805 63.889 63.200 -0.195 0.000 0.938 497 S HN 0.647 nan 8.310 nan 0.000 0.496 498 L N 0.433 121.439 121.223 -0.361 0.000 2.441 498 L HA 1.098 5.442 4.340 0.007 0.000 0.240 498 L C -0.029 176.664 176.870 -0.295 0.000 1.145 498 L CA -0.959 53.692 54.840 -0.315 0.000 1.025 498 L CB 1.008 42.841 42.059 -0.375 0.000 1.585 498 L HN 0.731 nan 8.230 nan 0.000 0.410 499 G N -0.583 108.058 108.800 -0.265 0.000 2.341 499 G HA2 0.392 4.356 3.960 0.007 0.000 0.299 499 G HA3 0.392 4.356 3.960 0.007 0.000 0.299 499 G C -1.908 172.843 174.900 -0.248 0.000 1.274 499 G CA -0.862 44.068 45.100 -0.285 0.000 0.853 499 G HN 0.631 nan 8.290 nan 0.000 0.493 500 I N 1.967 122.355 120.570 -0.304 0.000 2.342 500 I HA 0.451 4.626 4.170 0.007 0.000 0.291 500 I C 0.752 176.804 176.117 -0.109 0.000 1.010 500 I CA -0.364 60.797 61.300 -0.232 0.000 1.308 500 I CB 1.446 39.228 38.000 -0.364 0.000 1.400 500 I HN 0.631 nan 8.210 nan 0.000 0.488 501 S N 6.559 122.228 115.700 -0.052 0.000 2.751 501 S HA 0.751 5.225 4.470 0.007 0.000 0.310 501 S C -0.615 173.987 174.600 0.003 0.000 1.128 501 S CA -0.910 57.285 58.200 -0.009 0.000 0.931 501 S CB 2.028 65.229 63.200 0.003 0.000 1.177 501 S HN 0.424 nan 8.310 nan 0.000 0.530 502 I N 1.162 121.739 120.570 0.011 0.000 2.404 502 I HA 0.438 4.613 4.170 0.007 0.000 0.293 502 I C -0.473 175.656 176.117 0.019 0.000 0.992 502 I CA -0.546 60.752 61.300 -0.003 0.000 1.149 502 I CB 1.823 39.811 38.000 -0.020 0.000 1.315 502 I HN 0.594 nan 8.210 nan 0.000 0.446 503 M N 8.147 127.765 119.600 0.031 0.000 2.243 503 M HA 0.617 5.102 4.480 0.007 0.000 0.324 503 M C -1.163 175.173 176.300 0.061 0.000 1.031 503 M CA -0.519 54.828 55.300 0.078 0.000 0.949 503 M CB 1.699 34.394 32.600 0.159 0.000 1.615 503 M HN 0.681 nan 8.290 nan 0.000 0.430 504 I N 0.163 120.767 120.570 0.056 0.000 3.264 504 I HA 0.769 4.943 4.170 0.007 0.000 0.309 504 I C -0.607 175.551 176.117 0.068 0.000 1.099 504 I CA -1.037 60.293 61.300 0.050 0.000 0.989 504 I CB 1.802 39.822 38.000 0.032 0.000 1.250 504 I HN 0.629 nan 8.210 nan 0.000 0.478 505 K N 1.921 122.362 120.400 0.068 0.000 2.263 505 K HA 0.631 4.956 4.320 0.007 0.000 0.282 505 K C 0.048 176.682 176.600 0.058 0.000 1.089 505 K CA -0.194 56.134 56.287 0.069 0.000 0.907 505 K CB -0.009 32.536 32.500 0.075 0.000 1.148 505 K HN 0.924 nan 8.250 nan 0.000 0.470 506 K N 3.041 123.474 120.400 0.054 0.000 2.485 506 K HA 0.279 4.603 4.320 0.007 0.000 0.277 506 K C -2.042 174.585 176.600 0.046 0.000 0.990 506 K CA -1.069 55.246 56.287 0.048 0.000 0.994 506 K CB -0.720 31.808 32.500 0.047 0.000 0.906 506 K HN 0.652 nan 8.250 nan 0.000 0.488 507 P HA 0.129 nan 4.420 nan 0.000 0.252 507 P C 0.373 177.697 177.300 0.039 0.000 1.183 507 P CA 0.591 63.717 63.100 0.043 0.000 0.973 507 P CB -0.100 31.625 31.700 0.042 0.000 0.990 508 Q N 2.964 122.787 119.800 0.038 0.000 2.722 508 Q HA 0.311 4.655 4.340 0.007 0.000 0.214 508 Q C 2.006 178.024 176.000 0.030 0.000 1.109 508 Q CA 1.169 56.992 55.803 0.033 0.000 1.066 508 Q CB -0.605 28.152 28.738 0.031 0.000 1.290 508 Q HN 0.387 nan 8.270 nan 0.000 0.620 509 K N -0.062 120.354 120.400 0.027 0.000 2.097 509 K HA 0.166 4.490 4.320 0.007 0.000 0.205 509 K C 2.125 178.739 176.600 0.023 0.000 1.050 509 K CA 2.093 58.395 56.287 0.025 0.000 0.938 509 K CB -0.900 31.613 32.500 0.022 0.000 0.718 509 K HN 1.583 nan 8.250 nan 0.000 0.442 510 S N 0.583 116.296 115.700 0.021 0.000 2.677 510 S HA 0.470 4.944 4.470 0.007 0.000 0.246 510 S C 0.830 175.442 174.600 0.020 0.000 1.005 510 S CA 0.376 58.587 58.200 0.018 0.000 1.062 510 S CB -0.904 62.304 63.200 0.014 0.000 0.778 510 S HN 0.747 nan 8.310 nan 0.000 0.461 511 K N 2.228 122.644 120.400 0.025 0.000 2.262 511 K HA 0.570 4.895 4.320 0.007 0.000 0.288 511 K C -1.738 174.878 176.600 0.027 0.000 1.090 511 K CA -1.308 54.997 56.287 0.029 0.000 0.918 511 K CB -0.547 31.974 32.500 0.036 0.000 1.139 511 K HN 0.382 nan 8.250 nan 0.000 0.462 512 P HA 0.183 nan 4.420 nan 0.000 0.196 512 P C 0.489 177.796 177.300 0.013 0.000 1.065 512 P CA 0.925 64.031 63.100 0.010 0.000 0.803 512 P CB -0.091 31.604 31.700 -0.009 0.000 0.673 513 G N -0.570 108.222 108.800 -0.014 0.000 2.883 513 G HA2 -0.122 3.842 3.960 0.007 0.000 0.219 513 G HA3 -0.122 3.842 3.960 0.007 0.000 0.219 513 G C 0.483 175.349 174.900 -0.057 0.000 0.908 513 G CA -0.065 45.021 45.100 -0.023 0.000 0.978 513 G HN 0.200 nan 8.290 nan 0.000 0.365 514 V N 2.692 122.479 119.914 -0.211 0.000 3.186 514 V HA -0.111 4.013 4.120 0.007 0.000 0.270 514 V C 2.288 178.343 176.094 -0.065 0.000 1.149 514 V CA 1.742 63.934 62.300 -0.180 0.000 1.160 514 V CB -0.743 30.897 31.823 -0.304 0.000 0.758 514 V HN 0.638 nan 8.190 nan 0.000 0.516 515 F N 1.074 121.072 119.950 0.080 0.000 2.802 515 F HA 0.019 4.550 4.527 0.007 0.000 0.300 515 F C 2.320 178.151 175.800 0.052 0.000 1.168 515 F CA 0.662 58.720 58.000 0.095 0.000 1.433 515 F CB -0.752 38.307 39.000 0.100 0.000 1.115 515 F HN 0.309 nan 8.300 nan 0.000 0.582 516 S N -1.840 113.971 115.700 0.184 0.000 2.575 516 S HA -0.031 4.444 4.470 0.007 0.000 0.215 516 S C 1.502 176.152 174.600 0.083 0.000 0.966 516 S CA -0.090 58.145 58.200 0.060 0.000 0.911 516 S CB -0.832 62.386 63.200 0.029 0.000 0.780 516 S HN 0.352 nan 8.310 nan 0.000 0.514 517 F N 1.461 121.428 119.950 0.029 0.000 2.622 517 F HA 0.485 5.016 4.527 0.007 0.000 0.288 517 F C 1.284 177.162 175.800 0.130 0.000 1.120 517 F CA 0.016 58.068 58.000 0.088 0.000 1.423 517 F CB 0.178 39.216 39.000 0.064 0.000 1.127 517 F HN 0.105 nan 8.300 nan 0.000 0.588 518 L N -0.023 121.230 121.223 0.050 0.000 2.558 518 L HA 0.035 4.379 4.340 0.007 0.000 0.225 518 L C 1.292 178.028 176.870 -0.224 0.000 1.128 518 L CA 0.235 54.972 54.840 -0.172 0.000 0.868 518 L CB -0.502 41.425 42.059 -0.220 0.000 1.006 518 L HN 0.025 nan 8.230 nan 0.000 0.454 519 D N 0.346 120.683 120.400 -0.106 0.000 2.110 519 D HA -0.050 4.594 4.640 0.007 0.000 0.202 519 D C -0.308 175.935 176.300 -0.094 0.000 0.975 519 D CA 0.889 54.822 54.000 -0.112 0.000 0.839 519 D CB -1.323 39.370 40.800 -0.179 0.000 0.996 519 D HN 0.108 nan 8.370 nan 0.000 0.464 520 P HA -0.122 nan 4.420 nan 0.000 0.213 520 P C 0.550 177.876 177.300 0.043 0.000 1.176 520 P CA 0.815 63.968 63.100 0.087 0.000 0.919 520 P CB 0.229 31.898 31.700 -0.051 0.000 0.791 521 L N -0.749 120.472 121.223 -0.004 0.000 2.257 521 L HA 0.511 4.855 4.340 0.007 0.000 0.290 521 L C -0.031 176.716 176.870 -0.204 0.000 1.044 521 L CA -1.150 53.530 54.840 -0.266 0.000 0.810 521 L CB 0.724 42.304 42.059 -0.798 0.000 1.193 521 L HN -0.059 nan 8.230 nan 0.000 0.425 522 A N 4.072 126.803 122.820 -0.149 0.000 2.520 522 A HA 0.015 4.339 4.320 0.007 0.000 0.235 522 A C 0.395 178.048 177.584 0.115 0.000 1.065 522 A CA 0.245 52.283 52.037 0.001 0.000 0.764 522 A CB 0.048 19.077 19.000 0.049 0.000 1.002 522 A HN 0.824 nan 8.150 nan 0.000 0.502 523 Y N 0.626 121.077 120.300 0.251 0.000 2.256 523 Y HA -0.213 4.341 4.550 0.007 0.000 0.288 523 Y C 2.176 178.222 175.900 0.244 0.000 1.155 523 Y CA 2.204 60.487 58.100 0.305 0.000 1.203 523 Y CB -0.338 38.231 38.460 0.181 0.000 0.980 523 Y HN 0.794 nan 8.280 nan 0.000 0.530 524 E N 0.050 120.437 120.200 0.312 0.000 2.150 524 E HA -0.123 4.231 4.350 0.007 0.000 0.193 524 E C 2.036 178.744 176.600 0.179 0.000 0.985 524 E CA 1.211 57.742 56.400 0.217 0.000 0.814 524 E CB -0.329 29.459 29.700 0.146 0.000 0.752 524 E HN 0.507 nan 8.360 nan 0.000 0.466 525 I N -1.183 119.441 120.570 0.090 0.000 2.406 525 I HA -0.145 4.030 4.170 0.007 0.000 0.249 525 I C 1.683 177.801 176.117 0.001 0.000 1.122 525 I CA 0.725 62.013 61.300 -0.020 0.000 1.431 525 I CB -0.330 37.549 38.000 -0.203 0.000 1.087 525 I HN 0.176 nan 8.210 nan 0.000 0.424 526 W N 0.559 121.897 121.300 0.064 0.000 2.350 526 W HA -0.187 4.477 4.660 0.007 0.000 0.289 526 W C 2.622 179.201 176.519 0.101 0.000 1.215 526 W CA 0.498 57.872 57.345 0.049 0.000 1.236 526 W CB -0.230 29.234 29.460 0.008 0.000 1.130 526 W HN 0.046 nan 8.180 nan 0.000 0.541 527 M N -0.977 118.850 119.600 0.379 0.000 2.064 527 M HA -0.177 4.307 4.480 0.007 0.000 0.260 527 M C 2.018 178.609 176.300 0.485 0.000 1.073 527 M CA 1.370 56.892 55.300 0.368 0.000 1.124 527 M CB -1.848 31.024 32.600 0.453 0.000 1.326 527 M HN 0.024 nan 8.290 nan 0.000 0.410 528 C N 0.359 119.934 119.300 0.457 0.000 2.413 528 C HA -0.126 4.339 4.460 0.007 0.000 0.277 528 C C 2.817 178.052 174.990 0.408 0.000 1.265 528 C CA 0.463 59.749 59.018 0.446 0.000 1.752 528 C CB -1.100 26.797 27.740 0.262 0.000 1.998 528 C HN 0.540 nan 8.230 nan 0.000 0.489 529 I N 0.397 121.177 120.570 0.350 0.000 2.614 529 I HA -0.118 4.056 4.170 0.007 0.000 0.258 529 I C 2.019 178.394 176.117 0.429 0.000 1.189 529 I CA 1.267 62.813 61.300 0.410 0.000 1.462 529 I CB 0.089 38.252 38.000 0.272 0.000 1.092 529 I HN 0.156 nan 8.210 nan 0.000 0.442 530 V N 0.146 120.233 119.914 0.289 0.000 2.599 530 V HA -0.156 3.968 4.120 0.007 0.000 0.245 530 V C 1.960 178.130 176.094 0.126 0.000 1.046 530 V CA 1.322 63.706 62.300 0.139 0.000 1.065 530 V CB -0.508 31.268 31.823 -0.077 0.000 0.703 530 V HN 0.281 nan 8.190 nan 0.000 0.464 531 F N 1.001 121.071 119.950 0.200 0.000 2.146 531 F HA -0.112 4.420 4.527 0.007 0.000 0.298 531 F C 2.465 178.342 175.800 0.129 0.000 1.096 531 F CA 1.517 59.603 58.000 0.144 0.000 1.275 531 F CB -0.547 38.519 39.000 0.110 0.000 1.008 531 F HN 0.116 nan 8.300 nan 0.000 0.480 532 A N -1.187 121.841 122.820 0.346 0.000 2.014 532 A HA -0.201 4.123 4.320 0.007 0.000 0.218 532 A C 1.916 179.573 177.584 0.122 0.000 1.163 532 A CA 1.008 53.172 52.037 0.211 0.000 0.652 532 A CB -1.257 17.845 19.000 0.171 0.000 0.808 532 A HN 0.546 nan 8.150 nan 0.000 0.449 533 Y N 1.476 121.850 120.300 0.124 0.000 2.114 533 Y HA -0.222 4.333 4.550 0.007 0.000 0.284 533 Y C 2.026 177.797 175.900 -0.215 0.000 1.143 533 Y CA 2.218 60.277 58.100 -0.069 0.000 1.135 533 Y CB -0.241 38.314 38.460 0.159 0.000 0.980 533 Y HN 0.395 nan 8.280 nan 0.000 0.499 534 I N -1.797 118.820 120.570 0.078 0.000 2.830 534 I HA 0.111 4.286 4.170 0.007 0.000 0.263 534 I C 2.128 178.187 176.117 -0.097 0.000 1.230 534 I CA 1.323 62.598 61.300 -0.041 0.000 1.480 534 I CB -0.895 37.146 38.000 0.068 0.000 1.095 534 I HN 0.241 nan 8.210 nan 0.000 0.455 535 G N 1.162 109.926 108.800 -0.061 0.000 2.534 535 G HA2 -0.022 3.943 3.960 0.007 0.000 0.217 535 G HA3 -0.022 3.943 3.960 0.007 0.000 0.217 535 G C 1.472 176.283 174.900 -0.147 0.000 1.128 535 G CA 0.835 45.904 45.100 -0.052 0.000 0.784 535 G HN 0.356 nan 8.290 nan 0.000 0.542 536 V N 1.142 120.863 119.914 -0.322 0.000 2.795 536 V HA -0.052 4.072 4.120 0.007 0.000 0.243 536 V C 2.954 178.837 176.094 -0.352 0.000 1.069 536 V CA 1.666 63.726 62.300 -0.400 0.000 1.089 536 V CB 0.308 31.666 31.823 -0.774 0.000 0.756 536 V HN 0.511 nan 8.190 nan 0.000 0.471 537 S N -0.360 115.093 115.700 -0.412 0.000 2.474 537 S HA -0.087 4.387 4.470 0.007 0.000 0.235 537 S C 1.792 176.319 174.600 -0.122 0.000 0.997 537 S CA 1.399 59.420 58.200 -0.297 0.000 0.949 537 S CB 0.150 63.129 63.200 -0.369 0.000 0.766 537 S HN 0.324 nan 8.310 nan 0.000 0.517 538 V N 0.653 120.510 119.914 -0.094 0.000 2.825 538 V HA 0.091 4.216 4.120 0.007 0.000 0.246 538 V C 2.153 178.298 176.094 0.084 0.000 1.068 538 V CA 0.882 63.193 62.300 0.018 0.000 1.088 538 V CB 0.079 31.896 31.823 -0.011 0.000 0.733 538 V HN 0.432 nan 8.190 nan 0.000 0.468 539 V N 0.390 120.301 119.914 -0.004 0.000 2.358 539 V HA -0.188 3.937 4.120 0.007 0.000 0.246 539 V C 2.379 178.468 176.094 -0.009 0.000 1.047 539 V CA 2.252 64.548 62.300 -0.007 0.000 1.035 539 V CB -0.438 31.361 31.823 -0.040 0.000 0.658 539 V HN 0.483 nan 8.190 nan 0.000 0.452 540 L N -1.090 120.116 121.223 -0.028 0.000 2.141 540 L HA -0.158 4.187 4.340 0.007 0.000 0.209 540 L C 2.350 179.230 176.870 0.017 0.000 1.094 540 L CA 1.532 56.357 54.840 -0.026 0.000 0.763 540 L CB -0.612 41.412 42.059 -0.060 0.000 0.908 540 L HN 0.386 nan 8.230 nan 0.000 0.437 541 F N 0.681 120.581 119.950 -0.083 0.000 2.269 541 F HA -0.157 4.374 4.527 0.007 0.000 0.301 541 F C 1.903 177.674 175.800 -0.048 0.000 1.082 541 F CA 1.302 59.264 58.000 -0.064 0.000 1.360 541 F CB -0.083 38.878 39.000 -0.064 0.000 1.041 541 F HN -0.079 nan 8.300 nan 0.000 0.512 542 L N -0.945 120.191 121.223 -0.145 0.000 2.492 542 L HA -0.040 4.304 4.340 0.007 0.000 0.223 542 L C 2.021 178.782 176.870 -0.182 0.000 1.132 542 L CA -0.019 54.693 54.840 -0.214 0.000 0.850 542 L CB -0.409 41.612 42.059 -0.064 0.000 0.966 542 L HN 0.014 nan 8.230 nan 0.000 0.454 543 V N -0.761 119.069 119.914 -0.140 0.000 2.302 543 V HA -0.127 3.998 4.120 0.007 0.000 0.243 543 V C 1.753 177.773 176.094 -0.123 0.000 1.036 543 V CA 1.197 63.435 62.300 -0.103 0.000 1.020 543 V CB -0.356 31.427 31.823 -0.066 0.000 0.657 543 V HN 0.566 nan 8.190 nan 0.000 0.453 569 N N 1.391 120.099 118.700 0.014 0.000 2.216 569 N HA 0.246 4.991 4.740 0.007 0.000 0.183 569 N C 2.196 177.718 175.510 0.019 0.000 1.017 569 N CA 2.504 55.567 53.050 0.021 0.000 0.861 569 N CB -0.926 37.565 38.487 0.006 0.000 0.986 569 N HN 0.943 nan 8.380 nan 0.000 0.428 570 E N -0.681 119.520 120.200 0.003 0.000 2.152 570 E HA 0.182 4.536 4.350 0.007 0.000 0.192 570 E C 2.216 178.824 176.600 0.014 0.000 0.983 570 E CA 1.289 57.684 56.400 -0.008 0.000 0.818 570 E CB -1.641 28.044 29.700 -0.025 0.000 0.758 570 E HN 1.055 nan 8.360 nan 0.000 0.467 571 F N 1.237 121.200 119.950 0.022 0.000 2.269 571 F HA 0.280 4.811 4.527 0.007 0.000 0.301 571 F C 2.692 178.542 175.800 0.083 0.000 1.082 571 F CA 1.575 59.593 58.000 0.031 0.000 1.360 571 F CB -0.985 38.022 39.000 0.012 0.000 1.041 571 F HN 0.450 nan 8.300 nan 0.000 0.512 572 G N -0.253 108.625 108.800 0.131 0.000 2.551 572 G HA2 0.202 4.166 3.960 0.007 0.000 0.216 572 G HA3 0.202 4.166 3.960 0.007 0.000 0.216 572 G C 1.740 176.789 174.900 0.248 0.000 1.137 572 G CA 1.421 46.718 45.100 0.328 0.000 0.798 572 G HN 0.937 nan 8.290 nan 0.000 0.536 573 I N 0.017 120.634 120.570 0.079 0.000 2.333 573 I HA 0.355 4.530 4.170 0.007 0.000 0.246 573 I C 2.876 178.996 176.117 0.005 0.000 1.106 573 I CA 1.900 63.196 61.300 -0.007 0.000 1.411 573 I CB -1.574 36.404 38.000 -0.037 0.000 1.082 573 I HN 0.338 nan 8.210 nan 0.000 0.420 574 F N 1.541 121.506 119.950 0.026 0.000 2.216 574 F HA -0.117 4.415 4.527 0.007 0.000 0.300 574 F C 2.553 178.383 175.800 0.050 0.000 1.085 574 F CA 2.768 60.780 58.000 0.020 0.000 1.326 574 F CB -2.037 36.970 39.000 0.012 0.000 1.027 574 F HN 0.666 nan 8.300 nan 0.000 0.497 575 N N 0.387 119.155 118.700 0.114 0.000 2.207 575 N HA 0.034 4.778 4.740 0.007 0.000 0.182 575 N C 2.294 177.928 175.510 0.206 0.000 1.020 575 N CA 1.986 55.139 53.050 0.171 0.000 0.858 575 N CB -1.351 37.269 38.487 0.222 0.000 0.991 575 N HN 0.861 nan 8.380 nan 0.000 0.427 576 S N -0.092 115.694 115.700 0.143 0.000 2.419 576 S HA 0.320 4.794 4.470 0.007 0.000 0.233 576 S C 2.416 176.971 174.600 -0.074 0.000 1.016 576 S CA 1.931 60.055 58.200 -0.126 0.000 0.974 576 S CB -0.818 62.102 63.200 -0.466 0.000 0.786 576 S HN 1.152 nan 8.310 nan 0.000 0.492 577 L N -1.698 119.508 121.223 -0.028 0.000 2.341 577 L HA 0.397 4.741 4.340 0.007 0.000 0.214 577 L C 2.679 179.549 176.870 -0.000 0.000 1.115 577 L CA 1.605 56.434 54.840 -0.019 0.000 0.820 577 L CB -2.348 39.700 42.059 -0.017 0.000 0.944 577 L HN 0.889 nan 8.230 nan 0.000 0.452 578 W N -1.896 119.413 121.300 0.015 0.000 2.494 578 W HA 0.236 4.901 4.660 0.007 0.000 0.286 578 W C 2.525 179.048 176.519 0.007 0.000 1.218 578 W CA 1.855 59.210 57.345 0.017 0.000 1.313 578 W CB -0.922 28.554 29.460 0.026 0.000 1.105 578 W HN 0.668 nan 8.180 nan 0.000 0.561 579 F N 0.926 120.881 119.950 0.010 0.000 2.407 579 F HA 0.274 4.806 4.527 0.007 0.000 0.299 579 F C 2.417 178.160 175.800 -0.096 0.000 1.097 579 F CA 2.400 60.382 58.000 -0.030 0.000 1.422 579 F CB -1.350 37.658 39.000 0.014 0.000 1.067 579 F HN 0.483 nan 8.300 nan 0.000 0.539 580 S N 0.188 115.847 115.700 -0.067 0.000 2.461 580 S HA 0.282 4.757 4.470 0.007 0.000 0.228 580 S C 2.178 176.782 174.600 0.007 0.000 1.005 580 S CA 1.471 59.638 58.200 -0.056 0.000 0.942 580 S CB -0.912 62.282 63.200 -0.008 0.000 0.776 580 S HN 1.287 nan 8.310 nan 0.000 0.514 581 L N 0.235 121.463 121.223 0.008 0.000 2.209 581 L HA 0.495 4.839 4.340 0.007 0.000 0.207 581 L C 2.570 179.459 176.870 0.033 0.000 1.094 581 L CA 1.480 56.342 54.840 0.036 0.000 0.790 581 L CB -1.725 40.351 42.059 0.030 0.000 0.932 581 L HN 0.488 nan 8.230 nan 0.000 0.447 582 G N -1.405 107.392 108.800 -0.006 0.000 2.598 582 G HA2 0.199 4.163 3.960 0.007 0.000 0.215 582 G HA3 0.199 4.163 3.960 0.007 0.000 0.215 582 G C 1.646 176.511 174.900 -0.059 0.000 1.131 582 G CA 1.290 46.383 45.100 -0.013 0.000 0.785 582 G HN 0.845 nan 8.290 nan 0.000 0.539 583 A N 0.554 123.296 122.820 -0.130 0.000 1.859 583 A HA 0.499 4.824 4.320 0.007 0.000 0.212 583 A C 1.634 179.293 177.584 0.124 0.000 1.238 583 A CA 0.653 52.499 52.037 -0.317 0.000 0.613 583 A CB -0.945 17.583 19.000 -0.787 0.000 0.904 583 A HN 0.916 nan 8.150 nan 0.000 0.457 584 F N 0.974 121.096 119.950 0.287 0.000 2.433 584 F HA 0.401 4.932 4.527 0.007 0.000 0.398 584 F C 1.067 177.018 175.800 0.251 0.000 1.002 584 F CA 0.146 58.342 58.000 0.326 0.000 1.053 584 F CB -2.013 37.108 39.000 0.201 0.000 0.928 584 F HN 0.784 nan 8.300 nan 0.000 0.529 585 M N 2.664 122.449 119.600 0.308 0.000 2.207 585 M HA 0.703 5.187 4.480 0.007 0.000 0.311 585 M C 0.125 176.551 176.300 0.210 0.000 1.127 585 M CA 0.243 55.723 55.300 0.300 0.000 1.181 585 M CB -0.194 32.612 32.600 0.344 0.000 1.409 585 M HN 2.508 nan 8.290 nan 0.000 0.461 594 R N 0.867 121.361 120.500 -0.010 0.000 4.680 594 R HA 0.553 4.897 4.340 0.007 0.000 0.222 594 R C 0.507 176.801 176.300 -0.011 0.000 1.803 594 R CA 0.377 56.471 56.100 -0.011 0.000 1.560 594 R CB -1.601 28.692 30.300 -0.011 0.000 1.412 594 R HN 0.465 nan 8.270 nan 0.000 0.815 595 S N 0.822 116.516 115.700 -0.011 0.000 3.072 595 S HA 0.089 4.563 4.470 0.007 0.000 0.306 595 S C 1.282 175.876 174.600 -0.009 0.000 1.207 595 S CA -0.505 57.687 58.200 -0.012 0.000 1.008 595 S CB 0.469 63.660 63.200 -0.016 0.000 1.390 595 S HN 0.513 nan 8.310 nan 0.000 0.523 596 L N 3.396 124.614 121.223 -0.009 0.000 2.085 596 L HA -0.203 4.142 4.340 0.007 0.000 0.218 596 L C 2.540 179.408 176.870 -0.003 0.000 1.080 596 L CA 2.385 57.221 54.840 -0.006 0.000 0.776 596 L CB -1.317 40.737 42.059 -0.007 0.000 0.891 596 L HN 0.827 nan 8.230 nan 0.000 0.437 597 S N -0.747 114.949 115.700 -0.007 0.000 2.426 597 S HA -0.196 4.279 4.470 0.007 0.000 0.220 597 S C 1.943 176.542 174.600 -0.002 0.000 1.040 597 S CA 1.692 59.888 58.200 -0.006 0.000 1.094 597 S CB -1.127 62.065 63.200 -0.014 0.000 1.072 597 S HN 0.623 nan 8.310 nan 0.000 0.415 598 G N 0.442 109.238 108.800 -0.007 0.000 2.625 598 G HA2 0.032 3.997 3.960 0.007 0.000 0.214 598 G HA3 0.032 3.997 3.960 0.007 0.000 0.214 598 G C 1.534 176.440 174.900 0.011 0.000 1.132 598 G CA 1.071 46.169 45.100 -0.004 0.000 0.782 598 G HN 0.728 nan 8.290 nan 0.000 0.538 599 R N 1.461 121.967 120.500 0.011 0.000 2.062 599 R HA 0.090 4.435 4.340 0.007 0.000 0.231 599 R C 2.513 178.834 176.300 0.035 0.000 1.136 599 R CA 1.473 57.583 56.100 0.017 0.000 0.948 599 R CB -1.208 29.095 30.300 0.005 0.000 0.845 599 R HN 0.783 nan 8.270 nan 0.000 0.430 600 I N -1.368 119.222 120.570 0.033 0.000 2.614 600 I HA -0.076 4.098 4.170 0.007 0.000 0.258 600 I C 1.916 178.086 176.117 0.088 0.000 1.189 600 I CA 1.088 62.418 61.300 0.050 0.000 1.462 600 I CB -0.389 37.631 38.000 0.033 0.000 1.092 600 I HN 0.076 nan 8.210 nan 0.000 0.442 601 V N 2.490 122.450 119.914 0.077 0.000 2.295 601 V HA -0.158 3.967 4.120 0.007 0.000 0.246 601 V C 2.858 179.059 176.094 0.178 0.000 1.049 601 V CA 2.308 64.668 62.300 0.100 0.000 1.024 601 V CB -1.327 30.518 31.823 0.037 0.000 0.648 601 V HN 0.647 nan 8.190 nan 0.000 0.447 602 G N -0.373 108.517 108.800 0.151 0.000 2.422 602 G HA2 -0.113 3.851 3.960 0.007 0.000 0.218 602 G HA3 -0.113 3.851 3.960 0.007 0.000 0.218 602 G C 1.569 176.656 174.900 0.311 0.000 1.140 602 G CA 0.914 46.148 45.100 0.224 0.000 0.775 602 G HN 0.585 nan 8.290 nan 0.000 0.545 603 G N 0.373 109.305 108.800 0.221 0.000 2.394 603 G HA2 -0.086 3.878 3.960 0.007 0.000 0.214 603 G HA3 -0.086 3.878 3.960 0.007 0.000 0.214 603 G C 1.742 176.865 174.900 0.371 0.000 1.176 603 G CA 1.084 46.322 45.100 0.230 0.000 0.786 603 G HN 0.279 nan 8.290 nan 0.000 0.533 604 V N 0.316 120.415 119.914 0.309 0.000 2.358 604 V HA -0.129 3.996 4.120 0.007 0.000 0.246 604 V C 2.276 178.646 176.094 0.459 0.000 1.047 604 V CA 1.595 64.100 62.300 0.341 0.000 1.035 604 V CB -0.553 31.408 31.823 0.231 0.000 0.658 604 V HN 0.667 nan 8.190 nan 0.000 0.452 605 W N -0.650 120.804 121.300 0.256 0.000 2.374 605 W HA -0.248 4.417 4.660 0.007 0.000 0.288 605 W C 2.330 179.066 176.519 0.362 0.000 1.218 605 W CA 1.554 59.048 57.345 0.250 0.000 1.245 605 W CB -0.309 29.237 29.460 0.143 0.000 1.126 605 W HN 0.484 nan 8.180 nan 0.000 0.545 606 W N 0.666 122.085 121.300 0.198 0.000 2.381 606 W HA -0.220 4.444 4.660 0.007 0.000 0.301 606 W C 2.360 178.908 176.519 0.049 0.000 1.205 606 W CA 2.300 59.690 57.345 0.076 0.000 1.285 606 W CB -1.252 28.299 29.460 0.152 0.000 1.133 606 W HN -0.114 nan 8.180 nan 0.000 0.521 607 F N 0.099 120.228 119.950 0.298 0.000 2.216 607 F HA -0.165 4.366 4.527 0.007 0.000 0.300 607 F C 2.138 177.867 175.800 -0.118 0.000 1.085 607 F CA 1.925 59.974 58.000 0.081 0.000 1.326 607 F CB -0.930 38.218 39.000 0.246 0.000 1.027 607 F HN 0.010 nan 8.300 nan 0.000 0.497 608 F N 0.301 120.157 119.950 -0.158 0.000 2.084 608 F HA -0.136 4.396 4.527 0.007 0.000 0.296 608 F C 2.667 178.142 175.800 -0.542 0.000 1.111 608 F CA 2.169 59.979 58.000 -0.316 0.000 1.224 608 F CB -1.145 37.717 39.000 -0.229 0.000 0.991 608 F HN -0.038 nan 8.300 nan 0.000 0.471 609 T N 0.247 114.402 114.554 -0.665 0.000 2.915 609 T HA -0.155 4.200 4.350 0.007 0.000 0.269 609 T C 1.961 176.232 174.700 -0.715 0.000 1.071 609 T CA 1.325 62.976 62.100 -0.749 0.000 1.132 609 T CB -0.574 67.916 68.868 -0.630 0.000 0.878 609 T HN 0.292 nan 8.240 nan 0.000 0.479 610 L N 1.143 121.869 121.223 -0.828 0.000 2.017 610 L HA 0.006 4.350 4.340 0.007 0.000 0.208 610 L C 2.143 178.620 176.870 -0.655 0.000 1.073 610 L CA 1.705 56.050 54.840 -0.824 0.000 0.745 610 L CB -0.643 40.759 42.059 -1.095 0.000 0.894 610 L HN 0.234 nan 8.230 nan 0.000 0.432 611 I N -0.335 119.788 120.570 -0.745 0.000 2.226 611 I HA -0.302 3.872 4.170 0.007 0.000 0.245 611 I C 2.653 178.464 176.117 -0.511 0.000 1.100 611 I CA 1.523 62.455 61.300 -0.613 0.000 1.374 611 I CB -1.029 36.581 38.000 -0.650 0.000 1.057 611 I HN 0.306 nan 8.210 nan 0.000 0.413 612 I N 1.300 121.494 120.570 -0.628 0.000 2.142 612 I HA -0.301 3.873 4.170 0.007 0.000 0.240 612 I C 2.635 178.535 176.117 -0.362 0.000 1.078 612 I CA 1.689 62.666 61.300 -0.537 0.000 1.343 612 I CB -0.308 37.281 38.000 -0.686 0.000 1.046 612 I HN 0.203 nan 8.210 nan 0.000 0.405 613 I N -1.804 118.554 120.570 -0.352 0.000 2.454 613 I HA -0.193 3.981 4.170 0.007 0.000 0.254 613 I C 2.457 178.498 176.117 -0.126 0.000 1.156 613 I CA 1.375 62.548 61.300 -0.212 0.000 1.433 613 I CB -0.522 37.346 38.000 -0.221 0.000 1.082 613 I HN 0.027 nan 8.210 nan 0.000 0.432 614 S N 1.167 116.744 115.700 -0.205 0.000 2.371 614 S HA -0.100 4.374 4.470 0.007 0.000 0.224 614 S C 2.166 176.684 174.600 -0.136 0.000 1.029 614 S CA 1.576 59.679 58.200 -0.162 0.000 0.978 614 S CB -0.205 62.869 63.200 -0.210 0.000 0.833 614 S HN 0.548 nan 8.310 nan 0.000 0.466 615 S N 0.566 116.163 115.700 -0.173 0.000 2.356 615 S HA -0.107 4.368 4.470 0.007 0.000 0.223 615 S C 1.634 176.165 174.600 -0.114 0.000 1.032 615 S CA 1.234 59.338 58.200 -0.160 0.000 1.005 615 S CB -0.497 62.584 63.200 -0.199 0.000 0.867 615 S HN 0.653 nan 8.310 nan 0.000 0.449 616 Y N 2.590 122.767 120.300 -0.205 0.000 2.128 616 Y HA -0.230 4.324 4.550 0.007 0.000 0.284 616 Y C 2.518 178.373 175.900 -0.075 0.000 1.154 616 Y CA 1.990 59.999 58.100 -0.151 0.000 1.149 616 Y CB -0.907 37.447 38.460 -0.176 0.000 0.976 616 Y HN 0.171 nan 8.280 nan 0.000 0.505 617 T N 0.733 115.307 114.554 0.034 0.000 2.708 617 T HA -0.194 4.161 4.350 0.007 0.000 0.266 617 T C 2.117 176.746 174.700 -0.118 0.000 1.037 617 T CA 1.554 63.641 62.100 -0.022 0.000 1.146 617 T CB -0.847 68.040 68.868 0.033 0.000 0.865 617 T HN 0.512 nan 8.240 nan 0.000 0.435 618 A N 1.910 124.656 122.820 -0.123 0.000 1.877 618 A HA -0.178 4.146 4.320 0.007 0.000 0.216 618 A C 2.212 179.670 177.584 -0.210 0.000 1.186 618 A CA 1.950 53.901 52.037 -0.143 0.000 0.620 618 A CB -1.000 17.919 19.000 -0.136 0.000 0.822 618 A HN 0.633 nan 8.150 nan 0.000 0.443 619 N N -0.595 117.951 118.700 -0.257 0.000 2.120 619 N HA -0.168 4.576 4.740 0.007 0.000 0.188 619 N C 1.751 176.996 175.510 -0.442 0.000 1.024 619 N CA 1.472 54.285 53.050 -0.395 0.000 0.852 619 N CB -0.155 38.154 38.487 -0.296 0.000 1.003 619 N HN 0.342 nan 8.380 nan 0.000 0.424 620 L N 1.164 122.249 121.223 -0.231 0.000 2.191 620 L HA -0.002 4.342 4.340 0.007 0.000 0.212 620 L C 2.187 179.050 176.870 -0.012 0.000 1.103 620 L CA 1.398 56.225 54.840 -0.022 0.000 0.769 620 L CB -0.603 41.283 42.059 -0.288 0.000 0.908 620 L HN 0.173 nan 8.230 nan 0.000 0.438 621 A N -0.623 122.133 122.820 -0.106 0.000 1.872 621 A HA 0.030 4.354 4.320 0.007 0.000 0.214 621 A C 2.479 180.007 177.584 -0.094 0.000 1.187 621 A CA 1.347 53.341 52.037 -0.072 0.000 0.614 621 A CB -1.094 17.860 19.000 -0.077 0.000 0.826 621 A HN 0.505 nan 8.150 nan 0.000 0.442 622 A N -0.541 122.157 122.820 -0.203 0.000 1.903 622 A HA -0.144 4.180 4.320 0.007 0.000 0.219 622 A C 1.910 179.390 177.584 -0.173 0.000 1.191 622 A CA 1.924 53.812 52.037 -0.248 0.000 0.638 622 A CB -0.935 17.813 19.000 -0.420 0.000 0.823 622 A HN 0.464 nan 8.150 nan 0.000 0.451 623 F N -0.248 119.664 119.950 -0.062 0.000 2.161 623 F HA -0.097 4.434 4.527 0.007 0.000 0.300 623 F C 1.983 177.768 175.800 -0.026 0.000 1.089 623 F CA 1.160 59.133 58.000 -0.045 0.000 1.282 623 F CB -0.641 38.325 39.000 -0.058 0.000 1.010 623 F HN 0.090 nan 8.300 nan 0.000 0.485 624 L N -1.362 119.948 121.223 0.145 0.000 2.554 624 L HA -0.049 4.296 4.340 0.007 0.000 0.226 624 L C 1.898 178.798 176.870 0.050 0.000 1.137 624 L CA 0.638 55.531 54.840 0.088 0.000 0.863 624 L CB -0.708 41.390 42.059 0.065 0.000 0.985 624 L HN 0.113 nan 8.230 nan 0.000 0.451 625 T N -1.100 113.472 114.554 0.030 0.000 2.898 625 T HA -0.021 4.333 4.350 0.007 0.000 0.241 625 T C 1.909 176.621 174.700 0.019 0.000 1.024 625 T CA 0.731 62.837 62.100 0.011 0.000 1.174 625 T CB 0.066 68.924 68.868 -0.017 0.000 0.873 625 T HN -0.055 nan 8.240 nan 0.000 0.422 626 V N 1.333 121.259 119.914 0.020 0.000 2.255 626 V HA 0.120 4.244 4.120 0.007 0.000 0.243 626 V C 1.546 177.671 176.094 0.052 0.000 1.038 626 V CA 1.934 64.251 62.300 0.028 0.000 1.008 626 V CB -1.443 30.392 31.823 0.021 0.000 0.645 626 V HN 0.824 nan 8.190 nan 0.000 0.449 627 E N 0.868 121.121 120.200 0.089 0.000 2.246 627 E HA -0.294 4.061 4.350 0.007 0.000 0.211 627 E C 0.311 176.953 176.600 0.071 0.000 1.278 627 E CA 0.957 57.414 56.400 0.094 0.000 0.694 627 E CB -2.294 27.449 29.700 0.071 0.000 1.166 627 E HN 0.899 nan 8.360 nan 0.000 0.370 628 R N 0.298 120.844 120.500 0.077 0.000 2.357 628 R HA 0.736 5.080 4.340 0.007 0.000 0.296 628 R C 0.530 176.863 176.300 0.054 0.000 1.052 628 R CA -0.901 55.233 56.100 0.058 0.000 0.988 628 R CB 1.044 31.376 30.300 0.053 0.000 1.025 628 R HN 0.264 nan 8.270 nan 0.000 0.469 629 M N 3.199 122.825 119.600 0.043 0.000 2.250 629 M HA 0.210 4.694 4.480 0.007 0.000 0.344 629 M C 0.078 176.399 176.300 0.035 0.000 1.150 629 M CA -0.734 54.588 55.300 0.038 0.000 1.147 629 M CB 1.349 33.971 32.600 0.037 0.000 1.498 629 M HN 0.725 nan 8.290 nan 0.000 0.461 630 V N 0.285 120.218 119.914 0.032 0.000 2.919 630 V HA 0.950 5.074 4.120 0.007 0.000 0.316 630 V C -0.311 175.798 176.094 0.026 0.000 1.077 630 V CA -0.801 61.516 62.300 0.027 0.000 0.977 630 V CB 1.806 33.643 31.823 0.024 0.000 1.039 630 V HN 0.951 nan 8.190 nan 0.000 0.441 631 S N 1.488 117.199 115.700 0.019 0.000 2.526 631 S HA 0.738 5.212 4.470 0.007 0.000 0.293 631 S C -1.850 172.754 174.600 0.006 0.000 1.092 631 S CA -0.887 57.323 58.200 0.017 0.000 0.980 631 S CB 1.304 64.515 63.200 0.018 0.000 1.048 631 S HN 0.708 nan 8.310 nan 0.000 0.483 632 P HA 0.189 nan 4.420 nan 0.000 0.210 632 P C -0.087 177.200 177.300 -0.021 0.000 1.192 632 P CA 0.575 63.668 63.100 -0.012 0.000 0.913 632 P CB -0.166 31.530 31.700 -0.006 0.000 0.774 633 I N 0.189 120.745 120.570 -0.023 0.000 2.505 633 I HA 0.143 4.317 4.170 0.007 0.000 0.287 633 I C 1.633 177.732 176.117 -0.029 0.000 1.104 633 I CA 0.331 61.608 61.300 -0.039 0.000 1.387 633 I CB 0.721 38.690 38.000 -0.051 0.000 1.404 633 I HN 0.077 nan 8.210 nan 0.000 0.528 634 E N 4.673 124.853 120.200 -0.034 0.000 2.372 634 E HA 0.132 4.487 4.350 0.007 0.000 0.201 634 E C 0.806 177.390 176.600 -0.027 0.000 0.938 634 E CA 0.742 57.127 56.400 -0.024 0.000 0.944 634 E CB 0.556 30.243 29.700 -0.022 0.000 0.937 634 E HN 0.771 nan 8.360 nan 0.000 0.495 635 S N -2.969 112.706 115.700 -0.042 0.000 2.776 635 S HA 0.720 5.195 4.470 0.007 0.000 0.292 635 S C 1.419 175.979 174.600 -0.066 0.000 1.187 635 S CA 0.074 58.249 58.200 -0.042 0.000 0.834 635 S CB 1.114 64.287 63.200 -0.044 0.000 1.199 635 S HN 0.766 nan 8.310 nan 0.000 0.514 636 A N 0.174 122.959 122.820 -0.057 0.000 1.968 636 A HA 0.264 4.589 4.320 0.007 0.000 0.217 636 A C 2.187 179.680 177.584 -0.151 0.000 1.169 636 A CA 1.726 53.714 52.037 -0.082 0.000 0.638 636 A CB -1.837 17.172 19.000 0.016 0.000 0.812 636 A HN 1.276 nan 8.150 nan 0.000 0.446 637 E N 0.464 120.577 120.200 -0.144 0.000 2.265 637 E HA -0.225 4.129 4.350 0.007 0.000 0.196 637 E C 1.416 177.945 176.600 -0.119 0.000 0.996 637 E CA 1.523 57.839 56.400 -0.140 0.000 0.832 637 E CB -0.791 28.838 29.700 -0.118 0.000 0.756 637 E HN 0.656 nan 8.360 nan 0.000 0.491 638 D N -0.171 120.160 120.400 -0.115 0.000 2.224 638 D HA 0.011 4.655 4.640 0.007 0.000 0.205 638 D C 1.902 178.121 176.300 -0.134 0.000 0.965 638 D CA 0.407 54.345 54.000 -0.104 0.000 0.852 638 D CB -0.003 40.746 40.800 -0.085 0.000 0.947 638 D HN 0.433 nan 8.370 nan 0.000 0.494 639 L N 0.657 121.751 121.223 -0.214 0.000 2.217 639 L HA -0.084 4.261 4.340 0.007 0.000 0.211 639 L C 2.290 179.025 176.870 -0.224 0.000 1.107 639 L CA 0.946 55.576 54.840 -0.350 0.000 0.783 639 L CB -0.197 41.391 42.059 -0.785 0.000 0.919 639 L HN 0.064 nan 8.230 nan 0.000 0.442 640 S N -0.709 114.897 115.700 -0.156 0.000 2.439 640 S HA -0.062 4.412 4.470 0.007 0.000 0.224 640 S C 2.189 176.758 174.600 -0.053 0.000 1.029 640 S CA 0.714 58.880 58.200 -0.057 0.000 0.946 640 S CB -0.202 62.971 63.200 -0.044 0.000 0.797 640 S HN 0.316 nan 8.310 nan 0.000 0.504 641 K N 0.627 120.987 120.400 -0.067 0.000 2.432 641 K HA 0.161 4.485 4.320 0.007 0.000 0.196 641 K C 1.016 177.584 176.600 -0.053 0.000 1.038 641 K CA 1.077 57.332 56.287 -0.055 0.000 0.986 641 K CB -0.668 31.798 32.500 -0.057 0.000 0.782 641 K HN 0.893 nan 8.250 nan 0.000 0.485 642 Q N -3.602 116.162 119.800 -0.059 0.000 2.496 642 Q HA 0.625 4.969 4.340 0.007 0.000 0.286 642 Q C 0.521 176.479 176.000 -0.070 0.000 1.103 642 Q CA -0.155 55.615 55.803 -0.054 0.000 0.813 642 Q CB 1.733 30.442 28.738 -0.047 0.000 1.444 642 Q HN -0.057 nan 8.270 nan 0.000 0.443 643 T N -1.974 112.542 114.554 -0.064 0.000 3.028 643 T HA 0.180 4.534 4.350 0.007 0.000 0.262 643 T C 1.381 176.058 174.700 -0.040 0.000 0.916 643 T CA 0.989 63.030 62.100 -0.098 0.000 0.873 643 T CB -0.166 68.659 68.868 -0.073 0.000 1.232 643 T HN 0.649 nan 8.240 nan 0.000 0.529 644 E N 1.330 121.523 120.200 -0.011 0.000 2.097 644 E HA 0.035 4.390 4.350 0.007 0.000 0.196 644 E C 0.864 177.489 176.600 0.040 0.000 1.000 644 E CA 1.289 57.699 56.400 0.017 0.000 0.804 644 E CB -0.774 28.938 29.700 0.019 0.000 0.740 644 E HN 0.773 nan 8.360 nan 0.000 0.454 645 I N 0.989 121.586 120.570 0.045 0.000 2.291 645 I HA 0.519 4.694 4.170 0.007 0.000 0.290 645 I C 0.581 176.776 176.117 0.131 0.000 1.050 645 I CA -0.881 60.471 61.300 0.086 0.000 1.245 645 I CB 1.233 39.276 38.000 0.072 0.000 1.405 645 I HN 0.361 nan 8.210 nan 0.000 0.478 646 A N 7.256 130.172 122.820 0.160 0.000 2.386 646 A HA 0.555 4.879 4.320 0.007 0.000 0.246 646 A C -0.686 177.047 177.584 0.249 0.000 1.089 646 A CA 0.258 52.413 52.037 0.195 0.000 0.790 646 A CB 0.291 19.451 19.000 0.267 0.000 1.042 646 A HN 0.754 nan 8.150 nan 0.000 0.497 647 Y N -2.749 117.670 120.300 0.199 0.000 2.604 647 Y HA 0.692 5.246 4.550 0.007 0.000 0.331 647 Y C -0.145 175.797 175.900 0.071 0.000 1.158 647 Y CA -0.492 57.571 58.100 -0.061 0.000 1.056 647 Y CB 0.599 38.985 38.460 -0.123 0.000 1.330 647 Y HN 1.216 nan 8.280 nan 0.000 0.457 648 G N 0.118 109.008 108.800 0.151 0.000 2.606 648 G HA2 0.631 4.595 3.960 0.007 0.000 0.300 648 G HA3 0.631 4.595 3.960 0.007 0.000 0.300 648 G C -1.254 173.770 174.900 0.206 0.000 1.360 648 G CA -0.366 44.772 45.100 0.062 0.000 0.783 648 G HN 1.211 nan 8.290 nan 0.000 0.484 649 T N -2.608 112.126 114.554 0.299 0.000 2.724 649 T HA 0.692 5.047 4.350 0.007 0.000 0.274 649 T C -0.588 174.496 174.700 0.639 0.000 0.984 649 T CA -0.686 61.654 62.100 0.401 0.000 1.024 649 T CB 1.327 70.442 68.868 0.411 0.000 1.320 649 T HN 0.828 nan 8.240 nan 0.000 0.555 650 L N 2.387 123.924 121.223 0.523 0.000 2.416 650 L HA 0.262 4.606 4.340 0.007 0.000 0.272 650 L C 1.237 178.331 176.870 0.373 0.000 1.161 650 L CA 0.084 55.199 54.840 0.457 0.000 0.845 650 L CB 0.304 42.570 42.059 0.345 0.000 1.119 650 L HN 0.862 nan 8.230 nan 0.000 0.464 651 D N 0.536 121.109 120.400 0.288 0.000 2.263 651 D HA -0.086 4.559 4.640 0.007 0.000 0.208 651 D C 0.048 176.363 176.300 0.024 0.000 0.971 651 D CA 1.191 55.250 54.000 0.098 0.000 0.867 651 D CB -0.234 40.623 40.800 0.096 0.000 0.929 651 D HN 0.420 nan 8.370 nan 0.000 0.492 652 S N -1.953 113.802 115.700 0.091 0.000 2.614 652 S HA 0.710 5.184 4.470 0.007 0.000 0.275 652 S C -0.170 174.484 174.600 0.090 0.000 1.161 652 S CA -0.314 57.924 58.200 0.064 0.000 0.969 652 S CB 2.037 65.266 63.200 0.049 0.000 1.059 652 S HN 0.759 nan 8.310 nan 0.000 0.482 653 G N 1.247 110.088 108.800 0.069 0.000 2.352 653 G HA2 0.348 4.312 3.960 0.007 0.000 0.302 653 G HA3 0.348 4.312 3.960 0.007 0.000 0.302 653 G C 0.361 175.287 174.900 0.045 0.000 1.370 653 G CA 0.039 45.178 45.100 0.065 0.000 0.918 653 G HN 1.649 nan 8.290 nan 0.000 0.610 654 S N -1.166 114.544 115.700 0.016 0.000 2.419 654 S HA -0.103 4.371 4.470 0.007 0.000 0.233 654 S C 2.151 176.758 174.600 0.011 0.000 1.016 654 S CA 2.622 60.815 58.200 -0.011 0.000 0.974 654 S CB -0.534 62.632 63.200 -0.057 0.000 0.786 654 S HN 0.888 nan 8.310 nan 0.000 0.492 655 T N 2.287 116.864 114.554 0.039 0.000 2.674 655 T HA -0.032 4.322 4.350 0.007 0.000 0.265 655 T C 2.444 177.314 174.700 0.283 0.000 1.039 655 T CA 2.219 64.377 62.100 0.098 0.000 1.150 655 T CB -0.831 68.109 68.868 0.120 0.000 0.864 655 T HN 0.793 nan 8.240 nan 0.000 0.427 656 K N 1.250 121.809 120.400 0.266 0.000 2.025 656 K HA 0.060 4.385 4.320 0.007 0.000 0.207 656 K C 2.344 178.986 176.600 0.071 0.000 1.049 656 K CA 1.943 58.415 56.287 0.309 0.000 0.933 656 K CB -1.616 31.018 32.500 0.224 0.000 0.714 656 K HN 0.643 nan 8.250 nan 0.000 0.438 657 E N 0.131 120.324 120.200 -0.012 0.000 2.265 657 E HA -0.039 4.315 4.350 0.007 0.000 0.196 657 E C 1.727 178.225 176.600 -0.170 0.000 0.996 657 E CA 1.274 57.593 56.400 -0.136 0.000 0.832 657 E CB -0.877 28.777 29.700 -0.078 0.000 0.756 657 E HN 0.700 nan 8.360 nan 0.000 0.491 658 F N 0.331 120.132 119.950 -0.248 0.000 2.084 658 F HA 0.002 4.533 4.527 0.007 0.000 0.296 658 F C 2.003 177.540 175.800 -0.440 0.000 1.111 658 F CA 1.750 59.519 58.000 -0.385 0.000 1.224 658 F CB -0.375 38.309 39.000 -0.527 0.000 0.991 658 F HN 0.183 nan 8.300 nan 0.000 0.471 659 F N 0.708 120.417 119.950 -0.401 0.000 2.171 659 F HA -0.076 4.456 4.527 0.007 0.000 0.300 659 F C 2.905 178.252 175.800 -0.754 0.000 1.090 659 F CA 2.035 59.775 58.000 -0.433 0.000 1.293 659 F CB -1.537 37.523 39.000 0.100 0.000 1.013 659 F HN -0.020 nan 8.300 nan 0.000 0.486 660 R N 0.813 120.669 120.500 -1.072 0.000 2.091 660 R HA -0.070 4.274 4.340 0.007 0.000 0.238 660 R C 2.206 178.120 176.300 -0.644 0.000 1.136 660 R CA 2.042 57.238 56.100 -1.507 0.000 0.959 660 R CB -2.057 27.505 30.300 -1.230 0.000 0.856 660 R HN 0.395 nan 8.270 nan 0.000 0.437 661 R N 0.370 120.583 120.500 -0.478 0.000 2.280 661 R HA 0.291 4.636 4.340 0.007 0.000 0.195 661 R C 1.612 177.727 176.300 -0.308 0.000 0.935 661 R CA 0.596 56.513 56.100 -0.306 0.000 1.033 661 R CB -0.878 29.280 30.300 -0.238 0.000 0.964 661 R HN 0.556 nan 8.270 nan 0.000 0.489 662 S N 0.589 116.012 115.700 -0.462 0.000 2.516 662 S HA 0.406 4.881 4.470 0.007 0.000 0.282 662 S C 1.150 175.646 174.600 -0.173 0.000 1.286 662 S CA 0.537 58.464 58.200 -0.456 0.000 1.066 662 S CB 0.947 63.656 63.200 -0.819 0.000 0.884 662 S HN 0.691 nan 8.310 nan 0.000 0.491 663 K N 4.747 125.086 120.400 -0.101 0.000 2.397 663 K HA 0.379 4.703 4.320 0.007 0.000 0.202 663 K C 0.406 177.025 176.600 0.032 0.000 1.022 663 K CA -0.022 56.254 56.287 -0.018 0.000 1.141 663 K CB -0.490 31.997 32.500 -0.021 0.000 0.857 663 K HN 0.810 nan 8.250 nan 0.000 0.514 664 I N 0.759 121.374 120.570 0.074 0.000 2.575 664 I HA 0.213 4.388 4.170 0.007 0.000 0.285 664 I C 2.024 178.209 176.117 0.113 0.000 1.085 664 I CA -0.334 61.051 61.300 0.142 0.000 1.403 664 I CB 1.550 39.760 38.000 0.351 0.000 1.409 664 I HN 0.288 nan 8.210 nan 0.000 0.557 665 A N 6.039 128.887 122.820 0.047 0.000 1.852 665 A HA -0.169 4.155 4.320 0.007 0.000 0.217 665 A C 2.157 179.736 177.584 -0.008 0.000 1.215 665 A CA 2.223 54.270 52.037 0.015 0.000 0.641 665 A CB -0.977 18.015 19.000 -0.012 0.000 0.838 665 A HN 0.629 nan 8.150 nan 0.000 0.450 666 V N -1.047 118.789 119.914 -0.129 0.000 2.255 666 V HA -0.279 3.845 4.120 0.007 0.000 0.247 666 V C 2.387 178.424 176.094 -0.095 0.000 1.051 666 V CA 2.353 64.526 62.300 -0.212 0.000 1.018 666 V CB -1.250 30.297 31.823 -0.460 0.000 0.641 666 V HN 0.543 nan 8.190 nan 0.000 0.445 667 F N 0.515 120.561 119.950 0.161 0.000 2.269 667 F HA -0.149 4.383 4.527 0.007 0.000 0.301 667 F C 2.307 178.284 175.800 0.294 0.000 1.082 667 F CA 1.513 59.684 58.000 0.286 0.000 1.360 667 F CB -0.768 38.312 39.000 0.135 0.000 1.041 667 F HN 0.241 nan 8.300 nan 0.000 0.512 668 D N 1.225 121.817 120.400 0.320 0.000 2.078 668 D HA -0.204 4.440 4.640 0.007 0.000 0.193 668 D C 2.428 178.905 176.300 0.294 0.000 0.990 668 D CA 2.229 56.397 54.000 0.280 0.000 0.827 668 D CB -0.090 40.812 40.800 0.171 0.000 0.975 668 D HN 0.247 nan 8.370 nan 0.000 0.451 669 K N 0.870 121.392 120.400 0.203 0.000 2.063 669 K HA -0.121 4.204 4.320 0.007 0.000 0.208 669 K C 2.443 179.187 176.600 0.240 0.000 1.048 669 K CA 1.883 58.273 56.287 0.173 0.000 0.928 669 K CB -1.097 31.465 32.500 0.102 0.000 0.713 669 K HN 0.343 nan 8.250 nan 0.000 0.442 670 M N -1.291 118.487 119.600 0.297 0.000 2.080 670 M HA -0.141 4.344 4.480 0.007 0.000 0.260 670 M C 2.396 178.937 176.300 0.402 0.000 1.068 670 M CA 2.113 57.644 55.300 0.385 0.000 1.109 670 M CB -0.368 32.438 32.600 0.343 0.000 1.342 670 M HN 0.702 nan 8.290 nan 0.000 0.405 671 W N 1.375 122.812 121.300 0.227 0.000 2.358 671 W HA -0.187 4.478 4.660 0.007 0.000 0.303 671 W C 1.749 178.362 176.519 0.156 0.000 1.208 671 W CA 1.780 59.243 57.345 0.196 0.000 1.274 671 W CB -0.382 29.224 29.460 0.243 0.000 1.138 671 W HN 0.191 nan 8.180 nan 0.000 0.515 672 T N 0.565 115.151 114.554 0.054 0.000 2.699 672 T HA -0.333 4.021 4.350 0.007 0.000 0.268 672 T C 1.318 175.939 174.700 -0.131 0.000 1.036 672 T CA 2.155 64.198 62.100 -0.095 0.000 1.147 672 T CB -0.936 67.963 68.868 0.053 0.000 0.862 672 T HN 0.410 nan 8.240 nan 0.000 0.446 673 Y N 1.589 121.809 120.300 -0.134 0.000 2.133 673 Y HA -0.046 4.508 4.550 0.007 0.000 0.287 673 Y C 2.277 178.007 175.900 -0.283 0.000 1.134 673 Y CA 1.295 59.287 58.100 -0.180 0.000 1.133 673 Y CB -0.472 37.897 38.460 -0.152 0.000 0.987 673 Y HN 0.097 nan 8.280 nan 0.000 0.502 674 M N 0.351 119.641 119.600 -0.517 0.000 2.279 674 M HA -0.157 4.327 4.480 0.007 0.000 0.264 674 M C 2.492 178.490 176.300 -0.504 0.000 1.062 674 M CA 1.851 56.745 55.300 -0.677 0.000 1.099 674 M CB -0.454 31.954 32.600 -0.320 0.000 1.394 674 M HN 0.383 nan 8.290 nan 0.000 0.426 675 R N 0.590 120.697 120.500 -0.655 0.000 2.148 675 R HA -0.042 4.302 4.340 0.007 0.000 0.227 675 R C 1.791 177.887 176.300 -0.341 0.000 1.103 675 R CA 1.868 57.558 56.100 -0.683 0.000 0.983 675 R CB -1.343 28.341 30.300 -1.027 0.000 0.874 675 R HN 0.643 nan 8.270 nan 0.000 0.451 676 S N -2.059 113.437 115.700 -0.341 0.000 2.819 676 S HA 0.619 5.093 4.470 0.007 0.000 0.249 676 S C 0.659 175.094 174.600 -0.275 0.000 1.030 676 S CA 0.119 58.177 58.200 -0.237 0.000 1.052 676 S CB 0.223 63.316 63.200 -0.179 0.000 1.017 676 S HN 0.775 nan 8.310 nan 0.000 0.576 677 A N 1.241 123.794 122.820 -0.446 0.000 2.450 677 A HA 0.617 4.941 4.320 0.007 0.000 0.255 677 A C 0.404 177.812 177.584 -0.293 0.000 1.096 677 A CA 0.401 52.125 52.037 -0.522 0.000 0.778 677 A CB -0.156 18.235 19.000 -1.015 0.000 1.031 677 A HN 0.849 nan 8.150 nan 0.000 0.494 678 E N 3.465 123.547 120.200 -0.198 0.000 2.234 678 E HA 0.656 5.011 4.350 0.007 0.000 0.266 678 E C -2.039 174.504 176.600 -0.095 0.000 0.877 678 E CA -1.632 54.695 56.400 -0.122 0.000 0.758 678 E CB 0.307 29.956 29.700 -0.085 0.000 1.170 678 E HN 0.844 nan 8.360 nan 0.000 0.415 679 P HA 0.275 nan 4.420 nan 0.000 0.275 679 P C 0.305 177.540 177.300 -0.107 0.000 1.270 679 P CA -0.434 62.617 63.100 -0.081 0.000 0.791 679 P CB 0.620 32.277 31.700 -0.071 0.000 1.089 680 S N -0.474 115.187 115.700 -0.066 0.000 2.546 680 S HA 0.035 4.509 4.470 0.007 0.000 0.290 680 S C 1.193 175.721 174.600 -0.119 0.000 1.262 680 S CA -0.348 57.833 58.200 -0.032 0.000 1.083 680 S CB -0.455 62.789 63.200 0.074 0.000 0.859 680 S HN 0.326 nan 8.310 nan 0.000 0.495 681 V N 3.924 123.666 119.914 -0.287 0.000 3.623 681 V HA 0.375 4.500 4.120 0.007 0.000 0.271 681 V C 0.165 176.107 176.094 -0.253 0.000 1.248 681 V CA 0.027 62.141 62.300 -0.310 0.000 1.156 681 V CB -1.239 30.318 31.823 -0.443 0.000 0.870 681 V HN 0.639 nan 8.190 nan 0.000 0.453 682 F N 1.533 121.538 119.950 0.091 0.000 2.385 682 F HA 0.691 5.223 4.527 0.007 0.000 0.336 682 F C 0.340 176.208 175.800 0.114 0.000 1.100 682 F CA -0.851 57.243 58.000 0.156 0.000 1.116 682 F CB 1.475 40.555 39.000 0.133 0.000 1.166 682 F HN 0.010 nan 8.300 nan 0.000 0.511 683 V N -0.181 119.934 119.914 0.334 0.000 2.994 683 V HA 0.816 4.940 4.120 0.007 0.000 0.318 683 V C 0.721 176.918 176.094 0.172 0.000 1.085 683 V CA -0.609 61.796 62.300 0.175 0.000 0.998 683 V CB 1.020 32.892 31.823 0.081 0.000 1.063 683 V HN 0.859 nan 8.190 nan 0.000 0.447 684 R N 1.150 121.712 120.500 0.102 0.000 2.057 684 R HA 0.236 4.580 4.340 0.007 0.000 0.229 684 R C 1.351 177.711 176.300 0.100 0.000 1.136 684 R CA 1.823 57.978 56.100 0.092 0.000 0.952 684 R CB -1.269 29.066 30.300 0.058 0.000 0.848 684 R HN 1.209 nan 8.270 nan 0.000 0.430 685 T N -5.266 109.336 114.554 0.079 0.000 2.910 685 T HA 0.377 4.732 4.350 0.007 0.000 0.287 685 T C 0.984 175.728 174.700 0.073 0.000 1.050 685 T CA 0.217 62.369 62.100 0.087 0.000 1.011 685 T CB 1.708 70.615 68.868 0.064 0.000 1.195 685 T HN 0.074 nan 8.240 nan 0.000 0.540 686 T N 0.854 115.472 114.554 0.107 0.000 2.867 686 T HA 0.048 4.402 4.350 0.007 0.000 0.268 686 T C 2.328 177.023 174.700 -0.008 0.000 1.057 686 T CA 1.285 63.448 62.100 0.105 0.000 1.136 686 T CB -0.757 68.232 68.868 0.202 0.000 0.874 686 T HN 0.792 nan 8.240 nan 0.000 0.466 687 A N 1.457 124.290 122.820 0.022 0.000 1.933 687 A HA -0.010 4.314 4.320 0.007 0.000 0.218 687 A C 2.481 180.043 177.584 -0.036 0.000 1.175 687 A CA 2.092 54.134 52.037 0.009 0.000 0.628 687 A CB -1.094 17.924 19.000 0.030 0.000 0.814 687 A HN 0.593 nan 8.150 nan 0.000 0.444 688 E N -0.719 119.452 120.200 -0.047 0.000 2.110 688 E HA -0.002 4.353 4.350 0.007 0.000 0.193 688 E C 2.297 178.819 176.600 -0.132 0.000 0.988 688 E CA 1.669 58.031 56.400 -0.063 0.000 0.804 688 E CB -1.585 28.095 29.700 -0.035 0.000 0.745 688 E HN 0.697 nan 8.360 nan 0.000 0.458 689 G N 0.324 108.950 108.800 -0.290 0.000 2.421 689 G HA2 -0.147 3.818 3.960 0.007 0.000 0.216 689 G HA3 -0.147 3.818 3.960 0.007 0.000 0.216 689 G C 1.962 176.668 174.900 -0.325 0.000 1.171 689 G CA 1.422 46.172 45.100 -0.583 0.000 0.775 689 G HN 0.465 nan 8.290 nan 0.000 0.543 690 V N 1.599 121.371 119.914 -0.236 0.000 2.343 690 V HA -0.126 3.998 4.120 0.007 0.000 0.247 690 V C 3.320 179.425 176.094 0.020 0.000 1.051 690 V CA 1.964 64.249 62.300 -0.025 0.000 1.036 690 V CB -0.862 30.977 31.823 0.027 0.000 0.654 690 V HN 0.474 nan 8.190 nan 0.000 0.451 691 A N 0.306 123.121 122.820 -0.008 0.000 1.933 691 A HA -0.209 4.115 4.320 0.007 0.000 0.218 691 A C 2.527 180.122 177.584 0.018 0.000 1.175 691 A CA 2.332 54.373 52.037 0.006 0.000 0.628 691 A CB -0.647 18.347 19.000 -0.010 0.000 0.814 691 A HN 0.530 nan 8.150 nan 0.000 0.444 692 R N -0.669 119.838 120.500 0.011 0.000 2.115 692 R HA 0.083 4.428 4.340 0.007 0.000 0.230 692 R C 2.083 178.495 176.300 0.187 0.000 1.111 692 R CA 1.669 57.773 56.100 0.007 0.000 0.976 692 R CB -1.663 28.530 30.300 -0.178 0.000 0.870 692 R HN 0.433 nan 8.270 nan 0.000 0.445 693 V N 0.780 120.851 119.914 0.262 0.000 2.591 693 V HA -0.086 4.038 4.120 0.007 0.000 0.249 693 V C 2.286 178.467 176.094 0.145 0.000 1.053 693 V CA 1.556 64.009 62.300 0.255 0.000 1.068 693 V CB -0.426 31.518 31.823 0.201 0.000 0.689 693 V HN 0.533 nan 8.190 nan 0.000 0.462 694 R N 0.432 120.992 120.500 0.101 0.000 2.275 694 R HA 0.081 4.425 4.340 0.007 0.000 0.199 694 R C 1.916 178.250 176.300 0.056 0.000 0.989 694 R CA 0.985 57.127 56.100 0.070 0.000 1.016 694 R CB -0.101 30.231 30.300 0.052 0.000 0.918 694 R HN 0.514 nan 8.270 nan 0.000 0.473 695 K N -0.030 120.404 120.400 0.056 0.000 2.413 695 K HA 0.209 4.534 4.320 0.007 0.000 0.204 695 K C 1.070 177.694 176.600 0.039 0.000 1.041 695 K CA 0.015 56.323 56.287 0.035 0.000 1.082 695 K CB 0.728 33.236 32.500 0.014 0.000 0.871 695 K HN -0.036 nan 8.250 nan 0.000 0.535 696 S N 0.258 116.000 115.700 0.071 0.000 2.539 696 S HA 0.284 4.759 4.470 0.007 0.000 0.221 696 S C 1.221 175.868 174.600 0.078 0.000 0.987 696 S CA 0.593 58.841 58.200 0.080 0.000 0.929 696 S CB 0.526 63.812 63.200 0.144 0.000 0.832 696 S HN 0.971 nan 8.310 nan 0.000 0.492 697 K N 0.682 121.123 120.400 0.067 0.000 3.069 697 K HA -0.125 4.199 4.320 0.007 0.000 0.267 697 K C 1.048 177.690 176.600 0.070 0.000 1.082 697 K CA 1.245 57.567 56.287 0.058 0.000 0.782 697 K CB -2.943 29.583 32.500 0.042 0.000 1.230 697 K HN 1.573 nan 8.250 nan 0.000 0.488 698 G N -3.985 104.867 108.800 0.087 0.000 2.132 698 G HA2 0.182 4.146 3.960 0.007 0.000 0.234 698 G HA3 0.182 4.146 3.960 0.007 0.000 0.234 698 G C 0.966 175.924 174.900 0.097 0.000 0.989 698 G CA 1.494 46.645 45.100 0.086 0.000 0.676 698 G HN 2.179 nan 8.290 nan 0.000 0.522 699 K N -1.249 119.224 120.400 0.121 0.000 2.367 699 K HA 0.628 4.953 4.320 0.007 0.000 0.194 699 K C 0.369 177.095 176.600 0.209 0.000 1.027 699 K CA 1.013 57.380 56.287 0.133 0.000 1.075 699 K CB 0.378 32.943 32.500 0.109 0.000 0.845 699 K HN 1.231 nan 8.250 nan 0.000 0.529 700 Y N 0.110 120.456 120.300 0.077 0.000 2.373 700 Y HA 0.592 5.146 4.550 0.007 0.000 0.336 700 Y C -0.585 175.396 175.900 0.135 0.000 0.979 700 Y CA -2.037 56.124 58.100 0.102 0.000 1.080 700 Y CB 1.756 40.262 38.460 0.077 0.000 1.190 700 Y HN 0.127 nan 8.280 nan 0.000 0.446 701 A N 5.299 127.832 122.820 -0.478 0.000 2.325 701 A HA 0.626 4.950 4.320 0.007 0.000 0.333 701 A C -2.315 174.930 177.584 -0.566 0.000 1.155 701 A CA -0.552 51.275 52.037 -0.351 0.000 0.814 701 A CB 0.685 19.609 19.000 -0.126 0.000 1.206 701 A HN 0.746 nan 8.150 nan 0.000 0.482 702 Y N 1.943 122.042 120.300 -0.335 0.000 2.376 702 Y HA 0.610 5.164 4.550 0.007 0.000 0.340 702 Y C -1.101 174.801 175.900 0.004 0.000 0.965 702 Y CA -1.131 56.879 58.100 -0.151 0.000 1.078 702 Y CB 1.370 39.845 38.460 0.025 0.000 1.193 702 Y HN 0.564 nan 8.280 nan 0.000 0.452 703 L N 8.277 129.205 121.223 -0.492 0.000 2.272 703 L HA 0.633 4.977 4.340 0.007 0.000 0.289 703 L C -0.552 175.977 176.870 -0.569 0.000 1.032 703 L CA -0.631 54.010 54.840 -0.332 0.000 0.810 703 L CB 0.805 42.860 42.059 -0.007 0.000 1.205 703 L HN 0.719 nan 8.230 nan 0.000 0.422 704 L N -0.779 120.251 121.223 -0.321 0.000 2.654 704 L HA 0.785 5.129 4.340 0.007 0.000 0.257 704 L C -0.073 176.765 176.870 -0.052 0.000 1.093 704 L CA -1.097 53.629 54.840 -0.190 0.000 0.903 704 L CB 1.586 43.583 42.059 -0.103 0.000 1.520 704 L HN 0.478 nan 8.230 nan 0.000 0.402 705 E N 0.295 120.496 120.200 0.003 0.000 2.415 705 E HA 0.268 4.622 4.350 0.007 0.000 0.263 705 E C 1.117 177.749 176.600 0.053 0.000 0.995 705 E CA 0.224 56.627 56.400 0.005 0.000 0.915 705 E CB 0.666 30.396 29.700 0.051 0.000 0.951 705 E HN 0.861 nan 8.360 nan 0.000 0.449 706 S N 1.446 117.151 115.700 0.008 0.000 2.374 706 S HA -0.279 4.195 4.470 0.007 0.000 0.227 706 S C 2.166 176.838 174.600 0.120 0.000 1.037 706 S CA 2.301 60.523 58.200 0.037 0.000 1.024 706 S CB -1.088 62.096 63.200 -0.026 0.000 0.861 706 S HN 1.165 nan 8.310 nan 0.000 0.456 707 T N 0.161 114.804 114.554 0.149 0.000 2.635 707 T HA -0.170 4.184 4.350 0.007 0.000 0.267 707 T C 1.753 176.743 174.700 0.484 0.000 1.040 707 T CA 1.720 64.008 62.100 0.313 0.000 1.156 707 T CB -0.685 68.459 68.868 0.460 0.000 0.863 707 T HN 0.341 nan 8.240 nan 0.000 0.430 708 M N 2.315 122.137 119.600 0.371 0.000 2.229 708 M HA 0.078 4.563 4.480 0.007 0.000 0.264 708 M C 1.980 178.479 176.300 0.332 0.000 1.063 708 M CA 1.280 56.783 55.300 0.339 0.000 1.114 708 M CB -0.999 31.762 32.600 0.268 0.000 1.387 708 M HN 0.304 nan 8.290 nan 0.000 0.420 709 N N 0.436 119.298 118.700 0.269 0.000 2.058 709 N HA -0.174 4.571 4.740 0.007 0.000 0.191 709 N C 1.459 177.111 175.510 0.238 0.000 1.037 709 N CA 2.048 55.234 53.050 0.226 0.000 0.848 709 N CB -0.263 38.320 38.487 0.161 0.000 1.021 709 N HN 0.550 nan 8.380 nan 0.000 0.422 710 E N -1.182 119.180 120.200 0.270 0.000 2.130 710 E HA -0.245 4.109 4.350 0.007 0.000 0.196 710 E C 1.690 178.486 176.600 0.328 0.000 0.998 710 E CA 1.178 57.749 56.400 0.286 0.000 0.806 710 E CB -0.298 29.556 29.700 0.258 0.000 0.738 710 E HN 0.510 nan 8.360 nan 0.000 0.459 711 Y N 1.188 121.639 120.300 0.252 0.000 2.200 711 Y HA -0.190 4.365 4.550 0.007 0.000 0.290 711 Y C 2.005 177.906 175.900 0.001 0.000 1.137 711 Y CA 1.126 59.213 58.100 -0.021 0.000 1.163 711 Y CB 0.012 38.332 38.460 -0.233 0.000 0.988 711 Y HN -0.040 nan 8.280 nan 0.000 0.518 712 I N 0.947 121.576 120.570 0.098 0.000 2.264 712 I HA -0.297 3.877 4.170 0.007 0.000 0.248 712 I C 2.379 178.480 176.117 -0.026 0.000 1.111 712 I CA 1.852 63.163 61.300 0.019 0.000 1.382 712 I CB -1.390 36.691 38.000 0.135 0.000 1.060 712 I HN 0.437 nan 8.210 nan 0.000 0.418 713 E N 0.755 120.976 120.200 0.035 0.000 2.265 713 E HA -0.213 4.142 4.350 0.007 0.000 0.196 713 E C 1.013 177.616 176.600 0.005 0.000 0.996 713 E CA 0.843 57.272 56.400 0.048 0.000 0.832 713 E CB 0.233 29.997 29.700 0.106 0.000 0.756 713 E HN 0.449 nan 8.360 nan 0.000 0.491 714 Q N 0.752 120.503 119.800 -0.081 0.000 2.211 714 Q HA 0.171 4.515 4.340 0.007 0.000 0.231 714 Q C -0.515 175.357 176.000 -0.212 0.000 0.865 714 Q CA 0.103 55.839 55.803 -0.112 0.000 0.997 714 Q CB 0.635 29.298 28.738 -0.125 0.000 1.101 714 Q HN 0.052 nan 8.270 nan 0.000 0.468 715 R N 0.260 120.649 120.500 -0.185 0.000 2.686 715 R HA 0.510 4.854 4.340 0.007 0.000 0.286 715 R C 0.163 176.421 176.300 -0.071 0.000 0.969 715 R CA -0.576 55.422 56.100 -0.170 0.000 0.898 715 R CB 0.478 30.642 30.300 -0.226 0.000 1.183 715 R HN 0.033 nan 8.270 nan 0.000 0.456 716 K N 2.018 122.390 120.400 -0.047 0.000 2.440 716 K HA 0.142 4.466 4.320 0.007 0.000 0.270 716 K C -1.834 174.763 176.600 -0.006 0.000 0.980 716 K CA -0.507 55.770 56.287 -0.016 0.000 0.953 716 K CB -0.712 31.783 32.500 -0.009 0.000 0.925 716 K HN 0.389 nan 8.250 nan 0.000 0.497 717 P HA 0.232 nan 4.420 nan 0.000 0.249 717 P C -0.959 176.348 177.300 0.012 0.000 1.544 717 P CA -0.352 62.753 63.100 0.009 0.000 0.932 717 P CB -0.891 30.818 31.700 0.014 0.000 1.524 718 c N 0.685 119.290 118.600 0.008 0.000 4.209 718 c HA -0.106 4.468 4.570 0.007 0.000 0.305 718 c C 0.898 175.005 174.090 0.028 0.000 1.339 718 c CA 0.843 57.182 56.329 0.016 0.000 2.062 718 c CB -2.843 39.677 42.510 0.018 0.000 1.307 718 c HN 0.536 nan 8.230 nan 0.000 0.706 719 D N -0.795 119.625 120.400 0.032 0.000 2.501 719 D HA 0.235 4.880 4.640 0.007 0.000 0.224 719 D C 0.389 176.720 176.300 0.051 0.000 1.202 719 D CA 0.571 54.595 54.000 0.040 0.000 0.829 719 D CB 0.105 40.928 40.800 0.038 0.000 1.023 719 D HN 0.695 nan 8.370 nan 0.000 0.499 720 T N -1.471 113.116 114.554 0.055 0.000 2.900 720 T HA 0.720 5.075 4.350 0.007 0.000 0.295 720 T C -0.140 174.603 174.700 0.072 0.000 1.044 720 T CA -1.007 61.135 62.100 0.069 0.000 0.995 720 T CB 2.175 71.093 68.868 0.083 0.000 1.072 720 T HN 0.234 nan 8.240 nan 0.000 0.473 721 M N -0.901 118.745 119.600 0.075 0.000 2.470 721 M HA 0.845 5.329 4.480 0.007 0.000 0.285 721 M C -0.831 175.514 176.300 0.075 0.000 1.213 721 M CA -1.165 54.181 55.300 0.076 0.000 0.901 721 M CB 1.524 34.163 32.600 0.064 0.000 1.718 721 M HN 0.790 nan 8.290 nan 0.000 0.469 722 K N 1.581 122.030 120.400 0.081 0.000 2.205 722 K HA 0.749 5.073 4.320 0.007 0.000 0.279 722 K C -0.528 176.101 176.600 0.049 0.000 1.027 722 K CA -0.292 56.036 56.287 0.069 0.000 0.932 722 K CB 0.750 33.298 32.500 0.080 0.000 1.032 722 K HN 1.088 nan 8.250 nan 0.000 0.466 723 V N -1.170 118.764 119.914 0.032 0.000 2.680 723 V HA 0.936 5.060 4.120 0.007 0.000 0.309 723 V C 0.512 176.613 176.094 0.011 0.000 1.052 723 V CA -0.104 62.207 62.300 0.019 0.000 0.908 723 V CB 0.590 32.419 31.823 0.010 0.000 1.001 723 V HN 2.265 nan 8.190 nan 0.000 0.431 724 G N 2.425 111.229 108.800 0.007 0.000 2.888 724 G HA2 0.303 4.267 3.960 0.007 0.000 0.441 724 G HA3 0.303 4.267 3.960 0.007 0.000 0.441 724 G C 0.257 175.161 174.900 0.006 0.000 1.461 724 G CA -0.083 45.019 45.100 0.003 0.000 0.897 724 G HN 2.064 nan 8.290 nan 0.000 0.547 725 G N -0.264 108.538 108.800 0.004 0.000 2.580 725 G HA2 0.507 4.472 3.960 0.007 0.000 0.278 725 G HA3 0.507 4.472 3.960 0.007 0.000 0.278 725 G C 0.312 175.213 174.900 0.002 0.000 1.212 725 G CA -0.017 45.082 45.100 -0.001 0.000 0.939 725 G HN 0.898 nan 8.290 nan 0.000 0.513 726 N N -0.754 117.933 118.700 -0.023 0.000 2.415 726 N HA 0.070 4.814 4.740 0.007 0.000 0.248 726 N C 1.477 176.976 175.510 -0.019 0.000 1.271 726 N CA -0.342 52.679 53.050 -0.049 0.000 0.913 726 N CB 1.172 39.596 38.487 -0.105 0.000 1.129 726 N HN 0.315 nan 8.380 nan 0.000 0.444 727 L N -0.547 120.643 121.223 -0.055 0.000 2.307 727 L HA 0.075 4.419 4.340 0.007 0.000 0.211 727 L C 0.153 176.922 176.870 -0.169 0.000 1.099 727 L CA 0.619 55.472 54.840 0.021 0.000 0.816 727 L CB -0.306 41.740 42.059 -0.021 0.000 0.952 727 L HN 0.603 nan 8.230 nan 0.000 0.455 728 D N -2.408 117.797 120.400 -0.326 0.000 2.626 728 D HA 0.230 4.874 4.640 0.007 0.000 0.278 728 D C -0.922 175.214 176.300 -0.273 0.000 1.211 728 D CA -0.588 53.209 54.000 -0.339 0.000 0.903 728 D CB 1.367 41.797 40.800 -0.618 0.000 1.408 728 D HN -0.317 nan 8.370 nan 0.000 0.454 729 S N -0.479 115.083 115.700 -0.230 0.000 2.448 729 S HA 0.732 5.206 4.470 0.007 0.000 0.320 729 S C 0.345 174.794 174.600 -0.252 0.000 1.071 729 S CA -0.610 57.462 58.200 -0.213 0.000 1.113 729 S CB 0.608 63.717 63.200 -0.152 0.000 0.972 729 S HN 0.781 nan 8.310 nan 0.000 0.465 730 K N 1.107 121.324 120.400 -0.305 0.000 2.270 730 K HA 0.986 5.311 4.320 0.007 0.000 0.248 730 K C 0.213 176.573 176.600 -0.400 0.000 1.076 730 K CA -0.629 55.445 56.287 -0.355 0.000 0.957 730 K CB 0.432 32.684 32.500 -0.413 0.000 1.400 730 K HN 1.109 nan 8.250 nan 0.000 0.573 731 G N -0.724 107.768 108.800 -0.514 0.000 2.433 731 G HA2 0.462 4.427 3.960 0.007 0.000 0.306 731 G HA3 0.462 4.427 3.960 0.007 0.000 0.306 731 G C -1.667 172.889 174.900 -0.574 0.000 1.627 731 G CA -0.709 44.054 45.100 -0.561 0.000 0.893 731 G HN 0.520 nan 8.290 nan 0.000 0.648 732 Y N 0.274 120.290 120.300 -0.474 0.000 2.316 732 Y HA 0.773 5.327 4.550 0.007 0.000 0.324 732 Y C 1.120 176.775 175.900 -0.409 0.000 1.267 732 Y CA 0.052 57.861 58.100 -0.485 0.000 1.311 732 Y CB 1.936 40.008 38.460 -0.647 0.000 1.267 732 Y HN 0.873 nan 8.280 nan 0.000 0.516 733 G N 0.709 109.681 108.800 0.287 0.000 2.677 733 G HA2 0.508 4.472 3.960 0.007 0.000 0.291 733 G HA3 0.508 4.472 3.960 0.007 0.000 0.291 733 G C -1.845 173.449 174.900 0.657 0.000 1.435 733 G CA -0.960 44.470 45.100 0.550 0.000 0.826 733 G HN 0.350 nan 8.290 nan 0.000 0.491 734 I N 1.500 122.338 120.570 0.447 0.000 2.396 734 I HA 0.418 4.592 4.170 0.007 0.000 0.289 734 I C 0.919 177.056 176.117 0.034 0.000 1.056 734 I CA -0.579 60.830 61.300 0.182 0.000 1.365 734 I CB 0.598 38.635 38.000 0.061 0.000 1.407 734 I HN 0.554 nan 8.210 nan 0.000 0.509 735 A N 5.225 127.972 122.820 -0.122 0.000 2.301 735 A HA 0.613 4.938 4.320 0.007 0.000 0.298 735 A C 0.215 177.616 177.584 -0.306 0.000 1.185 735 A CA -0.344 51.428 52.037 -0.443 0.000 0.830 735 A CB 0.830 19.477 19.000 -0.588 0.000 1.112 735 A HN 0.718 nan 8.150 nan 0.000 0.508 736 T N 3.249 117.611 114.554 -0.321 0.000 2.886 736 T HA 0.628 4.982 4.350 0.007 0.000 0.292 736 T C -3.028 171.526 174.700 -0.243 0.000 1.012 736 T CA -1.784 60.176 62.100 -0.233 0.000 0.982 736 T CB 1.262 70.028 68.868 -0.170 0.000 1.018 736 T HN 0.332 nan 8.240 nan 0.000 0.451 737 P HA 0.196 nan 4.420 nan 0.000 0.263 737 P C -0.406 176.792 177.300 -0.171 0.000 1.175 737 P CA 0.184 63.162 63.100 -0.204 0.000 0.761 737 P CB 0.060 31.661 31.700 -0.164 0.000 0.794 738 K N 2.579 122.876 120.400 -0.172 0.000 2.491 738 K HA 0.340 4.664 4.320 0.007 0.000 0.279 738 K C 1.223 177.765 176.600 -0.096 0.000 1.026 738 K CA 0.311 56.521 56.287 -0.128 0.000 1.070 738 K CB -1.469 30.959 32.500 -0.120 0.000 0.887 738 K HN 1.010 nan 8.250 nan 0.000 0.481 739 G N 1.103 109.856 108.800 -0.078 0.000 2.256 739 G HA2 -0.167 3.798 3.960 0.007 0.000 0.272 739 G HA3 -0.167 3.798 3.960 0.007 0.000 0.272 739 G C 0.310 175.171 174.900 -0.065 0.000 1.076 739 G CA 0.554 45.618 45.100 -0.060 0.000 0.882 739 G HN 1.578 nan 8.290 nan 0.000 0.497 740 S N -1.059 114.594 115.700 -0.078 0.000 2.672 740 S HA 0.720 5.195 4.470 0.007 0.000 0.276 740 S C 1.902 176.461 174.600 -0.070 0.000 1.207 740 S CA 0.697 58.847 58.200 -0.083 0.000 1.002 740 S CB 1.195 64.330 63.200 -0.109 0.000 0.998 740 S HN 1.341 nan 8.310 nan 0.000 0.542 741 S N 2.585 118.242 115.700 -0.072 0.000 2.414 741 S HA 0.065 4.539 4.470 0.007 0.000 0.227 741 S C 1.669 176.231 174.600 -0.063 0.000 1.022 741 S CA 0.413 58.578 58.200 -0.058 0.000 0.958 741 S CB -0.614 62.554 63.200 -0.054 0.000 0.797 741 S HN 0.677 nan 8.310 nan 0.000 0.493 742 L N 1.659 122.823 121.223 -0.098 0.000 2.552 742 L HA 0.161 4.506 4.340 0.007 0.000 0.227 742 L C 2.626 179.455 176.870 -0.068 0.000 1.146 742 L CA 0.337 55.113 54.840 -0.106 0.000 0.858 742 L CB -1.158 40.781 42.059 -0.200 0.000 0.969 742 L HN 0.491 nan 8.230 nan 0.000 0.451 743 G N 0.673 109.434 108.800 -0.065 0.000 2.739 743 G HA2 -0.320 3.644 3.960 0.007 0.000 0.216 743 G HA3 -0.320 3.644 3.960 0.007 0.000 0.216 743 G C 1.464 176.351 174.900 -0.022 0.000 1.298 743 G CA 1.570 46.640 45.100 -0.050 0.000 0.804 743 G HN 0.244 nan 8.290 nan 0.000 0.623 744 T N 2.533 117.080 114.554 -0.012 0.000 2.665 744 T HA -0.092 4.262 4.350 0.007 0.000 0.268 744 T C 0.304 175.013 174.700 0.015 0.000 1.035 744 T CA 1.896 63.998 62.100 0.003 0.000 1.151 744 T CB -1.071 67.799 68.868 0.004 0.000 0.862 744 T HN 0.259 nan 8.240 nan 0.000 0.438 745 P HA -0.056 nan 4.420 nan 0.000 0.214 745 P C 1.748 179.080 177.300 0.053 0.000 1.163 745 P CA 0.682 63.809 63.100 0.045 0.000 0.889 745 P CB -0.296 31.438 31.700 0.056 0.000 0.790 746 V N 0.041 119.982 119.914 0.045 0.000 2.332 746 V HA -0.278 3.847 4.120 0.007 0.000 0.248 746 V C 2.407 178.523 176.094 0.037 0.000 1.055 746 V CA 2.298 64.626 62.300 0.047 0.000 1.038 746 V CB -1.489 30.348 31.823 0.022 0.000 0.651 746 V HN 0.175 nan 8.190 nan 0.000 0.450 747 N N 0.590 119.309 118.700 0.031 0.000 2.036 747 N HA -0.192 4.552 4.740 0.007 0.000 0.195 747 N C 1.652 177.181 175.510 0.032 0.000 1.037 747 N CA 2.004 55.077 53.050 0.039 0.000 0.855 747 N CB -0.403 38.102 38.487 0.031 0.000 1.033 747 N HN 0.460 nan 8.380 nan 0.000 0.423 748 L N -0.332 120.906 121.223 0.025 0.000 2.083 748 L HA -0.080 4.264 4.340 0.007 0.000 0.209 748 L C 2.494 179.362 176.870 -0.004 0.000 1.083 748 L CA 1.161 56.010 54.840 0.016 0.000 0.752 748 L CB -0.707 41.365 42.059 0.023 0.000 0.899 748 L HN 0.233 nan 8.230 nan 0.000 0.433 749 A N -0.013 122.806 122.820 -0.003 0.000 1.908 749 A HA -0.160 4.164 4.320 0.007 0.000 0.218 749 A C 2.362 179.891 177.584 -0.092 0.000 1.181 749 A CA 1.928 53.928 52.037 -0.062 0.000 0.627 749 A CB -0.855 18.144 19.000 -0.001 0.000 0.818 749 A HN 0.194 nan 8.150 nan 0.000 0.445 750 V N 0.066 119.970 119.914 -0.018 0.000 2.343 750 V HA -0.265 3.859 4.120 0.007 0.000 0.247 750 V C 2.561 178.667 176.094 0.020 0.000 1.051 750 V CA 1.977 64.291 62.300 0.022 0.000 1.036 750 V CB -0.785 31.096 31.823 0.098 0.000 0.654 750 V HN 0.571 nan 8.190 nan 0.000 0.451 751 L N -0.284 120.947 121.223 0.014 0.000 2.083 751 L HA -0.209 4.135 4.340 0.007 0.000 0.209 751 L C 2.594 179.454 176.870 -0.016 0.000 1.083 751 L CA 1.867 56.714 54.840 0.010 0.000 0.752 751 L CB -0.571 41.495 42.059 0.012 0.000 0.899 751 L HN 0.317 nan 8.230 nan 0.000 0.433 752 K N 0.577 120.944 120.400 -0.056 0.000 2.057 752 K HA -0.156 4.169 4.320 0.007 0.000 0.206 752 K C 2.153 178.687 176.600 -0.109 0.000 1.050 752 K CA 1.148 57.381 56.287 -0.090 0.000 0.935 752 K CB -0.024 32.383 32.500 -0.154 0.000 0.715 752 K HN 0.220 nan 8.250 nan 0.000 0.439 753 L N 0.935 122.071 121.223 -0.145 0.000 2.046 753 L HA -0.187 4.158 4.340 0.007 0.000 0.208 753 L C 2.663 179.529 176.870 -0.007 0.000 1.077 753 L CA 1.580 56.361 54.840 -0.099 0.000 0.747 753 L CB -0.614 41.388 42.059 -0.095 0.000 0.896 753 L HN 0.357 nan 8.230 nan 0.000 0.432 754 S N -0.558 115.153 115.700 0.019 0.000 2.368 754 S HA -0.184 4.290 4.470 0.007 0.000 0.224 754 S C 1.713 176.332 174.600 0.032 0.000 1.029 754 S CA 1.011 59.240 58.200 0.048 0.000 0.988 754 S CB -0.348 62.888 63.200 0.059 0.000 0.838 754 S HN 0.467 nan 8.310 nan 0.000 0.462 755 E N 1.211 121.421 120.200 0.016 0.000 2.204 755 E HA -0.078 4.276 4.350 0.007 0.000 0.194 755 E C 2.063 178.674 176.600 0.018 0.000 0.989 755 E CA 0.952 57.361 56.400 0.014 0.000 0.824 755 E CB -0.184 29.521 29.700 0.008 0.000 0.756 755 E HN 0.700 nan 8.360 nan 0.000 0.477 756 Q N -0.377 119.433 119.800 0.016 0.000 2.444 756 Q HA 0.048 4.392 4.340 0.007 0.000 0.206 756 Q C 0.947 176.968 176.000 0.035 0.000 0.948 756 Q CA 0.371 56.190 55.803 0.026 0.000 0.946 756 Q CB 0.553 29.308 28.738 0.028 0.000 1.027 756 Q HN 0.388 nan 8.270 nan 0.000 0.513 757 G N 1.327 110.150 108.800 0.039 0.000 2.180 757 G HA2 -0.325 3.639 3.960 0.007 0.000 0.263 757 G HA3 -0.325 3.639 3.960 0.007 0.000 0.263 757 G C 0.551 175.492 174.900 0.068 0.000 0.989 757 G CA 0.588 45.718 45.100 0.052 0.000 0.692 757 G HN 0.471 nan 8.290 nan 0.000 0.526 758 L N -0.541 120.719 121.223 0.062 0.000 2.109 758 L HA 0.172 4.516 4.340 0.007 0.000 0.207 758 L C 2.870 179.799 176.870 0.098 0.000 1.086 758 L CA 1.456 56.337 54.840 0.069 0.000 0.760 758 L CB -0.173 41.914 42.059 0.046 0.000 0.910 758 L HN 0.427 nan 8.230 nan 0.000 0.437 759 L N -0.633 120.660 121.223 0.117 0.000 2.005 759 L HA -0.228 4.117 4.340 0.007 0.000 0.207 759 L C 2.209 179.238 176.870 0.266 0.000 1.072 759 L CA 1.293 56.258 54.840 0.209 0.000 0.744 759 L CB -0.808 41.394 42.059 0.238 0.000 0.895 759 L HN 0.265 nan 8.230 nan 0.000 0.433 760 D N 0.097 120.604 120.400 0.178 0.000 2.149 760 D HA -0.215 4.429 4.640 0.007 0.000 0.198 760 D C 2.059 178.470 176.300 0.185 0.000 0.990 760 D CA 1.163 55.255 54.000 0.154 0.000 0.839 760 D CB -0.109 40.748 40.800 0.095 0.000 0.948 760 D HN 0.240 nan 8.370 nan 0.000 0.460 761 K N 0.570 121.068 120.400 0.164 0.000 2.026 761 K HA -0.102 4.222 4.320 0.007 0.000 0.208 761 K C 2.254 178.988 176.600 0.223 0.000 1.048 761 K CA 0.712 57.093 56.287 0.156 0.000 0.929 761 K CB -0.196 32.369 32.500 0.110 0.000 0.713 761 K HN 0.107 nan 8.250 nan 0.000 0.439 762 L N 1.094 122.481 121.223 0.274 0.000 2.042 762 L HA -0.214 4.130 4.340 0.007 0.000 0.210 762 L C 2.790 180.099 176.870 0.732 0.000 1.076 762 L CA 1.580 56.665 54.840 0.408 0.000 0.749 762 L CB -0.451 41.716 42.059 0.180 0.000 0.893 762 L HN 0.300 nan 8.230 nan 0.000 0.432 763 K N 0.220 121.042 120.400 0.704 0.000 2.026 763 K HA -0.204 4.120 4.320 0.007 0.000 0.208 763 K C 1.897 178.820 176.600 0.538 0.000 1.048 763 K CA 1.771 58.376 56.287 0.530 0.000 0.929 763 K CB -0.008 32.489 32.500 -0.005 0.000 0.713 763 K HN 0.246 nan 8.250 nan 0.000 0.439 764 N N 1.228 120.169 118.700 0.400 0.000 2.205 764 N HA -0.192 4.552 4.740 0.007 0.000 0.186 764 N C 1.506 177.213 175.510 0.328 0.000 1.015 764 N CA 1.127 54.428 53.050 0.417 0.000 0.862 764 N CB -0.142 38.514 38.487 0.282 0.000 0.986 764 N HN 0.316 nan 8.380 nan 0.000 0.429 765 K N -0.627 119.919 120.400 0.243 0.000 2.097 765 K HA -0.102 4.222 4.320 0.007 0.000 0.205 765 K C 1.187 177.712 176.600 -0.125 0.000 1.050 765 K CA 1.058 57.330 56.287 -0.024 0.000 0.938 765 K CB -0.065 32.315 32.500 -0.200 0.000 0.718 765 K HN 0.205 nan 8.250 nan 0.000 0.442 766 W N -1.128 120.344 121.300 0.287 0.000 2.872 766 W HA 0.146 4.810 4.660 0.007 0.000 0.266 766 W C 1.859 178.395 176.519 0.028 0.000 1.276 766 W CA -0.719 56.707 57.345 0.135 0.000 1.471 766 W CB 0.067 29.568 29.460 0.068 0.000 1.071 766 W HN 0.112 nan 8.180 nan 0.000 0.619 767 W N -1.495 119.881 121.300 0.127 0.000 2.633 767 W HA -0.036 4.629 4.660 0.007 0.000 0.295 767 W C 1.526 177.872 176.519 -0.289 0.000 1.133 767 W CA 1.090 58.342 57.345 -0.155 0.000 1.490 767 W CB -0.806 28.352 29.460 -0.502 0.000 1.127 767 W HN -0.095 nan 8.180 nan 0.000 0.538 768 Y N 0.207 120.702 120.300 0.325 0.000 2.422 768 Y HA -0.012 4.542 4.550 0.007 0.000 0.291 768 Y C 2.144 178.102 175.900 0.096 0.000 1.144 768 Y CA 0.561 58.765 58.100 0.173 0.000 1.208 768 Y CB -1.076 37.472 38.460 0.147 0.000 1.195 768 Y HN -0.250 nan 8.280 nan 0.000 0.535 769 D N 0.605 121.146 120.400 0.235 0.000 2.084 769 D HA -0.150 4.494 4.640 0.007 0.000 0.194 769 D C 1.759 178.082 176.300 0.038 0.000 0.990 769 D CA 1.477 55.539 54.000 0.102 0.000 0.826 769 D CB -0.163 40.666 40.800 0.049 0.000 0.971 769 D HN 0.020 nan 8.370 nan 0.000 0.453 770 K N 0.526 120.930 120.400 0.007 0.000 2.525 770 K HA 0.142 4.467 4.320 0.007 0.000 0.192 770 K C 0.764 177.371 176.600 0.012 0.000 1.029 770 K CA -0.075 56.197 56.287 -0.024 0.000 1.029 770 K CB -0.102 32.358 32.500 -0.066 0.000 0.814 770 K HN 0.088 nan 8.250 nan 0.000 0.503 771 G N 0.206 109.023 108.800 0.028 0.000 2.636 771 G HA2 -0.005 3.959 3.960 0.007 0.000 0.246 771 G HA3 -0.005 3.959 3.960 0.007 0.000 0.246 771 G C -0.186 174.710 174.900 -0.007 0.000 1.216 771 G CA -0.381 44.712 45.100 -0.011 0.000 0.854 771 G HN 0.381 nan 8.290 nan 0.000 0.572 772 E N -1.234 118.944 120.200 -0.036 0.000 2.498 772 E HA 0.130 4.484 4.350 0.007 0.000 0.203 772 E C -0.352 176.247 176.600 -0.002 0.000 1.013 772 E CA -0.050 56.339 56.400 -0.018 0.000 0.927 772 E CB 0.666 30.345 29.700 -0.034 0.000 1.012 772 E HN 0.257 nan 8.360 nan 0.000 0.482 773 c N 1.544 120.151 118.600 0.011 0.000 3.002 773 c HA 0.396 4.971 4.570 0.007 0.000 0.248 773 c C 0.826 174.954 174.090 0.063 0.000 1.153 773 c CA -1.225 55.122 56.329 0.029 0.000 1.502 773 c CB 0.004 42.526 42.510 0.021 0.000 1.805 773 c HN 0.330 nan 8.230 nan 0.000 0.450 774 G N 1.593 110.426 108.800 0.055 0.000 2.563 774 G HA2 0.388 4.352 3.960 0.007 0.000 0.295 774 G HA3 0.388 4.352 3.960 0.007 0.000 0.295 774 G C 0.954 175.886 174.900 0.054 0.000 0.874 774 G CA 0.632 45.769 45.100 0.062 0.000 1.642 774 G HN 0.941 nan 8.290 nan 0.000 0.483 775 A N 3.151 126.012 122.820 0.069 0.000 1.873 775 A HA 0.122 4.446 4.320 0.007 0.000 0.215 775 A C 2.561 180.163 177.584 0.030 0.000 1.186 775 A CA 2.238 54.307 52.037 0.054 0.000 0.616 775 A CB -0.479 18.564 19.000 0.072 0.000 0.823 775 A HN 0.824 nan 8.150 nan 0.000 0.442 776 K N -1.059 119.350 120.400 0.016 0.000 2.439 776 K HA 0.155 4.479 4.320 0.007 0.000 0.197 776 K C 1.480 178.084 176.600 0.007 0.000 1.041 776 K CA 1.776 58.063 56.287 0.001 0.000 0.970 776 K CB -1.647 30.839 32.500 -0.023 0.000 0.773 776 K HN 0.786 nan 8.250 nan 0.000 0.479 777 D N -0.815 119.595 120.400 0.016 0.000 2.301 777 D HA 0.255 4.900 4.640 0.007 0.000 0.206 777 D C 2.348 178.659 176.300 0.018 0.000 0.979 777 D CA 1.213 55.222 54.000 0.016 0.000 0.874 777 D CB -0.360 40.453 40.800 0.021 0.000 0.968 777 D HN 0.610 nan 8.370 nan 0.000 0.510 778 S N 0.013 115.726 115.700 0.022 0.000 2.461 778 S HA 0.358 4.833 4.470 0.007 0.000 0.228 778 S C 2.310 176.922 174.600 0.020 0.000 1.005 778 S CA 1.495 59.708 58.200 0.022 0.000 0.942 778 S CB -0.238 62.978 63.200 0.027 0.000 0.776 778 S HN 0.539 nan 8.310 nan 0.000 0.514 779 G N 0.043 108.854 108.800 0.019 0.000 2.603 779 G HA2 0.364 4.328 3.960 0.007 0.000 0.214 779 G HA3 0.364 4.328 3.960 0.007 0.000 0.214 779 G C 1.476 176.383 174.900 0.012 0.000 1.140 779 G CA 1.166 46.276 45.100 0.017 0.000 0.800 779 G HN 0.679 nan 8.290 nan 0.000 0.533 780 S N -0.234 115.473 115.700 0.010 0.000 2.558 780 S HA 0.469 4.943 4.470 0.007 0.000 0.217 780 S C 1.427 176.032 174.600 0.009 0.000 0.975 780 S CA 0.911 59.115 58.200 0.007 0.000 0.912 780 S CB -0.190 63.013 63.200 0.005 0.000 0.776 780 S HN 0.529 nan 8.310 nan 0.000 0.526 781 K N 1.590 121.996 120.400 0.011 0.000 2.150 781 K HA 0.606 4.931 4.320 0.007 0.000 0.261 781 K C 0.075 176.682 176.600 0.012 0.000 1.127 781 K CA 0.169 56.463 56.287 0.011 0.000 0.989 781 K CB -1.216 31.293 32.500 0.013 0.000 1.475 781 K HN 0.602 nan 8.250 nan 0.000 0.391 782 E N 1.187 121.392 120.200 0.009 0.000 2.346 782 E HA 0.443 4.798 4.350 0.007 0.000 0.317 782 E C 0.436 177.041 176.600 0.009 0.000 1.404 782 E CA 0.127 56.533 56.400 0.009 0.000 1.534 782 E CB -0.716 28.988 29.700 0.006 0.000 1.309 782 E HN 1.025 nan 8.360 nan 0.000 0.499 783 K N -0.039 120.368 120.400 0.011 0.000 3.335 783 K HA 0.636 4.961 4.320 0.007 0.000 0.179 783 K C 0.043 176.650 176.600 0.013 0.000 1.179 783 K CA 0.181 56.474 56.287 0.011 0.000 0.763 783 K CB -0.166 32.339 32.500 0.009 0.000 1.022 783 K HN 1.186 nan 8.250 nan 0.000 0.560 784 T N -0.428 114.135 114.554 0.015 0.000 3.548 784 T HA 0.797 5.151 4.350 0.007 0.000 0.329 784 T C -0.184 174.528 174.700 0.020 0.000 0.960 784 T CA 0.295 62.406 62.100 0.017 0.000 1.041 784 T CB 0.405 69.285 68.868 0.019 0.000 1.065 784 T HN 1.485 nan 8.240 nan 0.000 0.459 785 S N 0.691 116.403 115.700 0.020 0.000 2.592 785 S HA 0.995 5.469 4.470 0.007 0.000 0.275 785 S C -0.497 174.116 174.600 0.022 0.000 1.169 785 S CA -0.139 58.075 58.200 0.023 0.000 0.958 785 S CB 0.704 63.916 63.200 0.021 0.000 1.095 785 S HN 2.187 nan 8.310 nan 0.000 0.471 786 A N 2.233 125.068 122.820 0.025 0.000 2.513 786 A HA 0.631 4.955 4.320 0.007 0.000 0.285 786 A C -0.879 176.722 177.584 0.028 0.000 1.047 786 A CA -0.451 51.600 52.037 0.024 0.000 0.864 786 A CB 0.434 19.446 19.000 0.020 0.000 1.373 786 A HN 1.619 nan 8.150 nan 0.000 0.403 787 L N 1.719 122.960 121.223 0.031 0.000 2.482 787 L HA 0.577 4.922 4.340 0.007 0.000 0.273 787 L C 0.810 177.699 176.870 0.033 0.000 1.228 787 L CA 1.145 56.008 54.840 0.038 0.000 0.827 787 L CB 1.225 43.311 42.059 0.045 0.000 1.099 787 L HN 0.814 nan 8.230 nan 0.000 0.494 788 S N 1.670 117.392 115.700 0.038 0.000 2.726 788 S HA 0.457 4.931 4.470 0.007 0.000 0.308 788 S C 0.311 174.929 174.600 0.030 0.000 1.115 788 S CA -0.548 57.670 58.200 0.029 0.000 0.965 788 S CB 1.184 64.402 63.200 0.030 0.000 1.145 788 S HN 0.673 nan 8.310 nan 0.000 0.532 789 L N 2.650 123.882 121.223 0.014 0.000 2.463 789 L HA 0.237 4.581 4.340 0.007 0.000 0.219 789 L C 2.258 179.137 176.870 0.014 0.000 1.088 789 L CA 1.928 56.769 54.840 0.002 0.000 0.849 789 L CB -0.898 41.138 42.059 -0.039 0.000 1.012 789 L HN 0.855 nan 8.230 nan 0.000 0.468 790 S N 0.287 115.997 115.700 0.017 0.000 2.389 790 S HA -0.332 4.143 4.470 0.007 0.000 0.229 790 S C 1.989 176.606 174.600 0.028 0.000 1.048 790 S CA 1.866 60.077 58.200 0.018 0.000 1.117 790 S CB -1.262 61.947 63.200 0.015 0.000 1.020 790 S HN 0.624 nan 8.310 nan 0.000 0.430 791 N N 1.773 120.502 118.700 0.048 0.000 2.069 791 N HA -0.096 4.648 4.740 0.007 0.000 0.191 791 N C 1.697 177.226 175.510 0.032 0.000 1.031 791 N CA 1.929 55.020 53.050 0.069 0.000 0.852 791 N CB -1.020 37.547 38.487 0.133 0.000 1.018 791 N HN 0.398 nan 8.380 nan 0.000 0.423 792 V N 1.057 121.019 119.914 0.080 0.000 2.490 792 V HA -0.154 3.970 4.120 0.007 0.000 0.250 792 V C 2.493 178.719 176.094 0.221 0.000 1.061 792 V CA 1.635 64.015 62.300 0.133 0.000 1.064 792 V CB -1.228 30.710 31.823 0.192 0.000 0.670 792 V HN 0.442 nan 8.190 nan 0.000 0.461 793 A N 0.932 123.836 122.820 0.139 0.000 1.902 793 A HA -0.089 4.235 4.320 0.007 0.000 0.217 793 A C 2.455 180.204 177.584 0.275 0.000 1.181 793 A CA 1.841 53.984 52.037 0.178 0.000 0.623 793 A CB -1.226 17.855 19.000 0.134 0.000 0.818 793 A HN 0.525 nan 8.150 nan 0.000 0.443 794 G N -0.672 108.172 108.800 0.074 0.000 2.462 794 G HA2 -0.111 3.854 3.960 0.007 0.000 0.220 794 G HA3 -0.111 3.854 3.960 0.007 0.000 0.220 794 G C 1.335 176.139 174.900 -0.160 0.000 1.121 794 G CA 1.335 46.399 45.100 -0.061 0.000 0.758 794 G HN 0.389 nan 8.290 nan 0.000 0.559 795 V N -0.366 119.402 119.914 -0.245 0.000 3.129 795 V HA 0.106 4.230 4.120 0.007 0.000 0.259 795 V C 2.203 178.175 176.094 -0.203 0.000 1.116 795 V CA 0.672 62.780 62.300 -0.320 0.000 1.127 795 V CB -0.484 31.113 31.823 -0.377 0.000 0.742 795 V HN 0.287 nan 8.190 nan 0.000 0.474 796 F N -0.687 119.175 119.950 -0.147 0.000 2.234 796 F HA -0.030 4.502 4.527 0.007 0.000 0.296 796 F C 2.197 177.869 175.800 -0.213 0.000 1.089 796 F CA 1.465 59.350 58.000 -0.193 0.000 1.343 796 F CB -0.454 38.383 39.000 -0.271 0.000 1.040 796 F HN 0.114 nan 8.300 nan 0.000 0.498 797 Y N -0.630 119.700 120.300 0.051 0.000 2.242 797 Y HA -0.192 4.362 4.550 0.007 0.000 0.291 797 Y C 2.452 178.320 175.900 -0.053 0.000 1.137 797 Y CA 1.248 59.342 58.100 -0.011 0.000 1.181 797 Y CB -0.525 37.908 38.460 -0.044 0.000 0.989 797 Y HN 0.035 nan 8.280 nan 0.000 0.527 798 I N -0.589 120.011 120.570 0.049 0.000 2.676 798 I HA -0.217 3.957 4.170 0.007 0.000 0.259 798 I C 2.005 178.089 176.117 -0.055 0.000 1.194 798 I CA 0.724 62.005 61.300 -0.032 0.000 1.473 798 I CB 0.051 37.991 38.000 -0.101 0.000 1.096 798 I HN 0.256 nan 8.210 nan 0.000 0.443 799 L N 0.131 121.306 121.223 -0.080 0.000 2.007 799 L HA -0.082 4.263 4.340 0.007 0.000 0.205 799 L C 2.295 179.133 176.870 -0.053 0.000 1.073 799 L CA 1.796 56.578 54.840 -0.096 0.000 0.744 799 L CB -0.699 41.255 42.059 -0.174 0.000 0.898 799 L HN 0.011 nan 8.230 nan 0.000 0.435 800 V N 0.609 120.500 119.914 -0.037 0.000 2.469 800 V HA -0.222 3.903 4.120 0.007 0.000 0.251 800 V C 2.621 178.713 176.094 -0.002 0.000 1.064 800 V CA 1.730 64.019 62.300 -0.019 0.000 1.066 800 V CB -1.746 30.062 31.823 -0.025 0.000 0.667 800 V HN 0.662 nan 8.190 nan 0.000 0.461 801 G N 0.051 108.856 108.800 0.008 0.000 2.422 801 G HA2 -0.131 3.834 3.960 0.007 0.000 0.218 801 G HA3 -0.131 3.834 3.960 0.007 0.000 0.218 801 G C 1.594 176.492 174.900 -0.003 0.000 1.146 801 G CA 0.880 45.986 45.100 0.010 0.000 0.769 801 G HN 0.584 nan 8.290 nan 0.000 0.547 802 G N 0.754 109.545 108.800 -0.015 0.000 2.403 802 G HA2 -0.074 3.890 3.960 0.007 0.000 0.216 802 G HA3 -0.074 3.890 3.960 0.007 0.000 0.216 802 G C 1.789 176.686 174.900 -0.005 0.000 1.154 802 G CA 0.571 45.662 45.100 -0.015 0.000 0.784 802 G HN 0.417 nan 8.290 nan 0.000 0.538 803 L N 0.757 121.976 121.223 -0.007 0.000 2.046 803 L HA 0.021 4.365 4.340 0.007 0.000 0.208 803 L C 3.156 180.031 176.870 0.008 0.000 1.077 803 L CA 1.076 55.916 54.840 0.000 0.000 0.747 803 L CB -0.673 41.384 42.059 -0.004 0.000 0.896 803 L HN 0.313 nan 8.230 nan 0.000 0.432 804 G N 0.137 108.941 108.800 0.007 0.000 2.418 804 G HA2 -0.266 3.698 3.960 0.007 0.000 0.217 804 G HA3 -0.266 3.698 3.960 0.007 0.000 0.217 804 G C 1.579 176.488 174.900 0.015 0.000 1.158 804 G CA 0.616 45.723 45.100 0.012 0.000 0.771 804 G HN 0.213 nan 8.290 nan 0.000 0.545 805 L N 1.356 122.586 121.223 0.012 0.000 2.083 805 L HA 0.145 4.490 4.340 0.007 0.000 0.209 805 L C 2.959 179.842 176.870 0.021 0.000 1.083 805 L CA 2.110 56.958 54.840 0.014 0.000 0.752 805 L CB -0.627 41.436 42.059 0.007 0.000 0.899 805 L HN 0.224 nan 8.230 nan 0.000 0.433 806 A N -1.065 121.768 122.820 0.022 0.000 1.897 806 A HA -0.139 4.185 4.320 0.007 0.000 0.215 806 A C 2.137 179.747 177.584 0.044 0.000 1.181 806 A CA 1.699 53.755 52.037 0.031 0.000 0.620 806 A CB -0.479 18.538 19.000 0.028 0.000 0.821 806 A HN 0.441 nan 8.150 nan 0.000 0.443 807 M N -0.913 118.711 119.600 0.039 0.000 2.358 807 M HA -0.068 4.416 4.480 0.007 0.000 0.264 807 M C 1.958 178.288 176.300 0.050 0.000 1.064 807 M CA 1.012 56.340 55.300 0.046 0.000 1.093 807 M CB -1.136 31.482 32.600 0.029 0.000 1.401 807 M HN 0.461 nan 8.290 nan 0.000 0.440 808 L N -0.389 120.859 121.223 0.041 0.000 2.127 808 L HA 0.024 4.369 4.340 0.007 0.000 0.203 808 L C 2.164 179.064 176.870 0.051 0.000 1.080 808 L CA 1.106 55.969 54.840 0.039 0.000 0.768 808 L CB -0.492 41.584 42.059 0.028 0.000 0.924 808 L HN -0.013 nan 8.230 nan 0.000 0.444 809 V N 0.180 120.125 119.914 0.052 0.000 2.626 809 V HA -0.190 3.934 4.120 0.007 0.000 0.252 809 V C 2.724 178.857 176.094 0.065 0.000 1.067 809 V CA 1.310 63.644 62.300 0.056 0.000 1.081 809 V CB -1.245 30.603 31.823 0.041 0.000 0.686 809 V HN 0.548 nan 8.190 nan 0.000 0.468 810 A N 0.139 123.013 122.820 0.090 0.000 1.855 810 A HA -0.117 4.208 4.320 0.007 0.000 0.215 810 A C 2.202 179.947 177.584 0.268 0.000 1.191 810 A CA 1.597 53.728 52.037 0.157 0.000 0.613 810 A CB -0.515 18.617 19.000 0.221 0.000 0.829 810 A HN 0.466 nan 8.150 nan 0.000 0.442 811 L N 0.198 121.545 121.223 0.206 0.000 2.012 811 L HA -0.229 4.115 4.340 0.007 0.000 0.210 811 L C 2.677 179.615 176.870 0.114 0.000 1.073 811 L CA 1.889 56.838 54.840 0.182 0.000 0.748 811 L CB -0.804 41.297 42.059 0.070 0.000 0.891 811 L HN 0.692 nan 8.230 nan 0.000 0.431 812 I N -2.452 118.140 120.570 0.036 0.000 2.286 812 I HA -0.226 3.948 4.170 0.007 0.000 0.248 812 I C 2.119 178.195 176.117 -0.069 0.000 1.115 812 I CA 1.435 62.678 61.300 -0.095 0.000 1.392 812 I CB -0.525 37.481 38.000 0.009 0.000 1.065 812 I HN 0.266 nan 8.210 nan 0.000 0.418 813 E N 1.171 121.403 120.200 0.055 0.000 2.051 813 E HA -0.173 4.181 4.350 0.007 0.000 0.192 813 E C 2.051 178.604 176.600 -0.078 0.000 0.991 813 E CA 1.618 58.026 56.400 0.012 0.000 0.799 813 E CB -0.294 29.296 29.700 -0.184 0.000 0.748 813 E HN 0.575 nan 8.360 nan 0.000 0.449 814 F N 0.238 120.198 119.950 0.018 0.000 2.293 814 F HA -0.190 4.341 4.527 0.007 0.000 0.300 814 F C 2.404 178.186 175.800 -0.031 0.000 1.086 814 F CA 0.390 58.390 58.000 0.001 0.000 1.375 814 F CB -0.204 38.789 39.000 -0.010 0.000 1.045 814 F HN 0.133 nan 8.300 nan 0.000 0.516 815 C N -1.111 118.218 119.300 0.048 0.000 2.476 815 C HA -0.161 4.303 4.460 0.007 0.000 0.278 815 C C 2.569 177.500 174.990 -0.099 0.000 1.274 815 C CA 0.571 59.533 59.018 -0.094 0.000 1.713 815 C CB -1.224 26.357 27.740 -0.264 0.000 2.039 815 C HN 0.456 nan 8.230 nan 0.000 0.484 816 Y N 1.754 122.072 120.300 0.029 0.000 2.224 816 Y HA -0.047 4.508 4.550 0.007 0.000 0.289 816 Y C 1.980 177.886 175.900 0.010 0.000 1.146 816 Y CA 1.314 59.420 58.100 0.010 0.000 1.182 816 Y CB -0.649 37.806 38.460 -0.008 0.000 0.983 816 Y HN 0.320 nan 8.280 nan 0.000 0.524 817 K N 0.000 120.491 120.400 0.151 0.000 2.780 817 K HA 0.000 4.324 4.320 0.007 0.000 0.191 817 K CA 0.000 56.343 56.287 0.093 0.000 0.838 817 K CB 0.000 32.534 32.500 0.057 0.000 1.064 817 K HN 0.000 nan 8.250 nan 0.000 0.543