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 3a70_1_A DATA FIRST_RESID 2 DATA SEQUENCE GVYDYKNFGT ADSKALFSDA MAITLYSYHN LDNGFAAGYQ HNGFGLGLPA DATA SEQUENCE TLVTALLGGT DSQGVIPGIP WNPDSEKLAL DAVKKAGWTP ITASQLGYDG DATA SEQUENCE KTDARGTFFG EKAGYTTAQV EILGKYDAQG HLTEIGIAFR GTSGPRENLI DATA SEQUENCE LDSIGDVIND LLAAFGPKDY AKNYVGEAFG NLLNDVVAFA KANGLSGKDV DATA SEQUENCE LVSGHSLGGL AVNSMADLSG GKWGGFFADS NYIAYASPTQ SSTDKVLNVG DATA SEQUENCE YENDPVFRAL DGSTFTGASV GVHDAPKESA TDNIVSFNDH YASTAWNLLP DATA SEQUENCE FSILNIPTWI SHLPTAYGDG MNRIIESKFY DLTSKDSTII VANLSDPARA DATA SEQUENCE NTWVQDLNRN AETHKGSTFI IGSDSNDLIQ GGSGNDYLEG RAGNDTFRDG DATA SEQUENCE GGYNVILGGA GNNTLDLQKS VNTFDFANDG AGNLYVRDAN GGISITRDIG DATA SEQUENCE SIVTKEPXXX XXXXXDDVTH SVTASGLKVG SNVTQYDASV KGTNGADTLK DATA SEQUENCE AHAGGDWLFG LDGNDHLIGG VGNDVFVGGA GNDLMESGGG ADTFLFNGAF DATA SEQUENCE GQDRVVGFTS NDKLVFLGVQ GVLPNDDFRA HASMVGQDTV LKFGGDSVTL DATA SEQUENCE VGVALNSLSA DGIVIA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 2 G C 0.000 174.583 174.900 -0.528 0.000 0.946 2 G CA 0.000 44.684 45.100 -0.693 0.000 0.502 3 V N 0.847 120.288 119.914 -0.788 0.000 2.453 3 V HA -0.125 3.996 4.120 0.001 0.000 0.252 3 V C 1.558 177.461 176.094 -0.318 0.000 1.068 3 V CA 1.841 63.793 62.300 -0.581 0.000 1.070 3 V CB -0.562 30.779 31.823 -0.803 0.000 0.664 3 V HN 0.663 nan 8.190 nan 0.000 0.461 4 Y N 0.077 120.380 120.300 0.005 0.000 2.571 4 Y HA 0.389 4.940 4.550 0.001 0.000 0.275 4 Y C 0.601 176.616 175.900 0.191 0.000 1.179 4 Y CA -1.750 56.398 58.100 0.081 0.000 1.242 4 Y CB -0.841 37.557 38.460 -0.103 0.000 1.126 4 Y HN 0.262 nan 8.280 nan 0.000 0.524 5 D N 0.760 121.316 120.400 0.260 0.000 2.583 5 D HA -0.121 4.519 4.640 0.001 0.000 0.232 5 D C -0.695 175.815 176.300 0.350 0.000 1.128 5 D CA 0.989 55.146 54.000 0.262 0.000 0.859 5 D CB 0.284 41.166 40.800 0.138 0.000 1.169 5 D HN 0.201 nan 8.370 nan 0.000 0.481 6 Y N 2.890 123.339 120.300 0.249 0.000 2.361 6 Y HA 0.214 4.764 4.550 0.001 0.000 0.337 6 Y C 0.710 176.782 175.900 0.287 0.000 0.965 6 Y CA -0.751 57.517 58.100 0.280 0.000 1.091 6 Y CB 0.759 39.420 38.460 0.336 0.000 1.182 6 Y HN 0.435 nan 8.280 nan 0.000 0.450 7 K N 2.331 122.539 120.400 -0.319 0.000 1.867 7 K HA -0.393 3.928 4.320 0.001 0.000 0.140 7 K C -0.095 176.353 176.600 -0.254 0.000 1.408 7 K CA 2.031 58.067 56.287 -0.417 0.000 0.461 7 K CB -0.893 31.190 32.500 -0.693 0.000 0.594 7 K HN 0.904 nan 8.250 nan 0.000 0.888 8 N N -0.022 118.431 118.700 -0.412 0.000 2.214 8 N HA 0.198 4.938 4.740 0.001 0.000 0.214 8 N C -0.601 174.782 175.510 -0.212 0.000 1.132 8 N CA -0.440 52.448 53.050 -0.270 0.000 0.856 8 N CB 0.146 38.470 38.487 -0.272 0.000 1.020 8 N HN 0.081 nan 8.380 nan 0.000 0.509 9 F N 1.490 121.456 119.950 0.028 0.000 2.496 9 F HA 0.227 4.755 4.527 0.001 0.000 0.344 9 F C 1.839 177.683 175.800 0.074 0.000 1.155 9 F CA -0.509 57.533 58.000 0.069 0.000 1.302 9 F CB 0.090 39.168 39.000 0.131 0.000 1.159 9 F HN -0.070 nan 8.300 nan 0.000 0.595 10 G N 0.717 109.682 108.800 0.275 0.000 2.583 10 G HA2 0.184 4.145 3.960 0.001 0.000 0.275 10 G HA3 0.184 4.145 3.960 0.001 0.000 0.275 10 G C 0.853 175.869 174.900 0.194 0.000 1.342 10 G CA -0.150 45.056 45.100 0.177 0.000 1.030 10 G HN 0.624 nan 8.290 nan 0.000 0.520 11 T N 0.770 115.419 114.554 0.159 0.000 2.674 11 T HA -0.113 4.238 4.350 0.001 0.000 0.265 11 T C 2.847 177.655 174.700 0.181 0.000 1.039 11 T CA 2.092 64.309 62.100 0.195 0.000 1.150 11 T CB -0.539 68.437 68.868 0.180 0.000 0.864 11 T HN 0.624 nan 8.240 nan 0.000 0.427 12 A N 1.890 124.784 122.820 0.124 0.000 1.883 12 A HA -0.179 4.141 4.320 0.001 0.000 0.217 12 A C 2.123 179.751 177.584 0.073 0.000 1.186 12 A CA 1.974 54.057 52.037 0.077 0.000 0.624 12 A CB -0.698 18.337 19.000 0.058 0.000 0.822 12 A HN 0.373 nan 8.150 nan 0.000 0.444 13 D N -0.434 120.026 120.400 0.101 0.000 2.149 13 D HA -0.031 4.610 4.640 0.001 0.000 0.201 13 D C 2.298 178.624 176.300 0.043 0.000 0.972 13 D CA 1.324 55.361 54.000 0.061 0.000 0.835 13 D CB -0.299 40.563 40.800 0.103 0.000 0.966 13 D HN 0.372 nan 8.370 nan 0.000 0.476 14 S N 0.679 116.477 115.700 0.163 0.000 2.370 14 S HA -0.144 4.327 4.470 0.001 0.000 0.226 14 S C 1.802 176.513 174.600 0.185 0.000 1.033 14 S CA 1.018 59.349 58.200 0.218 0.000 1.011 14 S CB -0.018 63.382 63.200 0.334 0.000 0.852 14 S HN 0.297 nan 8.310 nan 0.000 0.457 15 K N 1.352 121.832 120.400 0.133 0.000 2.097 15 K HA 0.041 4.362 4.320 0.001 0.000 0.205 15 K C 2.397 179.054 176.600 0.095 0.000 1.050 15 K CA 1.131 57.458 56.287 0.066 0.000 0.938 15 K CB -0.292 32.143 32.500 -0.108 0.000 0.718 15 K HN 0.334 nan 8.250 nan 0.000 0.442 16 A N 1.199 124.049 122.820 0.050 0.000 1.930 16 A HA -0.130 4.190 4.320 0.001 0.000 0.217 16 A C 2.034 179.637 177.584 0.033 0.000 1.175 16 A CA 1.008 53.063 52.037 0.030 0.000 0.627 16 A CB -0.389 18.610 19.000 -0.002 0.000 0.815 16 A HN 0.122 nan 8.150 nan 0.000 0.443 17 L N -1.478 119.748 121.223 0.004 0.000 1.994 17 L HA -0.069 4.272 4.340 0.001 0.000 0.208 17 L C 2.228 179.088 176.870 -0.018 0.000 1.071 17 L CA 1.990 56.802 54.840 -0.047 0.000 0.745 17 L CB -1.225 40.756 42.059 -0.130 0.000 0.892 17 L HN 0.496 nan 8.230 nan 0.000 0.431 18 F N -0.231 119.665 119.950 -0.090 0.000 2.091 18 F HA -0.288 4.239 4.527 0.001 0.000 0.299 18 F C 2.565 178.330 175.800 -0.059 0.000 1.103 18 F CA 2.037 59.976 58.000 -0.102 0.000 1.228 18 F CB -0.329 38.595 39.000 -0.126 0.000 0.984 18 F HN 0.065 nan 8.300 nan 0.000 0.477 19 S N 0.005 115.788 115.700 0.138 0.000 2.382 19 S HA -0.201 4.270 4.470 0.001 0.000 0.228 19 S C 1.607 176.181 174.600 -0.042 0.000 1.027 19 S CA 1.380 59.611 58.200 0.051 0.000 0.991 19 S CB -0.441 62.820 63.200 0.101 0.000 0.823 19 S HN 0.464 nan 8.310 nan 0.000 0.469 20 D N 1.548 121.955 120.400 0.012 0.000 2.097 20 D HA 0.036 4.676 4.640 0.001 0.000 0.197 20 D C 2.208 178.419 176.300 -0.149 0.000 0.984 20 D CA 1.169 55.218 54.000 0.081 0.000 0.826 20 D CB -0.460 40.495 40.800 0.258 0.000 0.973 20 D HN 0.352 nan 8.370 nan 0.000 0.460 21 A N 0.780 123.477 122.820 -0.206 0.000 1.908 21 A HA -0.220 4.101 4.320 0.001 0.000 0.218 21 A C 2.166 179.630 177.584 -0.200 0.000 1.181 21 A CA 1.985 53.880 52.037 -0.236 0.000 0.627 21 A CB -0.555 18.293 19.000 -0.253 0.000 0.818 21 A HN 0.187 nan 8.150 nan 0.000 0.445 22 M N 0.057 119.455 119.600 -0.337 0.000 2.086 22 M HA 0.000 4.481 4.480 0.001 0.000 0.261 22 M C 2.191 178.305 176.300 -0.311 0.000 1.067 22 M CA 1.713 56.720 55.300 -0.488 0.000 1.116 22 M CB -0.675 31.562 32.600 -0.603 0.000 1.348 22 M HN 0.384 nan 8.290 nan 0.000 0.407 23 A N 0.621 123.315 122.820 -0.211 0.000 1.883 23 A HA -0.165 4.155 4.320 0.001 0.000 0.217 23 A C 2.184 179.658 177.584 -0.183 0.000 1.186 23 A CA 2.171 54.126 52.037 -0.136 0.000 0.624 23 A CB -1.487 17.499 19.000 -0.024 0.000 0.822 23 A HN 0.789 nan 8.150 nan 0.000 0.444 24 I N -3.192 117.188 120.570 -0.315 0.000 2.394 24 I HA -0.128 4.042 4.170 0.001 0.000 0.251 24 I C 2.088 178.064 176.117 -0.235 0.000 1.136 24 I CA 2.078 63.162 61.300 -0.360 0.000 1.425 24 I CB -1.050 36.544 38.000 -0.677 0.000 1.079 24 I HN 0.133 nan 8.210 nan 0.000 0.425 25 T N 2.396 116.813 114.554 -0.227 0.000 2.708 25 T HA -0.058 4.292 4.350 0.001 0.000 0.266 25 T C 2.002 176.597 174.700 -0.175 0.000 1.037 25 T CA 1.889 63.876 62.100 -0.189 0.000 1.146 25 T CB -0.389 68.382 68.868 -0.162 0.000 0.865 25 T HN 0.337 nan 8.240 nan 0.000 0.435 26 L N -0.283 120.841 121.223 -0.165 0.000 2.046 26 L HA -0.112 4.228 4.340 0.001 0.000 0.208 26 L C 2.390 179.205 176.870 -0.091 0.000 1.077 26 L CA 1.525 56.305 54.840 -0.100 0.000 0.747 26 L CB -0.661 41.334 42.059 -0.106 0.000 0.896 26 L HN 0.265 nan 8.230 nan 0.000 0.432 27 Y N 1.347 121.503 120.300 -0.240 0.000 2.151 27 Y HA -0.346 4.205 4.550 0.001 0.000 0.284 27 Y C 2.929 178.517 175.900 -0.520 0.000 1.166 27 Y CA 1.492 59.391 58.100 -0.336 0.000 1.163 27 Y CB -0.503 37.784 38.460 -0.289 0.000 0.974 27 Y HN 0.303 nan 8.280 nan 0.000 0.511 28 S N -1.398 113.995 115.700 -0.511 0.000 2.442 28 S HA -0.226 4.245 4.470 0.001 0.000 0.236 28 S C 1.573 175.924 174.600 -0.415 0.000 1.007 28 S CA 1.285 59.163 58.200 -0.537 0.000 0.965 28 S CB -1.014 61.945 63.200 -0.401 0.000 0.773 28 S HN 0.519 nan 8.310 nan 0.000 0.504 29 Y N 1.271 121.403 120.300 -0.279 0.000 2.482 29 Y HA 0.261 4.811 4.550 0.000 0.000 0.270 29 Y C 0.796 176.659 175.900 -0.061 0.000 1.152 29 Y CA -0.107 57.920 58.100 -0.122 0.000 1.292 29 Y CB -0.394 37.986 38.460 -0.133 0.000 1.070 29 Y HN 0.384 nan 8.280 nan 0.000 0.528 30 H N 0.089 119.110 119.070 -0.082 0.000 2.741 30 H HA -0.235 4.322 4.556 0.001 0.000 0.305 30 H C 0.156 175.482 175.328 -0.002 0.000 1.169 30 H CA 0.762 56.760 56.048 -0.085 0.000 1.144 30 H CB -1.618 28.072 29.762 -0.120 0.000 1.397 30 H HN 0.430 nan 8.280 nan 0.000 0.409 31 N N -1.006 117.726 118.700 0.053 0.000 2.741 31 N HA -0.201 4.540 4.740 0.001 0.000 0.250 31 N C 1.341 176.880 175.510 0.048 0.000 1.115 31 N CA 0.910 53.984 53.050 0.041 0.000 0.724 31 N CB -1.025 37.492 38.487 0.049 0.000 1.090 31 N HN 0.408 nan 8.380 nan 0.000 0.558 32 L N 1.635 122.895 121.223 0.061 0.000 2.079 32 L HA -0.114 4.226 4.340 0.001 0.000 0.210 32 L C 2.014 178.907 176.870 0.039 0.000 1.081 32 L CA 2.484 57.358 54.840 0.057 0.000 0.752 32 L CB -0.257 41.853 42.059 0.085 0.000 0.896 32 L HN 0.301 nan 8.230 nan 0.000 0.433 33 D N -1.851 118.539 120.400 -0.017 0.000 2.340 33 D HA -0.162 4.479 4.640 0.001 0.000 0.220 33 D C 1.542 177.890 176.300 0.080 0.000 1.039 33 D CA 0.329 54.345 54.000 0.027 0.000 0.866 33 D CB -0.921 39.807 40.800 -0.121 0.000 0.913 33 D HN 0.581 nan 8.370 nan 0.000 0.523 34 N N 0.991 119.726 118.700 0.057 0.000 2.036 34 N HA -0.186 4.554 4.740 0.001 0.000 0.195 34 N C 1.997 177.575 175.510 0.113 0.000 1.037 34 N CA 1.954 55.046 53.050 0.070 0.000 0.855 34 N CB -0.384 38.136 38.487 0.055 0.000 1.033 34 N HN 0.278 nan 8.380 nan 0.000 0.423 35 G N 0.095 108.964 108.800 0.115 0.000 2.440 35 G HA2 -0.252 3.709 3.960 0.001 0.000 0.218 35 G HA3 -0.252 3.709 3.960 0.001 0.000 0.218 35 G C 1.415 176.434 174.900 0.197 0.000 1.154 35 G CA 0.340 45.514 45.100 0.124 0.000 0.767 35 G HN 0.436 nan 8.290 nan 0.000 0.552 36 F N 1.713 121.701 119.950 0.064 0.000 2.102 36 F HA -0.040 4.488 4.527 0.000 0.000 0.298 36 F C 3.002 178.874 175.800 0.120 0.000 1.105 36 F CA 0.989 59.043 58.000 0.089 0.000 1.239 36 F CB 0.136 39.166 39.000 0.049 0.000 0.991 36 F HN 0.267 nan 8.300 nan 0.000 0.474 37 A N 0.030 123.038 122.820 0.313 0.000 1.902 37 A HA -0.146 4.175 4.320 0.001 0.000 0.217 37 A C 2.237 179.983 177.584 0.270 0.000 1.181 37 A CA 1.688 53.842 52.037 0.194 0.000 0.623 37 A CB -1.321 17.725 19.000 0.077 0.000 0.818 37 A HN 0.459 nan 8.150 nan 0.000 0.443 38 A N -0.532 122.421 122.820 0.222 0.000 1.897 38 A HA 0.201 4.521 4.320 0.001 0.000 0.215 38 A C 2.429 180.148 177.584 0.226 0.000 1.181 38 A CA 1.783 53.935 52.037 0.192 0.000 0.620 38 A CB -1.423 17.658 19.000 0.136 0.000 0.821 38 A HN 0.711 nan 8.150 nan 0.000 0.443 39 G N -1.123 107.824 108.800 0.244 0.000 2.491 39 G HA2 -0.343 3.617 3.960 0.001 0.000 0.218 39 G HA3 -0.343 3.617 3.960 0.001 0.000 0.218 39 G C 1.580 176.667 174.900 0.312 0.000 1.180 39 G CA 1.419 46.667 45.100 0.247 0.000 0.774 39 G HN 0.646 nan 8.290 nan 0.000 0.562 40 Y N 1.060 121.528 120.300 0.279 0.000 2.128 40 Y HA -0.211 4.340 4.550 0.001 0.000 0.284 40 Y C 2.983 178.994 175.900 0.184 0.000 1.154 40 Y CA 2.463 60.723 58.100 0.266 0.000 1.149 40 Y CB -0.303 38.301 38.460 0.240 0.000 0.976 40 Y HN 0.279 nan 8.280 nan 0.000 0.505 41 Q N -0.489 119.421 119.800 0.184 0.000 2.124 41 Q HA -0.233 4.108 4.340 0.001 0.000 0.202 41 Q C 2.122 178.123 176.000 0.001 0.000 0.977 41 Q CA 2.319 58.152 55.803 0.050 0.000 0.850 41 Q CB -0.551 28.287 28.738 0.165 0.000 0.901 41 Q HN 0.771 nan 8.270 nan 0.000 0.429 42 H N -1.265 117.809 119.070 0.007 0.000 2.403 42 H HA 0.128 4.684 4.556 0.001 0.000 0.298 42 H C 0.936 176.258 175.328 -0.011 0.000 1.059 42 H CA 1.817 57.868 56.048 0.005 0.000 1.363 42 H CB 0.252 30.035 29.762 0.036 0.000 1.410 42 H HN 0.376 nan 8.280 nan 0.000 0.528 43 N N -0.860 117.862 118.700 0.036 0.000 2.407 43 N HA 0.225 4.966 4.740 0.001 0.000 0.182 43 N C 0.590 176.102 175.510 0.003 0.000 1.079 43 N CA 0.321 53.393 53.050 0.036 0.000 0.882 43 N CB 1.435 40.014 38.487 0.154 0.000 1.106 43 N HN 0.476 nan 8.380 nan 0.000 0.461 44 G N 1.088 109.839 108.800 -0.083 0.000 2.553 44 G HA2 -0.310 3.650 3.960 0.001 0.000 0.242 44 G HA3 -0.310 3.650 3.960 0.001 0.000 0.242 44 G C -0.434 174.659 174.900 0.321 0.000 1.277 44 G CA 0.007 45.060 45.100 -0.078 0.000 0.910 44 G HN 0.235 nan 8.290 nan 0.000 0.576 45 F N 2.119 122.180 119.950 0.185 0.000 2.859 45 F HA 0.529 5.057 4.527 0.000 0.000 0.324 45 F C 1.319 177.422 175.800 0.505 0.000 1.158 45 F CA 0.924 59.134 58.000 0.351 0.000 1.147 45 F CB 0.380 39.598 39.000 0.363 0.000 1.137 45 F HN 0.832 nan 8.300 nan 0.000 0.516 46 G N -0.070 108.961 108.800 0.385 0.000 3.441 46 G HA2 0.167 4.127 3.960 0.001 0.000 0.195 46 G HA3 0.167 4.127 3.960 0.001 0.000 0.195 46 G C 0.920 175.898 174.900 0.130 0.000 1.633 46 G CA 0.089 45.346 45.100 0.263 0.000 0.895 46 G HN 0.038 nan 8.290 nan 0.000 0.654 47 L N 1.317 122.583 121.223 0.072 0.000 1.987 47 L HA -0.112 4.229 4.340 0.001 0.000 0.230 47 L C 2.857 179.765 176.870 0.063 0.000 1.089 47 L CA 2.696 57.563 54.840 0.045 0.000 0.802 47 L CB -0.857 41.222 42.059 0.033 0.000 0.905 47 L HN 0.447 nan 8.230 nan 0.000 0.441 48 G N -1.582 107.267 108.800 0.080 0.000 2.807 48 G HA2 -0.151 3.809 3.960 0.001 0.000 0.207 48 G HA3 -0.151 3.809 3.960 0.001 0.000 0.207 48 G C 1.412 176.383 174.900 0.117 0.000 1.151 48 G CA 0.489 45.643 45.100 0.090 0.000 0.800 48 G HN 0.340 nan 8.290 nan 0.000 0.523 49 L N 1.656 122.948 121.223 0.115 0.000 2.013 49 L HA -0.007 4.334 4.340 0.001 0.000 0.212 49 L C 0.046 176.953 176.870 0.062 0.000 1.073 49 L CA 2.064 56.956 54.840 0.086 0.000 0.753 49 L CB -1.095 40.941 42.059 -0.039 0.000 0.890 49 L HN 0.066 nan 8.230 nan 0.000 0.432 50 P HA -0.156 nan 4.420 nan 0.000 0.216 50 P C 1.555 178.876 177.300 0.034 0.000 1.150 50 P CA 2.108 65.224 63.100 0.026 0.000 0.837 50 P CB -0.258 31.456 31.700 0.022 0.000 0.786 51 A N -1.124 121.732 122.820 0.060 0.000 1.930 51 A HA -0.147 4.174 4.320 0.001 0.000 0.217 51 A C 2.278 179.913 177.584 0.084 0.000 1.175 51 A CA 2.144 54.224 52.037 0.071 0.000 0.627 51 A CB -1.861 17.196 19.000 0.094 0.000 0.815 51 A HN 0.137 nan 8.150 nan 0.000 0.443 52 T N 0.580 115.206 114.554 0.120 0.000 2.720 52 T HA -0.109 4.242 4.350 0.001 0.000 0.268 52 T C 1.765 176.461 174.700 -0.007 0.000 1.037 52 T CA 1.581 63.776 62.100 0.159 0.000 1.144 52 T CB -0.381 68.688 68.868 0.336 0.000 0.864 52 T HN 0.399 nan 8.240 nan 0.000 0.444 53 L N 0.511 121.694 121.223 -0.066 0.000 2.093 53 L HA -0.046 4.295 4.340 0.001 0.000 0.208 53 L C 2.645 179.438 176.870 -0.129 0.000 1.085 53 L CA 0.645 55.368 54.840 -0.195 0.000 0.755 53 L CB -0.748 41.233 42.059 -0.130 0.000 0.904 53 L HN 0.133 nan 8.230 nan 0.000 0.435 54 V N 0.118 120.005 119.914 -0.044 0.000 2.252 54 V HA -0.333 3.788 4.120 0.001 0.000 0.249 54 V C 2.585 178.677 176.094 -0.004 0.000 1.056 54 V CA 2.614 64.908 62.300 -0.011 0.000 1.022 54 V CB -0.866 30.971 31.823 0.023 0.000 0.641 54 V HN 0.526 nan 8.190 nan 0.000 0.445 55 T N 0.118 114.677 114.554 0.009 0.000 2.867 55 T HA -0.078 4.272 4.350 0.001 0.000 0.268 55 T C 2.026 176.726 174.700 -0.000 0.000 1.057 55 T CA 1.239 63.361 62.100 0.036 0.000 1.136 55 T CB -0.439 68.476 68.868 0.079 0.000 0.874 55 T HN 0.566 nan 8.240 nan 0.000 0.466 56 A N 1.194 123.949 122.820 -0.109 0.000 1.978 56 A HA -0.004 4.317 4.320 0.001 0.000 0.220 56 A C 2.235 179.767 177.584 -0.086 0.000 1.170 56 A CA 1.245 53.170 52.037 -0.186 0.000 0.636 56 A CB -0.713 17.887 19.000 -0.666 0.000 0.810 56 A HN 0.490 nan 8.150 nan 0.000 0.448 57 L N -1.869 119.310 121.223 -0.074 0.000 2.145 57 L HA 0.107 4.448 4.340 0.001 0.000 0.201 57 L C 2.063 178.925 176.870 -0.012 0.000 1.075 57 L CA 0.756 55.574 54.840 -0.037 0.000 0.773 57 L CB -0.141 41.896 42.059 -0.037 0.000 0.936 57 L HN 0.285 nan 8.230 nan 0.000 0.451 58 L N -1.492 119.737 121.223 0.010 0.000 2.731 58 L HA 0.347 4.688 4.340 0.001 0.000 0.240 58 L C 1.215 178.116 176.870 0.051 0.000 1.120 58 L CA 0.207 55.064 54.840 0.028 0.000 0.913 58 L CB 0.277 42.390 42.059 0.091 0.000 1.213 58 L HN 0.387 nan 8.230 nan 0.000 0.515 59 G N 0.455 109.291 108.800 0.059 0.000 2.564 59 G HA2 -0.106 3.855 3.960 0.001 0.000 0.273 59 G HA3 -0.106 3.855 3.960 0.001 0.000 0.273 59 G C 0.163 175.150 174.900 0.145 0.000 1.242 59 G CA -0.175 44.976 45.100 0.084 0.000 0.951 59 G HN 0.567 nan 8.290 nan 0.000 0.564 60 G N -3.731 105.175 108.800 0.177 0.000 2.677 60 G HA2 0.694 4.654 3.960 0.001 0.000 0.283 60 G HA3 0.694 4.654 3.960 0.001 0.000 0.283 60 G C 1.011 176.092 174.900 0.301 0.000 1.221 60 G CA 1.143 46.388 45.100 0.242 0.000 0.851 60 G HN 1.912 nan 8.290 nan 0.000 0.504 61 T N -1.550 113.123 114.554 0.198 0.000 3.035 61 T HA 0.046 4.397 4.350 0.001 0.000 0.268 61 T C 0.991 175.765 174.700 0.123 0.000 1.109 61 T CA 1.986 64.195 62.100 0.182 0.000 1.119 61 T CB -0.050 68.862 68.868 0.073 0.000 0.900 61 T HN 0.545 nan 8.240 nan 0.000 0.503 62 D N 0.690 121.147 120.400 0.094 0.000 2.540 62 D HA 0.177 4.818 4.640 0.001 0.000 0.229 62 D C 0.164 176.507 176.300 0.071 0.000 1.250 62 D CA -0.346 53.697 54.000 0.072 0.000 0.817 62 D CB 0.064 40.896 40.800 0.053 0.000 1.060 62 D HN 0.502 nan 8.370 nan 0.000 0.508 63 S N -1.239 114.510 115.700 0.081 0.000 2.570 63 S HA 0.523 4.994 4.470 0.001 0.000 0.270 63 S C -1.170 173.467 174.600 0.062 0.000 1.149 63 S CA -0.959 57.285 58.200 0.073 0.000 0.837 63 S CB 2.529 65.780 63.200 0.084 0.000 1.124 63 S HN 0.065 nan 8.310 nan 0.000 0.465 64 Q N 0.727 120.555 119.800 0.047 0.000 2.333 64 Q HA 0.607 4.947 4.340 0.001 0.000 0.268 64 Q C 0.393 176.413 176.000 0.034 0.000 1.007 64 Q CA -0.601 55.216 55.803 0.023 0.000 0.810 64 Q CB 1.351 30.095 28.738 0.010 0.000 1.264 64 Q HN 0.998 nan 8.270 nan 0.000 0.452 65 G N 1.240 110.053 108.800 0.023 0.000 2.546 65 G HA2 0.101 4.062 3.960 0.001 0.000 0.239 65 G HA3 0.101 4.062 3.960 0.001 0.000 0.239 65 G C 0.599 175.508 174.900 0.016 0.000 1.476 65 G CA -0.279 44.836 45.100 0.026 0.000 1.064 65 G HN 0.520 nan 8.290 nan 0.000 0.561 66 V N 0.166 120.087 119.914 0.011 0.000 2.427 66 V HA 0.020 4.140 4.120 0.001 0.000 0.248 66 V C 1.339 177.432 176.094 -0.002 0.000 1.051 66 V CA 0.936 63.244 62.300 0.014 0.000 1.048 66 V CB -0.466 31.364 31.823 0.011 0.000 0.666 66 V HN 0.294 nan 8.190 nan 0.000 0.456 67 I N 3.124 123.683 120.570 -0.019 0.000 2.396 67 I HA 0.189 4.360 4.170 0.001 0.000 0.289 67 I C -1.905 174.178 176.117 -0.058 0.000 1.056 67 I CA -1.508 59.770 61.300 -0.037 0.000 1.365 67 I CB 0.786 38.759 38.000 -0.045 0.000 1.407 67 I HN 0.175 nan 8.210 nan 0.000 0.509 68 P HA 0.202 nan 4.420 nan 0.000 0.278 68 P C 0.597 177.840 177.300 -0.095 0.000 1.266 68 P CA -0.101 62.962 63.100 -0.063 0.000 0.807 68 P CB 0.976 32.651 31.700 -0.042 0.000 1.094 69 G N -0.112 108.626 108.800 -0.102 0.000 2.155 69 G HA2 -0.235 3.726 3.960 0.001 0.000 0.257 69 G HA3 -0.235 3.726 3.960 0.001 0.000 0.257 69 G C 0.077 174.859 174.900 -0.196 0.000 0.983 69 G CA -0.065 44.964 45.100 -0.119 0.000 0.676 69 G HN 0.494 nan 8.290 nan 0.000 0.528 70 I N 0.911 121.311 120.570 -0.283 0.000 2.379 70 I HA 0.180 4.351 4.170 0.001 0.000 0.290 70 I C -0.584 175.219 176.117 -0.524 0.000 1.063 70 I CA -2.214 58.765 61.300 -0.534 0.000 1.351 70 I CB 1.390 38.969 38.000 -0.701 0.000 1.410 70 I HN -0.117 nan 8.210 nan 0.000 0.505 71 P HA -0.158 nan 4.420 nan 0.000 0.216 71 P C 1.199 178.465 177.300 -0.056 0.000 1.153 71 P CA 1.355 64.351 63.100 -0.172 0.000 0.848 71 P CB -0.021 31.659 31.700 -0.034 0.000 0.787 72 W N -0.441 120.861 121.300 0.004 0.000 2.937 72 W HA 0.123 4.784 4.660 0.002 0.000 0.245 72 W C 0.100 176.622 176.519 0.005 0.000 1.306 72 W CA -0.381 56.966 57.345 0.003 0.000 1.470 72 W CB -1.985 27.475 29.460 -0.000 0.000 1.132 72 W HN -0.194 nan 8.180 nan 0.000 0.675 73 N N 3.538 122.167 118.700 -0.120 0.000 2.525 73 N HA 0.118 4.858 4.740 0.001 0.000 0.271 73 N C -2.051 173.463 175.510 0.006 0.000 1.194 73 N CA -1.486 51.540 53.050 -0.039 0.000 0.964 73 N CB 0.578 38.988 38.487 -0.128 0.000 1.126 73 N HN -0.203 nan 8.380 nan 0.000 0.452 74 P HA -0.025 nan 4.420 nan 0.000 0.272 74 P C -0.823 176.486 177.300 0.016 0.000 1.230 74 P CA -0.083 63.036 63.100 0.031 0.000 0.788 74 P CB 0.630 32.356 31.700 0.043 0.000 0.949 75 D N 1.097 121.509 120.400 0.019 0.000 2.545 75 D HA -0.007 4.633 4.640 0.001 0.000 0.227 75 D C 1.388 177.710 176.300 0.037 0.000 1.150 75 D CA 0.173 54.186 54.000 0.020 0.000 1.046 75 D CB -0.321 40.492 40.800 0.022 0.000 1.098 75 D HN 0.227 nan 8.370 nan 0.000 0.502 76 S N 1.847 117.570 115.700 0.038 0.000 2.419 76 S HA -0.173 4.297 4.470 0.001 0.000 0.233 76 S C 1.513 176.157 174.600 0.072 0.000 1.016 76 S CA 0.741 58.972 58.200 0.051 0.000 0.974 76 S CB -0.081 63.148 63.200 0.048 0.000 0.786 76 S HN 0.493 nan 8.310 nan 0.000 0.492 77 E N 1.074 121.323 120.200 0.081 0.000 2.107 77 E HA -0.034 4.316 4.350 0.001 0.000 0.191 77 E C 2.181 178.868 176.600 0.145 0.000 0.982 77 E CA 0.691 57.169 56.400 0.129 0.000 0.809 77 E CB -0.117 29.646 29.700 0.105 0.000 0.756 77 E HN 0.491 nan 8.360 nan 0.000 0.459 78 K N 1.068 121.526 120.400 0.098 0.000 2.097 78 K HA -0.110 4.211 4.320 0.001 0.000 0.205 78 K C 2.177 178.827 176.600 0.082 0.000 1.050 78 K CA 0.680 57.021 56.287 0.089 0.000 0.938 78 K CB -0.052 32.484 32.500 0.059 0.000 0.718 78 K HN 0.115 nan 8.250 nan 0.000 0.442 79 L N 0.440 121.705 121.223 0.070 0.000 2.079 79 L HA -0.201 4.140 4.340 0.001 0.000 0.210 79 L C 2.619 179.534 176.870 0.074 0.000 1.081 79 L CA 1.334 56.210 54.840 0.060 0.000 0.752 79 L CB -0.615 41.474 42.059 0.050 0.000 0.896 79 L HN 0.193 nan 8.230 nan 0.000 0.433 80 A N 0.012 122.894 122.820 0.103 0.000 1.902 80 A HA -0.217 4.103 4.320 0.001 0.000 0.217 80 A C 2.221 179.928 177.584 0.204 0.000 1.181 80 A CA 1.690 53.809 52.037 0.138 0.000 0.623 80 A CB -0.647 18.420 19.000 0.111 0.000 0.818 80 A HN 0.311 nan 8.150 nan 0.000 0.443 81 L N 0.238 121.595 121.223 0.222 0.000 1.994 81 L HA -0.165 4.175 4.340 0.001 0.000 0.208 81 L C 1.733 178.603 176.870 -0.000 0.000 1.071 81 L CA 2.553 57.463 54.840 0.117 0.000 0.745 81 L CB -0.799 41.362 42.059 0.170 0.000 0.892 81 L HN 0.350 nan 8.230 nan 0.000 0.431 82 D N -0.039 120.381 120.400 0.032 0.000 2.133 82 D HA -0.230 4.410 4.640 0.001 0.000 0.195 82 D C 2.171 178.473 176.300 0.005 0.000 0.997 82 D CA 1.697 55.706 54.000 0.014 0.000 0.840 82 D CB -0.300 40.514 40.800 0.024 0.000 0.947 82 D HN 0.518 nan 8.370 nan 0.000 0.452 83 A N 0.508 123.338 122.820 0.017 0.000 1.902 83 A HA -0.138 4.182 4.320 0.001 0.000 0.217 83 A C 2.468 180.054 177.584 0.003 0.000 1.181 83 A CA 1.351 53.397 52.037 0.014 0.000 0.623 83 A CB -0.848 18.166 19.000 0.024 0.000 0.818 83 A HN 0.196 nan 8.150 nan 0.000 0.443 84 V N -0.247 119.645 119.914 -0.038 0.000 2.515 84 V HA -0.198 3.922 4.120 0.001 0.000 0.250 84 V C 2.370 178.476 176.094 0.020 0.000 1.058 84 V CA 2.384 64.648 62.300 -0.060 0.000 1.064 84 V CB -0.487 31.120 31.823 -0.360 0.000 0.675 84 V HN 0.592 nan 8.190 nan 0.000 0.461 85 K N -0.133 120.247 120.400 -0.034 0.000 2.025 85 K HA -0.208 4.113 4.320 0.001 0.000 0.207 85 K C 2.219 178.811 176.600 -0.014 0.000 1.049 85 K CA 1.693 57.970 56.287 -0.016 0.000 0.933 85 K CB -0.249 32.234 32.500 -0.028 0.000 0.714 85 K HN 0.348 nan 8.250 nan 0.000 0.438 86 K N 0.902 121.298 120.400 -0.008 0.000 2.160 86 K HA -0.157 4.163 4.320 0.001 0.000 0.206 86 K C 1.684 178.278 176.600 -0.010 0.000 1.047 86 K CA 1.447 57.729 56.287 -0.009 0.000 0.930 86 K CB -0.064 32.436 32.500 -0.000 0.000 0.720 86 K HN 0.144 nan 8.250 nan 0.000 0.450 87 A N -0.366 122.469 122.820 0.024 0.000 2.238 87 A HA 0.208 4.529 4.320 0.001 0.000 0.208 87 A C 1.326 178.863 177.584 -0.077 0.000 1.177 87 A CA 0.816 52.885 52.037 0.053 0.000 0.804 87 A CB -0.235 18.874 19.000 0.182 0.000 0.823 87 A HN 0.580 nan 8.150 nan 0.000 0.482 88 G N -3.185 105.525 108.800 -0.150 0.000 2.168 88 G HA2 -0.214 3.747 3.960 0.001 0.000 0.197 88 G HA3 -0.214 3.747 3.960 0.001 0.000 0.197 88 G C -0.314 174.294 174.900 -0.486 0.000 0.997 88 G CA -0.182 44.705 45.100 -0.355 0.000 0.658 88 G HN 0.393 nan 8.290 nan 0.000 0.513 89 W N 0.679 121.935 121.300 -0.074 0.000 2.573 89 W HA 0.681 5.342 4.660 0.001 0.000 0.326 89 W C 0.087 176.553 176.519 -0.087 0.000 1.049 89 W CA -0.524 56.765 57.345 -0.092 0.000 1.220 89 W CB 2.011 31.376 29.460 -0.158 0.000 1.373 89 W HN 0.090 nan 8.180 nan 0.000 0.507 90 T N 3.521 118.219 114.554 0.241 0.000 2.841 90 T HA 0.329 4.679 4.350 0.001 0.000 0.285 90 T C -2.703 172.095 174.700 0.164 0.000 0.991 90 T CA -1.820 60.373 62.100 0.155 0.000 0.966 90 T CB 1.610 70.592 68.868 0.190 0.000 0.962 90 T HN -0.096 nan 8.240 nan 0.000 0.438 91 P HA 0.136 nan 4.420 nan 0.000 0.261 91 P C -0.411 176.967 177.300 0.130 0.000 1.183 91 P CA -0.041 63.124 63.100 0.108 0.000 0.761 91 P CB 0.159 31.929 31.700 0.117 0.000 0.785 92 I N 2.828 123.472 120.570 0.123 0.000 2.416 92 I HA 0.117 4.288 4.170 0.001 0.000 0.288 92 I C 1.302 177.487 176.117 0.113 0.000 1.051 92 I CA -0.303 61.028 61.300 0.052 0.000 1.375 92 I CB 0.722 38.637 38.000 -0.141 0.000 1.407 92 I HN 0.332 nan 8.210 nan 0.000 0.516 93 T N 2.466 117.061 114.554 0.070 0.000 2.882 93 T HA 0.349 4.700 4.350 0.001 0.000 0.287 93 T C 1.252 176.056 174.700 0.175 0.000 1.014 93 T CA -0.287 61.868 62.100 0.091 0.000 1.049 93 T CB 1.735 70.632 68.868 0.048 0.000 1.001 93 T HN 0.669 nan 8.240 nan 0.000 0.525 94 A N 1.471 124.416 122.820 0.208 0.000 1.948 94 A HA -0.111 4.210 4.320 0.001 0.000 0.220 94 A C 2.661 180.373 177.584 0.215 0.000 1.177 94 A CA 2.408 54.654 52.037 0.349 0.000 0.636 94 A CB -1.450 17.717 19.000 0.277 0.000 0.815 94 A HN 1.014 nan 8.150 nan 0.000 0.449 95 S N -1.024 114.749 115.700 0.122 0.000 2.387 95 S HA -0.195 4.275 4.470 0.001 0.000 0.226 95 S C 2.071 176.726 174.600 0.091 0.000 1.026 95 S CA 1.427 59.684 58.200 0.094 0.000 0.972 95 S CB -0.409 62.830 63.200 0.065 0.000 0.814 95 S HN 0.672 nan 8.310 nan 0.000 0.477 96 Q N 0.101 119.940 119.800 0.065 0.000 2.124 96 Q HA 0.009 4.350 4.340 0.001 0.000 0.202 96 Q C 1.894 177.915 176.000 0.035 0.000 0.977 96 Q CA 1.524 57.364 55.803 0.063 0.000 0.850 96 Q CB -0.240 28.484 28.738 -0.023 0.000 0.901 96 Q HN 0.556 nan 8.270 nan 0.000 0.429 97 L N -1.176 120.019 121.223 -0.048 0.000 2.558 97 L HA 0.186 4.526 4.340 0.001 0.000 0.225 97 L C 1.055 177.999 176.870 0.123 0.000 1.128 97 L CA 0.206 55.029 54.840 -0.029 0.000 0.868 97 L CB 0.026 42.002 42.059 -0.138 0.000 1.006 97 L HN 0.293 nan 8.230 nan 0.000 0.454 98 G N 0.146 109.030 108.800 0.141 0.000 2.295 98 G HA2 -0.356 3.605 3.960 0.001 0.000 0.287 98 G HA3 -0.356 3.605 3.960 0.001 0.000 0.287 98 G C -0.184 174.827 174.900 0.185 0.000 1.055 98 G CA -0.014 45.170 45.100 0.140 0.000 0.922 98 G HN 0.326 nan 8.290 nan 0.000 0.503 99 Y N 1.235 121.585 120.300 0.083 0.000 2.326 99 Y HA 0.476 5.027 4.550 0.001 0.000 0.337 99 Y C 0.923 176.891 175.900 0.112 0.000 1.023 99 Y CA -1.006 57.159 58.100 0.110 0.000 1.143 99 Y CB 1.356 39.918 38.460 0.170 0.000 1.183 99 Y HN 0.215 nan 8.280 nan 0.000 0.485 100 D N 2.038 122.189 120.400 -0.416 0.000 2.402 100 D HA 0.206 4.846 4.640 0.001 0.000 0.216 100 D C 0.826 176.833 176.300 -0.488 0.000 1.128 100 D CA 0.038 53.838 54.000 -0.334 0.000 0.833 100 D CB -0.107 40.595 40.800 -0.164 0.000 0.971 100 D HN 0.631 nan 8.370 nan 0.000 0.503 101 G N -0.086 108.059 108.800 -1.092 0.000 2.510 101 G HA2 0.219 4.179 3.960 0.001 0.000 0.280 101 G HA3 0.219 4.179 3.960 0.001 0.000 0.280 101 G C -0.443 174.383 174.900 -0.122 0.000 1.386 101 G CA -0.827 43.931 45.100 -0.570 0.000 1.047 101 G HN 0.121 nan 8.290 nan 0.000 0.527 102 K N 0.146 120.622 120.400 0.127 0.000 2.276 102 K HA 0.376 4.696 4.320 0.001 0.000 0.283 102 K C -0.017 176.718 176.600 0.225 0.000 1.044 102 K CA -0.087 56.257 56.287 0.096 0.000 0.944 102 K CB 0.553 33.041 32.500 -0.021 0.000 1.012 102 K HN 0.636 nan 8.250 nan 0.000 0.472 103 T N -0.142 114.428 114.554 0.028 0.000 2.926 103 T HA 0.363 4.714 4.350 0.001 0.000 0.289 103 T C -0.350 174.269 174.700 -0.136 0.000 1.054 103 T CA -0.960 61.115 62.100 -0.041 0.000 1.015 103 T CB 1.583 70.302 68.868 -0.248 0.000 1.167 103 T HN 0.622 nan 8.240 nan 0.000 0.526 104 D N -0.231 120.148 120.400 -0.035 0.000 2.569 104 D HA 0.511 5.151 4.640 0.001 0.000 0.266 104 D C 1.549 177.815 176.300 -0.057 0.000 1.164 104 D CA -0.547 53.411 54.000 -0.070 0.000 1.071 104 D CB 0.645 41.461 40.800 0.027 0.000 1.183 104 D HN 0.678 nan 8.370 nan 0.000 0.613 105 A N -0.439 122.350 122.820 -0.051 0.000 2.139 105 A HA -0.185 4.136 4.320 0.001 0.000 0.221 105 A C 1.917 179.484 177.584 -0.028 0.000 1.159 105 A CA 1.200 53.213 52.037 -0.041 0.000 0.662 105 A CB -0.651 18.327 19.000 -0.036 0.000 0.796 105 A HN 0.548 nan 8.150 nan 0.000 0.463 106 R N -1.863 118.619 120.500 -0.031 0.000 2.300 106 R HA 0.267 4.608 4.340 0.001 0.000 0.199 106 R C 1.305 177.615 176.300 0.016 0.000 0.920 106 R CA 0.521 56.620 56.100 -0.002 0.000 1.046 106 R CB 0.066 30.328 30.300 -0.063 0.000 0.984 106 R HN 0.637 nan 8.270 nan 0.000 0.493 107 G N 0.856 109.621 108.800 -0.060 0.000 2.157 107 G HA2 -0.269 3.692 3.960 0.001 0.000 0.248 107 G HA3 -0.269 3.692 3.960 0.001 0.000 0.248 107 G C 0.230 174.948 174.900 -0.303 0.000 0.979 107 G CA 0.203 45.203 45.100 -0.165 0.000 0.650 107 G HN 0.293 nan 8.290 nan 0.000 0.529 108 T N 1.227 115.702 114.554 -0.132 0.000 2.916 108 T HA 0.458 4.808 4.350 0.001 0.000 0.303 108 T C 0.239 174.877 174.700 -0.103 0.000 1.025 108 T CA 0.405 62.461 62.100 -0.073 0.000 1.142 108 T CB 0.480 69.335 68.868 -0.021 0.000 0.947 108 T HN 0.213 nan 8.240 nan 0.000 0.544 109 F N 2.192 122.195 119.950 0.088 0.000 2.385 109 F HA 0.552 5.079 4.527 0.000 0.000 0.336 109 F C 0.156 176.178 175.800 0.370 0.000 1.100 109 F CA -0.940 57.200 58.000 0.232 0.000 1.116 109 F CB 0.747 39.719 39.000 -0.047 0.000 1.166 109 F HN 0.459 nan 8.300 nan 0.000 0.511 110 F N 0.449 120.707 119.950 0.515 0.000 2.492 110 F HA 0.588 5.116 4.527 0.000 0.000 0.327 110 F C 0.857 176.882 175.800 0.374 0.000 1.079 110 F CA -1.059 57.189 58.000 0.413 0.000 0.967 110 F CB 1.520 40.651 39.000 0.217 0.000 1.169 110 F HN 0.563 nan 8.300 nan 0.000 0.472 111 G N 1.277 110.186 108.800 0.182 0.000 2.491 111 G HA2 0.109 4.070 3.960 0.001 0.000 0.238 111 G HA3 0.109 4.070 3.960 0.001 0.000 0.238 111 G C 0.235 175.092 174.900 -0.072 0.000 1.277 111 G CA -0.222 44.653 45.100 -0.374 0.000 0.851 111 G HN 0.882 nan 8.290 nan 0.000 0.573 112 E N 0.182 120.286 120.200 -0.159 0.000 2.340 112 E HA 0.053 4.404 4.350 0.001 0.000 0.194 112 E C 0.717 177.323 176.600 0.011 0.000 0.996 112 E CA 0.596 56.999 56.400 0.005 0.000 0.869 112 E CB 0.337 30.059 29.700 0.035 0.000 0.835 112 E HN 0.392 nan 8.360 nan 0.000 0.493 113 K N 0.330 120.732 120.400 0.004 0.000 2.340 113 K HA 0.569 4.889 4.320 0.001 0.000 0.244 113 K C -0.728 175.969 176.600 0.163 0.000 0.973 113 K CA -0.870 55.457 56.287 0.067 0.000 0.828 113 K CB 1.923 34.439 32.500 0.026 0.000 1.226 113 K HN -0.059 nan 8.250 nan 0.000 0.437 114 A N 0.422 123.320 122.820 0.131 0.000 2.587 114 A HA 0.318 4.639 4.320 0.001 0.000 0.235 114 A C 1.192 178.860 177.584 0.141 0.000 1.044 114 A CA 1.377 53.481 52.037 0.112 0.000 0.754 114 A CB -0.934 18.113 19.000 0.079 0.000 0.968 114 A HN 0.966 nan 8.150 nan 0.000 0.509 115 G N 0.661 109.476 108.800 0.026 0.000 2.205 115 G HA2 -0.309 3.651 3.960 0.001 0.000 0.261 115 G HA3 -0.309 3.651 3.960 0.001 0.000 0.261 115 G C 0.288 174.926 174.900 -0.436 0.000 0.980 115 G CA 1.163 46.161 45.100 -0.169 0.000 0.632 115 G HN 1.076 nan 8.290 nan 0.000 0.533 116 Y N 0.176 120.479 120.300 0.004 0.000 2.626 116 Y HA 0.254 4.804 4.550 0.000 0.000 0.248 116 Y C 2.391 178.251 175.900 -0.066 0.000 1.147 116 Y CA 0.692 58.743 58.100 -0.081 0.000 1.219 116 Y CB 0.289 38.589 38.460 -0.267 0.000 1.279 116 Y HN 0.335 nan 8.280 nan 0.000 0.541 117 T N -3.369 111.252 114.554 0.112 0.000 3.098 117 T HA -0.124 4.226 4.350 0.001 0.000 0.266 117 T C 1.551 176.382 174.700 0.218 0.000 1.145 117 T CA 1.487 63.678 62.100 0.153 0.000 1.092 117 T CB -0.467 68.480 68.868 0.132 0.000 0.908 117 T HN 0.376 nan 8.240 nan 0.000 0.526 118 T N -1.290 113.360 114.554 0.159 0.000 3.105 118 T HA 0.635 4.986 4.350 0.001 0.000 0.253 118 T C 0.723 175.500 174.700 0.128 0.000 1.047 118 T CA -0.134 62.058 62.100 0.154 0.000 0.944 118 T CB -0.132 68.813 68.868 0.129 0.000 1.016 118 T HN 0.517 nan 8.240 nan 0.000 0.544 119 A N 1.280 124.189 122.820 0.147 0.000 2.440 119 A HA 0.646 4.967 4.320 0.001 0.000 0.251 119 A C -0.135 177.602 177.584 0.255 0.000 1.089 119 A CA -0.387 51.792 52.037 0.237 0.000 0.779 119 A CB 0.311 19.365 19.000 0.090 0.000 1.022 119 A HN 0.519 nan 8.150 nan 0.000 0.492 120 Q N -0.022 119.935 119.800 0.262 0.000 2.375 120 Q HA 0.665 5.006 4.340 0.001 0.000 0.271 120 Q C -1.049 174.985 176.000 0.056 0.000 1.074 120 Q CA -0.411 55.417 55.803 0.042 0.000 0.808 120 Q CB 2.602 31.192 28.738 -0.247 0.000 1.327 120 Q HN 0.688 nan 8.270 nan 0.000 0.441 121 V N 1.358 121.159 119.914 -0.187 0.000 2.971 121 V HA 0.528 4.649 4.120 0.001 0.000 0.309 121 V C -1.563 174.387 176.094 -0.241 0.000 1.130 121 V CA -0.595 61.432 62.300 -0.455 0.000 0.964 121 V CB 2.317 33.469 31.823 -1.119 0.000 1.029 121 V HN 0.728 nan 8.190 nan 0.000 0.427 122 E N 5.659 125.696 120.200 -0.272 0.000 2.166 122 E HA 0.482 4.833 4.350 0.001 0.000 0.275 122 E C -1.109 175.364 176.600 -0.212 0.000 0.941 122 E CA -0.578 55.778 56.400 -0.074 0.000 0.784 122 E CB 2.164 31.872 29.700 0.014 0.000 1.115 122 E HN 0.451 nan 8.360 nan 0.000 0.399 123 I N 4.086 124.618 120.570 -0.062 0.000 2.355 123 I HA 0.358 4.529 4.170 0.001 0.000 0.288 123 I C -0.257 175.825 176.117 -0.058 0.000 0.999 123 I CA -0.686 60.480 61.300 -0.225 0.000 1.163 123 I CB 0.434 38.162 38.000 -0.454 0.000 1.316 123 I HN 0.312 nan 8.210 nan 0.000 0.454 124 L N 5.131 126.306 121.223 -0.080 0.000 2.354 124 L HA 0.872 5.212 4.340 0.001 0.000 0.264 124 L C 0.467 177.496 176.870 0.266 0.000 1.008 124 L CA -0.385 54.507 54.840 0.086 0.000 0.819 124 L CB 2.130 44.203 42.059 0.023 0.000 1.339 124 L HN 0.646 nan 8.230 nan 0.000 0.420 125 G N 0.387 109.374 108.800 0.312 0.000 2.452 125 G HA2 0.639 4.599 3.960 0.001 0.000 0.324 125 G HA3 0.639 4.599 3.960 0.001 0.000 0.324 125 G C -1.425 173.387 174.900 -0.147 0.000 1.214 125 G CA -0.532 44.612 45.100 0.072 0.000 0.947 125 G HN 0.472 nan 8.290 nan 0.000 0.478 126 K N 0.928 121.012 120.400 -0.528 0.000 2.235 126 K HA 0.567 4.888 4.320 0.001 0.000 0.266 126 K C -1.487 174.751 176.600 -0.603 0.000 0.980 126 K CA -0.571 55.289 56.287 -0.712 0.000 0.849 126 K CB 0.875 32.733 32.500 -1.070 0.000 1.098 126 K HN 0.486 nan 8.250 nan 0.000 0.445 127 Y N 2.322 122.512 120.300 -0.184 0.000 2.425 127 Y HA 0.163 4.713 4.550 0.001 0.000 0.344 127 Y C 0.124 175.957 175.900 -0.111 0.000 0.969 127 Y CA -1.075 56.967 58.100 -0.096 0.000 1.052 127 Y CB 1.328 39.752 38.460 -0.060 0.000 1.215 127 Y HN 0.747 nan 8.280 nan 0.000 0.451 128 D N 1.012 121.446 120.400 0.057 0.000 2.414 128 D HA 0.233 4.873 4.640 0.001 0.000 0.259 128 D C 1.239 177.526 176.300 -0.022 0.000 1.269 128 D CA -0.007 53.991 54.000 -0.003 0.000 1.028 128 D CB 0.479 41.278 40.800 -0.001 0.000 1.093 128 D HN 0.560 nan 8.370 nan 0.000 0.545 129 A N -0.367 122.426 122.820 -0.045 0.000 1.917 129 A HA -0.279 4.041 4.320 0.001 0.000 0.219 129 A C 2.016 179.542 177.584 -0.096 0.000 1.182 129 A CA 2.063 54.065 52.037 -0.060 0.000 0.633 129 A CB -0.984 17.987 19.000 -0.049 0.000 0.819 129 A HN 0.587 nan 8.150 nan 0.000 0.448 130 Q N -1.366 118.345 119.800 -0.148 0.000 2.488 130 Q HA 0.302 4.642 4.340 0.001 0.000 0.211 130 Q C 1.203 176.985 176.000 -0.364 0.000 0.967 130 Q CA 0.831 56.467 55.803 -0.279 0.000 0.926 130 Q CB -0.238 28.242 28.738 -0.430 0.000 0.992 130 Q HN 1.030 nan 8.270 nan 0.000 0.506 131 G N -0.020 108.655 108.800 -0.208 0.000 2.137 131 G HA2 -0.288 3.673 3.960 0.001 0.000 0.237 131 G HA3 -0.288 3.673 3.960 0.001 0.000 0.237 131 G C -0.576 174.357 174.900 0.055 0.000 1.002 131 G CA -0.156 44.883 45.100 -0.101 0.000 0.702 131 G HN 0.545 nan 8.290 nan 0.000 0.515 132 H N -1.143 118.012 119.070 0.142 0.000 2.525 132 H HA 0.493 5.050 4.556 0.001 0.000 0.339 132 H C 0.487 175.902 175.328 0.145 0.000 1.109 132 H CA -1.059 55.071 56.048 0.136 0.000 1.352 132 H CB 1.598 31.383 29.762 0.039 0.000 1.461 132 H HN 0.188 nan 8.280 nan 0.000 0.533 133 L N 2.911 124.253 121.223 0.199 0.000 2.534 133 L HA -0.029 4.312 4.340 0.001 0.000 0.271 133 L C 1.239 178.032 176.870 -0.129 0.000 1.178 133 L CA 0.668 55.407 54.840 -0.168 0.000 0.907 133 L CB 0.413 42.368 42.059 -0.172 0.000 1.164 133 L HN 0.898 nan 8.230 nan 0.000 0.482 134 T N 0.442 114.878 114.554 -0.197 0.000 2.990 134 T HA 0.309 4.659 4.350 0.001 0.000 0.249 134 T C 0.519 175.146 174.700 -0.122 0.000 1.039 134 T CA -0.082 61.940 62.100 -0.129 0.000 1.036 134 T CB 0.118 68.916 68.868 -0.118 0.000 0.994 134 T HN 0.581 nan 8.240 nan 0.000 0.489 135 E N -0.234 119.872 120.200 -0.157 0.000 2.375 135 E HA 0.573 4.923 4.350 0.001 0.000 0.280 135 E C -1.843 174.815 176.600 0.097 0.000 0.972 135 E CA -0.795 55.583 56.400 -0.036 0.000 0.782 135 E CB 2.402 32.055 29.700 -0.079 0.000 1.229 135 E HN 0.292 nan 8.360 nan 0.000 0.439 136 I N 1.611 122.304 120.570 0.204 0.000 2.474 136 I HA 0.516 4.686 4.170 0.001 0.000 0.294 136 I C 0.263 176.457 176.117 0.128 0.000 1.005 136 I CA -0.709 60.727 61.300 0.225 0.000 1.113 136 I CB 2.037 40.132 38.000 0.159 0.000 1.289 136 I HN 0.498 nan 8.210 nan 0.000 0.436 137 G N 6.649 115.389 108.800 -0.101 0.000 2.417 137 G HA2 0.738 4.698 3.960 0.001 0.000 0.320 137 G HA3 0.738 4.698 3.960 0.001 0.000 0.320 137 G C -0.845 173.765 174.900 -0.483 0.000 1.204 137 G CA -0.386 44.354 45.100 -0.600 0.000 0.923 137 G HN 0.486 nan 8.290 nan 0.000 0.466 138 I N 2.111 122.371 120.570 -0.516 0.000 2.382 138 I HA 0.461 4.631 4.170 0.001 0.000 0.285 138 I C 0.248 175.931 176.117 -0.723 0.000 1.007 138 I CA -0.720 60.184 61.300 -0.660 0.000 1.142 138 I CB 2.017 39.581 38.000 -0.727 0.000 1.289 138 I HN 0.522 nan 8.210 nan 0.000 0.453 139 A N 7.311 129.716 122.820 -0.692 0.000 2.328 139 A HA 0.684 5.004 4.320 0.001 0.000 0.318 139 A C -0.774 176.500 177.584 -0.516 0.000 1.347 139 A CA -0.348 51.385 52.037 -0.507 0.000 0.842 139 A CB -0.005 18.778 19.000 -0.362 0.000 1.148 139 A HN 0.510 nan 8.150 nan 0.000 0.499 140 F N 1.394 121.217 119.950 -0.213 0.000 2.427 140 F HA 0.384 4.911 4.527 0.000 0.000 0.352 140 F C 1.199 176.891 175.800 -0.181 0.000 1.100 140 F CA -0.044 57.859 58.000 -0.161 0.000 1.191 140 F CB 0.881 39.859 39.000 -0.037 0.000 1.128 140 F HN 0.577 nan 8.300 nan 0.000 0.533 141 R N 1.663 122.154 120.500 -0.014 0.000 2.438 141 R HA 0.386 4.727 4.340 0.001 0.000 0.287 141 R C 0.599 176.835 176.300 -0.106 0.000 1.077 141 R CA -0.199 55.770 56.100 -0.219 0.000 1.034 141 R CB 0.478 30.666 30.300 -0.187 0.000 0.993 141 R HN 0.904 nan 8.270 nan 0.000 0.459 142 G N 1.675 110.318 108.800 -0.263 0.000 2.611 142 G HA2 0.005 3.965 3.960 0.001 0.000 0.273 142 G HA3 0.005 3.965 3.960 0.001 0.000 0.273 142 G C -0.550 174.495 174.900 0.242 0.000 1.305 142 G CA -0.543 44.636 45.100 0.133 0.000 1.010 142 G HN 0.617 nan 8.290 nan 0.000 0.509 143 T N 0.479 115.217 114.554 0.308 0.000 2.939 143 T HA 0.351 4.701 4.350 0.001 0.000 0.312 143 T C 0.518 175.403 174.700 0.308 0.000 1.064 143 T CA 1.387 63.646 62.100 0.266 0.000 1.136 143 T CB -0.006 69.009 68.868 0.245 0.000 1.035 143 T HN 2.062 nan 8.240 nan 0.000 0.538 144 S N 0.135 115.963 115.700 0.214 0.000 3.578 144 S HA 0.286 4.757 4.470 0.001 0.000 0.725 144 S C -0.431 174.252 174.600 0.138 0.000 0.868 144 S CA -0.666 57.647 58.200 0.188 0.000 1.156 144 S CB -1.067 62.280 63.200 0.244 0.000 0.743 144 S HN 1.580 nan 8.310 nan 0.000 0.344 145 G N -0.020 108.843 108.800 0.105 0.000 2.975 145 G HA2 0.829 4.789 3.960 0.001 0.000 0.291 145 G HA3 0.829 4.789 3.960 0.001 0.000 0.291 145 G C -3.463 171.469 174.900 0.052 0.000 1.334 145 G CA -1.282 43.854 45.100 0.059 0.000 0.843 145 G HN 0.741 nan 8.290 nan 0.000 0.548 146 P HA 0.099 nan 4.420 nan 0.000 0.263 146 P C 0.881 178.198 177.300 0.028 0.000 1.175 146 P CA 0.067 63.172 63.100 0.008 0.000 0.761 146 P CB 0.653 32.388 31.700 0.058 0.000 0.794 147 R N 2.272 122.778 120.500 0.011 0.000 2.133 147 R HA -0.253 4.088 4.340 0.001 0.000 0.247 147 R C 1.673 177.981 176.300 0.014 0.000 1.151 147 R CA 1.819 57.929 56.100 0.016 0.000 0.971 147 R CB -0.403 29.900 30.300 0.004 0.000 0.866 147 R HN 0.568 nan 8.270 nan 0.000 0.447 148 E N -0.055 120.151 120.200 0.010 0.000 2.147 148 E HA -0.186 4.165 4.350 0.001 0.000 0.199 148 E C 0.933 177.547 176.600 0.023 0.000 1.005 148 E CA 1.209 57.615 56.400 0.010 0.000 0.810 148 E CB -0.126 29.580 29.700 0.011 0.000 0.736 148 E HN 0.344 nan 8.360 nan 0.000 0.460 149 N N -0.358 118.367 118.700 0.042 0.000 2.536 149 N HA 0.041 4.782 4.740 0.001 0.000 0.286 149 N C 0.527 176.073 175.510 0.059 0.000 1.577 149 N CA -0.082 52.999 53.050 0.052 0.000 0.883 149 N CB 0.308 38.838 38.487 0.071 0.000 1.390 149 N HN 0.014 nan 8.380 nan 0.000 0.491 150 L N 0.934 122.185 121.223 0.048 0.000 1.994 150 L HA -0.059 4.282 4.340 0.001 0.000 0.208 150 L C 1.746 178.646 176.870 0.050 0.000 1.071 150 L CA 1.733 56.605 54.840 0.053 0.000 0.745 150 L CB -0.335 41.751 42.059 0.044 0.000 0.892 150 L HN 0.188 nan 8.230 nan 0.000 0.431 151 I N -0.669 119.922 120.570 0.036 0.000 2.142 151 I HA -0.257 3.914 4.170 0.001 0.000 0.240 151 I C 2.544 178.682 176.117 0.035 0.000 1.078 151 I CA 1.235 62.553 61.300 0.029 0.000 1.343 151 I CB -1.598 36.413 38.000 0.017 0.000 1.046 151 I HN 0.287 nan 8.210 nan 0.000 0.405 152 L N 0.977 122.222 121.223 0.038 0.000 2.012 152 L HA -0.232 4.109 4.340 0.001 0.000 0.210 152 L C 2.374 179.278 176.870 0.057 0.000 1.073 152 L CA 1.908 56.773 54.840 0.041 0.000 0.748 152 L CB -1.032 41.051 42.059 0.040 0.000 0.891 152 L HN 0.339 nan 8.230 nan 0.000 0.431 153 D N -1.502 118.943 120.400 0.074 0.000 2.117 153 D HA -0.154 4.486 4.640 0.001 0.000 0.197 153 D C 1.909 178.260 176.300 0.084 0.000 0.987 153 D CA 1.419 55.475 54.000 0.093 0.000 0.829 153 D CB 0.441 41.306 40.800 0.109 0.000 0.961 153 D HN 0.334 nan 8.370 nan 0.000 0.460 154 S N 0.296 116.040 115.700 0.074 0.000 2.382 154 S HA -0.106 4.364 4.470 0.001 0.000 0.228 154 S C 2.196 176.831 174.600 0.058 0.000 1.027 154 S CA 0.454 58.698 58.200 0.073 0.000 0.991 154 S CB -0.112 63.125 63.200 0.062 0.000 0.823 154 S HN 0.334 nan 8.310 nan 0.000 0.469 155 I N 1.554 122.150 120.570 0.043 0.000 2.163 155 I HA -0.186 3.985 4.170 0.001 0.000 0.243 155 I C 2.739 178.877 176.117 0.035 0.000 1.085 155 I CA 1.249 62.568 61.300 0.030 0.000 1.347 155 I CB -0.976 37.037 38.000 0.021 0.000 1.044 155 I HN 0.378 nan 8.210 nan 0.000 0.408 156 G N 0.585 109.412 108.800 0.045 0.000 2.491 156 G HA2 -0.301 3.660 3.960 0.001 0.000 0.218 156 G HA3 -0.301 3.660 3.960 0.001 0.000 0.218 156 G C 1.258 176.196 174.900 0.063 0.000 1.180 156 G CA 1.283 46.412 45.100 0.048 0.000 0.774 156 G HN 0.300 nan 8.290 nan 0.000 0.562 157 D N 0.152 120.606 120.400 0.090 0.000 2.116 157 D HA -0.115 4.526 4.640 0.001 0.000 0.193 157 D C 2.759 179.109 176.300 0.084 0.000 0.998 157 D CA 1.053 55.121 54.000 0.113 0.000 0.836 157 D CB -0.645 40.231 40.800 0.127 0.000 0.951 157 D HN 0.213 nan 8.370 nan 0.000 0.449 158 V N 1.030 120.983 119.914 0.064 0.000 2.407 158 V HA -0.221 3.899 4.120 0.001 0.000 0.248 158 V C 2.488 178.599 176.094 0.029 0.000 1.055 158 V CA 1.054 63.384 62.300 0.050 0.000 1.049 158 V CB -0.401 31.442 31.823 0.034 0.000 0.662 158 V HN 0.159 nan 8.190 nan 0.000 0.455 159 I N 0.615 121.193 120.570 0.013 0.000 2.208 159 I HA -0.296 3.874 4.170 0.001 0.000 0.245 159 I C 2.188 178.274 176.117 -0.051 0.000 1.097 159 I CA 2.155 63.442 61.300 -0.022 0.000 1.363 159 I CB -0.663 37.319 38.000 -0.031 0.000 1.051 159 I HN 0.397 nan 8.210 nan 0.000 0.413 160 N N 0.380 119.087 118.700 0.012 0.000 2.120 160 N HA -0.190 4.550 4.740 0.001 0.000 0.188 160 N C 1.389 176.914 175.510 0.025 0.000 1.024 160 N CA 1.251 54.357 53.050 0.092 0.000 0.852 160 N CB -0.089 38.548 38.487 0.249 0.000 1.003 160 N HN 0.344 nan 8.380 nan 0.000 0.424 161 D N 1.146 121.554 120.400 0.013 0.000 2.097 161 D HA -0.121 4.520 4.640 0.001 0.000 0.195 161 D C 2.061 178.336 176.300 -0.041 0.000 0.989 161 D CA 0.852 54.850 54.000 -0.002 0.000 0.827 161 D CB -0.359 40.471 40.800 0.051 0.000 0.966 161 D HN 0.263 nan 8.370 nan 0.000 0.456 162 L N 0.184 121.397 121.223 -0.018 0.000 2.083 162 L HA -0.160 4.180 4.340 0.001 0.000 0.209 162 L C 2.327 179.143 176.870 -0.091 0.000 1.083 162 L CA 0.349 55.210 54.840 0.036 0.000 0.752 162 L CB -0.212 41.911 42.059 0.107 0.000 0.899 162 L HN 0.061 nan 8.230 nan 0.000 0.433 163 L N -0.117 120.936 121.223 -0.283 0.000 2.141 163 L HA -0.090 4.251 4.340 0.001 0.000 0.209 163 L C 2.773 179.331 176.870 -0.521 0.000 1.094 163 L CA 1.815 56.292 54.840 -0.605 0.000 0.763 163 L CB -1.434 39.845 42.059 -1.301 0.000 0.908 163 L HN 0.167 nan 8.230 nan 0.000 0.437 164 A N -0.774 121.893 122.820 -0.255 0.000 1.978 164 A HA -0.159 4.161 4.320 0.001 0.000 0.220 164 A C 2.398 179.896 177.584 -0.145 0.000 1.170 164 A CA 1.956 53.989 52.037 -0.007 0.000 0.636 164 A CB -0.541 18.465 19.000 0.011 0.000 0.810 164 A HN 0.409 nan 8.150 nan 0.000 0.448 165 A N -2.309 120.297 122.820 -0.357 0.000 1.956 165 A HA 0.428 4.748 4.320 0.001 0.000 0.212 165 A C 1.305 178.424 177.584 -0.775 0.000 1.188 165 A CA 0.940 52.580 52.037 -0.661 0.000 0.675 165 A CB -0.058 18.253 19.000 -1.148 0.000 0.845 165 A HN 0.471 nan 8.150 nan 0.000 0.455 166 F N -1.145 118.715 119.950 -0.150 0.000 2.798 166 F HA 0.381 4.908 4.527 0.000 0.000 0.328 166 F C 1.366 177.084 175.800 -0.136 0.000 1.098 166 F CA -0.394 57.503 58.000 -0.171 0.000 1.172 166 F CB -0.015 38.847 39.000 -0.230 0.000 1.072 166 F HN 0.220 nan 8.300 nan 0.000 0.555 167 G N 0.238 109.015 108.800 -0.038 0.000 2.782 167 G HA2 0.487 4.447 3.960 0.001 0.000 0.201 167 G HA3 0.487 4.447 3.960 0.001 0.000 0.201 167 G C -2.319 172.599 174.900 0.029 0.000 1.374 167 G CA -1.215 43.849 45.100 -0.060 0.000 1.039 167 G HN -0.183 nan 8.290 nan 0.000 0.576 168 P HA 0.097 nan 4.420 nan 0.000 0.266 168 P C 0.697 178.072 177.300 0.126 0.000 1.193 168 P CA -0.097 63.078 63.100 0.125 0.000 0.770 168 P CB 0.961 32.769 31.700 0.180 0.000 0.836 169 K N 1.770 122.221 120.400 0.086 0.000 2.074 169 K HA -0.205 4.116 4.320 0.001 0.000 0.209 169 K C 0.361 177.008 176.600 0.079 0.000 1.048 169 K CA 1.723 58.051 56.287 0.069 0.000 0.926 169 K CB -0.156 32.372 32.500 0.047 0.000 0.713 169 K HN 0.357 nan 8.250 nan 0.000 0.444 170 D N -0.215 120.236 120.400 0.085 0.000 2.434 170 D HA -0.026 4.614 4.640 0.001 0.000 0.232 170 D C 0.651 177.011 176.300 0.101 0.000 1.166 170 D CA -0.032 54.009 54.000 0.068 0.000 0.830 170 D CB -0.030 40.789 40.800 0.031 0.000 0.960 170 D HN 0.319 nan 8.370 nan 0.000 0.497 171 Y N 1.917 122.244 120.300 0.044 0.000 2.145 171 Y HA -0.227 4.322 4.550 -0.001 0.000 0.286 171 Y C 2.282 178.245 175.900 0.106 0.000 1.145 171 Y CA 1.957 60.109 58.100 0.086 0.000 1.148 171 Y CB 0.065 38.571 38.460 0.077 0.000 0.981 171 Y HN 0.055 nan 8.280 nan 0.000 0.507 172 A N 0.696 123.646 122.820 0.218 0.000 1.865 172 A HA -0.282 4.038 4.320 0.001 0.000 0.217 172 A C 2.259 179.850 177.584 0.012 0.000 1.191 172 A CA 2.153 54.244 52.037 0.089 0.000 0.623 172 A CB -0.985 18.044 19.000 0.048 0.000 0.826 172 A HN 0.565 nan 8.150 nan 0.000 0.444 173 K N -0.511 119.892 120.400 0.005 0.000 2.107 173 K HA -0.245 4.076 4.320 0.001 0.000 0.211 173 K C 1.378 177.963 176.600 -0.025 0.000 1.049 173 K CA 2.051 58.330 56.287 -0.014 0.000 0.927 173 K CB -0.223 32.270 32.500 -0.012 0.000 0.714 173 K HN 0.475 nan 8.250 nan 0.000 0.452 174 N N -0.505 118.161 118.700 -0.056 0.000 2.422 174 N HA -0.092 4.649 4.740 0.001 0.000 0.181 174 N C 1.235 176.656 175.510 -0.148 0.000 1.080 174 N CA 0.440 53.427 53.050 -0.105 0.000 0.893 174 N CB -0.163 38.248 38.487 -0.126 0.000 0.973 174 N HN 0.293 nan 8.380 nan 0.000 0.456 175 Y N 1.985 122.123 120.300 -0.269 0.000 2.062 175 Y HA -0.314 4.236 4.550 0.000 0.000 0.276 175 Y C 2.105 177.886 175.900 -0.198 0.000 1.189 175 Y CA 1.703 59.667 58.100 -0.227 0.000 1.130 175 Y CB -0.325 38.061 38.460 -0.124 0.000 0.959 175 Y HN -0.174 nan 8.280 nan 0.000 0.499 176 V N -0.011 119.879 119.914 -0.040 0.000 2.548 176 V HA -0.209 3.912 4.120 0.001 0.000 0.249 176 V C 2.589 178.719 176.094 0.060 0.000 1.055 176 V CA 1.650 63.928 62.300 -0.036 0.000 1.065 176 V CB -1.443 30.365 31.823 -0.025 0.000 0.681 176 V HN 0.664 nan 8.190 nan 0.000 0.462 177 G N -0.054 108.780 108.800 0.056 0.000 2.459 177 G HA2 -0.229 3.731 3.960 0.001 0.000 0.217 177 G HA3 -0.229 3.731 3.960 0.001 0.000 0.217 177 G C 1.472 176.275 174.900 -0.162 0.000 1.183 177 G CA 0.783 45.898 45.100 0.025 0.000 0.776 177 G HN 0.487 nan 8.290 nan 0.000 0.552 178 E N 0.842 120.780 120.200 -0.435 0.000 2.072 178 E HA -0.008 4.342 4.350 0.001 0.000 0.191 178 E C 2.875 178.969 176.600 -0.843 0.000 0.985 178 E CA 1.047 56.995 56.400 -0.755 0.000 0.801 178 E CB -0.546 28.335 29.700 -1.365 0.000 0.750 178 E HN 0.383 nan 8.360 nan 0.000 0.452 179 A N -0.052 122.221 122.820 -0.911 0.000 1.898 179 A HA -0.020 4.301 4.320 0.001 0.000 0.214 179 A C 1.019 178.054 177.584 -0.916 0.000 1.183 179 A CA 0.923 52.392 52.037 -0.946 0.000 0.622 179 A CB -0.080 18.206 19.000 -1.190 0.000 0.824 179 A HN 0.190 nan 8.150 nan 0.000 0.444 180 F N -1.500 118.413 119.950 -0.062 0.000 2.802 180 F HA 0.314 4.843 4.527 0.003 0.000 0.346 180 F C 1.758 177.624 175.800 0.109 0.000 1.229 180 F CA -0.516 57.499 58.000 0.025 0.000 1.142 180 F CB -0.175 38.828 39.000 0.005 0.000 1.146 180 F HN 0.158 nan 8.300 nan 0.000 0.510 181 G N 0.785 109.756 108.800 0.285 0.000 2.476 181 G HA2 -0.299 3.662 3.960 0.001 0.000 0.218 181 G HA3 -0.299 3.662 3.960 0.001 0.000 0.218 181 G C 1.714 176.894 174.900 0.466 0.000 1.164 181 G CA 1.306 46.681 45.100 0.458 0.000 0.768 181 G HN 0.245 nan 8.290 nan 0.000 0.560 182 N N 0.332 119.215 118.700 0.305 0.000 2.062 182 N HA -0.072 4.668 4.740 0.001 0.000 0.191 182 N C 2.152 177.833 175.510 0.284 0.000 1.042 182 N CA 1.135 54.362 53.050 0.295 0.000 0.845 182 N CB -0.738 37.917 38.487 0.280 0.000 1.024 182 N HN 0.246 nan 8.380 nan 0.000 0.424 183 L N 1.749 123.126 121.223 0.256 0.000 2.034 183 L HA -0.154 4.186 4.340 0.001 0.000 0.217 183 L C 2.028 178.774 176.870 -0.207 0.000 1.077 183 L CA 1.547 56.269 54.840 -0.197 0.000 0.769 183 L CB -0.719 41.028 42.059 -0.521 0.000 0.890 183 L HN 0.173 nan 8.230 nan 0.000 0.435 184 L N -0.798 120.336 121.223 -0.149 0.000 2.217 184 L HA -0.153 4.187 4.340 0.001 0.000 0.211 184 L C 2.298 179.121 176.870 -0.078 0.000 1.107 184 L CA 0.859 55.503 54.840 -0.326 0.000 0.783 184 L CB -0.727 40.755 42.059 -0.962 0.000 0.919 184 L HN 0.418 nan 8.230 nan 0.000 0.442 185 N N 0.319 119.118 118.700 0.165 0.000 2.120 185 N HA -0.183 4.557 4.740 0.001 0.000 0.188 185 N C 1.369 176.932 175.510 0.089 0.000 1.024 185 N CA 1.383 54.569 53.050 0.226 0.000 0.852 185 N CB -0.227 38.425 38.487 0.276 0.000 1.003 185 N HN 0.292 nan 8.380 nan 0.000 0.424 186 D N 0.332 120.778 120.400 0.077 0.000 2.178 186 D HA -0.077 4.564 4.640 0.001 0.000 0.201 186 D C 2.040 178.346 176.300 0.010 0.000 0.980 186 D CA 0.447 54.479 54.000 0.054 0.000 0.842 186 D CB -0.181 40.675 40.800 0.095 0.000 0.948 186 D HN 0.057 nan 8.370 nan 0.000 0.472 187 V N 0.601 120.487 119.914 -0.047 0.000 2.358 187 V HA -0.187 3.933 4.120 0.001 0.000 0.246 187 V C 2.675 178.765 176.094 -0.007 0.000 1.047 187 V CA 0.860 63.162 62.300 0.003 0.000 1.035 187 V CB -0.437 31.370 31.823 -0.027 0.000 0.658 187 V HN 0.053 nan 8.190 nan 0.000 0.452 188 V N 0.656 120.469 119.914 -0.168 0.000 2.282 188 V HA -0.319 3.801 4.120 0.001 0.000 0.249 188 V C 2.751 178.560 176.094 -0.474 0.000 1.057 188 V CA 2.303 64.209 62.300 -0.657 0.000 1.032 188 V CB -1.263 30.186 31.823 -0.624 0.000 0.645 188 V HN 0.567 nan 8.190 nan 0.000 0.447 189 A N -0.736 121.971 122.820 -0.189 0.000 1.902 189 A HA -0.231 4.089 4.320 0.001 0.000 0.217 189 A C 2.113 179.680 177.584 -0.028 0.000 1.181 189 A CA 2.001 53.981 52.037 -0.095 0.000 0.623 189 A CB -0.703 18.294 19.000 -0.005 0.000 0.818 189 A HN 0.533 nan 8.150 nan 0.000 0.443 190 F N 0.956 120.842 119.950 -0.107 0.000 2.134 190 F HA -0.043 4.485 4.527 0.002 0.000 0.299 190 F C 2.497 178.261 175.800 -0.060 0.000 1.097 190 F CA 1.101 59.068 58.000 -0.056 0.000 1.264 190 F CB -0.441 38.539 39.000 -0.034 0.000 1.001 190 F HN 0.250 nan 8.300 nan 0.000 0.479 191 A N 0.822 123.601 122.820 -0.068 0.000 1.858 191 A HA -0.179 4.141 4.320 0.001 0.000 0.216 191 A C 2.314 179.816 177.584 -0.137 0.000 1.190 191 A CA 1.712 53.692 52.037 -0.094 0.000 0.617 191 A CB -0.665 18.383 19.000 0.080 0.000 0.827 191 A HN 0.318 nan 8.150 nan 0.000 0.443 192 K N -0.133 120.159 120.400 -0.180 0.000 2.020 192 K HA -0.180 4.140 4.320 0.001 0.000 0.212 192 K C 2.271 178.797 176.600 -0.123 0.000 1.050 192 K CA 1.446 57.660 56.287 -0.121 0.000 0.929 192 K CB -0.858 31.549 32.500 -0.153 0.000 0.714 192 K HN 0.461 nan 8.250 nan 0.000 0.443 193 A N 2.053 124.778 122.820 -0.159 0.000 1.986 193 A HA -0.176 4.144 4.320 0.001 0.000 0.220 193 A C 1.645 179.105 177.584 -0.205 0.000 1.171 193 A CA 1.620 53.560 52.037 -0.161 0.000 0.640 193 A CB -0.349 18.559 19.000 -0.154 0.000 0.811 193 A HN 0.366 nan 8.150 nan 0.000 0.451 194 N N -1.236 117.294 118.700 -0.283 0.000 2.230 194 N HA 0.190 4.930 4.740 0.001 0.000 0.202 194 N C 0.914 176.326 175.510 -0.162 0.000 1.119 194 N CA 0.738 53.633 53.050 -0.259 0.000 0.851 194 N CB 0.532 38.788 38.487 -0.386 0.000 0.990 194 N HN 0.610 nan 8.380 nan 0.000 0.497 195 G N 1.132 109.861 108.800 -0.118 0.000 2.143 195 G HA2 -0.251 3.709 3.960 0.001 0.000 0.248 195 G HA3 -0.251 3.709 3.960 0.001 0.000 0.248 195 G C -0.222 174.655 174.900 -0.039 0.000 0.991 195 G CA 0.017 45.073 45.100 -0.073 0.000 0.689 195 G HN 0.150 nan 8.290 nan 0.000 0.522 196 L N 1.053 122.266 121.223 -0.018 0.000 2.375 196 L HA 0.819 5.159 4.340 0.001 0.000 0.268 196 L C 0.978 177.929 176.870 0.136 0.000 1.058 196 L CA 0.398 55.258 54.840 0.034 0.000 0.803 196 L CB 1.853 43.933 42.059 0.035 0.000 1.212 196 L HN 0.496 nan 8.230 nan 0.000 0.451 197 S N -0.453 115.280 115.700 0.054 0.000 2.837 197 S HA 0.575 5.045 4.470 0.001 0.000 0.314 197 S C 1.001 175.320 174.600 -0.469 0.000 1.098 197 S CA -0.131 57.998 58.200 -0.119 0.000 0.903 197 S CB 0.679 63.785 63.200 -0.157 0.000 1.310 197 S HN 0.664 nan 8.310 nan 0.000 0.581 198 G N 1.146 109.360 108.800 -0.976 0.000 2.442 198 G HA2 -0.242 3.718 3.960 0.001 0.000 0.219 198 G HA3 -0.242 3.718 3.960 0.001 0.000 0.219 198 G C 1.292 176.062 174.900 -0.216 0.000 1.141 198 G CA 1.162 45.825 45.100 -0.728 0.000 0.763 198 G HN 0.927 nan 8.290 nan 0.000 0.554 199 K N 0.244 120.561 120.400 -0.138 0.000 2.280 199 K HA -0.038 4.282 4.320 0.001 0.000 0.202 199 K C 0.798 177.408 176.600 0.016 0.000 1.047 199 K CA 1.509 57.797 56.287 0.002 0.000 0.942 199 K CB 0.015 32.536 32.500 0.035 0.000 0.739 199 K HN 0.129 nan 8.250 nan 0.000 0.457 200 D N 1.398 121.791 120.400 -0.011 0.000 2.325 200 D HA 0.058 4.698 4.640 0.001 0.000 0.225 200 D C -0.441 175.885 176.300 0.044 0.000 1.096 200 D CA 0.137 54.145 54.000 0.014 0.000 0.844 200 D CB 0.612 41.419 40.800 0.012 0.000 0.925 200 D HN 0.005 nan 8.370 nan 0.000 0.513 201 V N 1.832 121.765 119.914 0.032 0.000 2.448 201 V HA 0.284 4.404 4.120 0.001 0.000 0.295 201 V C -0.317 175.732 176.094 -0.074 0.000 1.025 201 V CA -1.006 61.318 62.300 0.041 0.000 0.859 201 V CB 2.291 34.218 31.823 0.175 0.000 0.988 201 V HN -0.062 nan 8.190 nan 0.000 0.431 202 L N 6.798 127.952 121.223 -0.114 0.000 2.296 202 L HA 0.744 5.085 4.340 0.001 0.000 0.286 202 L C -0.540 176.133 176.870 -0.330 0.000 1.023 202 L CA 0.043 54.748 54.840 -0.225 0.000 0.812 202 L CB 1.750 43.704 42.059 -0.176 0.000 1.223 202 L HN 0.449 nan 8.230 nan 0.000 0.421 203 V N 4.594 124.283 119.914 -0.376 0.000 2.409 203 V HA 0.767 4.888 4.120 0.001 0.000 0.291 203 V C 0.021 176.004 176.094 -0.185 0.000 1.020 203 V CA -0.235 61.882 62.300 -0.305 0.000 0.848 203 V CB 1.030 32.698 31.823 -0.259 0.000 0.990 203 V HN 0.906 nan 8.190 nan 0.000 0.430 204 S N 2.373 117.970 115.700 -0.173 0.000 2.794 204 S HA 1.009 5.479 4.470 0.001 0.000 0.299 204 S C -0.349 174.253 174.600 0.003 0.000 1.179 204 S CA 0.145 58.286 58.200 -0.098 0.000 0.838 204 S CB 2.115 65.226 63.200 -0.149 0.000 1.206 204 S HN 1.622 nan 8.310 nan 0.000 0.523 205 G N 0.589 109.425 108.800 0.060 0.000 2.350 205 G HA2 0.304 4.264 3.960 0.001 0.000 0.305 205 G HA3 0.304 4.264 3.960 0.001 0.000 0.305 205 G C -2.112 172.890 174.900 0.170 0.000 1.479 205 G CA -0.738 44.417 45.100 0.092 0.000 0.949 205 G HN 0.832 nan 8.290 nan 0.000 0.651 206 H N 0.403 119.480 119.070 0.011 0.000 2.600 206 H HA 0.725 5.281 4.556 0.000 0.000 0.357 206 H C 0.710 176.090 175.328 0.087 0.000 1.106 206 H CA 0.833 56.900 56.048 0.032 0.000 1.193 206 H CB 1.957 31.745 29.762 0.043 0.000 1.594 206 H HN 1.523 nan 8.280 nan 0.000 0.526 207 S N 2.331 117.879 115.700 -0.253 0.000 4.118 207 S HA -0.328 4.142 4.470 0.001 0.000 0.624 207 S C 1.489 176.102 174.600 0.022 0.000 1.929 207 S CA 1.307 59.483 58.200 -0.039 0.000 4.219 207 S CB -1.303 62.044 63.200 0.246 0.000 0.206 207 S HN 0.639 nan 8.310 nan 0.000 0.525 208 L N 2.860 124.127 121.223 0.072 0.000 2.081 208 L HA 0.127 4.467 4.340 0.001 0.000 0.212 208 L C 2.407 179.245 176.870 -0.053 0.000 1.080 208 L CA 3.187 58.009 54.840 -0.030 0.000 0.754 208 L CB -1.372 40.688 42.059 0.002 0.000 0.893 208 L HN 0.735 nan 8.230 nan 0.000 0.433 209 G N -1.314 107.513 108.800 0.044 0.000 2.422 209 G HA2 -0.165 3.796 3.960 0.001 0.000 0.218 209 G HA3 -0.165 3.796 3.960 0.001 0.000 0.218 209 G C 1.482 176.424 174.900 0.070 0.000 1.140 209 G CA 0.513 45.670 45.100 0.095 0.000 0.775 209 G HN 0.600 nan 8.290 nan 0.000 0.545 210 G N 0.703 109.520 108.800 0.029 0.000 2.403 210 G HA2 -0.095 3.866 3.960 0.001 0.000 0.216 210 G HA3 -0.095 3.866 3.960 0.001 0.000 0.216 210 G C 1.717 176.597 174.900 -0.032 0.000 1.154 210 G CA 0.680 45.784 45.100 0.007 0.000 0.784 210 G HN 0.434 nan 8.290 nan 0.000 0.538 211 L N 0.757 121.935 121.223 -0.074 0.000 2.013 211 L HA -0.070 4.271 4.340 0.001 0.000 0.212 211 L C 3.121 179.893 176.870 -0.162 0.000 1.073 211 L CA 1.968 56.733 54.840 -0.125 0.000 0.753 211 L CB -0.281 41.665 42.059 -0.188 0.000 0.890 211 L HN 0.259 nan 8.230 nan 0.000 0.432 212 A N -0.710 121.976 122.820 -0.225 0.000 1.940 212 A HA -0.172 4.149 4.320 0.001 0.000 0.219 212 A C 2.202 179.523 177.584 -0.439 0.000 1.176 212 A CA 1.907 53.705 52.037 -0.398 0.000 0.631 212 A CB -1.058 17.544 19.000 -0.664 0.000 0.814 212 A HN 0.370 nan 8.150 nan 0.000 0.446 213 V N 1.128 120.963 119.914 -0.132 0.000 2.282 213 V HA -0.326 3.795 4.120 0.001 0.000 0.249 213 V C 2.301 178.408 176.094 0.021 0.000 1.057 213 V CA 2.277 64.636 62.300 0.099 0.000 1.032 213 V CB -0.913 30.997 31.823 0.145 0.000 0.645 213 V HN 0.611 nan 8.190 nan 0.000 0.447 214 N N -0.402 118.269 118.700 -0.048 0.000 2.216 214 N HA -0.133 4.607 4.740 0.001 0.000 0.183 214 N C 2.163 177.613 175.510 -0.101 0.000 1.017 214 N CA 1.523 54.525 53.050 -0.079 0.000 0.861 214 N CB -0.127 38.327 38.487 -0.055 0.000 0.986 214 N HN 0.481 nan 8.380 nan 0.000 0.428 215 S N 1.443 117.091 115.700 -0.088 0.000 2.353 215 S HA -0.131 4.339 4.470 0.001 0.000 0.222 215 S C 2.011 176.600 174.600 -0.018 0.000 1.035 215 S CA 1.011 59.181 58.200 -0.052 0.000 1.025 215 S CB -0.132 63.050 63.200 -0.030 0.000 0.902 215 S HN 0.251 nan 8.310 nan 0.000 0.440 216 M N 0.873 120.460 119.600 -0.023 0.000 2.086 216 M HA -0.080 4.401 4.480 0.001 0.000 0.261 216 M C 2.196 178.502 176.300 0.010 0.000 1.067 216 M CA 1.801 57.167 55.300 0.111 0.000 1.116 216 M CB -0.572 32.140 32.600 0.187 0.000 1.348 216 M HN 0.468 nan 8.290 nan 0.000 0.407 217 A N 0.428 123.006 122.820 -0.403 0.000 1.892 217 A HA -0.249 4.071 4.320 0.001 0.000 0.218 217 A C 1.719 179.162 177.584 -0.236 0.000 1.188 217 A CA 2.326 53.930 52.037 -0.723 0.000 0.631 217 A CB -1.175 17.289 19.000 -0.893 0.000 0.822 217 A HN 0.583 nan 8.150 nan 0.000 0.447 218 D N -0.114 120.204 120.400 -0.138 0.000 2.123 218 D HA -0.123 4.518 4.640 0.001 0.000 0.196 218 D C 1.783 178.075 176.300 -0.013 0.000 0.992 218 D CA 1.223 55.187 54.000 -0.060 0.000 0.833 218 D CB -0.294 40.477 40.800 -0.047 0.000 0.954 218 D HN 0.483 nan 8.370 nan 0.000 0.455 219 L N 0.734 121.979 121.223 0.037 0.000 2.492 219 L HA -0.030 4.310 4.340 0.001 0.000 0.223 219 L C 2.349 179.297 176.870 0.129 0.000 1.132 219 L CA 0.426 55.290 54.840 0.040 0.000 0.850 219 L CB -0.234 41.847 42.059 0.037 0.000 0.966 219 L HN 0.004 nan 8.230 nan 0.000 0.454 220 S N -0.237 115.608 115.700 0.243 0.000 2.402 220 S HA -0.092 4.379 4.470 0.001 0.000 0.229 220 S C 2.107 176.875 174.600 0.279 0.000 1.021 220 S CA 0.865 59.313 58.200 0.413 0.000 0.974 220 S CB -0.784 62.676 63.200 0.434 0.000 0.800 220 S HN 0.401 nan 8.310 nan 0.000 0.484 221 G N 1.256 110.143 108.800 0.145 0.000 2.418 221 G HA2 0.136 4.097 3.960 0.001 0.000 0.217 221 G HA3 0.136 4.097 3.960 0.001 0.000 0.217 221 G C 1.338 176.279 174.900 0.069 0.000 1.158 221 G CA 0.702 45.859 45.100 0.094 0.000 0.771 221 G HN 0.675 nan 8.290 nan 0.000 0.545 222 G N -0.551 108.265 108.800 0.026 0.000 2.709 222 G HA2 0.223 4.183 3.960 0.001 0.000 0.208 222 G HA3 0.223 4.183 3.960 0.001 0.000 0.208 222 G C 0.882 175.728 174.900 -0.089 0.000 1.129 222 G CA -0.105 44.978 45.100 -0.029 0.000 0.793 222 G HN 0.289 nan 8.290 nan 0.000 0.524 223 K N -0.641 119.656 120.400 -0.171 0.000 2.177 223 K HA 0.222 4.543 4.320 0.001 0.000 0.238 223 K C 0.001 176.510 176.600 -0.151 0.000 1.015 223 K CA -0.959 55.051 56.287 -0.462 0.000 0.922 223 K CB 0.841 32.629 32.500 -1.188 0.000 1.127 223 K HN 0.264 nan 8.250 nan 0.000 0.469 224 W N 0.037 121.435 121.300 0.163 0.000 5.950 224 W HA -0.217 4.443 4.660 -0.000 0.000 0.383 224 W C 0.717 177.318 176.519 0.137 0.000 1.418 224 W CA 1.051 58.506 57.345 0.184 0.000 0.994 224 W CB -2.546 27.132 29.460 0.362 0.000 2.552 224 W HN 1.110 nan 8.180 nan 0.000 1.551 225 G N -1.133 107.774 108.800 0.179 0.000 2.203 225 G HA2 0.035 3.995 3.960 0.001 0.000 0.263 225 G HA3 0.035 3.995 3.960 0.001 0.000 0.263 225 G C 1.219 176.222 174.900 0.171 0.000 1.012 225 G CA 1.230 46.414 45.100 0.140 0.000 0.749 225 G HN 1.778 nan 8.290 nan 0.000 0.512 226 G N -1.532 107.392 108.800 0.206 0.000 2.175 226 G HA2 -0.289 3.671 3.960 0.001 0.000 0.265 226 G HA3 -0.289 3.671 3.960 0.001 0.000 0.265 226 G C 1.028 176.063 174.900 0.224 0.000 0.979 226 G CA 1.142 46.363 45.100 0.202 0.000 0.663 226 G HN 1.544 nan 8.290 nan 0.000 0.533 227 F N 0.456 120.454 119.950 0.081 0.000 2.126 227 F HA 0.162 4.690 4.527 0.001 0.000 0.299 227 F C 2.001 177.729 175.800 -0.121 0.000 1.096 227 F CA 1.952 59.884 58.000 -0.114 0.000 1.255 227 F CB -0.174 38.621 39.000 -0.342 0.000 0.997 227 F HN 0.140 nan 8.300 nan 0.000 0.479 228 F N 0.134 120.257 119.950 0.287 0.000 2.804 228 F HA 0.259 4.786 4.527 0.001 0.000 0.303 228 F C 2.125 178.067 175.800 0.238 0.000 1.154 228 F CA 0.383 58.501 58.000 0.197 0.000 1.401 228 F CB -1.256 37.932 39.000 0.314 0.000 1.106 228 F HN 0.054 nan 8.300 nan 0.000 0.568 229 A N -0.435 122.562 122.820 0.295 0.000 2.024 229 A HA -0.168 4.153 4.320 0.001 0.000 0.220 229 A C 1.612 179.337 177.584 0.234 0.000 1.164 229 A CA 1.884 54.070 52.037 0.248 0.000 0.643 229 A CB -0.327 18.758 19.000 0.141 0.000 0.806 229 A HN 0.201 nan 8.150 nan 0.000 0.451 230 D N -0.654 119.838 120.400 0.155 0.000 2.462 230 D HA 0.214 4.854 4.640 0.001 0.000 0.221 230 D C 0.058 176.443 176.300 0.141 0.000 1.173 230 D CA 0.042 54.115 54.000 0.121 0.000 0.831 230 D CB 0.400 41.213 40.800 0.021 0.000 1.001 230 D HN 0.224 nan 8.370 nan 0.000 0.499 231 S N 0.815 116.620 115.700 0.174 0.000 2.606 231 S HA 0.181 4.652 4.470 0.001 0.000 0.257 231 S C 0.497 175.087 174.600 -0.017 0.000 1.327 231 S CA -0.274 57.928 58.200 0.003 0.000 0.984 231 S CB 0.629 63.744 63.200 -0.142 0.000 0.941 231 S HN 0.149 nan 8.310 nan 0.000 0.576 232 N N 1.199 119.796 118.700 -0.173 0.000 2.437 232 N HA 0.296 5.037 4.740 0.001 0.000 0.259 232 N C -1.710 173.576 175.510 -0.373 0.000 0.983 232 N CA -0.067 52.974 53.050 -0.016 0.000 0.937 232 N CB 0.857 39.331 38.487 -0.022 0.000 1.122 232 N HN 0.462 nan 8.380 nan 0.000 0.499 233 Y N 1.980 122.294 120.300 0.023 0.000 2.345 233 Y HA 0.492 5.043 4.550 0.000 0.000 0.331 233 Y C 0.229 175.994 175.900 -0.225 0.000 0.959 233 Y CA -0.578 57.495 58.100 -0.046 0.000 1.204 233 Y CB 1.206 39.714 38.460 0.079 0.000 1.135 233 Y HN 0.294 nan 8.280 nan 0.000 0.477 234 I N 3.559 124.002 120.570 -0.211 0.000 2.411 234 I HA 0.615 4.786 4.170 0.001 0.000 0.284 234 I C -0.415 175.455 176.117 -0.412 0.000 1.012 234 I CA -0.787 60.300 61.300 -0.355 0.000 1.119 234 I CB 1.328 39.043 38.000 -0.476 0.000 1.261 234 I HN 0.637 nan 8.210 nan 0.000 0.448 235 A N 6.323 128.932 122.820 -0.352 0.000 2.317 235 A HA 0.763 5.084 4.320 0.001 0.000 0.327 235 A C -1.416 175.893 177.584 -0.459 0.000 1.178 235 A CA -0.295 51.570 52.037 -0.287 0.000 0.817 235 A CB 0.551 19.514 19.000 -0.062 0.000 1.189 235 A HN 0.566 nan 8.150 nan 0.000 0.489 236 Y N 1.050 121.295 120.300 -0.090 0.000 2.341 236 Y HA 0.474 5.024 4.550 0.000 0.000 0.337 236 Y C 1.025 176.736 175.900 -0.315 0.000 1.014 236 Y CA 0.186 58.168 58.100 -0.198 0.000 1.111 236 Y CB 1.750 40.060 38.460 -0.249 0.000 1.194 236 Y HN 1.300 nan 8.280 nan 0.000 0.462 237 A N 1.842 124.581 122.820 -0.136 0.000 2.799 237 A HA -0.236 4.084 4.320 0.001 0.000 0.287 237 A C 0.707 178.350 177.584 0.098 0.000 1.484 237 A CA 0.868 52.877 52.037 -0.046 0.000 0.813 237 A CB -1.844 16.822 19.000 -0.556 0.000 1.009 237 A HN 0.629 nan 8.150 nan 0.000 0.545 238 S N 0.138 115.953 115.700 0.191 0.000 2.549 238 S HA 0.457 4.928 4.470 0.001 0.000 0.279 238 S C -0.263 174.375 174.600 0.062 0.000 1.321 238 S CA -0.693 57.555 58.200 0.080 0.000 1.054 238 S CB 0.732 63.964 63.200 0.054 0.000 0.899 238 S HN 0.397 nan 8.310 nan 0.000 0.497 239 P HA 0.039 nan 4.420 nan 0.000 0.229 239 P C 0.443 177.667 177.300 -0.127 0.000 1.160 239 P CA 0.647 63.682 63.100 -0.108 0.000 0.777 239 P CB -0.293 31.337 31.700 -0.116 0.000 0.814 240 T N -2.813 111.688 114.554 -0.087 0.000 2.942 240 T HA 0.632 4.982 4.350 0.001 0.000 0.289 240 T C -0.652 174.008 174.700 -0.066 0.000 1.044 240 T CA -0.719 61.331 62.100 -0.084 0.000 1.023 240 T CB 1.765 70.593 68.868 -0.067 0.000 1.123 240 T HN -0.209 nan 8.240 nan 0.000 0.512 241 Q N 0.981 120.743 119.800 -0.063 0.000 2.337 241 Q HA 0.605 4.945 4.340 0.001 0.000 0.270 241 Q C -0.181 175.795 176.000 -0.039 0.000 1.043 241 Q CA -0.608 55.170 55.803 -0.042 0.000 0.794 241 Q CB 1.938 30.651 28.738 -0.043 0.000 1.281 241 Q HN 0.826 nan 8.270 nan 0.000 0.446 242 S N 1.007 116.684 115.700 -0.038 0.000 2.554 242 S HA -0.045 4.426 4.470 0.001 0.000 0.290 242 S C 0.745 175.324 174.600 -0.035 0.000 1.309 242 S CA 0.128 58.299 58.200 -0.047 0.000 1.047 242 S CB 0.350 63.508 63.200 -0.070 0.000 0.828 242 S HN 0.663 nan 8.310 nan 0.000 0.509 243 S N 2.113 117.792 115.700 -0.035 0.000 2.547 243 S HA 0.014 4.484 4.470 0.001 0.000 0.235 243 S C 1.039 175.624 174.600 -0.025 0.000 0.980 243 S CA 0.922 59.106 58.200 -0.026 0.000 0.941 243 S CB -0.489 62.697 63.200 -0.024 0.000 0.763 243 S HN 0.955 nan 8.310 nan 0.000 0.532 244 T N 0.059 114.594 114.554 -0.033 0.000 2.884 244 T HA 0.351 4.701 4.350 0.001 0.000 0.277 244 T C 0.129 174.822 174.700 -0.011 0.000 0.976 244 T CA -0.494 61.589 62.100 -0.027 0.000 0.956 244 T CB 0.957 69.796 68.868 -0.048 0.000 1.113 244 T HN 0.109 nan 8.240 nan 0.000 0.554 245 D N -1.606 118.792 120.400 -0.003 0.000 2.388 245 D HA 0.158 4.799 4.640 0.001 0.000 0.221 245 D C 0.975 177.297 176.300 0.037 0.000 1.133 245 D CA -0.275 53.732 54.000 0.011 0.000 0.831 245 D CB -0.004 40.792 40.800 -0.006 0.000 0.962 245 D HN 0.592 nan 8.370 nan 0.000 0.502 246 K N -0.222 120.210 120.400 0.054 0.000 2.356 246 K HA 0.146 4.466 4.320 0.001 0.000 0.195 246 K C -0.058 176.743 176.600 0.335 0.000 1.037 246 K CA 0.240 56.615 56.287 0.146 0.000 1.014 246 K CB 1.068 33.591 32.500 0.039 0.000 0.815 246 K HN 0.051 nan 8.250 nan 0.000 0.507 247 V N 2.447 122.501 119.914 0.233 0.000 2.417 247 V HA 0.193 4.313 4.120 0.001 0.000 0.291 247 V C -0.728 175.526 176.094 0.267 0.000 1.024 247 V CA -1.036 61.419 62.300 0.259 0.000 0.861 247 V CB 1.572 33.457 31.823 0.104 0.000 0.985 247 V HN 0.056 nan 8.190 nan 0.000 0.436 248 L N 5.095 126.480 121.223 0.270 0.000 2.261 248 L HA 0.464 4.805 4.340 0.001 0.000 0.289 248 L C -0.001 176.922 176.870 0.089 0.000 1.059 248 L CA 0.403 55.370 54.840 0.210 0.000 0.816 248 L CB 0.308 42.494 42.059 0.212 0.000 1.191 248 L HN 0.648 nan 8.230 nan 0.000 0.431 249 N N 3.928 122.720 118.700 0.153 0.000 2.500 249 N HA 0.393 5.134 4.740 0.001 0.000 0.236 249 N C -1.166 174.525 175.510 0.303 0.000 1.022 249 N CA -0.410 52.758 53.050 0.197 0.000 0.935 249 N CB 1.181 39.802 38.487 0.223 0.000 1.147 249 N HN 0.411 nan 8.380 nan 0.000 0.512 250 V N 1.431 121.402 119.914 0.095 0.000 2.472 250 V HA 0.873 4.994 4.120 0.001 0.000 0.290 250 V C 0.812 176.706 176.094 -0.332 0.000 1.037 250 V CA -0.427 61.893 62.300 0.034 0.000 0.908 250 V CB 1.254 33.113 31.823 0.060 0.000 0.985 250 V HN 0.742 nan 8.190 nan 0.000 0.454 251 G N 2.606 110.917 108.800 -0.815 0.000 2.495 251 G HA2 0.487 4.447 3.960 0.001 0.000 0.294 251 G HA3 0.487 4.447 3.960 0.001 0.000 0.294 251 G C -2.095 172.315 174.900 -0.817 0.000 1.397 251 G CA -0.685 43.712 45.100 -1.172 0.000 0.790 251 G HN 0.299 nan 8.290 nan 0.000 0.486 252 Y N 1.207 121.263 120.300 -0.407 0.000 2.335 252 Y HA 0.268 4.818 4.550 0.001 0.000 0.331 252 Y C 1.994 177.965 175.900 0.118 0.000 1.094 252 Y CA -0.063 57.929 58.100 -0.179 0.000 1.253 252 Y CB 1.561 39.862 38.460 -0.265 0.000 1.203 252 Y HN 0.835 nan 8.280 nan 0.000 0.508 253 E N 0.605 121.007 120.200 0.336 0.000 2.268 253 E HA -0.203 4.147 4.350 0.001 0.000 0.195 253 E C 0.689 177.434 176.600 0.242 0.000 0.995 253 E CA 1.367 57.974 56.400 0.346 0.000 0.836 253 E CB -0.124 29.729 29.700 0.255 0.000 0.763 253 E HN 0.688 nan 8.360 nan 0.000 0.491 254 N N 1.154 119.969 118.700 0.190 0.000 2.336 254 N HA -0.077 4.663 4.740 0.001 0.000 0.189 254 N C -0.311 175.420 175.510 0.368 0.000 1.113 254 N CA 0.194 53.377 53.050 0.222 0.000 0.858 254 N CB 0.017 38.607 38.487 0.172 0.000 0.970 254 N HN 0.062 nan 8.380 nan 0.000 0.471 255 D N 2.573 123.174 120.400 0.335 0.000 2.338 255 D HA 0.119 4.759 4.640 0.001 0.000 0.255 255 D C -1.419 175.043 176.300 0.270 0.000 1.237 255 D CA -2.121 52.050 54.000 0.285 0.000 0.883 255 D CB 1.509 42.570 40.800 0.436 0.000 1.087 255 D HN 0.079 nan 8.370 nan 0.000 0.485 256 P HA -0.097 nan 4.420 nan 0.000 0.229 256 P C 1.353 178.633 177.300 -0.033 0.000 1.160 256 P CA 0.221 63.280 63.100 -0.069 0.000 0.777 256 P CB 0.513 31.875 31.700 -0.562 0.000 0.814 257 V N -0.416 119.294 119.914 -0.340 0.000 2.453 257 V HA -0.113 4.008 4.120 0.001 0.000 0.247 257 V C 1.439 177.526 176.094 -0.011 0.000 1.048 257 V CA 0.717 62.801 62.300 -0.360 0.000 1.049 257 V CB -1.261 30.105 31.823 -0.762 0.000 0.672 257 V HN 0.007 nan 8.190 nan 0.000 0.457 258 F N 2.099 122.072 119.950 0.039 0.000 2.533 258 F HA 0.350 4.878 4.527 0.000 0.000 0.378 258 F C 1.249 177.135 175.800 0.144 0.000 1.070 258 F CA -0.759 57.306 58.000 0.107 0.000 1.172 258 F CB -0.566 38.559 39.000 0.208 0.000 1.085 258 F HN 0.144 nan 8.300 nan 0.000 0.552 259 R N 2.390 122.666 120.500 -0.373 0.000 3.951 259 R HA -0.258 4.083 4.340 0.001 0.000 0.352 259 R C 1.318 177.337 176.300 -0.468 0.000 1.178 259 R CA 0.591 56.446 56.100 -0.409 0.000 0.949 259 R CB -2.150 27.845 30.300 -0.509 0.000 1.452 259 R HN 0.707 nan 8.270 nan 0.000 0.540 260 A N 0.686 123.096 122.820 -0.684 0.000 1.948 260 A HA -0.063 4.258 4.320 0.001 0.000 0.220 260 A C 1.102 178.349 177.584 -0.562 0.000 1.177 260 A CA 1.172 52.591 52.037 -1.030 0.000 0.636 260 A CB -0.049 18.634 19.000 -0.527 0.000 0.815 260 A HN 0.284 nan 8.150 nan 0.000 0.449 261 L N -0.945 120.074 121.223 -0.340 0.000 2.344 261 L HA 0.467 4.807 4.340 0.001 0.000 0.272 261 L C -0.834 175.927 176.870 -0.183 0.000 1.035 261 L CA -0.800 53.907 54.840 -0.222 0.000 0.807 261 L CB 1.436 43.408 42.059 -0.145 0.000 1.237 261 L HN 0.109 nan 8.230 nan 0.000 0.442 262 D N 0.333 120.652 120.400 -0.135 0.000 2.453 262 D HA 0.286 4.926 4.640 0.001 0.000 0.238 262 D C 0.989 177.250 176.300 -0.065 0.000 1.088 262 D CA -0.304 53.637 54.000 -0.099 0.000 0.854 262 D CB 1.917 42.665 40.800 -0.085 0.000 1.076 262 D HN 0.587 nan 8.370 nan 0.000 0.533 263 G N 2.117 110.882 108.800 -0.057 0.000 2.503 263 G HA2 -0.227 3.733 3.960 0.001 0.000 0.221 263 G HA3 -0.227 3.733 3.960 0.001 0.000 0.221 263 G C 0.975 175.840 174.900 -0.059 0.000 1.131 263 G CA 0.744 45.807 45.100 -0.061 0.000 0.756 263 G HN 0.490 nan 8.290 nan 0.000 0.572 264 S N -0.437 115.237 115.700 -0.043 0.000 2.650 264 S HA 0.229 4.700 4.470 0.001 0.000 0.240 264 S C 0.265 174.844 174.600 -0.036 0.000 1.007 264 S CA -0.319 57.857 58.200 -0.039 0.000 0.984 264 S CB 0.956 64.149 63.200 -0.013 0.000 0.910 264 S HN 0.213 nan 8.310 nan 0.000 0.509 265 T N 2.429 116.961 114.554 -0.036 0.000 2.799 265 T HA 0.423 4.774 4.350 0.001 0.000 0.286 265 T C -0.626 174.070 174.700 -0.008 0.000 0.973 265 T CA -0.344 61.752 62.100 -0.007 0.000 1.035 265 T CB 0.579 69.445 68.868 -0.003 0.000 0.932 265 T HN 0.264 nan 8.240 nan 0.000 0.469 266 F N 4.295 124.172 119.950 -0.122 0.000 2.467 266 F HA 0.432 4.960 4.527 0.002 0.000 0.362 266 F C 0.930 176.712 175.800 -0.029 0.000 1.090 266 F CA -0.136 57.794 58.000 -0.118 0.000 1.202 266 F CB 0.426 39.319 39.000 -0.180 0.000 1.113 266 F HN 0.645 nan 8.300 nan 0.000 0.541 267 T N 1.276 115.514 114.554 -0.527 0.000 2.858 267 T HA 0.498 4.849 4.350 0.001 0.000 0.285 267 T C 1.005 175.457 174.700 -0.414 0.000 1.052 267 T CA -0.327 61.602 62.100 -0.286 0.000 1.009 267 T CB 1.138 69.908 68.868 -0.163 0.000 1.241 267 T HN 0.553 nan 8.240 nan 0.000 0.542 268 G N -0.109 108.593 108.800 -0.163 0.000 2.422 268 G HA2 0.094 4.054 3.960 0.001 0.000 0.218 268 G HA3 0.094 4.054 3.960 0.001 0.000 0.218 268 G C 1.641 176.478 174.900 -0.104 0.000 1.140 268 G CA 0.727 45.768 45.100 -0.098 0.000 0.775 268 G HN 1.154 nan 8.290 nan 0.000 0.545 269 A N 0.695 123.459 122.820 -0.093 0.000 2.125 269 A HA 0.093 4.414 4.320 0.001 0.000 0.219 269 A C 2.596 180.194 177.584 0.024 0.000 1.156 269 A CA 1.895 53.928 52.037 -0.007 0.000 0.671 269 A CB -0.368 18.649 19.000 0.028 0.000 0.794 269 A HN 0.282 nan 8.150 nan 0.000 0.459 270 S N -0.471 115.086 115.700 -0.238 0.000 2.382 270 S HA -0.128 4.343 4.470 0.001 0.000 0.228 270 S C 1.633 176.213 174.600 -0.035 0.000 1.027 270 S CA 1.590 59.601 58.200 -0.316 0.000 0.991 270 S CB -0.400 62.303 63.200 -0.828 0.000 0.823 270 S HN 0.955 nan 8.310 nan 0.000 0.469 271 V N -1.288 118.624 119.914 -0.003 0.000 3.514 271 V HA 0.600 4.721 4.120 0.001 0.000 0.301 271 V C 0.694 176.869 176.094 0.135 0.000 1.346 271 V CA 0.325 62.699 62.300 0.124 0.000 1.156 271 V CB -0.301 31.634 31.823 0.186 0.000 1.029 271 V HN 0.300 nan 8.190 nan 0.000 0.428 272 G N -0.137 108.767 108.800 0.173 0.000 3.214 272 G HA2 0.516 4.477 3.960 0.001 0.000 0.188 272 G HA3 0.516 4.477 3.960 0.001 0.000 0.188 272 G C -0.767 174.305 174.900 0.286 0.000 1.126 272 G CA -0.309 44.914 45.100 0.205 0.000 0.796 272 G HN 0.132 nan 8.290 nan 0.000 0.631 273 V N 1.775 121.823 119.914 0.223 0.000 2.470 273 V HA 0.342 4.463 4.120 0.001 0.000 0.276 273 V C -0.411 175.671 176.094 -0.020 0.000 1.040 273 V CA -0.026 62.291 62.300 0.029 0.000 1.008 273 V CB 0.254 32.036 31.823 -0.069 0.000 0.990 273 V HN 0.799 nan 8.190 nan 0.000 0.477 274 H N 0.342 119.464 119.070 0.087 0.000 2.379 274 H HA 0.506 5.062 4.556 0.001 0.000 0.229 274 H C -0.391 174.930 175.328 -0.012 0.000 1.423 274 H CA -0.757 55.296 56.048 0.008 0.000 1.375 274 H CB 0.210 29.954 29.762 -0.029 0.000 1.592 274 H HN 0.502 nan 8.280 nan 0.000 0.507 275 D N 1.365 121.765 120.400 -0.001 0.000 2.501 275 D HA 0.293 4.934 4.640 0.001 0.000 0.226 275 D C 0.503 176.814 176.300 0.018 0.000 1.198 275 D CA -0.261 53.739 54.000 -0.000 0.000 0.830 275 D CB 0.066 40.844 40.800 -0.036 0.000 1.014 275 D HN 0.697 nan 8.370 nan 0.000 0.496 276 A N 1.019 123.849 122.820 0.016 0.000 2.445 276 A HA 0.431 4.752 4.320 0.001 0.000 0.242 276 A C -2.161 175.430 177.584 0.012 0.000 1.075 276 A CA -0.865 51.179 52.037 0.012 0.000 0.777 276 A CB -0.042 18.960 19.000 0.004 0.000 1.013 276 A HN 0.163 nan 8.150 nan 0.000 0.493 277 P HA 0.170 nan 4.420 nan 0.000 0.265 277 P C -0.705 176.601 177.300 0.010 0.000 1.193 277 P CA 0.472 63.589 63.100 0.027 0.000 0.765 277 P CB 0.362 32.081 31.700 0.031 0.000 0.823 278 K N 2.400 122.807 120.400 0.012 0.000 2.471 278 K HA 0.125 4.445 4.320 0.001 0.000 0.252 278 K C 0.804 177.419 176.600 0.025 0.000 0.938 278 K CA -0.626 55.661 56.287 -0.000 0.000 0.796 278 K CB 1.875 34.352 32.500 -0.038 0.000 1.161 278 K HN 0.312 nan 8.250 nan 0.000 0.425 279 E N 1.388 121.601 120.200 0.021 0.000 2.097 279 E HA -0.185 4.166 4.350 0.001 0.000 0.196 279 E C 1.350 177.982 176.600 0.053 0.000 1.000 279 E CA 2.187 58.606 56.400 0.031 0.000 0.804 279 E CB 0.166 29.877 29.700 0.018 0.000 0.740 279 E HN 0.654 nan 8.360 nan 0.000 0.454 280 S N -0.733 115.000 115.700 0.055 0.000 2.522 280 S HA 0.234 4.705 4.470 0.001 0.000 0.227 280 S C 0.805 175.485 174.600 0.134 0.000 0.986 280 S CA 0.295 58.548 58.200 0.089 0.000 0.929 280 S CB 0.152 63.395 63.200 0.072 0.000 0.769 280 S HN 0.306 nan 8.310 nan 0.000 0.529 281 A N 2.130 125.029 122.820 0.131 0.000 2.325 281 A HA 0.634 4.954 4.320 0.001 0.000 0.333 281 A C 0.312 178.038 177.584 0.236 0.000 1.155 281 A CA -0.495 51.675 52.037 0.222 0.000 0.814 281 A CB 0.723 19.805 19.000 0.138 0.000 1.206 281 A HN 0.455 nan 8.150 nan 0.000 0.482 282 T N -0.071 114.676 114.554 0.321 0.000 2.743 282 T HA 0.208 4.559 4.350 0.001 0.000 0.290 282 T C -0.194 174.693 174.700 0.311 0.000 0.908 282 T CA -0.250 61.999 62.100 0.250 0.000 1.092 282 T CB 0.354 69.356 68.868 0.224 0.000 0.882 282 T HN 0.508 nan 8.240 nan 0.000 0.531 283 D N 2.629 123.156 120.400 0.211 0.000 2.348 283 D HA -0.001 4.640 4.640 0.001 0.000 0.211 283 D C 0.486 176.914 176.300 0.214 0.000 0.998 283 D CA 0.308 54.440 54.000 0.220 0.000 0.873 283 D CB 0.317 41.201 40.800 0.140 0.000 0.925 283 D HN 0.577 nan 8.370 nan 0.000 0.524 284 N N 0.625 119.417 118.700 0.153 0.000 2.517 284 N HA 0.186 4.926 4.740 0.001 0.000 0.285 284 N C -0.301 175.228 175.510 0.031 0.000 1.528 284 N CA -0.071 53.031 53.050 0.086 0.000 0.892 284 N CB 1.566 40.061 38.487 0.012 0.000 1.356 284 N HN 0.136 nan 8.380 nan 0.000 0.495 285 I N 1.089 121.719 120.570 0.100 0.000 2.315 285 I HA 0.294 4.464 4.170 0.001 0.000 0.291 285 I C -0.029 176.199 176.117 0.185 0.000 1.006 285 I CA -0.810 60.555 61.300 0.108 0.000 1.265 285 I CB 1.492 39.536 38.000 0.073 0.000 1.387 285 I HN -0.332 nan 8.210 nan 0.000 0.475 286 V N 5.119 125.091 119.914 0.097 0.000 2.398 286 V HA 0.173 4.293 4.120 0.001 0.000 0.286 286 V C 0.417 176.380 176.094 -0.219 0.000 1.026 286 V CA -0.425 61.819 62.300 -0.094 0.000 0.868 286 V CB 1.749 33.462 31.823 -0.184 0.000 0.982 286 V HN 0.791 nan 8.190 nan 0.000 0.443 287 S N 5.377 120.734 115.700 -0.571 0.000 2.411 287 S HA 0.332 4.802 4.470 0.001 0.000 0.304 287 S C -0.475 173.832 174.600 -0.488 0.000 1.098 287 S CA -0.437 57.268 58.200 -0.825 0.000 1.068 287 S CB -0.450 61.927 63.200 -1.372 0.000 1.032 287 S HN 0.524 nan 8.310 nan 0.000 0.511 288 F N 7.377 127.124 119.950 -0.340 0.000 2.515 288 F HA 0.328 4.856 4.527 0.001 0.000 0.353 288 F C 0.367 176.159 175.800 -0.012 0.000 1.213 288 F CA -0.645 57.277 58.000 -0.130 0.000 1.194 288 F CB -0.167 38.835 39.000 0.004 0.000 1.488 288 F HN 0.685 nan 8.300 nan 0.000 0.619 289 N N 1.236 119.857 118.700 -0.132 0.000 2.592 289 N HA 0.253 4.994 4.740 0.001 0.000 0.292 289 N C 0.357 175.885 175.510 0.030 0.000 1.260 289 N CA -0.743 52.306 53.050 -0.003 0.000 0.910 289 N CB 0.346 38.727 38.487 -0.176 0.000 1.257 289 N HN 0.114 nan 8.380 nan 0.000 0.569 290 D N -1.603 118.914 120.400 0.196 0.000 2.178 290 D HA -0.190 4.450 4.640 0.001 0.000 0.201 290 D C 1.310 177.729 176.300 0.199 0.000 0.980 290 D CA 1.264 55.391 54.000 0.213 0.000 0.842 290 D CB -0.349 40.647 40.800 0.326 0.000 0.948 290 D HN 0.626 nan 8.370 nan 0.000 0.472 291 H N -0.493 118.584 119.070 0.011 0.000 2.299 291 H HA -0.169 4.387 4.556 0.001 0.000 0.302 291 H C 1.990 177.354 175.328 0.059 0.000 1.078 291 H CA 1.306 57.351 56.048 -0.006 0.000 1.323 291 H CB -0.535 29.082 29.762 -0.241 0.000 1.381 291 H HN 0.172 nan 8.280 nan 0.000 0.498 292 Y N 1.204 121.496 120.300 -0.014 0.000 2.151 292 Y HA -0.268 4.282 4.550 0.001 0.000 0.284 292 Y C 2.705 178.423 175.900 -0.303 0.000 1.166 292 Y CA 2.236 60.248 58.100 -0.146 0.000 1.163 292 Y CB -0.609 37.683 38.460 -0.280 0.000 0.974 292 Y HN 0.321 nan 8.280 nan 0.000 0.511 293 A N -1.117 121.497 122.820 -0.343 0.000 2.066 293 A HA 0.003 4.324 4.320 0.001 0.000 0.218 293 A C 1.491 179.034 177.584 -0.069 0.000 1.157 293 A CA 0.811 52.673 52.037 -0.292 0.000 0.670 293 A CB -0.744 18.176 19.000 -0.135 0.000 0.804 293 A HN 0.311 nan 8.150 nan 0.000 0.453 294 S N -0.269 115.422 115.700 -0.015 0.000 2.481 294 S HA 0.267 4.737 4.470 0.001 0.000 0.276 294 S C 1.218 175.827 174.600 0.014 0.000 1.247 294 S CA 0.152 58.400 58.200 0.079 0.000 1.053 294 S CB 0.530 63.905 63.200 0.291 0.000 0.925 294 S HN 0.426 nan 8.310 nan 0.000 0.491 295 T N 5.324 119.885 114.554 0.012 0.000 2.737 295 T HA -0.061 4.289 4.350 0.001 0.000 0.265 295 T C 2.134 176.825 174.700 -0.014 0.000 1.038 295 T CA 1.514 63.610 62.100 -0.006 0.000 1.144 295 T CB -0.519 68.351 68.868 0.004 0.000 0.866 295 T HN 0.787 nan 8.240 nan 0.000 0.434 296 A N 0.496 123.291 122.820 -0.041 0.000 1.883 296 A HA -0.120 4.201 4.320 0.001 0.000 0.217 296 A C 2.085 179.599 177.584 -0.117 0.000 1.186 296 A CA 1.481 53.451 52.037 -0.112 0.000 0.624 296 A CB -1.290 17.592 19.000 -0.197 0.000 0.822 296 A HN 0.686 nan 8.150 nan 0.000 0.444 297 W N 0.068 121.335 121.300 -0.056 0.000 2.325 297 W HA -0.191 4.470 4.660 0.001 0.000 0.299 297 W C 1.679 178.154 176.519 -0.074 0.000 1.215 297 W CA 1.496 58.789 57.345 -0.087 0.000 1.244 297 W CB -0.276 29.001 29.460 -0.305 0.000 1.140 297 W HN 0.417 nan 8.180 nan 0.000 0.523 298 N N -0.236 118.528 118.700 0.107 0.000 2.398 298 N HA 0.052 4.793 4.740 0.001 0.000 0.188 298 N C 1.271 176.832 175.510 0.085 0.000 1.122 298 N CA 0.228 53.334 53.050 0.093 0.000 0.866 298 N CB -0.209 38.282 38.487 0.006 0.000 0.970 298 N HN 0.092 nan 8.380 nan 0.000 0.462 299 L N 0.135 121.396 121.223 0.063 0.000 2.456 299 L HA 0.020 4.360 4.340 0.001 0.000 0.224 299 L C 0.260 177.183 176.870 0.088 0.000 1.148 299 L CA 0.599 55.470 54.840 0.051 0.000 0.825 299 L CB -0.167 41.899 42.059 0.011 0.000 0.937 299 L HN 0.200 nan 8.230 nan 0.000 0.450 300 L N 0.312 121.623 121.223 0.147 0.000 2.360 300 L HA 0.371 4.712 4.340 0.001 0.000 0.271 300 L C -2.046 174.949 176.870 0.209 0.000 1.057 300 L CA -2.056 52.894 54.840 0.183 0.000 0.803 300 L CB 0.857 43.070 42.059 0.258 0.000 1.207 300 L HN -0.196 nan 8.230 nan 0.000 0.445 301 P HA 0.035 nan 4.420 nan 0.000 0.276 301 P C -0.741 176.705 177.300 0.244 0.000 1.230 301 P CA -0.248 62.970 63.100 0.196 0.000 0.776 301 P CB 0.494 32.283 31.700 0.150 0.000 0.888 302 F N 2.865 122.895 119.950 0.133 0.000 2.533 302 F HA 0.296 4.824 4.527 0.002 0.000 0.378 302 F C 0.305 176.166 175.800 0.102 0.000 1.070 302 F CA 1.163 59.240 58.000 0.127 0.000 1.172 302 F CB 0.259 39.313 39.000 0.091 0.000 1.085 302 F HN 0.286 nan 8.300 nan 0.000 0.552 303 S N 6.501 121.936 115.700 -0.442 0.000 2.570 303 S HA 0.219 4.690 4.470 0.001 0.000 0.286 303 S C 0.523 174.990 174.600 -0.221 0.000 1.143 303 S CA -0.864 57.205 58.200 -0.218 0.000 0.921 303 S CB 0.807 64.020 63.200 0.022 0.000 1.108 303 S HN 0.841 nan 8.310 nan 0.000 0.456 304 I N 4.311 124.811 120.570 -0.116 0.000 2.479 304 I HA -0.186 3.984 4.170 0.001 0.000 0.258 304 I C 1.215 177.532 176.117 0.335 0.000 1.165 304 I CA 1.536 62.877 61.300 0.069 0.000 1.422 304 I CB 0.042 38.083 38.000 0.069 0.000 1.087 304 I HN 0.725 nan 8.210 nan 0.000 0.441 305 L N -0.551 120.789 121.223 0.194 0.000 2.418 305 L HA -0.024 4.316 4.340 0.001 0.000 0.218 305 L C 1.098 178.055 176.870 0.145 0.000 1.125 305 L CA 0.305 55.250 54.840 0.174 0.000 0.835 305 L CB -0.587 41.557 42.059 0.142 0.000 0.953 305 L HN 0.252 nan 8.230 nan 0.000 0.454 306 N N 0.907 119.694 118.700 0.145 0.000 2.558 306 N HA 0.090 4.830 4.740 0.001 0.000 0.233 306 N C 1.015 176.635 175.510 0.183 0.000 1.038 306 N CA -0.404 52.732 53.050 0.143 0.000 0.934 306 N CB 0.756 39.319 38.487 0.126 0.000 1.175 306 N HN -0.037 nan 8.380 nan 0.000 0.512 307 I N 5.285 125.933 120.570 0.130 0.000 2.226 307 I HA -0.104 4.066 4.170 0.001 0.000 0.245 307 I C -0.740 175.468 176.117 0.152 0.000 1.100 307 I CA 0.408 61.739 61.300 0.052 0.000 1.374 307 I CB -2.044 35.912 38.000 -0.073 0.000 1.057 307 I HN 0.559 nan 8.210 nan 0.000 0.413 308 P HA -0.136 nan 4.420 nan 0.000 0.219 308 P C 1.716 178.959 177.300 -0.096 0.000 1.146 308 P CA 1.810 64.949 63.100 0.066 0.000 0.808 308 P CB -0.370 31.164 31.700 -0.277 0.000 0.779 309 T N -5.226 109.215 114.554 -0.189 0.000 2.946 309 T HA -0.185 4.165 4.350 0.001 0.000 0.271 309 T C 1.302 175.876 174.700 -0.211 0.000 1.104 309 T CA 0.695 62.528 62.100 -0.446 0.000 1.114 309 T CB -1.204 67.446 68.868 -0.362 0.000 0.867 309 T HN 0.077 nan 8.240 nan 0.000 0.513 310 W N 0.866 122.039 121.300 -0.212 0.000 2.825 310 W HA 0.404 5.065 4.660 0.001 0.000 0.243 310 W C 1.980 178.400 176.519 -0.165 0.000 1.293 310 W CA -1.243 56.037 57.345 -0.107 0.000 1.403 310 W CB -0.625 28.816 29.460 -0.033 0.000 1.134 310 W HN 0.262 nan 8.180 nan 0.000 0.666 311 I N 0.380 120.858 120.570 -0.154 0.000 2.236 311 I HA -0.399 3.772 4.170 0.001 0.000 0.249 311 I C 1.696 177.566 176.117 -0.411 0.000 1.102 311 I CA 1.743 62.743 61.300 -0.501 0.000 1.365 311 I CB -0.157 37.225 38.000 -1.029 0.000 1.051 311 I HN -0.207 nan 8.210 nan 0.000 0.420 312 S N -0.890 114.647 115.700 -0.272 0.000 2.555 312 S HA -0.174 4.296 4.470 0.001 0.000 0.230 312 S C 1.530 176.182 174.600 0.087 0.000 0.978 312 S CA 0.655 58.738 58.200 -0.194 0.000 0.934 312 S CB -0.430 62.689 63.200 -0.135 0.000 0.766 312 S HN 0.626 nan 8.310 nan 0.000 0.533 313 H N 1.107 120.199 119.070 0.035 0.000 2.562 313 H HA 0.323 4.880 4.556 0.001 0.000 0.267 313 H C 0.409 175.914 175.328 0.294 0.000 0.959 313 H CA -0.127 56.061 56.048 0.233 0.000 1.204 313 H CB -0.120 29.668 29.762 0.043 0.000 1.430 313 H HN 0.201 nan 8.280 nan 0.000 0.545 314 L N 3.116 124.331 121.223 -0.013 0.000 2.601 314 L HA -0.027 4.313 4.340 0.001 0.000 0.277 314 L C -1.086 175.672 176.870 -0.186 0.000 1.219 314 L CA -0.683 54.029 54.840 -0.215 0.000 0.915 314 L CB 0.434 42.279 42.059 -0.356 0.000 1.160 314 L HN 0.289 nan 8.230 nan 0.000 0.494 315 P HA -0.105 nan 4.420 nan 0.000 0.218 315 P C 1.430 178.588 177.300 -0.237 0.000 1.149 315 P CA 1.086 63.831 63.100 -0.592 0.000 0.817 315 P CB 0.148 31.307 31.700 -0.901 0.000 0.785 316 T N -0.031 114.409 114.554 -0.191 0.000 2.833 316 T HA -0.073 4.277 4.350 0.001 0.000 0.269 316 T C 1.975 176.651 174.700 -0.041 0.000 1.054 316 T CA 1.620 63.661 62.100 -0.098 0.000 1.135 316 T CB -0.682 68.143 68.868 -0.072 0.000 0.869 316 T HN 0.099 nan 8.240 nan 0.000 0.466 317 A N -0.078 122.717 122.820 -0.042 0.000 1.968 317 A HA 0.007 4.327 4.320 0.001 0.000 0.217 317 A C 1.948 179.620 177.584 0.147 0.000 1.169 317 A CA 0.998 53.031 52.037 -0.007 0.000 0.638 317 A CB -0.814 18.102 19.000 -0.140 0.000 0.812 317 A HN 0.552 nan 8.150 nan 0.000 0.446 318 Y N 0.063 120.399 120.300 0.062 0.000 2.114 318 Y HA -0.131 4.420 4.550 0.001 0.000 0.284 318 Y C 2.820 178.658 175.900 -0.104 0.000 1.143 318 Y CA 1.471 59.552 58.100 -0.031 0.000 1.135 318 Y CB -0.685 37.651 38.460 -0.206 0.000 0.980 318 Y HN 0.349 nan 8.280 nan 0.000 0.499 319 G N -0.807 107.992 108.800 -0.001 0.000 2.421 319 G HA2 -0.337 3.624 3.960 0.001 0.000 0.216 319 G HA3 -0.337 3.624 3.960 0.001 0.000 0.216 319 G C 1.172 176.080 174.900 0.015 0.000 1.171 319 G CA 1.425 46.489 45.100 -0.061 0.000 0.775 319 G HN 0.460 nan 8.290 nan 0.000 0.543 320 D N -0.241 120.180 120.400 0.034 0.000 2.103 320 D HA 0.047 4.688 4.640 0.001 0.000 0.199 320 D C 2.589 178.942 176.300 0.088 0.000 0.978 320 D CA 1.490 55.522 54.000 0.053 0.000 0.829 320 D CB -0.496 40.331 40.800 0.046 0.000 0.981 320 D HN 0.199 nan 8.370 nan 0.000 0.464 321 G N -0.151 108.721 108.800 0.120 0.000 2.403 321 G HA2 -0.153 3.808 3.960 0.001 0.000 0.216 321 G HA3 -0.153 3.808 3.960 0.001 0.000 0.216 321 G C 1.598 176.608 174.900 0.183 0.000 1.154 321 G CA 0.369 45.567 45.100 0.164 0.000 0.784 321 G HN 0.238 nan 8.290 nan 0.000 0.538 322 M N 0.386 120.091 119.600 0.174 0.000 2.419 322 M HA 0.054 4.535 4.480 0.001 0.000 0.264 322 M C 2.255 178.707 176.300 0.253 0.000 1.082 322 M CA 0.785 56.221 55.300 0.227 0.000 1.119 322 M CB -0.183 32.579 32.600 0.271 0.000 1.398 322 M HN 0.246 nan 8.290 nan 0.000 0.453 323 N N 1.067 119.881 118.700 0.190 0.000 2.166 323 N HA -0.124 4.617 4.740 0.001 0.000 0.186 323 N C 1.615 177.191 175.510 0.111 0.000 1.019 323 N CA 1.347 54.488 53.050 0.151 0.000 0.856 323 N CB 0.082 38.626 38.487 0.095 0.000 0.993 323 N HN 0.218 nan 8.380 nan 0.000 0.426 324 R N -0.285 120.282 120.500 0.113 0.000 2.148 324 R HA 0.061 4.402 4.340 0.001 0.000 0.223 324 R C 1.989 178.357 176.300 0.114 0.000 1.088 324 R CA 0.831 56.991 56.100 0.100 0.000 0.985 324 R CB -0.177 30.184 30.300 0.102 0.000 0.880 324 R HN 0.367 nan 8.270 nan 0.000 0.451 325 I N 0.686 121.342 120.570 0.143 0.000 2.113 325 I HA -0.304 3.867 4.170 0.001 0.000 0.238 325 I C 2.202 178.403 176.117 0.140 0.000 1.070 325 I CA 1.126 62.518 61.300 0.153 0.000 1.332 325 I CB -0.306 37.786 38.000 0.154 0.000 1.044 325 I HN 0.093 nan 8.210 nan 0.000 0.402 326 I N 0.965 121.565 120.570 0.050 0.000 2.145 326 I HA -0.333 3.837 4.170 0.001 0.000 0.244 326 I C 2.294 178.309 176.117 -0.170 0.000 1.075 326 I CA 1.996 63.173 61.300 -0.205 0.000 1.332 326 I CB -1.067 36.890 38.000 -0.072 0.000 1.033 326 I HN 0.398 nan 8.210 nan 0.000 0.410 327 E N -0.037 120.144 120.200 -0.031 0.000 2.482 327 E HA -0.038 4.313 4.350 0.001 0.000 0.196 327 E C 0.941 177.545 176.600 0.006 0.000 1.047 327 E CA -0.117 56.273 56.400 -0.017 0.000 0.869 327 E CB 0.090 29.797 29.700 0.011 0.000 0.836 327 E HN 0.201 nan 8.360 nan 0.000 0.520 328 S N 1.089 116.820 115.700 0.051 0.000 2.533 328 S HA -0.013 4.457 4.470 0.001 0.000 0.282 328 S C 1.204 175.815 174.600 0.019 0.000 1.304 328 S CA -0.332 57.905 58.200 0.062 0.000 1.063 328 S CB 0.549 63.846 63.200 0.162 0.000 0.881 328 S HN 0.038 nan 8.310 nan 0.000 0.493 329 K N 3.682 124.007 120.400 -0.126 0.000 2.360 329 K HA -0.100 4.221 4.320 0.001 0.000 0.201 329 K C 0.611 177.130 176.600 -0.135 0.000 1.046 329 K CA 1.303 57.475 56.287 -0.193 0.000 0.940 329 K CB -0.245 32.050 32.500 -0.343 0.000 0.748 329 K HN 0.689 nan 8.250 nan 0.000 0.465 330 F N -0.987 119.023 119.950 0.100 0.000 2.727 330 F HA 0.058 4.586 4.527 0.001 0.000 0.302 330 F C 1.888 177.653 175.800 -0.060 0.000 1.097 330 F CA -0.965 57.069 58.000 0.057 0.000 1.330 330 F CB -0.754 38.356 39.000 0.184 0.000 1.084 330 F HN 0.006 nan 8.300 nan 0.000 0.578 331 Y N 2.423 122.737 120.300 0.023 0.000 2.114 331 Y HA -0.342 4.209 4.550 0.001 0.000 0.282 331 Y C 2.057 177.879 175.900 -0.131 0.000 1.165 331 Y CA 2.338 60.377 58.100 -0.101 0.000 1.148 331 Y CB -0.452 37.961 38.460 -0.079 0.000 0.972 331 Y HN 0.222 nan 8.280 nan 0.000 0.504 332 D N -0.499 119.888 120.400 -0.022 0.000 2.378 332 D HA -0.126 4.514 4.640 0.001 0.000 0.227 332 D C 1.514 177.741 176.300 -0.123 0.000 1.012 332 D CA 0.970 54.923 54.000 -0.079 0.000 0.905 332 D CB -0.817 40.031 40.800 0.079 0.000 0.895 332 D HN 0.506 nan 8.370 nan 0.000 0.532 333 L N 0.169 121.305 121.223 -0.145 0.000 2.418 333 L HA 0.106 4.447 4.340 0.001 0.000 0.218 333 L C 1.133 177.845 176.870 -0.264 0.000 1.125 333 L CA 0.566 55.331 54.840 -0.125 0.000 0.835 333 L CB -0.659 41.362 42.059 -0.063 0.000 0.953 333 L HN 0.120 nan 8.230 nan 0.000 0.454 334 T N -1.860 112.361 114.554 -0.555 0.000 2.922 334 T HA 0.526 4.876 4.350 0.001 0.000 0.285 334 T C 0.160 174.583 174.700 -0.462 0.000 1.005 334 T CA -0.564 61.119 62.100 -0.695 0.000 1.061 334 T CB 1.953 70.238 68.868 -0.971 0.000 1.007 334 T HN 0.185 nan 8.240 nan 0.000 0.502 335 S N 0.838 116.342 115.700 -0.328 0.000 2.740 335 S HA 0.468 4.939 4.470 0.001 0.000 0.300 335 S C 0.985 175.470 174.600 -0.192 0.000 1.147 335 S CA -1.150 56.920 58.200 -0.218 0.000 0.871 335 S CB 1.677 64.817 63.200 -0.101 0.000 1.173 335 S HN 0.811 nan 8.310 nan 0.000 0.510 336 K N 0.154 120.494 120.400 -0.100 0.000 2.089 336 K HA -0.160 4.160 4.320 0.001 0.000 0.210 336 K C 0.092 176.679 176.600 -0.022 0.000 1.048 336 K CA 2.151 58.414 56.287 -0.041 0.000 0.926 336 K CB -0.256 32.261 32.500 0.029 0.000 0.714 336 K HN 0.590 nan 8.250 nan 0.000 0.448 337 D N 0.276 120.669 120.400 -0.011 0.000 2.463 337 D HA 0.088 4.729 4.640 0.001 0.000 0.224 337 D C -0.628 175.679 176.300 0.011 0.000 1.174 337 D CA 0.057 54.069 54.000 0.020 0.000 0.829 337 D CB 0.697 41.526 40.800 0.048 0.000 0.993 337 D HN 0.010 nan 8.370 nan 0.000 0.497 338 S N 0.543 116.220 115.700 -0.039 0.000 2.558 338 S HA 0.057 4.528 4.470 0.001 0.000 0.288 338 S C 0.613 175.220 174.600 0.012 0.000 1.318 338 S CA 0.177 58.377 58.200 0.000 0.000 1.056 338 S CB 0.702 63.799 63.200 -0.172 0.000 0.853 338 S HN 0.112 nan 8.310 nan 0.000 0.505 339 T N 4.574 119.168 114.554 0.067 0.000 2.769 339 T HA 0.328 4.678 4.350 0.001 0.000 0.293 339 T C 0.053 174.813 174.700 0.100 0.000 0.931 339 T CA 0.168 62.236 62.100 -0.053 0.000 1.139 339 T CB -0.551 68.224 68.868 -0.156 0.000 0.881 339 T HN 0.374 nan 8.240 nan 0.000 0.532 340 I N 4.633 125.226 120.570 0.039 0.000 2.447 340 I HA 0.384 4.555 4.170 0.001 0.000 0.287 340 I C -0.525 175.646 176.117 0.090 0.000 1.023 340 I CA -0.997 60.369 61.300 0.110 0.000 1.083 340 I CB 1.846 39.864 38.000 0.030 0.000 1.245 340 I HN 0.359 nan 8.210 nan 0.000 0.434 341 I N 7.041 127.683 120.570 0.121 0.000 2.328 341 I HA 0.320 4.490 4.170 0.001 0.000 0.287 341 I C -0.061 176.129 176.117 0.121 0.000 1.012 341 I CA -0.707 60.658 61.300 0.108 0.000 1.195 341 I CB 1.317 39.384 38.000 0.113 0.000 1.350 341 I HN 0.151 nan 8.210 nan 0.000 0.464 342 V N 5.770 125.753 119.914 0.114 0.000 2.370 342 V HA 0.417 4.538 4.120 0.001 0.000 0.279 342 V C 0.898 177.056 176.094 0.107 0.000 1.029 342 V CA -0.851 61.523 62.300 0.122 0.000 0.870 342 V CB 1.415 33.337 31.823 0.165 0.000 0.984 342 V HN 0.852 nan 8.190 nan 0.000 0.451 343 A N 4.528 127.410 122.820 0.104 0.000 2.473 343 A HA 0.292 4.613 4.320 0.001 0.000 0.282 343 A C 0.632 178.284 177.584 0.114 0.000 1.163 343 A CA 0.120 52.224 52.037 0.111 0.000 0.827 343 A CB -0.440 18.594 19.000 0.057 0.000 1.098 343 A HN 0.795 nan 8.150 nan 0.000 0.515 344 N N 2.334 121.121 118.700 0.146 0.000 2.517 344 N HA 0.218 4.958 4.740 0.001 0.000 0.285 344 N C -0.630 175.007 175.510 0.212 0.000 1.528 344 N CA -0.040 53.071 53.050 0.102 0.000 0.892 344 N CB 0.351 38.802 38.487 -0.060 0.000 1.356 344 N HN 0.636 nan 8.380 nan 0.000 0.495 345 L N 0.936 122.294 121.223 0.224 0.000 2.436 345 L HA 0.260 4.601 4.340 0.001 0.000 0.265 345 L C 1.258 178.188 176.870 0.100 0.000 1.168 345 L CA -0.324 54.643 54.840 0.212 0.000 0.815 345 L CB 0.628 42.796 42.059 0.181 0.000 1.109 345 L HN 0.158 nan 8.230 nan 0.000 0.462 346 S N -0.013 115.605 115.700 -0.136 0.000 2.596 346 S HA 0.025 4.496 4.470 0.001 0.000 0.260 346 S C 0.570 175.086 174.600 -0.141 0.000 1.336 346 S CA -0.690 57.297 58.200 -0.355 0.000 0.993 346 S CB 0.849 63.680 63.200 -0.615 0.000 0.923 346 S HN 0.593 nan 8.310 nan 0.000 0.567 347 D N 2.191 122.515 120.400 -0.128 0.000 2.106 347 D HA -0.056 4.585 4.640 0.001 0.000 0.191 347 D C -0.500 175.740 176.300 -0.100 0.000 0.997 347 D CA 1.557 55.502 54.000 -0.093 0.000 0.834 347 D CB -1.867 38.877 40.800 -0.093 0.000 0.956 347 D HN 0.554 nan 8.370 nan 0.000 0.448 348 P HA -0.028 nan 4.420 nan 0.000 0.218 348 P C 1.136 178.406 177.300 -0.050 0.000 1.149 348 P CA 1.550 64.598 63.100 -0.086 0.000 0.817 348 P CB 0.004 31.652 31.700 -0.087 0.000 0.785 349 A N 0.361 123.158 122.820 -0.038 0.000 1.929 349 A HA -0.136 4.184 4.320 0.001 0.000 0.216 349 A C 2.497 180.084 177.584 0.005 0.000 1.176 349 A CA 1.197 53.241 52.037 0.013 0.000 0.628 349 A CB -1.194 17.842 19.000 0.060 0.000 0.816 349 A HN 0.025 nan 8.150 nan 0.000 0.444 350 R N -0.120 120.369 120.500 -0.019 0.000 2.117 350 R HA -0.173 4.168 4.340 0.001 0.000 0.243 350 R C 2.144 178.376 176.300 -0.112 0.000 1.143 350 R CA 1.478 57.548 56.100 -0.051 0.000 0.968 350 R CB -0.399 29.874 30.300 -0.045 0.000 0.863 350 R HN 0.442 nan 8.270 nan 0.000 0.444 351 A N 1.067 123.830 122.820 -0.095 0.000 2.024 351 A HA -0.188 4.132 4.320 0.001 0.000 0.220 351 A C 1.112 178.615 177.584 -0.136 0.000 1.164 351 A CA 1.801 53.771 52.037 -0.111 0.000 0.643 351 A CB -0.319 18.635 19.000 -0.076 0.000 0.806 351 A HN 0.760 nan 8.150 nan 0.000 0.451 352 N N -3.195 115.438 118.700 -0.111 0.000 2.142 352 N HA 0.114 4.854 4.740 0.001 0.000 0.233 352 N C -0.663 174.811 175.510 -0.060 0.000 1.335 352 N CA 0.248 53.244 53.050 -0.090 0.000 0.837 352 N CB 0.022 38.501 38.487 -0.013 0.000 1.238 352 N HN -0.030 nan 8.380 nan 0.000 0.501 353 T N 0.480 114.979 114.554 -0.092 0.000 2.812 353 T HA 0.316 4.667 4.350 0.001 0.000 0.282 353 T C -1.129 173.524 174.700 -0.080 0.000 0.990 353 T CA -0.349 61.781 62.100 0.050 0.000 0.960 353 T CB 0.838 69.821 68.868 0.192 0.000 0.948 353 T HN 0.141 nan 8.240 nan 0.000 0.438 354 W N 2.667 124.006 121.300 0.065 0.000 2.345 354 W HA 0.446 5.106 4.660 0.001 0.000 0.308 354 W C -0.044 176.352 176.519 -0.204 0.000 1.273 354 W CA -0.689 56.633 57.345 -0.039 0.000 1.243 354 W CB 0.393 29.846 29.460 -0.012 0.000 1.260 354 W HN 0.324 nan 8.180 nan 0.000 0.509 355 V N 5.541 125.300 119.914 -0.257 0.000 2.479 355 V HA 0.162 4.282 4.120 0.001 0.000 0.281 355 V C 0.274 176.043 176.094 -0.543 0.000 1.031 355 V CA -0.123 61.622 62.300 -0.926 0.000 1.038 355 V CB 0.051 31.553 31.823 -0.534 0.000 0.981 355 V HN 0.624 nan 8.190 nan 0.000 0.478 356 Q N 2.652 122.043 119.800 -0.682 0.000 2.633 356 Q HA 0.402 4.743 4.340 0.001 0.000 0.289 356 Q C -1.418 174.694 176.000 0.186 0.000 0.940 356 Q CA -0.994 54.764 55.803 -0.075 0.000 0.785 356 Q CB 1.801 30.582 28.738 0.071 0.000 1.467 356 Q HN 0.448 nan 8.270 nan 0.000 0.401 357 D N 1.454 121.985 120.400 0.218 0.000 2.435 357 D HA 0.204 4.845 4.640 0.001 0.000 0.230 357 D C 0.360 176.866 176.300 0.343 0.000 1.215 357 D CA -0.096 54.104 54.000 0.333 0.000 0.947 357 D CB 0.305 41.269 40.800 0.273 0.000 1.048 357 D HN 0.621 nan 8.370 nan 0.000 0.512 358 L N 3.065 124.562 121.223 0.456 0.000 2.395 358 L HA 0.024 4.365 4.340 0.001 0.000 0.218 358 L C 1.288 178.259 176.870 0.168 0.000 1.130 358 L CA 0.177 55.167 54.840 0.250 0.000 0.826 358 L CB -0.572 41.547 42.059 0.101 0.000 0.941 358 L HN 0.570 nan 8.230 nan 0.000 0.451 359 N N 0.182 119.054 118.700 0.287 0.000 2.708 359 N HA -0.235 4.506 4.740 0.001 0.000 0.251 359 N C 0.390 175.895 175.510 -0.008 0.000 1.123 359 N CA 0.156 53.238 53.050 0.053 0.000 0.739 359 N CB -0.451 37.984 38.487 -0.086 0.000 1.113 359 N HN 0.243 nan 8.380 nan 0.000 0.561 360 R N 1.026 121.538 120.500 0.019 0.000 2.570 360 R HA 0.017 4.358 4.340 0.001 0.000 0.277 360 R C 0.130 176.384 176.300 -0.076 0.000 1.039 360 R CA 0.153 56.181 56.100 -0.120 0.000 1.065 360 R CB 0.251 30.293 30.300 -0.429 0.000 0.964 360 R HN 0.295 nan 8.270 nan 0.000 0.428 361 N N 0.297 118.905 118.700 -0.153 0.000 2.705 361 N HA -0.243 4.497 4.740 0.001 0.000 0.255 361 N C -1.467 173.850 175.510 -0.322 0.000 1.008 361 N CA 1.445 54.321 53.050 -0.289 0.000 0.742 361 N CB -0.645 37.513 38.487 -0.548 0.000 0.906 361 N HN 0.673 nan 8.380 nan 0.000 0.541 362 A N -0.384 122.325 122.820 -0.185 0.000 2.605 362 A HA 0.511 4.832 4.320 0.001 0.000 0.294 362 A C -0.275 177.230 177.584 -0.132 0.000 1.062 362 A CA -0.819 51.133 52.037 -0.141 0.000 0.682 362 A CB 1.265 20.218 19.000 -0.079 0.000 1.278 362 A HN 0.158 nan 8.150 nan 0.000 0.410 363 E N 0.605 120.758 120.200 -0.079 0.000 2.422 363 E HA 0.261 4.612 4.350 0.001 0.000 0.260 363 E C -0.241 176.298 176.600 -0.102 0.000 1.108 363 E CA 0.139 56.505 56.400 -0.056 0.000 0.943 363 E CB 0.380 30.079 29.700 -0.002 0.000 0.961 363 E HN 0.565 nan 8.360 nan 0.000 0.443 364 T N 2.135 116.652 114.554 -0.061 0.000 2.867 364 T HA 0.005 4.355 4.350 0.001 0.000 0.297 364 T C -0.162 174.550 174.700 0.020 0.000 0.989 364 T CA 0.202 62.263 62.100 -0.064 0.000 1.159 364 T CB -0.119 68.743 68.868 -0.010 0.000 0.928 364 T HN 0.285 nan 8.240 nan 0.000 0.538 365 H N 2.467 121.574 119.070 0.061 0.000 2.732 365 H HA 0.297 4.853 4.556 0.001 0.000 0.351 365 H C 0.338 175.706 175.328 0.066 0.000 1.090 365 H CA -0.598 55.493 56.048 0.072 0.000 1.431 365 H CB 0.622 30.437 29.762 0.088 0.000 1.447 365 H HN 0.140 nan 8.280 nan 0.000 0.582 366 K N 1.469 121.988 120.400 0.198 0.000 2.340 366 K HA 0.483 4.804 4.320 0.001 0.000 0.244 366 K C 0.407 177.078 176.600 0.118 0.000 0.973 366 K CA -0.191 56.175 56.287 0.130 0.000 0.828 366 K CB 2.076 34.637 32.500 0.102 0.000 1.226 366 K HN 0.972 nan 8.250 nan 0.000 0.437 367 G N 0.653 109.514 108.800 0.101 0.000 2.693 367 G HA2 -0.232 3.729 3.960 0.001 0.000 0.226 367 G HA3 -0.232 3.729 3.960 0.001 0.000 0.226 367 G C -0.536 174.413 174.900 0.081 0.000 1.354 367 G CA -0.451 44.709 45.100 0.100 0.000 0.873 367 G HN 0.475 nan 8.290 nan 0.000 0.562 368 S N -0.227 115.520 115.700 0.078 0.000 2.584 368 S HA 0.599 5.070 4.470 0.001 0.000 0.270 368 S C 0.480 175.030 174.600 -0.084 0.000 1.346 368 S CA 0.616 58.802 58.200 -0.024 0.000 1.018 368 S CB 1.180 64.389 63.200 0.016 0.000 0.899 368 S HN 0.935 nan 8.310 nan 0.000 0.542 369 T N 2.690 117.115 114.554 -0.216 0.000 2.807 369 T HA 0.522 4.872 4.350 0.001 0.000 0.279 369 T C -0.852 173.670 174.700 -0.296 0.000 0.993 369 T CA -0.305 61.719 62.100 -0.127 0.000 0.970 369 T CB 0.297 69.148 68.868 -0.029 0.000 0.950 369 T HN 0.349 nan 8.240 nan 0.000 0.441 370 F N 2.750 122.734 119.950 0.057 0.000 2.411 370 F HA 0.586 5.113 4.527 0.001 0.000 0.352 370 F C 0.266 176.120 175.800 0.089 0.000 1.123 370 F CA -1.079 56.960 58.000 0.065 0.000 1.044 370 F CB 0.857 39.875 39.000 0.030 0.000 1.135 370 F HN 0.293 nan 8.300 nan 0.000 0.461 371 I N 5.236 125.961 120.570 0.258 0.000 2.389 371 I HA 0.355 4.526 4.170 0.001 0.000 0.288 371 I C -0.847 175.437 176.117 0.278 0.000 0.999 371 I CA -0.651 60.779 61.300 0.218 0.000 1.129 371 I CB 1.455 39.541 38.000 0.144 0.000 1.288 371 I HN 0.362 nan 8.210 nan 0.000 0.444 372 I N 5.383 126.089 120.570 0.227 0.000 2.355 372 I HA 0.375 4.545 4.170 0.001 0.000 0.288 372 I C 0.909 177.118 176.117 0.154 0.000 0.999 372 I CA -0.119 61.314 61.300 0.221 0.000 1.163 372 I CB 0.994 39.116 38.000 0.202 0.000 1.316 372 I HN 0.611 nan 8.210 nan 0.000 0.454 373 G N 4.680 113.569 108.800 0.149 0.000 2.611 373 G HA2 0.412 4.372 3.960 0.001 0.000 0.273 373 G HA3 0.412 4.372 3.960 0.001 0.000 0.273 373 G C 0.177 175.120 174.900 0.071 0.000 1.305 373 G CA -0.228 44.923 45.100 0.086 0.000 1.010 373 G HN 0.682 nan 8.290 nan 0.000 0.509 374 S N -1.615 114.109 115.700 0.040 0.000 2.745 374 S HA 0.335 4.806 4.470 0.001 0.000 0.292 374 S C 0.125 174.744 174.600 0.031 0.000 1.133 374 S CA -0.606 57.619 58.200 0.040 0.000 0.998 374 S CB 1.905 65.125 63.200 0.034 0.000 1.087 374 S HN 0.366 nan 8.310 nan 0.000 0.551 375 D N 0.799 121.218 120.400 0.031 0.000 2.324 375 D HA 0.266 4.907 4.640 0.001 0.000 0.235 375 D C 0.076 176.383 176.300 0.012 0.000 1.095 375 D CA 0.319 54.334 54.000 0.025 0.000 0.871 375 D CB 0.023 40.840 40.800 0.028 0.000 0.906 375 D HN 0.384 nan 8.370 nan 0.000 0.522 376 S N 0.099 115.801 115.700 0.002 0.000 2.766 376 S HA 0.305 4.775 4.470 0.001 0.000 0.307 376 S C 0.104 174.680 174.600 -0.040 0.000 1.121 376 S CA -0.870 57.322 58.200 -0.014 0.000 0.980 376 S CB 0.980 64.174 63.200 -0.011 0.000 1.159 376 S HN 0.017 nan 8.310 nan 0.000 0.546 377 N N 3.176 121.841 118.700 -0.057 0.000 2.427 377 N HA 0.168 4.908 4.740 0.001 0.000 0.269 377 N C -0.990 174.433 175.510 -0.144 0.000 1.235 377 N CA 0.417 53.409 53.050 -0.096 0.000 0.934 377 N CB -0.202 38.230 38.487 -0.092 0.000 1.121 377 N HN 0.438 nan 8.380 nan 0.000 0.480 378 D N 1.616 121.899 120.400 -0.195 0.000 2.252 378 D HA 0.343 4.984 4.640 0.001 0.000 0.245 378 D C 0.123 176.179 176.300 -0.407 0.000 1.009 378 D CA -0.446 53.400 54.000 -0.256 0.000 0.870 378 D CB 2.007 42.684 40.800 -0.206 0.000 1.251 378 D HN 0.194 nan 8.370 nan 0.000 0.460 379 L N 2.112 123.030 121.223 -0.509 0.000 2.262 379 L HA 0.465 4.805 4.340 0.001 0.000 0.288 379 L C -0.149 176.504 176.870 -0.362 0.000 1.035 379 L CA -0.463 53.877 54.840 -0.833 0.000 0.820 379 L CB 0.691 41.803 42.059 -1.579 0.000 1.204 379 L HN 0.156 nan 8.230 nan 0.000 0.424 380 I N 3.514 124.024 120.570 -0.099 0.000 2.389 380 I HA 0.265 4.435 4.170 0.001 0.000 0.288 380 I C -0.345 175.991 176.117 0.364 0.000 0.999 380 I CA -0.527 60.827 61.300 0.091 0.000 1.129 380 I CB 2.053 40.040 38.000 -0.022 0.000 1.288 380 I HN 0.529 nan 8.210 nan 0.000 0.444 381 Q N 5.539 125.511 119.800 0.287 0.000 2.381 381 Q HA 0.524 4.865 4.340 0.001 0.000 0.263 381 Q C -0.322 175.731 176.000 0.089 0.000 1.030 381 Q CA -0.448 55.455 55.803 0.166 0.000 0.772 381 Q CB 1.764 30.546 28.738 0.074 0.000 1.232 381 Q HN 0.758 nan 8.270 nan 0.000 0.476 382 G N 2.008 110.855 108.800 0.079 0.000 2.527 382 G HA2 0.468 4.429 3.960 0.001 0.000 0.248 382 G HA3 0.468 4.429 3.960 0.001 0.000 0.248 382 G C 0.141 175.043 174.900 0.004 0.000 1.231 382 G CA -0.126 44.993 45.100 0.032 0.000 0.838 382 G HN 0.730 nan 8.290 nan 0.000 0.570 383 G N -0.781 108.019 108.800 0.000 0.000 2.563 383 G HA2 0.372 4.333 3.960 0.001 0.000 0.283 383 G HA3 0.372 4.333 3.960 0.001 0.000 0.283 383 G C 1.308 176.198 174.900 -0.017 0.000 1.309 383 G CA 0.507 45.609 45.100 0.003 0.000 1.022 383 G HN 1.095 nan 8.290 nan 0.000 0.501 384 S N -1.212 114.483 115.700 -0.009 0.000 2.561 384 S HA 0.180 4.650 4.470 0.001 0.000 0.225 384 S C 1.363 175.955 174.600 -0.013 0.000 0.977 384 S CA 0.482 58.671 58.200 -0.017 0.000 0.926 384 S CB -0.120 63.074 63.200 -0.010 0.000 0.769 384 S HN 0.850 nan 8.310 nan 0.000 0.533 385 G N 1.684 110.481 108.800 -0.004 0.000 2.666 385 G HA2 0.379 4.340 3.960 0.001 0.000 0.207 385 G HA3 0.379 4.340 3.960 0.001 0.000 0.207 385 G C -0.496 174.385 174.900 -0.032 0.000 1.481 385 G CA -0.884 44.220 45.100 0.005 0.000 1.071 385 G HN 0.371 nan 8.290 nan 0.000 0.572 386 N N 1.236 119.910 118.700 -0.044 0.000 2.434 386 N HA 0.382 5.122 4.740 0.001 0.000 0.272 386 N C -1.463 173.860 175.510 -0.311 0.000 1.040 386 N CA -0.048 52.916 53.050 -0.143 0.000 0.956 386 N CB 1.677 40.112 38.487 -0.086 0.000 1.108 386 N HN 0.338 nan 8.380 nan 0.000 0.481 387 D N 0.663 120.785 120.400 -0.465 0.000 2.575 387 D HA 0.338 4.978 4.640 0.001 0.000 0.236 387 D C -0.978 174.783 176.300 -0.899 0.000 1.075 387 D CA -0.319 53.374 54.000 -0.512 0.000 0.860 387 D CB 1.234 41.886 40.800 -0.246 0.000 1.475 387 D HN 0.344 nan 8.370 nan 0.000 0.474 388 Y N 1.116 121.068 120.300 -0.579 0.000 2.388 388 Y HA 0.411 4.962 4.550 0.001 0.000 0.328 388 Y C -0.526 175.178 175.900 -0.326 0.000 0.963 388 Y CA -0.858 56.731 58.100 -0.852 0.000 1.240 388 Y CB 0.871 38.276 38.460 -1.758 0.000 1.118 388 Y HN 0.092 nan 8.280 nan 0.000 0.484 389 L N 3.723 125.020 121.223 0.123 0.000 2.287 389 L HA 0.515 4.855 4.340 0.001 0.000 0.287 389 L C -0.228 176.971 176.870 0.549 0.000 1.022 389 L CA -0.551 54.493 54.840 0.339 0.000 0.814 389 L CB 1.788 44.001 42.059 0.256 0.000 1.217 389 L HN 0.588 nan 8.230 nan 0.000 0.420 390 E N 1.653 122.196 120.200 0.571 0.000 2.185 390 E HA 0.317 4.668 4.350 0.001 0.000 0.261 390 E C 0.626 177.455 176.600 0.381 0.000 0.879 390 E CA -0.355 56.292 56.400 0.410 0.000 0.756 390 E CB 1.886 31.756 29.700 0.284 0.000 1.152 390 E HN 0.729 nan 8.360 nan 0.000 0.416 391 G N 3.976 113.049 108.800 0.455 0.000 2.403 391 G HA2 -0.132 3.828 3.960 0.001 0.000 0.216 391 G HA3 -0.132 3.828 3.960 0.001 0.000 0.216 391 G C 0.500 175.494 174.900 0.157 0.000 1.154 391 G CA 0.542 45.853 45.100 0.352 0.000 0.784 391 G HN 0.739 nan 8.290 nan 0.000 0.538 392 R N -0.887 119.688 120.500 0.126 0.000 3.819 392 R HA -0.164 4.177 4.340 0.001 0.000 0.488 392 R C 0.808 177.143 176.300 0.059 0.000 0.241 392 R CA 0.297 56.439 56.100 0.071 0.000 1.530 392 R CB -1.607 28.729 30.300 0.061 0.000 1.019 392 R HN 0.721 nan 8.270 nan 0.000 0.557 393 A N 0.495 123.338 122.820 0.039 0.000 2.409 393 A HA 0.475 4.796 4.320 0.001 0.000 0.246 393 A C 0.899 178.494 177.584 0.019 0.000 1.099 393 A CA 0.831 52.885 52.037 0.028 0.000 0.789 393 A CB -0.391 18.622 19.000 0.022 0.000 1.053 393 A HN 1.725 nan 8.150 nan 0.000 0.503 394 G N 0.054 108.861 108.800 0.011 0.000 2.699 394 G HA2 -0.077 3.883 3.960 0.001 0.000 0.686 394 G HA3 -0.077 3.883 3.960 0.001 0.000 0.686 394 G C -0.724 174.172 174.900 -0.007 0.000 1.301 394 G CA -0.339 44.758 45.100 -0.005 0.000 0.816 394 G HN 1.047 nan 8.290 nan 0.000 0.595 395 N N 2.091 120.778 118.700 -0.022 0.000 2.415 395 N HA 0.324 5.065 4.740 0.001 0.000 0.250 395 N C -0.500 174.969 175.510 -0.067 0.000 1.127 395 N CA -0.045 52.991 53.050 -0.023 0.000 0.945 395 N CB 0.719 39.193 38.487 -0.021 0.000 1.196 395 N HN 0.505 nan 8.380 nan 0.000 0.499 396 D N 0.804 121.162 120.400 -0.069 0.000 2.193 396 D HA 0.322 4.962 4.640 0.001 0.000 0.249 396 D C -0.033 176.109 176.300 -0.264 0.000 1.034 396 D CA 0.021 53.878 54.000 -0.239 0.000 0.902 396 D CB 1.547 42.141 40.800 -0.344 0.000 1.182 396 D HN 0.181 nan 8.370 nan 0.000 0.436 397 T N 1.574 115.889 114.554 -0.400 0.000 2.792 397 T HA 0.445 4.796 4.350 0.001 0.000 0.280 397 T C -0.360 174.187 174.700 -0.255 0.000 0.990 397 T CA -0.534 61.454 62.100 -0.186 0.000 0.960 397 T CB 0.400 69.228 68.868 -0.066 0.000 0.939 397 T HN 0.088 nan 8.240 nan 0.000 0.439 398 F N 2.018 122.088 119.950 0.200 0.000 2.450 398 F HA 0.688 5.216 4.527 0.001 0.000 0.332 398 F C 0.938 176.857 175.800 0.199 0.000 1.093 398 F CA -1.089 57.043 58.000 0.219 0.000 1.003 398 F CB 1.511 40.576 39.000 0.109 0.000 1.151 398 F HN 0.209 nan 8.300 nan 0.000 0.474 399 R N 0.702 121.386 120.500 0.306 0.000 2.854 399 R HA 0.613 4.954 4.340 0.001 0.000 0.271 399 R C -1.880 174.453 176.300 0.054 0.000 0.994 399 R CA -1.144 54.984 56.100 0.047 0.000 0.945 399 R CB 2.489 32.628 30.300 -0.269 0.000 1.194 399 R HN 0.721 nan 8.270 nan 0.000 0.476 400 D N -0.958 119.440 120.400 -0.003 0.000 2.886 400 D HA 0.237 4.878 4.640 0.001 0.000 0.216 400 D C 0.127 176.411 176.300 -0.026 0.000 1.256 400 D CA -0.388 53.606 54.000 -0.010 0.000 0.844 400 D CB 1.598 42.390 40.800 -0.014 0.000 1.669 400 D HN 0.553 nan 8.370 nan 0.000 0.513 401 G N 1.531 110.312 108.800 -0.033 0.000 2.880 401 G HA2 0.520 4.480 3.960 0.001 0.000 0.209 401 G HA3 0.520 4.480 3.960 0.001 0.000 0.209 401 G C 0.786 175.667 174.900 -0.030 0.000 1.157 401 G CA 0.470 45.551 45.100 -0.030 0.000 0.779 401 G HN 0.861 nan 8.290 nan 0.000 0.539 402 G N -2.356 106.416 108.800 -0.046 0.000 2.340 402 G HA2 0.510 4.470 3.960 0.001 0.000 0.282 402 G HA3 0.510 4.470 3.960 0.001 0.000 0.282 402 G C 0.398 175.227 174.900 -0.119 0.000 1.312 402 G CA 0.341 45.396 45.100 -0.075 0.000 0.942 402 G HN 1.776 nan 8.290 nan 0.000 0.495 403 G N -1.327 107.364 108.800 -0.181 0.000 2.562 403 G HA2 0.150 4.110 3.960 0.001 0.000 0.250 403 G HA3 0.150 4.110 3.960 0.001 0.000 0.250 403 G C -0.429 174.212 174.900 -0.431 0.000 1.269 403 G CA 0.501 45.472 45.100 -0.215 0.000 0.919 403 G HN 1.727 nan 8.290 nan 0.000 0.574 404 Y N 1.918 122.163 120.300 -0.092 0.000 2.328 404 Y HA 0.623 5.174 4.550 0.001 0.000 0.336 404 Y C 0.537 176.296 175.900 -0.235 0.000 0.960 404 Y CA -0.826 57.208 58.100 -0.111 0.000 1.134 404 Y CB 1.936 40.354 38.460 -0.071 0.000 1.166 404 Y HN 0.595 nan 8.280 nan 0.000 0.464 405 N N 1.794 120.415 118.700 -0.132 0.000 2.284 405 N HA 0.559 5.299 4.740 0.001 0.000 0.289 405 N C -1.746 173.623 175.510 -0.235 0.000 1.179 405 N CA -0.731 52.137 53.050 -0.303 0.000 0.774 405 N CB 2.858 41.209 38.487 -0.226 0.000 1.548 405 N HN 0.220 nan 8.380 nan 0.000 0.473 406 V N 1.868 121.595 119.914 -0.313 0.000 2.409 406 V HA 0.515 4.636 4.120 0.001 0.000 0.291 406 V C -0.059 176.051 176.094 0.027 0.000 1.020 406 V CA -0.638 61.648 62.300 -0.024 0.000 0.848 406 V CB 1.296 33.289 31.823 0.283 0.000 0.990 406 V HN 0.525 nan 8.190 nan 0.000 0.430 407 I N 6.163 126.702 120.570 -0.052 0.000 2.390 407 I HA 0.427 4.597 4.170 0.001 0.000 0.283 407 I C -0.682 175.297 176.117 -0.230 0.000 1.016 407 I CA -0.344 60.812 61.300 -0.241 0.000 1.151 407 I CB 1.369 39.095 38.000 -0.456 0.000 1.293 407 I HN 0.357 nan 8.210 nan 0.000 0.458 408 L N 5.770 126.921 121.223 -0.120 0.000 2.272 408 L HA 0.392 4.732 4.340 0.001 0.000 0.284 408 L C 1.546 178.377 176.870 -0.066 0.000 1.045 408 L CA -0.299 54.487 54.840 -0.091 0.000 0.842 408 L CB 1.461 43.464 42.059 -0.094 0.000 1.224 408 L HN 0.775 nan 8.230 nan 0.000 0.430 409 G N 2.279 111.040 108.800 -0.065 0.000 2.469 409 G HA2 0.109 4.069 3.960 0.001 0.000 0.220 409 G HA3 0.109 4.069 3.960 0.001 0.000 0.220 409 G C 0.889 175.886 174.900 0.163 0.000 1.136 409 G CA 0.681 45.870 45.100 0.149 0.000 0.759 409 G HN 0.930 nan 8.290 nan 0.000 0.562 410 G N -0.663 108.178 108.800 0.068 0.000 2.698 410 G HA2 0.263 4.223 3.960 0.001 0.000 0.233 410 G HA3 0.263 4.223 3.960 0.001 0.000 0.233 410 G C 0.481 175.407 174.900 0.043 0.000 1.352 410 G CA 0.273 45.401 45.100 0.048 0.000 0.879 410 G HN 1.549 nan 8.290 nan 0.000 0.567 411 A N -0.517 122.323 122.820 0.032 0.000 2.521 411 A HA 0.732 5.053 4.320 0.001 0.000 0.237 411 A C 1.982 179.587 177.584 0.034 0.000 1.087 411 A CA 2.436 54.489 52.037 0.026 0.000 0.777 411 A CB -0.448 18.564 19.000 0.020 0.000 1.035 411 A HN 3.054 nan 8.150 nan 0.000 0.510 412 G N 0.337 109.152 108.800 0.026 0.000 2.685 412 G HA2 -0.120 3.841 3.960 0.001 0.000 0.387 412 G HA3 -0.120 3.841 3.960 0.001 0.000 0.387 412 G C -0.624 174.295 174.900 0.031 0.000 1.324 412 G CA -0.225 44.890 45.100 0.025 0.000 0.878 412 G HN 1.073 nan 8.290 nan 0.000 0.527 413 N N 2.211 120.927 118.700 0.027 0.000 2.527 413 N HA 0.294 5.034 4.740 0.001 0.000 0.236 413 N C -0.358 175.180 175.510 0.047 0.000 0.999 413 N CA -0.397 52.672 53.050 0.031 0.000 0.935 413 N CB 0.559 39.057 38.487 0.019 0.000 1.132 413 N HN 0.518 nan 8.380 nan 0.000 0.511 414 N N 0.680 119.427 118.700 0.079 0.000 2.443 414 N HA 0.472 5.212 4.740 0.001 0.000 0.293 414 N C -0.438 175.159 175.510 0.144 0.000 1.159 414 N CA -0.083 53.050 53.050 0.138 0.000 0.904 414 N CB 1.838 40.468 38.487 0.238 0.000 1.214 414 N HN 0.185 nan 8.380 nan 0.000 0.513 415 T N 1.015 115.689 114.554 0.201 0.000 2.971 415 T HA 0.300 4.651 4.350 0.001 0.000 0.304 415 T C -1.059 173.797 174.700 0.260 0.000 1.038 415 T CA -0.496 61.703 62.100 0.166 0.000 1.007 415 T CB 1.523 70.457 68.868 0.109 0.000 1.055 415 T HN 0.260 nan 8.240 nan 0.000 0.451 416 L N 3.525 124.857 121.223 0.182 0.000 2.280 416 L HA 0.657 4.998 4.340 0.001 0.000 0.287 416 L C -0.761 176.168 176.870 0.097 0.000 1.023 416 L CA -0.450 54.492 54.840 0.170 0.000 0.819 416 L CB 1.109 43.209 42.059 0.068 0.000 1.212 416 L HN 0.517 nan 8.230 nan 0.000 0.420 417 D N 4.414 124.886 120.400 0.121 0.000 2.443 417 D HA 0.213 4.853 4.640 0.001 0.000 0.221 417 D C 0.837 177.143 176.300 0.010 0.000 1.097 417 D CA -0.114 53.931 54.000 0.074 0.000 0.865 417 D CB 0.701 41.572 40.800 0.120 0.000 1.034 417 D HN 0.656 nan 8.370 nan 0.000 0.511 418 L N 2.721 123.919 121.223 -0.043 0.000 2.313 418 L HA -0.034 4.306 4.340 0.001 0.000 0.214 418 L C 1.202 178.117 176.870 0.075 0.000 1.119 418 L CA 0.272 55.068 54.840 -0.072 0.000 0.809 418 L CB -0.424 41.407 42.059 -0.380 0.000 0.933 418 L HN 0.555 nan 8.230 nan 0.000 0.449 419 Q N -0.727 119.112 119.800 0.064 0.000 2.452 419 Q HA -0.226 4.115 4.340 0.001 0.000 0.248 419 Q C -0.266 175.797 176.000 0.105 0.000 0.874 419 Q CA 1.153 56.994 55.803 0.062 0.000 1.208 419 Q CB -1.253 27.489 28.738 0.007 0.000 1.569 419 Q HN 0.524 nan 8.270 nan 0.000 0.579 420 K N -0.617 119.894 120.400 0.186 0.000 2.499 420 K HA 0.500 4.821 4.320 0.001 0.000 0.277 420 K C -0.735 176.021 176.600 0.260 0.000 1.025 420 K CA -0.590 55.819 56.287 0.204 0.000 0.900 420 K CB 1.842 34.484 32.500 0.236 0.000 1.494 420 K HN -0.011 nan 8.250 nan 0.000 0.442 421 S N 0.361 116.175 115.700 0.189 0.000 2.549 421 S HA -0.010 4.461 4.470 0.001 0.000 0.283 421 S C 1.195 175.987 174.600 0.320 0.000 1.320 421 S CA -0.294 58.022 58.200 0.193 0.000 1.058 421 S CB 0.972 64.236 63.200 0.107 0.000 0.882 421 S HN 0.472 nan 8.310 nan 0.000 0.498 422 V N 5.170 125.267 119.914 0.305 0.000 2.546 422 V HA -0.212 3.908 4.120 0.001 0.000 0.254 422 V C 1.621 177.934 176.094 0.364 0.000 1.076 422 V CA 2.659 65.179 62.300 0.366 0.000 1.087 422 V CB -0.965 30.963 31.823 0.174 0.000 0.674 422 V HN 0.938 nan 8.190 nan 0.000 0.470 423 N N -0.205 118.618 118.700 0.206 0.000 2.512 423 N HA -0.092 4.649 4.740 0.001 0.000 0.183 423 N C 1.427 176.960 175.510 0.039 0.000 1.073 423 N CA 1.259 54.381 53.050 0.120 0.000 0.911 423 N CB -0.094 38.434 38.487 0.068 0.000 0.964 423 N HN 0.704 nan 8.380 nan 0.000 0.447 424 T N -2.333 112.198 114.554 -0.039 0.000 3.144 424 T HA 0.198 4.549 4.350 0.001 0.000 0.249 424 T C -0.004 174.356 174.700 -0.566 0.000 1.089 424 T CA -0.094 61.817 62.100 -0.315 0.000 0.989 424 T CB -0.292 68.308 68.868 -0.447 0.000 0.992 424 T HN -0.092 nan 8.240 nan 0.000 0.540 425 F N 0.869 120.777 119.950 -0.071 0.000 2.593 425 F HA 0.636 5.163 4.527 0.001 0.000 0.320 425 F C -0.442 175.184 175.800 -0.289 0.000 1.060 425 F CA -1.501 56.340 58.000 -0.266 0.000 0.940 425 F CB 1.589 40.269 39.000 -0.532 0.000 1.268 425 F HN -0.101 nan 8.300 nan 0.000 0.475 426 D N 1.211 121.498 120.400 -0.188 0.000 2.248 426 D HA 0.465 5.106 4.640 0.001 0.000 0.246 426 D C -1.127 174.921 176.300 -0.420 0.000 1.027 426 D CA -0.089 53.827 54.000 -0.141 0.000 0.853 426 D CB 1.802 42.619 40.800 0.029 0.000 1.243 426 D HN 0.142 nan 8.370 nan 0.000 0.462 427 F N 0.660 120.615 119.950 0.008 0.000 2.532 427 F HA 0.695 5.222 4.527 0.001 0.000 0.321 427 F C 0.289 175.976 175.800 -0.188 0.000 1.089 427 F CA -0.839 57.150 58.000 -0.020 0.000 0.926 427 F CB 2.023 41.118 39.000 0.158 0.000 1.168 427 F HN 0.294 nan 8.300 nan 0.000 0.459 428 A N 2.488 125.127 122.820 -0.301 0.000 2.515 428 A HA 0.708 5.028 4.320 0.001 0.000 0.298 428 A C -1.705 175.568 177.584 -0.518 0.000 1.059 428 A CA -0.677 50.993 52.037 -0.612 0.000 0.698 428 A CB 1.985 20.158 19.000 -1.378 0.000 1.289 428 A HN 0.673 nan 8.150 nan 0.000 0.404 429 N N 0.588 118.883 118.700 -0.676 0.000 2.310 429 N HA 0.267 5.007 4.740 0.001 0.000 0.292 429 N C -1.048 174.053 175.510 -0.683 0.000 1.049 429 N CA -0.206 52.448 53.050 -0.660 0.000 0.849 429 N CB 2.185 40.054 38.487 -1.030 0.000 1.532 429 N HN 0.680 nan 8.380 nan 0.000 0.479 430 D N 1.776 121.714 120.400 -0.770 0.000 2.339 430 D HA 0.171 4.812 4.640 0.001 0.000 0.217 430 D C 1.171 177.221 176.300 -0.417 0.000 1.050 430 D CA 0.652 54.002 54.000 -1.083 0.000 0.856 430 D CB -0.199 39.980 40.800 -1.035 0.000 0.922 430 D HN 0.829 nan 8.370 nan 0.000 0.518 431 G N -0.006 108.628 108.800 -0.277 0.000 2.184 431 G HA2 -0.247 3.713 3.960 0.001 0.000 0.264 431 G HA3 -0.247 3.713 3.960 0.001 0.000 0.264 431 G C 0.830 175.671 174.900 -0.098 0.000 0.975 431 G CA 0.313 45.333 45.100 -0.134 0.000 0.642 431 G HN 0.947 nan 8.290 nan 0.000 0.536 432 A N -0.454 122.294 122.820 -0.121 0.000 2.637 432 A HA 0.709 5.029 4.320 0.001 0.000 0.293 432 A C 1.974 179.510 177.584 -0.080 0.000 1.216 432 A CA 1.362 53.356 52.037 -0.072 0.000 0.956 432 A CB -0.303 18.673 19.000 -0.040 0.000 1.174 432 A HN 2.306 nan 8.150 nan 0.000 0.525 433 G N -0.145 108.592 108.800 -0.106 0.000 2.179 433 G HA2 -0.200 3.760 3.960 0.001 0.000 0.220 433 G HA3 -0.200 3.760 3.960 0.001 0.000 0.220 433 G C -0.262 174.546 174.900 -0.154 0.000 0.990 433 G CA -0.080 44.959 45.100 -0.102 0.000 0.646 433 G HN 0.463 nan 8.290 nan 0.000 0.517 434 N N 0.555 119.125 118.700 -0.216 0.000 2.437 434 N HA 0.495 5.235 4.740 0.001 0.000 0.259 434 N C -0.778 174.456 175.510 -0.461 0.000 0.983 434 N CA -0.308 52.514 53.050 -0.381 0.000 0.937 434 N CB 2.113 40.303 38.487 -0.494 0.000 1.122 434 N HN 0.301 nan 8.380 nan 0.000 0.499 435 L N 3.961 124.941 121.223 -0.406 0.000 2.257 435 L HA 0.379 4.720 4.340 0.001 0.000 0.290 435 L C -1.230 175.428 176.870 -0.353 0.000 1.044 435 L CA -0.514 54.147 54.840 -0.298 0.000 0.810 435 L CB -0.040 41.941 42.059 -0.130 0.000 1.193 435 L HN 0.342 nan 8.230 nan 0.000 0.425 436 Y N 4.262 124.476 120.300 -0.144 0.000 2.320 436 Y HA 0.557 5.108 4.550 0.001 0.000 0.334 436 Y C 0.006 175.826 175.900 -0.132 0.000 1.055 436 Y CA -0.733 57.315 58.100 -0.086 0.000 1.143 436 Y CB 1.442 39.871 38.460 -0.052 0.000 1.193 436 Y HN 0.269 nan 8.280 nan 0.000 0.477 437 V N 4.968 124.890 119.914 0.012 0.000 2.378 437 V HA 0.457 4.577 4.120 0.001 0.000 0.288 437 V C -0.383 175.673 176.094 -0.064 0.000 1.016 437 V CA -1.042 61.153 62.300 -0.174 0.000 0.840 437 V CB 1.396 33.093 31.823 -0.210 0.000 0.994 437 V HN 0.707 nan 8.190 nan 0.000 0.431 438 R N 3.287 123.740 120.500 -0.078 0.000 2.343 438 R HA 0.483 4.823 4.340 0.001 0.000 0.320 438 R C -0.534 175.786 176.300 0.034 0.000 0.956 438 R CA -0.560 55.562 56.100 0.037 0.000 0.836 438 R CB 1.239 31.633 30.300 0.157 0.000 1.151 438 R HN 0.927 nan 8.270 nan 0.000 0.450 439 D N 3.360 123.775 120.400 0.024 0.000 2.411 439 D HA 0.122 4.763 4.640 0.001 0.000 0.251 439 D C 0.858 177.035 176.300 -0.206 0.000 1.201 439 D CA -0.303 53.643 54.000 -0.089 0.000 0.996 439 D CB 0.861 41.641 40.800 -0.033 0.000 1.101 439 D HN 0.434 nan 8.370 nan 0.000 0.504 440 A N 0.313 122.931 122.820 -0.337 0.000 2.125 440 A HA -0.177 4.143 4.320 0.001 0.000 0.219 440 A C 1.363 178.858 177.584 -0.149 0.000 1.156 440 A CA 1.005 52.899 52.037 -0.239 0.000 0.671 440 A CB -0.677 18.159 19.000 -0.273 0.000 0.794 440 A HN 0.547 nan 8.150 nan 0.000 0.459 441 N N -1.253 117.363 118.700 -0.140 0.000 2.280 441 N HA 0.221 4.961 4.740 0.001 0.000 0.192 441 N C 1.111 176.574 175.510 -0.078 0.000 1.109 441 N CA 0.966 53.958 53.050 -0.095 0.000 0.855 441 N CB 0.654 39.086 38.487 -0.091 0.000 0.974 441 N HN 0.587 nan 8.380 nan 0.000 0.482 442 G N -0.409 108.338 108.800 -0.088 0.000 2.175 442 G HA2 -0.214 3.747 3.960 0.001 0.000 0.244 442 G HA3 -0.214 3.747 3.960 0.001 0.000 0.244 442 G C 0.505 175.312 174.900 -0.154 0.000 0.982 442 G CA -0.082 44.986 45.100 -0.053 0.000 0.641 442 G HN 0.576 nan 8.290 nan 0.000 0.527 443 G N -0.007 108.580 108.800 -0.355 0.000 2.398 443 G HA2 0.501 4.462 3.960 0.001 0.000 0.246 443 G HA3 0.501 4.462 3.960 0.001 0.000 0.246 443 G C 0.019 174.649 174.900 -0.450 0.000 1.289 443 G CA -0.127 44.475 45.100 -0.828 0.000 0.869 443 G HN 0.683 nan 8.290 nan 0.000 0.543 444 I N 1.494 121.811 120.570 -0.422 0.000 2.362 444 I HA 0.199 4.369 4.170 0.001 0.000 0.289 444 I C 0.050 176.172 176.117 0.008 0.000 0.994 444 I CA -0.429 60.872 61.300 0.002 0.000 1.158 444 I CB 1.949 40.093 38.000 0.240 0.000 1.315 444 I HN 0.286 nan 8.210 nan 0.000 0.451 445 S N 6.984 122.680 115.700 -0.006 0.000 2.457 445 S HA 0.560 5.030 4.470 0.001 0.000 0.289 445 S C -0.149 174.439 174.600 -0.019 0.000 1.163 445 S CA -0.521 57.657 58.200 -0.037 0.000 1.078 445 S CB 0.990 64.134 63.200 -0.093 0.000 0.987 445 S HN 0.344 nan 8.310 nan 0.000 0.482 446 I N 3.528 124.071 120.570 -0.046 0.000 2.315 446 I HA 0.296 4.467 4.170 0.001 0.000 0.291 446 I C 0.643 176.648 176.117 -0.187 0.000 1.006 446 I CA -0.301 60.889 61.300 -0.184 0.000 1.265 446 I CB 1.074 39.013 38.000 -0.102 0.000 1.387 446 I HN 0.567 nan 8.210 nan 0.000 0.475 447 T N 3.996 118.395 114.554 -0.259 0.000 2.856 447 T HA 0.670 5.021 4.350 0.001 0.000 0.283 447 T C -0.328 174.253 174.700 -0.199 0.000 1.008 447 T CA -0.958 61.021 62.100 -0.203 0.000 0.997 447 T CB 1.758 70.520 68.868 -0.178 0.000 0.992 447 T HN 0.550 nan 8.240 nan 0.000 0.454 448 R N 1.687 122.098 120.500 -0.148 0.000 2.750 448 R HA 0.450 4.790 4.340 0.001 0.000 0.281 448 R C -0.773 175.478 176.300 -0.083 0.000 0.972 448 R CA -0.887 55.145 56.100 -0.114 0.000 0.912 448 R CB 1.248 31.495 30.300 -0.088 0.000 1.187 448 R HN 0.833 nan 8.270 nan 0.000 0.464 449 D N 1.222 121.589 120.400 -0.055 0.000 2.837 449 D HA -0.189 4.452 4.640 0.001 0.000 0.230 449 D C -0.550 175.753 176.300 0.005 0.000 1.152 449 D CA 1.185 55.173 54.000 -0.019 0.000 0.736 449 D CB -0.844 39.953 40.800 -0.005 0.000 1.084 449 D HN 0.402 nan 8.370 nan 0.000 0.429 450 I N 0.257 120.819 120.570 -0.013 0.000 2.390 450 I HA 0.321 4.492 4.170 0.001 0.000 0.283 450 I C 1.592 177.717 176.117 0.012 0.000 1.016 450 I CA -0.271 61.040 61.300 0.019 0.000 1.151 450 I CB 1.833 39.831 38.000 -0.002 0.000 1.293 450 I HN -0.012 nan 8.210 nan 0.000 0.458 451 G N 3.442 112.258 108.800 0.026 0.000 2.939 451 G HA2 0.097 4.057 3.960 0.001 0.000 0.210 451 G HA3 0.097 4.057 3.960 0.001 0.000 0.210 451 G C 0.355 175.266 174.900 0.018 0.000 1.160 451 G CA 0.124 45.234 45.100 0.016 0.000 0.770 451 G HN 0.501 nan 8.290 nan 0.000 0.543 452 S N 0.437 116.156 115.700 0.032 0.000 2.532 452 S HA 0.625 5.095 4.470 0.001 0.000 0.299 452 S C -1.035 173.588 174.600 0.040 0.000 1.105 452 S CA -0.546 57.676 58.200 0.037 0.000 1.018 452 S CB 2.081 65.308 63.200 0.045 0.000 1.021 452 S HN 0.004 nan 8.310 nan 0.000 0.483 453 I N 2.900 123.485 120.570 0.025 0.000 2.404 453 I HA 0.474 4.644 4.170 0.001 0.000 0.293 453 I C -0.348 175.813 176.117 0.074 0.000 0.992 453 I CA -0.877 60.418 61.300 -0.009 0.000 1.149 453 I CB 1.417 39.317 38.000 -0.167 0.000 1.315 453 I HN 0.302 nan 8.210 nan 0.000 0.446 454 V N 5.458 125.410 119.914 0.064 0.000 2.435 454 V HA 0.622 4.742 4.120 0.001 0.000 0.290 454 V C 0.373 176.518 176.094 0.085 0.000 1.030 454 V CA -0.372 61.993 62.300 0.108 0.000 0.881 454 V CB 1.923 33.802 31.823 0.094 0.000 0.983 454 V HN 0.966 nan 8.190 nan 0.000 0.445 455 T N 1.687 116.335 114.554 0.156 0.000 2.916 455 T HA 0.642 4.992 4.350 0.001 0.000 0.292 455 T C -0.738 174.046 174.700 0.141 0.000 1.064 455 T CA -1.019 61.172 62.100 0.151 0.000 1.011 455 T CB 2.036 71.020 68.868 0.195 0.000 1.152 455 T HN 0.426 nan 8.240 nan 0.000 0.510 456 K N 1.381 121.858 120.400 0.129 0.000 2.263 456 K HA 0.374 4.695 4.320 0.001 0.000 0.272 456 K C -0.719 175.938 176.600 0.095 0.000 1.033 456 K CA -0.586 55.759 56.287 0.096 0.000 0.884 456 K CB 0.727 33.272 32.500 0.076 0.000 1.107 456 K HN 0.487 nan 8.250 nan 0.000 0.460 457 E N 4.409 124.654 120.200 0.076 0.000 2.256 457 E HA 0.239 4.589 4.350 0.001 0.000 0.243 457 E C -2.360 174.264 176.600 0.041 0.000 0.925 457 E CA -2.089 54.350 56.400 0.064 0.000 0.748 457 E CB 0.866 30.603 29.700 0.062 0.000 1.206 457 E HN 0.432 nan 8.360 nan 0.000 0.428 468 D N 1.061 121.483 120.400 0.037 0.000 2.308 468 D HA 0.306 4.947 4.640 0.001 0.000 0.251 468 D C 0.224 176.543 176.300 0.032 0.000 1.127 468 D CA 0.126 54.154 54.000 0.047 0.000 0.876 468 D CB 2.293 43.122 40.800 0.048 0.000 1.176 468 D HN -0.177 nan 8.370 nan 0.000 0.446 469 V N 2.310 122.252 119.914 0.046 0.000 2.588 469 V HA 0.330 4.451 4.120 0.001 0.000 0.304 469 V C 0.103 176.207 176.094 0.017 0.000 1.042 469 V CA -0.703 61.589 62.300 -0.013 0.000 0.877 469 V CB 2.269 34.063 31.823 -0.049 0.000 0.996 469 V HN 0.470 nan 8.190 nan 0.000 0.425 470 T N 4.018 118.543 114.554 -0.049 0.000 2.749 470 T HA 0.526 4.877 4.350 0.001 0.000 0.287 470 T C -0.680 173.975 174.700 -0.074 0.000 0.970 470 T CA -0.303 61.805 62.100 0.013 0.000 0.980 470 T CB 0.250 69.122 68.868 0.006 0.000 0.924 470 T HN 0.681 nan 8.240 nan 0.000 0.456 471 H N 0.654 119.683 119.070 -0.069 0.000 2.459 471 H HA 0.500 5.056 4.556 0.001 0.000 0.332 471 H C 0.130 175.402 175.328 -0.095 0.000 1.094 471 H CA -0.572 55.411 56.048 -0.107 0.000 1.224 471 H CB 0.846 30.499 29.762 -0.182 0.000 1.449 471 H HN 0.424 nan 8.280 nan 0.000 0.484 472 S N 1.948 117.657 115.700 0.016 0.000 2.528 472 S HA 0.187 4.657 4.470 0.001 0.000 0.277 472 S C 0.116 174.703 174.600 -0.022 0.000 1.297 472 S CA -0.801 57.395 58.200 -0.007 0.000 1.052 472 S CB 0.603 63.790 63.200 -0.023 0.000 0.917 472 S HN 0.333 nan 8.310 nan 0.000 0.492 473 V N 4.604 124.511 119.914 -0.010 0.000 2.408 473 V HA 0.436 4.557 4.120 0.001 0.000 0.267 473 V C 0.779 176.887 176.094 0.024 0.000 1.047 473 V CA -0.269 62.035 62.300 0.008 0.000 0.937 473 V CB 0.365 32.201 31.823 0.021 0.000 0.999 473 V HN 1.061 nan 8.190 nan 0.000 0.472 474 T N 1.868 116.442 114.554 0.034 0.000 2.864 474 T HA 0.684 5.034 4.350 0.001 0.000 0.289 474 T C 0.989 175.758 174.700 0.115 0.000 1.082 474 T CA -0.055 62.065 62.100 0.033 0.000 1.009 474 T CB 2.061 70.915 68.868 -0.023 0.000 1.234 474 T HN 0.530 nan 8.240 nan 0.000 0.526 475 A N 0.847 123.720 122.820 0.088 0.000 2.015 475 A HA 0.067 4.388 4.320 0.001 0.000 0.219 475 A C 2.268 179.947 177.584 0.159 0.000 1.163 475 A CA 1.805 53.924 52.037 0.136 0.000 0.646 475 A CB -1.185 17.853 19.000 0.063 0.000 0.806 475 A HN 1.252 nan 8.150 nan 0.000 0.448 476 S N -2.091 113.623 115.700 0.024 0.000 2.575 476 S HA 0.485 4.955 4.470 0.001 0.000 0.215 476 S C 0.880 175.298 174.600 -0.304 0.000 0.966 476 S CA 0.579 58.741 58.200 -0.064 0.000 0.911 476 S CB -0.221 62.942 63.200 -0.061 0.000 0.780 476 S HN 1.768 nan 8.310 nan 0.000 0.514 477 G N 0.592 109.017 108.800 -0.625 0.000 2.346 477 G HA2 0.170 4.130 3.960 0.001 0.000 0.294 477 G HA3 0.170 4.130 3.960 0.001 0.000 0.294 477 G C -1.576 172.913 174.900 -0.686 0.000 1.294 477 G CA -1.076 43.326 45.100 -1.163 0.000 0.962 477 G HN 0.289 nan 8.290 nan 0.000 0.508 478 L N 0.500 121.381 121.223 -0.570 0.000 2.290 478 L HA 0.517 4.858 4.340 0.001 0.000 0.284 478 L C 0.445 177.225 176.870 -0.151 0.000 1.078 478 L CA -0.255 54.400 54.840 -0.309 0.000 0.815 478 L CB 1.073 42.872 42.059 -0.435 0.000 1.162 478 L HN 0.403 nan 8.230 nan 0.000 0.435 479 K N 2.682 123.028 120.400 -0.091 0.000 2.292 479 K HA 0.554 4.874 4.320 0.001 0.000 0.257 479 K C -1.170 175.364 176.600 -0.110 0.000 0.940 479 K CA -0.649 55.582 56.287 -0.093 0.000 0.811 479 K CB 2.686 35.133 32.500 -0.089 0.000 1.120 479 K HN 0.270 nan 8.250 nan 0.000 0.428 480 V N 3.320 123.142 119.914 -0.152 0.000 2.304 480 V HA 0.319 4.439 4.120 0.001 0.000 0.278 480 V C 0.962 176.986 176.094 -0.117 0.000 1.018 480 V CA -0.104 62.084 62.300 -0.187 0.000 0.814 480 V CB 0.149 31.798 31.823 -0.290 0.000 1.021 480 V HN 1.152 nan 8.190 nan 0.000 0.440 481 G N 5.400 114.146 108.800 -0.090 0.000 2.672 481 G HA2 -0.379 3.582 3.960 0.001 0.000 0.332 481 G HA3 -0.379 3.582 3.960 0.001 0.000 0.332 481 G C 1.208 176.071 174.900 -0.063 0.000 1.213 481 G CA 1.076 46.137 45.100 -0.066 0.000 0.980 481 G HN 1.245 nan 8.290 nan 0.000 0.548 482 S N 0.792 116.458 115.700 -0.058 0.000 2.548 482 S HA 0.202 4.673 4.470 0.001 0.000 0.215 482 S C 0.683 175.248 174.600 -0.059 0.000 0.976 482 S CA 0.501 58.669 58.200 -0.052 0.000 0.908 482 S CB 0.105 63.280 63.200 -0.042 0.000 0.781 482 S HN 0.629 nan 8.310 nan 0.000 0.519 483 N N 2.179 120.838 118.700 -0.068 0.000 2.444 483 N HA 0.360 5.100 4.740 0.001 0.000 0.271 483 N C -1.191 174.272 175.510 -0.078 0.000 1.069 483 N CA -0.078 52.931 53.050 -0.068 0.000 0.965 483 N CB 1.899 40.344 38.487 -0.071 0.000 1.092 483 N HN 0.054 nan 8.380 nan 0.000 0.476 484 V N 2.044 121.914 119.914 -0.074 0.000 2.417 484 V HA 0.261 4.381 4.120 0.001 0.000 0.291 484 V C 0.337 176.378 176.094 -0.089 0.000 1.024 484 V CA -0.677 61.563 62.300 -0.100 0.000 0.861 484 V CB 1.647 33.401 31.823 -0.114 0.000 0.985 484 V HN 0.542 nan 8.190 nan 0.000 0.436 485 T N 5.001 119.487 114.554 -0.113 0.000 2.727 485 T HA 0.304 4.655 4.350 0.001 0.000 0.298 485 T C -0.018 174.558 174.700 -0.207 0.000 0.942 485 T CA -0.149 61.883 62.100 -0.113 0.000 0.997 485 T CB 0.564 69.356 68.868 -0.127 0.000 0.917 485 T HN 0.683 nan 8.240 nan 0.000 0.487 486 Q N 1.997 121.720 119.800 -0.128 0.000 2.352 486 Q HA 0.214 4.555 4.340 0.001 0.000 0.260 486 Q C -0.493 175.472 176.000 -0.059 0.000 0.976 486 Q CA -0.351 55.364 55.803 -0.146 0.000 0.881 486 Q CB 0.464 29.169 28.738 -0.056 0.000 1.235 486 Q HN 0.540 nan 8.270 nan 0.000 0.419 487 Y N 1.194 121.490 120.300 -0.006 0.000 2.550 487 Y HA -0.058 4.493 4.550 0.001 0.000 0.343 487 Y C 0.306 176.187 175.900 -0.031 0.000 1.245 487 Y CA -0.325 57.768 58.100 -0.011 0.000 1.462 487 Y CB 0.166 38.605 38.460 -0.035 0.000 1.340 487 Y HN 0.592 nan 8.280 nan 0.000 0.604 488 D N 0.847 121.295 120.400 0.080 0.000 2.472 488 D HA 0.276 4.917 4.640 0.001 0.000 0.237 488 D C -0.259 176.067 176.300 0.044 0.000 1.141 488 D CA 0.415 54.423 54.000 0.013 0.000 0.875 488 D CB 0.502 41.271 40.800 -0.052 0.000 1.192 488 D HN 0.722 nan 8.370 nan 0.000 0.450 489 A N 2.271 125.138 122.820 0.079 0.000 2.591 489 A HA 0.282 4.602 4.320 0.001 0.000 0.244 489 A C -0.007 177.648 177.584 0.119 0.000 1.031 489 A CA 0.524 52.610 52.037 0.081 0.000 0.767 489 A CB 0.061 19.091 19.000 0.049 0.000 0.942 489 A HN 0.372 nan 8.150 nan 0.000 0.514 490 S N 0.374 116.147 115.700 0.122 0.000 2.564 490 S HA 0.590 5.060 4.470 0.001 0.000 0.274 490 S C -0.878 173.798 174.600 0.126 0.000 1.124 490 S CA -0.587 57.686 58.200 0.122 0.000 0.869 490 S CB 1.996 65.351 63.200 0.258 0.000 1.105 490 S HN 0.771 nan 8.310 nan 0.000 0.472 491 V N 2.642 122.591 119.914 0.057 0.000 2.378 491 V HA 0.418 4.538 4.120 0.001 0.000 0.288 491 V C -0.411 175.767 176.094 0.141 0.000 1.016 491 V CA -0.763 61.582 62.300 0.076 0.000 0.840 491 V CB 1.274 33.087 31.823 -0.016 0.000 0.994 491 V HN 0.711 nan 8.190 nan 0.000 0.431 492 K N 3.094 123.608 120.400 0.190 0.000 2.201 492 K HA 0.617 4.937 4.320 0.001 0.000 0.278 492 K C 0.715 177.399 176.600 0.139 0.000 1.027 492 K CA -0.160 56.264 56.287 0.228 0.000 0.909 492 K CB 1.880 34.475 32.500 0.159 0.000 1.062 492 K HN 0.839 nan 8.250 nan 0.000 0.465 493 G N 0.900 109.788 108.800 0.146 0.000 2.574 493 G HA2 0.353 4.314 3.960 0.001 0.000 0.248 493 G HA3 0.353 4.314 3.960 0.001 0.000 0.248 493 G C -0.272 174.678 174.900 0.084 0.000 1.422 493 G CA -0.282 44.879 45.100 0.102 0.000 1.051 493 G HN 0.611 nan 8.290 nan 0.000 0.560 494 T N -3.821 110.777 114.554 0.074 0.000 2.888 494 T HA 0.315 4.665 4.350 0.001 0.000 0.288 494 T C 0.571 175.310 174.700 0.064 0.000 1.063 494 T CA -0.672 61.464 62.100 0.060 0.000 1.010 494 T CB 1.558 70.456 68.868 0.050 0.000 1.214 494 T HN 0.344 nan 8.240 nan 0.000 0.533 495 N N -0.310 118.423 118.700 0.054 0.000 2.571 495 N HA 0.167 4.908 4.740 0.001 0.000 0.189 495 N C 1.030 176.573 175.510 0.055 0.000 1.154 495 N CA -0.043 53.040 53.050 0.056 0.000 0.907 495 N CB 0.007 38.522 38.487 0.046 0.000 0.977 495 N HN 0.762 nan 8.380 nan 0.000 0.449 496 G N 0.079 108.911 108.800 0.053 0.000 2.580 496 G HA2 0.526 4.487 3.960 0.001 0.000 0.278 496 G HA3 0.526 4.487 3.960 0.001 0.000 0.278 496 G C -0.461 174.476 174.900 0.061 0.000 1.212 496 G CA -0.600 44.531 45.100 0.052 0.000 0.939 496 G HN 0.157 nan 8.290 nan 0.000 0.513 497 A N 0.626 123.482 122.820 0.060 0.000 2.451 497 A HA 0.468 4.789 4.320 0.001 0.000 0.266 497 A C -0.117 177.510 177.584 0.071 0.000 1.119 497 A CA -0.203 51.876 52.037 0.069 0.000 0.786 497 A CB 0.009 19.046 19.000 0.063 0.000 1.061 497 A HN 0.575 nan 8.150 nan 0.000 0.503 498 D N 1.646 122.095 120.400 0.083 0.000 2.340 498 D HA 0.474 5.115 4.640 0.001 0.000 0.240 498 D C -0.724 175.629 176.300 0.089 0.000 1.001 498 D CA -0.143 53.902 54.000 0.076 0.000 0.888 498 D CB 1.805 42.647 40.800 0.071 0.000 1.310 498 D HN 0.380 nan 8.370 nan 0.000 0.474 499 T N 1.320 115.911 114.554 0.063 0.000 2.758 499 T HA 0.491 4.841 4.350 0.001 0.000 0.285 499 T C 0.073 174.764 174.700 -0.015 0.000 0.981 499 T CA -0.556 61.564 62.100 0.032 0.000 0.965 499 T CB 0.561 69.438 68.868 0.016 0.000 0.927 499 T HN 0.095 nan 8.240 nan 0.000 0.448 500 L N 3.117 124.317 121.223 -0.040 0.000 2.362 500 L HA 0.634 4.974 4.340 0.001 0.000 0.275 500 L C -0.074 176.720 176.870 -0.127 0.000 0.998 500 L CA -0.975 53.826 54.840 -0.065 0.000 0.820 500 L CB 2.052 44.088 42.059 -0.038 0.000 1.270 500 L HN 0.410 nan 8.230 nan 0.000 0.415 501 K N 2.219 122.522 120.400 -0.162 0.000 2.292 501 K HA 0.749 5.070 4.320 0.001 0.000 0.257 501 K C -0.605 175.807 176.600 -0.313 0.000 0.940 501 K CA -0.466 55.698 56.287 -0.206 0.000 0.811 501 K CB 1.977 34.369 32.500 -0.180 0.000 1.120 501 K HN 0.710 nan 8.250 nan 0.000 0.428 502 A N 3.292 125.937 122.820 -0.292 0.000 2.371 502 A HA 0.261 4.581 4.320 0.001 0.000 0.257 502 A C -0.781 176.604 177.584 -0.331 0.000 1.089 502 A CA -0.197 51.647 52.037 -0.321 0.000 0.794 502 A CB -0.087 18.749 19.000 -0.273 0.000 1.029 502 A HN 0.877 nan 8.150 nan 0.000 0.488 503 H N 0.728 119.749 119.070 -0.081 0.000 2.603 503 H HA 0.393 4.949 4.556 0.001 0.000 0.370 503 H C 1.425 176.718 175.328 -0.059 0.000 1.225 503 H CA 0.338 56.353 56.048 -0.055 0.000 1.410 503 H CB 0.777 30.515 29.762 -0.041 0.000 1.495 503 H HN 0.716 nan 8.280 nan 0.000 0.602 504 A N 1.695 124.562 122.820 0.078 0.000 2.070 504 A HA -0.112 4.209 4.320 0.001 0.000 0.220 504 A C 2.421 180.013 177.584 0.014 0.000 1.159 504 A CA 1.567 53.618 52.037 0.024 0.000 0.656 504 A CB -1.128 17.884 19.000 0.020 0.000 0.800 504 A HN 0.867 nan 8.150 nan 0.000 0.453 505 G N -1.172 107.648 108.800 0.033 0.000 2.679 505 G HA2 0.406 4.367 3.960 0.001 0.000 0.212 505 G HA3 0.406 4.367 3.960 0.001 0.000 0.212 505 G C 0.889 175.785 174.900 -0.007 0.000 1.137 505 G CA 0.659 45.765 45.100 0.009 0.000 0.787 505 G HN 1.704 nan 8.290 nan 0.000 0.534 506 G N -0.737 108.052 108.800 -0.019 0.000 2.907 506 G HA2 0.108 4.069 3.960 0.001 0.000 0.686 506 G HA3 0.108 4.069 3.960 0.001 0.000 0.686 506 G C -1.456 173.413 174.900 -0.053 0.000 1.115 506 G CA -0.365 44.689 45.100 -0.077 0.000 0.760 506 G HN 0.230 nan 8.290 nan 0.000 0.620 507 D N -0.077 120.229 120.400 -0.156 0.000 2.596 507 D HA 0.471 5.111 4.640 0.001 0.000 0.234 507 D C -0.628 175.493 176.300 -0.299 0.000 1.181 507 D CA -0.360 53.576 54.000 -0.107 0.000 0.856 507 D CB 1.213 41.960 40.800 -0.088 0.000 1.498 507 D HN 0.375 nan 8.370 nan 0.000 0.446 508 W N 1.372 122.404 121.300 -0.447 0.000 2.311 508 W HA 0.405 5.066 4.660 0.001 0.000 0.310 508 W C 0.035 176.014 176.519 -0.899 0.000 1.274 508 W CA -0.240 56.654 57.345 -0.752 0.000 1.215 508 W CB 0.420 29.422 29.460 -0.765 0.000 1.227 508 W HN 0.012 nan 8.180 nan 0.000 0.523 509 L N 4.942 125.666 121.223 -0.832 0.000 2.319 509 L HA 0.445 4.785 4.340 0.001 0.000 0.281 509 L C -1.057 175.500 176.870 -0.521 0.000 1.005 509 L CA -0.867 53.623 54.840 -0.582 0.000 0.828 509 L CB 0.647 42.393 42.059 -0.522 0.000 1.227 509 L HN 0.191 nan 8.230 nan 0.000 0.415 510 F N 1.509 121.437 119.950 -0.036 0.000 2.311 510 F HA 0.346 4.873 4.527 0.001 0.000 0.371 510 F C 1.402 177.219 175.800 0.028 0.000 1.083 510 F CA -0.719 57.281 58.000 -0.002 0.000 1.113 510 F CB 1.315 40.327 39.000 0.019 0.000 1.349 510 F HN 0.570 nan 8.300 nan 0.000 0.470 511 G N 3.167 112.085 108.800 0.198 0.000 2.529 511 G HA2 -0.191 3.769 3.960 0.001 0.000 0.219 511 G HA3 -0.191 3.769 3.960 0.001 0.000 0.219 511 G C 0.935 175.930 174.900 0.159 0.000 1.177 511 G CA 0.962 46.161 45.100 0.164 0.000 0.773 511 G HN 0.636 nan 8.290 nan 0.000 0.573 512 L N -1.544 119.782 121.223 0.172 0.000 7.603 512 L HA -0.203 4.137 4.340 0.001 0.000 0.092 512 L C -0.114 176.830 176.870 0.122 0.000 1.252 512 L CA 0.679 55.599 54.840 0.133 0.000 1.482 512 L CB -1.211 40.908 42.059 0.101 0.000 2.830 512 L HN 0.193 nan 8.230 nan 0.000 1.159 513 D N 0.817 121.276 120.400 0.099 0.000 2.390 513 D HA 0.434 5.075 4.640 0.001 0.000 0.236 513 D C 0.623 176.978 176.300 0.092 0.000 1.189 513 D CA 1.547 55.603 54.000 0.092 0.000 0.887 513 D CB 0.512 41.355 40.800 0.072 0.000 1.198 513 D HN 1.009 nan 8.370 nan 0.000 0.444 514 G N 0.787 109.640 108.800 0.088 0.000 2.612 514 G HA2 -0.161 3.799 3.960 0.001 0.000 0.686 514 G HA3 -0.161 3.799 3.960 0.001 0.000 0.686 514 G C -0.872 174.083 174.900 0.091 0.000 1.274 514 G CA -0.992 44.156 45.100 0.080 0.000 0.849 514 G HN 0.447 nan 8.290 nan 0.000 0.595 515 N N 2.077 120.826 118.700 0.082 0.000 2.415 515 N HA 0.363 5.103 4.740 0.001 0.000 0.250 515 N C -0.527 175.043 175.510 0.100 0.000 1.127 515 N CA -0.063 53.040 53.050 0.088 0.000 0.945 515 N CB 0.784 39.311 38.487 0.067 0.000 1.196 515 N HN 0.517 nan 8.380 nan 0.000 0.499 516 D N -0.125 120.350 120.400 0.125 0.000 2.228 516 D HA 0.098 4.739 4.640 0.001 0.000 0.247 516 D C -0.374 176.047 176.300 0.200 0.000 0.995 516 D CA -0.251 53.837 54.000 0.147 0.000 0.903 516 D CB 1.748 42.634 40.800 0.143 0.000 1.205 516 D HN 0.481 nan 8.370 nan 0.000 0.459 517 H N 1.329 120.448 119.070 0.081 0.000 2.581 517 H HA 0.306 4.863 4.556 0.001 0.000 0.308 517 H C -1.039 174.348 175.328 0.098 0.000 1.040 517 H CA -0.925 55.174 56.048 0.084 0.000 1.231 517 H CB 0.586 30.386 29.762 0.063 0.000 1.396 517 H HN -0.021 nan 8.280 nan 0.000 0.467 518 L N 7.272 128.672 121.223 0.295 0.000 2.265 518 L HA 0.290 4.630 4.340 0.001 0.000 0.289 518 L C -0.305 176.703 176.870 0.230 0.000 1.033 518 L CA -0.190 54.778 54.840 0.213 0.000 0.814 518 L CB 1.065 43.332 42.059 0.347 0.000 1.203 518 L HN 0.621 nan 8.230 nan 0.000 0.423 519 I N 3.433 124.011 120.570 0.015 0.000 2.337 519 I HA 0.357 4.527 4.170 0.001 0.000 0.285 519 I C 1.085 177.225 176.117 0.038 0.000 1.041 519 I CA -0.386 60.918 61.300 0.006 0.000 1.199 519 I CB 0.999 38.889 38.000 -0.185 0.000 1.370 519 I HN 0.669 nan 8.210 nan 0.000 0.470 520 G N 3.841 112.785 108.800 0.240 0.000 2.636 520 G HA2 0.474 4.434 3.960 0.001 0.000 0.246 520 G HA3 0.474 4.434 3.960 0.001 0.000 0.246 520 G C 0.258 175.170 174.900 0.020 0.000 1.216 520 G CA -0.042 45.124 45.100 0.110 0.000 0.854 520 G HN 0.672 nan 8.290 nan 0.000 0.572 521 G N -1.928 106.843 108.800 -0.047 0.000 3.107 521 G HA2 0.488 4.448 3.960 0.001 0.000 0.232 521 G HA3 0.488 4.448 3.960 0.001 0.000 0.232 521 G C 1.144 176.037 174.900 -0.013 0.000 1.339 521 G CA 0.312 45.395 45.100 -0.029 0.000 1.033 521 G HN 1.235 nan 8.290 nan 0.000 0.567 522 V N -1.607 118.299 119.914 -0.013 0.000 3.078 522 V HA 0.261 4.381 4.120 0.001 0.000 0.265 522 V C 1.343 177.422 176.094 -0.024 0.000 1.122 522 V CA 1.024 63.317 62.300 -0.011 0.000 1.141 522 V CB -1.246 30.573 31.823 -0.008 0.000 0.735 522 V HN 0.725 nan 8.190 nan 0.000 0.498 523 G N 0.541 109.318 108.800 -0.038 0.000 2.588 523 G HA2 0.292 4.252 3.960 0.001 0.000 0.281 523 G HA3 0.292 4.252 3.960 0.001 0.000 0.281 523 G C -0.443 174.405 174.900 -0.086 0.000 1.236 523 G CA -0.797 44.270 45.100 -0.054 0.000 0.969 523 G HN 0.399 nan 8.290 nan 0.000 0.504 524 N N 1.612 120.251 118.700 -0.101 0.000 2.402 524 N HA 0.192 4.933 4.740 0.001 0.000 0.252 524 N C -0.675 174.688 175.510 -0.245 0.000 1.118 524 N CA 0.076 53.038 53.050 -0.147 0.000 0.945 524 N CB 0.910 39.325 38.487 -0.119 0.000 1.147 524 N HN 0.360 nan 8.380 nan 0.000 0.495 525 D N 0.455 120.647 120.400 -0.347 0.000 2.268 525 D HA 0.358 4.998 4.640 0.001 0.000 0.249 525 D C -0.118 175.709 176.300 -0.789 0.000 1.008 525 D CA -0.426 53.209 54.000 -0.608 0.000 0.939 525 D CB 2.275 42.561 40.800 -0.856 0.000 1.170 525 D HN -0.000 nan 8.370 nan 0.000 0.468 526 V N 1.924 121.195 119.914 -1.072 0.000 2.350 526 V HA 0.284 4.404 4.120 0.001 0.000 0.285 526 V C -0.620 174.831 176.094 -1.071 0.000 1.014 526 V CA -0.712 60.865 62.300 -1.205 0.000 0.831 526 V CB 0.488 31.067 31.823 -2.074 0.000 1.000 526 V HN 0.342 nan 8.190 nan 0.000 0.433 527 F N 3.757 123.191 119.950 -0.859 0.000 2.410 527 F HA 0.573 5.100 4.527 0.001 0.000 0.349 527 F C 0.238 175.725 175.800 -0.522 0.000 1.117 527 F CA -0.650 56.974 58.000 -0.627 0.000 1.104 527 F CB 1.792 40.452 39.000 -0.567 0.000 1.122 527 F HN 0.197 nan 8.300 nan 0.000 0.483 528 V N 3.745 123.523 119.914 -0.225 0.000 2.320 528 V HA 0.239 4.360 4.120 0.001 0.000 0.268 528 V C 0.840 176.956 176.094 0.037 0.000 1.021 528 V CA -0.481 61.750 62.300 -0.116 0.000 0.813 528 V CB 0.788 32.629 31.823 0.029 0.000 1.054 528 V HN 1.037 nan 8.190 nan 0.000 0.444 529 G N 2.365 111.183 108.800 0.030 0.000 2.432 529 G HA2 0.313 4.274 3.960 0.001 0.000 0.219 529 G HA3 0.313 4.274 3.960 0.001 0.000 0.219 529 G C 0.957 175.959 174.900 0.169 0.000 1.135 529 G CA 0.995 46.178 45.100 0.137 0.000 0.767 529 G HN 1.410 nan 8.290 nan 0.000 0.550 530 G N -0.606 108.300 108.800 0.177 0.000 2.698 530 G HA2 0.271 4.231 3.960 0.001 0.000 0.233 530 G HA3 0.271 4.231 3.960 0.001 0.000 0.233 530 G C 0.443 175.479 174.900 0.227 0.000 1.352 530 G CA 0.080 45.302 45.100 0.204 0.000 0.879 530 G HN 1.470 nan 8.290 nan 0.000 0.567 531 A N -0.498 122.437 122.820 0.192 0.000 2.475 531 A HA 0.782 5.102 4.320 0.001 0.000 0.239 531 A C 1.852 179.528 177.584 0.154 0.000 1.087 531 A CA 2.214 54.354 52.037 0.171 0.000 0.779 531 A CB -0.296 18.780 19.000 0.126 0.000 1.036 531 A HN 3.022 nan 8.150 nan 0.000 0.506 532 G N 0.389 109.267 108.800 0.129 0.000 2.746 532 G HA2 -0.075 3.886 3.960 0.001 0.000 0.685 532 G HA3 -0.075 3.886 3.960 0.001 0.000 0.685 532 G C -0.745 174.235 174.900 0.132 0.000 1.350 532 G CA -0.302 44.864 45.100 0.111 0.000 0.837 532 G HN 1.084 nan 8.290 nan 0.000 0.564 533 N N 2.041 120.805 118.700 0.106 0.000 2.500 533 N HA 0.380 5.121 4.740 0.001 0.000 0.236 533 N C -0.691 174.890 175.510 0.118 0.000 1.022 533 N CA -0.239 52.877 53.050 0.110 0.000 0.935 533 N CB 0.957 39.486 38.487 0.070 0.000 1.147 533 N HN 0.517 nan 8.380 nan 0.000 0.512 534 D N 1.161 121.657 120.400 0.160 0.000 2.181 534 D HA 0.230 4.871 4.640 0.001 0.000 0.248 534 D C -0.159 176.221 176.300 0.134 0.000 1.020 534 D CA -0.487 53.608 54.000 0.158 0.000 0.891 534 D CB 2.356 43.275 40.800 0.198 0.000 1.187 534 D HN 0.175 nan 8.370 nan 0.000 0.443 535 L N 1.913 123.205 121.223 0.116 0.000 2.287 535 L HA 0.422 4.763 4.340 0.001 0.000 0.287 535 L C -1.034 175.951 176.870 0.192 0.000 1.022 535 L CA -0.181 54.707 54.840 0.079 0.000 0.814 535 L CB 0.916 42.926 42.059 -0.081 0.000 1.217 535 L HN 0.302 nan 8.230 nan 0.000 0.420 536 M N 4.833 124.511 119.600 0.130 0.000 2.197 536 M HA 0.452 4.932 4.480 0.001 0.000 0.301 536 M C -0.908 175.400 176.300 0.014 0.000 0.987 536 M CA -0.374 54.999 55.300 0.122 0.000 0.921 536 M CB 1.954 34.598 32.600 0.074 0.000 1.569 536 M HN 0.504 nan 8.290 nan 0.000 0.431 537 E N 1.059 121.335 120.200 0.128 0.000 2.151 537 E HA 0.254 4.605 4.350 0.001 0.000 0.275 537 E C 0.302 177.007 176.600 0.174 0.000 0.936 537 E CA -0.351 56.124 56.400 0.126 0.000 0.777 537 E CB 2.205 32.017 29.700 0.186 0.000 1.108 537 E HN 0.702 nan 8.360 nan 0.000 0.401 538 S N 3.187 118.979 115.700 0.154 0.000 2.359 538 S HA -0.177 4.293 4.470 0.001 0.000 0.223 538 S C 1.693 176.435 174.600 0.238 0.000 1.039 538 S CA 2.089 60.444 58.200 0.258 0.000 1.042 538 S CB -0.506 62.822 63.200 0.214 0.000 0.915 538 S HN 0.996 nan 8.310 nan 0.000 0.439 539 G N -0.077 108.808 108.800 0.142 0.000 2.189 539 G HA2 0.051 4.011 3.960 0.001 0.000 0.267 539 G HA3 0.051 4.011 3.960 0.001 0.000 0.267 539 G C 1.347 176.278 174.900 0.053 0.000 0.975 539 G CA 0.631 45.783 45.100 0.087 0.000 0.644 539 G HN 1.871 nan 8.290 nan 0.000 0.537 540 G N -2.061 106.771 108.800 0.054 0.000 2.592 540 G HA2 0.545 4.506 3.960 0.001 0.000 0.684 540 G HA3 0.545 4.506 3.960 0.001 0.000 0.684 540 G C 0.972 175.875 174.900 0.005 0.000 1.291 540 G CA 0.877 45.988 45.100 0.019 0.000 0.891 540 G HN 2.654 nan 8.290 nan 0.000 0.544 541 G N -1.276 107.512 108.800 -0.019 0.000 2.725 541 G HA2 0.454 4.414 3.960 0.001 0.000 0.220 541 G HA3 0.454 4.414 3.960 0.001 0.000 0.220 541 G C 0.328 175.196 174.900 -0.054 0.000 1.357 541 G CA 0.952 46.029 45.100 -0.038 0.000 0.866 541 G HN 2.678 nan 8.290 nan 0.000 0.548 542 A N 0.560 123.338 122.820 -0.070 0.000 2.394 542 A HA 0.651 4.972 4.320 0.001 0.000 0.333 542 A C -0.384 177.137 177.584 -0.105 0.000 1.397 542 A CA -0.170 51.815 52.037 -0.087 0.000 0.884 542 A CB 0.537 19.490 19.000 -0.079 0.000 1.147 542 A HN 0.580 nan 8.150 nan 0.000 0.505 543 D N 1.139 121.483 120.400 -0.093 0.000 2.228 543 D HA 0.603 5.244 4.640 0.001 0.000 0.247 543 D C -0.284 175.917 176.300 -0.166 0.000 0.995 543 D CA 0.233 54.145 54.000 -0.148 0.000 0.903 543 D CB 1.873 42.628 40.800 -0.075 0.000 1.205 543 D HN 0.351 nan 8.370 nan 0.000 0.459 544 T N 1.125 115.480 114.554 -0.332 0.000 2.807 544 T HA 0.509 4.860 4.350 0.001 0.000 0.279 544 T C -0.508 173.938 174.700 -0.424 0.000 0.993 544 T CA -0.499 61.447 62.100 -0.257 0.000 0.970 544 T CB 0.437 69.114 68.868 -0.319 0.000 0.950 544 T HN 0.086 nan 8.240 nan 0.000 0.441 545 F N 2.721 122.582 119.950 -0.147 0.000 2.449 545 F HA 0.605 5.132 4.527 0.001 0.000 0.342 545 F C -0.276 175.103 175.800 -0.701 0.000 1.127 545 F CA -1.146 56.643 58.000 -0.351 0.000 0.975 545 F CB 1.351 40.217 39.000 -0.224 0.000 1.146 545 F HN 0.260 nan 8.300 nan 0.000 0.444 546 L N 5.051 125.813 121.223 -0.768 0.000 2.313 546 L HA 0.671 5.011 4.340 0.001 0.000 0.283 546 L C -1.644 174.612 176.870 -1.024 0.000 1.013 546 L CA -0.651 53.781 54.840 -0.680 0.000 0.816 546 L CB 0.582 42.443 42.059 -0.330 0.000 1.236 546 L HN 0.375 nan 8.230 nan 0.000 0.419 547 F N 4.971 124.636 119.950 -0.476 0.000 2.518 547 F HA 0.550 5.077 4.527 0.001 0.000 0.323 547 F C 0.098 175.736 175.800 -0.270 0.000 1.129 547 F CA -0.602 57.040 58.000 -0.597 0.000 0.920 547 F CB 1.630 39.782 39.000 -1.413 0.000 1.160 547 F HN 0.578 nan 8.300 nan 0.000 0.440 548 N N 1.764 120.555 118.700 0.152 0.000 2.331 548 N HA 0.549 5.289 4.740 0.001 0.000 0.280 548 N C 0.092 175.814 175.510 0.353 0.000 1.155 548 N CA 0.344 53.543 53.050 0.248 0.000 0.822 548 N CB 2.387 41.001 38.487 0.212 0.000 1.619 548 N HN 0.848 nan 8.380 nan 0.000 0.476 549 G N 1.804 110.798 108.800 0.323 0.000 2.564 549 G HA2 -0.202 3.759 3.960 0.001 0.000 0.273 549 G HA3 -0.202 3.759 3.960 0.001 0.000 0.273 549 G C -0.089 174.993 174.900 0.304 0.000 1.242 549 G CA 0.173 45.439 45.100 0.276 0.000 0.951 549 G HN 1.126 nan 8.290 nan 0.000 0.564 550 A N 0.085 123.025 122.820 0.200 0.000 3.015 550 A HA 0.622 4.943 4.320 0.001 0.000 0.293 550 A C 0.852 178.497 177.584 0.103 0.000 1.572 550 A CA 0.698 52.789 52.037 0.090 0.000 1.274 550 A CB -0.934 18.101 19.000 0.059 0.000 1.156 550 A HN 1.719 nan 8.150 nan 0.000 0.562 551 F N 0.559 120.614 119.950 0.174 0.000 2.748 551 F HA 0.427 4.955 4.527 0.001 0.000 0.299 551 F C 0.939 176.854 175.800 0.191 0.000 1.154 551 F CA 0.060 58.185 58.000 0.208 0.000 1.446 551 F CB -0.597 38.588 39.000 0.308 0.000 1.112 551 F HN 0.747 nan 8.300 nan 0.000 0.584 552 G N 1.061 109.749 108.800 -0.186 0.000 2.615 552 G HA2 -0.120 3.840 3.960 0.001 0.000 0.218 552 G HA3 -0.120 3.840 3.960 0.001 0.000 0.218 552 G C -1.191 173.658 174.900 -0.085 0.000 1.339 552 G CA -0.347 44.712 45.100 -0.068 0.000 0.884 552 G HN 0.471 nan 8.290 nan 0.000 0.559 553 Q N 1.331 121.149 119.800 0.029 0.000 2.400 553 Q HA 0.498 4.838 4.340 0.001 0.000 0.255 553 Q C -1.098 174.981 176.000 0.131 0.000 1.008 553 Q CA -0.546 55.295 55.803 0.063 0.000 0.841 553 Q CB 1.627 30.379 28.738 0.023 0.000 1.220 553 Q HN 0.575 nan 8.270 nan 0.000 0.474 554 D N 1.920 122.446 120.400 0.210 0.000 2.217 554 D HA 0.451 5.092 4.640 0.001 0.000 0.248 554 D C -0.087 176.275 176.300 0.104 0.000 1.008 554 D CA -0.494 53.636 54.000 0.216 0.000 0.914 554 D CB 1.624 42.662 40.800 0.397 0.000 1.182 554 D HN 0.212 nan 8.370 nan 0.000 0.451 555 R N 0.417 120.956 120.500 0.065 0.000 2.534 555 R HA 0.574 4.914 4.340 0.001 0.000 0.301 555 R C -1.063 175.205 176.300 -0.053 0.000 0.961 555 R CA -0.910 55.184 56.100 -0.009 0.000 0.871 555 R CB 2.103 32.395 30.300 -0.013 0.000 1.170 555 R HN 0.111 nan 8.270 nan 0.000 0.446 556 V N 3.948 123.772 119.914 -0.151 0.000 2.384 556 V HA 0.299 4.419 4.120 0.001 0.000 0.287 556 V C -0.083 175.900 176.094 -0.186 0.000 1.020 556 V CA -0.805 61.324 62.300 -0.286 0.000 0.850 556 V CB 1.868 33.310 31.823 -0.635 0.000 0.987 556 V HN 0.463 nan 8.190 nan 0.000 0.436 557 V N 3.876 123.725 119.914 -0.108 0.000 2.481 557 V HA 0.728 4.849 4.120 0.001 0.000 0.286 557 V C 1.106 177.205 176.094 0.008 0.000 1.042 557 V CA 0.647 62.929 62.300 -0.029 0.000 0.928 557 V CB 1.027 32.860 31.823 0.017 0.000 0.986 557 V HN 1.198 nan 8.190 nan 0.000 0.462 558 G N 4.062 112.884 108.800 0.036 0.000 2.137 558 G HA2 -0.272 3.688 3.960 0.001 0.000 0.237 558 G HA3 -0.272 3.688 3.960 0.001 0.000 0.237 558 G C -0.123 174.827 174.900 0.083 0.000 1.002 558 G CA 0.065 45.200 45.100 0.059 0.000 0.702 558 G HN 0.759 nan 8.290 nan 0.000 0.515 559 F N 2.984 122.884 119.950 -0.084 0.000 2.504 559 F HA 0.555 5.083 4.527 0.001 0.000 0.369 559 F C 1.069 176.844 175.800 -0.042 0.000 1.082 559 F CA 0.900 58.846 58.000 -0.090 0.000 1.216 559 F CB 0.867 39.738 39.000 -0.214 0.000 1.108 559 F HN 0.371 nan 8.300 nan 0.000 0.554 560 T N 0.801 115.052 114.554 -0.504 0.000 2.724 560 T HA 0.230 4.580 4.350 0.001 0.000 0.274 560 T C 0.919 175.308 174.700 -0.519 0.000 0.984 560 T CA -0.131 61.765 62.100 -0.340 0.000 1.024 560 T CB 1.104 69.872 68.868 -0.166 0.000 1.320 560 T HN 0.463 nan 8.240 nan 0.000 0.555 561 S N 1.214 116.768 115.700 -0.243 0.000 2.380 561 S HA -0.166 4.304 4.470 0.001 0.000 0.229 561 S C 1.561 176.046 174.600 -0.191 0.000 1.043 561 S CA 2.117 60.216 58.200 -0.168 0.000 1.038 561 S CB -0.991 62.155 63.200 -0.089 0.000 0.872 561 S HN 0.868 nan 8.310 nan 0.000 0.456 562 N N 0.614 119.191 118.700 -0.205 0.000 2.276 562 N HA 0.111 4.851 4.740 0.001 0.000 0.212 562 N C -0.907 174.487 175.510 -0.194 0.000 1.127 562 N CA -0.122 52.833 53.050 -0.158 0.000 0.834 562 N CB -0.253 38.169 38.487 -0.109 0.000 1.014 562 N HN 0.226 nan 8.380 nan 0.000 0.491 563 D N 0.631 120.812 120.400 -0.366 0.000 2.277 563 D HA 0.236 4.877 4.640 0.001 0.000 0.250 563 D C -0.530 175.694 176.300 -0.128 0.000 1.032 563 D CA -0.104 53.694 54.000 -0.337 0.000 0.947 563 D CB 1.934 42.340 40.800 -0.657 0.000 1.159 563 D HN 0.112 nan 8.370 nan 0.000 0.460 564 K N 1.180 121.667 120.400 0.145 0.000 2.397 564 K HA 0.463 4.784 4.320 0.001 0.000 0.253 564 K C -1.214 175.581 176.600 0.326 0.000 0.932 564 K CA -0.613 55.790 56.287 0.192 0.000 0.795 564 K CB 1.199 33.737 32.500 0.063 0.000 1.159 564 K HN 0.311 nan 8.250 nan 0.000 0.424 565 L N 3.691 125.063 121.223 0.249 0.000 2.322 565 L HA 0.563 4.903 4.340 0.001 0.000 0.279 565 L C -0.716 176.109 176.870 -0.076 0.000 1.036 565 L CA -1.272 53.630 54.840 0.104 0.000 0.807 565 L CB 1.855 43.937 42.059 0.038 0.000 1.226 565 L HN 0.313 nan 8.230 nan 0.000 0.433 566 V N 3.002 122.772 119.914 -0.240 0.000 2.443 566 V HA 0.417 4.538 4.120 0.001 0.000 0.293 566 V C -0.787 175.068 176.094 -0.398 0.000 1.021 566 V CA -0.397 61.731 62.300 -0.286 0.000 0.848 566 V CB 1.584 33.268 31.823 -0.232 0.000 0.998 566 V HN 0.389 nan 8.190 nan 0.000 0.424 567 F N 5.896 125.746 119.950 -0.167 0.000 2.426 567 F HA 0.774 5.302 4.527 0.001 0.000 0.348 567 F C -0.325 175.380 175.800 -0.159 0.000 1.124 567 F CA -0.735 57.106 58.000 -0.265 0.000 1.008 567 F CB 1.818 40.430 39.000 -0.647 0.000 1.139 567 F HN 0.307 nan 8.300 nan 0.000 0.452 568 L N 2.921 124.202 121.223 0.097 0.000 2.516 568 L HA 0.679 5.019 4.340 0.001 0.000 0.267 568 L C 0.087 177.120 176.870 0.271 0.000 0.957 568 L CA -0.391 54.552 54.840 0.171 0.000 0.860 568 L CB 1.696 43.829 42.059 0.124 0.000 1.265 568 L HN 0.732 nan 8.230 nan 0.000 0.403 569 G N 3.547 112.587 108.800 0.401 0.000 2.272 569 G HA2 -0.057 3.904 3.960 0.001 0.000 0.280 569 G HA3 -0.057 3.904 3.960 0.001 0.000 0.280 569 G C -0.179 174.856 174.900 0.225 0.000 1.067 569 G CA 0.433 45.717 45.100 0.307 0.000 0.902 569 G HN 1.431 nan 8.290 nan 0.000 0.500 570 V N -3.718 116.307 119.914 0.186 0.000 2.881 570 V HA 0.848 4.968 4.120 0.001 0.000 0.316 570 V C 0.415 176.624 176.094 0.191 0.000 1.070 570 V CA -1.566 60.860 62.300 0.210 0.000 0.976 570 V CB 1.920 33.833 31.823 0.150 0.000 1.038 570 V HN 0.272 nan 8.190 nan 0.000 0.446 571 Q N 1.418 121.352 119.800 0.224 0.000 2.392 571 Q HA 0.359 4.700 4.340 0.001 0.000 0.262 571 Q C 1.191 177.351 176.000 0.265 0.000 1.003 571 Q CA 1.075 56.994 55.803 0.193 0.000 0.888 571 Q CB 0.680 29.504 28.738 0.145 0.000 1.260 571 Q HN 1.859 nan 8.270 nan 0.000 0.435 572 G N 1.044 109.955 108.800 0.186 0.000 2.160 572 G HA2 -0.229 3.732 3.960 0.001 0.000 0.244 572 G HA3 -0.229 3.732 3.960 0.001 0.000 0.244 572 G C -0.143 174.946 174.900 0.315 0.000 1.022 572 G CA 0.108 45.326 45.100 0.197 0.000 0.741 572 G HN 0.391 nan 8.290 nan 0.000 0.508 573 V N 1.786 121.860 119.914 0.266 0.000 2.353 573 V HA 0.445 4.566 4.120 0.001 0.000 0.264 573 V C 1.104 177.310 176.094 0.188 0.000 1.049 573 V CA -0.495 61.969 62.300 0.273 0.000 0.896 573 V CB 1.126 33.083 31.823 0.223 0.000 1.025 573 V HN 0.356 nan 8.190 nan 0.000 0.475 574 L N 7.103 128.426 121.223 0.167 0.000 2.417 574 L HA 0.357 4.697 4.340 0.001 0.000 0.268 574 L C -2.021 174.916 176.870 0.112 0.000 1.158 574 L CA -1.829 53.070 54.840 0.098 0.000 0.819 574 L CB 0.738 42.827 42.059 0.049 0.000 1.112 574 L HN 0.375 nan 8.230 nan 0.000 0.458 575 P HA -0.082 nan 4.420 nan 0.000 0.257 575 P C 0.001 177.359 177.300 0.096 0.000 1.162 575 P CA 0.727 63.891 63.100 0.108 0.000 0.762 575 P CB 0.199 31.954 31.700 0.092 0.000 0.753 576 N N 0.577 119.340 118.700 0.105 0.000 2.878 576 N HA -0.173 4.568 4.740 0.001 0.000 0.247 576 N C -0.539 175.028 175.510 0.095 0.000 1.021 576 N CA 0.888 53.994 53.050 0.093 0.000 0.873 576 N CB -1.612 36.921 38.487 0.076 0.000 1.128 576 N HN 0.422 nan 8.380 nan 0.000 0.571 577 D N 1.109 121.581 120.400 0.119 0.000 2.571 577 D HA 0.042 4.683 4.640 0.001 0.000 0.231 577 D C 0.636 177.024 176.300 0.146 0.000 1.133 577 D CA 0.657 54.741 54.000 0.141 0.000 0.862 577 D CB 0.408 41.372 40.800 0.274 0.000 1.179 577 D HN 0.441 nan 8.370 nan 0.000 0.474 578 D N 0.172 120.638 120.400 0.111 0.000 2.588 578 D HA 0.112 4.753 4.640 0.001 0.000 0.268 578 D C 1.121 177.519 176.300 0.164 0.000 1.176 578 D CA -0.710 53.377 54.000 0.145 0.000 1.080 578 D CB -0.240 40.626 40.800 0.111 0.000 1.186 578 D HN 0.313 nan 8.370 nan 0.000 0.619 579 F N -0.384 119.620 119.950 0.090 0.000 2.293 579 F HA 0.120 4.648 4.527 0.001 0.000 0.300 579 F C 1.938 177.753 175.800 0.025 0.000 1.086 579 F CA 0.655 58.696 58.000 0.068 0.000 1.375 579 F CB -0.362 38.673 39.000 0.059 0.000 1.045 579 F HN 0.043 nan 8.300 nan 0.000 0.516 580 R N 1.108 121.065 120.500 -0.905 0.000 2.120 580 R HA -0.020 4.321 4.340 0.001 0.000 0.234 580 R C 2.446 178.537 176.300 -0.347 0.000 1.123 580 R CA 1.046 56.724 56.100 -0.703 0.000 0.975 580 R CB -0.851 29.040 30.300 -0.681 0.000 0.866 580 R HN 0.479 nan 8.270 nan 0.000 0.446 581 A N 0.465 123.129 122.820 -0.259 0.000 2.125 581 A HA -0.166 4.154 4.320 0.001 0.000 0.219 581 A C 0.882 178.154 177.584 -0.521 0.000 1.156 581 A CA 1.421 53.267 52.037 -0.318 0.000 0.671 581 A CB -0.315 18.518 19.000 -0.278 0.000 0.794 581 A HN 0.392 nan 8.150 nan 0.000 0.459 582 H N -2.203 116.679 119.070 -0.315 0.000 3.058 582 H HA 0.565 5.122 4.556 0.001 0.000 0.266 582 H C 0.420 175.545 175.328 -0.337 0.000 1.135 582 H CA 0.279 56.051 56.048 -0.459 0.000 1.174 582 H CB 0.560 29.788 29.762 -0.889 0.000 1.581 582 H HN 0.453 nan 8.280 nan 0.000 0.553 583 A N 0.948 123.691 122.820 -0.128 0.000 2.324 583 A HA 0.718 5.038 4.320 0.001 0.000 0.330 583 A C -0.055 177.481 177.584 -0.080 0.000 1.165 583 A CA -0.195 51.809 52.037 -0.054 0.000 0.813 583 A CB 0.816 19.866 19.000 0.082 0.000 1.197 583 A HN 0.291 nan 8.150 nan 0.000 0.484 584 S N 1.636 117.300 115.700 -0.059 0.000 2.671 584 S HA 0.792 5.262 4.470 0.001 0.000 0.277 584 S C -0.785 173.793 174.600 -0.036 0.000 1.165 584 S CA -0.849 57.318 58.200 -0.055 0.000 0.822 584 S CB 1.208 64.365 63.200 -0.071 0.000 1.150 584 S HN 0.554 nan 8.310 nan 0.000 0.479 585 M N 2.103 121.684 119.600 -0.032 0.000 2.205 585 M HA 0.465 4.946 4.480 0.001 0.000 0.344 585 M C -1.362 174.919 176.300 -0.030 0.000 1.085 585 M CA -0.548 54.736 55.300 -0.026 0.000 1.001 585 M CB 1.418 34.007 32.600 -0.018 0.000 1.626 585 M HN 0.589 nan 8.290 nan 0.000 0.442 586 V N 3.229 123.125 119.914 -0.031 0.000 2.326 586 V HA 0.641 4.762 4.120 0.001 0.000 0.281 586 V C 0.800 176.879 176.094 -0.025 0.000 1.015 586 V CA 0.175 62.457 62.300 -0.029 0.000 0.823 586 V CB 0.642 32.446 31.823 -0.032 0.000 1.009 586 V HN 1.169 nan 8.190 nan 0.000 0.436 587 G N 4.940 113.727 108.800 -0.021 0.000 2.561 587 G HA2 -0.260 3.701 3.960 0.001 0.000 0.289 587 G HA3 -0.260 3.701 3.960 0.001 0.000 0.289 587 G C 0.506 175.397 174.900 -0.015 0.000 1.169 587 G CA 0.505 45.595 45.100 -0.017 0.000 0.980 587 G HN 0.561 nan 8.290 nan 0.000 0.550 588 Q N 1.667 121.458 119.800 -0.015 0.000 2.360 588 Q HA 0.198 4.538 4.340 0.001 0.000 0.202 588 Q C -0.277 175.714 176.000 -0.015 0.000 0.915 588 Q CA 0.620 56.416 55.803 -0.012 0.000 0.943 588 Q CB 0.579 29.312 28.738 -0.009 0.000 1.064 588 Q HN 0.616 nan 8.270 nan 0.000 0.511 589 D N 1.123 121.510 120.400 -0.023 0.000 2.248 589 D HA 0.217 4.858 4.640 0.001 0.000 0.246 589 D C -0.352 175.926 176.300 -0.037 0.000 1.027 589 D CA -0.230 53.749 54.000 -0.034 0.000 0.853 589 D CB 1.637 42.414 40.800 -0.039 0.000 1.243 589 D HN -0.227 nan 8.370 nan 0.000 0.462 590 T N 0.924 115.448 114.554 -0.049 0.000 2.794 590 T HA 0.323 4.674 4.350 0.001 0.000 0.296 590 T C 0.287 174.947 174.700 -0.066 0.000 0.949 590 T CA -0.444 61.627 62.100 -0.049 0.000 1.101 590 T CB 0.761 69.599 68.868 -0.050 0.000 0.905 590 T HN 0.005 nan 8.240 nan 0.000 0.516 591 V N 5.280 125.163 119.914 -0.051 0.000 2.435 591 V HA 0.445 4.565 4.120 0.001 0.000 0.290 591 V C -0.189 175.872 176.094 -0.056 0.000 1.030 591 V CA -0.861 61.408 62.300 -0.052 0.000 0.881 591 V CB 1.298 33.092 31.823 -0.047 0.000 0.983 591 V HN 0.696 nan 8.190 nan 0.000 0.445 592 L N 5.678 126.873 121.223 -0.048 0.000 2.305 592 L HA 0.574 4.915 4.340 0.001 0.000 0.284 592 L C 0.039 176.854 176.870 -0.091 0.000 1.013 592 L CA -0.197 54.590 54.840 -0.090 0.000 0.819 592 L CB 1.249 43.291 42.059 -0.028 0.000 1.227 592 L HN 0.522 nan 8.230 nan 0.000 0.417 593 K N 3.367 123.594 120.400 -0.289 0.000 2.259 593 K HA 0.683 5.004 4.320 0.001 0.000 0.252 593 K C -1.458 174.842 176.600 -0.500 0.000 0.936 593 K CA -0.584 55.581 56.287 -0.204 0.000 0.810 593 K CB 2.223 34.632 32.500 -0.150 0.000 1.143 593 K HN 0.244 nan 8.250 nan 0.000 0.427 594 F N 1.016 120.980 119.950 0.024 0.000 3.034 594 F HA 0.239 4.767 4.527 0.001 0.000 0.371 594 F C 0.753 176.559 175.800 0.010 0.000 1.233 594 F CA -0.249 57.776 58.000 0.042 0.000 1.134 594 F CB 1.547 40.575 39.000 0.046 0.000 1.495 594 F HN 0.893 nan 8.300 nan 0.000 0.563 595 G N 2.059 110.931 108.800 0.120 0.000 2.583 595 G HA2 -0.273 3.688 3.960 0.001 0.000 0.292 595 G HA3 -0.273 3.688 3.960 0.001 0.000 0.292 595 G C 1.260 176.162 174.900 0.003 0.000 1.203 595 G CA 0.172 45.305 45.100 0.055 0.000 0.987 595 G HN 1.182 nan 8.290 nan 0.000 0.554 596 G N 0.303 109.090 108.800 -0.021 0.000 2.920 596 G HA2 0.359 4.320 3.960 0.001 0.000 0.208 596 G HA3 0.359 4.320 3.960 0.001 0.000 0.208 596 G C 0.307 175.141 174.900 -0.109 0.000 1.159 596 G CA 1.159 46.227 45.100 -0.053 0.000 0.784 596 G HN 0.699 nan 8.290 nan 0.000 0.535 597 D N 0.321 120.614 120.400 -0.179 0.000 2.277 597 D HA 0.515 5.155 4.640 0.001 0.000 0.250 597 D C -0.012 176.178 176.300 -0.182 0.000 1.032 597 D CA 0.113 53.862 54.000 -0.419 0.000 0.947 597 D CB 1.855 41.973 40.800 -1.136 0.000 1.159 597 D HN 0.238 nan 8.370 nan 0.000 0.460 598 S N -0.919 114.730 115.700 -0.084 0.000 2.570 598 S HA 0.589 5.060 4.470 0.001 0.000 0.270 598 S C -1.175 173.609 174.600 0.306 0.000 1.149 598 S CA -0.854 57.446 58.200 0.167 0.000 0.837 598 S CB 1.501 64.726 63.200 0.042 0.000 1.124 598 S HN 0.172 nan 8.310 nan 0.000 0.465 599 V N 1.551 121.575 119.914 0.184 0.000 2.588 599 V HA 0.630 4.750 4.120 0.001 0.000 0.304 599 V C -0.434 175.637 176.094 -0.038 0.000 1.042 599 V CA -0.421 61.888 62.300 0.015 0.000 0.877 599 V CB 1.983 33.649 31.823 -0.262 0.000 0.996 599 V HN 1.039 nan 8.190 nan 0.000 0.425 600 T N 6.384 120.905 114.554 -0.055 0.000 2.756 600 T HA 0.554 4.904 4.350 0.001 0.000 0.290 600 T C -0.230 174.386 174.700 -0.140 0.000 0.985 600 T CA -0.240 61.812 62.100 -0.079 0.000 0.955 600 T CB 0.561 69.402 68.868 -0.045 0.000 0.930 600 T HN 0.385 nan 8.240 nan 0.000 0.451 601 L N 4.032 125.148 121.223 -0.178 0.000 2.288 601 L HA 0.371 4.711 4.340 0.001 0.000 0.283 601 L C 0.127 176.922 176.870 -0.126 0.000 1.072 601 L CA -0.939 53.760 54.840 -0.235 0.000 0.862 601 L CB 0.599 42.435 42.059 -0.372 0.000 1.245 601 L HN 0.349 nan 8.230 nan 0.000 0.432 602 V N 3.548 123.405 119.914 -0.095 0.000 2.458 602 V HA 0.132 4.252 4.120 0.001 0.000 0.287 602 V C 1.369 177.447 176.094 -0.027 0.000 1.009 602 V CA 1.170 63.439 62.300 -0.051 0.000 1.091 602 V CB 0.395 32.193 31.823 -0.041 0.000 0.960 602 V HN 1.108 nan 8.190 nan 0.000 0.476 603 G N 3.917 112.705 108.800 -0.020 0.000 2.159 603 G HA2 -0.204 3.756 3.960 0.001 0.000 0.256 603 G HA3 -0.204 3.756 3.960 0.001 0.000 0.256 603 G C 0.049 174.952 174.900 0.005 0.000 0.977 603 G CA 0.038 45.136 45.100 -0.005 0.000 0.652 603 G HN 0.759 nan 8.290 nan 0.000 0.531 604 V N 1.282 121.194 119.914 -0.003 0.000 2.407 604 V HA 0.704 4.825 4.120 0.001 0.000 0.278 604 V C 0.927 177.026 176.094 0.009 0.000 1.037 604 V CA -0.263 62.048 62.300 0.017 0.000 0.900 604 V CB 1.295 33.124 31.823 0.010 0.000 0.983 604 V HN 1.018 nan 8.190 nan 0.000 0.459 605 A N 4.269 127.103 122.820 0.024 0.000 2.401 605 A HA 0.433 4.754 4.320 0.001 0.000 0.259 605 A C 0.941 178.549 177.584 0.039 0.000 1.103 605 A CA -0.347 51.704 52.037 0.024 0.000 0.789 605 A CB 0.370 19.386 19.000 0.026 0.000 1.035 605 A HN 0.914 nan 8.150 nan 0.000 0.491 606 L N 2.754 124.002 121.223 0.042 0.000 2.079 606 L HA -0.204 4.137 4.340 0.001 0.000 0.210 606 L C 2.104 179.044 176.870 0.117 0.000 1.081 606 L CA 2.600 57.488 54.840 0.080 0.000 0.752 606 L CB -0.761 41.337 42.059 0.065 0.000 0.896 606 L HN 0.900 nan 8.230 nan 0.000 0.433 607 N N -1.155 117.593 118.700 0.080 0.000 2.520 607 N HA -0.160 4.581 4.740 0.001 0.000 0.185 607 N C 1.438 176.998 175.510 0.083 0.000 1.068 607 N CA 1.072 54.172 53.050 0.083 0.000 0.911 607 N CB -0.372 38.145 38.487 0.051 0.000 0.961 607 N HN 0.579 nan 8.380 nan 0.000 0.446 608 S N 0.313 116.057 115.700 0.073 0.000 2.522 608 S HA 0.123 4.593 4.470 0.001 0.000 0.227 608 S C 1.007 175.645 174.600 0.064 0.000 0.986 608 S CA -0.333 57.905 58.200 0.064 0.000 0.929 608 S CB -0.300 62.936 63.200 0.060 0.000 0.769 608 S HN 0.198 nan 8.310 nan 0.000 0.529 609 L N 2.689 123.951 121.223 0.064 0.000 2.375 609 L HA 0.552 4.893 4.340 0.001 0.000 0.271 609 L C 0.295 177.141 176.870 -0.041 0.000 1.107 609 L CA -0.553 54.254 54.840 -0.055 0.000 0.806 609 L CB 1.287 43.192 42.059 -0.257 0.000 1.146 609 L HN 0.297 nan 8.230 nan 0.000 0.447 610 S N 0.451 116.057 115.700 -0.156 0.000 2.548 610 S HA 0.585 5.056 4.470 0.001 0.000 0.286 610 S C 0.525 175.041 174.600 -0.139 0.000 1.098 610 S CA -0.244 57.938 58.200 -0.029 0.000 0.930 610 S CB 1.907 65.122 63.200 0.026 0.000 1.070 610 S HN 0.701 nan 8.310 nan 0.000 0.480 611 A N 1.397 124.290 122.820 0.122 0.000 1.986 611 A HA -0.178 4.143 4.320 0.001 0.000 0.220 611 A C 1.775 179.397 177.584 0.062 0.000 1.171 611 A CA 2.019 54.152 52.037 0.160 0.000 0.640 611 A CB -1.035 18.126 19.000 0.269 0.000 0.811 611 A HN 0.990 nan 8.150 nan 0.000 0.451 612 D N -0.565 119.865 120.400 0.049 0.000 2.263 612 D HA -0.087 4.553 4.640 0.001 0.000 0.208 612 D C 1.788 178.100 176.300 0.020 0.000 0.971 612 D CA 1.270 55.294 54.000 0.039 0.000 0.867 612 D CB -0.164 40.659 40.800 0.038 0.000 0.929 612 D HN 0.429 nan 8.370 nan 0.000 0.492 613 G N 0.053 108.848 108.800 -0.007 0.000 2.880 613 G HA2 0.134 4.094 3.960 0.001 0.000 0.209 613 G HA3 0.134 4.094 3.960 0.001 0.000 0.209 613 G C 0.945 175.861 174.900 0.026 0.000 1.157 613 G CA -0.084 45.027 45.100 0.019 0.000 0.779 613 G HN 0.254 nan 8.290 nan 0.000 0.539 614 I N 1.497 122.046 120.570 -0.035 0.000 2.493 614 I HA 0.228 4.398 4.170 0.001 0.000 0.279 614 I C -0.911 175.243 176.117 0.062 0.000 1.045 614 I CA -0.722 60.582 61.300 0.006 0.000 1.106 614 I CB 2.274 40.193 38.000 -0.135 0.000 1.216 614 I HN -0.336 nan 8.210 nan 0.000 0.459 615 V N 6.709 126.622 119.914 -0.001 0.000 2.408 615 V HA 0.337 4.458 4.120 0.001 0.000 0.267 615 V C 0.354 176.462 176.094 0.024 0.000 1.047 615 V CA -0.142 62.090 62.300 -0.113 0.000 0.937 615 V CB 1.371 32.867 31.823 -0.544 0.000 0.999 615 V HN 0.430 nan 8.190 nan 0.000 0.472 616 I N 5.091 125.702 120.570 0.068 0.000 2.382 616 I HA 0.691 4.861 4.170 0.001 0.000 0.285 616 I C 0.328 176.491 176.117 0.077 0.000 1.007 616 I CA -0.039 61.325 61.300 0.106 0.000 1.142 616 I CB 1.277 39.371 38.000 0.158 0.000 1.289 616 I HN 0.676 nan 8.210 nan 0.000 0.453 617 A N 0.000 122.865 122.820 0.075 0.000 2.254 617 A HA 0.000 4.321 4.320 0.001 0.000 0.244 617 A CA 0.000 52.103 52.037 0.109 0.000 0.836 617 A CB 0.000 19.029 19.000 0.048 0.000 0.831 617 A HN 0.000 nan 8.150 nan 0.000 0.486