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 2z8x_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 SIVTKEPGFL WGLFKDDVTH 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 3.136 3.960 -1.373 0.000 0.244 2 G C 0.000 174.615 174.900 -0.475 0.000 0.946 2 G CA 0.000 44.740 45.100 -0.600 0.000 0.502 3 V N 0.430 119.873 119.914 -0.784 0.000 2.490 3 V HA -0.059 3.237 4.120 -1.373 0.000 0.250 3 V C 1.412 177.299 176.094 -0.345 0.000 1.061 3 V CA 1.660 63.602 62.300 -0.597 0.000 1.064 3 V CB -0.598 30.725 31.823 -0.833 0.000 0.670 3 V HN 0.636 nan 8.190 nan 0.000 0.461 4 Y N 0.159 120.461 120.300 0.004 0.000 2.625 4 Y HA 0.404 4.131 4.550 -1.373 0.000 0.285 4 Y C 0.606 176.615 175.900 0.181 0.000 1.168 4 Y CA -1.836 56.308 58.100 0.073 0.000 1.250 4 Y CB -0.851 37.545 38.460 -0.107 0.000 1.130 4 Y HN 0.258 nan 8.280 nan 0.000 0.526 5 D N 0.585 121.138 120.400 0.256 0.000 2.506 5 D HA -0.080 3.737 4.640 -1.373 0.000 0.234 5 D C -0.713 175.798 176.300 0.352 0.000 1.143 5 D CA 0.959 55.118 54.000 0.264 0.000 0.871 5 D CB 0.475 41.367 40.800 0.153 0.000 1.190 5 D HN 0.208 nan 8.370 nan 0.000 0.459 6 Y N 2.017 122.457 120.300 0.233 0.000 2.421 6 Y HA 0.214 3.941 4.550 -1.371 0.000 0.339 6 Y C 0.654 176.764 175.900 0.350 0.000 0.996 6 Y CA -0.753 57.505 58.100 0.263 0.000 1.046 6 Y CB 0.903 39.505 38.460 0.237 0.000 1.226 6 Y HN 0.451 nan 8.280 nan 0.000 0.445 7 K N 1.989 122.151 120.400 -0.395 0.000 1.931 7 K HA -0.391 3.106 4.320 -1.373 0.000 0.126 7 K C -0.170 176.357 176.600 -0.123 0.000 1.372 7 K CA 2.157 58.253 56.287 -0.318 0.000 0.483 7 K CB -0.805 31.447 32.500 -0.414 0.000 0.562 7 K HN 0.918 nan 8.250 nan 0.000 0.923 8 N N -0.097 118.482 118.700 -0.203 0.000 2.238 8 N HA 0.211 4.128 4.740 -1.373 0.000 0.222 8 N C -0.728 174.710 175.510 -0.119 0.000 1.133 8 N CA -0.426 52.539 53.050 -0.142 0.000 0.854 8 N CB 0.124 38.511 38.487 -0.167 0.000 1.041 8 N HN 0.101 nan 8.380 nan 0.000 0.510 9 F N 1.330 121.292 119.950 0.020 0.000 2.545 9 F HA 0.188 3.892 4.527 -1.372 0.000 0.348 9 F C 1.843 177.683 175.800 0.068 0.000 1.163 9 F CA -0.297 57.741 58.000 0.063 0.000 1.331 9 F CB 0.253 39.329 39.000 0.127 0.000 1.138 9 F HN -0.033 nan 8.300 nan 0.000 0.602 10 G N 1.056 110.017 108.800 0.269 0.000 2.683 10 G HA2 0.200 3.336 3.960 -1.373 0.000 0.260 10 G HA3 0.200 3.336 3.960 -1.373 0.000 0.260 10 G C 0.810 175.827 174.900 0.194 0.000 1.238 10 G CA -0.228 44.978 45.100 0.177 0.000 0.934 10 G HN 0.662 nan 8.290 nan 0.000 0.534 11 T N 0.949 115.598 114.554 0.159 0.000 2.635 11 T HA -0.183 3.344 4.350 -1.373 0.000 0.267 11 T C 2.790 177.587 174.700 0.162 0.000 1.040 11 T CA 2.146 64.359 62.100 0.189 0.000 1.156 11 T CB -0.441 68.534 68.868 0.178 0.000 0.863 11 T HN 0.641 nan 8.240 nan 0.000 0.430 12 A N 1.891 124.778 122.820 0.112 0.000 1.873 12 A HA -0.124 3.373 4.320 -1.373 0.000 0.215 12 A C 2.148 179.765 177.584 0.055 0.000 1.186 12 A CA 1.657 53.731 52.037 0.062 0.000 0.616 12 A CB -0.667 18.364 19.000 0.051 0.000 0.823 12 A HN 0.345 nan 8.150 nan 0.000 0.442 13 D N -0.048 120.406 120.400 0.091 0.000 2.144 13 D HA -0.073 3.743 4.640 -1.373 0.000 0.199 13 D C 2.250 178.540 176.300 -0.017 0.000 0.984 13 D CA 1.513 55.550 54.000 0.061 0.000 0.834 13 D CB -0.316 40.596 40.800 0.188 0.000 0.955 13 D HN 0.367 nan 8.370 nan 0.000 0.465 14 S N 0.393 116.144 115.700 0.084 0.000 2.382 14 S HA -0.112 3.535 4.470 -1.373 0.000 0.228 14 S C 1.799 176.462 174.600 0.106 0.000 1.027 14 S CA 0.880 59.144 58.200 0.106 0.000 0.991 14 S CB 0.043 63.401 63.200 0.262 0.000 0.823 14 S HN 0.287 nan 8.310 nan 0.000 0.469 15 K N 1.503 121.945 120.400 0.070 0.000 2.057 15 K HA -0.001 3.496 4.320 -1.373 0.000 0.207 15 K C 2.418 179.048 176.600 0.050 0.000 1.049 15 K CA 1.201 57.494 56.287 0.009 0.000 0.931 15 K CB -0.332 32.066 32.500 -0.169 0.000 0.714 15 K HN 0.323 nan 8.250 nan 0.000 0.440 16 A N 1.449 124.274 122.820 0.009 0.000 1.902 16 A HA -0.145 3.352 4.320 -1.373 0.000 0.217 16 A C 2.145 179.729 177.584 0.000 0.000 1.181 16 A CA 1.269 53.307 52.037 0.002 0.000 0.623 16 A CB -0.666 18.322 19.000 -0.021 0.000 0.818 16 A HN 0.161 nan 8.150 nan 0.000 0.443 17 L N -2.147 119.044 121.223 -0.053 0.000 2.017 17 L HA -0.177 3.340 4.340 -1.373 0.000 0.208 17 L C 2.480 179.313 176.870 -0.063 0.000 1.073 17 L CA 1.802 56.577 54.840 -0.107 0.000 0.745 17 L CB -0.504 41.399 42.059 -0.259 0.000 0.894 17 L HN 0.537 nan 8.230 nan 0.000 0.432 18 F N 0.313 120.182 119.950 -0.136 0.000 2.095 18 F HA -0.279 3.424 4.527 -1.374 0.000 0.298 18 F C 2.639 178.386 175.800 -0.089 0.000 1.104 18 F CA 1.943 59.858 58.000 -0.143 0.000 1.232 18 F CB -0.152 38.748 39.000 -0.166 0.000 0.987 18 F HN -0.054 nan 8.300 nan 0.000 0.475 19 S N 0.021 115.796 115.700 0.126 0.000 2.382 19 S HA -0.203 3.444 4.470 -1.373 0.000 0.228 19 S C 1.599 176.174 174.600 -0.041 0.000 1.027 19 S CA 1.402 59.629 58.200 0.045 0.000 0.991 19 S CB -0.441 62.813 63.200 0.089 0.000 0.823 19 S HN 0.461 nan 8.310 nan 0.000 0.469 20 D N 1.494 121.898 120.400 0.006 0.000 2.144 20 D HA 0.046 3.863 4.640 -1.373 0.000 0.200 20 D C 2.165 178.368 176.300 -0.162 0.000 0.978 20 D CA 1.091 55.142 54.000 0.086 0.000 0.833 20 D CB -0.385 40.591 40.800 0.293 0.000 0.961 20 D HN 0.364 nan 8.370 nan 0.000 0.470 21 A N 0.792 123.470 122.820 -0.237 0.000 1.902 21 A HA -0.201 3.295 4.320 -1.373 0.000 0.217 21 A C 2.151 179.585 177.584 -0.249 0.000 1.181 21 A CA 1.807 53.676 52.037 -0.280 0.000 0.623 21 A CB -0.522 18.292 19.000 -0.310 0.000 0.818 21 A HN 0.173 nan 8.150 nan 0.000 0.443 22 M N 0.250 119.617 119.600 -0.388 0.000 2.086 22 M HA -0.030 3.627 4.480 -1.373 0.000 0.261 22 M C 2.168 178.271 176.300 -0.328 0.000 1.067 22 M CA 1.756 56.747 55.300 -0.516 0.000 1.116 22 M CB -0.725 31.534 32.600 -0.568 0.000 1.348 22 M HN 0.378 nan 8.290 nan 0.000 0.407 23 A N 0.482 123.166 122.820 -0.227 0.000 1.877 23 A HA -0.141 3.356 4.320 -1.373 0.000 0.216 23 A C 2.177 179.637 177.584 -0.205 0.000 1.186 23 A CA 2.078 54.024 52.037 -0.152 0.000 0.620 23 A CB -1.421 17.557 19.000 -0.036 0.000 0.822 23 A HN 0.792 nan 8.150 nan 0.000 0.443 24 I N -3.412 116.948 120.570 -0.350 0.000 2.439 24 I HA -0.098 3.248 4.170 -1.373 0.000 0.251 24 I C 2.075 178.037 176.117 -0.258 0.000 1.139 24 I CA 1.944 63.009 61.300 -0.392 0.000 1.438 24 I CB -0.992 36.585 38.000 -0.704 0.000 1.085 24 I HN 0.102 nan 8.210 nan 0.000 0.427 25 T N 2.406 116.807 114.554 -0.255 0.000 2.708 25 T HA -0.041 3.486 4.350 -1.373 0.000 0.266 25 T C 2.012 176.602 174.700 -0.183 0.000 1.037 25 T CA 1.818 63.789 62.100 -0.215 0.000 1.146 25 T CB -0.396 68.351 68.868 -0.202 0.000 0.865 25 T HN 0.325 nan 8.240 nan 0.000 0.435 26 L N -0.248 120.872 121.223 -0.173 0.000 2.042 26 L HA -0.134 3.383 4.340 -1.373 0.000 0.210 26 L C 2.399 179.214 176.870 -0.091 0.000 1.076 26 L CA 1.603 56.385 54.840 -0.097 0.000 0.749 26 L CB -0.651 41.348 42.059 -0.100 0.000 0.893 26 L HN 0.275 nan 8.230 nan 0.000 0.432 27 Y N 1.271 121.423 120.300 -0.247 0.000 2.165 27 Y HA -0.332 3.396 4.550 -1.370 0.000 0.286 27 Y C 2.941 178.506 175.900 -0.557 0.000 1.155 27 Y CA 1.495 59.388 58.100 -0.346 0.000 1.164 27 Y CB -0.445 37.836 38.460 -0.299 0.000 0.978 27 Y HN 0.296 nan 8.280 nan 0.000 0.513 28 S N -1.358 114.028 115.700 -0.523 0.000 2.442 28 S HA -0.234 3.412 4.470 -1.373 0.000 0.236 28 S C 1.596 175.899 174.600 -0.495 0.000 1.007 28 S CA 1.295 59.150 58.200 -0.574 0.000 0.965 28 S CB -1.012 61.935 63.200 -0.422 0.000 0.773 28 S HN 0.530 nan 8.310 nan 0.000 0.504 29 Y N 1.212 121.321 120.300 -0.318 0.000 2.500 29 Y HA 0.234 3.974 4.550 -1.350 0.000 0.270 29 Y C 0.878 176.740 175.900 -0.063 0.000 1.134 29 Y CA 0.060 58.078 58.100 -0.137 0.000 1.293 29 Y CB -0.333 38.046 38.460 -0.135 0.000 1.063 29 Y HN 0.385 nan 8.280 nan 0.000 0.534 30 H N 0.291 119.318 119.070 -0.071 0.000 2.741 30 H HA -0.233 3.497 4.556 -1.375 0.000 0.305 30 H C 0.092 175.450 175.328 0.049 0.000 1.169 30 H CA 0.817 56.824 56.048 -0.068 0.000 1.144 30 H CB -1.655 28.048 29.762 -0.098 0.000 1.397 30 H HN 0.448 nan 8.280 nan 0.000 0.409 31 N N -1.183 117.581 118.700 0.106 0.000 2.776 31 N HA -0.201 3.715 4.740 -1.373 0.000 0.250 31 N C 1.455 177.039 175.510 0.124 0.000 1.112 31 N CA 0.883 53.988 53.050 0.092 0.000 0.733 31 N CB -1.131 37.403 38.487 0.077 0.000 1.097 31 N HN 0.401 nan 8.380 nan 0.000 0.558 32 L N 1.905 123.210 121.223 0.136 0.000 2.034 32 L HA -0.192 3.325 4.340 -1.373 0.000 0.217 32 L C 1.877 178.793 176.870 0.077 0.000 1.077 32 L CA 2.821 57.736 54.840 0.124 0.000 0.769 32 L CB -0.283 41.838 42.059 0.105 0.000 0.890 32 L HN 0.362 nan 8.230 nan 0.000 0.435 33 D N -2.119 118.279 120.400 -0.003 0.000 2.342 33 D HA -0.104 3.713 4.640 -1.373 0.000 0.221 33 D C 1.519 177.884 176.300 0.109 0.000 1.101 33 D CA 0.070 54.090 54.000 0.033 0.000 0.837 33 D CB -0.893 39.863 40.800 -0.074 0.000 0.938 33 D HN 0.434 nan 8.370 nan 0.000 0.508 34 N N 1.608 120.359 118.700 0.085 0.000 2.058 34 N HA -0.146 3.771 4.740 -1.373 0.000 0.191 34 N C 1.945 177.508 175.510 0.089 0.000 1.037 34 N CA 2.122 55.213 53.050 0.068 0.000 0.848 34 N CB -0.573 37.932 38.487 0.030 0.000 1.021 34 N HN 0.320 nan 8.380 nan 0.000 0.422 35 G N -0.166 108.698 108.800 0.107 0.000 2.418 35 G HA2 -0.245 2.891 3.960 -1.373 0.000 0.217 35 G HA3 -0.245 2.891 3.960 -1.373 0.000 0.217 35 G C 1.510 176.500 174.900 0.149 0.000 1.158 35 G CA 0.506 45.669 45.100 0.105 0.000 0.771 35 G HN 0.398 nan 8.290 nan 0.000 0.545 36 F N 2.272 122.272 119.950 0.083 0.000 2.102 36 F HA 0.060 4.681 4.527 0.158 0.000 0.298 36 F C 2.835 178.712 175.800 0.129 0.000 1.105 36 F CA 1.482 59.546 58.000 0.105 0.000 1.239 36 F CB -0.177 38.876 39.000 0.089 0.000 0.991 36 F HN 0.224 nan 8.300 nan 0.000 0.474 37 A N 0.262 123.240 122.820 0.262 0.000 1.933 37 A HA -0.103 3.394 4.320 -1.373 0.000 0.218 37 A C 2.356 180.027 177.584 0.144 0.000 1.175 37 A CA 1.779 53.930 52.037 0.189 0.000 0.628 37 A CB -1.528 17.558 19.000 0.143 0.000 0.814 37 A HN 0.496 nan 8.150 nan 0.000 0.444 38 A N -0.590 122.282 122.820 0.088 0.000 1.930 38 A HA 0.178 3.675 4.320 -1.373 0.000 0.217 38 A C 2.370 179.981 177.584 0.045 0.000 1.175 38 A CA 1.782 53.855 52.037 0.060 0.000 0.627 38 A CB -1.247 17.768 19.000 0.025 0.000 0.815 38 A HN 0.682 nan 8.150 nan 0.000 0.443 39 G N -1.453 107.343 108.800 -0.007 0.000 2.404 39 G HA2 -0.260 2.877 3.960 -1.373 0.000 0.215 39 G HA3 -0.260 2.877 3.960 -1.373 0.000 0.215 39 G C 1.550 176.435 174.900 -0.026 0.000 1.174 39 G CA 1.228 46.305 45.100 -0.039 0.000 0.780 39 G HN 0.612 nan 8.290 nan 0.000 0.537 40 Y N 1.086 121.260 120.300 -0.211 0.000 2.128 40 Y HA -0.202 3.526 4.550 -1.370 0.000 0.284 40 Y C 2.943 178.836 175.900 -0.012 0.000 1.154 40 Y CA 2.402 60.432 58.100 -0.116 0.000 1.149 40 Y CB -0.278 38.107 38.460 -0.124 0.000 0.976 40 Y HN 0.276 nan 8.280 nan 0.000 0.505 41 Q N -0.619 119.194 119.800 0.021 0.000 2.124 41 Q HA -0.224 3.293 4.340 -1.373 0.000 0.202 41 Q C 2.111 178.059 176.000 -0.087 0.000 0.977 41 Q CA 2.297 58.063 55.803 -0.061 0.000 0.850 41 Q CB -0.531 28.258 28.738 0.085 0.000 0.901 41 Q HN 0.745 nan 8.270 nan 0.000 0.429 42 H N -1.161 117.848 119.070 -0.101 0.000 2.372 42 H HA 0.140 3.869 4.556 -1.378 0.000 0.301 42 H C 0.915 176.185 175.328 -0.096 0.000 1.065 42 H CA 1.907 57.906 56.048 -0.082 0.000 1.364 42 H CB 0.233 29.965 29.762 -0.050 0.000 1.406 42 H HN 0.390 nan 8.280 nan 0.000 0.521 43 N N -0.859 117.807 118.700 -0.057 0.000 2.273 43 N HA 0.260 4.177 4.740 -1.373 0.000 0.192 43 N C 0.184 175.640 175.510 -0.090 0.000 1.132 43 N CA 0.257 53.268 53.050 -0.065 0.000 0.887 43 N CB 1.814 40.317 38.487 0.027 0.000 1.048 43 N HN 0.473 nan 8.380 nan 0.000 0.490 44 G N 1.060 109.746 108.800 -0.189 0.000 2.548 44 G HA2 -0.262 2.874 3.960 -1.373 0.000 0.208 44 G HA3 -0.262 2.874 3.960 -1.373 0.000 0.208 44 G C -0.861 174.129 174.900 0.151 0.000 1.308 44 G CA -0.486 44.527 45.100 -0.145 0.000 0.924 44 G HN 0.164 nan 8.290 nan 0.000 0.540 45 F N 2.307 122.352 119.950 0.159 0.000 2.735 45 F HA 0.496 4.115 4.527 -1.513 0.000 0.304 45 F C 1.945 178.001 175.800 0.428 0.000 1.119 45 F CA 0.741 58.926 58.000 0.308 0.000 1.280 45 F CB 0.066 39.255 39.000 0.316 0.000 0.994 45 F HN 0.802 nan 8.300 nan 0.000 0.520 46 G N 0.891 109.867 108.800 0.293 0.000 2.469 46 G HA2 -0.249 2.887 3.960 -1.373 0.000 0.220 46 G HA3 -0.249 2.887 3.960 -1.373 0.000 0.220 46 G C 1.492 176.484 174.900 0.154 0.000 1.136 46 G CA 0.989 46.221 45.100 0.220 0.000 0.759 46 G HN 0.422 nan 8.290 nan 0.000 0.562 47 L N 0.582 121.846 121.223 0.070 0.000 2.592 47 L HA 0.298 3.814 4.340 -1.373 0.000 0.227 47 L C 1.774 178.628 176.870 -0.026 0.000 1.127 47 L CA 0.109 54.975 54.840 0.044 0.000 0.884 47 L CB -0.437 41.655 42.059 0.055 0.000 1.065 47 L HN 0.475 nan 8.230 nan 0.000 0.457 48 G N 0.943 109.526 108.800 -0.363 0.000 2.569 48 G HA2 -0.327 2.809 3.960 -1.373 0.000 0.259 48 G HA3 -0.327 2.809 3.960 -1.373 0.000 0.259 48 G C -0.753 174.003 174.900 -0.239 0.000 1.263 48 G CA -0.108 44.484 45.100 -0.846 0.000 0.928 48 G HN 0.105 nan 8.290 nan 0.000 0.572 49 L N 2.018 123.258 121.223 0.028 0.000 2.381 49 L HA 0.621 4.138 4.340 -1.373 0.000 0.274 49 L C -1.901 175.006 176.870 0.061 0.000 0.988 49 L CA -1.889 53.069 54.840 0.197 0.000 0.824 49 L CB 2.327 44.520 42.059 0.224 0.000 1.263 49 L HN 0.634 nan 8.230 nan 0.000 0.410 50 P HA 0.194 nan 4.420 nan 0.000 0.278 50 P C 0.075 177.331 177.300 -0.073 0.000 1.238 50 P CA -0.456 62.648 63.100 0.007 0.000 0.794 50 P CB 1.720 33.446 31.700 0.044 0.000 0.955 51 A N 2.964 125.739 122.820 -0.076 0.000 1.978 51 A HA -0.183 3.313 4.320 -1.373 0.000 0.220 51 A C 1.987 179.496 177.584 -0.125 0.000 1.170 51 A CA 2.407 54.367 52.037 -0.129 0.000 0.636 51 A CB -1.862 17.078 19.000 -0.100 0.000 0.810 51 A HN 0.694 nan 8.150 nan 0.000 0.448 52 T N -1.906 112.604 114.554 -0.074 0.000 2.833 52 T HA -0.146 3.381 4.350 -1.373 0.000 0.269 52 T C 1.690 176.349 174.700 -0.068 0.000 1.054 52 T CA 1.442 63.509 62.100 -0.054 0.000 1.135 52 T CB -0.399 68.457 68.868 -0.019 0.000 0.869 52 T HN 0.236 nan 8.240 nan 0.000 0.466 53 L N 1.232 122.392 121.223 -0.105 0.000 2.072 53 L HA 0.143 3.660 4.340 -1.373 0.000 0.205 53 L C 2.599 179.396 176.870 -0.122 0.000 1.079 53 L CA 1.151 55.912 54.840 -0.132 0.000 0.752 53 L CB -0.729 41.170 42.059 -0.266 0.000 0.906 53 L HN 0.158 nan 8.230 nan 0.000 0.436 54 V N -0.173 119.612 119.914 -0.215 0.000 2.295 54 V HA -0.314 2.983 4.120 -1.373 0.000 0.246 54 V C 2.714 178.694 176.094 -0.189 0.000 1.049 54 V CA 2.242 64.331 62.300 -0.352 0.000 1.024 54 V CB -1.458 29.917 31.823 -0.747 0.000 0.648 54 V HN 0.744 nan 8.190 nan 0.000 0.447 55 T N -1.138 113.333 114.554 -0.139 0.000 2.867 55 T HA -0.092 3.434 4.350 -1.373 0.000 0.268 55 T C 1.908 176.618 174.700 0.016 0.000 1.057 55 T CA 1.392 63.460 62.100 -0.055 0.000 1.136 55 T CB -0.418 68.420 68.868 -0.050 0.000 0.874 55 T HN 0.460 nan 8.240 nan 0.000 0.466 56 A N 1.805 124.635 122.820 0.018 0.000 1.902 56 A HA 0.153 3.649 4.320 -1.373 0.000 0.217 56 A C 2.438 180.105 177.584 0.138 0.000 1.181 56 A CA 1.376 53.454 52.037 0.067 0.000 0.623 56 A CB -0.939 18.089 19.000 0.048 0.000 0.818 56 A HN 0.537 nan 8.150 nan 0.000 0.443 57 L N -0.842 120.472 121.223 0.152 0.000 2.046 57 L HA -0.166 3.350 4.340 -1.373 0.000 0.208 57 L C 2.497 179.562 176.870 0.325 0.000 1.077 57 L CA 1.083 56.096 54.840 0.289 0.000 0.747 57 L CB -0.428 41.843 42.059 0.355 0.000 0.896 57 L HN 0.364 nan 8.230 nan 0.000 0.432 58 L N -1.209 120.161 121.223 0.246 0.000 2.179 58 L HA 0.005 3.521 4.340 -1.373 0.000 0.208 58 L C 2.181 179.173 176.870 0.203 0.000 1.096 58 L CA 1.115 56.101 54.840 0.245 0.000 0.779 58 L CB -0.485 41.689 42.059 0.192 0.000 0.922 58 L HN 0.287 nan 8.230 nan 0.000 0.443 59 G N -1.451 107.444 108.800 0.158 0.000 3.079 59 G HA2 0.445 3.582 3.960 -1.373 0.000 0.233 59 G HA3 0.445 3.582 3.960 -1.373 0.000 0.233 59 G C 0.706 175.691 174.900 0.142 0.000 1.062 59 G CA 0.422 45.604 45.100 0.137 0.000 0.809 59 G HN 0.464 nan 8.290 nan 0.000 0.535 60 G N -0.468 108.425 108.800 0.156 0.000 2.760 60 G HA2 0.289 3.426 3.960 -1.373 0.000 0.246 60 G HA3 0.289 3.426 3.960 -1.373 0.000 0.246 60 G C -0.045 174.924 174.900 0.114 0.000 1.359 60 G CA 0.215 45.406 45.100 0.152 0.000 0.861 60 G HN 1.468 nan 8.290 nan 0.000 0.541 61 T N -2.974 111.644 114.554 0.106 0.000 2.804 61 T HA 0.731 4.258 4.350 -1.373 0.000 0.290 61 T C -1.275 173.455 174.700 0.050 0.000 1.099 61 T CA 0.332 62.471 62.100 0.065 0.000 1.011 61 T CB 2.650 71.551 68.868 0.056 0.000 1.291 61 T HN 1.808 nan 8.240 nan 0.000 0.523 62 D N -0.572 119.834 120.400 0.009 0.000 2.419 62 D HA 0.527 4.344 4.640 -1.373 0.000 0.219 62 D C -1.310 174.956 176.300 -0.057 0.000 1.349 62 D CA 0.061 54.053 54.000 -0.013 0.000 0.964 62 D CB 1.053 41.846 40.800 -0.010 0.000 1.463 62 D HN 0.881 nan 8.370 nan 0.000 0.573 63 S N 3.107 118.751 115.700 -0.093 0.000 2.715 63 S HA 0.210 3.856 4.470 -1.373 0.000 0.290 63 S C -1.571 172.963 174.600 -0.111 0.000 1.008 63 S CA -0.715 57.440 58.200 -0.076 0.000 0.850 63 S CB 0.797 63.983 63.200 -0.024 0.000 1.059 63 S HN 0.386 nan 8.310 nan 0.000 0.455 64 Q N 1.277 121.033 119.800 -0.074 0.000 3.060 64 Q HA 0.001 3.518 4.340 -1.373 0.000 0.114 64 Q C 0.423 176.087 176.000 -0.561 0.000 1.595 64 Q CA 2.162 57.899 55.803 -0.109 0.000 0.389 64 Q CB -1.182 27.666 28.738 0.183 0.000 0.684 64 Q HN 1.391 nan 8.270 nan 0.000 0.355 65 G N -0.467 107.657 108.800 -1.127 0.000 2.323 65 G HA2 0.316 3.452 3.960 -1.373 0.000 0.291 65 G HA3 0.316 3.452 3.960 -1.373 0.000 0.291 65 G C -0.718 173.613 174.900 -0.948 0.000 1.278 65 G CA -0.405 43.688 45.100 -1.678 0.000 0.860 65 G HN 0.850 nan 8.290 nan 0.000 0.504 66 V N -0.899 118.721 119.914 -0.490 0.000 2.614 66 V HA 0.748 4.045 4.120 -1.373 0.000 0.291 66 V C -0.093 175.945 176.094 -0.094 0.000 1.049 66 V CA -0.677 61.556 62.300 -0.113 0.000 1.038 66 V CB 0.879 32.712 31.823 0.018 0.000 0.980 66 V HN 0.701 nan 8.190 nan 0.000 0.481 67 I N 4.155 124.717 120.570 -0.014 0.000 2.608 67 I HA 0.587 3.933 4.170 -1.373 0.000 0.295 67 I C -2.562 173.575 176.117 0.033 0.000 1.049 67 I CA -3.020 58.278 61.300 -0.004 0.000 1.063 67 I CB 1.305 39.308 38.000 0.005 0.000 1.248 67 I HN 0.488 nan 8.210 nan 0.000 0.424 68 P HA 0.304 nan 4.420 nan 0.000 0.267 68 P C 0.841 178.175 177.300 0.057 0.000 1.205 68 P CA 0.621 63.745 63.100 0.041 0.000 0.765 68 P CB 0.624 32.339 31.700 0.025 0.000 0.828 69 G N 2.594 111.446 108.800 0.087 0.000 2.217 69 G HA2 -0.213 2.923 3.960 -1.373 0.000 0.246 69 G HA3 -0.213 2.923 3.960 -1.373 0.000 0.246 69 G C 0.059 175.076 174.900 0.195 0.000 0.990 69 G CA -0.259 44.915 45.100 0.124 0.000 0.627 69 G HN 0.515 nan 8.290 nan 0.000 0.522 70 I N 2.221 122.896 120.570 0.174 0.000 2.495 70 I HA 0.289 3.635 4.170 -1.373 0.000 0.277 70 I C -2.437 173.819 176.117 0.232 0.000 1.045 70 I CA -2.094 59.338 61.300 0.220 0.000 1.135 70 I CB 1.983 40.067 38.000 0.139 0.000 1.241 70 I HN -0.149 nan 8.210 nan 0.000 0.469 71 P HA -0.087 nan 4.420 nan 0.000 0.265 71 P C -1.097 176.372 177.300 0.280 0.000 1.193 71 P CA 0.150 63.382 63.100 0.219 0.000 0.765 71 P CB 0.347 32.141 31.700 0.157 0.000 0.823 72 W N 4.498 125.838 121.300 0.066 0.000 2.361 72 W HA 0.321 4.149 4.660 -1.388 0.000 0.314 72 W C -0.448 176.099 176.519 0.047 0.000 1.041 72 W CA -0.777 56.602 57.345 0.057 0.000 1.241 72 W CB 0.535 30.023 29.460 0.048 0.000 1.279 72 W HN 0.215 nan 8.180 nan 0.000 0.436 73 N N 7.545 126.002 118.700 -0.405 0.000 2.431 73 N HA 0.093 4.010 4.740 -1.373 0.000 0.265 73 N C -1.666 173.102 175.510 -1.236 0.000 1.184 73 N CA -1.327 51.389 53.050 -0.558 0.000 0.943 73 N CB 1.676 39.993 38.487 -0.284 0.000 1.080 73 N HN 0.222 nan 8.380 nan 0.000 0.477 74 P HA -0.034 nan 4.420 nan 0.000 0.222 74 P C -0.139 176.739 177.300 -0.704 0.000 1.147 74 P CA 1.099 63.326 63.100 -1.456 0.000 0.790 74 P CB 0.339 31.654 31.700 -0.641 0.000 0.780 75 D N -1.811 118.333 120.400 -0.427 0.000 2.358 75 D HA 0.105 3.921 4.640 -1.373 0.000 0.224 75 D C 1.438 177.667 176.300 -0.117 0.000 1.123 75 D CA 0.184 54.072 54.000 -0.187 0.000 0.833 75 D CB -0.082 40.645 40.800 -0.122 0.000 0.946 75 D HN 0.035 nan 8.370 nan 0.000 0.505 76 S N 1.021 116.619 115.700 -0.170 0.000 2.372 76 S HA -0.250 3.397 4.470 -1.373 0.000 0.227 76 S C 1.873 176.528 174.600 0.091 0.000 1.044 76 S CA 1.458 59.648 58.200 -0.017 0.000 1.050 76 S CB 0.098 63.346 63.200 0.079 0.000 0.901 76 S HN 0.269 nan 8.310 nan 0.000 0.447 77 E N 1.367 121.647 120.200 0.134 0.000 2.028 77 E HA -0.083 3.443 4.350 -1.373 0.000 0.191 77 E C 2.021 178.716 176.600 0.158 0.000 0.988 77 E CA 1.450 57.955 56.400 0.175 0.000 0.799 77 E CB -0.266 29.533 29.700 0.164 0.000 0.755 77 E HN 0.434 nan 8.360 nan 0.000 0.447 78 K N -0.151 120.311 120.400 0.103 0.000 2.097 78 K HA -0.110 3.386 4.320 -1.373 0.000 0.206 78 K C 2.243 178.888 176.600 0.076 0.000 1.049 78 K CA 1.228 57.565 56.287 0.084 0.000 0.933 78 K CB -0.208 32.321 32.500 0.049 0.000 0.717 78 K HN 0.162 nan 8.250 nan 0.000 0.442 79 L N 0.392 121.647 121.223 0.054 0.000 2.012 79 L HA -0.199 3.318 4.340 -1.373 0.000 0.210 79 L C 2.618 179.533 176.870 0.074 0.000 1.073 79 L CA 1.393 56.258 54.840 0.042 0.000 0.748 79 L CB -0.530 41.537 42.059 0.014 0.000 0.891 79 L HN 0.301 nan 8.230 nan 0.000 0.431 80 A N -0.315 122.574 122.820 0.116 0.000 1.902 80 A HA -0.214 3.282 4.320 -1.373 0.000 0.217 80 A C 2.178 179.918 177.584 0.259 0.000 1.181 80 A CA 1.605 53.744 52.037 0.171 0.000 0.623 80 A CB -0.673 18.418 19.000 0.151 0.000 0.818 80 A HN 0.313 nan 8.150 nan 0.000 0.443 81 L N 0.122 121.509 121.223 0.274 0.000 2.017 81 L HA -0.144 3.373 4.340 -1.373 0.000 0.208 81 L C 1.597 178.490 176.870 0.038 0.000 1.073 81 L CA 2.441 57.390 54.840 0.183 0.000 0.745 81 L CB -0.706 41.472 42.059 0.199 0.000 0.894 81 L HN 0.325 nan 8.230 nan 0.000 0.432 82 D N -0.196 120.236 120.400 0.053 0.000 2.144 82 D HA -0.147 3.670 4.640 -1.373 0.000 0.199 82 D C 2.184 178.492 176.300 0.013 0.000 0.984 82 D CA 1.454 55.467 54.000 0.022 0.000 0.834 82 D CB -0.152 40.662 40.800 0.023 0.000 0.955 82 D HN 0.498 nan 8.370 nan 0.000 0.465 83 A N 0.467 123.304 122.820 0.027 0.000 1.898 83 A HA -0.108 3.389 4.320 -1.373 0.000 0.216 83 A C 2.416 180.007 177.584 0.011 0.000 1.181 83 A CA 1.047 53.097 52.037 0.021 0.000 0.620 83 A CB -0.777 18.241 19.000 0.031 0.000 0.819 83 A HN 0.180 nan 8.150 nan 0.000 0.442 84 V N -0.036 119.864 119.914 -0.023 0.000 2.515 84 V HA -0.204 3.092 4.120 -1.373 0.000 0.250 84 V C 2.338 178.437 176.094 0.009 0.000 1.058 84 V CA 2.369 64.631 62.300 -0.064 0.000 1.064 84 V CB -0.500 31.103 31.823 -0.367 0.000 0.675 84 V HN 0.592 nan 8.190 nan 0.000 0.461 85 K N -0.204 120.176 120.400 -0.034 0.000 2.097 85 K HA -0.205 3.291 4.320 -1.373 0.000 0.205 85 K C 2.232 178.826 176.600 -0.010 0.000 1.050 85 K CA 1.577 57.855 56.287 -0.015 0.000 0.938 85 K CB -0.214 32.269 32.500 -0.027 0.000 0.718 85 K HN 0.365 nan 8.250 nan 0.000 0.442 86 K N 0.968 121.366 120.400 -0.003 0.000 2.103 86 K HA -0.119 3.377 4.320 -1.373 0.000 0.207 86 K C 1.797 178.395 176.600 -0.003 0.000 1.048 86 K CA 1.316 57.600 56.287 -0.006 0.000 0.930 86 K CB -0.051 32.449 32.500 0.000 0.000 0.716 86 K HN 0.117 nan 8.250 nan 0.000 0.444 87 A N -0.176 122.667 122.820 0.038 0.000 2.235 87 A HA 0.159 3.656 4.320 -1.373 0.000 0.208 87 A C 1.285 178.848 177.584 -0.036 0.000 1.172 87 A CA 0.972 53.054 52.037 0.075 0.000 0.786 87 A CB -0.280 18.838 19.000 0.196 0.000 0.804 87 A HN 0.585 nan 8.150 nan 0.000 0.479 88 G N -3.342 105.386 108.800 -0.120 0.000 2.168 88 G HA2 -0.205 2.932 3.960 -1.373 0.000 0.197 88 G HA3 -0.205 2.932 3.960 -1.373 0.000 0.197 88 G C -0.331 174.298 174.900 -0.452 0.000 0.997 88 G CA -0.201 44.699 45.100 -0.334 0.000 0.658 88 G HN 0.405 nan 8.290 nan 0.000 0.513 89 W N 0.391 121.651 121.300 -0.066 0.000 2.606 89 W HA 0.707 4.545 4.660 -1.370 0.000 0.332 89 W C 0.062 176.525 176.519 -0.093 0.000 1.052 89 W CA -0.642 56.655 57.345 -0.080 0.000 1.223 89 W CB 2.084 31.450 29.460 -0.157 0.000 1.383 89 W HN 0.074 nan 8.180 nan 0.000 0.524 90 T N 3.551 118.248 114.554 0.239 0.000 2.879 90 T HA 0.335 3.861 4.350 -1.373 0.000 0.290 90 T C -2.670 172.113 174.700 0.138 0.000 0.993 90 T CA -1.626 60.549 62.100 0.124 0.000 0.975 90 T CB 1.657 70.594 68.868 0.117 0.000 0.981 90 T HN -0.113 nan 8.240 nan 0.000 0.439 91 P HA 0.154 nan 4.420 nan 0.000 0.264 91 P C -0.524 176.847 177.300 0.120 0.000 1.183 91 P CA -0.044 63.113 63.100 0.096 0.000 0.763 91 P CB 0.301 32.071 31.700 0.116 0.000 0.807 92 I N 2.237 122.878 120.570 0.118 0.000 2.365 92 I HA 0.158 3.504 4.170 -1.373 0.000 0.291 92 I C 1.270 177.456 176.117 0.114 0.000 1.004 92 I CA -0.400 60.939 61.300 0.065 0.000 1.311 92 I CB 1.063 38.999 38.000 -0.108 0.000 1.401 92 I HN 0.339 nan 8.210 nan 0.000 0.491 93 T N 2.526 117.122 114.554 0.071 0.000 2.868 93 T HA 0.314 3.841 4.350 -1.373 0.000 0.292 93 T C 1.211 176.004 174.700 0.156 0.000 1.028 93 T CA -0.230 61.920 62.100 0.084 0.000 1.059 93 T CB 1.622 70.520 68.868 0.051 0.000 0.991 93 T HN 0.677 nan 8.240 nan 0.000 0.531 94 A N 1.604 124.536 122.820 0.188 0.000 1.940 94 A HA -0.061 3.436 4.320 -1.373 0.000 0.219 94 A C 2.703 180.413 177.584 0.210 0.000 1.176 94 A CA 2.213 54.451 52.037 0.335 0.000 0.631 94 A CB -1.479 17.727 19.000 0.343 0.000 0.814 94 A HN 0.967 nan 8.150 nan 0.000 0.446 95 S N -0.700 115.075 115.700 0.125 0.000 2.359 95 S HA -0.265 3.382 4.470 -1.373 0.000 0.224 95 S C 2.147 176.799 174.600 0.087 0.000 1.035 95 S CA 1.837 60.094 58.200 0.095 0.000 1.018 95 S CB -0.417 62.825 63.200 0.070 0.000 0.876 95 S HN 0.693 nan 8.310 nan 0.000 0.448 96 Q N 0.007 119.843 119.800 0.059 0.000 2.135 96 Q HA -0.009 3.507 4.340 -1.373 0.000 0.204 96 Q C 2.063 178.046 176.000 -0.028 0.000 0.981 96 Q CA 1.367 57.195 55.803 0.043 0.000 0.856 96 Q CB -0.236 28.493 28.738 -0.015 0.000 0.902 96 Q HN 0.530 nan 8.270 nan 0.000 0.425 97 L N -0.829 120.326 121.223 -0.114 0.000 2.554 97 L HA 0.111 3.628 4.340 -1.373 0.000 0.226 97 L C 1.054 177.978 176.870 0.091 0.000 1.137 97 L CA 0.292 55.064 54.840 -0.114 0.000 0.863 97 L CB -0.156 41.801 42.059 -0.170 0.000 0.985 97 L HN 0.383 nan 8.230 nan 0.000 0.451 98 G N 0.061 108.937 108.800 0.127 0.000 2.249 98 G HA2 -0.356 2.780 3.960 -1.373 0.000 0.273 98 G HA3 -0.356 2.780 3.960 -1.373 0.000 0.273 98 G C -0.124 174.884 174.900 0.180 0.000 1.036 98 G CA 0.045 45.226 45.100 0.135 0.000 0.824 98 G HN 0.359 nan 8.290 nan 0.000 0.504 99 Y N 0.877 121.224 120.300 0.078 0.000 2.327 99 Y HA 0.520 4.247 4.550 -1.372 0.000 0.336 99 Y C 0.802 176.770 175.900 0.113 0.000 1.035 99 Y CA -0.944 57.222 58.100 0.110 0.000 1.165 99 Y CB 1.179 39.747 38.460 0.180 0.000 1.181 99 Y HN 0.079 nan 8.280 nan 0.000 0.494 100 D N 3.299 123.501 120.400 -0.331 0.000 2.349 100 D HA 0.094 3.910 4.640 -1.373 0.000 0.215 100 D C 0.977 177.036 176.300 -0.403 0.000 1.016 100 D CA 0.577 54.416 54.000 -0.268 0.000 0.870 100 D CB 0.194 40.895 40.800 -0.165 0.000 0.917 100 D HN 0.777 nan 8.370 nan 0.000 0.524 101 G N 0.137 108.354 108.800 -0.972 0.000 2.510 101 G HA2 0.193 3.330 3.960 -1.373 0.000 0.280 101 G HA3 0.193 3.330 3.960 -1.373 0.000 0.280 101 G C -0.155 174.719 174.900 -0.044 0.000 1.386 101 G CA -0.552 44.200 45.100 -0.580 0.000 1.047 101 G HN -0.023 nan 8.290 nan 0.000 0.527 102 K N -0.191 120.321 120.400 0.186 0.000 2.276 102 K HA 0.433 3.930 4.320 -1.373 0.000 0.283 102 K C -0.236 176.540 176.600 0.294 0.000 1.044 102 K CA -0.200 56.202 56.287 0.192 0.000 0.944 102 K CB 0.459 33.032 32.500 0.121 0.000 1.012 102 K HN 0.591 nan 8.250 nan 0.000 0.472 103 T N 0.458 115.080 114.554 0.113 0.000 2.907 103 T HA 0.315 3.842 4.350 -1.373 0.000 0.292 103 T C -0.447 174.292 174.700 0.064 0.000 1.043 103 T CA -1.078 61.023 62.100 0.000 0.000 1.003 103 T CB 1.494 70.156 68.868 -0.344 0.000 1.084 103 T HN 0.658 nan 8.240 nan 0.000 0.483 104 D N 1.183 121.676 120.400 0.156 0.000 2.511 104 D HA 0.511 4.328 4.640 -1.373 0.000 0.276 104 D C 1.694 178.009 176.300 0.024 0.000 1.220 104 D CA -0.445 53.618 54.000 0.105 0.000 1.077 104 D CB 0.146 41.074 40.800 0.214 0.000 1.126 104 D HN 0.633 nan 8.370 nan 0.000 0.583 105 A N -0.543 122.286 122.820 0.015 0.000 1.972 105 A HA -0.163 3.334 4.320 -1.373 0.000 0.219 105 A C 2.162 179.748 177.584 0.005 0.000 1.169 105 A CA 1.277 53.317 52.037 0.004 0.000 0.635 105 A CB -0.640 18.362 19.000 0.003 0.000 0.810 105 A HN 0.528 nan 8.150 nan 0.000 0.446 106 R N -1.823 118.670 120.500 -0.011 0.000 2.240 106 R HA 0.170 3.687 4.340 -1.373 0.000 0.203 106 R C 1.368 177.690 176.300 0.036 0.000 1.011 106 R CA 0.623 56.722 56.100 -0.001 0.000 1.007 106 R CB -0.071 30.139 30.300 -0.150 0.000 0.911 106 R HN 0.704 nan 8.270 nan 0.000 0.468 107 G N 0.432 109.216 108.800 -0.028 0.000 2.157 107 G HA2 -0.250 2.887 3.960 -1.373 0.000 0.239 107 G HA3 -0.250 2.887 3.960 -1.373 0.000 0.239 107 G C 0.157 174.917 174.900 -0.233 0.000 0.982 107 G CA 0.154 45.188 45.100 -0.110 0.000 0.650 107 G HN 0.288 nan 8.290 nan 0.000 0.527 108 T N 1.177 115.638 114.554 -0.156 0.000 2.901 108 T HA 0.499 4.026 4.350 -1.373 0.000 0.301 108 T C 0.276 174.755 174.700 -0.368 0.000 1.012 108 T CA 0.348 62.312 62.100 -0.225 0.000 1.135 108 T CB 0.628 69.321 68.868 -0.291 0.000 0.936 108 T HN 0.212 nan 8.240 nan 0.000 0.539 109 F N 1.781 121.574 119.950 -0.262 0.000 2.399 109 F HA 0.622 4.325 4.527 -1.374 0.000 0.328 109 F C 0.097 175.771 175.800 -0.211 0.000 1.084 109 F CA -0.900 57.034 58.000 -0.110 0.000 1.053 109 F CB 0.886 39.757 39.000 -0.215 0.000 1.209 109 F HN 0.442 nan 8.300 nan 0.000 0.502 110 F N -0.065 120.157 119.950 0.453 0.000 2.579 110 F HA 0.626 4.328 4.527 -1.374 0.000 0.324 110 F C 0.744 176.801 175.800 0.427 0.000 1.058 110 F CA -1.153 57.096 58.000 0.416 0.000 0.944 110 F CB 1.225 40.365 39.000 0.232 0.000 1.245 110 F HN 0.534 nan 8.300 nan 0.000 0.477 111 G N 0.445 109.456 108.800 0.351 0.000 2.614 111 G HA2 0.235 3.371 3.960 -1.373 0.000 0.239 111 G HA3 0.235 3.371 3.960 -1.373 0.000 0.239 111 G C 0.101 175.026 174.900 0.042 0.000 1.240 111 G CA -0.216 44.801 45.100 -0.138 0.000 0.842 111 G HN 0.854 nan 8.290 nan 0.000 0.584 112 E N -0.196 119.966 120.200 -0.063 0.000 2.413 112 E HA 0.089 3.615 4.350 -1.373 0.000 0.203 112 E C 0.509 177.128 176.600 0.030 0.000 0.957 112 E CA 0.396 56.821 56.400 0.040 0.000 0.950 112 E CB 0.553 30.286 29.700 0.056 0.000 0.957 112 E HN 0.368 nan 8.360 nan 0.000 0.497 113 K N 0.605 121.017 120.400 0.020 0.000 2.340 113 K HA 0.583 4.079 4.320 -1.373 0.000 0.244 113 K C -0.781 175.918 176.600 0.165 0.000 0.973 113 K CA -0.850 55.482 56.287 0.074 0.000 0.828 113 K CB 1.984 34.502 32.500 0.029 0.000 1.226 113 K HN -0.043 nan 8.250 nan 0.000 0.437 114 A N 0.659 123.552 122.820 0.120 0.000 2.584 114 A HA 0.334 3.830 4.320 -1.373 0.000 0.239 114 A C 1.158 178.793 177.584 0.086 0.000 1.043 114 A CA 1.410 53.498 52.037 0.085 0.000 0.756 114 A CB -0.975 18.059 19.000 0.056 0.000 0.963 114 A HN 0.961 nan 8.150 nan 0.000 0.511 115 G N 0.916 109.685 108.800 -0.051 0.000 2.213 115 G HA2 -0.269 2.867 3.960 -1.373 0.000 0.236 115 G HA3 -0.269 2.867 3.960 -1.373 0.000 0.236 115 G C 0.260 174.813 174.900 -0.579 0.000 0.991 115 G CA 0.829 45.738 45.100 -0.317 0.000 0.629 115 G HN 1.046 nan 8.290 nan 0.000 0.517 116 Y N 0.460 120.734 120.300 -0.044 0.000 2.672 116 Y HA 0.259 3.986 4.550 -1.372 0.000 0.252 116 Y C 2.349 178.210 175.900 -0.065 0.000 1.132 116 Y CA 0.702 58.724 58.100 -0.130 0.000 1.228 116 Y CB 0.315 38.568 38.460 -0.346 0.000 1.310 116 Y HN 0.328 nan 8.280 nan 0.000 0.549 117 T N -3.551 111.066 114.554 0.105 0.000 3.072 117 T HA -0.120 3.406 4.350 -1.373 0.000 0.266 117 T C 1.653 176.476 174.700 0.205 0.000 1.127 117 T CA 1.492 63.670 62.100 0.130 0.000 1.107 117 T CB -0.419 68.496 68.868 0.078 0.000 0.910 117 T HN 0.383 nan 8.240 nan 0.000 0.513 118 T N -1.090 113.585 114.554 0.201 0.000 3.060 118 T HA 0.589 4.115 4.350 -1.373 0.000 0.249 118 T C 0.915 175.820 174.700 0.341 0.000 1.079 118 T CA -0.005 62.266 62.100 0.285 0.000 1.013 118 T CB -0.250 68.734 68.868 0.193 0.000 0.975 118 T HN 0.540 nan 8.240 nan 0.000 0.518 119 A N 1.405 124.404 122.820 0.298 0.000 2.498 119 A HA 0.512 4.009 4.320 -1.373 0.000 0.239 119 A C 0.086 177.930 177.584 0.433 0.000 1.068 119 A CA -0.241 52.010 52.037 0.357 0.000 0.766 119 A CB 0.166 19.323 19.000 0.262 0.000 1.003 119 A HN 0.646 nan 8.150 nan 0.000 0.497 120 Q N -0.211 119.817 119.800 0.381 0.000 2.413 120 Q HA 0.695 4.211 4.340 -1.373 0.000 0.276 120 Q C -1.339 174.696 176.000 0.059 0.000 1.099 120 Q CA -0.744 55.108 55.803 0.082 0.000 0.814 120 Q CB 2.622 31.261 28.738 -0.164 0.000 1.379 120 Q HN 0.632 nan 8.270 nan 0.000 0.436 121 V N 1.061 120.845 119.914 -0.218 0.000 2.932 121 V HA 0.368 3.665 4.120 -1.373 0.000 0.307 121 V C -1.659 174.268 176.094 -0.278 0.000 1.147 121 V CA -0.556 61.484 62.300 -0.434 0.000 0.951 121 V CB 2.338 33.556 31.823 -1.008 0.000 1.031 121 V HN 0.707 nan 8.190 nan 0.000 0.426 122 E N 5.755 125.779 120.200 -0.293 0.000 2.166 122 E HA 0.503 4.029 4.350 -1.373 0.000 0.275 122 E C -1.087 175.358 176.600 -0.260 0.000 0.941 122 E CA -0.574 55.758 56.400 -0.114 0.000 0.784 122 E CB 2.236 31.928 29.700 -0.012 0.000 1.115 122 E HN 0.463 nan 8.360 nan 0.000 0.399 123 I N 4.164 124.645 120.570 -0.147 0.000 2.382 123 I HA 0.351 3.698 4.170 -1.373 0.000 0.286 123 I C -0.288 175.775 176.117 -0.090 0.000 1.002 123 I CA -0.617 60.517 61.300 -0.276 0.000 1.135 123 I CB 0.540 38.230 38.000 -0.517 0.000 1.288 123 I HN 0.311 nan 8.210 nan 0.000 0.448 124 L N 5.034 126.202 121.223 -0.091 0.000 2.354 124 L HA 0.880 4.396 4.340 -1.373 0.000 0.264 124 L C 0.460 177.491 176.870 0.269 0.000 1.008 124 L CA -0.393 54.495 54.840 0.080 0.000 0.819 124 L CB 2.193 44.259 42.059 0.012 0.000 1.339 124 L HN 0.635 nan 8.230 nan 0.000 0.420 125 G N 0.362 109.367 108.800 0.341 0.000 2.495 125 G HA2 0.641 3.778 3.960 -1.373 0.000 0.318 125 G HA3 0.641 3.778 3.960 -1.373 0.000 0.318 125 G C -1.625 173.228 174.900 -0.078 0.000 1.257 125 G CA -0.493 44.684 45.100 0.128 0.000 0.962 125 G HN 0.487 nan 8.290 nan 0.000 0.483 126 K N 0.768 120.843 120.400 -0.543 0.000 2.221 126 K HA 0.636 4.133 4.320 -1.373 0.000 0.258 126 K C -1.491 174.699 176.600 -0.683 0.000 0.944 126 K CA -0.746 55.109 56.287 -0.720 0.000 0.823 126 K CB 1.319 33.107 32.500 -1.187 0.000 1.113 126 K HN 0.518 nan 8.250 nan 0.000 0.431 127 Y N 1.313 121.482 120.300 -0.218 0.000 2.499 127 Y HA 0.173 3.899 4.550 -1.373 0.000 0.347 127 Y C 0.035 175.857 175.900 -0.130 0.000 0.987 127 Y CA -1.039 56.986 58.100 -0.124 0.000 1.044 127 Y CB 1.420 39.826 38.460 -0.091 0.000 1.245 127 Y HN 0.762 nan 8.280 nan 0.000 0.461 128 D N 0.533 120.965 120.400 0.052 0.000 2.414 128 D HA 0.259 4.075 4.640 -1.373 0.000 0.251 128 D C 0.999 177.283 176.300 -0.027 0.000 1.252 128 D CA -0.191 53.809 54.000 -0.001 0.000 0.999 128 D CB 0.653 41.465 40.800 0.020 0.000 1.093 128 D HN 0.590 nan 8.370 nan 0.000 0.515 129 A N -0.803 121.990 122.820 -0.047 0.000 2.172 129 A HA -0.148 3.348 4.320 -1.373 0.000 0.216 129 A C 1.688 179.209 177.584 -0.105 0.000 1.154 129 A CA 0.940 52.938 52.037 -0.064 0.000 0.701 129 A CB -0.520 18.451 19.000 -0.049 0.000 0.789 129 A HN 0.447 nan 8.150 nan 0.000 0.465 130 Q N -1.475 118.224 119.800 -0.169 0.000 2.360 130 Q HA 0.191 3.708 4.340 -1.373 0.000 0.202 130 Q C 1.117 176.851 176.000 -0.444 0.000 0.915 130 Q CA 0.693 56.310 55.803 -0.309 0.000 0.943 130 Q CB 0.260 28.767 28.738 -0.385 0.000 1.064 130 Q HN 0.940 nan 8.270 nan 0.000 0.511 131 G N 1.132 109.770 108.800 -0.270 0.000 2.136 131 G HA2 -0.254 2.882 3.960 -1.373 0.000 0.242 131 G HA3 -0.254 2.882 3.960 -1.373 0.000 0.242 131 G C -0.339 174.567 174.900 0.009 0.000 0.989 131 G CA 0.042 45.050 45.100 -0.153 0.000 0.682 131 G HN 0.525 nan 8.290 nan 0.000 0.522 132 H N -0.822 118.331 119.070 0.138 0.000 2.580 132 H HA 0.486 4.218 4.556 -1.373 0.000 0.322 132 H C 0.608 176.007 175.328 0.119 0.000 1.082 132 H CA -0.948 55.172 56.048 0.119 0.000 1.383 132 H CB 1.535 31.315 29.762 0.031 0.000 1.450 132 H HN 0.233 nan 8.280 nan 0.000 0.505 133 L N 3.187 124.512 121.223 0.169 0.000 2.559 133 L HA -0.043 3.474 4.340 -1.373 0.000 0.274 133 L C 1.147 177.922 176.870 -0.159 0.000 1.205 133 L CA 0.854 55.557 54.840 -0.229 0.000 0.907 133 L CB 0.471 42.393 42.059 -0.228 0.000 1.153 133 L HN 0.951 nan 8.230 nan 0.000 0.490 134 T N 0.296 114.711 114.554 -0.232 0.000 2.964 134 T HA 0.301 3.827 4.350 -1.373 0.000 0.249 134 T C 0.459 175.080 174.700 -0.130 0.000 1.000 134 T CA -0.045 61.970 62.100 -0.142 0.000 0.992 134 T CB 0.090 68.887 68.868 -0.118 0.000 1.087 134 T HN 0.587 nan 8.240 nan 0.000 0.489 135 E N -0.235 119.859 120.200 -0.176 0.000 2.366 135 E HA 0.629 4.156 4.350 -1.373 0.000 0.278 135 E C -1.911 174.727 176.600 0.064 0.000 0.923 135 E CA -0.900 55.471 56.400 -0.047 0.000 0.761 135 E CB 2.362 32.023 29.700 -0.064 0.000 1.231 135 E HN 0.296 nan 8.360 nan 0.000 0.443 136 I N 1.892 122.567 120.570 0.174 0.000 2.474 136 I HA 0.512 3.858 4.170 -1.373 0.000 0.294 136 I C 0.153 176.344 176.117 0.123 0.000 1.005 136 I CA -0.692 60.730 61.300 0.203 0.000 1.113 136 I CB 2.119 40.211 38.000 0.153 0.000 1.289 136 I HN 0.530 nan 8.210 nan 0.000 0.436 137 G N 6.654 115.425 108.800 -0.050 0.000 2.416 137 G HA2 0.757 3.894 3.960 -1.373 0.000 0.324 137 G HA3 0.757 3.894 3.960 -1.373 0.000 0.324 137 G C -0.868 173.744 174.900 -0.481 0.000 1.194 137 G CA -0.396 44.393 45.100 -0.519 0.000 0.922 137 G HN 0.479 nan 8.290 nan 0.000 0.467 138 I N 1.952 122.193 120.570 -0.549 0.000 2.411 138 I HA 0.462 3.809 4.170 -1.373 0.000 0.284 138 I C 0.154 175.803 176.117 -0.780 0.000 1.012 138 I CA -0.765 60.113 61.300 -0.704 0.000 1.119 138 I CB 2.011 39.531 38.000 -0.799 0.000 1.261 138 I HN 0.529 nan 8.210 nan 0.000 0.448 139 A N 7.064 129.458 122.820 -0.709 0.000 2.293 139 A HA 0.699 4.196 4.320 -1.373 0.000 0.312 139 A C -0.855 176.416 177.584 -0.522 0.000 1.309 139 A CA -0.330 51.383 52.037 -0.541 0.000 0.839 139 A CB 0.135 18.902 19.000 -0.388 0.000 1.155 139 A HN 0.488 nan 8.150 nan 0.000 0.501 140 F N 1.305 121.098 119.950 -0.261 0.000 2.427 140 F HA 0.507 4.209 4.527 -1.375 0.000 0.352 140 F C 1.000 176.683 175.800 -0.194 0.000 1.100 140 F CA -0.023 57.849 58.000 -0.213 0.000 1.191 140 F CB 1.223 40.151 39.000 -0.120 0.000 1.128 140 F HN 0.605 nan 8.300 nan 0.000 0.533 141 R N 2.361 122.882 120.500 0.035 0.000 2.332 141 R HA 0.496 4.013 4.340 -1.373 0.000 0.306 141 R C -0.179 176.189 176.300 0.112 0.000 1.117 141 R CA -0.296 55.762 56.100 -0.070 0.000 1.108 141 R CB 0.328 30.529 30.300 -0.165 0.000 1.126 141 R HN 0.747 nan 8.270 nan 0.000 0.548 142 G N 1.783 110.650 108.800 0.112 0.000 2.467 142 G HA2 0.400 3.537 3.960 -1.373 0.000 0.257 142 G HA3 0.400 3.537 3.960 -1.373 0.000 0.257 142 G C -0.562 174.465 174.900 0.212 0.000 1.227 142 G CA -0.030 45.175 45.100 0.175 0.000 0.835 142 G HN 0.645 nan 8.290 nan 0.000 0.556 143 T N -2.302 112.444 114.554 0.320 0.000 2.901 143 T HA 0.516 4.043 4.350 -1.373 0.000 0.293 143 T C 1.236 176.135 174.700 0.333 0.000 1.084 143 T CA 0.125 62.396 62.100 0.285 0.000 1.008 143 T CB 1.656 70.675 68.868 0.252 0.000 1.170 143 T HN 0.710 nan 8.240 nan 0.000 0.509 144 S N -0.071 115.793 115.700 0.272 0.000 2.496 144 S HA 0.535 4.182 4.470 -1.373 0.000 0.224 144 S C 1.340 176.062 174.600 0.203 0.000 0.996 144 S CA 0.307 58.678 58.200 0.285 0.000 0.927 144 S CB -0.747 62.580 63.200 0.211 0.000 0.774 144 S HN 1.885 nan 8.310 nan 0.000 0.524 145 G N 1.017 109.903 108.800 0.144 0.000 2.278 145 G HA2 0.200 3.337 3.960 -1.373 0.000 0.265 145 G HA3 0.200 3.337 3.960 -1.373 0.000 0.265 145 G C -3.363 171.563 174.900 0.042 0.000 1.329 145 G CA -0.883 44.242 45.100 0.042 0.000 1.017 145 G HN 0.178 nan 8.290 nan 0.000 0.472 146 P HA 0.310 nan 4.420 nan 0.000 0.263 146 P C 0.964 178.278 177.300 0.023 0.000 1.195 146 P CA -0.025 63.084 63.100 0.015 0.000 0.762 146 P CB 0.593 32.290 31.700 -0.005 0.000 0.799 147 R N 2.285 122.806 120.500 0.035 0.000 2.133 147 R HA -0.230 3.286 4.340 -1.373 0.000 0.247 147 R C 1.423 177.731 176.300 0.013 0.000 1.151 147 R CA 1.703 57.822 56.100 0.033 0.000 0.971 147 R CB -0.240 30.080 30.300 0.034 0.000 0.866 147 R HN 0.531 nan 8.270 nan 0.000 0.447 148 E N 0.040 120.243 120.200 0.005 0.000 2.265 148 E HA -0.132 3.395 4.350 -1.373 0.000 0.196 148 E C 1.331 177.924 176.600 -0.010 0.000 0.996 148 E CA 0.833 57.231 56.400 -0.005 0.000 0.832 148 E CB -0.105 29.591 29.700 -0.007 0.000 0.756 148 E HN 0.293 nan 8.360 nan 0.000 0.491 149 N N -0.109 118.585 118.700 -0.010 0.000 2.396 149 N HA -0.037 3.880 4.740 -1.373 0.000 0.180 149 N C 1.262 176.760 175.510 -0.021 0.000 1.028 149 N CA 0.550 53.588 53.050 -0.019 0.000 0.893 149 N CB 0.016 38.488 38.487 -0.025 0.000 0.967 149 N HN 0.232 nan 8.380 nan 0.000 0.440 150 L N 0.624 121.839 121.223 -0.014 0.000 2.465 150 L HA 0.066 3.583 4.340 -1.373 0.000 0.224 150 L C 1.398 178.250 176.870 -0.030 0.000 1.145 150 L CA 0.628 55.456 54.840 -0.019 0.000 0.834 150 L CB -0.260 41.793 42.059 -0.009 0.000 0.944 150 L HN 0.198 nan 8.230 nan 0.000 0.451 151 I N -5.101 115.454 120.570 -0.025 0.000 4.009 151 I HA 0.087 3.434 4.170 -1.373 0.000 0.331 151 I C 1.422 177.524 176.117 -0.025 0.000 1.462 151 I CA -0.012 61.272 61.300 -0.027 0.000 1.117 151 I CB 0.148 38.134 38.000 -0.023 0.000 1.091 151 I HN -0.017 nan 8.210 nan 0.000 0.410 152 L N 0.803 122.011 121.223 -0.026 0.000 2.418 152 L HA 0.255 3.771 4.340 -1.373 0.000 0.218 152 L C 0.172 177.027 176.870 -0.026 0.000 1.125 152 L CA 0.803 55.628 54.840 -0.025 0.000 0.835 152 L CB -0.308 41.736 42.059 -0.026 0.000 0.953 152 L HN 0.371 nan 8.230 nan 0.000 0.454 153 D N -1.606 118.777 120.400 -0.029 0.000 2.636 153 D HA 0.212 4.028 4.640 -1.373 0.000 0.275 153 D C -0.410 175.873 176.300 -0.029 0.000 1.130 153 D CA -0.298 53.685 54.000 -0.028 0.000 1.031 153 D CB 1.496 42.276 40.800 -0.033 0.000 1.451 153 D HN -0.150 nan 8.370 nan 0.000 0.505 154 S N -0.009 115.676 115.700 -0.025 0.000 2.568 154 S HA -0.009 3.638 4.470 -1.373 0.000 0.282 154 S C 1.306 175.885 174.600 -0.034 0.000 1.338 154 S CA -0.486 57.699 58.200 -0.025 0.000 1.045 154 S CB 0.679 63.870 63.200 -0.015 0.000 0.873 154 S HN 0.465 nan 8.310 nan 0.000 0.516 155 I N 3.633 124.175 120.570 -0.047 0.000 2.194 155 I HA -0.024 3.323 4.170 -1.373 0.000 0.246 155 I C 2.236 178.319 176.117 -0.057 0.000 1.093 155 I CA 2.094 63.349 61.300 -0.074 0.000 1.355 155 I CB -1.274 36.657 38.000 -0.116 0.000 1.046 155 I HN 0.947 nan 8.210 nan 0.000 0.413 156 G N -0.365 108.418 108.800 -0.028 0.000 2.446 156 G HA2 -0.270 2.866 3.960 -1.373 0.000 0.217 156 G HA3 -0.270 2.866 3.960 -1.373 0.000 0.217 156 G C 1.435 176.342 174.900 0.010 0.000 1.168 156 G CA 1.013 46.116 45.100 0.006 0.000 0.771 156 G HN 0.383 nan 8.290 nan 0.000 0.551 157 D N 0.157 120.553 120.400 -0.006 0.000 2.144 157 D HA -0.086 3.731 4.640 -1.373 0.000 0.199 157 D C 2.773 179.055 176.300 -0.031 0.000 0.984 157 D CA 0.673 54.663 54.000 -0.017 0.000 0.834 157 D CB -0.389 40.397 40.800 -0.023 0.000 0.955 157 D HN 0.203 nan 8.370 nan 0.000 0.465 158 V N 1.199 121.093 119.914 -0.034 0.000 2.295 158 V HA -0.228 3.068 4.120 -1.373 0.000 0.246 158 V C 2.540 178.614 176.094 -0.033 0.000 1.049 158 V CA 1.202 63.476 62.300 -0.042 0.000 1.024 158 V CB -0.364 31.432 31.823 -0.045 0.000 0.648 158 V HN 0.171 nan 8.190 nan 0.000 0.447 159 I N 0.411 120.982 120.570 0.000 0.000 2.179 159 I HA -0.260 3.087 4.170 -1.373 0.000 0.242 159 I C 2.413 178.560 176.117 0.049 0.000 1.088 159 I CA 2.088 63.425 61.300 0.062 0.000 1.357 159 I CB -0.555 37.533 38.000 0.146 0.000 1.051 159 I HN 0.392 nan 8.210 nan 0.000 0.409 160 N N 1.024 119.753 118.700 0.048 0.000 2.069 160 N HA -0.226 3.690 4.740 -1.373 0.000 0.191 160 N C 1.474 176.948 175.510 -0.060 0.000 1.031 160 N CA 1.802 54.887 53.050 0.059 0.000 0.852 160 N CB -0.054 38.459 38.487 0.043 0.000 1.018 160 N HN 0.194 nan 8.380 nan 0.000 0.423 161 D N -0.133 120.203 120.400 -0.107 0.000 2.144 161 D HA -0.080 3.736 4.640 -1.373 0.000 0.200 161 D C 2.000 178.152 176.300 -0.247 0.000 0.978 161 D CA 0.560 54.457 54.000 -0.172 0.000 0.833 161 D CB -0.250 40.468 40.800 -0.136 0.000 0.961 161 D HN 0.328 nan 8.370 nan 0.000 0.470 162 L N 0.217 121.286 121.223 -0.255 0.000 2.017 162 L HA -0.144 3.372 4.340 -1.373 0.000 0.208 162 L C 2.564 178.911 176.870 -0.873 0.000 1.073 162 L CA 0.734 55.283 54.840 -0.485 0.000 0.745 162 L CB -0.391 41.486 42.059 -0.303 0.000 0.894 162 L HN 0.054 nan 8.230 nan 0.000 0.432 163 L N -0.335 120.614 121.223 -0.456 0.000 2.042 163 L HA -0.241 3.276 4.340 -1.373 0.000 0.210 163 L C 2.782 179.606 176.870 -0.076 0.000 1.076 163 L CA 1.336 56.042 54.840 -0.223 0.000 0.749 163 L CB -0.695 41.486 42.059 0.203 0.000 0.893 163 L HN 0.278 nan 8.230 nan 0.000 0.432 164 A N -0.497 122.231 122.820 -0.153 0.000 2.067 164 A HA -0.015 3.481 4.320 -1.373 0.000 0.219 164 A C 2.304 179.786 177.584 -0.171 0.000 1.158 164 A CA 1.447 53.336 52.037 -0.247 0.000 0.661 164 A CB -0.433 18.268 19.000 -0.499 0.000 0.801 164 A HN 0.417 nan 8.150 nan 0.000 0.452 165 A N -1.748 120.915 122.820 -0.262 0.000 2.195 165 A HA 0.364 3.860 4.320 -1.373 0.000 0.210 165 A C 1.509 179.073 177.584 -0.032 0.000 1.165 165 A CA 0.247 52.158 52.037 -0.210 0.000 0.806 165 A CB -0.448 18.358 19.000 -0.323 0.000 0.847 165 A HN 0.353 nan 8.150 nan 0.000 0.482 166 F N 0.449 120.437 119.950 0.063 0.000 2.186 166 F HA 0.024 3.725 4.527 -1.377 0.000 0.299 166 F C 2.441 178.370 175.800 0.215 0.000 1.090 166 F CA 0.680 58.810 58.000 0.217 0.000 1.307 166 F CB -1.134 37.975 39.000 0.181 0.000 1.019 166 F HN 0.270 nan 8.300 nan 0.000 0.489 167 G N -0.141 108.848 108.800 0.315 0.000 2.404 167 G HA2 -0.057 3.079 3.960 -1.373 0.000 0.213 167 G HA3 -0.057 3.079 3.960 -1.373 0.000 0.213 167 G C -1.667 173.334 174.900 0.168 0.000 1.189 167 G CA 0.116 45.343 45.100 0.212 0.000 0.796 167 G HN 0.165 nan 8.290 nan 0.000 0.532 168 P HA 0.151 nan 4.420 nan 0.000 0.265 168 P C -0.109 177.268 177.300 0.129 0.000 1.187 168 P CA 0.343 63.501 63.100 0.096 0.000 0.766 168 P CB 0.311 32.041 31.700 0.050 0.000 0.820 169 K N 1.650 122.110 120.400 0.099 0.000 3.016 169 K HA -0.271 3.226 4.320 -1.373 0.000 0.262 169 K C -0.210 176.469 176.600 0.131 0.000 1.043 169 K CA 0.791 57.139 56.287 0.102 0.000 0.761 169 K CB -1.790 30.769 32.500 0.099 0.000 1.230 169 K HN 0.557 nan 8.250 nan 0.000 0.485 170 D N -2.222 118.255 120.400 0.129 0.000 2.751 170 D HA -0.255 3.562 4.640 -1.373 0.000 0.233 170 D C 0.617 177.010 176.300 0.156 0.000 1.149 170 D CA 1.450 55.519 54.000 0.115 0.000 0.682 170 D CB -1.337 39.499 40.800 0.060 0.000 1.068 170 D HN 0.610 nan 8.370 nan 0.000 0.429 171 Y N 0.497 120.878 120.300 0.135 0.000 2.070 171 Y HA -0.192 3.534 4.550 -1.374 0.000 0.280 171 Y C 2.268 178.298 175.900 0.217 0.000 1.148 171 Y CA 2.890 61.112 58.100 0.202 0.000 1.125 171 Y CB -0.458 38.150 38.460 0.247 0.000 0.975 171 Y HN 0.144 nan 8.280 nan 0.000 0.492 172 A N 0.349 123.259 122.820 0.150 0.000 1.902 172 A HA -0.209 3.288 4.320 -1.373 0.000 0.217 172 A C 2.313 179.843 177.584 -0.090 0.000 1.181 172 A CA 1.906 53.906 52.037 -0.063 0.000 0.623 172 A CB -0.861 18.124 19.000 -0.025 0.000 0.818 172 A HN 0.559 nan 8.150 nan 0.000 0.443 173 K N -0.473 119.913 120.400 -0.024 0.000 2.063 173 K HA -0.192 3.305 4.320 -1.373 0.000 0.208 173 K C 1.018 177.592 176.600 -0.043 0.000 1.048 173 K CA 1.820 58.088 56.287 -0.031 0.000 0.928 173 K CB -0.160 32.337 32.500 -0.005 0.000 0.713 173 K HN 0.416 nan 8.250 nan 0.000 0.442 174 N N -0.331 118.337 118.700 -0.054 0.000 2.336 174 N HA -0.061 3.855 4.740 -1.373 0.000 0.189 174 N C 0.944 176.364 175.510 -0.150 0.000 1.113 174 N CA 0.183 53.182 53.050 -0.084 0.000 0.858 174 N CB -0.098 38.345 38.487 -0.073 0.000 0.970 174 N HN 0.268 nan 8.380 nan 0.000 0.471 175 Y N 1.508 121.620 120.300 -0.314 0.000 2.069 175 Y HA -0.299 3.428 4.550 -1.372 0.000 0.278 175 Y C 2.060 177.745 175.900 -0.359 0.000 1.175 175 Y CA 1.702 59.569 58.100 -0.388 0.000 1.134 175 Y CB -0.231 38.004 38.460 -0.375 0.000 0.965 175 Y HN -0.140 nan 8.280 nan 0.000 0.498 176 V N -0.105 119.792 119.914 -0.027 0.000 2.515 176 V HA -0.223 3.074 4.120 -1.373 0.000 0.250 176 V C 2.520 178.665 176.094 0.083 0.000 1.058 176 V CA 1.715 64.018 62.300 0.006 0.000 1.064 176 V CB -1.343 30.465 31.823 -0.024 0.000 0.675 176 V HN 0.669 nan 8.190 nan 0.000 0.461 177 G N -0.344 108.492 108.800 0.060 0.000 2.418 177 G HA2 -0.194 2.942 3.960 -1.373 0.000 0.217 177 G HA3 -0.194 2.942 3.960 -1.373 0.000 0.217 177 G C 1.482 176.301 174.900 -0.135 0.000 1.158 177 G CA 0.597 45.727 45.100 0.049 0.000 0.771 177 G HN 0.482 nan 8.290 nan 0.000 0.545 178 E N 0.877 120.836 120.200 -0.402 0.000 2.072 178 E HA 0.018 3.545 4.350 -1.373 0.000 0.190 178 E C 2.888 179.041 176.600 -0.744 0.000 0.982 178 E CA 1.045 57.056 56.400 -0.649 0.000 0.803 178 E CB -0.584 28.441 29.700 -1.125 0.000 0.755 178 E HN 0.358 nan 8.360 nan 0.000 0.453 179 A N 0.031 122.283 122.820 -0.946 0.000 1.897 179 A HA -0.032 3.464 4.320 -1.373 0.000 0.215 179 A C 1.127 178.183 177.584 -0.881 0.000 1.181 179 A CA 0.964 52.390 52.037 -1.018 0.000 0.620 179 A CB -0.151 18.035 19.000 -1.357 0.000 0.821 179 A HN 0.184 nan 8.150 nan 0.000 0.443 180 F N -1.260 118.673 119.950 -0.028 0.000 2.815 180 F HA 0.316 4.018 4.527 -1.375 0.000 0.323 180 F C 1.865 177.756 175.800 0.152 0.000 1.151 180 F CA -0.521 57.517 58.000 0.064 0.000 1.191 180 F CB -0.226 38.815 39.000 0.068 0.000 1.069 180 F HN 0.170 nan 8.300 nan 0.000 0.514 181 G N 0.732 109.721 108.800 0.315 0.000 2.469 181 G HA2 -0.277 2.860 3.960 -1.373 0.000 0.219 181 G HA3 -0.277 2.860 3.960 -1.373 0.000 0.219 181 G C 1.688 176.881 174.900 0.488 0.000 1.150 181 G CA 1.147 46.541 45.100 0.490 0.000 0.763 181 G HN 0.269 nan 8.290 nan 0.000 0.561 182 N N 0.138 119.026 118.700 0.313 0.000 2.207 182 N HA -0.047 3.870 4.740 -1.373 0.000 0.182 182 N C 2.144 177.824 175.510 0.285 0.000 1.020 182 N CA 0.922 54.144 53.050 0.286 0.000 0.858 182 N CB -0.293 38.336 38.487 0.237 0.000 0.991 182 N HN 0.253 nan 8.380 nan 0.000 0.427 183 L N 1.947 123.335 121.223 0.275 0.000 2.042 183 L HA -0.083 3.433 4.340 -1.373 0.000 0.210 183 L C 2.054 178.878 176.870 -0.077 0.000 1.076 183 L CA 1.368 56.232 54.840 0.040 0.000 0.749 183 L CB -0.724 41.225 42.059 -0.182 0.000 0.893 183 L HN 0.095 nan 8.230 nan 0.000 0.432 184 L N -0.441 120.740 121.223 -0.069 0.000 2.191 184 L HA -0.188 3.328 4.340 -1.373 0.000 0.212 184 L C 2.287 179.134 176.870 -0.038 0.000 1.103 184 L CA 0.836 55.510 54.840 -0.277 0.000 0.769 184 L CB -0.775 40.729 42.059 -0.924 0.000 0.908 184 L HN 0.383 nan 8.230 nan 0.000 0.438 185 N N 0.084 118.896 118.700 0.188 0.000 2.120 185 N HA -0.179 3.738 4.740 -1.373 0.000 0.188 185 N C 1.423 176.989 175.510 0.093 0.000 1.024 185 N CA 1.346 54.532 53.050 0.228 0.000 0.852 185 N CB -0.249 38.396 38.487 0.264 0.000 1.003 185 N HN 0.318 nan 8.380 nan 0.000 0.424 186 D N 0.270 120.722 120.400 0.087 0.000 2.144 186 D HA -0.058 3.758 4.640 -1.373 0.000 0.200 186 D C 2.058 178.370 176.300 0.021 0.000 0.978 186 D CA 0.433 54.473 54.000 0.066 0.000 0.833 186 D CB -0.200 40.667 40.800 0.111 0.000 0.961 186 D HN 0.020 nan 8.370 nan 0.000 0.470 187 V N 0.876 120.770 119.914 -0.033 0.000 2.343 187 V HA -0.211 3.085 4.120 -1.373 0.000 0.247 187 V C 2.689 178.777 176.094 -0.010 0.000 1.051 187 V CA 0.989 63.295 62.300 0.009 0.000 1.036 187 V CB -0.456 31.355 31.823 -0.020 0.000 0.654 187 V HN 0.053 nan 8.190 nan 0.000 0.451 188 V N 0.408 120.219 119.914 -0.172 0.000 2.287 188 V HA -0.299 2.997 4.120 -1.373 0.000 0.248 188 V C 2.726 178.532 176.094 -0.480 0.000 1.053 188 V CA 2.220 64.106 62.300 -0.691 0.000 1.027 188 V CB -1.220 30.196 31.823 -0.678 0.000 0.646 188 V HN 0.570 nan 8.190 nan 0.000 0.447 189 A N -0.569 122.137 122.820 -0.189 0.000 1.902 189 A HA -0.244 3.253 4.320 -1.373 0.000 0.217 189 A C 2.122 179.694 177.584 -0.021 0.000 1.181 189 A CA 2.080 54.063 52.037 -0.090 0.000 0.623 189 A CB -0.728 18.271 19.000 -0.001 0.000 0.818 189 A HN 0.538 nan 8.150 nan 0.000 0.443 190 F N 1.046 120.935 119.950 -0.102 0.000 2.102 190 F HA -0.061 3.643 4.527 -1.372 0.000 0.298 190 F C 2.513 178.279 175.800 -0.056 0.000 1.105 190 F CA 1.173 59.141 58.000 -0.054 0.000 1.239 190 F CB -0.545 38.434 39.000 -0.035 0.000 0.991 190 F HN 0.255 nan 8.300 nan 0.000 0.474 191 A N 0.525 123.288 122.820 -0.096 0.000 1.865 191 A HA -0.256 3.240 4.320 -1.373 0.000 0.217 191 A C 2.276 179.774 177.584 -0.144 0.000 1.191 191 A CA 2.183 54.144 52.037 -0.126 0.000 0.623 191 A CB -0.834 18.200 19.000 0.057 0.000 0.826 191 A HN 0.482 nan 8.150 nan 0.000 0.444 192 K N -0.478 119.827 120.400 -0.158 0.000 2.097 192 K HA -0.046 3.451 4.320 -1.373 0.000 0.206 192 K C 2.159 178.697 176.600 -0.103 0.000 1.049 192 K CA 1.061 57.293 56.287 -0.091 0.000 0.933 192 K CB -0.316 32.118 32.500 -0.110 0.000 0.717 192 K HN 0.454 nan 8.250 nan 0.000 0.442 193 A N 1.452 124.188 122.820 -0.140 0.000 2.121 193 A HA -0.105 3.391 4.320 -1.373 0.000 0.218 193 A C 1.382 178.864 177.584 -0.171 0.000 1.154 193 A CA 1.194 53.155 52.037 -0.128 0.000 0.679 193 A CB -0.150 18.791 19.000 -0.098 0.000 0.795 193 A HN 0.265 nan 8.150 nan 0.000 0.458 194 N N -1.099 117.450 118.700 -0.251 0.000 2.214 194 N HA 0.177 4.093 4.740 -1.373 0.000 0.214 194 N C 0.898 176.318 175.510 -0.150 0.000 1.132 194 N CA 0.741 53.649 53.050 -0.237 0.000 0.856 194 N CB 0.705 38.952 38.487 -0.399 0.000 1.020 194 N HN 0.545 nan 8.380 nan 0.000 0.509 195 G N 1.180 109.916 108.800 -0.106 0.000 2.143 195 G HA2 -0.256 2.880 3.960 -1.373 0.000 0.248 195 G HA3 -0.256 2.880 3.960 -1.373 0.000 0.248 195 G C -0.217 174.660 174.900 -0.038 0.000 0.991 195 G CA 0.076 45.137 45.100 -0.064 0.000 0.689 195 G HN 0.142 nan 8.290 nan 0.000 0.522 196 L N 1.113 122.321 121.223 -0.024 0.000 2.379 196 L HA 0.790 4.306 4.340 -1.373 0.000 0.269 196 L C 1.002 177.944 176.870 0.119 0.000 1.084 196 L CA 0.253 55.108 54.840 0.024 0.000 0.802 196 L CB 1.740 43.813 42.059 0.023 0.000 1.175 196 L HN 0.509 nan 8.230 nan 0.000 0.448 197 S N -0.469 115.246 115.700 0.025 0.000 2.806 197 S HA 0.600 4.247 4.470 -1.373 0.000 0.315 197 S C 1.016 175.341 174.600 -0.458 0.000 1.127 197 S CA -0.170 57.929 58.200 -0.167 0.000 0.918 197 S CB 0.912 64.001 63.200 -0.185 0.000 1.240 197 S HN 0.698 nan 8.310 nan 0.000 0.552 198 G N 0.970 109.161 108.800 -1.016 0.000 2.450 198 G HA2 -0.251 2.885 3.960 -1.373 0.000 0.220 198 G HA3 -0.251 2.885 3.960 -1.373 0.000 0.220 198 G C 1.244 176.014 174.900 -0.217 0.000 1.130 198 G CA 1.126 45.781 45.100 -0.741 0.000 0.760 198 G HN 0.929 nan 8.290 nan 0.000 0.557 199 K N 0.107 120.418 120.400 -0.148 0.000 2.442 199 K HA 0.008 3.504 4.320 -1.373 0.000 0.198 199 K C 0.776 177.400 176.600 0.040 0.000 1.042 199 K CA 1.356 57.643 56.287 -0.001 0.000 0.958 199 K CB 0.116 32.626 32.500 0.016 0.000 0.766 199 K HN 0.109 nan 8.250 nan 0.000 0.474 200 D N 1.330 121.731 120.400 0.002 0.000 2.328 200 D HA 0.058 3.875 4.640 -1.373 0.000 0.221 200 D C -0.397 175.936 176.300 0.054 0.000 1.072 200 D CA 0.135 54.154 54.000 0.031 0.000 0.850 200 D CB 0.647 41.458 40.800 0.017 0.000 0.922 200 D HN -0.001 nan 8.370 nan 0.000 0.516 201 V N 1.826 121.768 119.914 0.047 0.000 2.459 201 V HA 0.311 3.607 4.120 -1.373 0.000 0.295 201 V C -0.289 175.760 176.094 -0.076 0.000 1.029 201 V CA -0.970 61.355 62.300 0.041 0.000 0.874 201 V CB 2.296 34.218 31.823 0.166 0.000 0.985 201 V HN -0.064 nan 8.190 nan 0.000 0.438 202 L N 6.532 127.677 121.223 -0.129 0.000 2.313 202 L HA 0.762 4.279 4.340 -1.373 0.000 0.283 202 L C -0.644 176.007 176.870 -0.365 0.000 1.013 202 L CA -0.003 54.693 54.840 -0.241 0.000 0.816 202 L CB 1.820 43.772 42.059 -0.180 0.000 1.236 202 L HN 0.438 nan 8.230 nan 0.000 0.419 203 V N 4.575 124.234 119.914 -0.424 0.000 2.409 203 V HA 0.801 4.097 4.120 -1.373 0.000 0.291 203 V C -0.046 175.888 176.094 -0.266 0.000 1.020 203 V CA -0.199 61.866 62.300 -0.391 0.000 0.848 203 V CB 1.135 32.722 31.823 -0.394 0.000 0.990 203 V HN 0.920 nan 8.190 nan 0.000 0.430 204 S N 2.471 118.014 115.700 -0.261 0.000 2.819 204 S HA 1.002 4.649 4.470 -1.373 0.000 0.299 204 S C -0.413 174.135 174.600 -0.086 0.000 1.192 204 S CA 0.149 58.246 58.200 -0.171 0.000 0.847 204 S CB 2.068 65.144 63.200 -0.206 0.000 1.224 204 S HN 1.720 nan 8.310 nan 0.000 0.537 205 G N 0.606 109.400 108.800 -0.009 0.000 2.350 205 G HA2 0.313 3.450 3.960 -1.373 0.000 0.305 205 G HA3 0.313 3.450 3.960 -1.373 0.000 0.305 205 G C -2.044 172.926 174.900 0.116 0.000 1.479 205 G CA -0.702 44.412 45.100 0.023 0.000 0.949 205 G HN 0.874 nan 8.290 nan 0.000 0.651 206 H N 0.468 119.518 119.070 -0.033 0.000 2.690 206 H HA 0.769 4.498 4.556 -1.378 0.000 0.368 206 H C 0.722 176.073 175.328 0.039 0.000 1.150 206 H CA 0.874 56.917 56.048 -0.009 0.000 1.174 206 H CB 1.986 31.745 29.762 -0.005 0.000 1.684 206 H HN 1.649 nan 8.280 nan 0.000 0.538 207 S N 2.163 117.605 115.700 -0.430 0.000 4.118 207 S HA -0.285 3.362 4.470 -1.373 0.000 0.624 207 S C 1.642 176.229 174.600 -0.021 0.000 1.929 207 S CA 1.189 59.335 58.200 -0.090 0.000 4.219 207 S CB -1.300 62.040 63.200 0.233 0.000 0.206 207 S HN 0.671 nan 8.310 nan 0.000 0.525 208 L N 1.852 123.104 121.223 0.048 0.000 2.275 208 L HA 0.076 3.593 4.340 -1.373 0.000 0.215 208 L C 2.687 179.457 176.870 -0.166 0.000 1.119 208 L CA 1.347 56.128 54.840 -0.099 0.000 0.790 208 L CB -1.032 41.020 42.059 -0.013 0.000 0.919 208 L HN 0.740 nan 8.230 nan 0.000 0.443 209 G N 0.108 108.880 108.800 -0.046 0.000 2.422 209 G HA2 -0.168 2.969 3.960 -1.373 0.000 0.218 209 G HA3 -0.168 2.969 3.960 -1.373 0.000 0.218 209 G C 1.587 176.469 174.900 -0.030 0.000 1.140 209 G CA 0.707 45.801 45.100 -0.010 0.000 0.775 209 G HN 0.467 nan 8.290 nan 0.000 0.545 210 G N 0.807 109.570 108.800 -0.061 0.000 2.408 210 G HA2 -0.135 3.001 3.960 -1.373 0.000 0.217 210 G HA3 -0.135 3.001 3.960 -1.373 0.000 0.217 210 G C 1.742 176.565 174.900 -0.129 0.000 1.150 210 G CA 0.749 45.806 45.100 -0.072 0.000 0.776 210 G HN 0.444 nan 8.290 nan 0.000 0.542 211 L N 0.711 121.803 121.223 -0.217 0.000 2.042 211 L HA -0.052 3.464 4.340 -1.373 0.000 0.210 211 L C 3.110 179.761 176.870 -0.365 0.000 1.076 211 L CA 1.930 56.571 54.840 -0.332 0.000 0.749 211 L CB -0.267 41.473 42.059 -0.531 0.000 0.893 211 L HN 0.260 nan 8.230 nan 0.000 0.432 212 A N -0.732 121.833 122.820 -0.425 0.000 1.902 212 A HA -0.160 3.337 4.320 -1.373 0.000 0.217 212 A C 2.199 179.551 177.584 -0.385 0.000 1.181 212 A CA 1.883 53.610 52.037 -0.517 0.000 0.623 212 A CB -1.009 17.580 19.000 -0.685 0.000 0.818 212 A HN 0.355 nan 8.150 nan 0.000 0.443 213 V N 1.156 121.011 119.914 -0.098 0.000 2.287 213 V HA -0.305 2.991 4.120 -1.373 0.000 0.248 213 V C 2.307 178.406 176.094 0.009 0.000 1.053 213 V CA 2.181 64.547 62.300 0.109 0.000 1.027 213 V CB -0.951 30.945 31.823 0.122 0.000 0.646 213 V HN 0.596 nan 8.190 nan 0.000 0.447 214 N N -0.130 118.523 118.700 -0.078 0.000 2.166 214 N HA -0.169 3.747 4.740 -1.373 0.000 0.186 214 N C 2.171 177.605 175.510 -0.126 0.000 1.019 214 N CA 1.742 54.727 53.050 -0.109 0.000 0.856 214 N CB -0.201 38.225 38.487 -0.101 0.000 0.993 214 N HN 0.499 nan 8.380 nan 0.000 0.426 215 S N 1.333 116.951 115.700 -0.137 0.000 2.356 215 S HA -0.109 3.538 4.470 -1.373 0.000 0.223 215 S C 2.003 176.583 174.600 -0.033 0.000 1.032 215 S CA 0.911 59.053 58.200 -0.097 0.000 1.005 215 S CB -0.141 62.993 63.200 -0.110 0.000 0.867 215 S HN 0.262 nan 8.310 nan 0.000 0.449 216 M N 0.868 120.456 119.600 -0.020 0.000 2.108 216 M HA -0.077 3.580 4.480 -1.373 0.000 0.261 216 M C 2.145 178.476 176.300 0.051 0.000 1.066 216 M CA 1.739 57.120 55.300 0.135 0.000 1.107 216 M CB -0.523 32.212 32.600 0.226 0.000 1.356 216 M HN 0.485 nan 8.290 nan 0.000 0.406 217 A N 0.304 122.940 122.820 -0.306 0.000 1.883 217 A HA -0.221 3.275 4.320 -1.373 0.000 0.217 217 A C 1.722 179.175 177.584 -0.218 0.000 1.186 217 A CA 2.172 53.813 52.037 -0.661 0.000 0.624 217 A CB -1.050 17.428 19.000 -0.869 0.000 0.822 217 A HN 0.557 nan 8.150 nan 0.000 0.444 218 D N -0.145 120.180 120.400 -0.125 0.000 2.149 218 D HA -0.112 3.705 4.640 -1.373 0.000 0.198 218 D C 1.711 178.008 176.300 -0.004 0.000 0.990 218 D CA 1.119 55.087 54.000 -0.054 0.000 0.839 218 D CB -0.185 40.587 40.800 -0.047 0.000 0.948 218 D HN 0.482 nan 8.370 nan 0.000 0.460 219 L N 0.479 121.734 121.223 0.053 0.000 2.529 219 L HA 0.014 3.531 4.340 -1.373 0.000 0.223 219 L C 2.252 179.217 176.870 0.158 0.000 1.113 219 L CA 0.245 55.123 54.840 0.063 0.000 0.861 219 L CB -0.074 42.026 42.059 0.067 0.000 1.012 219 L HN -0.025 nan 8.230 nan 0.000 0.461 220 S N -0.334 115.531 115.700 0.275 0.000 2.447 220 S HA -0.076 3.570 4.470 -1.373 0.000 0.233 220 S C 1.970 176.742 174.600 0.287 0.000 1.006 220 S CA 0.859 59.323 58.200 0.440 0.000 0.957 220 S CB -0.523 62.948 63.200 0.452 0.000 0.773 220 S HN 0.400 nan 8.310 nan 0.000 0.507 221 G N 0.606 109.494 108.800 0.148 0.000 2.484 221 G HA2 0.323 3.460 3.960 -1.373 0.000 0.218 221 G HA3 0.323 3.460 3.960 -1.373 0.000 0.218 221 G C 1.124 176.063 174.900 0.065 0.000 1.130 221 G CA 0.481 45.638 45.100 0.096 0.000 0.784 221 G HN 0.663 nan 8.290 nan 0.000 0.543 222 G N -0.657 108.162 108.800 0.031 0.000 2.692 222 G HA2 0.249 3.385 3.960 -1.373 0.000 0.201 222 G HA3 0.249 3.385 3.960 -1.373 0.000 0.201 222 G C 0.690 175.529 174.900 -0.101 0.000 1.063 222 G CA -0.232 44.850 45.100 -0.031 0.000 0.790 222 G HN 0.303 nan 8.290 nan 0.000 0.599 223 K N -0.523 119.759 120.400 -0.196 0.000 2.168 223 K HA 0.322 3.819 4.320 -1.373 0.000 0.239 223 K C -0.105 176.396 176.600 -0.165 0.000 0.999 223 K CA -0.938 55.033 56.287 -0.527 0.000 0.900 223 K CB 1.044 32.712 32.500 -1.387 0.000 1.111 223 K HN 0.188 nan 8.250 nan 0.000 0.452 224 W N -0.034 121.366 121.300 0.167 0.000 5.271 224 W HA -0.208 3.629 4.660 -1.373 0.000 0.364 224 W C 0.712 177.312 176.519 0.134 0.000 1.342 224 W CA 1.069 58.526 57.345 0.187 0.000 0.899 224 W CB -2.589 27.102 29.460 0.385 0.000 2.450 224 W HN 1.128 nan 8.180 nan 0.000 1.508 225 G N -1.070 107.840 108.800 0.182 0.000 2.187 225 G HA2 0.030 3.167 3.960 -1.373 0.000 0.261 225 G HA3 0.030 3.167 3.960 -1.373 0.000 0.261 225 G C 1.301 176.301 174.900 0.167 0.000 1.000 225 G CA 1.508 46.692 45.100 0.140 0.000 0.718 225 G HN 1.821 nan 8.290 nan 0.000 0.519 226 G N -1.582 107.350 108.800 0.219 0.000 2.162 226 G HA2 -0.258 2.878 3.960 -1.373 0.000 0.260 226 G HA3 -0.258 2.878 3.960 -1.373 0.000 0.260 226 G C 0.985 176.010 174.900 0.208 0.000 0.976 226 G CA 1.040 46.266 45.100 0.208 0.000 0.655 226 G HN 1.502 nan 8.290 nan 0.000 0.533 227 F N 0.485 120.463 119.950 0.045 0.000 2.120 227 F HA 0.106 3.809 4.527 -1.373 0.000 0.300 227 F C 1.955 177.639 175.800 -0.192 0.000 1.095 227 F CA 2.152 60.047 58.000 -0.174 0.000 1.249 227 F CB -0.150 38.591 39.000 -0.431 0.000 0.995 227 F HN 0.166 nan 8.300 nan 0.000 0.480 228 F N -0.202 119.922 119.950 0.290 0.000 2.732 228 F HA 0.314 4.019 4.527 -1.371 0.000 0.303 228 F C 2.069 178.012 175.800 0.239 0.000 1.110 228 F CA 0.344 58.465 58.000 0.202 0.000 1.355 228 F CB -1.199 37.982 39.000 0.302 0.000 1.081 228 F HN 0.033 nan 8.300 nan 0.000 0.565 229 A N -0.214 122.786 122.820 0.300 0.000 1.978 229 A HA -0.181 3.316 4.320 -1.373 0.000 0.220 229 A C 1.584 179.304 177.584 0.226 0.000 1.170 229 A CA 1.936 54.121 52.037 0.247 0.000 0.636 229 A CB -0.408 18.678 19.000 0.142 0.000 0.810 229 A HN 0.191 nan 8.150 nan 0.000 0.448 230 D N -0.311 120.170 120.400 0.134 0.000 2.388 230 D HA 0.205 4.021 4.640 -1.373 0.000 0.221 230 D C 0.173 176.554 176.300 0.135 0.000 1.133 230 D CA 0.072 54.134 54.000 0.103 0.000 0.831 230 D CB 0.277 41.076 40.800 -0.002 0.000 0.962 230 D HN 0.244 nan 8.370 nan 0.000 0.502 231 S N 0.744 116.555 115.700 0.186 0.000 2.617 231 S HA 0.209 3.856 4.470 -1.373 0.000 0.259 231 S C 0.481 175.081 174.600 0.001 0.000 1.301 231 S CA -0.436 57.779 58.200 0.024 0.000 0.984 231 S CB 0.688 63.829 63.200 -0.098 0.000 0.954 231 S HN 0.144 nan 8.310 nan 0.000 0.572 232 N N 1.202 119.810 118.700 -0.154 0.000 2.437 232 N HA 0.291 4.207 4.740 -1.373 0.000 0.259 232 N C -1.711 173.590 175.510 -0.348 0.000 0.983 232 N CA -0.051 52.999 53.050 -0.001 0.000 0.937 232 N CB 0.874 39.362 38.487 0.001 0.000 1.122 232 N HN 0.476 nan 8.380 nan 0.000 0.499 233 Y N 1.930 122.218 120.300 -0.021 0.000 2.345 233 Y HA 0.493 4.219 4.550 -1.374 0.000 0.331 233 Y C 0.192 175.940 175.900 -0.253 0.000 0.959 233 Y CA -0.598 57.449 58.100 -0.088 0.000 1.204 233 Y CB 1.253 39.742 38.460 0.049 0.000 1.135 233 Y HN 0.295 nan 8.280 nan 0.000 0.477 234 I N 3.527 123.958 120.570 -0.231 0.000 2.411 234 I HA 0.636 3.982 4.170 -1.373 0.000 0.284 234 I C -0.479 175.380 176.117 -0.429 0.000 1.012 234 I CA -0.789 60.281 61.300 -0.383 0.000 1.119 234 I CB 1.430 39.115 38.000 -0.525 0.000 1.261 234 I HN 0.640 nan 8.210 nan 0.000 0.448 235 A N 6.322 128.915 122.820 -0.378 0.000 2.318 235 A HA 0.769 4.265 4.320 -1.373 0.000 0.324 235 A C -1.452 175.860 177.584 -0.455 0.000 1.170 235 A CA -0.313 51.546 52.037 -0.297 0.000 0.810 235 A CB 0.574 19.516 19.000 -0.097 0.000 1.198 235 A HN 0.570 nan 8.150 nan 0.000 0.484 236 Y N 1.099 121.310 120.300 -0.149 0.000 2.341 236 Y HA 0.473 4.201 4.550 -1.371 0.000 0.337 236 Y C 1.022 176.712 175.900 -0.351 0.000 1.014 236 Y CA 0.247 58.188 58.100 -0.265 0.000 1.111 236 Y CB 1.822 40.079 38.460 -0.340 0.000 1.194 236 Y HN 1.318 nan 8.280 nan 0.000 0.462 237 A N 1.876 124.580 122.820 -0.193 0.000 2.822 237 A HA -0.229 3.268 4.320 -1.373 0.000 0.287 237 A C 0.615 178.259 177.584 0.100 0.000 1.479 237 A CA 0.850 52.843 52.037 -0.074 0.000 0.779 237 A CB -1.836 16.874 19.000 -0.484 0.000 1.022 237 A HN 0.588 nan 8.150 nan 0.000 0.532 238 S N 0.075 115.888 115.700 0.188 0.000 2.548 238 S HA 0.488 4.134 4.470 -1.373 0.000 0.277 238 S C -0.257 174.381 174.600 0.063 0.000 1.315 238 S CA -0.780 57.460 58.200 0.066 0.000 1.050 238 S CB 0.747 63.959 63.200 0.019 0.000 0.918 238 S HN 0.400 nan 8.310 nan 0.000 0.497 239 P HA 0.042 nan 4.420 nan 0.000 0.225 239 P C 0.487 177.740 177.300 -0.078 0.000 1.156 239 P CA 0.661 63.730 63.100 -0.051 0.000 0.787 239 P CB -0.273 31.443 31.700 0.027 0.000 0.802 240 T N -2.787 111.714 114.554 -0.088 0.000 2.950 240 T HA 0.637 4.163 4.350 -1.373 0.000 0.288 240 T C -0.616 174.041 174.700 -0.071 0.000 1.035 240 T CA -0.690 61.362 62.100 -0.081 0.000 1.028 240 T CB 1.722 70.527 68.868 -0.105 0.000 1.109 240 T HN -0.189 nan 8.240 nan 0.000 0.514 241 Q N 1.160 120.926 119.800 -0.058 0.000 2.337 241 Q HA 0.568 4.084 4.340 -1.373 0.000 0.270 241 Q C -0.096 175.880 176.000 -0.041 0.000 1.043 241 Q CA -0.756 55.022 55.803 -0.043 0.000 0.794 241 Q CB 2.013 30.730 28.738 -0.036 0.000 1.281 241 Q HN 0.950 nan 8.270 nan 0.000 0.446 242 S N 0.544 116.216 115.700 -0.046 0.000 2.580 242 S HA 0.100 3.747 4.470 -1.373 0.000 0.266 242 S C 0.307 174.887 174.600 -0.034 0.000 1.354 242 S CA -0.251 57.918 58.200 -0.052 0.000 1.008 242 S CB 0.636 63.787 63.200 -0.082 0.000 0.898 242 S HN 0.518 nan 8.310 nan 0.000 0.555 243 S N 0.838 116.519 115.700 -0.031 0.000 2.631 243 S HA 0.139 3.786 4.470 -1.373 0.000 0.217 243 S C 0.960 175.547 174.600 -0.020 0.000 0.958 243 S CA 0.251 58.439 58.200 -0.020 0.000 0.920 243 S CB -0.624 62.568 63.200 -0.015 0.000 0.776 243 S HN 0.986 nan 8.310 nan 0.000 0.517 244 T N 0.354 114.890 114.554 -0.031 0.000 2.884 244 T HA 0.341 3.867 4.350 -1.373 0.000 0.277 244 T C 0.046 174.739 174.700 -0.011 0.000 0.976 244 T CA -0.628 61.456 62.100 -0.028 0.000 0.956 244 T CB 1.039 69.874 68.868 -0.055 0.000 1.113 244 T HN 0.101 nan 8.240 nan 0.000 0.554 245 D N -1.439 118.960 120.400 -0.001 0.000 2.525 245 D HA 0.187 4.003 4.640 -1.373 0.000 0.229 245 D C 0.765 177.086 176.300 0.035 0.000 1.202 245 D CA -0.422 53.586 54.000 0.013 0.000 0.828 245 D CB 0.034 40.834 40.800 -0.000 0.000 1.008 245 D HN 0.649 nan 8.370 nan 0.000 0.493 246 K N -0.408 120.021 120.400 0.049 0.000 2.354 246 K HA 0.179 3.675 4.320 -1.373 0.000 0.194 246 K C 0.002 176.780 176.600 0.297 0.000 1.038 246 K CA 0.105 56.474 56.287 0.138 0.000 1.052 246 K CB 1.427 33.962 32.500 0.057 0.000 0.861 246 K HN 0.004 nan 8.250 nan 0.000 0.535 247 V N 2.574 122.602 119.914 0.190 0.000 2.398 247 V HA 0.192 3.489 4.120 -1.373 0.000 0.286 247 V C -0.731 175.499 176.094 0.227 0.000 1.026 247 V CA -1.004 61.421 62.300 0.207 0.000 0.868 247 V CB 1.487 33.348 31.823 0.063 0.000 0.982 247 V HN 0.068 nan 8.190 nan 0.000 0.443 248 L N 5.358 126.723 121.223 0.236 0.000 2.295 248 L HA 0.440 3.957 4.340 -1.373 0.000 0.288 248 L C 0.044 176.953 176.870 0.065 0.000 1.079 248 L CA 0.292 55.243 54.840 0.185 0.000 0.830 248 L CB 0.140 42.310 42.059 0.186 0.000 1.200 248 L HN 0.640 nan 8.230 nan 0.000 0.438 249 N N 3.870 122.649 118.700 0.130 0.000 2.500 249 N HA 0.378 4.294 4.740 -1.373 0.000 0.236 249 N C -1.120 174.554 175.510 0.273 0.000 1.022 249 N CA -0.348 52.806 53.050 0.174 0.000 0.935 249 N CB 1.150 39.772 38.487 0.224 0.000 1.147 249 N HN 0.389 nan 8.380 nan 0.000 0.512 250 V N 1.405 121.351 119.914 0.054 0.000 2.472 250 V HA 0.872 4.168 4.120 -1.373 0.000 0.290 250 V C 0.740 176.614 176.094 -0.366 0.000 1.037 250 V CA -0.496 61.813 62.300 0.014 0.000 0.908 250 V CB 1.334 33.190 31.823 0.056 0.000 0.985 250 V HN 0.725 nan 8.190 nan 0.000 0.454 251 G N 2.612 110.929 108.800 -0.805 0.000 2.576 251 G HA2 0.516 3.652 3.960 -1.373 0.000 0.290 251 G HA3 0.516 3.652 3.960 -1.373 0.000 0.290 251 G C -2.058 172.454 174.900 -0.648 0.000 1.442 251 G CA -0.645 43.686 45.100 -1.283 0.000 0.792 251 G HN 0.299 nan 8.290 nan 0.000 0.491 252 Y N 0.768 120.930 120.300 -0.230 0.000 2.319 252 Y HA 0.278 4.004 4.550 -1.375 0.000 0.328 252 Y C 1.831 177.837 175.900 0.178 0.000 1.133 252 Y CA -0.156 57.897 58.100 -0.078 0.000 1.265 252 Y CB 1.768 40.109 38.460 -0.199 0.000 1.218 252 Y HN 0.858 nan 8.280 nan 0.000 0.508 253 E N 2.290 122.709 120.200 0.366 0.000 2.118 253 E HA -0.269 3.258 4.350 -1.373 0.000 0.195 253 E C 0.969 177.705 176.600 0.227 0.000 0.992 253 E CA 1.671 58.267 56.400 0.326 0.000 0.804 253 E CB 0.059 29.903 29.700 0.239 0.000 0.741 253 E HN 0.822 nan 8.360 nan 0.000 0.458 254 N N 0.732 119.537 118.700 0.175 0.000 2.322 254 N HA -0.081 3.836 4.740 -1.373 0.000 0.194 254 N C -0.382 175.326 175.510 0.331 0.000 1.126 254 N CA 0.174 53.322 53.050 0.163 0.000 0.845 254 N CB 0.035 38.606 38.487 0.141 0.000 0.976 254 N HN 0.022 nan 8.380 nan 0.000 0.475 255 D N 2.332 122.942 120.400 0.349 0.000 2.336 255 D HA 0.138 3.954 4.640 -1.373 0.000 0.249 255 D C -1.485 175.005 176.300 0.317 0.000 1.213 255 D CA -2.136 52.060 54.000 0.327 0.000 0.870 255 D CB 1.701 42.778 40.800 0.462 0.000 1.076 255 D HN 0.051 nan 8.370 nan 0.000 0.483 256 P HA -0.084 nan 4.420 nan 0.000 0.233 256 P C 1.275 178.586 177.300 0.018 0.000 1.167 256 P CA 0.231 63.368 63.100 0.063 0.000 0.770 256 P CB 0.549 32.012 31.700 -0.394 0.000 0.837 257 V N -0.622 119.111 119.914 -0.302 0.000 2.488 257 V HA -0.062 3.235 4.120 -1.373 0.000 0.246 257 V C 1.382 177.466 176.094 -0.017 0.000 1.046 257 V CA 0.486 62.565 62.300 -0.368 0.000 1.053 257 V CB -1.197 30.056 31.823 -0.949 0.000 0.679 257 V HN -0.010 nan 8.190 nan 0.000 0.458 258 F N 2.447 122.412 119.950 0.025 0.000 2.541 258 F HA 0.328 4.030 4.527 -1.374 0.000 0.378 258 F C 1.260 177.139 175.800 0.130 0.000 1.068 258 F CA -0.707 57.354 58.000 0.102 0.000 1.199 258 F CB -0.590 38.536 39.000 0.210 0.000 1.091 258 F HN 0.171 nan 8.300 nan 0.000 0.555 259 R N 2.407 122.658 120.500 -0.415 0.000 3.878 259 R HA -0.239 3.278 4.340 -1.373 0.000 0.330 259 R C 1.157 177.165 176.300 -0.487 0.000 1.186 259 R CA 0.561 56.394 56.100 -0.445 0.000 0.885 259 R CB -2.193 27.781 30.300 -0.542 0.000 1.377 259 R HN 0.687 nan 8.270 nan 0.000 0.523 260 A N 0.532 122.987 122.820 -0.608 0.000 1.972 260 A HA 0.019 3.515 4.320 -1.373 0.000 0.219 260 A C 1.064 178.336 177.584 -0.521 0.000 1.169 260 A CA 0.961 52.425 52.037 -0.954 0.000 0.635 260 A CB 0.083 18.786 19.000 -0.495 0.000 0.810 260 A HN 0.270 nan 8.150 nan 0.000 0.446 261 L N -0.744 120.313 121.223 -0.276 0.000 2.334 261 L HA 0.383 3.899 4.340 -1.373 0.000 0.272 261 L C -0.755 176.043 176.870 -0.121 0.000 1.020 261 L CA -0.895 53.858 54.840 -0.145 0.000 0.812 261 L CB 1.447 43.507 42.059 0.002 0.000 1.264 261 L HN 0.035 nan 8.230 nan 0.000 0.439 262 D N 1.110 121.466 120.400 -0.074 0.000 2.456 262 D HA 0.437 4.254 4.640 -1.373 0.000 0.219 262 D C 0.704 176.992 176.300 -0.020 0.000 1.126 262 D CA 0.905 54.875 54.000 -0.050 0.000 0.890 262 D CB 0.756 41.535 40.800 -0.034 0.000 1.025 262 D HN 0.706 nan 8.370 nan 0.000 0.511 263 G N 3.476 112.259 108.800 -0.028 0.000 2.950 263 G HA2 -0.324 2.812 3.960 -1.373 0.000 0.299 263 G HA3 -0.324 2.812 3.960 -1.373 0.000 0.299 263 G C 0.717 175.617 174.900 0.001 0.000 1.310 263 G CA 0.707 45.799 45.100 -0.013 0.000 0.994 263 G HN 1.101 nan 8.290 nan 0.000 0.575 264 S N -0.681 115.040 115.700 0.036 0.000 2.819 264 S HA 0.505 4.151 4.470 -1.373 0.000 0.249 264 S C 0.319 174.993 174.600 0.124 0.000 1.030 264 S CA 1.055 59.308 58.200 0.089 0.000 1.052 264 S CB 0.755 64.023 63.200 0.113 0.000 1.017 264 S HN 0.950 nan 8.310 nan 0.000 0.576 265 T N 3.084 117.688 114.554 0.084 0.000 2.794 265 T HA 0.385 3.911 4.350 -1.373 0.000 0.296 265 T C -0.639 174.130 174.700 0.116 0.000 0.949 265 T CA -0.244 61.919 62.100 0.105 0.000 1.101 265 T CB 0.228 69.138 68.868 0.070 0.000 0.905 265 T HN 0.384 nan 8.240 nan 0.000 0.516 266 F N 4.403 124.365 119.950 0.020 0.000 2.504 266 F HA 0.371 4.073 4.527 -1.375 0.000 0.369 266 F C 1.062 176.868 175.800 0.009 0.000 1.082 266 F CA -0.064 57.940 58.000 0.007 0.000 1.216 266 F CB 0.455 39.453 39.000 -0.002 0.000 1.108 266 F HN 0.632 nan 8.300 nan 0.000 0.554 267 T N 1.261 115.677 114.554 -0.229 0.000 2.883 267 T HA 0.460 3.987 4.350 -1.373 0.000 0.284 267 T C 1.051 175.663 174.700 -0.147 0.000 1.041 267 T CA -0.330 61.724 62.100 -0.078 0.000 1.007 267 T CB 1.213 70.041 68.868 -0.065 0.000 1.220 267 T HN 0.578 nan 8.240 nan 0.000 0.552 268 G N -0.609 108.185 108.800 -0.009 0.000 2.586 268 G HA2 0.232 3.368 3.960 -1.373 0.000 0.215 268 G HA3 0.232 3.368 3.960 -1.373 0.000 0.215 268 G C 1.192 176.084 174.900 -0.014 0.000 1.128 268 G CA 0.534 45.646 45.100 0.021 0.000 0.774 268 G HN 1.125 nan 8.290 nan 0.000 0.543 269 A N -0.187 122.600 122.820 -0.056 0.000 2.252 269 A HA 0.422 3.919 4.320 -1.373 0.000 0.213 269 A C 2.389 179.977 177.584 0.008 0.000 1.188 269 A CA 1.097 53.139 52.037 0.007 0.000 0.863 269 A CB 0.029 19.057 19.000 0.047 0.000 0.893 269 A HN 0.181 nan 8.150 nan 0.000 0.495 270 S N 0.080 115.624 115.700 -0.260 0.000 2.383 270 S HA -0.154 3.492 4.470 -1.373 0.000 0.229 270 S C 1.622 176.143 174.600 -0.131 0.000 1.030 270 S CA 1.860 59.814 58.200 -0.410 0.000 1.002 270 S CB -0.364 62.180 63.200 -1.092 0.000 0.829 270 S HN 0.991 nan 8.310 nan 0.000 0.467 271 V N -1.407 118.466 119.914 -0.069 0.000 3.444 271 V HA 0.607 3.903 4.120 -1.373 0.000 0.308 271 V C 0.695 176.858 176.094 0.116 0.000 1.371 271 V CA 0.250 62.594 62.300 0.074 0.000 1.141 271 V CB -0.195 31.706 31.823 0.130 0.000 1.037 271 V HN 0.290 nan 8.190 nan 0.000 0.433 272 G N -0.062 108.833 108.800 0.158 0.000 3.264 272 G HA2 0.543 3.679 3.960 -1.373 0.000 0.168 272 G HA3 0.543 3.679 3.960 -1.373 0.000 0.168 272 G C -0.732 174.317 174.900 0.249 0.000 1.145 272 G CA -0.469 44.743 45.100 0.187 0.000 0.855 272 G HN 0.115 nan 8.290 nan 0.000 0.629 273 V N 1.535 121.554 119.914 0.174 0.000 2.488 273 V HA 0.357 3.654 4.120 -1.373 0.000 0.277 273 V C -0.510 175.554 176.094 -0.050 0.000 1.046 273 V CA -0.166 62.123 62.300 -0.018 0.000 0.986 273 V CB 0.566 32.335 31.823 -0.090 0.000 0.989 273 V HN 0.805 nan 8.190 nan 0.000 0.475 274 H N 0.329 119.436 119.070 0.063 0.000 2.380 274 H HA 0.492 4.223 4.556 -1.375 0.000 0.231 274 H C -0.420 174.896 175.328 -0.020 0.000 1.415 274 H CA -0.761 55.288 56.048 0.002 0.000 1.433 274 H CB 0.174 29.921 29.762 -0.026 0.000 1.544 274 H HN 0.494 nan 8.280 nan 0.000 0.503 275 D N 1.444 121.855 120.400 0.018 0.000 2.501 275 D HA 0.288 4.105 4.640 -1.373 0.000 0.226 275 D C 0.453 176.771 176.300 0.030 0.000 1.198 275 D CA -0.269 53.740 54.000 0.016 0.000 0.830 275 D CB 0.041 40.828 40.800 -0.022 0.000 1.014 275 D HN 0.700 nan 8.370 nan 0.000 0.496 276 A N 1.111 123.948 122.820 0.029 0.000 2.462 276 A HA 0.431 3.927 4.320 -1.373 0.000 0.243 276 A C -2.153 175.444 177.584 0.022 0.000 1.076 276 A CA -0.884 51.166 52.037 0.023 0.000 0.773 276 A CB -0.013 18.997 19.000 0.016 0.000 1.010 276 A HN 0.162 nan 8.150 nan 0.000 0.493 277 P HA 0.168 nan 4.420 nan 0.000 0.266 277 P C -0.670 176.640 177.300 0.018 0.000 1.195 277 P CA 0.451 63.572 63.100 0.035 0.000 0.768 277 P CB 0.366 32.090 31.700 0.041 0.000 0.838 278 K N 2.001 122.412 120.400 0.019 0.000 2.443 278 K HA 0.128 3.625 4.320 -1.373 0.000 0.252 278 K C 0.852 177.470 176.600 0.030 0.000 0.933 278 K CA -0.649 55.642 56.287 0.007 0.000 0.792 278 K CB 1.963 34.446 32.500 -0.030 0.000 1.185 278 K HN 0.356 nan 8.250 nan 0.000 0.425 279 E N 1.499 121.715 120.200 0.026 0.000 2.085 279 E HA -0.174 3.352 4.350 -1.373 0.000 0.194 279 E C 1.194 177.828 176.600 0.057 0.000 0.994 279 E CA 2.113 58.534 56.400 0.036 0.000 0.801 279 E CB 0.221 29.935 29.700 0.024 0.000 0.743 279 E HN 0.640 nan 8.360 nan 0.000 0.453 280 S N -0.587 115.147 115.700 0.057 0.000 2.522 280 S HA 0.265 3.912 4.470 -1.373 0.000 0.227 280 S C 0.715 175.393 174.600 0.129 0.000 0.986 280 S CA 0.204 58.457 58.200 0.087 0.000 0.929 280 S CB 0.190 63.431 63.200 0.069 0.000 0.769 280 S HN 0.345 nan 8.310 nan 0.000 0.529 281 A N 2.036 124.934 122.820 0.129 0.000 2.340 281 A HA 0.647 4.143 4.320 -1.373 0.000 0.331 281 A C 0.258 177.987 177.584 0.242 0.000 1.140 281 A CA -0.551 51.618 52.037 0.220 0.000 0.801 281 A CB 0.809 19.895 19.000 0.143 0.000 1.234 281 A HN 0.447 nan 8.150 nan 0.000 0.469 282 T N -0.124 114.631 114.554 0.334 0.000 2.738 282 T HA 0.260 3.787 4.350 -1.373 0.000 0.293 282 T C -0.332 174.568 174.700 0.334 0.000 0.913 282 T CA -0.304 61.956 62.100 0.266 0.000 1.103 282 T CB 0.474 69.488 68.868 0.244 0.000 0.880 282 T HN 0.483 nan 8.240 nan 0.000 0.526 283 D N 2.520 123.058 120.400 0.230 0.000 2.350 283 D HA 0.031 3.847 4.640 -1.373 0.000 0.213 283 D C 0.478 176.915 176.300 0.229 0.000 1.031 283 D CA 0.162 54.303 54.000 0.235 0.000 0.861 283 D CB 0.339 41.230 40.800 0.151 0.000 0.926 283 D HN 0.586 nan 8.370 nan 0.000 0.520 284 N N 0.572 119.379 118.700 0.177 0.000 2.536 284 N HA 0.173 4.089 4.740 -1.373 0.000 0.286 284 N C -0.346 175.197 175.510 0.056 0.000 1.577 284 N CA -0.073 53.047 53.050 0.117 0.000 0.883 284 N CB 1.662 40.172 38.487 0.038 0.000 1.390 284 N HN 0.107 nan 8.380 nan 0.000 0.491 285 I N 1.389 122.038 120.570 0.132 0.000 2.297 285 I HA 0.256 3.603 4.170 -1.373 0.000 0.291 285 I C 0.058 176.302 176.117 0.212 0.000 1.033 285 I CA -0.707 60.679 61.300 0.144 0.000 1.253 285 I CB 1.294 39.378 38.000 0.139 0.000 1.396 285 I HN -0.327 nan 8.210 nan 0.000 0.476 286 V N 5.105 125.082 119.914 0.105 0.000 2.439 286 V HA 0.161 3.457 4.120 -1.373 0.000 0.282 286 V C 0.520 176.491 176.094 -0.204 0.000 1.039 286 V CA -0.403 61.856 62.300 -0.067 0.000 0.913 286 V CB 1.696 33.419 31.823 -0.165 0.000 0.983 286 V HN 0.777 nan 8.190 nan 0.000 0.460 287 S N 5.232 120.598 115.700 -0.556 0.000 2.411 287 S HA 0.331 3.977 4.470 -1.373 0.000 0.304 287 S C -0.456 173.853 174.600 -0.485 0.000 1.098 287 S CA -0.493 57.214 58.200 -0.822 0.000 1.068 287 S CB -0.480 61.870 63.200 -1.417 0.000 1.032 287 S HN 0.531 nan 8.310 nan 0.000 0.511 288 F N 7.239 126.978 119.950 -0.353 0.000 2.566 288 F HA 0.300 4.007 4.527 -1.367 0.000 0.349 288 F C 0.417 176.206 175.800 -0.019 0.000 1.245 288 F CA -0.546 57.357 58.000 -0.162 0.000 1.169 288 F CB -0.226 38.756 39.000 -0.031 0.000 1.470 288 F HN 0.703 nan 8.300 nan 0.000 0.634 289 N N 1.014 119.632 118.700 -0.136 0.000 2.592 289 N HA 0.249 4.165 4.740 -1.373 0.000 0.292 289 N C 0.341 175.868 175.510 0.029 0.000 1.260 289 N CA -0.745 52.309 53.050 0.006 0.000 0.910 289 N CB 0.399 38.811 38.487 -0.126 0.000 1.257 289 N HN 0.095 nan 8.380 nan 0.000 0.569 290 D N -1.645 118.867 120.400 0.188 0.000 2.178 290 D HA -0.186 3.630 4.640 -1.373 0.000 0.201 290 D C 1.285 177.701 176.300 0.194 0.000 0.980 290 D CA 1.233 55.360 54.000 0.211 0.000 0.842 290 D CB -0.312 40.690 40.800 0.337 0.000 0.948 290 D HN 0.621 nan 8.370 nan 0.000 0.472 291 H N -0.603 118.438 119.070 -0.048 0.000 2.299 291 H HA -0.166 3.568 4.556 -1.370 0.000 0.302 291 H C 1.960 177.327 175.328 0.066 0.000 1.078 291 H CA 1.289 57.306 56.048 -0.053 0.000 1.323 291 H CB -0.493 29.076 29.762 -0.322 0.000 1.381 291 H HN 0.205 nan 8.280 nan 0.000 0.498 292 Y N 1.144 121.455 120.300 0.017 0.000 2.207 292 Y HA -0.202 3.521 4.550 -1.378 0.000 0.287 292 Y C 2.626 178.373 175.900 -0.256 0.000 1.156 292 Y CA 1.982 60.016 58.100 -0.109 0.000 1.182 292 Y CB -0.501 37.799 38.460 -0.266 0.000 0.979 292 Y HN 0.303 nan 8.280 nan 0.000 0.521 293 A N -1.115 121.547 122.820 -0.264 0.000 2.119 293 A HA 0.048 3.545 4.320 -1.373 0.000 0.216 293 A C 1.358 178.919 177.584 -0.039 0.000 1.152 293 A CA 0.760 52.654 52.037 -0.239 0.000 0.708 293 A CB -0.621 18.303 19.000 -0.126 0.000 0.805 293 A HN 0.299 nan 8.150 nan 0.000 0.460 294 S N -0.696 115.011 115.700 0.013 0.000 2.475 294 S HA 0.331 3.977 4.470 -1.373 0.000 0.281 294 S C 1.188 175.804 174.600 0.026 0.000 1.198 294 S CA 0.060 58.317 58.200 0.094 0.000 1.063 294 S CB 0.760 64.143 63.200 0.304 0.000 0.972 294 S HN 0.375 nan 8.310 nan 0.000 0.486 295 T N 5.068 119.630 114.554 0.013 0.000 2.708 295 T HA -0.088 3.438 4.350 -1.373 0.000 0.266 295 T C 2.135 176.821 174.700 -0.023 0.000 1.037 295 T CA 1.669 63.764 62.100 -0.009 0.000 1.146 295 T CB -0.591 68.274 68.868 -0.005 0.000 0.865 295 T HN 0.799 nan 8.240 nan 0.000 0.435 296 A N 0.502 123.286 122.820 -0.060 0.000 1.883 296 A HA -0.121 3.376 4.320 -1.373 0.000 0.217 296 A C 2.098 179.595 177.584 -0.146 0.000 1.186 296 A CA 1.463 53.410 52.037 -0.150 0.000 0.624 296 A CB -1.278 17.561 19.000 -0.268 0.000 0.822 296 A HN 0.711 nan 8.150 nan 0.000 0.444 297 W N -0.178 121.082 121.300 -0.067 0.000 2.421 297 W HA -0.090 3.771 4.660 -1.333 0.000 0.270 297 W C 1.286 177.702 176.519 -0.172 0.000 1.233 297 W CA 1.087 58.351 57.345 -0.135 0.000 1.226 297 W CB -0.146 29.132 29.460 -0.304 0.000 1.121 297 W HN 0.400 nan 8.180 nan 0.000 0.579 298 N N -0.307 118.432 118.700 0.066 0.000 2.235 298 N HA 0.098 4.014 4.740 -1.373 0.000 0.209 298 N C 1.317 176.878 175.510 0.084 0.000 1.122 298 N CA -0.015 53.080 53.050 0.075 0.000 0.845 298 N CB -0.073 38.421 38.487 0.011 0.000 1.004 298 N HN 0.063 nan 8.380 nan 0.000 0.499 299 L N 0.067 121.330 121.223 0.066 0.000 2.046 299 L HA -0.068 3.449 4.340 -1.373 0.000 0.208 299 L C 0.597 177.513 176.870 0.078 0.000 1.077 299 L CA 0.954 55.823 54.840 0.049 0.000 0.747 299 L CB -0.225 41.843 42.059 0.016 0.000 0.896 299 L HN 0.229 nan 8.230 nan 0.000 0.432 300 L N -0.004 121.288 121.223 0.115 0.000 2.417 300 L HA 0.205 3.721 4.340 -1.373 0.000 0.268 300 L C -1.902 175.060 176.870 0.153 0.000 1.158 300 L CA -2.014 52.901 54.840 0.126 0.000 0.819 300 L CB 0.107 42.252 42.059 0.144 0.000 1.112 300 L HN -0.158 nan 8.230 nan 0.000 0.458 301 P HA -0.089 nan 4.420 nan 0.000 0.264 301 P C -0.585 176.843 177.300 0.213 0.000 1.193 301 P CA -0.090 63.107 63.100 0.162 0.000 0.763 301 P CB 0.170 31.945 31.700 0.125 0.000 0.810 302 F N 3.245 123.255 119.950 0.100 0.000 2.590 302 F HA 0.218 3.924 4.527 -1.369 0.000 0.389 302 F C 0.514 176.367 175.800 0.088 0.000 1.049 302 F CA 1.195 59.259 58.000 0.108 0.000 1.199 302 F CB 0.210 39.255 39.000 0.075 0.000 1.058 302 F HN 0.203 nan 8.300 nan 0.000 0.556 303 S N 6.484 121.944 115.700 -0.400 0.000 2.543 303 S HA 0.255 3.901 4.470 -1.373 0.000 0.273 303 S C 0.457 174.897 174.600 -0.268 0.000 1.152 303 S CA -0.890 57.172 58.200 -0.230 0.000 0.910 303 S CB 1.013 64.210 63.200 -0.005 0.000 1.105 303 S HN 0.846 nan 8.310 nan 0.000 0.465 304 I N 4.337 124.829 120.570 -0.131 0.000 2.530 304 I HA -0.110 3.237 4.170 -1.373 0.000 0.257 304 I C 1.128 177.420 176.117 0.292 0.000 1.179 304 I CA 1.356 62.686 61.300 0.050 0.000 1.440 304 I CB 0.011 38.051 38.000 0.067 0.000 1.087 304 I HN 0.732 nan 8.210 nan 0.000 0.440 305 L N 0.180 121.496 121.223 0.154 0.000 2.478 305 L HA 0.004 3.520 4.340 -1.373 0.000 0.223 305 L C 0.173 177.105 176.870 0.104 0.000 1.140 305 L CA 0.151 55.074 54.840 0.137 0.000 0.842 305 L CB -0.632 41.488 42.059 0.101 0.000 0.953 305 L HN 0.204 nan 8.230 nan 0.000 0.452 306 N N 0.772 119.537 118.700 0.108 0.000 2.462 306 N HA 0.151 4.068 4.740 -1.373 0.000 0.242 306 N C 1.111 176.707 175.510 0.144 0.000 1.010 306 N CA -0.324 52.790 53.050 0.106 0.000 0.939 306 N CB 1.569 40.122 38.487 0.110 0.000 1.127 306 N HN -0.079 nan 8.380 nan 0.000 0.509 307 I N 3.157 123.764 120.570 0.062 0.000 2.248 307 I HA -0.165 3.181 4.170 -1.373 0.000 0.248 307 I C -0.607 175.584 176.117 0.122 0.000 1.107 307 I CA 0.903 62.183 61.300 -0.033 0.000 1.373 307 I CB -1.998 35.917 38.000 -0.142 0.000 1.055 307 I HN 0.337 nan 8.210 nan 0.000 0.418 308 P HA -0.136 nan 4.420 nan 0.000 0.218 308 P C 1.740 179.035 177.300 -0.009 0.000 1.148 308 P CA 1.954 65.156 63.100 0.170 0.000 0.822 308 P CB -0.379 31.449 31.700 0.213 0.000 0.784 309 T N -5.458 109.070 114.554 -0.043 0.000 2.929 309 T HA -0.179 3.347 4.350 -1.373 0.000 0.271 309 T C 1.309 175.932 174.700 -0.128 0.000 1.085 309 T CA 0.635 62.557 62.100 -0.297 0.000 1.125 309 T CB -1.285 67.384 68.868 -0.332 0.000 0.874 309 T HN 0.064 nan 8.240 nan 0.000 0.494 310 W N 1.058 122.257 121.300 -0.169 0.000 2.721 310 W HA 0.359 4.186 4.660 -1.389 0.000 0.245 310 W C 1.953 178.423 176.519 -0.082 0.000 1.276 310 W CA -1.204 56.103 57.345 -0.064 0.000 1.342 310 W CB -0.724 28.721 29.460 -0.024 0.000 1.135 310 W HN 0.278 nan 8.180 nan 0.000 0.654 311 I N 0.156 120.690 120.570 -0.059 0.000 2.248 311 I HA -0.364 2.983 4.170 -1.373 0.000 0.248 311 I C 1.664 177.652 176.117 -0.215 0.000 1.107 311 I CA 1.610 62.742 61.300 -0.280 0.000 1.373 311 I CB -0.103 37.378 38.000 -0.865 0.000 1.055 311 I HN -0.225 nan 8.210 nan 0.000 0.418 312 S N -0.944 114.667 115.700 -0.149 0.000 2.562 312 S HA -0.124 3.522 4.470 -1.373 0.000 0.221 312 S C 1.498 176.210 174.600 0.188 0.000 0.975 312 S CA 0.322 58.474 58.200 -0.080 0.000 0.918 312 S CB -0.324 62.834 63.200 -0.069 0.000 0.772 312 S HN 0.598 nan 8.310 nan 0.000 0.531 313 H N 1.147 120.287 119.070 0.117 0.000 2.544 313 H HA 0.338 4.062 4.556 -1.386 0.000 0.269 313 H C 0.314 175.883 175.328 0.401 0.000 0.970 313 H CA -0.040 56.177 56.048 0.282 0.000 1.219 313 H CB -0.105 29.672 29.762 0.025 0.000 1.421 313 H HN 0.231 nan 8.280 nan 0.000 0.555 314 L N 2.748 124.076 121.223 0.176 0.000 2.453 314 L HA 0.083 3.599 4.340 -1.373 0.000 0.272 314 L C -1.014 175.823 176.870 -0.055 0.000 1.182 314 L CA -1.223 53.602 54.840 -0.025 0.000 0.858 314 L CB 0.719 42.743 42.059 -0.058 0.000 1.120 314 L HN 0.218 nan 8.230 nan 0.000 0.474 315 P HA -0.090 nan 4.420 nan 0.000 0.219 315 P C 1.379 178.579 177.300 -0.167 0.000 1.150 315 P CA 1.010 63.824 63.100 -0.477 0.000 0.814 315 P CB 0.182 31.375 31.700 -0.846 0.000 0.787 316 T N 0.458 114.939 114.554 -0.121 0.000 2.720 316 T HA -0.108 3.418 4.350 -1.373 0.000 0.268 316 T C 2.014 176.722 174.700 0.013 0.000 1.037 316 T CA 1.866 63.940 62.100 -0.043 0.000 1.144 316 T CB -0.739 68.122 68.868 -0.011 0.000 0.864 316 T HN 0.103 nan 8.240 nan 0.000 0.444 317 A N -0.263 122.575 122.820 0.031 0.000 2.014 317 A HA 0.009 3.505 4.320 -1.373 0.000 0.218 317 A C 1.945 179.620 177.584 0.152 0.000 1.163 317 A CA 0.981 53.052 52.037 0.056 0.000 0.652 317 A CB -0.794 18.182 19.000 -0.040 0.000 0.808 317 A HN 0.546 nan 8.150 nan 0.000 0.449 318 Y N 0.139 120.489 120.300 0.083 0.000 2.114 318 Y HA -0.124 3.597 4.550 -1.383 0.000 0.284 318 Y C 2.780 178.622 175.900 -0.097 0.000 1.143 318 Y CA 1.550 59.625 58.100 -0.043 0.000 1.135 318 Y CB -0.732 37.598 38.460 -0.216 0.000 0.980 318 Y HN 0.337 nan 8.280 nan 0.000 0.499 319 G N -0.835 107.976 108.800 0.018 0.000 2.421 319 G HA2 -0.287 2.850 3.960 -1.373 0.000 0.216 319 G HA3 -0.287 2.850 3.960 -1.373 0.000 0.216 319 G C 1.510 176.429 174.900 0.031 0.000 1.171 319 G CA 1.179 46.255 45.100 -0.040 0.000 0.775 319 G HN 0.410 nan 8.290 nan 0.000 0.543 320 D N 0.693 121.124 120.400 0.051 0.000 2.103 320 D HA -0.056 3.760 4.640 -1.373 0.000 0.199 320 D C 2.658 179.020 176.300 0.103 0.000 0.978 320 D CA 1.354 55.395 54.000 0.068 0.000 0.829 320 D CB -0.396 40.442 40.800 0.063 0.000 0.981 320 D HN 0.243 nan 8.370 nan 0.000 0.464 321 G N 0.833 109.716 108.800 0.137 0.000 2.421 321 G HA2 -0.216 2.921 3.960 -1.373 0.000 0.216 321 G HA3 -0.216 2.921 3.960 -1.373 0.000 0.216 321 G C 1.809 176.827 174.900 0.196 0.000 1.171 321 G CA 0.637 45.850 45.100 0.188 0.000 0.775 321 G HN 0.259 nan 8.290 nan 0.000 0.543 322 M N 0.308 120.022 119.600 0.190 0.000 2.349 322 M HA 0.043 3.700 4.480 -1.373 0.000 0.266 322 M C 2.291 178.752 176.300 0.269 0.000 1.076 322 M CA 0.936 56.387 55.300 0.252 0.000 1.126 322 M CB -0.233 32.556 32.600 0.316 0.000 1.392 322 M HN 0.264 nan 8.290 nan 0.000 0.440 323 N N 1.021 119.845 118.700 0.206 0.000 2.166 323 N HA -0.122 3.795 4.740 -1.373 0.000 0.186 323 N C 1.641 177.224 175.510 0.122 0.000 1.019 323 N CA 1.336 54.483 53.050 0.162 0.000 0.856 323 N CB 0.061 38.611 38.487 0.104 0.000 0.993 323 N HN 0.205 nan 8.380 nan 0.000 0.426 324 R N -0.218 120.356 120.500 0.123 0.000 2.115 324 R HA 0.019 3.536 4.340 -1.373 0.000 0.230 324 R C 2.020 178.394 176.300 0.124 0.000 1.111 324 R CA 1.044 57.209 56.100 0.109 0.000 0.976 324 R CB -0.230 30.136 30.300 0.110 0.000 0.870 324 R HN 0.379 nan 8.270 nan 0.000 0.445 325 I N 0.566 121.229 120.570 0.156 0.000 2.202 325 I HA -0.282 3.064 4.170 -1.373 0.000 0.242 325 I C 2.165 178.386 176.117 0.173 0.000 1.091 325 I CA 0.997 62.396 61.300 0.166 0.000 1.368 325 I CB -0.248 37.849 38.000 0.162 0.000 1.058 325 I HN 0.117 nan 8.210 nan 0.000 0.410 326 I N 0.965 121.592 120.570 0.095 0.000 2.194 326 I HA -0.291 3.055 4.170 -1.373 0.000 0.246 326 I C 2.246 178.286 176.117 -0.129 0.000 1.093 326 I CA 1.889 63.112 61.300 -0.130 0.000 1.355 326 I CB -0.980 36.996 38.000 -0.039 0.000 1.046 326 I HN 0.380 nan 8.210 nan 0.000 0.413 327 E N -0.025 120.170 120.200 -0.009 0.000 2.481 327 E HA -0.033 3.493 4.350 -1.373 0.000 0.195 327 E C 0.992 177.599 176.600 0.013 0.000 1.047 327 E CA -0.112 56.284 56.400 -0.006 0.000 0.867 327 E CB 0.113 29.822 29.700 0.016 0.000 0.858 327 E HN 0.194 nan 8.360 nan 0.000 0.513 328 S N 1.031 116.768 115.700 0.060 0.000 2.560 328 S HA -0.019 3.628 4.470 -1.373 0.000 0.284 328 S C 1.176 175.782 174.600 0.010 0.000 1.327 328 S CA -0.357 57.877 58.200 0.057 0.000 1.055 328 S CB 0.562 63.853 63.200 0.152 0.000 0.868 328 S HN -0.011 nan 8.310 nan 0.000 0.506 329 K N 3.632 123.944 120.400 -0.147 0.000 2.442 329 K HA -0.031 3.466 4.320 -1.373 0.000 0.198 329 K C 0.616 177.133 176.600 -0.138 0.000 1.042 329 K CA 1.047 57.216 56.287 -0.196 0.000 0.958 329 K CB -0.281 32.018 32.500 -0.335 0.000 0.766 329 K HN 0.675 nan 8.250 nan 0.000 0.474 330 F N -1.126 118.888 119.950 0.106 0.000 2.727 330 F HA 0.078 3.781 4.527 -1.374 0.000 0.302 330 F C 1.889 177.646 175.800 -0.071 0.000 1.097 330 F CA -1.045 56.994 58.000 0.065 0.000 1.330 330 F CB -0.756 38.360 39.000 0.194 0.000 1.084 330 F HN 0.004 nan 8.300 nan 0.000 0.578 331 Y N 2.423 122.732 120.300 0.016 0.000 2.114 331 Y HA -0.326 3.400 4.550 -1.374 0.000 0.282 331 Y C 2.188 178.011 175.900 -0.129 0.000 1.165 331 Y CA 2.259 60.294 58.100 -0.109 0.000 1.148 331 Y CB -0.354 38.055 38.460 -0.085 0.000 0.972 331 Y HN 0.197 nan 8.280 nan 0.000 0.504 332 D N -0.436 119.984 120.400 0.032 0.000 2.378 332 D HA -0.134 3.682 4.640 -1.373 0.000 0.227 332 D C 1.503 177.744 176.300 -0.099 0.000 1.012 332 D CA 0.966 54.955 54.000 -0.019 0.000 0.905 332 D CB -0.797 40.068 40.800 0.109 0.000 0.895 332 D HN 0.519 nan 8.370 nan 0.000 0.532 333 L N 0.206 121.348 121.223 -0.136 0.000 2.446 333 L HA 0.112 3.629 4.340 -1.373 0.000 0.219 333 L C 1.242 177.962 176.870 -0.250 0.000 1.116 333 L CA 0.505 55.276 54.840 -0.114 0.000 0.844 333 L CB -0.525 41.505 42.059 -0.048 0.000 0.970 333 L HN 0.092 nan 8.230 nan 0.000 0.457 334 T N -1.703 112.511 114.554 -0.566 0.000 2.849 334 T HA 0.479 4.006 4.350 -1.373 0.000 0.284 334 T C 0.191 174.625 174.700 -0.443 0.000 1.004 334 T CA -0.456 61.222 62.100 -0.703 0.000 1.021 334 T CB 1.875 70.130 68.868 -1.021 0.000 1.013 334 T HN 0.205 nan 8.240 nan 0.000 0.527 335 S N -0.065 115.440 115.700 -0.324 0.000 2.697 335 S HA 0.450 4.097 4.470 -1.373 0.000 0.289 335 S C 0.870 175.365 174.600 -0.176 0.000 1.149 335 S CA -1.106 56.974 58.200 -0.199 0.000 0.850 335 S CB 1.792 64.942 63.200 -0.082 0.000 1.151 335 S HN 0.846 nan 8.310 nan 0.000 0.491 336 K N 0.006 120.353 120.400 -0.089 0.000 2.089 336 K HA -0.147 3.350 4.320 -1.373 0.000 0.210 336 K C 0.083 176.676 176.600 -0.012 0.000 1.048 336 K CA 2.073 58.339 56.287 -0.035 0.000 0.926 336 K CB -0.230 32.291 32.500 0.035 0.000 0.714 336 K HN 0.607 nan 8.250 nan 0.000 0.448 337 D N 0.310 120.711 120.400 0.002 0.000 2.463 337 D HA 0.087 3.903 4.640 -1.373 0.000 0.224 337 D C -0.587 175.732 176.300 0.030 0.000 1.174 337 D CA 0.061 54.083 54.000 0.037 0.000 0.829 337 D CB 0.696 41.532 40.800 0.061 0.000 0.993 337 D HN 0.008 nan 8.370 nan 0.000 0.497 338 S N 0.493 116.184 115.700 -0.015 0.000 2.558 338 S HA 0.055 3.701 4.470 -1.373 0.000 0.288 338 S C 0.611 175.234 174.600 0.039 0.000 1.318 338 S CA 0.212 58.431 58.200 0.031 0.000 1.056 338 S CB 0.741 63.885 63.200 -0.095 0.000 0.853 338 S HN 0.097 nan 8.310 nan 0.000 0.505 339 T N 4.375 118.982 114.554 0.088 0.000 2.738 339 T HA 0.354 3.881 4.350 -1.373 0.000 0.293 339 T C 0.040 174.807 174.700 0.111 0.000 0.913 339 T CA 0.102 62.179 62.100 -0.038 0.000 1.103 339 T CB -0.503 68.275 68.868 -0.148 0.000 0.880 339 T HN 0.374 nan 8.240 nan 0.000 0.526 340 I N 4.782 125.382 120.570 0.050 0.000 2.447 340 I HA 0.381 3.727 4.170 -1.373 0.000 0.287 340 I C -0.609 175.567 176.117 0.098 0.000 1.023 340 I CA -0.988 60.384 61.300 0.121 0.000 1.083 340 I CB 1.757 39.781 38.000 0.041 0.000 1.245 340 I HN 0.341 nan 8.210 nan 0.000 0.434 341 I N 7.107 127.752 120.570 0.124 0.000 2.330 341 I HA 0.336 3.683 4.170 -1.373 0.000 0.289 341 I C -0.005 176.183 176.117 0.119 0.000 1.001 341 I CA -0.743 60.620 61.300 0.105 0.000 1.193 341 I CB 1.480 39.542 38.000 0.103 0.000 1.345 341 I HN 0.144 nan 8.210 nan 0.000 0.461 342 V N 5.725 125.705 119.914 0.110 0.000 2.370 342 V HA 0.465 3.762 4.120 -1.373 0.000 0.279 342 V C 0.782 176.939 176.094 0.104 0.000 1.029 342 V CA -0.883 61.488 62.300 0.119 0.000 0.870 342 V CB 1.494 33.414 31.823 0.161 0.000 0.984 342 V HN 0.851 nan 8.190 nan 0.000 0.451 343 A N 4.325 127.203 122.820 0.098 0.000 2.444 343 A HA 0.363 3.859 4.320 -1.373 0.000 0.287 343 A C 0.587 178.239 177.584 0.114 0.000 1.195 343 A CA -0.010 52.089 52.037 0.102 0.000 0.858 343 A CB -0.420 18.605 19.000 0.042 0.000 1.117 343 A HN 0.786 nan 8.150 nan 0.000 0.521 344 N N 2.281 121.073 118.700 0.153 0.000 2.433 344 N HA 0.219 4.135 4.740 -1.373 0.000 0.270 344 N C -0.578 175.064 175.510 0.219 0.000 1.354 344 N CA -0.013 53.109 53.050 0.120 0.000 0.889 344 N CB 0.342 38.815 38.487 -0.022 0.000 1.285 344 N HN 0.637 nan 8.380 nan 0.000 0.503 345 L N 0.871 122.221 121.223 0.213 0.000 2.436 345 L HA 0.259 3.776 4.340 -1.373 0.000 0.265 345 L C 1.300 178.194 176.870 0.039 0.000 1.168 345 L CA -0.374 54.575 54.840 0.182 0.000 0.815 345 L CB 0.598 42.752 42.059 0.159 0.000 1.109 345 L HN 0.138 nan 8.230 nan 0.000 0.462 346 S N -0.093 115.479 115.700 -0.214 0.000 2.596 346 S HA 0.018 3.664 4.470 -1.373 0.000 0.260 346 S C 0.585 175.065 174.600 -0.199 0.000 1.336 346 S CA -0.624 57.310 58.200 -0.444 0.000 0.993 346 S CB 0.827 63.619 63.200 -0.681 0.000 0.923 346 S HN 0.600 nan 8.310 nan 0.000 0.567 347 D N 1.990 122.276 120.400 -0.191 0.000 2.104 347 D HA -0.008 3.808 4.640 -1.373 0.000 0.194 347 D C -0.598 175.620 176.300 -0.138 0.000 0.994 347 D CA 1.409 55.324 54.000 -0.143 0.000 0.830 347 D CB -1.960 38.747 40.800 -0.156 0.000 0.959 347 D HN 0.500 nan 8.370 nan 0.000 0.452 348 P HA -0.035 nan 4.420 nan 0.000 0.217 348 P C 1.168 178.426 177.300 -0.069 0.000 1.150 348 P CA 1.711 64.745 63.100 -0.110 0.000 0.832 348 P CB -0.025 31.613 31.700 -0.104 0.000 0.787 349 A N -0.217 122.569 122.820 -0.057 0.000 1.968 349 A HA -0.151 3.345 4.320 -1.373 0.000 0.217 349 A C 2.386 179.963 177.584 -0.011 0.000 1.169 349 A CA 1.167 53.203 52.037 -0.001 0.000 0.638 349 A CB -1.090 17.937 19.000 0.046 0.000 0.812 349 A HN 0.006 nan 8.150 nan 0.000 0.446 350 R N -0.152 120.323 120.500 -0.041 0.000 2.127 350 R HA -0.129 3.387 4.340 -1.373 0.000 0.238 350 R C 2.138 178.361 176.300 -0.129 0.000 1.134 350 R CA 1.339 57.398 56.100 -0.070 0.000 0.975 350 R CB -0.363 29.895 30.300 -0.070 0.000 0.865 350 R HN 0.439 nan 8.270 nan 0.000 0.447 351 A N 1.340 124.093 122.820 -0.112 0.000 2.019 351 A HA -0.167 3.330 4.320 -1.373 0.000 0.219 351 A C 1.237 178.732 177.584 -0.149 0.000 1.164 351 A CA 1.711 53.672 52.037 -0.126 0.000 0.644 351 A CB -0.229 18.715 19.000 -0.092 0.000 0.805 351 A HN 0.704 nan 8.150 nan 0.000 0.449 352 N N -2.364 116.263 118.700 -0.123 0.000 2.217 352 N HA 0.073 3.989 4.740 -1.373 0.000 0.239 352 N C -0.840 174.622 175.510 -0.079 0.000 1.330 352 N CA 0.227 53.213 53.050 -0.107 0.000 0.838 352 N CB -0.213 38.258 38.487 -0.027 0.000 1.287 352 N HN -0.008 nan 8.380 nan 0.000 0.498 353 T N 0.914 115.405 114.554 -0.104 0.000 2.792 353 T HA 0.340 3.866 4.350 -1.373 0.000 0.280 353 T C -0.986 173.661 174.700 -0.087 0.000 0.990 353 T CA -0.320 61.803 62.100 0.039 0.000 0.960 353 T CB 0.879 69.857 68.868 0.183 0.000 0.939 353 T HN 0.118 nan 8.240 nan 0.000 0.439 354 W N 2.669 124.002 121.300 0.055 0.000 2.345 354 W HA 0.448 4.285 4.660 -1.372 0.000 0.308 354 W C -0.108 176.281 176.519 -0.217 0.000 1.273 354 W CA -0.696 56.621 57.345 -0.047 0.000 1.243 354 W CB 0.413 29.862 29.460 -0.018 0.000 1.260 354 W HN 0.317 nan 8.180 nan 0.000 0.509 355 V N 5.422 125.183 119.914 -0.256 0.000 2.470 355 V HA 0.181 3.477 4.120 -1.373 0.000 0.276 355 V C 0.235 176.048 176.094 -0.469 0.000 1.040 355 V CA -0.186 61.586 62.300 -0.881 0.000 1.008 355 V CB 0.006 31.491 31.823 -0.564 0.000 0.990 355 V HN 0.624 nan 8.190 nan 0.000 0.477 356 Q N 2.592 122.064 119.800 -0.547 0.000 2.575 356 Q HA 0.423 3.939 4.340 -1.373 0.000 0.290 356 Q C -1.405 174.717 176.000 0.202 0.000 0.963 356 Q CA -0.999 54.786 55.803 -0.029 0.000 0.783 356 Q CB 1.819 30.612 28.738 0.092 0.000 1.467 356 Q HN 0.440 nan 8.270 nan 0.000 0.402 357 D N 1.475 122.007 120.400 0.221 0.000 2.435 357 D HA 0.195 4.012 4.640 -1.373 0.000 0.230 357 D C 0.364 176.869 176.300 0.341 0.000 1.215 357 D CA -0.083 54.113 54.000 0.327 0.000 0.947 357 D CB 0.373 41.336 40.800 0.271 0.000 1.048 357 D HN 0.629 nan 8.370 nan 0.000 0.512 358 L N 3.074 124.570 121.223 0.455 0.000 2.395 358 L HA 0.025 3.542 4.340 -1.373 0.000 0.218 358 L C 1.211 178.189 176.870 0.181 0.000 1.130 358 L CA 0.124 55.124 54.840 0.267 0.000 0.826 358 L CB -0.596 41.547 42.059 0.140 0.000 0.941 358 L HN 0.560 nan 8.230 nan 0.000 0.451 359 N N 0.308 119.177 118.700 0.281 0.000 2.714 359 N HA -0.234 3.683 4.740 -1.373 0.000 0.250 359 N C 0.404 175.921 175.510 0.013 0.000 1.117 359 N CA 0.188 53.281 53.050 0.072 0.000 0.719 359 N CB -0.439 38.011 38.487 -0.062 0.000 1.081 359 N HN 0.251 nan 8.380 nan 0.000 0.557 360 R N 1.015 121.549 120.500 0.057 0.000 2.491 360 R HA 0.063 3.579 4.340 -1.373 0.000 0.283 360 R C 0.134 176.402 176.300 -0.053 0.000 1.072 360 R CA 0.011 56.060 56.100 -0.085 0.000 1.048 360 R CB 0.321 30.406 30.300 -0.357 0.000 0.983 360 R HN 0.308 nan 8.270 nan 0.000 0.450 361 N N 0.221 118.844 118.700 -0.128 0.000 2.725 361 N HA -0.238 3.679 4.740 -1.373 0.000 0.251 361 N C -1.504 173.852 175.510 -0.256 0.000 1.031 361 N CA 1.432 54.327 53.050 -0.258 0.000 0.720 361 N CB -0.785 37.381 38.487 -0.536 0.000 0.930 361 N HN 0.684 nan 8.380 nan 0.000 0.543 362 A N -0.598 122.130 122.820 -0.153 0.000 2.605 362 A HA 0.521 4.017 4.320 -1.373 0.000 0.294 362 A C -0.361 177.146 177.584 -0.128 0.000 1.062 362 A CA -0.832 51.131 52.037 -0.124 0.000 0.682 362 A CB 1.234 20.185 19.000 -0.081 0.000 1.278 362 A HN 0.136 nan 8.150 nan 0.000 0.410 363 E N 0.768 120.918 120.200 -0.083 0.000 2.422 363 E HA 0.266 3.793 4.350 -1.373 0.000 0.260 363 E C -0.240 176.284 176.600 -0.126 0.000 1.108 363 E CA 0.093 56.455 56.400 -0.063 0.000 0.943 363 E CB 0.361 30.058 29.700 -0.006 0.000 0.961 363 E HN 0.571 nan 8.360 nan 0.000 0.443 364 T N 2.381 116.888 114.554 -0.079 0.000 2.871 364 T HA -0.024 3.503 4.350 -1.373 0.000 0.296 364 T C -0.082 174.614 174.700 -0.006 0.000 0.998 364 T CA 0.304 62.357 62.100 -0.079 0.000 1.162 364 T CB -0.160 68.700 68.868 -0.014 0.000 0.947 364 T HN 0.291 nan 8.240 nan 0.000 0.536 365 H N 2.339 121.448 119.070 0.065 0.000 2.732 365 H HA 0.268 3.999 4.556 -1.374 0.000 0.351 365 H C 0.335 175.704 175.328 0.068 0.000 1.090 365 H CA -0.560 55.533 56.048 0.075 0.000 1.431 365 H CB 0.587 30.404 29.762 0.090 0.000 1.447 365 H HN 0.164 nan 8.280 nan 0.000 0.582 366 K N 1.854 122.381 120.400 0.212 0.000 2.316 366 K HA 0.487 3.984 4.320 -1.373 0.000 0.251 366 K C 0.435 177.109 176.600 0.124 0.000 0.934 366 K CA -0.247 56.123 56.287 0.137 0.000 0.802 366 K CB 2.039 34.605 32.500 0.109 0.000 1.171 366 K HN 0.999 nan 8.250 nan 0.000 0.426 367 G N 0.999 109.863 108.800 0.106 0.000 2.660 367 G HA2 -0.223 2.913 3.960 -1.373 0.000 0.215 367 G HA3 -0.223 2.913 3.960 -1.373 0.000 0.215 367 G C -0.507 174.442 174.900 0.081 0.000 1.345 367 G CA -0.601 44.560 45.100 0.103 0.000 0.877 367 G HN 0.473 nan 8.290 nan 0.000 0.549 368 S N -0.388 115.357 115.700 0.074 0.000 2.589 368 S HA 0.605 4.251 4.470 -1.373 0.000 0.265 368 S C 0.493 175.043 174.600 -0.082 0.000 1.342 368 S CA 0.694 58.883 58.200 -0.018 0.000 1.005 368 S CB 1.089 64.302 63.200 0.022 0.000 0.909 368 S HN 0.954 nan 8.310 nan 0.000 0.555 369 T N 2.340 116.774 114.554 -0.200 0.000 2.824 369 T HA 0.543 4.070 4.350 -1.373 0.000 0.282 369 T C -0.943 173.578 174.700 -0.298 0.000 0.993 369 T CA -0.287 61.736 62.100 -0.128 0.000 0.967 369 T CB 0.345 69.195 68.868 -0.031 0.000 0.960 369 T HN 0.336 nan 8.240 nan 0.000 0.441 370 F N 2.526 122.504 119.950 0.046 0.000 2.427 370 F HA 0.605 4.308 4.527 -1.373 0.000 0.346 370 F C 0.259 176.109 175.800 0.083 0.000 1.120 370 F CA -1.074 56.958 58.000 0.052 0.000 1.033 370 F CB 1.067 40.077 39.000 0.017 0.000 1.126 370 F HN 0.279 nan 8.300 nan 0.000 0.462 371 I N 5.316 126.043 120.570 0.262 0.000 2.410 371 I HA 0.343 3.689 4.170 -1.373 0.000 0.286 371 I C -0.963 175.320 176.117 0.276 0.000 1.009 371 I CA -0.673 60.757 61.300 0.217 0.000 1.111 371 I CB 1.498 39.587 38.000 0.149 0.000 1.262 371 I HN 0.339 nan 8.210 nan 0.000 0.443 372 I N 5.453 126.160 120.570 0.227 0.000 2.330 372 I HA 0.376 3.723 4.170 -1.373 0.000 0.289 372 I C 0.943 177.149 176.117 0.149 0.000 1.001 372 I CA -0.136 61.297 61.300 0.221 0.000 1.193 372 I CB 0.881 39.004 38.000 0.205 0.000 1.345 372 I HN 0.583 nan 8.210 nan 0.000 0.461 373 G N 4.695 113.579 108.800 0.141 0.000 2.553 373 G HA2 0.437 3.573 3.960 -1.373 0.000 0.278 373 G HA3 0.437 3.573 3.960 -1.373 0.000 0.278 373 G C 0.115 175.052 174.900 0.062 0.000 1.349 373 G CA -0.214 44.929 45.100 0.073 0.000 1.037 373 G HN 0.676 nan 8.290 nan 0.000 0.508 374 S N -1.820 113.897 115.700 0.029 0.000 2.747 374 S HA 0.342 3.988 4.470 -1.373 0.000 0.300 374 S C 0.191 174.803 174.600 0.019 0.000 1.121 374 S CA -0.568 57.650 58.200 0.030 0.000 0.995 374 S CB 1.958 65.171 63.200 0.020 0.000 1.113 374 S HN 0.359 nan 8.310 nan 0.000 0.547 375 D N 0.826 121.238 120.400 0.020 0.000 2.363 375 D HA 0.227 4.044 4.640 -1.373 0.000 0.226 375 D C 0.249 176.548 176.300 -0.002 0.000 1.020 375 D CA 0.421 54.428 54.000 0.012 0.000 0.892 375 D CB 0.039 40.849 40.800 0.017 0.000 0.900 375 D HN 0.379 nan 8.370 nan 0.000 0.531 376 S N 0.177 115.869 115.700 -0.013 0.000 2.768 376 S HA 0.296 3.943 4.470 -1.373 0.000 0.300 376 S C 0.123 174.689 174.600 -0.057 0.000 1.122 376 S CA -0.837 57.345 58.200 -0.031 0.000 0.995 376 S CB 0.875 64.056 63.200 -0.032 0.000 1.195 376 S HN 0.024 nan 8.310 nan 0.000 0.547 377 N N 3.044 121.698 118.700 -0.076 0.000 2.416 377 N HA 0.220 4.136 4.740 -1.373 0.000 0.265 377 N C -1.014 174.400 175.510 -0.161 0.000 1.195 377 N CA 0.280 53.262 53.050 -0.113 0.000 0.943 377 N CB -0.094 38.328 38.487 -0.109 0.000 1.115 377 N HN 0.425 nan 8.380 nan 0.000 0.481 378 D N 1.498 121.772 120.400 -0.210 0.000 2.228 378 D HA 0.376 4.192 4.640 -1.373 0.000 0.247 378 D C 0.097 176.147 176.300 -0.417 0.000 0.995 378 D CA -0.410 53.429 54.000 -0.269 0.000 0.903 378 D CB 1.992 42.656 40.800 -0.225 0.000 1.205 378 D HN 0.201 nan 8.370 nan 0.000 0.459 379 L N 2.053 122.966 121.223 -0.517 0.000 2.276 379 L HA 0.491 4.008 4.340 -1.373 0.000 0.286 379 L C -0.237 176.383 176.870 -0.417 0.000 1.024 379 L CA -0.509 53.823 54.840 -0.846 0.000 0.826 379 L CB 0.869 41.968 42.059 -1.600 0.000 1.211 379 L HN 0.142 nan 8.230 nan 0.000 0.422 380 I N 3.360 123.858 120.570 -0.120 0.000 2.436 380 I HA 0.289 3.635 4.170 -1.373 0.000 0.289 380 I C -0.409 175.947 176.117 0.398 0.000 1.010 380 I CA -0.509 60.852 61.300 0.101 0.000 1.098 380 I CB 2.146 40.135 38.000 -0.017 0.000 1.266 380 I HN 0.525 nan 8.210 nan 0.000 0.434 381 Q N 5.199 125.189 119.800 0.318 0.000 2.357 381 Q HA 0.582 4.099 4.340 -1.373 0.000 0.266 381 Q C -0.449 175.610 176.000 0.098 0.000 1.021 381 Q CA -0.435 55.475 55.803 0.178 0.000 0.784 381 Q CB 1.827 30.607 28.738 0.071 0.000 1.243 381 Q HN 0.764 nan 8.270 nan 0.000 0.465 382 G N 1.790 110.640 108.800 0.084 0.000 2.476 382 G HA2 0.556 3.693 3.960 -1.373 0.000 0.286 382 G HA3 0.556 3.693 3.960 -1.373 0.000 0.286 382 G C -0.004 174.901 174.900 0.008 0.000 1.177 382 G CA -0.229 44.894 45.100 0.039 0.000 0.870 382 G HN 0.724 nan 8.290 nan 0.000 0.528 383 G N -0.930 107.872 108.800 0.004 0.000 2.525 383 G HA2 0.379 3.515 3.960 -1.373 0.000 0.287 383 G HA3 0.379 3.515 3.960 -1.373 0.000 0.287 383 G C 1.320 176.211 174.900 -0.014 0.000 1.350 383 G CA 0.581 45.684 45.100 0.005 0.000 1.039 383 G HN 1.095 nan 8.290 nan 0.000 0.513 384 S N -1.390 114.305 115.700 -0.007 0.000 2.527 384 S HA 0.210 3.856 4.470 -1.373 0.000 0.222 384 S C 1.350 175.943 174.600 -0.012 0.000 0.985 384 S CA 0.511 58.702 58.200 -0.016 0.000 0.921 384 S CB -0.144 63.050 63.200 -0.010 0.000 0.772 384 S HN 0.844 nan 8.310 nan 0.000 0.529 385 G N 1.613 110.412 108.800 -0.002 0.000 2.582 385 G HA2 0.396 3.533 3.960 -1.373 0.000 0.232 385 G HA3 0.396 3.533 3.960 -1.373 0.000 0.232 385 G C -0.536 174.347 174.900 -0.028 0.000 1.458 385 G CA -0.881 44.224 45.100 0.008 0.000 1.062 385 G HN 0.367 nan 8.290 nan 0.000 0.566 386 N N 1.025 119.703 118.700 -0.038 0.000 2.426 386 N HA 0.409 4.326 4.740 -1.373 0.000 0.275 386 N C -1.436 173.908 175.510 -0.277 0.000 1.019 386 N CA -0.096 52.878 53.050 -0.127 0.000 0.941 386 N CB 1.716 40.162 38.487 -0.067 0.000 1.123 386 N HN 0.350 nan 8.380 nan 0.000 0.486 387 D N 0.521 120.662 120.400 -0.431 0.000 2.671 387 D HA 0.346 4.162 4.640 -1.373 0.000 0.232 387 D C -1.052 174.770 176.300 -0.797 0.000 1.114 387 D CA -0.314 53.409 54.000 -0.462 0.000 0.858 387 D CB 1.318 41.986 40.800 -0.219 0.000 1.544 387 D HN 0.336 nan 8.370 nan 0.000 0.471 388 Y N 1.072 121.040 120.300 -0.553 0.000 2.376 388 Y HA 0.423 4.149 4.550 -1.373 0.000 0.326 388 Y C -0.624 175.067 175.900 -0.348 0.000 0.970 388 Y CA -0.807 56.798 58.100 -0.825 0.000 1.248 388 Y CB 0.910 38.421 38.460 -1.583 0.000 1.117 388 Y HN 0.088 nan 8.280 nan 0.000 0.476 389 L N 3.577 124.873 121.223 0.123 0.000 2.305 389 L HA 0.535 4.051 4.340 -1.373 0.000 0.284 389 L C -0.293 176.921 176.870 0.574 0.000 1.013 389 L CA -0.597 54.454 54.840 0.352 0.000 0.819 389 L CB 1.956 44.172 42.059 0.261 0.000 1.227 389 L HN 0.566 nan 8.230 nan 0.000 0.417 390 E N 1.617 122.179 120.200 0.603 0.000 2.182 390 E HA 0.327 3.853 4.350 -1.373 0.000 0.258 390 E C 0.553 177.384 176.600 0.385 0.000 0.879 390 E CA -0.327 56.332 56.400 0.432 0.000 0.754 390 E CB 1.840 31.717 29.700 0.294 0.000 1.162 390 E HN 0.745 nan 8.360 nan 0.000 0.419 391 G N 3.824 112.898 108.800 0.456 0.000 2.430 391 G HA2 -0.064 3.072 3.960 -1.373 0.000 0.216 391 G HA3 -0.064 3.072 3.960 -1.373 0.000 0.216 391 G C 0.524 175.506 174.900 0.136 0.000 1.146 391 G CA 0.361 45.642 45.100 0.302 0.000 0.793 391 G HN 0.710 nan 8.290 nan 0.000 0.537 392 R N -0.963 119.610 120.500 0.121 0.000 3.819 392 R HA -0.166 3.350 4.340 -1.373 0.000 0.488 392 R C 0.825 177.155 176.300 0.049 0.000 0.241 392 R CA 0.344 56.482 56.100 0.064 0.000 1.530 392 R CB -1.553 28.780 30.300 0.054 0.000 1.019 392 R HN 0.644 nan 8.270 nan 0.000 0.557 393 A N 0.362 123.199 122.820 0.029 0.000 2.346 393 A HA 0.514 4.010 4.320 -1.373 0.000 0.255 393 A C 0.824 178.411 177.584 0.006 0.000 1.113 393 A CA 0.723 52.770 52.037 0.017 0.000 0.798 393 A CB -0.320 18.687 19.000 0.011 0.000 1.073 393 A HN 1.708 nan 8.150 nan 0.000 0.502 394 G N -0.252 108.547 108.800 -0.002 0.000 2.730 394 G HA2 -0.078 3.058 3.960 -1.373 0.000 0.686 394 G HA3 -0.078 3.058 3.960 -1.373 0.000 0.686 394 G C -0.758 174.130 174.900 -0.021 0.000 1.343 394 G CA -0.329 44.759 45.100 -0.019 0.000 0.826 394 G HN 1.012 nan 8.290 nan 0.000 0.582 395 N N 2.053 120.731 118.700 -0.037 0.000 2.439 395 N HA 0.345 4.262 4.740 -1.373 0.000 0.243 395 N C -0.590 174.869 175.510 -0.085 0.000 1.088 395 N CA -0.124 52.904 53.050 -0.038 0.000 0.940 395 N CB 0.823 39.289 38.487 -0.035 0.000 1.180 395 N HN 0.504 nan 8.380 nan 0.000 0.505 396 D N 0.797 121.140 120.400 -0.096 0.000 2.163 396 D HA 0.314 4.131 4.640 -1.373 0.000 0.248 396 D C -0.043 176.082 176.300 -0.292 0.000 1.035 396 D CA 0.003 53.840 54.000 -0.271 0.000 0.872 396 D CB 1.624 42.187 40.800 -0.395 0.000 1.183 396 D HN 0.175 nan 8.370 nan 0.000 0.445 397 T N 1.635 115.953 114.554 -0.392 0.000 2.779 397 T HA 0.467 3.993 4.350 -1.373 0.000 0.280 397 T C -0.367 174.205 174.700 -0.214 0.000 0.987 397 T CA -0.499 61.494 62.100 -0.178 0.000 0.966 397 T CB 0.416 69.249 68.868 -0.058 0.000 0.933 397 T HN 0.096 nan 8.240 nan 0.000 0.442 398 F N 1.801 121.871 119.950 0.200 0.000 2.480 398 F HA 0.677 4.381 4.527 -1.371 0.000 0.329 398 F C 0.855 176.780 175.800 0.209 0.000 1.091 398 F CA -1.125 57.010 58.000 0.226 0.000 0.972 398 F CB 1.692 40.761 39.000 0.115 0.000 1.150 398 F HN 0.194 nan 8.300 nan 0.000 0.467 399 R N 0.867 121.565 120.500 0.330 0.000 2.854 399 R HA 0.494 4.010 4.340 -1.373 0.000 0.271 399 R C -1.740 174.597 176.300 0.062 0.000 0.994 399 R CA -1.033 55.102 56.100 0.059 0.000 0.945 399 R CB 2.453 32.586 30.300 -0.279 0.000 1.194 399 R HN 0.675 nan 8.270 nan 0.000 0.476 400 D N 0.012 120.416 120.400 0.007 0.000 2.927 400 D HA 0.142 3.959 4.640 -1.373 0.000 0.219 400 D C -0.034 176.255 176.300 -0.019 0.000 1.248 400 D CA -0.377 53.621 54.000 -0.002 0.000 0.861 400 D CB 2.186 42.985 40.800 -0.003 0.000 1.677 400 D HN 0.703 nan 8.370 nan 0.000 0.511 401 G N 1.062 109.845 108.800 -0.029 0.000 2.920 401 G HA2 0.462 3.599 3.960 -1.373 0.000 0.208 401 G HA3 0.462 3.599 3.960 -1.373 0.000 0.208 401 G C 0.749 175.630 174.900 -0.033 0.000 1.159 401 G CA 0.679 45.760 45.100 -0.031 0.000 0.784 401 G HN 0.809 nan 8.290 nan 0.000 0.535 402 G N -2.278 106.495 108.800 -0.045 0.000 2.325 402 G HA2 0.507 3.644 3.960 -1.373 0.000 0.285 402 G HA3 0.507 3.644 3.960 -1.373 0.000 0.285 402 G C 0.391 175.219 174.900 -0.120 0.000 1.303 402 G CA 0.280 45.333 45.100 -0.078 0.000 0.970 402 G HN 1.871 nan 8.290 nan 0.000 0.490 403 G N -1.471 107.218 108.800 -0.184 0.000 2.593 403 G HA2 0.189 3.326 3.960 -1.373 0.000 0.237 403 G HA3 0.189 3.326 3.960 -1.373 0.000 0.237 403 G C -0.427 174.214 174.900 -0.432 0.000 1.312 403 G CA 0.428 45.398 45.100 -0.217 0.000 0.896 403 G HN 1.767 nan 8.290 nan 0.000 0.574 404 Y N 1.832 122.080 120.300 -0.086 0.000 2.335 404 Y HA 0.634 4.360 4.550 -1.373 0.000 0.338 404 Y C 0.668 176.431 175.900 -0.228 0.000 0.977 404 Y CA -0.803 57.233 58.100 -0.107 0.000 1.114 404 Y CB 1.921 40.338 38.460 -0.071 0.000 1.182 404 Y HN 0.612 nan 8.280 nan 0.000 0.463 405 N N 1.552 120.178 118.700 -0.124 0.000 2.357 405 N HA 0.595 4.511 4.740 -1.373 0.000 0.284 405 N C -1.776 173.591 175.510 -0.239 0.000 1.236 405 N CA -0.739 52.131 53.050 -0.298 0.000 0.774 405 N CB 2.825 41.179 38.487 -0.221 0.000 1.534 405 N HN 0.227 nan 8.380 nan 0.000 0.478 406 V N 1.622 121.344 119.914 -0.319 0.000 2.495 406 V HA 0.554 3.851 4.120 -1.373 0.000 0.298 406 V C -0.196 175.906 176.094 0.013 0.000 1.031 406 V CA -0.622 61.657 62.300 -0.035 0.000 0.871 406 V CB 1.591 33.566 31.823 0.254 0.000 0.988 406 V HN 0.530 nan 8.190 nan 0.000 0.432 407 I N 5.852 126.396 120.570 -0.042 0.000 2.439 407 I HA 0.440 3.787 4.170 -1.373 0.000 0.283 407 I C -0.847 175.142 176.117 -0.214 0.000 1.023 407 I CA -0.346 60.824 61.300 -0.218 0.000 1.100 407 I CB 1.691 39.419 38.000 -0.454 0.000 1.238 407 I HN 0.340 nan 8.210 nan 0.000 0.445 408 L N 5.685 126.841 121.223 -0.110 0.000 2.277 408 L HA 0.415 3.931 4.340 -1.373 0.000 0.284 408 L C 1.417 178.272 176.870 -0.025 0.000 1.028 408 L CA -0.296 54.501 54.840 -0.072 0.000 0.835 408 L CB 1.596 43.610 42.059 -0.075 0.000 1.215 408 L HN 0.787 nan 8.230 nan 0.000 0.425 409 G N 1.987 110.775 108.800 -0.019 0.000 2.443 409 G HA2 0.201 3.337 3.960 -1.373 0.000 0.219 409 G HA3 0.201 3.337 3.960 -1.373 0.000 0.219 409 G C 0.903 175.905 174.900 0.171 0.000 1.131 409 G CA 0.646 45.860 45.100 0.190 0.000 0.775 409 G HN 0.904 nan 8.290 nan 0.000 0.547 410 G N -0.308 108.536 108.800 0.074 0.000 2.641 410 G HA2 0.215 3.351 3.960 -1.373 0.000 0.254 410 G HA3 0.215 3.351 3.960 -1.373 0.000 0.254 410 G C 0.550 175.475 174.900 0.041 0.000 1.315 410 G CA 0.228 45.356 45.100 0.046 0.000 0.907 410 G HN 1.463 nan 8.290 nan 0.000 0.572 411 A N -0.560 122.277 122.820 0.029 0.000 2.429 411 A HA 0.788 4.284 4.320 -1.373 0.000 0.242 411 A C 1.812 179.413 177.584 0.027 0.000 1.088 411 A CA 2.199 54.249 52.037 0.021 0.000 0.784 411 A CB -0.230 18.778 19.000 0.013 0.000 1.038 411 A HN 3.033 nan 8.150 nan 0.000 0.501 412 G N 0.275 109.086 108.800 0.018 0.000 2.631 412 G HA2 -0.098 3.039 3.960 -1.373 0.000 0.504 412 G HA3 -0.098 3.039 3.960 -1.373 0.000 0.504 412 G C -0.735 174.178 174.900 0.022 0.000 1.306 412 G CA -0.311 44.798 45.100 0.016 0.000 0.897 412 G HN 1.014 nan 8.290 nan 0.000 0.520 413 N N 2.143 120.852 118.700 0.016 0.000 2.485 413 N HA 0.321 4.237 4.740 -1.373 0.000 0.243 413 N C -0.331 175.200 175.510 0.035 0.000 0.987 413 N CA -0.376 52.686 53.050 0.021 0.000 0.940 413 N CB 0.596 39.087 38.487 0.008 0.000 1.122 413 N HN 0.530 nan 8.380 nan 0.000 0.509 414 N N 0.740 119.481 118.700 0.068 0.000 2.443 414 N HA 0.460 4.376 4.740 -1.373 0.000 0.293 414 N C -0.454 175.136 175.510 0.133 0.000 1.159 414 N CA -0.142 52.982 53.050 0.124 0.000 0.904 414 N CB 1.816 40.441 38.487 0.230 0.000 1.214 414 N HN 0.206 nan 8.380 nan 0.000 0.513 415 T N 0.982 115.644 114.554 0.180 0.000 2.886 415 T HA 0.342 3.868 4.350 -1.373 0.000 0.292 415 T C -0.816 174.041 174.700 0.261 0.000 1.012 415 T CA -0.503 61.692 62.100 0.160 0.000 0.982 415 T CB 1.594 70.521 68.868 0.100 0.000 1.018 415 T HN 0.238 nan 8.240 nan 0.000 0.451 416 L N 3.443 124.774 121.223 0.181 0.000 2.280 416 L HA 0.599 4.116 4.340 -1.373 0.000 0.287 416 L C -0.780 176.150 176.870 0.100 0.000 1.023 416 L CA -0.538 54.404 54.840 0.170 0.000 0.819 416 L CB 0.994 43.093 42.059 0.068 0.000 1.212 416 L HN 0.528 nan 8.230 nan 0.000 0.420 417 D N 4.434 124.908 120.400 0.123 0.000 2.396 417 D HA 0.207 4.024 4.640 -1.373 0.000 0.225 417 D C 0.714 177.022 176.300 0.013 0.000 1.121 417 D CA -0.070 53.974 54.000 0.074 0.000 0.853 417 D CB 0.830 41.701 40.800 0.118 0.000 1.043 417 D HN 0.655 nan 8.370 nan 0.000 0.500 418 L N 2.784 123.984 121.223 -0.039 0.000 2.418 418 L HA 0.028 3.544 4.340 -1.373 0.000 0.218 418 L C 1.217 178.117 176.870 0.051 0.000 1.125 418 L CA 0.128 54.919 54.840 -0.081 0.000 0.835 418 L CB -0.341 41.477 42.059 -0.401 0.000 0.953 418 L HN 0.551 nan 8.230 nan 0.000 0.454 419 Q N -0.678 119.145 119.800 0.037 0.000 2.406 419 Q HA -0.234 3.282 4.340 -1.373 0.000 0.236 419 Q C -0.338 175.704 176.000 0.070 0.000 0.799 419 Q CA 1.228 57.051 55.803 0.034 0.000 1.286 419 Q CB -1.191 27.540 28.738 -0.011 0.000 1.615 419 Q HN 0.520 nan 8.270 nan 0.000 0.621 420 K N -0.598 119.888 120.400 0.144 0.000 2.499 420 K HA 0.531 4.028 4.320 -1.373 0.000 0.277 420 K C -0.672 176.051 176.600 0.205 0.000 1.025 420 K CA -0.621 55.767 56.287 0.167 0.000 0.900 420 K CB 1.766 34.397 32.500 0.218 0.000 1.494 420 K HN -0.015 nan 8.250 nan 0.000 0.442 421 S N 0.245 116.030 115.700 0.142 0.000 2.562 421 S HA -0.002 3.644 4.470 -1.373 0.000 0.281 421 S C 1.165 175.913 174.600 0.247 0.000 1.333 421 S CA -0.376 57.897 58.200 0.122 0.000 1.052 421 S CB 1.032 64.255 63.200 0.038 0.000 0.884 421 S HN 0.474 nan 8.310 nan 0.000 0.506 422 V N 5.041 125.066 119.914 0.184 0.000 2.568 422 V HA -0.190 3.107 4.120 -1.373 0.000 0.253 422 V C 1.722 177.977 176.094 0.269 0.000 1.072 422 V CA 2.603 65.045 62.300 0.236 0.000 1.084 422 V CB -1.032 30.792 31.823 0.003 0.000 0.676 422 V HN 0.939 nan 8.190 nan 0.000 0.469 423 N N -0.204 118.571 118.700 0.125 0.000 2.453 423 N HA -0.114 3.802 4.740 -1.373 0.000 0.183 423 N C 1.528 177.053 175.510 0.026 0.000 1.041 423 N CA 1.385 54.476 53.050 0.069 0.000 0.900 423 N CB -0.095 38.398 38.487 0.010 0.000 0.961 423 N HN 0.718 nan 8.380 nan 0.000 0.443 424 T N -2.375 112.169 114.554 -0.015 0.000 3.107 424 T HA 0.152 3.679 4.350 -1.373 0.000 0.249 424 T C 0.125 174.540 174.700 -0.475 0.000 1.096 424 T CA 0.032 61.976 62.100 -0.260 0.000 1.012 424 T CB -0.198 68.432 68.868 -0.397 0.000 0.977 424 T HN -0.092 nan 8.240 nan 0.000 0.527 425 F N 1.376 121.273 119.950 -0.088 0.000 2.538 425 F HA 0.625 4.329 4.527 -1.373 0.000 0.325 425 F C -0.243 175.370 175.800 -0.311 0.000 1.066 425 F CA -1.411 56.423 58.000 -0.277 0.000 0.946 425 F CB 1.552 40.259 39.000 -0.488 0.000 1.199 425 F HN -0.051 nan 8.300 nan 0.000 0.473 426 D N 1.200 121.462 120.400 -0.229 0.000 2.252 426 D HA 0.463 4.279 4.640 -1.373 0.000 0.245 426 D C -1.204 174.813 176.300 -0.472 0.000 1.009 426 D CA -0.157 53.745 54.000 -0.164 0.000 0.870 426 D CB 2.089 42.903 40.800 0.023 0.000 1.251 426 D HN 0.147 nan 8.370 nan 0.000 0.460 427 F N 0.559 120.542 119.950 0.054 0.000 2.547 427 F HA 0.636 4.339 4.527 -1.373 0.000 0.316 427 F C 0.235 175.972 175.800 -0.105 0.000 1.121 427 F CA -0.797 57.222 58.000 0.032 0.000 0.911 427 F CB 2.031 41.131 39.000 0.166 0.000 1.179 427 F HN 0.331 nan 8.300 nan 0.000 0.443 428 A N 2.542 125.214 122.820 -0.248 0.000 2.479 428 A HA 0.810 4.307 4.320 -1.373 0.000 0.296 428 A C -1.531 175.758 177.584 -0.492 0.000 1.121 428 A CA -0.689 51.003 52.037 -0.575 0.000 0.743 428 A CB 2.060 20.172 19.000 -1.481 0.000 1.323 428 A HN 0.655 nan 8.150 nan 0.000 0.415 429 N N 0.225 118.553 118.700 -0.620 0.000 2.425 429 N HA 0.210 4.127 4.740 -1.373 0.000 0.289 429 N C -1.170 173.937 175.510 -0.671 0.000 1.074 429 N CA -0.183 52.472 53.050 -0.658 0.000 0.905 429 N CB 1.998 39.797 38.487 -1.146 0.000 1.586 429 N HN 0.654 nan 8.380 nan 0.000 0.490 430 D N 1.913 121.844 120.400 -0.782 0.000 2.340 430 D HA 0.163 3.980 4.640 -1.373 0.000 0.220 430 D C 1.217 177.258 176.300 -0.432 0.000 1.039 430 D CA 0.711 54.066 54.000 -1.074 0.000 0.866 430 D CB -0.276 39.861 40.800 -1.106 0.000 0.913 430 D HN 0.811 nan 8.370 nan 0.000 0.523 431 G N -0.052 108.570 108.800 -0.296 0.000 2.189 431 G HA2 -0.286 2.850 3.960 -1.373 0.000 0.267 431 G HA3 -0.286 2.850 3.960 -1.373 0.000 0.267 431 G C 0.897 175.729 174.900 -0.114 0.000 0.975 431 G CA 0.404 45.413 45.100 -0.152 0.000 0.644 431 G HN 0.931 nan 8.290 nan 0.000 0.537 432 A N -0.428 122.310 122.820 -0.137 0.000 2.545 432 A HA 0.676 4.172 4.320 -1.373 0.000 0.277 432 A C 2.090 179.621 177.584 -0.088 0.000 1.301 432 A CA 1.393 53.380 52.037 -0.083 0.000 0.935 432 A CB -0.329 18.639 19.000 -0.054 0.000 1.093 432 A HN 2.323 nan 8.150 nan 0.000 0.519 433 G N -0.194 108.537 108.800 -0.116 0.000 2.176 433 G HA2 -0.208 2.928 3.960 -1.373 0.000 0.232 433 G HA3 -0.208 2.928 3.960 -1.373 0.000 0.232 433 G C -0.242 174.561 174.900 -0.162 0.000 0.986 433 G CA -0.035 44.998 45.100 -0.111 0.000 0.643 433 G HN 0.471 nan 8.290 nan 0.000 0.522 434 N N 0.425 118.989 118.700 -0.228 0.000 2.422 434 N HA 0.508 4.425 4.740 -1.373 0.000 0.266 434 N C -0.662 174.565 175.510 -0.471 0.000 1.007 434 N CA -0.273 52.543 53.050 -0.389 0.000 0.941 434 N CB 2.108 40.294 38.487 -0.501 0.000 1.115 434 N HN 0.354 nan 8.380 nan 0.000 0.492 435 L N 3.723 124.697 121.223 -0.415 0.000 2.272 435 L HA 0.421 3.938 4.340 -1.373 0.000 0.289 435 L C -1.348 175.327 176.870 -0.325 0.000 1.032 435 L CA -0.549 54.114 54.840 -0.296 0.000 0.810 435 L CB 0.209 42.189 42.059 -0.131 0.000 1.205 435 L HN 0.344 nan 8.230 nan 0.000 0.422 436 Y N 4.228 124.448 120.300 -0.134 0.000 2.320 436 Y HA 0.596 4.323 4.550 -1.372 0.000 0.334 436 Y C -0.086 175.763 175.900 -0.084 0.000 1.055 436 Y CA -0.759 57.299 58.100 -0.070 0.000 1.143 436 Y CB 1.657 40.077 38.460 -0.066 0.000 1.193 436 Y HN 0.289 nan 8.280 nan 0.000 0.477 437 V N 4.877 124.831 119.914 0.068 0.000 2.378 437 V HA 0.471 3.767 4.120 -1.373 0.000 0.288 437 V C -0.423 175.664 176.094 -0.012 0.000 1.016 437 V CA -1.041 61.202 62.300 -0.094 0.000 0.840 437 V CB 1.473 33.230 31.823 -0.109 0.000 0.994 437 V HN 0.706 nan 8.190 nan 0.000 0.431 438 R N 3.225 123.702 120.500 -0.038 0.000 2.343 438 R HA 0.489 4.005 4.340 -1.373 0.000 0.320 438 R C -0.554 175.748 176.300 0.003 0.000 0.956 438 R CA -0.561 55.563 56.100 0.040 0.000 0.836 438 R CB 1.268 31.650 30.300 0.137 0.000 1.151 438 R HN 0.928 nan 8.270 nan 0.000 0.450 439 D N 3.353 123.724 120.400 -0.048 0.000 2.433 439 D HA 0.131 3.948 4.640 -1.373 0.000 0.255 439 D C 0.858 176.978 176.300 -0.301 0.000 1.226 439 D CA -0.298 53.538 54.000 -0.274 0.000 1.015 439 D CB 0.750 41.428 40.800 -0.203 0.000 1.091 439 D HN 0.426 nan 8.370 nan 0.000 0.527 440 A N 0.051 122.630 122.820 -0.402 0.000 2.070 440 A HA -0.168 3.329 4.320 -1.373 0.000 0.220 440 A C 1.509 178.991 177.584 -0.170 0.000 1.159 440 A CA 0.963 52.841 52.037 -0.265 0.000 0.656 440 A CB -0.687 18.151 19.000 -0.271 0.000 0.800 440 A HN 0.537 nan 8.150 nan 0.000 0.453 441 N N -1.039 117.561 118.700 -0.165 0.000 2.336 441 N HA 0.184 4.100 4.740 -1.373 0.000 0.189 441 N C 1.123 176.574 175.510 -0.097 0.000 1.113 441 N CA 1.022 54.003 53.050 -0.114 0.000 0.858 441 N CB 0.532 38.956 38.487 -0.106 0.000 0.970 441 N HN 0.615 nan 8.380 nan 0.000 0.471 442 G N -0.607 108.123 108.800 -0.116 0.000 2.175 442 G HA2 -0.204 2.932 3.960 -1.373 0.000 0.244 442 G HA3 -0.204 2.932 3.960 -1.373 0.000 0.244 442 G C 0.491 175.288 174.900 -0.171 0.000 0.982 442 G CA -0.096 44.957 45.100 -0.078 0.000 0.641 442 G HN 0.576 nan 8.290 nan 0.000 0.527 443 G N -0.110 108.477 108.800 -0.356 0.000 2.398 443 G HA2 0.507 3.643 3.960 -1.373 0.000 0.246 443 G HA3 0.507 3.643 3.960 -1.373 0.000 0.246 443 G C -0.021 174.628 174.900 -0.418 0.000 1.289 443 G CA -0.086 44.543 45.100 -0.784 0.000 0.869 443 G HN 0.684 nan 8.290 nan 0.000 0.543 444 I N 1.111 121.445 120.570 -0.393 0.000 2.406 444 I HA 0.239 3.586 4.170 -1.373 0.000 0.290 444 I C 0.013 176.145 176.117 0.025 0.000 0.999 444 I CA -0.430 60.880 61.300 0.016 0.000 1.124 444 I CB 2.169 40.320 38.000 0.252 0.000 1.289 444 I HN 0.290 nan 8.210 nan 0.000 0.441 445 S N 6.680 122.395 115.700 0.027 0.000 2.437 445 S HA 0.581 4.228 4.470 -1.373 0.000 0.305 445 S C -0.222 174.382 174.600 0.007 0.000 1.109 445 S CA -0.528 57.664 58.200 -0.012 0.000 1.099 445 S CB 1.072 64.234 63.200 -0.064 0.000 1.004 445 S HN 0.335 nan 8.310 nan 0.000 0.475 446 I N 3.624 124.179 120.570 -0.024 0.000 2.315 446 I HA 0.304 3.651 4.170 -1.373 0.000 0.291 446 I C 0.647 176.662 176.117 -0.171 0.000 1.006 446 I CA -0.245 60.960 61.300 -0.158 0.000 1.265 446 I CB 1.092 39.043 38.000 -0.082 0.000 1.387 446 I HN 0.578 nan 8.210 nan 0.000 0.475 447 T N 4.006 118.413 114.554 -0.244 0.000 2.887 447 T HA 0.676 4.203 4.350 -1.373 0.000 0.288 447 T C -0.361 174.226 174.700 -0.188 0.000 1.021 447 T CA -0.975 61.011 62.100 -0.190 0.000 1.000 447 T CB 2.004 70.773 68.868 -0.166 0.000 1.034 447 T HN 0.544 nan 8.240 nan 0.000 0.467 448 R N 1.320 121.737 120.500 -0.139 0.000 2.744 448 R HA 0.433 3.949 4.340 -1.373 0.000 0.279 448 R C -0.853 175.401 176.300 -0.075 0.000 0.977 448 R CA -0.830 55.206 56.100 -0.107 0.000 0.906 448 R CB 1.347 31.597 30.300 -0.083 0.000 1.197 448 R HN 0.861 nan 8.270 nan 0.000 0.463 449 D N 1.201 121.570 120.400 -0.051 0.000 2.837 449 D HA -0.194 3.623 4.640 -1.373 0.000 0.230 449 D C -0.514 175.790 176.300 0.007 0.000 1.152 449 D CA 1.210 55.201 54.000 -0.016 0.000 0.736 449 D CB -0.770 40.029 40.800 -0.002 0.000 1.084 449 D HN 0.412 nan 8.370 nan 0.000 0.429 450 I N 0.342 120.905 120.570 -0.012 0.000 2.354 450 I HA 0.313 3.660 4.170 -1.373 0.000 0.286 450 I C 1.623 177.747 176.117 0.013 0.000 1.007 450 I CA -0.173 61.139 61.300 0.020 0.000 1.167 450 I CB 1.782 39.781 38.000 -0.002 0.000 1.320 450 I HN -0.000 nan 8.210 nan 0.000 0.458 451 G N 3.542 112.357 108.800 0.025 0.000 2.887 451 G HA2 0.105 3.242 3.960 -1.373 0.000 0.211 451 G HA3 0.105 3.242 3.960 -1.373 0.000 0.211 451 G C 0.346 175.254 174.900 0.013 0.000 1.152 451 G CA 0.129 45.237 45.100 0.013 0.000 0.769 451 G HN 0.504 nan 8.290 nan 0.000 0.541 452 S N 0.346 116.061 115.700 0.026 0.000 2.532 452 S HA 0.634 4.280 4.470 -1.373 0.000 0.299 452 S C -1.053 173.568 174.600 0.035 0.000 1.105 452 S CA -0.514 57.702 58.200 0.026 0.000 1.018 452 S CB 2.074 65.290 63.200 0.026 0.000 1.021 452 S HN 0.004 nan 8.310 nan 0.000 0.483 453 I N 2.928 123.517 120.570 0.032 0.000 2.406 453 I HA 0.440 3.787 4.170 -1.373 0.000 0.290 453 I C -0.479 175.703 176.117 0.109 0.000 0.999 453 I CA -0.749 60.564 61.300 0.022 0.000 1.124 453 I CB 1.546 39.479 38.000 -0.111 0.000 1.289 453 I HN 0.301 nan 8.210 nan 0.000 0.441 454 V N 5.673 125.635 119.914 0.079 0.000 2.398 454 V HA 0.522 3.818 4.120 -1.373 0.000 0.286 454 V C 0.420 176.564 176.094 0.084 0.000 1.026 454 V CA -0.368 61.988 62.300 0.093 0.000 0.868 454 V CB 1.888 33.748 31.823 0.062 0.000 0.982 454 V HN 0.940 nan 8.190 nan 0.000 0.443 455 T N 1.718 116.355 114.554 0.139 0.000 2.924 455 T HA 0.615 4.142 4.350 -1.373 0.000 0.291 455 T C -0.704 174.041 174.700 0.075 0.000 1.045 455 T CA -0.939 61.230 62.100 0.115 0.000 1.015 455 T CB 2.112 71.086 68.868 0.177 0.000 1.103 455 T HN 0.528 nan 8.240 nan 0.000 0.496 456 K N 1.364 121.801 120.400 0.062 0.000 2.367 456 K HA 0.303 3.799 4.320 -1.373 0.000 0.263 456 K C -0.858 175.747 176.600 0.009 0.000 1.000 456 K CA -0.533 55.768 56.287 0.024 0.000 0.891 456 K CB 0.717 33.228 32.500 0.018 0.000 1.117 456 K HN 0.548 nan 8.250 nan 0.000 0.443 457 E N 5.344 125.528 120.200 -0.027 0.000 2.113 457 E HA 0.167 3.694 4.350 -1.373 0.000 0.273 457 E C -2.071 174.471 176.600 -0.097 0.000 0.924 457 E CA -2.330 54.035 56.400 -0.058 0.000 0.764 457 E CB 1.667 31.320 29.700 -0.080 0.000 1.104 457 E HN 0.447 nan 8.360 nan 0.000 0.406 458 P HA -0.002 nan 4.420 nan 0.000 0.225 458 P C 0.458 177.683 177.300 -0.126 0.000 1.156 458 P CA 0.567 63.615 63.100 -0.087 0.000 0.787 458 P CB 0.575 32.243 31.700 -0.052 0.000 0.802 459 G N -1.526 107.198 108.800 -0.127 0.000 3.016 459 G HA2 0.498 3.635 3.960 -1.373 0.000 0.270 459 G HA3 0.498 3.635 3.960 -1.373 0.000 0.270 459 G C -1.322 173.450 174.900 -0.213 0.000 1.352 459 G CA -0.673 44.351 45.100 -0.127 0.000 1.060 459 G HN -0.146 nan 8.290 nan 0.000 0.538 460 F N 0.568 120.506 119.950 -0.020 0.000 2.439 460 F HA 0.267 3.971 4.527 -1.372 0.000 0.356 460 F C 0.639 176.409 175.800 -0.049 0.000 1.161 460 F CA -0.516 57.470 58.000 -0.023 0.000 1.151 460 F CB 0.999 39.980 39.000 -0.031 0.000 1.222 460 F HN 0.076 nan 8.300 nan 0.000 0.558 461 L N 5.717 126.948 121.223 0.014 0.000 2.559 461 L HA -0.075 3.441 4.340 -1.373 0.000 0.274 461 L C -0.025 176.814 176.870 -0.052 0.000 1.205 461 L CA -0.003 54.708 54.840 -0.215 0.000 0.907 461 L CB -0.324 41.470 42.059 -0.442 0.000 1.153 461 L HN 0.680 nan 8.230 nan 0.000 0.490 462 W N 4.223 125.590 121.300 0.111 0.000 3.572 462 W HA -0.253 3.583 4.660 -1.373 0.000 0.298 462 W C 1.329 177.855 176.519 0.011 0.000 1.113 462 W CA 0.930 58.311 57.345 0.060 0.000 0.657 462 W CB -2.332 27.168 29.460 0.066 0.000 2.150 462 W HN 1.122 nan 8.180 nan 0.000 1.471 463 G N -0.458 108.453 108.800 0.185 0.000 2.153 463 G HA2 -0.295 2.841 3.960 -1.373 0.000 0.252 463 G HA3 -0.295 2.841 3.960 -1.373 0.000 0.252 463 G C 0.638 175.534 174.900 -0.006 0.000 0.994 463 G CA 0.551 45.704 45.100 0.088 0.000 0.698 463 G HN 0.428 nan 8.290 nan 0.000 0.521 464 L N -2.586 118.643 121.223 0.011 0.000 2.678 464 L HA 0.498 4.014 4.340 -1.373 0.000 0.211 464 L C 0.258 176.937 176.870 -0.318 0.000 1.043 464 L CA 0.122 54.749 54.840 -0.355 0.000 0.881 464 L CB 0.374 41.961 42.059 -0.787 0.000 1.361 464 L HN 0.084 nan 8.230 nan 0.000 0.484 465 F N 0.877 121.008 119.950 0.302 0.000 2.477 465 F HA 0.501 4.204 4.527 -1.372 0.000 0.335 465 F C 0.048 175.832 175.800 -0.027 0.000 1.130 465 F CA -0.779 57.318 58.000 0.162 0.000 0.948 465 F CB 1.481 40.536 39.000 0.091 0.000 1.154 465 F HN -0.233 nan 8.300 nan 0.000 0.439 466 K N 2.063 122.451 120.400 -0.020 0.000 2.238 466 K HA 0.487 3.983 4.320 -1.373 0.000 0.239 466 K C -0.402 176.117 176.600 -0.135 0.000 0.987 466 K CA -0.329 55.761 56.287 -0.329 0.000 0.857 466 K CB 1.140 33.068 32.500 -0.953 0.000 1.154 466 K HN 0.755 nan 8.250 nan 0.000 0.439 467 D N 0.144 120.460 120.400 -0.140 0.000 3.624 467 D HA -0.217 3.600 4.640 -1.373 0.000 0.176 467 D C -0.899 175.379 176.300 -0.036 0.000 1.162 467 D CA 1.068 55.025 54.000 -0.072 0.000 1.089 467 D CB -0.699 40.068 40.800 -0.055 0.000 0.579 467 D HN 0.644 nan 8.370 nan 0.000 0.658 468 D N 0.902 121.289 120.400 -0.020 0.000 2.343 468 D HA 0.425 4.242 4.640 -1.373 0.000 0.255 468 D C -0.400 175.872 176.300 -0.047 0.000 1.187 468 D CA 0.118 54.109 54.000 -0.016 0.000 0.875 468 D CB 0.976 41.775 40.800 -0.003 0.000 1.136 468 D HN 0.088 nan 8.370 nan 0.000 0.469 469 V N 2.986 122.859 119.914 -0.068 0.000 2.487 469 V HA 0.318 3.614 4.120 -1.373 0.000 0.298 469 V C 0.314 176.266 176.094 -0.237 0.000 1.028 469 V CA -0.680 61.498 62.300 -0.203 0.000 0.860 469 V CB 2.118 33.789 31.823 -0.254 0.000 0.991 469 V HN 0.444 nan 8.190 nan 0.000 0.427 470 T N 4.454 118.835 114.554 -0.288 0.000 2.743 470 T HA 0.495 4.022 4.350 -1.373 0.000 0.292 470 T C -0.572 173.958 174.700 -0.284 0.000 0.972 470 T CA -0.234 61.755 62.100 -0.184 0.000 0.967 470 T CB 0.116 68.917 68.868 -0.111 0.000 0.926 470 T HN 0.695 nan 8.240 nan 0.000 0.459 471 H N 0.651 119.669 119.070 -0.086 0.000 2.457 471 H HA 0.553 4.285 4.556 -1.373 0.000 0.335 471 H C 0.165 175.439 175.328 -0.089 0.000 1.115 471 H CA -0.477 55.518 56.048 -0.088 0.000 1.219 471 H CB 1.187 30.875 29.762 -0.124 0.000 1.471 471 H HN 0.486 nan 8.280 nan 0.000 0.491 472 S N 1.999 117.713 115.700 0.025 0.000 2.513 472 S HA 0.267 3.913 4.470 -1.373 0.000 0.276 472 S C -0.251 174.338 174.600 -0.018 0.000 1.254 472 S CA -0.831 57.365 58.200 -0.006 0.000 1.053 472 S CB 0.235 63.421 63.200 -0.024 0.000 0.958 472 S HN 0.414 nan 8.310 nan 0.000 0.491 473 V N 6.114 126.021 119.914 -0.011 0.000 2.427 473 V HA 0.397 3.694 4.120 -1.373 0.000 0.268 473 V C 0.825 176.933 176.094 0.024 0.000 1.046 473 V CA -0.127 62.176 62.300 0.006 0.000 0.970 473 V CB 0.228 32.061 31.823 0.017 0.000 1.001 473 V HN 1.028 nan 8.190 nan 0.000 0.476 474 T N 1.904 116.478 114.554 0.034 0.000 2.887 474 T HA 0.676 4.203 4.350 -1.373 0.000 0.292 474 T C 1.059 175.826 174.700 0.113 0.000 1.087 474 T CA -0.073 62.047 62.100 0.033 0.000 1.009 474 T CB 2.057 70.913 68.868 -0.019 0.000 1.203 474 T HN 0.533 nan 8.240 nan 0.000 0.518 475 A N 0.945 123.817 122.820 0.087 0.000 2.024 475 A HA 0.025 3.522 4.320 -1.373 0.000 0.220 475 A C 2.286 179.976 177.584 0.177 0.000 1.164 475 A CA 2.037 54.153 52.037 0.131 0.000 0.643 475 A CB -1.191 17.844 19.000 0.059 0.000 0.806 475 A HN 1.326 nan 8.150 nan 0.000 0.451 476 S N -2.439 113.284 115.700 0.040 0.000 2.556 476 S HA 0.498 4.144 4.470 -1.373 0.000 0.216 476 S C 0.840 175.270 174.600 -0.283 0.000 0.970 476 S CA 0.721 58.892 58.200 -0.049 0.000 0.912 476 S CB -0.149 63.017 63.200 -0.056 0.000 0.790 476 S HN 1.864 nan 8.310 nan 0.000 0.504 477 G N 0.702 109.173 108.800 -0.548 0.000 2.325 477 G HA2 0.142 3.279 3.960 -1.373 0.000 0.285 477 G HA3 0.142 3.279 3.960 -1.373 0.000 0.285 477 G C -1.604 172.965 174.900 -0.551 0.000 1.303 477 G CA -0.975 43.495 45.100 -1.050 0.000 0.970 477 G HN 0.336 nan 8.290 nan 0.000 0.490 478 L N 0.713 121.655 121.223 -0.469 0.000 2.281 478 L HA 0.493 4.010 4.340 -1.373 0.000 0.285 478 L C 0.451 177.275 176.870 -0.077 0.000 1.074 478 L CA -0.341 54.350 54.840 -0.249 0.000 0.817 478 L CB 1.070 42.888 42.059 -0.401 0.000 1.168 478 L HN 0.370 nan 8.230 nan 0.000 0.434 479 K N 3.072 123.454 120.400 -0.030 0.000 2.244 479 K HA 0.583 4.079 4.320 -1.373 0.000 0.260 479 K C -1.117 175.477 176.600 -0.009 0.000 0.951 479 K CA -0.671 55.597 56.287 -0.031 0.000 0.826 479 K CB 2.732 35.191 32.500 -0.069 0.000 1.108 479 K HN 0.266 nan 8.250 nan 0.000 0.433 480 V N 3.194 123.090 119.914 -0.029 0.000 2.325 480 V HA 0.305 3.602 4.120 -1.373 0.000 0.280 480 V C 0.849 176.885 176.094 -0.096 0.000 1.016 480 V CA -0.127 62.120 62.300 -0.089 0.000 0.818 480 V CB 0.339 32.150 31.823 -0.020 0.000 1.019 480 V HN 1.162 nan 8.190 nan 0.000 0.434 481 G N 5.212 113.962 108.800 -0.083 0.000 2.634 481 G HA2 -0.372 2.764 3.960 -1.373 0.000 0.318 481 G HA3 -0.372 2.764 3.960 -1.373 0.000 0.318 481 G C 1.228 176.077 174.900 -0.085 0.000 1.207 481 G CA 1.141 46.208 45.100 -0.055 0.000 0.987 481 G HN 1.437 nan 8.290 nan 0.000 0.547 482 S N 0.906 116.547 115.700 -0.099 0.000 2.548 482 S HA 0.197 3.843 4.470 -1.373 0.000 0.215 482 S C 0.694 175.159 174.600 -0.224 0.000 0.976 482 S CA 0.637 58.759 58.200 -0.131 0.000 0.908 482 S CB -0.051 63.087 63.200 -0.103 0.000 0.781 482 S HN 0.654 nan 8.310 nan 0.000 0.519 483 N N 1.746 120.239 118.700 -0.344 0.000 2.514 483 N HA 0.378 4.295 4.740 -1.373 0.000 0.277 483 N C -1.195 174.050 175.510 -0.442 0.000 1.126 483 N CA -0.091 52.562 53.050 -0.662 0.000 0.978 483 N CB 1.814 39.432 38.487 -1.448 0.000 1.106 483 N HN 0.069 nan 8.380 nan 0.000 0.461 484 V N 1.638 121.354 119.914 -0.329 0.000 2.531 484 V HA 0.249 3.546 4.120 -1.373 0.000 0.301 484 V C 0.074 176.174 176.094 0.011 0.000 1.034 484 V CA -0.730 61.490 62.300 -0.133 0.000 0.865 484 V CB 1.956 33.694 31.823 -0.142 0.000 0.995 484 V HN 0.573 nan 8.190 nan 0.000 0.424 485 T N 5.068 119.663 114.554 0.069 0.000 2.727 485 T HA 0.306 3.832 4.350 -1.373 0.000 0.298 485 T C 0.000 174.625 174.700 -0.125 0.000 0.942 485 T CA -0.179 61.960 62.100 0.065 0.000 0.997 485 T CB 0.434 69.325 68.868 0.038 0.000 0.917 485 T HN 0.654 nan 8.240 nan 0.000 0.487 486 Q N 2.126 121.886 119.800 -0.067 0.000 2.373 486 Q HA 0.210 3.727 4.340 -1.373 0.000 0.255 486 Q C -0.480 175.476 176.000 -0.073 0.000 0.980 486 Q CA -0.444 55.280 55.803 -0.132 0.000 0.882 486 Q CB 0.593 29.311 28.738 -0.033 0.000 1.249 486 Q HN 0.550 nan 8.270 nan 0.000 0.438 487 Y N 0.892 121.205 120.300 0.021 0.000 2.457 487 Y HA -0.048 3.678 4.550 -1.373 0.000 0.341 487 Y C 0.369 176.263 175.900 -0.009 0.000 1.240 487 Y CA -0.293 57.812 58.100 0.007 0.000 1.437 487 Y CB 0.158 38.602 38.460 -0.026 0.000 1.328 487 Y HN 0.558 nan 8.280 nan 0.000 0.588 488 D N 0.815 121.288 120.400 0.122 0.000 2.449 488 D HA 0.267 4.083 4.640 -1.373 0.000 0.236 488 D C -0.247 176.092 176.300 0.066 0.000 1.149 488 D CA 0.374 54.403 54.000 0.048 0.000 0.878 488 D CB 0.506 41.303 40.800 -0.004 0.000 1.198 488 D HN 0.713 nan 8.370 nan 0.000 0.446 489 A N 2.081 124.961 122.820 0.100 0.000 2.584 489 A HA 0.375 3.872 4.320 -1.373 0.000 0.239 489 A C 0.351 178.009 177.584 0.125 0.000 1.043 489 A CA 0.354 52.450 52.037 0.097 0.000 0.756 489 A CB -0.230 18.814 19.000 0.074 0.000 0.963 489 A HN 0.508 nan 8.150 nan 0.000 0.511 490 S N 0.966 116.739 115.700 0.121 0.000 2.588 490 S HA 0.735 4.382 4.470 -1.373 0.000 0.275 490 S C -0.986 173.684 174.600 0.117 0.000 1.130 490 S CA -0.662 57.612 58.200 0.124 0.000 0.855 490 S CB 1.763 65.113 63.200 0.250 0.000 1.116 490 S HN 1.075 nan 8.310 nan 0.000 0.472 491 V N 1.941 121.892 119.914 0.062 0.000 2.483 491 V HA 0.509 3.805 4.120 -1.373 0.000 0.297 491 V C -0.537 175.632 176.094 0.124 0.000 1.027 491 V CA -0.675 61.668 62.300 0.072 0.000 0.855 491 V CB 1.464 33.281 31.823 -0.010 0.000 0.995 491 V HN 0.898 nan 8.190 nan 0.000 0.424 492 K N 2.963 123.461 120.400 0.163 0.000 2.159 492 K HA 0.684 4.181 4.320 -1.373 0.000 0.266 492 K C 0.581 177.254 176.600 0.122 0.000 0.975 492 K CA -0.374 56.031 56.287 0.197 0.000 0.865 492 K CB 2.402 34.997 32.500 0.157 0.000 1.087 492 K HN 0.810 nan 8.250 nan 0.000 0.446 493 G N 0.860 109.736 108.800 0.127 0.000 2.714 493 G HA2 0.367 3.503 3.960 -1.373 0.000 0.197 493 G HA3 0.367 3.503 3.960 -1.373 0.000 0.197 493 G C -0.172 174.775 174.900 0.079 0.000 1.449 493 G CA -0.173 44.982 45.100 0.092 0.000 1.065 493 G HN 0.615 nan 8.290 nan 0.000 0.575 494 T N -3.588 111.010 114.554 0.072 0.000 2.742 494 T HA 0.349 3.875 4.350 -1.373 0.000 0.282 494 T C 0.303 175.041 174.700 0.064 0.000 1.025 494 T CA -0.799 61.337 62.100 0.060 0.000 1.020 494 T CB 1.631 70.529 68.868 0.051 0.000 1.317 494 T HN 0.157 nan 8.240 nan 0.000 0.538 495 N N 0.048 118.781 118.700 0.055 0.000 2.449 495 N HA 0.221 4.138 4.740 -1.373 0.000 0.191 495 N C 0.813 176.357 175.510 0.057 0.000 1.161 495 N CA 0.216 53.301 53.050 0.057 0.000 0.863 495 N CB -0.006 38.510 38.487 0.048 0.000 0.980 495 N HN 0.799 nan 8.380 nan 0.000 0.458 496 G N -0.621 108.213 108.800 0.055 0.000 2.568 496 G HA2 0.597 3.734 3.960 -1.373 0.000 0.293 496 G HA3 0.597 3.734 3.960 -1.373 0.000 0.293 496 G C -0.695 174.244 174.900 0.064 0.000 1.347 496 G CA -0.506 44.627 45.100 0.054 0.000 1.039 496 G HN 0.157 nan 8.290 nan 0.000 0.523 497 A N 0.334 123.191 122.820 0.062 0.000 2.404 497 A HA 0.522 4.018 4.320 -1.373 0.000 0.273 497 A C -0.397 177.233 177.584 0.077 0.000 1.144 497 A CA -0.219 51.861 52.037 0.073 0.000 0.806 497 A CB 0.030 19.069 19.000 0.065 0.000 1.080 497 A HN 0.519 nan 8.150 nan 0.000 0.509 498 D N 1.582 122.037 120.400 0.091 0.000 2.433 498 D HA 0.450 4.266 4.640 -1.373 0.000 0.236 498 D C -0.791 175.575 176.300 0.109 0.000 1.026 498 D CA -0.144 53.907 54.000 0.087 0.000 0.884 498 D CB 1.878 42.723 40.800 0.075 0.000 1.384 498 D HN 0.363 nan 8.370 nan 0.000 0.477 499 T N 1.438 116.048 114.554 0.093 0.000 2.758 499 T HA 0.478 4.005 4.350 -1.373 0.000 0.285 499 T C 0.073 174.767 174.700 -0.011 0.000 0.981 499 T CA -0.506 61.631 62.100 0.061 0.000 0.965 499 T CB 0.552 69.482 68.868 0.103 0.000 0.927 499 T HN 0.078 nan 8.240 nan 0.000 0.448 500 L N 3.658 124.847 121.223 -0.056 0.000 2.341 500 L HA 0.576 4.092 4.340 -1.373 0.000 0.278 500 L C -0.009 176.778 176.870 -0.138 0.000 1.005 500 L CA -0.980 53.815 54.840 -0.074 0.000 0.818 500 L CB 1.898 43.928 42.059 -0.049 0.000 1.259 500 L HN 0.385 nan 8.230 nan 0.000 0.418 501 K N 2.365 122.667 120.400 -0.164 0.000 2.323 501 K HA 0.665 4.162 4.320 -1.373 0.000 0.259 501 K C -0.429 175.992 176.600 -0.299 0.000 0.947 501 K CA -0.541 55.620 56.287 -0.210 0.000 0.819 501 K CB 2.359 34.742 32.500 -0.195 0.000 1.109 501 K HN 0.668 nan 8.250 nan 0.000 0.429 502 A N 2.852 125.510 122.820 -0.271 0.000 2.407 502 A HA 0.201 3.698 4.320 -1.373 0.000 0.248 502 A C -0.551 176.854 177.584 -0.298 0.000 1.082 502 A CA -0.169 51.699 52.037 -0.282 0.000 0.785 502 A CB -0.082 18.761 19.000 -0.262 0.000 1.020 502 A HN 0.740 nan 8.150 nan 0.000 0.489 503 H N 0.479 119.501 119.070 -0.080 0.000 2.546 503 H HA 0.426 4.158 4.556 -1.373 0.000 0.365 503 H C 1.477 176.772 175.328 -0.056 0.000 1.220 503 H CA 0.371 56.387 56.048 -0.053 0.000 1.386 503 H CB 0.955 30.695 29.762 -0.037 0.000 1.510 503 H HN 0.725 nan 8.280 nan 0.000 0.591 504 A N 1.359 124.233 122.820 0.090 0.000 1.978 504 A HA -0.132 3.365 4.320 -1.373 0.000 0.220 504 A C 2.412 180.005 177.584 0.015 0.000 1.170 504 A CA 1.701 53.756 52.037 0.029 0.000 0.636 504 A CB -1.183 17.832 19.000 0.026 0.000 0.810 504 A HN 0.855 nan 8.150 nan 0.000 0.448 505 G N -1.252 107.567 108.800 0.032 0.000 2.679 505 G HA2 0.405 3.542 3.960 -1.373 0.000 0.212 505 G HA3 0.405 3.542 3.960 -1.373 0.000 0.212 505 G C 0.893 175.789 174.900 -0.007 0.000 1.137 505 G CA 0.674 45.779 45.100 0.009 0.000 0.787 505 G HN 1.726 nan 8.290 nan 0.000 0.534 506 G N -0.733 108.055 108.800 -0.020 0.000 2.907 506 G HA2 0.089 3.226 3.960 -1.373 0.000 0.686 506 G HA3 0.089 3.226 3.960 -1.373 0.000 0.686 506 G C -1.469 173.396 174.900 -0.058 0.000 1.115 506 G CA -0.376 44.677 45.100 -0.078 0.000 0.760 506 G HN 0.218 nan 8.290 nan 0.000 0.620 507 D N 0.132 120.439 120.400 -0.156 0.000 2.661 507 D HA 0.466 4.283 4.640 -1.373 0.000 0.228 507 D C -0.524 175.610 176.300 -0.277 0.000 1.183 507 D CA -0.343 53.594 54.000 -0.105 0.000 0.844 507 D CB 1.205 41.949 40.800 -0.094 0.000 1.555 507 D HN 0.365 nan 8.370 nan 0.000 0.453 508 W N 1.673 122.713 121.300 -0.434 0.000 2.304 508 W HA 0.348 4.185 4.660 -1.373 0.000 0.313 508 W C 0.148 176.145 176.519 -0.869 0.000 1.323 508 W CA -0.281 56.617 57.345 -0.745 0.000 1.223 508 W CB 0.255 29.229 29.460 -0.810 0.000 1.237 508 W HN 0.031 nan 8.180 nan 0.000 0.535 509 L N 5.148 125.908 121.223 -0.772 0.000 2.276 509 L HA 0.405 3.922 4.340 -1.373 0.000 0.286 509 L C -0.897 175.675 176.870 -0.496 0.000 1.024 509 L CA -0.808 53.704 54.840 -0.548 0.000 0.826 509 L CB 0.306 42.067 42.059 -0.497 0.000 1.211 509 L HN 0.181 nan 8.230 nan 0.000 0.422 510 F N 1.528 121.459 119.950 -0.032 0.000 2.293 510 F HA 0.336 4.040 4.527 -1.373 0.000 0.370 510 F C 1.321 177.136 175.800 0.026 0.000 1.090 510 F CA -0.713 57.288 58.000 0.003 0.000 1.133 510 F CB 1.379 40.392 39.000 0.022 0.000 1.360 510 F HN 0.518 nan 8.300 nan 0.000 0.489 511 G N 3.020 111.935 108.800 0.191 0.000 2.421 511 G HA2 0.036 3.173 3.960 -1.373 0.000 0.217 511 G HA3 0.036 3.173 3.960 -1.373 0.000 0.217 511 G C 0.845 175.836 174.900 0.152 0.000 1.143 511 G CA 0.286 45.476 45.100 0.151 0.000 0.784 511 G HN 0.625 nan 8.290 nan 0.000 0.541 512 L N -1.056 120.270 121.223 0.172 0.000 7.603 512 L HA -0.214 3.303 4.340 -1.373 0.000 0.092 512 L C -0.191 176.753 176.870 0.123 0.000 1.252 512 L CA 0.777 55.699 54.840 0.136 0.000 1.482 512 L CB -1.098 41.023 42.059 0.104 0.000 2.830 512 L HN 0.124 nan 8.230 nan 0.000 1.159 513 D N 0.597 121.057 120.400 0.100 0.000 2.361 513 D HA 0.464 4.281 4.640 -1.373 0.000 0.239 513 D C 0.610 176.965 176.300 0.092 0.000 1.200 513 D CA 1.235 55.292 54.000 0.094 0.000 0.915 513 D CB 0.550 41.395 40.800 0.075 0.000 1.170 513 D HN 1.023 nan 8.370 nan 0.000 0.444 514 G N 0.480 109.332 108.800 0.088 0.000 2.707 514 G HA2 -0.185 2.951 3.960 -1.373 0.000 0.686 514 G HA3 -0.185 2.951 3.960 -1.373 0.000 0.686 514 G C -0.770 174.187 174.900 0.095 0.000 1.315 514 G CA -0.919 44.230 45.100 0.082 0.000 0.832 514 G HN 0.463 nan 8.290 nan 0.000 0.573 515 N N 2.085 120.837 118.700 0.087 0.000 2.439 515 N HA 0.351 4.267 4.740 -1.373 0.000 0.243 515 N C -0.461 175.113 175.510 0.107 0.000 1.088 515 N CA -0.115 52.991 53.050 0.095 0.000 0.940 515 N CB 0.849 39.380 38.487 0.074 0.000 1.180 515 N HN 0.522 nan 8.380 nan 0.000 0.505 516 D N -0.132 120.348 120.400 0.132 0.000 2.326 516 D HA 0.120 3.936 4.640 -1.373 0.000 0.251 516 D C -0.229 176.195 176.300 0.208 0.000 1.023 516 D CA -0.156 53.936 54.000 0.153 0.000 0.966 516 D CB 1.742 42.627 40.800 0.142 0.000 1.156 516 D HN 0.467 nan 8.370 nan 0.000 0.494 517 H N 1.245 120.364 119.070 0.082 0.000 2.792 517 H HA 0.296 4.028 4.556 -1.373 0.000 0.298 517 H C -1.258 174.126 175.328 0.093 0.000 1.042 517 H CA -0.818 55.278 56.048 0.081 0.000 1.300 517 H CB 0.420 30.218 29.762 0.060 0.000 1.431 517 H HN -0.023 nan 8.280 nan 0.000 0.496 518 L N 7.158 128.452 121.223 0.118 0.000 2.262 518 L HA 0.316 3.832 4.340 -1.373 0.000 0.288 518 L C -0.162 176.781 176.870 0.121 0.000 1.035 518 L CA -0.254 54.648 54.840 0.104 0.000 0.820 518 L CB 1.033 43.263 42.059 0.286 0.000 1.204 518 L HN 0.614 nan 8.230 nan 0.000 0.424 519 I N 3.481 124.021 120.570 -0.050 0.000 2.307 519 I HA 0.340 3.687 4.170 -1.373 0.000 0.287 519 I C 1.115 177.245 176.117 0.021 0.000 1.054 519 I CA -0.361 60.918 61.300 -0.034 0.000 1.218 519 I CB 0.958 38.853 38.000 -0.175 0.000 1.398 519 I HN 0.659 nan 8.210 nan 0.000 0.475 520 G N 3.905 112.831 108.800 0.210 0.000 2.667 520 G HA2 0.499 3.635 3.960 -1.373 0.000 0.250 520 G HA3 0.499 3.635 3.960 -1.373 0.000 0.250 520 G C 0.217 175.129 174.900 0.021 0.000 1.212 520 G CA -0.084 45.081 45.100 0.109 0.000 0.874 520 G HN 0.664 nan 8.290 nan 0.000 0.561 521 G N -2.148 106.629 108.800 -0.038 0.000 3.075 521 G HA2 0.493 3.629 3.960 -1.373 0.000 0.253 521 G HA3 0.493 3.629 3.960 -1.373 0.000 0.253 521 G C 1.086 175.978 174.900 -0.014 0.000 1.353 521 G CA 0.325 45.408 45.100 -0.029 0.000 1.051 521 G HN 1.245 nan 8.290 nan 0.000 0.553 522 V N -1.698 118.208 119.914 -0.014 0.000 3.141 522 V HA 0.288 3.584 4.120 -1.373 0.000 0.265 522 V C 1.269 177.348 176.094 -0.025 0.000 1.126 522 V CA 1.037 63.330 62.300 -0.012 0.000 1.141 522 V CB -1.141 30.677 31.823 -0.009 0.000 0.743 522 V HN 0.734 nan 8.190 nan 0.000 0.492 523 G N 0.404 109.181 108.800 -0.039 0.000 2.557 523 G HA2 0.334 3.470 3.960 -1.373 0.000 0.292 523 G HA3 0.334 3.470 3.960 -1.373 0.000 0.292 523 G C -0.550 174.298 174.900 -0.087 0.000 1.237 523 G CA -0.835 44.232 45.100 -0.055 0.000 0.978 523 G HN 0.367 nan 8.290 nan 0.000 0.498 524 N N 1.506 120.144 118.700 -0.104 0.000 2.415 524 N HA 0.230 4.147 4.740 -1.373 0.000 0.246 524 N C -0.793 174.571 175.510 -0.245 0.000 1.078 524 N CA -0.029 52.932 53.050 -0.148 0.000 0.942 524 N CB 1.060 39.473 38.487 -0.122 0.000 1.140 524 N HN 0.340 nan 8.380 nan 0.000 0.501 525 D N 0.479 120.675 120.400 -0.340 0.000 2.228 525 D HA 0.374 4.190 4.640 -1.373 0.000 0.247 525 D C -0.152 175.676 176.300 -0.786 0.000 0.995 525 D CA -0.415 53.226 54.000 -0.599 0.000 0.903 525 D CB 2.318 42.631 40.800 -0.811 0.000 1.205 525 D HN -0.004 nan 8.370 nan 0.000 0.459 526 V N 1.871 121.142 119.914 -1.072 0.000 2.378 526 V HA 0.304 3.601 4.120 -1.373 0.000 0.288 526 V C -0.596 174.857 176.094 -1.068 0.000 1.016 526 V CA -0.744 60.848 62.300 -1.180 0.000 0.840 526 V CB 0.613 31.245 31.823 -1.985 0.000 0.994 526 V HN 0.341 nan 8.190 nan 0.000 0.431 527 F N 3.809 123.257 119.950 -0.837 0.000 2.405 527 F HA 0.529 4.233 4.527 -1.373 0.000 0.355 527 F C 0.257 175.749 175.800 -0.513 0.000 1.121 527 F CA -0.647 56.986 58.000 -0.612 0.000 1.112 527 F CB 1.642 40.310 39.000 -0.554 0.000 1.126 527 F HN 0.202 nan 8.300 nan 0.000 0.481 528 V N 3.918 123.690 119.914 -0.237 0.000 2.276 528 V HA 0.236 3.533 4.120 -1.373 0.000 0.268 528 V C 0.948 177.061 176.094 0.032 0.000 1.032 528 V CA -0.436 61.797 62.300 -0.113 0.000 0.810 528 V CB 0.697 32.546 31.823 0.043 0.000 1.060 528 V HN 1.038 nan 8.190 nan 0.000 0.446 529 G N 2.521 111.339 108.800 0.030 0.000 2.432 529 G HA2 0.275 3.412 3.960 -1.373 0.000 0.219 529 G HA3 0.275 3.412 3.960 -1.373 0.000 0.219 529 G C 0.976 175.977 174.900 0.168 0.000 1.135 529 G CA 0.998 46.178 45.100 0.132 0.000 0.767 529 G HN 1.379 nan 8.290 nan 0.000 0.550 530 G N -0.559 108.348 108.800 0.177 0.000 2.645 530 G HA2 0.258 3.395 3.960 -1.373 0.000 0.239 530 G HA3 0.258 3.395 3.960 -1.373 0.000 0.239 530 G C 0.462 175.500 174.900 0.230 0.000 1.331 530 G CA 0.187 45.410 45.100 0.206 0.000 0.890 530 G HN 1.494 nan 8.290 nan 0.000 0.572 531 A N -0.447 122.489 122.820 0.193 0.000 2.492 531 A HA 0.774 4.271 4.320 -1.373 0.000 0.236 531 A C 1.846 179.524 177.584 0.157 0.000 1.078 531 A CA 2.238 54.377 52.037 0.171 0.000 0.773 531 A CB -0.289 18.788 19.000 0.128 0.000 1.023 531 A HN 3.017 nan 8.150 nan 0.000 0.504 532 G N 0.514 109.395 108.800 0.136 0.000 2.712 532 G HA2 -0.077 3.059 3.960 -1.373 0.000 0.683 532 G HA3 -0.077 3.059 3.960 -1.373 0.000 0.683 532 G C -0.760 174.227 174.900 0.144 0.000 1.320 532 G CA -0.302 44.870 45.100 0.119 0.000 0.847 532 G HN 1.083 nan 8.290 nan 0.000 0.553 533 N N 2.004 120.776 118.700 0.120 0.000 2.485 533 N HA 0.401 4.317 4.740 -1.373 0.000 0.243 533 N C -0.938 174.653 175.510 0.136 0.000 0.987 533 N CA -0.284 52.842 53.050 0.127 0.000 0.940 533 N CB 1.108 39.647 38.487 0.086 0.000 1.122 533 N HN 0.513 nan 8.380 nan 0.000 0.509 534 D N 1.334 121.839 120.400 0.175 0.000 2.192 534 D HA 0.202 4.019 4.640 -1.373 0.000 0.246 534 D C -0.159 176.240 176.300 0.164 0.000 1.042 534 D CA -0.509 53.597 54.000 0.175 0.000 0.847 534 D CB 2.504 43.425 40.800 0.201 0.000 1.186 534 D HN 0.205 nan 8.370 nan 0.000 0.461 535 L N 2.344 123.663 121.223 0.161 0.000 2.272 535 L HA 0.418 3.935 4.340 -1.373 0.000 0.289 535 L C -1.012 175.968 176.870 0.185 0.000 1.032 535 L CA -0.072 54.858 54.840 0.151 0.000 0.810 535 L CB 0.703 42.844 42.059 0.137 0.000 1.205 535 L HN 0.298 nan 8.230 nan 0.000 0.422 536 M N 4.911 124.577 119.600 0.110 0.000 2.142 536 M HA 0.438 4.094 4.480 -1.373 0.000 0.299 536 M C -0.931 175.336 176.300 -0.055 0.000 0.960 536 M CA -0.347 54.984 55.300 0.052 0.000 0.920 536 M CB 1.914 34.524 32.600 0.017 0.000 1.541 536 M HN 0.521 nan 8.290 nan 0.000 0.429 537 E N 1.085 121.297 120.200 0.021 0.000 2.129 537 E HA 0.237 3.764 4.350 -1.373 0.000 0.268 537 E C 0.398 177.062 176.600 0.108 0.000 0.900 537 E CA -0.338 56.095 56.400 0.055 0.000 0.755 537 E CB 2.057 31.822 29.700 0.108 0.000 1.117 537 E HN 0.699 nan 8.360 nan 0.000 0.410 538 S N 3.419 119.183 115.700 0.107 0.000 2.359 538 S HA -0.177 3.470 4.470 -1.373 0.000 0.223 538 S C 1.723 176.454 174.600 0.218 0.000 1.039 538 S CA 2.062 60.397 58.200 0.226 0.000 1.042 538 S CB -0.480 62.845 63.200 0.207 0.000 0.915 538 S HN 0.999 nan 8.310 nan 0.000 0.439 539 G N -0.201 108.674 108.800 0.124 0.000 2.184 539 G HA2 0.105 3.242 3.960 -1.373 0.000 0.264 539 G HA3 0.105 3.242 3.960 -1.373 0.000 0.264 539 G C 1.343 176.270 174.900 0.045 0.000 0.975 539 G CA 0.527 45.673 45.100 0.077 0.000 0.642 539 G HN 1.921 nan 8.290 nan 0.000 0.536 540 G N -2.112 106.715 108.800 0.044 0.000 2.479 540 G HA2 0.570 3.706 3.960 -1.373 0.000 0.686 540 G HA3 0.570 3.706 3.960 -1.373 0.000 0.686 540 G C 0.900 175.800 174.900 -0.000 0.000 1.295 540 G CA 0.915 46.023 45.100 0.012 0.000 0.922 540 G HN 2.628 nan 8.290 nan 0.000 0.582 541 G N -1.183 107.604 108.800 -0.023 0.000 2.725 541 G HA2 0.466 3.602 3.960 -1.373 0.000 0.220 541 G HA3 0.466 3.602 3.960 -1.373 0.000 0.220 541 G C 0.318 175.185 174.900 -0.055 0.000 1.357 541 G CA 0.877 45.953 45.100 -0.040 0.000 0.866 541 G HN 2.645 nan 8.290 nan 0.000 0.548 542 A N 0.665 123.443 122.820 -0.071 0.000 2.412 542 A HA 0.640 4.137 4.320 -1.373 0.000 0.334 542 A C -0.262 177.258 177.584 -0.107 0.000 1.419 542 A CA -0.151 51.834 52.037 -0.087 0.000 0.930 542 A CB 0.341 19.292 19.000 -0.081 0.000 1.149 542 A HN 0.578 nan 8.150 nan 0.000 0.515 543 D N 1.117 121.462 120.400 -0.091 0.000 2.268 543 D HA 0.593 4.410 4.640 -1.373 0.000 0.249 543 D C -0.255 175.943 176.300 -0.170 0.000 1.008 543 D CA 0.226 54.134 54.000 -0.154 0.000 0.939 543 D CB 1.779 42.531 40.800 -0.080 0.000 1.170 543 D HN 0.342 nan 8.370 nan 0.000 0.468 544 T N 0.977 115.320 114.554 -0.351 0.000 2.824 544 T HA 0.510 4.037 4.350 -1.373 0.000 0.282 544 T C -0.602 173.813 174.700 -0.474 0.000 0.993 544 T CA -0.503 61.429 62.100 -0.280 0.000 0.967 544 T CB 0.460 69.123 68.868 -0.341 0.000 0.960 544 T HN 0.089 nan 8.240 nan 0.000 0.441 545 F N 2.783 122.628 119.950 -0.174 0.000 2.427 545 F HA 0.595 4.298 4.527 -1.373 0.000 0.348 545 F C -0.316 175.042 175.800 -0.738 0.000 1.125 545 F CA -1.100 56.666 58.000 -0.390 0.000 0.989 545 F CB 1.340 40.178 39.000 -0.269 0.000 1.165 545 F HN 0.260 nan 8.300 nan 0.000 0.442 546 L N 4.897 125.665 121.223 -0.758 0.000 2.307 546 L HA 0.678 4.194 4.340 -1.373 0.000 0.284 546 L C -1.613 174.674 176.870 -0.973 0.000 1.023 546 L CA -0.614 53.823 54.840 -0.671 0.000 0.810 546 L CB 0.650 42.517 42.059 -0.319 0.000 1.231 546 L HN 0.370 nan 8.230 nan 0.000 0.423 547 F N 4.867 124.543 119.950 -0.457 0.000 2.507 547 F HA 0.525 4.228 4.527 -1.373 0.000 0.328 547 F C 0.079 175.727 175.800 -0.254 0.000 1.136 547 F CA -0.587 57.066 58.000 -0.579 0.000 0.930 547 F CB 1.568 39.751 39.000 -1.363 0.000 1.166 547 F HN 0.548 nan 8.300 nan 0.000 0.436 548 N N 1.817 120.614 118.700 0.161 0.000 2.264 548 N HA 0.573 4.489 4.740 -1.373 0.000 0.288 548 N C 0.090 175.821 175.510 0.368 0.000 1.094 548 N CA 0.371 53.578 53.050 0.261 0.000 0.817 548 N CB 2.400 41.019 38.487 0.221 0.000 1.604 548 N HN 0.840 nan 8.380 nan 0.000 0.473 549 G N 1.730 110.735 108.800 0.342 0.000 2.552 549 G HA2 -0.206 2.930 3.960 -1.373 0.000 0.265 549 G HA3 -0.206 2.930 3.960 -1.373 0.000 0.265 549 G C -0.146 174.934 174.900 0.300 0.000 1.234 549 G CA 0.053 45.324 45.100 0.285 0.000 0.944 549 G HN 1.026 nan 8.290 nan 0.000 0.568 550 A N 0.165 123.097 122.820 0.186 0.000 2.915 550 A HA 0.603 4.100 4.320 -1.373 0.000 0.292 550 A C 0.852 178.492 177.584 0.094 0.000 1.632 550 A CA 0.772 52.853 52.037 0.073 0.000 1.337 550 A CB -1.035 17.996 19.000 0.051 0.000 1.111 550 A HN 1.728 nan 8.150 nan 0.000 0.569 551 F N 0.685 120.737 119.950 0.169 0.000 2.811 551 F HA 0.465 4.168 4.527 -1.373 0.000 0.301 551 F C 0.952 176.865 175.800 0.188 0.000 1.151 551 F CA 0.011 58.133 58.000 0.204 0.000 1.412 551 F CB -0.529 38.650 39.000 0.298 0.000 1.113 551 F HN 0.758 nan 8.300 nan 0.000 0.579 552 G N 1.126 109.840 108.800 -0.143 0.000 2.568 552 G HA2 -0.127 3.010 3.960 -1.373 0.000 0.222 552 G HA3 -0.127 3.010 3.960 -1.373 0.000 0.222 552 G C -1.132 173.757 174.900 -0.017 0.000 1.321 552 G CA -0.359 44.725 45.100 -0.027 0.000 0.893 552 G HN 0.399 nan 8.290 nan 0.000 0.569 553 Q N 1.467 121.311 119.800 0.073 0.000 2.462 553 Q HA 0.470 3.986 4.340 -1.373 0.000 0.247 553 Q C -1.056 175.033 176.000 0.148 0.000 1.044 553 Q CA -0.495 55.362 55.803 0.090 0.000 0.803 553 Q CB 1.459 30.222 28.738 0.042 0.000 1.190 553 Q HN 0.583 nan 8.270 nan 0.000 0.507 554 D N 1.569 122.101 120.400 0.220 0.000 2.217 554 D HA 0.442 4.258 4.640 -1.373 0.000 0.248 554 D C -0.119 176.253 176.300 0.120 0.000 1.008 554 D CA -0.476 53.657 54.000 0.222 0.000 0.914 554 D CB 1.661 42.689 40.800 0.380 0.000 1.182 554 D HN 0.157 nan 8.370 nan 0.000 0.451 555 R N 0.476 121.029 120.500 0.088 0.000 2.480 555 R HA 0.538 4.055 4.340 -1.373 0.000 0.306 555 R C -1.091 175.197 176.300 -0.021 0.000 0.958 555 R CA -0.804 55.309 56.100 0.020 0.000 0.861 555 R CB 2.000 32.314 30.300 0.022 0.000 1.171 555 R HN 0.120 nan 8.270 nan 0.000 0.445 556 V N 4.413 124.256 119.914 -0.119 0.000 2.384 556 V HA 0.362 3.659 4.120 -1.373 0.000 0.287 556 V C -0.272 175.711 176.094 -0.185 0.000 1.020 556 V CA -0.717 61.425 62.300 -0.262 0.000 0.850 556 V CB 1.859 33.339 31.823 -0.572 0.000 0.987 556 V HN 0.444 nan 8.190 nan 0.000 0.436 557 V N 3.681 123.524 119.914 -0.119 0.000 2.513 557 V HA 0.786 4.082 4.120 -1.373 0.000 0.299 557 V C 0.982 177.071 176.094 -0.008 0.000 1.035 557 V CA 0.484 62.760 62.300 -0.040 0.000 0.889 557 V CB 1.244 33.071 31.823 0.005 0.000 0.988 557 V HN 1.146 nan 8.190 nan 0.000 0.440 558 G N 3.908 112.721 108.800 0.021 0.000 2.136 558 G HA2 -0.272 2.864 3.960 -1.373 0.000 0.242 558 G HA3 -0.272 2.864 3.960 -1.373 0.000 0.242 558 G C -0.087 174.850 174.900 0.061 0.000 0.989 558 G CA 0.081 45.206 45.100 0.042 0.000 0.682 558 G HN 0.758 nan 8.290 nan 0.000 0.522 559 F N 3.048 122.936 119.950 -0.104 0.000 2.543 559 F HA 0.517 4.221 4.527 -1.373 0.000 0.375 559 F C 1.107 176.874 175.800 -0.054 0.000 1.075 559 F CA 0.960 58.894 58.000 -0.109 0.000 1.225 559 F CB 0.768 39.633 39.000 -0.225 0.000 1.099 559 F HN 0.367 nan 8.300 nan 0.000 0.561 560 T N 0.898 115.134 114.554 -0.531 0.000 2.888 560 T HA 0.298 3.824 4.350 -1.373 0.000 0.288 560 T C 0.858 175.225 174.700 -0.555 0.000 1.063 560 T CA -0.401 61.482 62.100 -0.362 0.000 1.010 560 T CB 1.406 70.159 68.868 -0.191 0.000 1.214 560 T HN 0.412 nan 8.240 nan 0.000 0.533 561 S N 1.447 116.986 115.700 -0.269 0.000 2.419 561 S HA -0.110 3.536 4.470 -1.373 0.000 0.235 561 S C 1.820 176.292 174.600 -0.213 0.000 1.019 561 S CA 1.411 59.492 58.200 -0.198 0.000 0.982 561 S CB -0.592 62.555 63.200 -0.089 0.000 0.789 561 S HN 0.897 nan 8.310 nan 0.000 0.490 562 N N 1.231 119.799 118.700 -0.220 0.000 2.398 562 N HA 0.011 3.927 4.740 -1.373 0.000 0.188 562 N C -0.611 174.784 175.510 -0.192 0.000 1.122 562 N CA 0.151 53.104 53.050 -0.161 0.000 0.866 562 N CB -0.145 38.275 38.487 -0.112 0.000 0.970 562 N HN 0.195 nan 8.380 nan 0.000 0.462 563 D N 0.550 120.734 120.400 -0.360 0.000 2.387 563 D HA 0.278 4.095 4.640 -1.373 0.000 0.255 563 D C -0.551 175.678 176.300 -0.119 0.000 1.081 563 D CA -0.115 53.704 54.000 -0.302 0.000 0.994 563 D CB 1.696 42.209 40.800 -0.479 0.000 1.127 563 D HN 0.094 nan 8.370 nan 0.000 0.513 564 K N 0.537 121.046 120.400 0.181 0.000 2.468 564 K HA 0.451 3.948 4.320 -1.373 0.000 0.252 564 K C -1.390 175.430 176.600 0.366 0.000 0.932 564 K CA -0.597 55.843 56.287 0.254 0.000 0.794 564 K CB 1.310 33.863 32.500 0.089 0.000 1.241 564 K HN 0.288 nan 8.250 nan 0.000 0.428 565 L N 3.744 125.123 121.223 0.261 0.000 2.309 565 L HA 0.562 4.078 4.340 -1.373 0.000 0.282 565 L C -0.741 176.064 176.870 -0.109 0.000 1.036 565 L CA -1.252 53.635 54.840 0.079 0.000 0.806 565 L CB 1.784 43.839 42.059 -0.007 0.000 1.220 565 L HN 0.292 nan 8.230 nan 0.000 0.429 566 V N 3.296 123.042 119.914 -0.280 0.000 2.443 566 V HA 0.380 3.677 4.120 -1.373 0.000 0.293 566 V C -0.715 175.105 176.094 -0.456 0.000 1.021 566 V CA -0.381 61.714 62.300 -0.341 0.000 0.848 566 V CB 1.452 33.095 31.823 -0.300 0.000 0.998 566 V HN 0.385 nan 8.190 nan 0.000 0.424 567 F N 5.948 125.793 119.950 -0.175 0.000 2.361 567 F HA 0.707 4.411 4.527 -1.373 0.000 0.364 567 F C -0.247 175.464 175.800 -0.149 0.000 1.120 567 F CA -0.617 57.219 58.000 -0.272 0.000 1.102 567 F CB 1.583 40.193 39.000 -0.649 0.000 1.183 567 F HN 0.317 nan 8.300 nan 0.000 0.476 568 L N 3.141 124.417 121.223 0.087 0.000 2.441 568 L HA 0.714 4.230 4.340 -1.373 0.000 0.270 568 L C 0.167 177.204 176.870 0.278 0.000 0.973 568 L CA -0.355 54.586 54.840 0.167 0.000 0.842 568 L CB 1.669 43.794 42.059 0.109 0.000 1.239 568 L HN 0.713 nan 8.230 nan 0.000 0.406 569 G N 3.712 112.763 108.800 0.418 0.000 2.298 569 G HA2 -0.060 3.077 3.960 -1.373 0.000 0.287 569 G HA3 -0.060 3.077 3.960 -1.373 0.000 0.287 569 G C -0.215 174.833 174.900 0.247 0.000 1.075 569 G CA 0.413 45.712 45.100 0.332 0.000 0.960 569 G HN 1.356 nan 8.290 nan 0.000 0.502 570 V N -4.049 115.992 119.914 0.213 0.000 3.103 570 V HA 0.884 4.181 4.120 -1.373 0.000 0.318 570 V C 0.317 176.534 176.094 0.206 0.000 1.114 570 V CA -1.482 60.965 62.300 0.244 0.000 1.020 570 V CB 1.931 33.896 31.823 0.237 0.000 1.085 570 V HN 0.273 nan 8.190 nan 0.000 0.446 571 Q N 0.749 120.688 119.800 0.232 0.000 2.306 571 Q HA 0.462 3.979 4.340 -1.373 0.000 0.241 571 Q C 1.130 177.280 176.000 0.250 0.000 0.948 571 Q CA 0.754 56.669 55.803 0.187 0.000 0.886 571 Q CB 0.957 29.776 28.738 0.135 0.000 1.227 571 Q HN 1.809 nan 8.270 nan 0.000 0.457 572 G N 0.647 109.555 108.800 0.180 0.000 2.143 572 G HA2 -0.232 2.904 3.960 -1.373 0.000 0.248 572 G HA3 -0.232 2.904 3.960 -1.373 0.000 0.248 572 G C -0.117 174.961 174.900 0.296 0.000 0.991 572 G CA 0.148 45.365 45.100 0.195 0.000 0.689 572 G HN 0.382 nan 8.290 nan 0.000 0.522 573 V N 2.053 122.123 119.914 0.260 0.000 2.353 573 V HA 0.462 3.759 4.120 -1.373 0.000 0.264 573 V C 1.071 177.277 176.094 0.185 0.000 1.049 573 V CA -0.478 61.988 62.300 0.277 0.000 0.896 573 V CB 1.096 33.059 31.823 0.234 0.000 1.025 573 V HN 0.344 nan 8.190 nan 0.000 0.475 574 L N 6.967 128.287 121.223 0.162 0.000 2.436 574 L HA 0.359 3.875 4.340 -1.373 0.000 0.265 574 L C -2.046 174.892 176.870 0.113 0.000 1.168 574 L CA -1.790 53.109 54.840 0.098 0.000 0.815 574 L CB 0.779 42.867 42.059 0.048 0.000 1.109 574 L HN 0.371 nan 8.230 nan 0.000 0.462 575 P HA -0.051 nan 4.420 nan 0.000 0.260 575 P C -0.057 177.300 177.300 0.096 0.000 1.172 575 P CA 0.646 63.810 63.100 0.107 0.000 0.760 575 P CB 0.230 31.987 31.700 0.096 0.000 0.773 576 N N 0.594 119.357 118.700 0.105 0.000 2.828 576 N HA -0.174 3.743 4.740 -1.373 0.000 0.248 576 N C -0.564 175.001 175.510 0.093 0.000 1.044 576 N CA 0.889 53.995 53.050 0.093 0.000 0.851 576 N CB -1.594 36.939 38.487 0.076 0.000 1.136 576 N HN 0.435 nan 8.380 nan 0.000 0.572 577 D N 1.045 121.515 120.400 0.117 0.000 2.525 577 D HA 0.067 3.883 4.640 -1.373 0.000 0.235 577 D C 0.645 177.032 176.300 0.146 0.000 1.137 577 D CA 0.565 54.644 54.000 0.132 0.000 0.868 577 D CB 0.438 41.395 40.800 0.262 0.000 1.180 577 D HN 0.426 nan 8.370 nan 0.000 0.465 578 D N 0.014 120.474 120.400 0.100 0.000 2.569 578 D HA 0.115 3.932 4.640 -1.373 0.000 0.266 578 D C 1.057 177.442 176.300 0.140 0.000 1.164 578 D CA -0.754 53.324 54.000 0.129 0.000 1.071 578 D CB -0.126 40.719 40.800 0.075 0.000 1.183 578 D HN 0.303 nan 8.370 nan 0.000 0.613 579 F N -0.334 119.675 119.950 0.098 0.000 2.269 579 F HA 0.110 3.813 4.527 -1.373 0.000 0.301 579 F C 1.951 177.766 175.800 0.026 0.000 1.082 579 F CA 0.625 58.670 58.000 0.076 0.000 1.360 579 F CB -0.430 38.605 39.000 0.059 0.000 1.041 579 F HN 0.089 nan 8.300 nan 0.000 0.512 580 R N 0.921 120.904 120.500 -0.862 0.000 2.148 580 R HA 0.032 3.549 4.340 -1.373 0.000 0.227 580 R C 2.431 178.529 176.300 -0.338 0.000 1.103 580 R CA 0.926 56.620 56.100 -0.678 0.000 0.983 580 R CB -0.653 29.238 30.300 -0.681 0.000 0.874 580 R HN 0.460 nan 8.270 nan 0.000 0.451 581 A N 0.091 122.744 122.820 -0.279 0.000 2.121 581 A HA -0.135 3.362 4.320 -1.373 0.000 0.218 581 A C 0.862 178.111 177.584 -0.559 0.000 1.154 581 A CA 1.251 53.076 52.037 -0.353 0.000 0.679 581 A CB -0.272 18.530 19.000 -0.330 0.000 0.795 581 A HN 0.368 nan 8.150 nan 0.000 0.458 582 H N -1.962 116.929 119.070 -0.299 0.000 3.058 582 H HA 0.566 4.299 4.556 -1.373 0.000 0.266 582 H C 0.470 175.602 175.328 -0.327 0.000 1.135 582 H CA 0.339 56.122 56.048 -0.442 0.000 1.174 582 H CB 0.599 29.863 29.762 -0.830 0.000 1.581 582 H HN 0.457 nan 8.280 nan 0.000 0.553 583 A N 0.865 123.610 122.820 -0.125 0.000 2.325 583 A HA 0.738 4.235 4.320 -1.373 0.000 0.333 583 A C -0.167 177.374 177.584 -0.072 0.000 1.155 583 A CA -0.205 51.801 52.037 -0.053 0.000 0.814 583 A CB 0.920 19.959 19.000 0.066 0.000 1.206 583 A HN 0.280 nan 8.150 nan 0.000 0.482 584 S N 1.281 116.952 115.700 -0.049 0.000 2.625 584 S HA 0.765 4.412 4.470 -1.373 0.000 0.271 584 S C -0.926 173.657 174.600 -0.028 0.000 1.161 584 S CA -0.860 57.312 58.200 -0.046 0.000 0.820 584 S CB 1.134 64.298 63.200 -0.061 0.000 1.137 584 S HN 0.532 nan 8.310 nan 0.000 0.470 585 M N 1.999 121.584 119.600 -0.025 0.000 2.238 585 M HA 0.525 4.181 4.480 -1.373 0.000 0.350 585 M C -1.173 175.114 176.300 -0.023 0.000 1.138 585 M CA -0.718 54.571 55.300 -0.019 0.000 1.040 585 M CB 1.284 33.877 32.600 -0.012 0.000 1.639 585 M HN 0.625 nan 8.290 nan 0.000 0.451 586 V N 2.877 122.779 119.914 -0.021 0.000 2.380 586 V HA 0.615 3.911 4.120 -1.373 0.000 0.286 586 V C 0.867 176.952 176.094 -0.016 0.000 1.015 586 V CA 0.085 62.373 62.300 -0.020 0.000 0.834 586 V CB 0.740 32.550 31.823 -0.022 0.000 1.009 586 V HN 1.150 nan 8.190 nan 0.000 0.428 587 G N 4.805 113.597 108.800 -0.014 0.000 2.629 587 G HA2 -0.298 2.839 3.960 -1.373 0.000 0.313 587 G HA3 -0.298 2.839 3.960 -1.373 0.000 0.313 587 G C 0.610 175.505 174.900 -0.009 0.000 1.217 587 G CA 0.668 45.762 45.100 -0.011 0.000 0.994 587 G HN 0.564 nan 8.290 nan 0.000 0.549 588 Q N 1.981 121.776 119.800 -0.008 0.000 2.320 588 Q HA 0.192 3.708 4.340 -1.373 0.000 0.201 588 Q C -0.155 175.839 176.000 -0.009 0.000 0.910 588 Q CA 0.668 56.467 55.803 -0.006 0.000 0.946 588 Q CB 0.389 29.125 28.738 -0.004 0.000 1.062 588 Q HN 0.629 nan 8.270 nan 0.000 0.503 589 D N 0.363 120.754 120.400 -0.014 0.000 2.350 589 D HA 0.229 4.046 4.640 -1.373 0.000 0.245 589 D C -0.361 175.923 176.300 -0.026 0.000 1.036 589 D CA -0.264 53.722 54.000 -0.023 0.000 0.848 589 D CB 1.687 42.471 40.800 -0.027 0.000 1.307 589 D HN -0.255 nan 8.370 nan 0.000 0.469 590 T N 0.812 115.344 114.554 -0.036 0.000 2.817 590 T HA 0.364 3.890 4.350 -1.373 0.000 0.293 590 T C 0.151 174.821 174.700 -0.049 0.000 0.964 590 T CA -0.404 61.675 62.100 -0.035 0.000 1.085 590 T CB 0.863 69.709 68.868 -0.038 0.000 0.921 590 T HN 0.013 nan 8.240 nan 0.000 0.502 591 V N 5.363 125.254 119.914 -0.038 0.000 2.448 591 V HA 0.465 3.761 4.120 -1.373 0.000 0.295 591 V C -0.273 175.792 176.094 -0.049 0.000 1.025 591 V CA -0.861 61.414 62.300 -0.041 0.000 0.859 591 V CB 1.466 33.267 31.823 -0.037 0.000 0.988 591 V HN 0.708 nan 8.190 nan 0.000 0.431 592 L N 5.248 126.445 121.223 -0.044 0.000 2.305 592 L HA 0.606 4.123 4.340 -1.373 0.000 0.284 592 L C -0.130 176.667 176.870 -0.120 0.000 1.013 592 L CA -0.527 54.254 54.840 -0.098 0.000 0.819 592 L CB 1.472 43.512 42.059 -0.032 0.000 1.227 592 L HN 0.524 nan 8.230 nan 0.000 0.417 593 K N 3.599 123.812 120.400 -0.313 0.000 2.221 593 K HA 0.634 4.131 4.320 -1.373 0.000 0.258 593 K C -1.425 174.861 176.600 -0.524 0.000 0.944 593 K CA -0.454 55.693 56.287 -0.233 0.000 0.823 593 K CB 2.057 34.467 32.500 -0.151 0.000 1.113 593 K HN 0.263 nan 8.250 nan 0.000 0.431 594 F N 1.451 121.398 119.950 -0.005 0.000 2.716 594 F HA 0.256 3.959 4.527 -1.373 0.000 0.354 594 F C 0.958 176.751 175.800 -0.012 0.000 1.168 594 F CA -0.322 57.681 58.000 0.005 0.000 1.045 594 F CB 1.496 40.505 39.000 0.015 0.000 1.311 594 F HN 0.898 nan 8.300 nan 0.000 0.477 595 G N 2.231 111.097 108.800 0.109 0.000 2.622 595 G HA2 -0.306 2.830 3.960 -1.373 0.000 0.307 595 G HA3 -0.306 2.830 3.960 -1.373 0.000 0.307 595 G C 1.301 176.198 174.900 -0.004 0.000 1.226 595 G CA 0.241 45.369 45.100 0.046 0.000 0.997 595 G HN 1.135 nan 8.290 nan 0.000 0.551 596 G N 0.249 109.032 108.800 -0.028 0.000 2.985 596 G HA2 0.383 3.519 3.960 -1.373 0.000 0.209 596 G HA3 0.383 3.519 3.960 -1.373 0.000 0.209 596 G C 0.247 175.079 174.900 -0.113 0.000 1.165 596 G CA 1.079 46.146 45.100 -0.056 0.000 0.776 596 G HN 0.668 nan 8.290 nan 0.000 0.541 597 D N 0.342 120.628 120.400 -0.190 0.000 2.268 597 D HA 0.522 4.339 4.640 -1.373 0.000 0.249 597 D C -0.065 176.128 176.300 -0.178 0.000 1.008 597 D CA 0.062 53.803 54.000 -0.432 0.000 0.939 597 D CB 1.920 41.999 40.800 -1.201 0.000 1.170 597 D HN 0.225 nan 8.370 nan 0.000 0.468 598 S N -0.863 114.807 115.700 -0.050 0.000 2.550 598 S HA 0.600 4.246 4.470 -1.373 0.000 0.270 598 S C -1.179 173.603 174.600 0.303 0.000 1.145 598 S CA -0.824 57.481 58.200 0.176 0.000 0.852 598 S CB 1.513 64.745 63.200 0.053 0.000 1.119 598 S HN 0.153 nan 8.310 nan 0.000 0.465 599 V N 1.799 121.829 119.914 0.195 0.000 2.487 599 V HA 0.574 3.871 4.120 -1.373 0.000 0.298 599 V C -0.313 175.768 176.094 -0.022 0.000 1.028 599 V CA -0.454 61.863 62.300 0.028 0.000 0.860 599 V CB 1.786 33.480 31.823 -0.216 0.000 0.991 599 V HN 1.027 nan 8.190 nan 0.000 0.427 600 T N 6.501 121.036 114.554 -0.032 0.000 2.743 600 T HA 0.519 4.046 4.350 -1.373 0.000 0.292 600 T C -0.082 174.552 174.700 -0.110 0.000 0.972 600 T CA -0.216 61.851 62.100 -0.055 0.000 0.967 600 T CB 0.487 69.340 68.868 -0.026 0.000 0.926 600 T HN 0.383 nan 8.240 nan 0.000 0.459 601 L N 4.268 125.404 121.223 -0.145 0.000 2.302 601 L HA 0.317 3.833 4.340 -1.373 0.000 0.285 601 L C 0.174 176.984 176.870 -0.100 0.000 1.090 601 L CA -0.815 53.910 54.840 -0.192 0.000 0.866 601 L CB 0.373 42.260 42.059 -0.287 0.000 1.244 601 L HN 0.359 nan 8.230 nan 0.000 0.435 602 V N 3.265 123.133 119.914 -0.077 0.000 2.529 602 V HA 0.123 3.420 4.120 -1.373 0.000 0.292 602 V C 1.359 177.441 176.094 -0.020 0.000 1.028 602 V CA 0.794 63.071 62.300 -0.039 0.000 1.074 602 V CB 0.646 32.452 31.823 -0.028 0.000 0.958 602 V HN 1.070 nan 8.190 nan 0.000 0.481 603 G N 3.914 112.707 108.800 -0.013 0.000 2.249 603 G HA2 -0.188 2.949 3.960 -1.373 0.000 0.273 603 G HA3 -0.188 2.949 3.960 -1.373 0.000 0.273 603 G C -0.141 174.763 174.900 0.007 0.000 1.036 603 G CA 0.236 45.336 45.100 -0.001 0.000 0.824 603 G HN 0.800 nan 8.290 nan 0.000 0.504 604 V N 0.224 120.138 119.914 0.001 0.000 2.448 604 V HA 0.779 4.076 4.120 -1.373 0.000 0.295 604 V C 0.676 176.775 176.094 0.008 0.000 1.025 604 V CA -0.515 61.794 62.300 0.015 0.000 0.859 604 V CB 1.630 33.463 31.823 0.016 0.000 0.988 604 V HN 1.063 nan 8.190 nan 0.000 0.431 605 A N 3.838 126.670 122.820 0.020 0.000 2.401 605 A HA 0.487 3.984 4.320 -1.373 0.000 0.259 605 A C 0.929 178.535 177.584 0.036 0.000 1.103 605 A CA -0.299 51.751 52.037 0.023 0.000 0.789 605 A CB 0.458 19.472 19.000 0.023 0.000 1.035 605 A HN 0.919 nan 8.150 nan 0.000 0.491 606 L N 2.457 123.707 121.223 0.044 0.000 2.079 606 L HA -0.167 3.350 4.340 -1.373 0.000 0.210 606 L C 1.505 178.448 176.870 0.121 0.000 1.081 606 L CA 2.104 56.996 54.840 0.088 0.000 0.752 606 L CB -0.722 41.387 42.059 0.083 0.000 0.896 606 L HN 0.751 nan 8.230 nan 0.000 0.433 607 N N -0.567 118.183 118.700 0.082 0.000 2.520 607 N HA -0.104 3.812 4.740 -1.373 0.000 0.185 607 N C 1.863 177.421 175.510 0.080 0.000 1.068 607 N CA 1.087 54.187 53.050 0.083 0.000 0.911 607 N CB -0.301 38.217 38.487 0.051 0.000 0.961 607 N HN 0.644 nan 8.380 nan 0.000 0.446 608 S N -0.682 115.058 115.700 0.067 0.000 2.558 608 S HA 0.127 3.774 4.470 -1.373 0.000 0.217 608 S C 0.712 175.342 174.600 0.051 0.000 0.975 608 S CA -0.234 57.999 58.200 0.054 0.000 0.912 608 S CB -0.059 63.169 63.200 0.046 0.000 0.776 608 S HN 0.089 nan 8.310 nan 0.000 0.526 609 L N 1.908 123.160 121.223 0.047 0.000 2.375 609 L HA 0.557 4.073 4.340 -1.373 0.000 0.271 609 L C 0.344 177.172 176.870 -0.070 0.000 1.107 609 L CA -0.522 54.277 54.840 -0.069 0.000 0.806 609 L CB 1.545 43.439 42.059 -0.276 0.000 1.146 609 L HN 0.185 nan 8.230 nan 0.000 0.447 610 S N 0.627 116.237 115.700 -0.149 0.000 2.513 610 S HA 0.567 4.214 4.470 -1.373 0.000 0.299 610 S C 0.713 175.234 174.600 -0.131 0.000 1.087 610 S CA -0.084 58.094 58.200 -0.037 0.000 1.012 610 S CB 1.890 65.101 63.200 0.019 0.000 1.044 610 S HN 0.685 nan 8.310 nan 0.000 0.485 611 A N 2.963 125.868 122.820 0.141 0.000 1.978 611 A HA -0.065 3.431 4.320 -1.373 0.000 0.220 611 A C 1.566 179.208 177.584 0.097 0.000 1.170 611 A CA 1.843 54.012 52.037 0.219 0.000 0.636 611 A CB -0.728 18.477 19.000 0.342 0.000 0.810 611 A HN 0.899 nan 8.150 nan 0.000 0.448 612 D N -0.343 120.099 120.400 0.071 0.000 2.263 612 D HA -0.093 3.723 4.640 -1.373 0.000 0.208 612 D C 1.771 178.097 176.300 0.043 0.000 0.971 612 D CA 1.420 55.455 54.000 0.058 0.000 0.867 612 D CB -0.344 40.485 40.800 0.049 0.000 0.929 612 D HN 0.504 nan 8.370 nan 0.000 0.492 613 G N -0.237 108.579 108.800 0.025 0.000 3.042 613 G HA2 0.208 3.344 3.960 -1.373 0.000 0.212 613 G HA3 0.208 3.344 3.960 -1.373 0.000 0.212 613 G C 0.672 175.628 174.900 0.093 0.000 1.166 613 G CA -0.162 44.983 45.100 0.074 0.000 0.767 613 G HN 0.180 nan 8.290 nan 0.000 0.546 614 I N 1.541 122.122 120.570 0.019 0.000 2.521 614 I HA 0.231 3.577 4.170 -1.373 0.000 0.277 614 I C -0.834 175.346 176.117 0.106 0.000 1.054 614 I CA -0.728 60.607 61.300 0.058 0.000 1.117 614 I CB 2.359 40.336 38.000 -0.039 0.000 1.217 614 I HN -0.328 nan 8.210 nan 0.000 0.469 615 V N 6.587 126.522 119.914 0.035 0.000 2.432 615 V HA 0.307 3.604 4.120 -1.373 0.000 0.271 615 V C 0.295 176.426 176.094 0.062 0.000 1.046 615 V CA -0.219 62.043 62.300 -0.063 0.000 0.945 615 V CB 1.297 32.851 31.823 -0.449 0.000 0.992 615 V HN 0.401 nan 8.190 nan 0.000 0.471 616 I N 5.202 125.832 120.570 0.101 0.000 2.371 616 I HA 0.603 3.950 4.170 -1.373 0.000 0.282 616 I C 0.486 176.663 176.117 0.099 0.000 1.031 616 I CA -0.098 61.280 61.300 0.131 0.000 1.180 616 I CB 0.819 38.925 38.000 0.177 0.000 1.336 616 I HN 0.662 nan 8.210 nan 0.000 0.467 617 A N 0.000 122.873 122.820 0.088 0.000 2.254 617 A HA 0.000 3.497 4.320 -1.373 0.000 0.244 617 A CA 0.000 52.108 52.037 0.118 0.000 0.836 617 A CB 0.000 19.033 19.000 0.055 0.000 0.831 617 A HN 0.000 nan 8.150 nan 0.000 0.486