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 2wqz_1_A DATA FIRST_RESID 36 DATA SEQUENCE DDDKLAAAQY PVVNTNYGKI RGLRTPLPNE ILGPVEQYLG VPYASPPTGE DATA SEQUENCE RRFQPPEPPS SWTGIRNTTQ FAAVcPQHLD ERSLLHDMLP IWFTANLDTL DATA SEQUENCE MTYVQDQNED cLYLNIYVPT EDDIHXXXSK KPVMVYIHGG SYMEGTGNMI DATA SEQUENCE DGSILASYGN VIVITINYRL GILGFLSTGD QAAKGNYGLL DQIQALRWIE DATA SEQUENCE ENVGAFGGDP KRVTIFGSGA GASCVSLLTL SHYSEGLFQK AIIQSGTALS DATA SEQUENCE SWAVNYQPAK YTRILADKVG cNMLDTTDMV EcLRNKNYKE LIQQTITPAT DATA SEQUENCE YHIAFGPVID GDVIPDDPQI LMEQGEFLNY DIMLGVNQGE GLKFVDGIVD DATA SEQUENCE NEDGVTPNDF DFSVSNFVDN LYGYPEGKDT LRETIKFMYT DWADKENPET DATA SEQUENCE RRKTLVALFT DHQWVAPAVA TADLHAQYGS PTYFYAFYHH cQSEMKPSWA DATA SEQUENCE DSAHGDEVPY VFGIPMIGPT ELFScNFSKN DVMLSAVVMT YWTNFAKTGD DATA SEQUENCE PNQPXXXXXX XXXXXXXXXE EVAWSRYNPK DQLYLHIGLK PRVRDHYRAT DATA SEQUENCE KVAFWLELVP HLH 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 36 D HA 0.000 nan 4.640 nan 0.000 0.175 36 D C 0.000 176.307 176.300 0.012 0.000 2.045 36 D CA 0.000 54.008 54.000 0.013 0.000 0.868 36 D CB 0.000 40.806 40.800 0.010 0.000 0.688 37 D N -0.844 119.564 120.400 0.015 0.000 2.757 37 D HA -0.031 4.612 4.640 0.005 0.000 0.142 37 D C -0.221 176.087 176.300 0.014 0.000 1.491 37 D CA 0.021 54.030 54.000 0.014 0.000 1.531 37 D CB 0.316 41.126 40.800 0.017 0.000 1.709 37 D HN -0.018 nan 8.370 nan 0.000 0.246 38 D N 2.009 122.421 120.400 0.019 0.000 2.597 38 D HA -0.001 4.642 4.640 0.005 0.000 0.228 38 D C 1.332 177.638 176.300 0.011 0.000 1.120 38 D CA 0.091 54.102 54.000 0.018 0.000 1.083 38 D CB 0.225 41.042 40.800 0.029 0.000 1.116 38 D HN 0.036 nan 8.370 nan 0.000 0.487 39 K N 1.089 121.491 120.400 0.004 0.000 2.030 39 K HA -0.241 4.082 4.320 0.005 0.000 0.222 39 K C 1.698 178.288 176.600 -0.016 0.000 1.056 39 K CA 1.156 57.441 56.287 -0.003 0.000 0.957 39 K CB -0.408 32.090 32.500 -0.004 0.000 0.727 39 K HN 0.354 nan 8.250 nan 0.000 0.452 40 L N 0.326 121.537 121.223 -0.020 0.000 1.938 40 L HA -0.101 4.242 4.340 0.005 0.000 0.212 40 L C 2.321 179.153 176.870 -0.063 0.000 1.085 40 L CA 2.275 57.089 54.840 -0.042 0.000 0.760 40 L CB -1.025 41.014 42.059 -0.034 0.000 0.888 40 L HN 0.253 nan 8.230 nan 0.000 0.433 41 A N -0.742 122.058 122.820 -0.033 0.000 2.032 41 A HA -0.159 4.164 4.320 0.005 0.000 0.221 41 A C 2.191 179.781 177.584 0.010 0.000 1.165 41 A CA 1.956 53.986 52.037 -0.012 0.000 0.645 41 A CB -1.130 17.902 19.000 0.054 0.000 0.807 41 A HN 0.624 nan 8.150 nan 0.000 0.453 42 A N -1.509 121.319 122.820 0.013 0.000 2.195 42 A HA 0.559 4.882 4.320 0.005 0.000 0.210 42 A C 1.959 179.546 177.584 0.005 0.000 1.165 42 A CA 1.071 53.131 52.037 0.039 0.000 0.806 42 A CB -0.297 18.729 19.000 0.044 0.000 0.847 42 A HN 0.940 nan 8.150 nan 0.000 0.482 43 A N -1.398 121.394 122.820 -0.046 0.000 2.267 43 A HA 0.144 4.467 4.320 0.005 0.000 0.213 43 A C 1.869 179.363 177.584 -0.151 0.000 1.192 43 A CA 0.273 52.273 52.037 -0.061 0.000 0.851 43 A CB -0.124 18.850 19.000 -0.044 0.000 0.881 43 A HN 0.394 nan 8.150 nan 0.000 0.494 44 Q N -0.686 118.935 119.800 -0.299 0.000 2.049 44 Q HA -0.065 4.278 4.340 0.005 0.000 0.198 44 Q C -0.586 174.967 176.000 -0.744 0.000 0.971 44 Q CA 1.145 56.575 55.803 -0.623 0.000 0.833 44 Q CB -0.054 28.092 28.738 -0.986 0.000 0.896 44 Q HN 0.806 nan 8.270 nan 0.000 0.434 45 Y N -0.337 119.943 120.300 -0.032 0.000 2.327 45 Y HA 0.412 4.966 4.550 0.005 0.000 0.325 45 Y C -2.285 173.596 175.900 -0.032 0.000 0.999 45 Y CA -3.140 54.923 58.100 -0.062 0.000 1.195 45 Y CB 1.005 39.425 38.460 -0.067 0.000 1.132 45 Y HN 0.020 nan 8.280 nan 0.000 0.455 46 P HA 0.233 nan 4.420 nan 0.000 0.288 46 P C -0.685 176.715 177.300 0.167 0.000 1.291 46 P CA -0.500 62.673 63.100 0.121 0.000 0.766 46 P CB 0.902 32.708 31.700 0.177 0.000 1.242 47 V N -1.236 118.771 119.914 0.155 0.000 2.538 47 V HA 0.191 4.314 4.120 0.005 0.000 0.265 47 V C -0.376 175.766 176.094 0.080 0.000 0.977 47 V CA -0.625 61.758 62.300 0.139 0.000 0.852 47 V CB 1.235 33.120 31.823 0.104 0.000 1.058 47 V HN 0.141 nan 8.190 nan 0.000 0.462 48 V N 3.114 123.058 119.914 0.050 0.000 2.385 48 V HA 0.275 4.399 4.120 0.005 0.000 0.269 48 V C 0.596 176.596 176.094 -0.156 0.000 1.043 48 V CA -0.333 61.847 62.300 -0.200 0.000 0.906 48 V CB 1.267 32.661 31.823 -0.714 0.000 0.995 48 V HN 0.874 nan 8.190 nan 0.000 0.467 49 N N 3.601 122.226 118.700 -0.126 0.000 2.416 49 N HA 0.174 4.917 4.740 0.005 0.000 0.271 49 N C 0.508 175.963 175.510 -0.091 0.000 1.245 49 N CA -0.032 52.978 53.050 -0.067 0.000 0.940 49 N CB 0.565 39.014 38.487 -0.063 0.000 1.175 49 N HN 0.879 nan 8.380 nan 0.000 0.483 50 T N -0.359 114.204 114.554 0.013 0.000 2.824 50 T HA 0.170 4.523 4.350 0.005 0.000 0.277 50 T C 0.942 175.635 174.700 -0.012 0.000 0.975 50 T CA -0.636 61.511 62.100 0.078 0.000 0.966 50 T CB 0.747 69.831 68.868 0.361 0.000 1.054 50 T HN 0.391 nan 8.240 nan 0.000 0.533 51 N N -0.949 117.751 118.700 0.000 0.000 2.457 51 N HA 0.037 4.780 4.740 0.005 0.000 0.180 51 N C 0.368 175.640 175.510 -0.397 0.000 1.050 51 N CA 0.490 53.427 53.050 -0.188 0.000 0.906 51 N CB -0.194 38.145 38.487 -0.247 0.000 0.968 51 N HN 0.586 nan 8.380 nan 0.000 0.445 52 Y N -0.101 120.071 120.300 -0.213 0.000 2.555 52 Y HA 0.387 4.940 4.550 0.005 0.000 0.259 52 Y C 1.269 176.441 175.900 -1.214 0.000 1.179 52 Y CA -0.388 57.454 58.100 -0.429 0.000 1.230 52 Y CB 0.755 39.166 38.460 -0.081 0.000 1.146 52 Y HN -0.003 nan 8.280 nan 0.000 0.526 53 G N 0.029 108.398 108.800 -0.717 0.000 2.302 53 G HA2 -0.021 3.942 3.960 0.005 0.000 0.276 53 G HA3 -0.021 3.942 3.960 0.005 0.000 0.276 53 G C -1.532 173.342 174.900 -0.044 0.000 1.316 53 G CA -1.228 43.368 45.100 -0.840 0.000 0.988 53 G HN -0.083 nan 8.290 nan 0.000 0.479 54 K N 0.495 121.091 120.400 0.327 0.000 2.185 54 K HA 0.606 4.929 4.320 0.005 0.000 0.269 54 K C 0.120 177.074 176.600 0.590 0.000 0.987 54 K CA -0.554 55.958 56.287 0.375 0.000 0.865 54 K CB 1.556 34.201 32.500 0.241 0.000 1.090 54 K HN 0.634 nan 8.250 nan 0.000 0.450 55 I N 0.055 120.867 120.570 0.404 0.000 2.441 55 I HA 0.503 4.676 4.170 0.005 0.000 0.295 55 I C -0.501 175.780 176.117 0.273 0.000 0.994 55 I CA -1.014 60.489 61.300 0.339 0.000 1.144 55 I CB 1.714 39.956 38.000 0.404 0.000 1.314 55 I HN 0.503 nan 8.210 nan 0.000 0.445 56 R N 4.779 125.394 120.500 0.192 0.000 2.265 56 R HA 0.670 5.013 4.340 0.005 0.000 0.328 56 R C -0.101 176.260 176.300 0.102 0.000 0.969 56 R CA -0.308 55.883 56.100 0.153 0.000 0.832 56 R CB 1.375 31.722 30.300 0.078 0.000 1.139 56 R HN 1.004 nan 8.270 nan 0.000 0.457 57 G N 2.795 111.619 108.800 0.039 0.000 2.882 57 G HA2 0.448 4.411 3.960 0.005 0.000 0.164 57 G HA3 0.448 4.411 3.960 0.005 0.000 0.164 57 G C -1.240 173.527 174.900 -0.222 0.000 1.429 57 G CA -0.505 44.403 45.100 -0.320 0.000 1.059 57 G HN 0.478 nan 8.290 nan 0.000 0.581 58 L N -0.639 120.379 121.223 -0.342 0.000 2.639 58 L HA 0.536 4.879 4.340 0.005 0.000 0.264 58 L C -0.383 176.411 176.870 -0.127 0.000 0.948 58 L CA -0.666 54.118 54.840 -0.092 0.000 0.912 58 L CB 1.874 43.878 42.059 -0.091 0.000 1.294 58 L HN 0.572 nan 8.230 nan 0.000 0.412 59 R N 2.794 123.265 120.500 -0.048 0.000 2.357 59 R HA 0.824 5.167 4.340 0.005 0.000 0.296 59 R C -1.045 175.246 176.300 -0.015 0.000 1.052 59 R CA 0.080 56.149 56.100 -0.051 0.000 0.988 59 R CB 0.939 31.196 30.300 -0.072 0.000 1.025 59 R HN 0.782 nan 8.270 nan 0.000 0.469 60 T N 6.491 121.047 114.554 0.003 0.000 3.032 60 T HA 0.362 4.715 4.350 0.005 0.000 0.312 60 T C -2.657 172.062 174.700 0.032 0.000 1.078 60 T CA -1.135 60.978 62.100 0.023 0.000 1.028 60 T CB 2.110 71.002 68.868 0.039 0.000 1.091 60 T HN 0.465 nan 8.240 nan 0.000 0.457 61 P HA 0.608 nan 4.420 nan 0.000 0.293 61 P C -1.096 176.221 177.300 0.029 0.000 1.304 61 P CA -0.766 62.349 63.100 0.025 0.000 0.767 61 P CB 0.616 32.324 31.700 0.013 0.000 1.247 62 L N 0.429 121.664 121.223 0.021 0.000 2.333 62 L HA 0.438 4.781 4.340 0.005 0.000 0.269 62 L C -1.534 175.335 176.870 -0.003 0.000 1.010 62 L CA -2.202 52.645 54.840 0.010 0.000 0.818 62 L CB 0.366 42.428 42.059 0.005 0.000 1.306 62 L HN 0.276 nan 8.230 nan 0.000 0.430 63 P HA -0.066 nan 4.420 nan 0.000 0.217 63 P C 0.204 177.488 177.300 -0.027 0.000 1.150 63 P CA 0.621 63.711 63.100 -0.017 0.000 0.832 63 P CB 0.112 31.800 31.700 -0.020 0.000 0.787 64 N N 0.251 118.925 118.700 -0.043 0.000 2.305 64 N HA -0.096 4.647 4.740 0.005 0.000 0.232 64 N C 1.227 176.716 175.510 -0.035 0.000 1.274 64 N CA 0.590 53.607 53.050 -0.054 0.000 0.870 64 N CB 0.431 38.868 38.487 -0.085 0.000 1.105 64 N HN -0.027 nan 8.380 nan 0.000 0.436 65 E N 1.470 121.649 120.200 -0.035 0.000 2.016 65 E HA -0.091 4.262 4.350 0.005 0.000 0.190 65 E C 0.770 177.363 176.600 -0.011 0.000 0.985 65 E CA 1.016 57.404 56.400 -0.021 0.000 0.802 65 E CB -0.355 29.332 29.700 -0.021 0.000 0.762 65 E HN 0.754 nan 8.360 nan 0.000 0.448 66 I N -0.411 120.151 120.570 -0.012 0.000 2.320 66 I HA 0.309 4.483 4.170 0.005 0.000 0.283 66 I C -0.337 175.796 176.117 0.027 0.000 1.086 66 I CA 0.270 61.577 61.300 0.011 0.000 1.539 66 I CB -0.056 37.956 38.000 0.021 0.000 1.504 66 I HN -0.142 nan 8.210 nan 0.000 0.661 67 L N 2.308 123.543 121.223 0.020 0.000 2.588 67 L HA 0.658 5.001 4.340 0.005 0.000 0.263 67 L C 0.409 177.297 176.870 0.030 0.000 0.935 67 L CA -0.655 54.204 54.840 0.033 0.000 0.891 67 L CB 1.993 44.053 42.059 0.001 0.000 1.318 67 L HN 0.539 nan 8.230 nan 0.000 0.409 68 G N 3.280 112.106 108.800 0.043 0.000 2.588 68 G HA2 0.593 4.556 3.960 0.005 0.000 0.281 68 G HA3 0.593 4.556 3.960 0.005 0.000 0.281 68 G C -2.753 172.171 174.900 0.040 0.000 1.236 68 G CA -0.941 44.181 45.100 0.037 0.000 0.969 68 G HN 0.318 nan 8.290 nan 0.000 0.504 69 P HA 0.381 nan 4.420 nan 0.000 0.275 69 P C -0.565 176.775 177.300 0.066 0.000 1.266 69 P CA -0.314 62.812 63.100 0.042 0.000 0.793 69 P CB 1.048 32.764 31.700 0.026 0.000 1.074 70 V N -3.729 116.233 119.914 0.080 0.000 2.817 70 V HA 0.419 4.542 4.120 0.005 0.000 0.303 70 V C -0.637 175.518 176.094 0.100 0.000 1.151 70 V CA -0.964 61.407 62.300 0.119 0.000 0.929 70 V CB 1.614 33.541 31.823 0.173 0.000 1.030 70 V HN 0.360 nan 8.190 nan 0.000 0.427 71 E N 2.852 123.121 120.200 0.116 0.000 2.384 71 E HA 0.375 4.728 4.350 0.005 0.000 0.266 71 E C -0.680 175.928 176.600 0.014 0.000 1.012 71 E CA -0.063 56.370 56.400 0.054 0.000 0.901 71 E CB 0.943 30.753 29.700 0.182 0.000 0.967 71 E HN 0.760 nan 8.360 nan 0.000 0.435 72 Q N 2.041 121.701 119.800 -0.234 0.000 2.337 72 Q HA 0.310 4.653 4.340 0.005 0.000 0.270 72 Q C -1.285 174.411 176.000 -0.507 0.000 1.043 72 Q CA -0.462 55.156 55.803 -0.307 0.000 0.794 72 Q CB 1.511 30.092 28.738 -0.260 0.000 1.281 72 Q HN 0.541 nan 8.270 nan 0.000 0.446 73 Y N 2.098 122.284 120.300 -0.189 0.000 2.553 73 Y HA 0.301 4.854 4.550 0.005 0.000 0.369 73 Y C -0.397 175.380 175.900 -0.205 0.000 0.964 73 Y CA -0.611 57.440 58.100 -0.082 0.000 1.156 73 Y CB 0.429 38.968 38.460 0.133 0.000 1.218 73 Y HN 0.378 nan 8.280 nan 0.000 0.630 74 L N 0.862 121.924 121.223 -0.268 0.000 2.461 74 L HA 0.329 4.672 4.340 0.005 0.000 0.272 74 L C 1.273 177.982 176.870 -0.267 0.000 1.197 74 L CA 0.092 54.656 54.840 -0.460 0.000 0.836 74 L CB 0.340 41.901 42.059 -0.829 0.000 1.105 74 L HN 0.778 nan 8.230 nan 0.000 0.477 75 G N 2.265 110.936 108.800 -0.215 0.000 2.350 75 G HA2 -0.190 3.773 3.960 0.005 0.000 0.298 75 G HA3 -0.190 3.773 3.960 0.005 0.000 0.298 75 G C -0.374 174.529 174.900 0.004 0.000 1.037 75 G CA -0.134 44.906 45.100 -0.101 0.000 1.074 75 G HN 0.348 nan 8.290 nan 0.000 0.511 76 V N 1.558 121.531 119.914 0.099 0.000 2.617 76 V HA 0.668 4.791 4.120 0.005 0.000 0.298 76 V C -1.816 174.399 176.094 0.201 0.000 1.048 76 V CA -1.631 60.751 62.300 0.137 0.000 0.964 76 V CB 2.174 34.048 31.823 0.085 0.000 1.004 76 V HN 0.294 nan 8.190 nan 0.000 0.466 77 P HA 0.321 nan 4.420 nan 0.000 0.296 77 P C -1.020 175.999 177.300 -0.469 0.000 1.306 77 P CA -0.209 62.796 63.100 -0.157 0.000 0.818 77 P CB 0.576 32.264 31.700 -0.020 0.000 0.969 78 Y N 1.720 121.600 120.300 -0.699 0.000 2.481 78 Y HA 0.794 5.348 4.550 0.006 0.000 0.247 78 Y C -0.096 175.572 175.900 -0.387 0.000 1.151 78 Y CA -0.815 56.766 58.100 -0.865 0.000 1.238 78 Y CB 0.093 38.122 38.460 -0.720 0.000 1.179 78 Y HN 0.437 nan 8.280 nan 0.000 0.524 79 A N -0.313 122.120 122.820 -0.645 0.000 2.557 79 A HA 0.701 5.024 4.320 0.005 0.000 0.292 79 A C -1.167 176.220 177.584 -0.328 0.000 1.139 79 A CA -0.771 50.998 52.037 -0.448 0.000 0.665 79 A CB 0.682 19.309 19.000 -0.622 0.000 1.285 79 A HN 0.039 nan 8.150 nan 0.000 0.433 80 S N 1.636 117.227 115.700 -0.182 0.000 2.480 80 S HA 0.599 5.072 4.470 0.005 0.000 0.286 80 S C -2.583 171.933 174.600 -0.140 0.000 1.180 80 S CA -0.883 57.249 58.200 -0.114 0.000 1.075 80 S CB 0.732 63.919 63.200 -0.021 0.000 0.996 80 S HN 0.445 nan 8.310 nan 0.000 0.487 81 P HA -0.010 nan 4.420 nan 0.000 0.257 81 P C -2.370 174.883 177.300 -0.079 0.000 1.153 81 P CA -0.633 62.410 63.100 -0.094 0.000 0.762 81 P CB -0.213 31.469 31.700 -0.029 0.000 0.743 82 P HA -0.007 nan 4.420 nan 0.000 0.231 82 P C 0.006 177.255 177.300 -0.084 0.000 1.756 82 P CA 0.338 63.381 63.100 -0.094 0.000 0.990 82 P CB -0.131 31.493 31.700 -0.127 0.000 1.973 83 T N -0.662 113.862 114.554 -0.050 0.000 2.912 83 T HA 0.487 4.840 4.350 0.005 0.000 0.280 83 T C 1.729 176.424 174.700 -0.009 0.000 0.989 83 T CA 0.613 62.692 62.100 -0.035 0.000 0.995 83 T CB 0.619 69.471 68.868 -0.026 0.000 1.077 83 T HN 0.273 nan 8.240 nan 0.000 0.531 84 G N 2.091 110.893 108.800 0.003 0.000 3.310 84 G HA2 -0.441 3.522 3.960 0.005 0.000 0.355 84 G HA3 -0.441 3.522 3.960 0.005 0.000 0.355 84 G C 1.188 176.119 174.900 0.051 0.000 1.811 84 G CA 1.997 47.114 45.100 0.028 0.000 2.003 84 G HN 0.823 nan 8.290 nan 0.000 1.001 85 E N 0.701 120.925 120.200 0.041 0.000 2.014 85 E HA -0.016 4.337 4.350 0.005 0.000 0.190 85 E C 2.867 179.503 176.600 0.061 0.000 0.980 85 E CA 1.446 57.877 56.400 0.053 0.000 0.807 85 E CB -0.352 29.373 29.700 0.042 0.000 0.770 85 E HN 0.490 nan 8.360 nan 0.000 0.451 86 R N 1.444 121.964 120.500 0.034 0.000 2.133 86 R HA -0.150 4.193 4.340 0.005 0.000 0.245 86 R C 0.562 176.857 176.300 -0.009 0.000 1.137 86 R CA 1.073 57.185 56.100 0.020 0.000 0.947 86 R CB -1.604 28.691 30.300 -0.007 0.000 0.865 86 R HN 0.197 nan 8.270 nan 0.000 0.437 87 R N 1.126 121.586 120.500 -0.066 0.000 2.640 87 R HA -0.220 4.123 4.340 0.005 0.000 0.255 87 R C 0.132 176.346 176.300 -0.143 0.000 0.882 87 R CA 1.106 57.059 56.100 -0.245 0.000 1.082 87 R CB -0.626 29.631 30.300 -0.072 0.000 0.883 87 R HN 0.415 nan 8.270 nan 0.000 0.421 88 F N -2.018 117.713 119.950 -0.365 0.000 3.074 88 F HA -0.292 4.238 4.527 0.005 0.000 0.289 88 F C 0.590 176.191 175.800 -0.332 0.000 0.863 88 F CA 1.219 58.817 58.000 -0.671 0.000 1.121 88 F CB -1.543 37.269 39.000 -0.314 0.000 1.169 88 F HN 0.612 nan 8.300 nan 0.000 0.570 89 Q N -0.594 119.209 119.800 0.006 0.000 2.377 89 Q HA 0.597 4.940 4.340 0.005 0.000 0.279 89 Q C -2.611 173.570 176.000 0.301 0.000 1.049 89 Q CA -2.039 53.943 55.803 0.298 0.000 0.825 89 Q CB 2.463 31.300 28.738 0.165 0.000 1.401 89 Q HN -0.224 nan 8.270 nan 0.000 0.404 90 P HA 0.172 nan 4.420 nan 0.000 0.271 90 P C -2.581 174.794 177.300 0.124 0.000 1.233 90 P CA -0.833 62.384 63.100 0.195 0.000 0.789 90 P CB -0.032 31.748 31.700 0.133 0.000 0.951 91 P HA 0.305 nan 4.420 nan 0.000 0.293 91 P C -0.715 176.615 177.300 0.050 0.000 1.300 91 P CA -0.214 62.911 63.100 0.042 0.000 0.792 91 P CB 0.913 32.623 31.700 0.016 0.000 0.925 92 E N 4.342 124.563 120.200 0.034 0.000 2.283 92 E HA 0.341 4.694 4.350 0.005 0.000 0.271 92 E C -2.061 174.565 176.600 0.044 0.000 1.031 92 E CA -2.047 54.385 56.400 0.054 0.000 0.868 92 E CB 0.000 29.733 29.700 0.055 0.000 1.094 92 E HN 0.372 nan 8.360 nan 0.000 0.401 93 P HA -0.103 nan 4.420 nan 0.000 0.272 93 P C -2.454 174.905 177.300 0.099 0.000 1.225 93 P CA -0.426 62.762 63.100 0.147 0.000 0.800 93 P CB -0.256 31.610 31.700 0.276 0.000 0.894 94 P HA 0.173 nan 4.420 nan 0.000 0.282 94 P C -0.307 177.197 177.300 0.341 0.000 1.287 94 P CA -0.127 63.039 63.100 0.110 0.000 0.792 94 P CB 0.657 32.345 31.700 -0.020 0.000 1.163 95 S N -0.939 114.957 115.700 0.326 0.000 2.666 95 S HA 0.517 4.991 4.470 0.005 0.000 0.230 95 S C 0.228 174.989 174.600 0.268 0.000 1.146 95 S CA -0.273 58.094 58.200 0.279 0.000 1.162 95 S CB -0.164 63.175 63.200 0.233 0.000 1.085 95 S HN 0.632 nan 8.310 nan 0.000 0.514 96 S N -0.163 115.654 115.700 0.195 0.000 2.542 96 S HA 0.581 5.055 4.470 0.005 0.000 0.276 96 S C -2.097 172.588 174.600 0.141 0.000 1.148 96 S CA -0.918 57.257 58.200 -0.043 0.000 0.886 96 S CB 0.438 63.546 63.200 -0.154 0.000 1.109 96 S HN 0.658 nan 8.310 nan 0.000 0.458 97 W N 1.697 123.055 121.300 0.096 0.000 3.207 97 W HA 0.870 5.533 4.660 0.005 0.000 0.326 97 W C -0.397 176.155 176.519 0.056 0.000 1.190 97 W CA -0.809 56.580 57.345 0.072 0.000 1.011 97 W CB -0.129 29.380 29.460 0.081 0.000 1.511 97 W HN 0.647 nan 8.180 nan 0.000 0.606 98 T N -1.507 113.236 114.554 0.315 0.000 2.888 98 T HA 0.757 5.110 4.350 0.005 0.000 0.288 98 T C 0.496 175.372 174.700 0.293 0.000 1.063 98 T CA -0.107 62.115 62.100 0.205 0.000 1.010 98 T CB 0.887 69.813 68.868 0.097 0.000 1.214 98 T HN 1.936 nan 8.240 nan 0.000 0.533 99 G N 1.030 109.950 108.800 0.200 0.000 2.523 99 G HA2 -0.152 3.811 3.960 0.005 0.000 0.271 99 G HA3 -0.152 3.811 3.960 0.005 0.000 0.271 99 G C -0.455 174.587 174.900 0.237 0.000 1.146 99 G CA 0.143 45.346 45.100 0.173 0.000 0.961 99 G HN 1.207 nan 8.290 nan 0.000 0.549 100 I N -0.232 120.450 120.570 0.187 0.000 2.892 100 I HA 0.778 4.951 4.170 0.005 0.000 0.306 100 I C 0.089 176.216 176.117 0.016 0.000 1.078 100 I CA -1.083 60.316 61.300 0.164 0.000 1.032 100 I CB 2.243 40.301 38.000 0.097 0.000 1.229 100 I HN 0.605 nan 8.210 nan 0.000 0.435 101 R N 2.709 123.163 120.500 -0.075 0.000 2.483 101 R HA 0.353 4.696 4.340 0.005 0.000 0.303 101 R C -1.367 174.833 176.300 -0.166 0.000 0.987 101 R CA -0.748 55.160 56.100 -0.320 0.000 0.881 101 R CB 1.343 31.096 30.300 -0.911 0.000 1.177 101 R HN 0.641 nan 8.270 nan 0.000 0.451 102 N N 2.187 120.796 118.700 -0.150 0.000 2.423 102 N HA -0.022 4.721 4.740 0.005 0.000 0.275 102 N C -0.511 174.929 175.510 -0.117 0.000 1.283 102 N CA 0.669 53.650 53.050 -0.116 0.000 0.932 102 N CB 0.929 39.340 38.487 -0.126 0.000 1.185 102 N HN 0.421 nan 8.380 nan 0.000 0.483 103 T N -1.180 113.339 114.554 -0.059 0.000 3.145 103 T HA 0.359 4.712 4.350 0.005 0.000 0.362 103 T C 0.462 175.109 174.700 -0.089 0.000 1.340 103 T CA -0.788 61.286 62.100 -0.043 0.000 1.069 103 T CB -0.067 68.855 68.868 0.090 0.000 1.129 103 T HN 0.384 nan 8.240 nan 0.000 0.585 104 T N -0.363 114.109 114.554 -0.137 0.000 3.641 104 T HA 0.301 4.654 4.350 0.005 0.000 0.313 104 T C -0.241 174.360 174.700 -0.165 0.000 0.952 104 T CA -0.702 61.300 62.100 -0.163 0.000 1.004 104 T CB -0.214 68.564 68.868 -0.149 0.000 1.209 104 T HN 0.739 nan 8.240 nan 0.000 0.493 105 Q N 0.441 120.132 119.800 -0.183 0.000 2.438 105 Q HA 0.459 4.802 4.340 0.005 0.000 0.272 105 Q C -1.517 174.400 176.000 -0.139 0.000 0.994 105 Q CA -1.033 54.686 55.803 -0.140 0.000 0.887 105 Q CB 0.814 29.530 28.738 -0.035 0.000 1.432 105 Q HN 0.179 nan 8.270 nan 0.000 0.392 106 F N 1.679 121.612 119.950 -0.029 0.000 2.590 106 F HA 0.246 4.776 4.527 0.005 0.000 0.389 106 F C 1.156 176.912 175.800 -0.073 0.000 1.049 106 F CA 0.343 58.327 58.000 -0.027 0.000 1.199 106 F CB 0.378 39.391 39.000 0.020 0.000 1.058 106 F HN 0.676 nan 8.300 nan 0.000 0.556 107 A N 3.385 126.200 122.820 -0.008 0.000 2.366 107 A HA 0.617 4.940 4.320 0.005 0.000 0.249 107 A C 0.449 178.027 177.584 -0.010 0.000 1.084 107 A CA -0.329 51.610 52.037 -0.163 0.000 0.794 107 A CB -0.063 18.559 19.000 -0.630 0.000 1.034 107 A HN 1.025 nan 8.150 nan 0.000 0.491 108 A N 0.026 122.835 122.820 -0.019 0.000 2.577 108 A HA 0.390 4.713 4.320 0.005 0.000 0.233 108 A C 0.818 178.454 177.584 0.086 0.000 1.076 108 A CA 0.573 52.637 52.037 0.045 0.000 0.767 108 A CB -0.574 18.450 19.000 0.041 0.000 1.017 108 A HN 2.279 nan 8.150 nan 0.000 0.511 109 V N -0.563 119.408 119.914 0.095 0.000 3.438 109 V HA 0.646 4.769 4.120 0.005 0.000 0.298 109 V C 0.806 176.960 176.094 0.099 0.000 1.148 109 V CA -0.820 61.543 62.300 0.103 0.000 0.994 109 V CB 0.767 32.635 31.823 0.075 0.000 1.236 109 V HN 1.041 nan 8.190 nan 0.000 0.455 110 c N 0.746 119.395 118.600 0.081 0.000 2.560 110 c HA 0.442 5.015 4.570 0.005 0.000 0.334 110 c C -2.153 171.979 174.090 0.071 0.000 1.404 110 c CA -0.413 55.958 56.329 0.071 0.000 2.410 110 c CB -0.243 42.288 42.510 0.035 0.000 2.268 110 c HN 0.875 nan 8.230 nan 0.000 0.673 111 P HA 0.049 nan 4.420 nan 0.000 0.256 111 P C -1.128 176.186 177.300 0.024 0.000 1.189 111 P CA 0.992 64.116 63.100 0.041 0.000 0.808 111 P CB -0.448 31.264 31.700 0.021 0.000 0.793 112 Q N 2.153 121.971 119.800 0.030 0.000 2.315 112 Q HA 0.487 4.830 4.340 0.005 0.000 0.273 112 Q C -1.447 174.589 176.000 0.059 0.000 1.053 112 Q CA -0.901 54.923 55.803 0.035 0.000 0.817 112 Q CB 2.336 31.097 28.738 0.037 0.000 1.326 112 Q HN 0.461 nan 8.270 nan 0.000 0.423 113 H N 4.681 123.720 119.070 -0.052 0.000 2.667 113 H HA 0.395 4.954 4.556 0.006 0.000 0.353 113 H C -1.453 173.840 175.328 -0.059 0.000 1.072 113 H CA -0.894 55.117 56.048 -0.062 0.000 1.214 113 H CB 1.659 31.375 29.762 -0.076 0.000 1.600 113 H HN 0.710 nan 8.280 nan 0.000 0.527 114 L N 3.531 124.396 121.223 -0.596 0.000 2.384 114 L HA 0.293 4.637 4.340 0.005 0.000 0.261 114 L C -0.035 176.543 176.870 -0.486 0.000 1.024 114 L CA -0.746 53.850 54.840 -0.407 0.000 0.899 114 L CB 0.426 42.308 42.059 -0.294 0.000 1.243 114 L HN 0.534 nan 8.230 nan 0.000 0.449 115 D N 2.508 122.712 120.400 -0.325 0.000 2.389 115 D HA 0.002 4.645 4.640 0.005 0.000 0.263 115 D C 1.131 177.340 176.300 -0.153 0.000 1.255 115 D CA 0.325 54.227 54.000 -0.163 0.000 0.914 115 D CB 1.297 42.094 40.800 -0.004 0.000 1.116 115 D HN 0.512 nan 8.370 nan 0.000 0.502 116 E N 2.310 122.417 120.200 -0.154 0.000 2.236 116 E HA -0.219 4.135 4.350 0.005 0.000 0.205 116 E C 0.827 177.364 176.600 -0.106 0.000 1.028 116 E CA 1.240 57.553 56.400 -0.146 0.000 0.827 116 E CB 0.077 29.710 29.700 -0.112 0.000 0.735 116 E HN 0.369 nan 8.360 nan 0.000 0.470 117 R N -1.798 118.668 120.500 -0.057 0.000 2.680 117 R HA 0.359 4.702 4.340 0.005 0.000 0.269 117 R C -1.030 175.270 176.300 -0.000 0.000 1.026 117 R CA 0.308 56.407 56.100 -0.002 0.000 0.889 117 R CB 1.763 32.087 30.300 0.041 0.000 1.241 117 R HN -0.040 nan 8.270 nan 0.000 0.463 118 S N 1.520 117.233 115.700 0.022 0.000 3.424 118 S HA -0.098 4.375 4.470 0.005 0.000 0.276 118 S C -0.958 173.650 174.600 0.014 0.000 1.280 118 S CA 0.374 58.584 58.200 0.017 0.000 0.801 118 S CB -0.939 62.270 63.200 0.015 0.000 1.010 118 S HN 0.434 nan 8.310 nan 0.000 0.673 119 L N 0.934 122.161 121.223 0.008 0.000 2.884 119 L HA 0.672 5.015 4.340 0.005 0.000 0.199 119 L C 0.940 177.825 176.870 0.024 0.000 1.828 119 L CA -0.151 54.683 54.840 -0.009 0.000 2.124 119 L CB -0.082 41.935 42.059 -0.071 0.000 2.736 119 L HN 0.312 nan 8.230 nan 0.000 0.592 120 L N 0.430 121.659 121.223 0.010 0.000 2.791 120 L HA 0.135 4.478 4.340 0.005 0.000 0.239 120 L C 1.554 178.445 176.870 0.036 0.000 1.203 120 L CA 0.360 55.214 54.840 0.023 0.000 1.002 120 L CB -2.296 39.757 42.059 -0.010 0.000 1.295 120 L HN 0.731 nan 8.230 nan 0.000 0.504 121 H N 1.396 120.434 119.070 -0.053 0.000 1.835 121 H HA -0.376 4.183 4.556 0.005 0.000 0.171 121 H C 1.848 177.141 175.328 -0.057 0.000 1.199 121 H CA 2.685 58.699 56.048 -0.056 0.000 1.661 121 H CB 0.173 29.915 29.762 -0.033 0.000 1.993 121 H HN 0.388 nan 8.280 nan 0.000 0.831 122 D N -0.368 120.163 120.400 0.217 0.000 2.348 122 D HA -0.076 4.567 4.640 0.005 0.000 0.216 122 D C 1.515 177.831 176.300 0.028 0.000 0.970 122 D CA 1.468 55.603 54.000 0.225 0.000 0.889 122 D CB 0.071 41.087 40.800 0.359 0.000 0.912 122 D HN 0.684 nan 8.370 nan 0.000 0.524 123 M N -1.887 117.565 119.600 -0.247 0.000 2.327 123 M HA 0.263 4.746 4.480 0.005 0.000 0.365 123 M C -0.065 175.891 176.300 -0.573 0.000 0.992 123 M CA -0.319 54.629 55.300 -0.588 0.000 0.985 123 M CB 0.549 32.324 32.600 -1.376 0.000 1.673 123 M HN -0.329 nan 8.290 nan 0.000 0.586 124 L N 2.312 123.300 121.223 -0.392 0.000 2.475 124 L HA 0.436 4.779 4.340 0.005 0.000 0.212 124 L C -2.058 174.535 176.870 -0.461 0.000 1.204 124 L CA -1.383 53.241 54.840 -0.361 0.000 0.843 124 L CB -0.122 41.831 42.059 -0.177 0.000 1.360 124 L HN 0.036 nan 8.230 nan 0.000 0.527 125 P HA 0.125 nan 4.420 nan 0.000 0.304 125 P C 0.872 177.970 177.300 -0.338 0.000 1.366 125 P CA -0.476 62.446 63.100 -0.297 0.000 0.859 125 P CB 1.230 32.685 31.700 -0.409 0.000 0.961 126 I N 4.619 125.114 120.570 -0.124 0.000 2.850 126 I HA -0.232 3.941 4.170 0.005 0.000 0.221 126 I C 0.548 176.633 176.117 -0.052 0.000 0.864 126 I CA 2.180 63.444 61.300 -0.060 0.000 1.196 126 I CB -0.525 37.494 38.000 0.031 0.000 0.926 126 I HN 0.543 nan 8.210 nan 0.000 0.373 127 W N 0.692 121.975 121.300 -0.028 0.000 1.317 127 W HA 0.225 4.888 4.660 0.005 0.000 0.492 127 W C 0.410 176.957 176.519 0.046 0.000 0.581 127 W CA -0.452 56.842 57.345 -0.085 0.000 2.503 127 W CB -1.266 28.040 29.460 -0.257 0.000 1.157 127 W HN 0.376 nan 8.180 nan 0.000 0.299 128 F N 0.452 120.200 119.950 -0.337 0.000 1.713 128 F HA -0.104 4.426 4.527 0.004 0.000 0.255 128 F C 2.236 177.840 175.800 -0.327 0.000 1.240 128 F CA 1.724 59.476 58.000 -0.413 0.000 1.298 128 F CB -0.680 37.891 39.000 -0.715 0.000 1.971 128 F HN -0.198 nan 8.300 nan 0.000 0.169 129 T N 1.455 115.855 114.554 -0.256 0.000 2.869 129 T HA 0.257 4.610 4.350 0.005 0.000 0.270 129 T C 0.759 175.260 174.700 -0.333 0.000 1.082 129 T CA 1.292 63.140 62.100 -0.421 0.000 1.123 129 T CB -0.586 67.976 68.868 -0.510 0.000 0.856 129 T HN 0.491 nan 8.240 nan 0.000 0.499 130 A N -0.292 122.399 122.820 -0.215 0.000 2.524 130 A HA 0.727 5.050 4.320 0.005 0.000 0.286 130 A C 0.791 178.300 177.584 -0.125 0.000 1.203 130 A CA -0.060 51.883 52.037 -0.158 0.000 0.736 130 A CB 0.663 19.602 19.000 -0.101 0.000 1.322 130 A HN 0.187 nan 8.150 nan 0.000 0.424 131 N N -1.998 116.644 118.700 -0.097 0.000 1.678 131 N HA -0.246 4.497 4.740 0.005 0.000 0.212 131 N C 1.477 176.929 175.510 -0.098 0.000 1.147 131 N CA 1.187 54.198 53.050 -0.065 0.000 4.069 131 N CB -1.136 37.347 38.487 -0.007 0.000 0.680 131 N HN 1.294 nan 8.380 nan 0.000 0.280 132 L N 1.027 122.147 121.223 -0.173 0.000 2.592 132 L HA -0.466 3.877 4.340 0.005 0.000 0.223 132 L C 1.188 177.947 176.870 -0.185 0.000 1.166 132 L CA 3.385 58.056 54.840 -0.281 0.000 0.817 132 L CB -1.928 39.905 42.059 -0.377 0.000 0.996 132 L HN 0.571 nan 8.230 nan 0.000 0.423 133 D N -0.253 120.058 120.400 -0.149 0.000 2.958 133 D HA -0.244 4.399 4.640 0.005 0.000 0.309 133 D C 1.528 177.762 176.300 -0.111 0.000 1.093 133 D CA 2.764 56.693 54.000 -0.119 0.000 1.071 133 D CB -0.684 40.061 40.800 -0.091 0.000 1.220 133 D HN 0.540 nan 8.370 nan 0.000 0.496 134 T N 0.462 114.962 114.554 -0.090 0.000 3.287 134 T HA 0.260 4.613 4.350 0.005 0.000 0.253 134 T C 0.521 175.169 174.700 -0.086 0.000 0.975 134 T CA -0.153 61.887 62.100 -0.101 0.000 0.912 134 T CB -0.288 68.527 68.868 -0.088 0.000 1.071 134 T HN 0.115 nan 8.240 nan 0.000 0.578 135 L N 0.966 122.161 121.223 -0.046 0.000 3.035 135 L HA 0.508 4.851 4.340 0.005 0.000 0.232 135 L C 0.647 177.537 176.870 0.032 0.000 1.341 135 L CA 0.149 55.031 54.840 0.070 0.000 1.177 135 L CB -0.581 41.578 42.059 0.166 0.000 1.555 135 L HN 0.304 nan 8.230 nan 0.000 0.473 136 M N -0.841 118.673 119.600 -0.144 0.000 4.510 136 M HA 0.081 4.564 4.480 0.005 0.000 0.567 136 M C 0.431 176.553 176.300 -0.295 0.000 2.034 136 M CA 0.134 55.339 55.300 -0.157 0.000 0.564 136 M CB 1.090 33.613 32.600 -0.129 0.000 1.478 136 M HN 0.009 nan 8.290 nan 0.000 0.607 137 T N -0.396 113.781 114.554 -0.629 0.000 3.129 137 T HA 0.069 4.422 4.350 0.005 0.000 0.251 137 T C 0.521 174.816 174.700 -0.675 0.000 1.117 137 T CA 0.958 62.655 62.100 -0.672 0.000 1.034 137 T CB -0.151 68.271 68.868 -0.743 0.000 0.968 137 T HN 0.423 nan 8.240 nan 0.000 0.526 138 Y N -1.452 118.817 120.300 -0.051 0.000 2.527 138 Y HA 0.488 5.040 4.550 0.005 0.000 0.247 138 Y C 1.609 177.489 175.900 -0.034 0.000 1.138 138 Y CA -0.905 57.156 58.100 -0.064 0.000 1.228 138 Y CB -0.612 37.784 38.460 -0.108 0.000 1.252 138 Y HN 0.003 nan 8.280 nan 0.000 0.531 139 V N 0.697 120.634 119.914 0.038 0.000 2.265 139 V HA -0.178 3.946 4.120 0.005 0.000 0.224 139 V C 1.007 177.108 176.094 0.012 0.000 1.023 139 V CA 1.156 63.466 62.300 0.017 0.000 1.011 139 V CB -0.353 31.448 31.823 -0.036 0.000 0.651 139 V HN 0.446 nan 8.190 nan 0.000 0.466 140 Q N 1.348 121.139 119.800 -0.016 0.000 2.431 140 Q HA -0.019 4.325 4.340 0.005 0.000 0.349 140 Q C -0.098 175.910 176.000 0.014 0.000 1.119 140 Q CA 1.650 57.451 55.803 -0.004 0.000 1.065 140 Q CB -0.682 28.041 28.738 -0.024 0.000 1.149 140 Q HN 0.832 nan 8.270 nan 0.000 0.403 141 D N 2.107 122.526 120.400 0.033 0.000 3.358 141 D HA -0.122 4.521 4.640 0.005 0.000 0.249 141 D C -1.610 174.729 176.300 0.065 0.000 1.025 141 D CA 0.683 54.710 54.000 0.044 0.000 0.981 141 D CB -0.711 40.110 40.800 0.034 0.000 0.973 141 D HN 0.691 nan 8.370 nan 0.000 0.421 142 Q N 1.652 121.508 119.800 0.093 0.000 2.320 142 Q HA 0.445 4.788 4.340 0.005 0.000 0.268 142 Q C -0.716 175.394 176.000 0.183 0.000 1.023 142 Q CA -0.833 55.045 55.803 0.125 0.000 0.744 142 Q CB 1.827 30.637 28.738 0.120 0.000 1.246 142 Q HN 0.287 nan 8.270 nan 0.000 0.462 143 N N 1.691 120.468 118.700 0.127 0.000 2.314 143 N HA 0.044 4.787 4.740 0.005 0.000 0.294 143 N C 0.310 175.867 175.510 0.078 0.000 1.029 143 N CA -0.014 53.079 53.050 0.071 0.000 0.845 143 N CB 1.841 40.332 38.487 0.006 0.000 1.321 143 N HN 0.727 nan 8.380 nan 0.000 0.481 144 E N 1.658 121.883 120.200 0.041 0.000 2.130 144 E HA -0.234 4.119 4.350 0.005 0.000 0.196 144 E C -0.073 176.541 176.600 0.023 0.000 0.998 144 E CA 1.096 57.521 56.400 0.041 0.000 0.806 144 E CB 0.038 29.737 29.700 -0.001 0.000 0.738 144 E HN 0.509 nan 8.360 nan 0.000 0.459 145 D N -0.092 120.319 120.400 0.019 0.000 2.389 145 D HA -0.093 4.550 4.640 0.005 0.000 0.278 145 D C -0.089 176.338 176.300 0.213 0.000 1.398 145 D CA 0.127 54.171 54.000 0.073 0.000 1.090 145 D CB 0.252 41.098 40.800 0.077 0.000 1.108 145 D HN 0.227 nan 8.370 nan 0.000 0.532 146 c N 4.422 123.122 118.600 0.167 0.000 3.919 146 c HA 0.279 4.852 4.570 0.005 0.000 0.422 146 c C 0.767 175.000 174.090 0.238 0.000 1.533 146 c CA -0.392 56.090 56.329 0.256 0.000 2.014 146 c CB -0.741 41.851 42.510 0.136 0.000 2.967 146 c HN 0.558 nan 8.230 nan 0.000 0.692 147 L N 2.886 124.020 121.223 -0.149 0.000 2.574 147 L HA 0.275 4.618 4.340 0.005 0.000 0.281 147 L C -1.043 175.472 176.870 -0.592 0.000 1.212 147 L CA 0.621 55.238 54.840 -0.372 0.000 1.082 147 L CB -0.781 40.801 42.059 -0.795 0.000 1.362 147 L HN 0.380 nan 8.230 nan 0.000 0.451 148 Y N 2.588 123.051 120.300 0.271 0.000 2.553 148 Y HA 0.639 5.192 4.550 0.005 0.000 0.347 148 Y C -0.207 175.852 175.900 0.265 0.000 1.019 148 Y CA -1.334 56.914 58.100 0.246 0.000 1.032 148 Y CB 2.012 40.530 38.460 0.096 0.000 1.284 148 Y HN 0.224 nan 8.280 nan 0.000 0.466 149 L N 0.049 121.417 121.223 0.242 0.000 2.309 149 L HA 0.771 5.114 4.340 0.005 0.000 0.261 149 L C -1.298 175.601 176.870 0.048 0.000 1.021 149 L CA -1.416 53.460 54.840 0.061 0.000 0.823 149 L CB 1.569 43.520 42.059 -0.180 0.000 1.366 149 L HN 0.474 nan 8.230 nan 0.000 0.423 150 N N 1.706 120.450 118.700 0.072 0.000 2.314 150 N HA 0.669 5.412 4.740 0.005 0.000 0.304 150 N C -1.220 174.294 175.510 0.007 0.000 1.073 150 N CA -0.329 52.723 53.050 0.003 0.000 0.822 150 N CB 2.522 41.050 38.487 0.068 0.000 1.280 150 N HN 0.574 nan 8.380 nan 0.000 0.489 151 I N 1.758 122.250 120.570 -0.131 0.000 2.418 151 I HA 0.347 4.520 4.170 0.005 0.000 0.287 151 I C -0.950 175.102 176.117 -0.107 0.000 1.008 151 I CA -0.588 60.679 61.300 -0.055 0.000 1.104 151 I CB 0.447 38.336 38.000 -0.185 0.000 1.264 151 I HN 0.372 nan 8.210 nan 0.000 0.438 152 Y N 4.769 125.158 120.300 0.149 0.000 2.328 152 Y HA 0.607 5.160 4.550 0.006 0.000 0.336 152 Y C 0.069 176.071 175.900 0.169 0.000 0.960 152 Y CA -1.034 57.168 58.100 0.169 0.000 1.134 152 Y CB 2.164 40.706 38.460 0.136 0.000 1.166 152 Y HN 0.241 nan 8.280 nan 0.000 0.464 153 V N 5.249 125.358 119.914 0.324 0.000 2.540 153 V HA 0.464 4.587 4.120 0.005 0.000 0.302 153 V C -2.507 173.715 176.094 0.214 0.000 1.035 153 V CA -2.549 59.912 62.300 0.267 0.000 0.873 153 V CB 2.007 34.029 31.823 0.331 0.000 0.992 153 V HN 0.522 nan 8.190 nan 0.000 0.428 154 P HA 0.292 nan 4.420 nan 0.000 0.280 154 P C 0.665 178.027 177.300 0.103 0.000 1.244 154 P CA -0.123 63.050 63.100 0.122 0.000 0.784 154 P CB 0.874 32.630 31.700 0.093 0.000 0.913 155 T N 0.300 114.904 114.554 0.084 0.000 2.985 155 T HA -0.085 4.268 4.350 0.005 0.000 0.266 155 T C 0.636 175.362 174.700 0.043 0.000 1.076 155 T CA 0.672 62.811 62.100 0.066 0.000 1.135 155 T CB -0.489 68.408 68.868 0.049 0.000 0.890 155 T HN 0.596 nan 8.240 nan 0.000 0.480 156 E N 2.573 122.793 120.200 0.034 0.000 2.442 156 E HA 0.011 4.364 4.350 0.005 0.000 0.262 156 E C -1.194 175.403 176.600 -0.005 0.000 1.004 156 E CA -0.310 56.097 56.400 0.012 0.000 0.928 156 E CB 0.318 30.023 29.700 0.008 0.000 0.937 156 E HN 0.106 nan 8.360 nan 0.000 0.446 157 D N 3.574 123.961 120.400 -0.022 0.000 2.316 157 D HA 0.089 4.732 4.640 0.005 0.000 0.245 157 D C -0.547 175.692 176.300 -0.101 0.000 1.171 157 D CA -0.260 53.714 54.000 -0.045 0.000 0.856 157 D CB 1.058 41.837 40.800 -0.036 0.000 1.090 157 D HN 0.386 nan 8.370 nan 0.000 0.476 158 D N 1.589 121.899 120.400 -0.150 0.000 2.434 158 D HA 0.013 4.656 4.640 0.005 0.000 0.232 158 D C 1.011 176.997 176.300 -0.523 0.000 1.166 158 D CA -0.206 53.586 54.000 -0.347 0.000 0.830 158 D CB 0.099 40.730 40.800 -0.282 0.000 0.960 158 D HN 0.440 nan 8.370 nan 0.000 0.497 159 I N -0.464 119.951 120.570 -0.258 0.000 2.734 159 I HA 0.085 4.258 4.170 0.005 0.000 0.301 159 I C 0.165 176.214 176.117 -0.113 0.000 1.127 159 I CA -0.213 60.997 61.300 -0.151 0.000 2.292 159 I CB -1.701 36.261 38.000 -0.063 0.000 1.590 159 I HN -0.120 nan 8.210 nan 0.000 1.053 165 K N 2.699 123.131 120.400 0.052 0.000 2.422 165 K HA 0.460 4.783 4.320 0.005 0.000 0.251 165 K C -0.900 175.730 176.600 0.051 0.000 0.933 165 K CA -1.017 55.300 56.287 0.050 0.000 0.798 165 K CB 1.946 34.472 32.500 0.043 0.000 1.238 165 K HN 0.483 nan 8.250 nan 0.000 0.428 166 K N 2.172 122.606 120.400 0.057 0.000 2.319 166 K HA 0.140 4.464 4.320 0.005 0.000 0.265 166 K C -2.338 174.288 176.600 0.044 0.000 1.000 166 K CA -1.305 55.014 56.287 0.054 0.000 0.943 166 K CB 0.026 32.564 32.500 0.063 0.000 0.950 166 K HN 0.234 nan 8.250 nan 0.000 0.485 167 P HA 0.089 nan 4.420 nan 0.000 0.277 167 P C -1.073 176.248 177.300 0.035 0.000 1.276 167 P CA -0.539 62.571 63.100 0.016 0.000 0.788 167 P CB 0.613 32.303 31.700 -0.016 0.000 1.114 168 V N -2.753 117.183 119.914 0.036 0.000 3.007 168 V HA 0.659 4.783 4.120 0.005 0.000 0.311 168 V C -0.562 175.577 176.094 0.074 0.000 1.120 168 V CA -0.761 61.580 62.300 0.067 0.000 0.980 168 V CB 2.076 33.947 31.823 0.080 0.000 1.033 168 V HN 0.340 nan 8.190 nan 0.000 0.429 169 M N 2.654 122.336 119.600 0.135 0.000 2.098 169 M HA 0.483 4.966 4.480 0.005 0.000 0.265 169 M C -1.366 175.186 176.300 0.421 0.000 0.940 169 M CA -0.322 55.106 55.300 0.213 0.000 1.007 169 M CB 2.053 34.698 32.600 0.075 0.000 1.823 169 M HN 0.601 nan 8.290 nan 0.000 0.453 170 V N 3.027 123.161 119.914 0.367 0.000 2.432 170 V HA 0.251 4.375 4.120 0.005 0.000 0.275 170 V C -0.930 175.341 176.094 0.295 0.000 1.043 170 V CA -0.544 61.931 62.300 0.291 0.000 0.925 170 V CB 0.919 32.822 31.823 0.132 0.000 0.985 170 V HN 0.614 nan 8.190 nan 0.000 0.466 171 Y N 5.775 126.094 120.300 0.032 0.000 2.417 171 Y HA 0.513 5.067 4.550 0.005 0.000 0.336 171 Y C -0.060 175.768 175.900 -0.121 0.000 0.961 171 Y CA -1.226 56.708 58.100 -0.278 0.000 1.215 171 Y CB 0.817 39.113 38.460 -0.274 0.000 1.120 171 Y HN 0.462 nan 8.280 nan 0.000 0.499 172 I N 7.335 127.552 120.570 -0.588 0.000 2.363 172 I HA 0.039 4.212 4.170 0.005 0.000 0.292 172 I C 0.187 175.862 176.117 -0.737 0.000 1.075 172 I CA -0.193 60.785 61.300 -0.538 0.000 1.333 172 I CB -0.554 37.176 38.000 -0.450 0.000 1.415 172 I HN 0.689 nan 8.210 nan 0.000 0.502 173 H N 3.816 122.683 119.070 -0.338 0.000 2.525 173 H HA 0.698 5.257 4.556 0.005 0.000 0.339 173 H C 0.408 175.722 175.328 -0.024 0.000 1.109 173 H CA -0.706 55.237 56.048 -0.175 0.000 1.352 173 H CB 0.816 30.653 29.762 0.124 0.000 1.461 173 H HN 0.604 nan 8.280 nan 0.000 0.533 174 G N 0.487 109.310 108.800 0.039 0.000 2.671 174 G HA2 0.593 4.556 3.960 0.005 0.000 0.275 174 G HA3 0.593 4.556 3.960 0.005 0.000 0.275 174 G C 0.117 174.973 174.900 -0.073 0.000 1.368 174 G CA -0.599 44.474 45.100 -0.044 0.000 1.044 174 G HN 1.124 nan 8.290 nan 0.000 0.543 175 G N -1.730 106.964 108.800 -0.177 0.000 1.876 175 G HA2 0.222 4.185 3.960 0.005 0.000 0.059 175 G HA3 0.222 4.185 3.960 0.005 0.000 0.059 175 G C 0.200 174.917 174.900 -0.305 0.000 0.755 175 G CA 1.023 45.980 45.100 -0.238 0.000 1.092 175 G HN 1.535 nan 8.290 nan 0.000 0.322 176 S N 0.027 115.545 115.700 -0.303 0.000 3.041 176 S HA 0.567 5.040 4.470 0.005 0.000 0.250 176 S C -0.019 174.401 174.600 -0.301 0.000 0.898 176 S CA 0.406 58.384 58.200 -0.370 0.000 1.100 176 S CB -0.704 62.376 63.200 -0.200 0.000 1.149 176 S HN 1.213 nan 8.310 nan 0.000 0.540 177 Y N 0.595 120.858 120.300 -0.061 0.000 2.637 177 Y HA -0.377 4.176 4.550 0.006 0.000 0.390 177 Y C 0.881 176.769 175.900 -0.019 0.000 1.650 177 Y CA 0.823 58.875 58.100 -0.079 0.000 1.402 177 Y CB -1.065 37.189 38.460 -0.344 0.000 1.942 177 Y HN 0.494 nan 8.280 nan 0.000 0.305 178 M N -0.724 118.985 119.600 0.180 0.000 2.175 178 M HA -0.191 4.292 4.480 0.005 0.000 0.192 178 M C -0.295 176.048 176.300 0.071 0.000 0.473 178 M CA 1.782 57.146 55.300 0.107 0.000 0.414 178 M CB -1.691 30.963 32.600 0.089 0.000 1.069 178 M HN 1.045 nan 8.290 nan 0.000 0.933 179 E N -0.475 119.769 120.200 0.073 0.000 2.383 179 E HA 0.644 4.998 4.350 0.005 0.000 0.274 179 E C -0.105 176.554 176.600 0.098 0.000 1.205 179 E CA 0.076 56.530 56.400 0.090 0.000 0.912 179 E CB 0.522 30.305 29.700 0.140 0.000 1.345 179 E HN 1.593 nan 8.360 nan 0.000 0.413 180 G N -0.402 108.465 108.800 0.112 0.000 2.828 180 G HA2 0.272 4.236 3.960 0.005 0.000 0.463 180 G HA3 0.272 4.236 3.960 0.005 0.000 0.463 180 G C -0.432 174.430 174.900 -0.064 0.000 1.394 180 G CA 0.420 45.538 45.100 0.031 0.000 0.862 180 G HN 1.394 nan 8.290 nan 0.000 0.540 181 T N -1.802 112.480 114.554 -0.454 0.000 2.840 181 T HA 0.661 5.014 4.350 0.005 0.000 0.317 181 T C 1.387 175.384 174.700 -1.172 0.000 1.401 181 T CA 0.779 62.421 62.100 -0.763 0.000 1.028 181 T CB 1.035 69.730 68.868 -0.289 0.000 1.317 181 T HN 2.052 nan 8.240 nan 0.000 0.495 182 G N 1.673 110.003 108.800 -0.783 0.000 2.534 182 G HA2 -0.055 3.909 3.960 0.005 0.000 0.217 182 G HA3 -0.055 3.909 3.960 0.005 0.000 0.217 182 G C 1.087 175.891 174.900 -0.160 0.000 1.128 182 G CA 0.370 45.374 45.100 -0.161 0.000 0.784 182 G HN 0.708 nan 8.290 nan 0.000 0.542 183 N N 1.065 119.604 118.700 -0.268 0.000 2.381 183 N HA -0.078 4.665 4.740 0.005 0.000 0.182 183 N C 2.286 177.276 175.510 -0.866 0.000 1.025 183 N CA 1.187 53.923 53.050 -0.524 0.000 0.888 183 N CB -0.326 37.779 38.487 -0.637 0.000 0.965 183 N HN 0.618 nan 8.380 nan 0.000 0.438 184 M N -1.727 117.397 119.600 -0.794 0.000 2.419 184 M HA 0.120 4.603 4.480 0.005 0.000 0.264 184 M C -0.043 175.979 176.300 -0.464 0.000 1.082 184 M CA 0.938 55.703 55.300 -0.893 0.000 1.119 184 M CB 0.299 32.544 32.600 -0.592 0.000 1.398 184 M HN -0.206 nan 8.290 nan 0.000 0.453 185 I N 2.972 123.291 120.570 -0.417 0.000 2.304 185 I HA 0.207 4.380 4.170 0.005 0.000 0.291 185 I C -0.759 175.079 176.117 -0.465 0.000 1.018 185 I CA -0.498 60.477 61.300 -0.541 0.000 1.260 185 I CB 0.873 38.309 38.000 -0.939 0.000 1.390 185 I HN 0.123 nan 8.210 nan 0.000 0.475 186 D N 4.841 125.016 120.400 -0.376 0.000 2.295 186 D HA 0.258 4.901 4.640 0.005 0.000 0.248 186 D C 1.165 177.209 176.300 -0.426 0.000 1.154 186 D CA -0.209 53.637 54.000 -0.257 0.000 0.857 186 D CB 1.702 42.453 40.800 -0.082 0.000 1.117 186 D HN 0.688 nan 8.370 nan 0.000 0.468 187 G N 2.292 110.632 108.800 -0.768 0.000 2.430 187 G HA2 -0.194 3.769 3.960 0.005 0.000 0.216 187 G HA3 -0.194 3.769 3.960 0.005 0.000 0.216 187 G C 1.480 176.130 174.900 -0.417 0.000 1.146 187 G CA 0.725 45.485 45.100 -0.567 0.000 0.793 187 G HN 0.585 nan 8.290 nan 0.000 0.537 188 S N 1.345 116.733 115.700 -0.520 0.000 2.414 188 S HA -0.296 4.177 4.470 0.005 0.000 0.241 188 S C 2.214 176.812 174.600 -0.003 0.000 1.079 188 S CA 1.576 59.760 58.200 -0.026 0.000 1.087 188 S CB -0.582 62.726 63.200 0.180 0.000 0.927 188 S HN 0.397 nan 8.310 nan 0.000 0.456 189 I N 0.991 121.531 120.570 -0.049 0.000 2.163 189 I HA -0.172 4.002 4.170 0.005 0.000 0.243 189 I C 2.578 178.694 176.117 -0.002 0.000 1.085 189 I CA 1.483 62.755 61.300 -0.046 0.000 1.347 189 I CB -0.513 37.419 38.000 -0.113 0.000 1.044 189 I HN 0.279 nan 8.210 nan 0.000 0.408 190 L N 1.360 122.582 121.223 -0.001 0.000 1.976 190 L HA -0.137 4.206 4.340 0.005 0.000 0.209 190 L C 2.679 179.587 176.870 0.064 0.000 1.071 190 L CA 2.197 57.054 54.840 0.029 0.000 0.746 190 L CB -0.966 41.076 42.059 -0.029 0.000 0.890 190 L HN 0.205 nan 8.230 nan 0.000 0.432 191 A N -1.178 121.674 122.820 0.054 0.000 1.909 191 A HA -0.384 3.939 4.320 0.005 0.000 0.221 191 A C 2.567 180.209 177.584 0.097 0.000 1.223 191 A CA 2.888 54.981 52.037 0.094 0.000 0.658 191 A CB -1.553 17.535 19.000 0.146 0.000 0.831 191 A HN 0.607 nan 8.150 nan 0.000 0.462 192 S N -2.679 113.083 115.700 0.102 0.000 2.357 192 S HA -0.129 4.345 4.470 0.005 0.000 0.221 192 S C 1.922 176.596 174.600 0.123 0.000 1.031 192 S CA 1.390 59.653 58.200 0.105 0.000 0.982 192 S CB -0.516 62.742 63.200 0.096 0.000 0.853 192 S HN 0.645 nan 8.310 nan 0.000 0.458 193 Y N 1.948 122.241 120.300 -0.010 0.000 2.145 193 Y HA 0.050 4.603 4.550 0.006 0.000 0.286 193 Y C 2.248 178.144 175.900 -0.006 0.000 1.145 193 Y CA 1.568 59.656 58.100 -0.020 0.000 1.148 193 Y CB -0.989 37.442 38.460 -0.048 0.000 0.981 193 Y HN 0.293 nan 8.280 nan 0.000 0.507 194 G N -0.896 107.850 108.800 -0.091 0.000 3.042 194 G HA2 -0.117 3.846 3.960 0.005 0.000 0.212 194 G HA3 -0.117 3.846 3.960 0.005 0.000 0.212 194 G C 0.189 175.042 174.900 -0.079 0.000 1.166 194 G CA 0.232 45.230 45.100 -0.171 0.000 0.767 194 G HN 0.574 nan 8.290 nan 0.000 0.546 195 N N -0.829 117.858 118.700 -0.022 0.000 2.641 195 N HA -0.165 4.579 4.740 0.005 0.000 0.267 195 N C -0.462 175.060 175.510 0.021 0.000 1.087 195 N CA 0.247 53.305 53.050 0.013 0.000 0.731 195 N CB -0.794 37.697 38.487 0.007 0.000 0.886 195 N HN 0.438 nan 8.380 nan 0.000 0.547 196 V N -0.840 119.095 119.914 0.035 0.000 2.971 196 V HA 0.628 4.751 4.120 0.005 0.000 0.309 196 V C 0.461 176.601 176.094 0.075 0.000 1.130 196 V CA -1.172 61.150 62.300 0.037 0.000 0.964 196 V CB 1.807 33.632 31.823 0.004 0.000 1.029 196 V HN 0.126 nan 8.190 nan 0.000 0.427 197 I N 2.619 123.243 120.570 0.089 0.000 2.441 197 I HA 0.437 4.611 4.170 0.005 0.000 0.287 197 I C -0.339 175.871 176.117 0.155 0.000 1.049 197 I CA -0.456 60.922 61.300 0.129 0.000 1.381 197 I CB 1.561 39.625 38.000 0.108 0.000 1.409 197 I HN 0.429 nan 8.210 nan 0.000 0.523 198 V N 7.828 127.875 119.914 0.221 0.000 2.513 198 V HA 0.485 4.608 4.120 0.005 0.000 0.299 198 V C -0.049 176.265 176.094 0.367 0.000 1.035 198 V CA -0.513 61.949 62.300 0.269 0.000 0.889 198 V CB 2.210 34.153 31.823 0.200 0.000 0.988 198 V HN 0.475 nan 8.190 nan 0.000 0.440 199 I N 3.862 124.640 120.570 0.347 0.000 2.468 199 I HA 0.341 4.515 4.170 0.005 0.000 0.284 199 I C 0.145 176.456 176.117 0.323 0.000 1.038 199 I CA -0.301 61.187 61.300 0.313 0.000 1.083 199 I CB 2.341 40.450 38.000 0.182 0.000 1.223 199 I HN 0.684 nan 8.210 nan 0.000 0.443 200 T N 5.008 119.778 114.554 0.360 0.000 2.909 200 T HA 0.751 5.105 4.350 0.005 0.000 0.289 200 T C -0.167 174.681 174.700 0.247 0.000 1.005 200 T CA -0.599 61.698 62.100 0.328 0.000 1.084 200 T CB 1.809 70.864 68.868 0.311 0.000 0.975 200 T HN 0.510 nan 8.240 nan 0.000 0.509 201 I N -0.968 119.750 120.570 0.246 0.000 3.002 201 I HA 0.701 4.874 4.170 0.005 0.000 0.310 201 I C -0.964 175.365 176.117 0.354 0.000 1.087 201 I CA -1.307 60.093 61.300 0.167 0.000 1.017 201 I CB 2.199 40.169 38.000 -0.049 0.000 1.226 201 I HN 0.350 nan 8.210 nan 0.000 0.443 202 N N 2.139 121.054 118.700 0.358 0.000 2.362 202 N HA 0.507 5.250 4.740 0.005 0.000 0.298 202 N C -1.617 174.188 175.510 0.492 0.000 1.048 202 N CA -0.279 53.029 53.050 0.429 0.000 0.858 202 N CB 1.810 40.498 38.487 0.335 0.000 1.218 202 N HN 0.706 nan 8.380 nan 0.000 0.488 203 Y N -1.291 119.188 120.300 0.298 0.000 2.545 203 Y HA 0.555 5.108 4.550 0.005 0.000 0.348 203 Y C 0.338 176.360 175.900 0.203 0.000 1.002 203 Y CA -1.283 56.965 58.100 0.247 0.000 1.039 203 Y CB 0.740 39.301 38.460 0.169 0.000 1.271 203 Y HN 0.216 nan 8.280 nan 0.000 0.467 204 R N 1.611 122.228 120.500 0.196 0.000 2.740 204 R HA 0.303 4.647 4.340 0.005 0.000 0.263 204 R C -1.249 175.114 176.300 0.105 0.000 0.997 204 R CA 0.311 56.458 56.100 0.079 0.000 1.108 204 R CB 0.171 30.492 30.300 0.036 0.000 0.969 204 R HN 0.791 nan 8.270 nan 0.000 0.431 205 L N 1.481 122.756 121.223 0.086 0.000 2.431 205 L HA 0.319 4.662 4.340 0.005 0.000 0.266 205 L C 0.915 177.911 176.870 0.211 0.000 0.978 205 L CA 0.033 54.969 54.840 0.160 0.000 0.822 205 L CB 2.120 44.186 42.059 0.012 0.000 1.310 205 L HN 0.976 nan 8.230 nan 0.000 0.409 206 G N 2.573 111.591 108.800 0.364 0.000 2.677 206 G HA2 -0.395 3.568 3.960 0.005 0.000 0.321 206 G HA3 -0.395 3.568 3.960 0.005 0.000 0.321 206 G C 0.793 175.823 174.900 0.217 0.000 1.181 206 G CA 0.987 46.234 45.100 0.245 0.000 0.965 206 G HN 0.680 nan 8.290 nan 0.000 0.548 207 I N 0.787 121.277 120.570 -0.133 0.000 2.406 207 I HA 0.184 4.357 4.170 0.005 0.000 0.249 207 I C 2.656 178.822 176.117 0.081 0.000 1.122 207 I CA 1.476 62.594 61.300 -0.303 0.000 1.431 207 I CB -0.120 37.554 38.000 -0.542 0.000 1.087 207 I HN 0.509 nan 8.210 nan 0.000 0.424 208 L N 0.120 121.333 121.223 -0.018 0.000 2.141 208 L HA -0.073 4.270 4.340 0.005 0.000 0.209 208 L C 2.027 178.775 176.870 -0.203 0.000 1.094 208 L CA 1.782 56.498 54.840 -0.206 0.000 0.763 208 L CB -0.457 41.486 42.059 -0.194 0.000 0.908 208 L HN 0.371 nan 8.230 nan 0.000 0.437 209 G N -2.341 106.491 108.800 0.053 0.000 2.921 209 G HA2 -0.011 3.953 3.960 0.005 0.000 0.213 209 G HA3 -0.011 3.953 3.960 0.005 0.000 0.213 209 G C 0.629 175.488 174.900 -0.069 0.000 1.143 209 G CA -0.092 45.034 45.100 0.042 0.000 0.764 209 G HN 0.378 nan 8.290 nan 0.000 0.542 210 F N -0.434 119.711 119.950 0.325 0.000 2.960 210 F HA 0.391 4.921 4.527 0.006 0.000 0.345 210 F C 0.357 176.392 175.800 0.392 0.000 1.147 210 F CA -0.853 57.350 58.000 0.338 0.000 1.099 210 F CB 0.631 39.752 39.000 0.202 0.000 1.219 210 F HN -0.049 nan 8.300 nan 0.000 0.525 211 L N 1.383 122.978 121.223 0.619 0.000 2.513 211 L HA 0.400 4.743 4.340 0.005 0.000 0.272 211 L C 0.193 177.292 176.870 0.382 0.000 1.187 211 L CA 0.658 55.808 54.840 0.517 0.000 0.895 211 L CB 0.747 43.172 42.059 0.610 0.000 1.147 211 L HN 0.059 nan 8.230 nan 0.000 0.483 212 S N 1.833 117.649 115.700 0.194 0.000 2.557 212 S HA 0.383 4.856 4.470 0.005 0.000 0.291 212 S C 0.817 175.454 174.600 0.062 0.000 1.116 212 S CA -0.088 58.196 58.200 0.141 0.000 0.992 212 S CB 1.594 64.842 63.200 0.080 0.000 1.028 212 S HN 0.884 nan 8.310 nan 0.000 0.484 213 T N 1.383 115.973 114.554 0.061 0.000 2.951 213 T HA 0.246 4.599 4.350 0.005 0.000 0.268 213 T C 1.503 176.204 174.700 0.000 0.000 1.073 213 T CA 1.151 63.263 62.100 0.021 0.000 1.134 213 T CB -0.547 68.334 68.868 0.022 0.000 0.884 213 T HN 1.861 nan 8.240 nan 0.000 0.479 214 G N 2.083 110.886 108.800 0.004 0.000 2.141 214 G HA2 -0.106 3.857 3.960 0.005 0.000 0.231 214 G HA3 -0.106 3.857 3.960 0.005 0.000 0.231 214 G C -0.427 174.463 174.900 -0.017 0.000 0.984 214 G CA 0.060 45.149 45.100 -0.019 0.000 0.660 214 G HN 1.033 nan 8.290 nan 0.000 0.525 215 D N -1.632 118.767 120.400 -0.001 0.000 2.795 215 D HA 0.429 5.072 4.640 0.005 0.000 0.206 215 D C 0.791 177.099 176.300 0.014 0.000 1.278 215 D CA -0.036 53.963 54.000 -0.001 0.000 0.839 215 D CB 0.572 41.368 40.800 -0.006 0.000 1.700 215 D HN 0.111 nan 8.370 nan 0.000 0.549 216 Q N 1.015 120.823 119.800 0.013 0.000 1.855 216 Q HA -0.362 3.981 4.340 0.005 0.000 0.172 216 Q C 1.738 177.764 176.000 0.044 0.000 2.940 216 Q CA 3.328 59.145 55.803 0.023 0.000 0.189 216 Q CB -2.334 26.413 28.738 0.015 0.000 0.229 216 Q HN 0.824 nan 8.270 nan 0.000 0.360 217 A N 0.667 123.514 122.820 0.044 0.000 2.066 217 A HA 0.464 4.787 4.320 0.005 0.000 0.218 217 A C 1.101 178.747 177.584 0.103 0.000 1.157 217 A CA 1.743 53.813 52.037 0.055 0.000 0.670 217 A CB 0.005 19.021 19.000 0.027 0.000 0.804 217 A HN 1.171 nan 8.150 nan 0.000 0.453 218 A N -0.761 122.135 122.820 0.127 0.000 3.124 218 A HA 0.494 4.817 4.320 0.005 0.000 0.295 218 A C 0.553 178.250 177.584 0.189 0.000 1.199 218 A CA -0.274 51.914 52.037 0.253 0.000 0.845 218 A CB 0.131 19.276 19.000 0.242 0.000 1.381 218 A HN 0.222 nan 8.150 nan 0.000 0.537 219 K N 0.744 121.192 120.400 0.080 0.000 2.044 219 K HA 0.179 4.502 4.320 0.005 0.000 0.210 219 K C 1.200 177.747 176.600 -0.089 0.000 1.049 219 K CA 1.653 57.918 56.287 -0.037 0.000 0.927 219 K CB -0.003 32.441 32.500 -0.094 0.000 0.713 219 K HN 1.483 nan 8.250 nan 0.000 0.443 220 G N -0.526 108.118 108.800 -0.260 0.000 2.331 220 G HA2 -0.107 3.856 3.960 0.005 0.000 0.402 220 G HA3 -0.107 3.856 3.960 0.005 0.000 0.402 220 G C -1.232 173.317 174.900 -0.585 0.000 1.275 220 G CA -0.462 44.486 45.100 -0.253 0.000 1.003 220 G HN 0.177 nan 8.290 nan 0.000 0.500 221 N N -1.254 117.247 118.700 -0.332 0.000 2.758 221 N HA -0.192 4.552 4.740 0.005 0.000 0.248 221 N C 0.856 176.058 175.510 -0.513 0.000 1.076 221 N CA 1.465 54.292 53.050 -0.372 0.000 0.696 221 N CB -1.235 37.105 38.487 -0.245 0.000 0.979 221 N HN 0.621 nan 8.380 nan 0.000 0.550 222 Y N 0.190 120.226 120.300 -0.440 0.000 2.220 222 Y HA -0.047 4.506 4.550 0.005 0.000 0.291 222 Y C 2.532 178.240 175.900 -0.320 0.000 1.129 222 Y CA 1.453 59.372 58.100 -0.302 0.000 1.161 222 Y CB -0.378 37.949 38.460 -0.221 0.000 0.997 222 Y HN 0.276 nan 8.280 nan 0.000 0.522 223 G N 1.541 110.053 108.800 -0.480 0.000 2.806 223 G HA2 -0.250 3.713 3.960 0.005 0.000 0.214 223 G HA3 -0.250 3.713 3.960 0.005 0.000 0.214 223 G C 0.453 175.351 174.900 -0.003 0.000 1.331 223 G CA 1.004 46.018 45.100 -0.143 0.000 0.807 223 G HN 0.280 nan 8.290 nan 0.000 0.644 224 L N 0.336 121.539 121.223 -0.033 0.000 2.694 224 L HA 0.528 4.871 4.340 0.005 0.000 0.287 224 L C 0.608 177.447 176.870 -0.051 0.000 1.249 224 L CA 0.556 55.377 54.840 -0.031 0.000 1.177 224 L CB -0.799 41.266 42.059 0.010 0.000 1.435 224 L HN 0.362 nan 8.230 nan 0.000 0.440 225 L N -1.157 120.071 121.223 0.009 0.000 1.573 225 L HA -0.059 4.285 4.340 0.005 0.000 0.168 225 L C 1.280 178.227 176.870 0.128 0.000 1.289 225 L CA 0.434 55.301 54.840 0.045 0.000 1.288 225 L CB 0.036 42.079 42.059 -0.026 0.000 2.596 225 L HN 0.442 nan 8.230 nan 0.000 0.490 226 D N 0.669 121.159 120.400 0.150 0.000 2.097 226 D HA -0.196 4.447 4.640 0.005 0.000 0.197 226 D C 1.524 178.031 176.300 0.345 0.000 0.984 226 D CA 1.314 55.479 54.000 0.275 0.000 0.826 226 D CB -0.134 40.843 40.800 0.296 0.000 0.973 226 D HN 0.490 nan 8.370 nan 0.000 0.460 227 Q N 0.089 119.993 119.800 0.173 0.000 2.062 227 Q HA -0.193 4.150 4.340 0.005 0.000 0.209 227 Q C 2.368 178.409 176.000 0.068 0.000 0.996 227 Q CA 1.159 56.976 55.803 0.023 0.000 0.859 227 Q CB -0.228 28.438 28.738 -0.120 0.000 0.920 227 Q HN 0.258 nan 8.270 nan 0.000 0.415 228 I N 0.651 121.289 120.570 0.114 0.000 2.226 228 I HA -0.278 3.895 4.170 0.005 0.000 0.245 228 I C 2.464 178.702 176.117 0.202 0.000 1.100 228 I CA 1.489 62.887 61.300 0.165 0.000 1.374 228 I CB -0.669 37.456 38.000 0.207 0.000 1.057 228 I HN 0.181 nan 8.210 nan 0.000 0.413 229 Q N 0.943 120.887 119.800 0.241 0.000 2.167 229 Q HA -0.093 4.250 4.340 0.005 0.000 0.202 229 Q C 2.195 178.417 176.000 0.371 0.000 0.970 229 Q CA 1.931 57.909 55.803 0.292 0.000 0.855 229 Q CB -0.418 28.485 28.738 0.275 0.000 0.911 229 Q HN 0.482 nan 8.270 nan 0.000 0.438 230 A N 0.316 123.307 122.820 0.286 0.000 1.883 230 A HA -0.157 4.166 4.320 0.005 0.000 0.217 230 A C 2.109 179.764 177.584 0.118 0.000 1.186 230 A CA 1.617 53.617 52.037 -0.062 0.000 0.624 230 A CB -0.841 17.796 19.000 -0.604 0.000 0.822 230 A HN 0.460 nan 8.150 nan 0.000 0.444 231 L N -1.450 119.848 121.223 0.125 0.000 2.093 231 L HA -0.116 4.227 4.340 0.005 0.000 0.208 231 L C 2.774 179.766 176.870 0.204 0.000 1.085 231 L CA 1.602 56.542 54.840 0.166 0.000 0.755 231 L CB -0.387 41.776 42.059 0.174 0.000 0.904 231 L HN 0.400 nan 8.230 nan 0.000 0.435 232 R N -0.882 119.748 120.500 0.217 0.000 2.193 232 R HA -0.181 4.162 4.340 0.005 0.000 0.213 232 R C 2.153 178.584 176.300 0.217 0.000 1.055 232 R CA 0.889 57.102 56.100 0.188 0.000 0.995 232 R CB -0.164 30.236 30.300 0.166 0.000 0.893 232 R HN 0.388 nan 8.270 nan 0.000 0.459 233 W N 0.854 122.216 121.300 0.103 0.000 2.407 233 W HA -0.085 4.578 4.660 0.005 0.000 0.305 233 W C 1.519 178.089 176.519 0.085 0.000 1.196 233 W CA 1.264 58.662 57.345 0.088 0.000 1.311 233 W CB -0.199 29.307 29.460 0.076 0.000 1.135 233 W HN -0.060 nan 8.180 nan 0.000 0.514 234 I N 0.545 121.379 120.570 0.440 0.000 2.076 234 I HA -0.381 3.793 4.170 0.005 0.000 0.237 234 I C 2.605 178.759 176.117 0.061 0.000 1.059 234 I CA 2.147 63.605 61.300 0.264 0.000 1.317 234 I CB -1.035 37.114 38.000 0.248 0.000 1.037 234 I HN 0.085 nan 8.210 nan 0.000 0.398 235 E N 1.031 121.285 120.200 0.091 0.000 2.217 235 E HA -0.353 4.000 4.350 0.005 0.000 0.219 235 E C 1.938 178.531 176.600 -0.012 0.000 1.070 235 E CA 2.394 58.825 56.400 0.051 0.000 0.889 235 E CB -0.114 29.628 29.700 0.071 0.000 0.768 235 E HN 0.572 nan 8.360 nan 0.000 0.465 236 E N -0.800 119.359 120.200 -0.067 0.000 2.112 236 E HA -0.034 4.320 4.350 0.005 0.000 0.190 236 E C 1.863 178.351 176.600 -0.186 0.000 0.979 236 E CA 0.800 57.128 56.400 -0.119 0.000 0.814 236 E CB 0.057 29.687 29.700 -0.116 0.000 0.762 236 E HN 0.343 nan 8.360 nan 0.000 0.460 237 N N -0.178 118.321 118.700 -0.335 0.000 2.397 237 N HA -0.015 4.728 4.740 0.005 0.000 0.190 237 N C 1.769 177.260 175.510 -0.032 0.000 1.099 237 N CA 0.105 52.959 53.050 -0.327 0.000 0.876 237 N CB 0.708 38.668 38.487 -0.878 0.000 1.143 237 N HN -0.069 nan 8.380 nan 0.000 0.468 238 V N 2.033 121.935 119.914 -0.019 0.000 2.439 238 V HA -0.213 3.911 4.120 0.005 0.000 0.253 238 V C 2.273 178.477 176.094 0.183 0.000 1.074 238 V CA 2.305 64.659 62.300 0.091 0.000 1.076 238 V CB -0.946 30.900 31.823 0.038 0.000 0.664 238 V HN 0.347 nan 8.190 nan 0.000 0.461 239 G N -0.487 108.372 108.800 0.098 0.000 2.505 239 G HA2 -0.309 3.654 3.960 0.005 0.000 0.220 239 G HA3 -0.309 3.654 3.960 0.005 0.000 0.220 239 G C 1.585 176.543 174.900 0.097 0.000 1.145 239 G CA 0.975 46.122 45.100 0.078 0.000 0.761 239 G HN 0.812 nan 8.290 nan 0.000 0.571 240 A N -0.830 122.046 122.820 0.092 0.000 2.235 240 A HA 0.452 4.775 4.320 0.005 0.000 0.208 240 A C 1.845 179.351 177.584 -0.130 0.000 1.172 240 A CA 0.548 52.566 52.037 -0.031 0.000 0.786 240 A CB -0.287 18.642 19.000 -0.119 0.000 0.804 240 A HN 0.354 nan 8.150 nan 0.000 0.479 241 F N -1.450 118.475 119.950 -0.041 0.000 2.315 241 F HA 0.367 4.897 4.527 0.005 0.000 0.284 241 F C 1.992 177.797 175.800 0.008 0.000 1.049 241 F CA 1.081 59.051 58.000 -0.050 0.000 1.323 241 F CB 0.311 39.256 39.000 -0.093 0.000 1.113 241 F HN 0.276 nan 8.300 nan 0.000 0.544 242 G N -0.421 108.523 108.800 0.239 0.000 4.755 242 G HA2 0.263 4.226 3.960 0.005 0.000 0.220 242 G HA3 0.263 4.226 3.960 0.005 0.000 0.220 242 G C -0.057 174.911 174.900 0.114 0.000 0.675 242 G CA -0.079 45.106 45.100 0.142 0.000 1.040 242 G HN 0.522 nan 8.290 nan 0.000 0.727 243 G N -0.282 108.590 108.800 0.120 0.000 2.471 243 G HA2 0.516 4.480 3.960 0.005 0.000 0.332 243 G HA3 0.516 4.480 3.960 0.005 0.000 0.332 243 G C -1.564 173.374 174.900 0.064 0.000 1.176 243 G CA -0.370 44.783 45.100 0.088 0.000 0.949 243 G HN 0.018 nan 8.290 nan 0.000 0.488 244 D N 0.779 121.209 120.400 0.050 0.000 2.461 244 D HA 0.378 5.021 4.640 0.005 0.000 0.240 244 D C -1.724 174.598 176.300 0.036 0.000 1.094 244 D CA -2.238 51.784 54.000 0.036 0.000 0.868 244 D CB 2.170 42.986 40.800 0.026 0.000 1.062 244 D HN -0.043 nan 8.370 nan 0.000 0.530 245 P HA -0.036 nan 4.420 nan 0.000 0.230 245 P C 0.854 178.176 177.300 0.037 0.000 1.158 245 P CA 0.624 63.749 63.100 0.041 0.000 0.769 245 P CB 0.330 32.048 31.700 0.030 0.000 0.807 246 K N -0.617 119.795 120.400 0.021 0.000 2.487 246 K HA 0.102 4.425 4.320 0.005 0.000 0.192 246 K C 0.967 177.571 176.600 0.008 0.000 1.027 246 K CA 0.381 56.674 56.287 0.010 0.000 1.054 246 K CB 0.323 32.821 32.500 -0.003 0.000 0.824 246 K HN 0.222 nan 8.250 nan 0.000 0.510 247 R N 1.021 121.529 120.500 0.015 0.000 2.727 247 R HA 0.194 4.537 4.340 0.005 0.000 0.410 247 R C -0.643 175.666 176.300 0.016 0.000 1.101 247 R CA -0.129 55.968 56.100 -0.004 0.000 1.045 247 R CB 1.009 31.296 30.300 -0.021 0.000 1.380 247 R HN -0.164 nan 8.270 nan 0.000 0.587 248 V N 1.432 121.385 119.914 0.066 0.000 2.530 248 V HA 0.215 4.338 4.120 0.005 0.000 0.282 248 V C 0.443 176.620 176.094 0.138 0.000 1.048 248 V CA 0.233 62.599 62.300 0.111 0.000 0.997 248 V CB 1.556 33.478 31.823 0.165 0.000 0.987 248 V HN 0.165 nan 8.190 nan 0.000 0.477 249 T N 6.291 120.904 114.554 0.098 0.000 2.841 249 T HA 0.574 4.927 4.350 0.005 0.000 0.285 249 T C -0.269 174.509 174.700 0.130 0.000 0.991 249 T CA -0.251 61.899 62.100 0.083 0.000 0.966 249 T CB 1.131 69.968 68.868 -0.053 0.000 0.962 249 T HN 0.640 nan 8.240 nan 0.000 0.438 250 I N 1.581 122.174 120.570 0.039 0.000 2.392 250 I HA 0.893 5.067 4.170 0.005 0.000 0.295 250 I C -1.076 175.150 176.117 0.182 0.000 0.985 250 I CA -0.985 60.328 61.300 0.023 0.000 1.221 250 I CB 1.000 38.780 38.000 -0.367 0.000 1.366 250 I HN 0.535 nan 8.210 nan 0.000 0.467 251 F N 3.256 123.192 119.950 -0.023 0.000 2.608 251 F HA 0.958 5.488 4.527 0.004 0.000 0.309 251 F C -0.501 175.303 175.800 0.007 0.000 1.103 251 F CA -1.261 56.767 58.000 0.046 0.000 0.954 251 F CB 1.156 40.256 39.000 0.167 0.000 1.267 251 F HN 0.735 nan 8.300 nan 0.000 0.444 252 G N 0.021 108.783 108.800 -0.065 0.000 2.642 252 G HA2 0.488 4.451 3.960 0.005 0.000 0.293 252 G HA3 0.488 4.451 3.960 0.005 0.000 0.293 252 G C -1.553 173.322 174.900 -0.043 0.000 1.341 252 G CA -0.958 43.948 45.100 -0.323 0.000 0.916 252 G HN 0.980 nan 8.290 nan 0.000 0.474 253 S N 0.561 116.217 115.700 -0.074 0.000 3.729 253 S HA 0.480 4.953 4.470 0.005 0.000 0.235 253 S C 1.580 176.235 174.600 0.092 0.000 1.367 253 S CA 0.804 59.091 58.200 0.146 0.000 0.907 253 S CB -0.850 62.542 63.200 0.320 0.000 1.471 253 S HN 2.339 nan 8.310 nan 0.000 0.476 254 G N 4.116 112.970 108.800 0.090 0.000 4.430 254 G HA2 -0.438 3.525 3.960 0.005 0.000 0.332 254 G HA3 -0.438 3.525 3.960 0.005 0.000 0.332 254 G C 1.340 176.326 174.900 0.142 0.000 1.338 254 G CA 0.512 45.704 45.100 0.153 0.000 1.024 254 G HN 1.609 nan 8.290 nan 0.000 0.750 255 A N 0.603 123.489 122.820 0.109 0.000 2.019 255 A HA 0.321 4.645 4.320 0.005 0.000 0.219 255 A C 2.770 180.243 177.584 -0.185 0.000 1.164 255 A CA 2.433 54.404 52.037 -0.110 0.000 0.644 255 A CB -0.903 17.936 19.000 -0.268 0.000 0.805 255 A HN 1.901 nan 8.150 nan 0.000 0.449 256 G N -0.930 107.802 108.800 -0.113 0.000 2.426 256 G HA2 0.169 4.132 3.960 0.005 0.000 0.214 256 G HA3 0.169 4.132 3.960 0.005 0.000 0.214 256 G C 1.673 176.490 174.900 -0.139 0.000 1.156 256 G CA 0.936 45.938 45.100 -0.163 0.000 0.802 256 G HN 0.722 nan 8.290 nan 0.000 0.534 257 A N 1.288 124.066 122.820 -0.070 0.000 2.032 257 A HA -0.059 4.264 4.320 0.005 0.000 0.221 257 A C 2.644 180.227 177.584 -0.002 0.000 1.165 257 A CA 2.276 54.297 52.037 -0.027 0.000 0.645 257 A CB -0.577 18.449 19.000 0.044 0.000 0.807 257 A HN 0.326 nan 8.150 nan 0.000 0.453 258 S N -0.238 115.483 115.700 0.035 0.000 2.365 258 S HA -0.287 4.186 4.470 0.005 0.000 0.221 258 S C 1.967 176.614 174.600 0.078 0.000 1.037 258 S CA 1.641 59.899 58.200 0.098 0.000 1.060 258 S CB -1.132 62.183 63.200 0.193 0.000 0.974 258 S HN 0.770 nan 8.310 nan 0.000 0.427 259 C N 1.479 120.819 119.300 0.066 0.000 2.401 259 C HA -0.056 4.407 4.460 0.005 0.000 0.276 259 C C 2.723 177.673 174.990 -0.067 0.000 1.233 259 C CA 0.552 59.576 59.018 0.010 0.000 1.753 259 C CB -1.595 26.094 27.740 -0.084 0.000 2.029 259 C HN 0.449 nan 8.230 nan 0.000 0.478 260 V N 0.465 120.310 119.914 -0.115 0.000 2.427 260 V HA -0.189 3.934 4.120 0.005 0.000 0.248 260 V C 2.631 178.647 176.094 -0.130 0.000 1.051 260 V CA 2.369 64.563 62.300 -0.177 0.000 1.048 260 V CB -0.882 30.836 31.823 -0.174 0.000 0.666 260 V HN 0.662 nan 8.190 nan 0.000 0.456 261 S N -0.503 115.162 115.700 -0.058 0.000 2.371 261 S HA -0.056 4.417 4.470 0.005 0.000 0.224 261 S C 1.937 176.539 174.600 0.004 0.000 1.029 261 S CA 1.213 59.396 58.200 -0.029 0.000 0.978 261 S CB -0.252 62.948 63.200 -0.001 0.000 0.833 261 S HN 0.505 nan 8.310 nan 0.000 0.466 262 L N 1.236 122.473 121.223 0.023 0.000 2.083 262 L HA -0.072 4.271 4.340 0.005 0.000 0.209 262 L C 2.404 179.304 176.870 0.050 0.000 1.083 262 L CA 0.925 55.793 54.840 0.047 0.000 0.752 262 L CB -0.486 41.608 42.059 0.059 0.000 0.899 262 L HN 0.359 nan 8.230 nan 0.000 0.433 263 L N -0.248 120.986 121.223 0.018 0.000 2.042 263 L HA -0.212 4.132 4.340 0.005 0.000 0.210 263 L C 2.807 179.759 176.870 0.136 0.000 1.076 263 L CA 2.157 57.033 54.840 0.061 0.000 0.749 263 L CB -1.375 40.671 42.059 -0.022 0.000 0.893 263 L HN 0.496 nan 8.230 nan 0.000 0.432 264 T N -1.105 113.478 114.554 0.048 0.000 2.751 264 T HA -0.252 4.102 4.350 0.005 0.000 0.268 264 T C 1.572 176.456 174.700 0.308 0.000 1.045 264 T CA 1.341 63.465 62.100 0.040 0.000 1.142 264 T CB -0.599 68.297 68.868 0.047 0.000 0.851 264 T HN 0.341 nan 8.240 nan 0.000 0.474 265 L N 0.526 121.885 121.223 0.227 0.000 2.628 265 L HA 0.354 4.697 4.340 0.005 0.000 0.229 265 L C 1.074 178.068 176.870 0.207 0.000 1.137 265 L CA -0.321 54.663 54.840 0.240 0.000 0.909 265 L CB 0.003 42.165 42.059 0.172 0.000 1.137 265 L HN 0.146 nan 8.230 nan 0.000 0.470 266 S N -1.080 114.753 115.700 0.223 0.000 2.525 266 S HA 0.142 4.616 4.470 0.005 0.000 0.290 266 S C 1.243 176.018 174.600 0.291 0.000 1.152 266 S CA -0.575 57.757 58.200 0.219 0.000 1.072 266 S CB 0.853 64.159 63.200 0.178 0.000 1.027 266 S HN 0.339 nan 8.310 nan 0.000 0.500 267 H N 3.595 122.800 119.070 0.225 0.000 2.466 267 H HA -0.174 4.385 4.556 0.005 0.000 0.297 267 H C 0.499 176.018 175.328 0.318 0.000 1.113 267 H CA 2.209 58.415 56.048 0.264 0.000 1.273 267 H CB 0.093 30.043 29.762 0.313 0.000 1.371 267 H HN 0.844 nan 8.280 nan 0.000 0.528 268 Y N -0.790 119.537 120.300 0.046 0.000 2.436 268 Y HA -0.012 4.541 4.550 0.005 0.000 0.288 268 Y C 2.965 178.895 175.900 0.049 0.000 1.112 268 Y CA 0.299 58.402 58.100 0.006 0.000 1.220 268 Y CB 0.420 38.925 38.460 0.075 0.000 1.073 268 Y HN 0.118 nan 8.280 nan 0.000 0.552 269 S N 0.161 116.029 115.700 0.279 0.000 2.406 269 S HA -0.131 4.342 4.470 0.005 0.000 0.228 269 S C 0.521 175.213 174.600 0.153 0.000 1.020 269 S CA 0.382 58.758 58.200 0.293 0.000 0.965 269 S CB -0.549 62.899 63.200 0.414 0.000 0.798 269 S HN 0.484 nan 8.310 nan 0.000 0.488 270 E N 0.572 120.823 120.200 0.084 0.000 2.558 270 E HA 0.306 4.659 4.350 0.005 0.000 0.255 270 E C 0.985 177.555 176.600 -0.050 0.000 0.968 270 E CA 0.534 56.922 56.400 -0.020 0.000 0.939 270 E CB -0.029 29.643 29.700 -0.046 0.000 0.921 270 E HN 0.199 nan 8.360 nan 0.000 0.477 271 G N 3.222 111.968 108.800 -0.089 0.000 2.284 271 G HA2 -0.304 3.659 3.960 0.005 0.000 0.216 271 G HA3 -0.304 3.659 3.960 0.005 0.000 0.216 271 G C 0.737 175.636 174.900 -0.001 0.000 1.009 271 G CA 0.135 45.203 45.100 -0.054 0.000 0.625 271 G HN 0.481 nan 8.290 nan 0.000 0.501 272 L N 0.024 121.282 121.223 0.058 0.000 2.446 272 L HA 0.484 4.827 4.340 0.005 0.000 0.219 272 L C 1.082 178.132 176.870 0.300 0.000 1.116 272 L CA 0.925 55.872 54.840 0.179 0.000 0.844 272 L CB -0.299 41.911 42.059 0.253 0.000 0.970 272 L HN 0.526 nan 8.230 nan 0.000 0.457 273 F N -3.103 116.932 119.950 0.142 0.000 2.711 273 F HA 0.545 5.075 4.527 0.005 0.000 0.313 273 F C 0.049 175.981 175.800 0.220 0.000 1.141 273 F CA -0.946 57.141 58.000 0.145 0.000 0.941 273 F CB 1.270 40.343 39.000 0.123 0.000 1.349 273 F HN -0.369 nan 8.300 nan 0.000 0.464 274 Q N 0.507 120.493 119.800 0.310 0.000 2.580 274 Q HA 0.369 4.712 4.340 0.005 0.000 0.239 274 Q C -0.834 175.376 176.000 0.350 0.000 0.873 274 Q CA 0.532 56.443 55.803 0.180 0.000 0.951 274 Q CB 0.509 29.283 28.738 0.059 0.000 1.172 274 Q HN 0.606 nan 8.270 nan 0.000 0.616 275 K N -0.045 120.538 120.400 0.304 0.000 2.259 275 K HA 0.816 5.140 4.320 0.005 0.000 0.252 275 K C -1.348 175.419 176.600 0.277 0.000 0.936 275 K CA -0.514 55.889 56.287 0.194 0.000 0.810 275 K CB 2.322 34.651 32.500 -0.285 0.000 1.143 275 K HN 0.118 nan 8.250 nan 0.000 0.427 276 A N 2.890 125.888 122.820 0.297 0.000 2.393 276 A HA 0.691 5.015 4.320 0.005 0.000 0.306 276 A C -0.949 176.742 177.584 0.178 0.000 1.050 276 A CA -0.821 51.311 52.037 0.159 0.000 0.724 276 A CB 0.577 19.579 19.000 0.003 0.000 1.248 276 A HN 0.718 nan 8.150 nan 0.000 0.424 277 I N 2.245 122.892 120.570 0.128 0.000 2.354 277 I HA 0.393 4.566 4.170 0.005 0.000 0.292 277 I C -0.814 175.346 176.117 0.071 0.000 0.989 277 I CA -0.233 61.062 61.300 -0.009 0.000 1.188 277 I CB 1.467 39.357 38.000 -0.183 0.000 1.342 277 I HN 0.461 nan 8.210 nan 0.000 0.457 278 I N 6.374 126.957 120.570 0.021 0.000 2.555 278 I HA 0.231 4.404 4.170 0.005 0.000 0.275 278 I C -0.398 175.769 176.117 0.084 0.000 1.082 278 I CA -0.348 60.976 61.300 0.039 0.000 1.167 278 I CB 0.726 38.712 38.000 -0.024 0.000 1.312 278 I HN 0.566 nan 8.210 nan 0.000 0.493 279 Q N 3.635 123.541 119.800 0.178 0.000 2.294 279 Q HA 0.331 4.674 4.340 0.005 0.000 0.257 279 Q C 0.523 176.605 176.000 0.136 0.000 0.955 279 Q CA -0.373 55.575 55.803 0.242 0.000 0.936 279 Q CB 1.383 30.343 28.738 0.370 0.000 1.188 279 Q HN 0.605 nan 8.270 nan 0.000 0.420 280 S N 1.240 116.990 115.700 0.084 0.000 3.884 280 S HA -0.091 4.382 4.470 0.005 0.000 0.374 280 S C -0.046 174.728 174.600 0.291 0.000 0.971 280 S CA 0.403 58.637 58.200 0.057 0.000 1.152 280 S CB -1.315 61.784 63.200 -0.169 0.000 0.877 280 S HN 1.344 nan 8.310 nan 0.000 0.491 281 G N -0.780 108.191 108.800 0.285 0.000 2.354 281 G HA2 0.421 4.384 3.960 0.005 0.000 0.582 281 G HA3 0.421 4.384 3.960 0.005 0.000 0.582 281 G C -0.402 174.586 174.900 0.147 0.000 1.316 281 G CA 0.303 45.587 45.100 0.306 0.000 0.995 281 G HN 1.927 nan 8.290 nan 0.000 0.573 282 T N -3.066 111.543 114.554 0.092 0.000 2.565 282 T HA 0.831 5.185 4.350 0.005 0.000 0.266 282 T C 1.047 175.776 174.700 0.048 0.000 0.905 282 T CA 0.806 62.933 62.100 0.045 0.000 1.122 282 T CB 1.285 70.160 68.868 0.011 0.000 1.437 282 T HN 2.281 nan 8.240 nan 0.000 0.506 283 A N -0.166 122.673 122.820 0.033 0.000 2.465 283 A HA 0.550 4.873 4.320 0.005 0.000 0.255 283 A C 1.400 179.001 177.584 0.027 0.000 1.274 283 A CA -0.342 51.727 52.037 0.053 0.000 0.920 283 A CB -0.628 18.408 19.000 0.060 0.000 1.033 283 A HN 0.656 nan 8.150 nan 0.000 0.516 284 L N -0.680 120.521 121.223 -0.036 0.000 2.731 284 L HA 0.182 4.525 4.340 0.005 0.000 0.240 284 L C 0.408 177.137 176.870 -0.234 0.000 1.120 284 L CA -0.115 54.668 54.840 -0.095 0.000 0.913 284 L CB 0.168 42.167 42.059 -0.099 0.000 1.213 284 L HN 0.124 nan 8.230 nan 0.000 0.515 285 S N 0.917 116.443 115.700 -0.289 0.000 2.558 285 S HA -0.046 4.427 4.470 0.005 0.000 0.288 285 S C 1.523 175.756 174.600 -0.613 0.000 1.318 285 S CA 0.369 58.204 58.200 -0.608 0.000 1.056 285 S CB 1.283 64.107 63.200 -0.627 0.000 0.853 285 S HN 0.462 nan 8.310 nan 0.000 0.505 286 S N 1.458 116.632 115.700 -0.876 0.000 2.420 286 S HA -0.174 4.299 4.470 0.005 0.000 0.237 286 S C 0.912 175.273 174.600 -0.399 0.000 1.023 286 S CA 1.299 59.105 58.200 -0.656 0.000 0.991 286 S CB -0.589 62.156 63.200 -0.757 0.000 0.792 286 S HN 0.950 nan 8.310 nan 0.000 0.488 287 W N 0.569 121.781 121.300 -0.147 0.000 3.015 287 W HA 0.890 5.552 4.660 0.004 0.000 0.429 287 W C 1.152 177.731 176.519 0.100 0.000 0.976 287 W CA -1.284 56.062 57.345 0.001 0.000 2.086 287 W CB -0.758 28.700 29.460 -0.003 0.000 1.125 287 W HN 0.233 nan 8.180 nan 0.000 0.721 288 A N 0.765 123.741 122.820 0.261 0.000 1.887 288 A HA 0.357 4.681 4.320 0.005 0.000 0.210 288 A C 0.697 178.454 177.584 0.289 0.000 1.221 288 A CA 1.333 53.553 52.037 0.306 0.000 0.635 288 A CB -0.519 18.572 19.000 0.152 0.000 0.881 288 A HN 0.256 nan 8.150 nan 0.000 0.456 289 V N -0.582 119.482 119.914 0.249 0.000 2.448 289 V HA 0.532 4.655 4.120 0.005 0.000 0.295 289 V C -0.823 175.470 176.094 0.331 0.000 1.025 289 V CA -1.166 61.270 62.300 0.228 0.000 0.859 289 V CB 1.225 33.186 31.823 0.231 0.000 0.988 289 V HN 0.306 nan 8.190 nan 0.000 0.431 290 N N 2.612 121.427 118.700 0.191 0.000 2.415 290 N HA 0.329 5.072 4.740 0.005 0.000 0.246 290 N C -0.047 175.552 175.510 0.148 0.000 1.078 290 N CA -0.217 52.978 53.050 0.241 0.000 0.942 290 N CB 0.388 38.975 38.487 0.167 0.000 1.140 290 N HN 0.752 nan 8.380 nan 0.000 0.501 291 Y N 1.461 121.807 120.300 0.077 0.000 2.511 291 Y HA 0.147 4.700 4.550 0.005 0.000 0.279 291 Y C 0.350 176.223 175.900 -0.045 0.000 1.157 291 Y CA 0.210 58.321 58.100 0.017 0.000 1.300 291 Y CB 0.630 39.106 38.460 0.027 0.000 1.052 291 Y HN 0.467 nan 8.280 nan 0.000 0.529 292 Q N 0.341 120.159 119.800 0.029 0.000 3.394 292 Q HA 0.147 4.490 4.340 0.005 0.000 0.285 292 Q C -2.209 173.657 176.000 -0.222 0.000 0.866 292 Q CA -1.341 54.376 55.803 -0.145 0.000 0.844 292 Q CB 1.105 29.677 28.738 -0.277 0.000 1.472 292 Q HN 0.069 nan 8.270 nan 0.000 0.401 293 P HA -0.095 nan 4.420 nan 0.000 0.236 293 P C 1.051 178.287 177.300 -0.107 0.000 1.177 293 P CA 0.706 63.752 63.100 -0.090 0.000 0.773 293 P CB 0.439 32.111 31.700 -0.048 0.000 0.878 294 A N 3.119 125.874 122.820 -0.108 0.000 1.870 294 A HA -0.282 4.041 4.320 0.005 0.000 0.219 294 A C 2.339 179.860 177.584 -0.106 0.000 1.286 294 A CA 3.235 55.216 52.037 -0.093 0.000 0.682 294 A CB -1.521 17.424 19.000 -0.093 0.000 0.844 294 A HN 0.386 nan 8.150 nan 0.000 0.460 295 K N -2.478 117.813 120.400 -0.181 0.000 2.062 295 K HA -0.110 4.213 4.320 0.005 0.000 0.205 295 K C 1.702 178.264 176.600 -0.062 0.000 1.051 295 K CA 1.565 57.761 56.287 -0.152 0.000 0.941 295 K CB -0.471 31.899 32.500 -0.216 0.000 0.719 295 K HN 0.441 nan 8.250 nan 0.000 0.440 296 Y N 2.480 122.739 120.300 -0.067 0.000 2.616 296 Y HA 0.009 4.562 4.550 0.005 0.000 0.296 296 Y C 2.030 177.845 175.900 -0.143 0.000 1.154 296 Y CA 0.775 58.818 58.100 -0.095 0.000 1.325 296 Y CB -0.478 37.889 38.460 -0.154 0.000 1.007 296 Y HN 0.163 nan 8.280 nan 0.000 0.542 297 T N -1.133 113.419 114.554 -0.002 0.000 3.009 297 T HA -0.045 4.308 4.350 0.005 0.000 0.258 297 T C 1.993 176.733 174.700 0.066 0.000 1.063 297 T CA 0.673 62.785 62.100 0.021 0.000 1.139 297 T CB 0.041 68.909 68.868 0.001 0.000 0.890 297 T HN 0.033 nan 8.240 nan 0.000 0.471 298 R N 1.787 122.313 120.500 0.043 0.000 2.115 298 R HA 0.152 4.495 4.340 0.005 0.000 0.230 298 R C 1.987 178.328 176.300 0.068 0.000 1.111 298 R CA 1.142 57.267 56.100 0.042 0.000 0.976 298 R CB -1.037 29.272 30.300 0.016 0.000 0.870 298 R HN 0.427 nan 8.270 nan 0.000 0.445 299 I N -0.060 120.573 120.570 0.104 0.000 2.315 299 I HA -0.233 3.940 4.170 0.005 0.000 0.248 299 I C 2.185 178.372 176.117 0.117 0.000 1.117 299 I CA 1.091 62.461 61.300 0.117 0.000 1.404 299 I CB -0.265 37.830 38.000 0.159 0.000 1.071 299 I HN 0.189 nan 8.210 nan 0.000 0.419 300 L N 0.638 121.953 121.223 0.154 0.000 2.131 300 L HA -0.027 4.316 4.340 0.005 0.000 0.206 300 L C 2.685 179.619 176.870 0.106 0.000 1.087 300 L CA 1.289 56.226 54.840 0.162 0.000 0.767 300 L CB -0.284 41.946 42.059 0.286 0.000 0.917 300 L HN 0.155 nan 8.230 nan 0.000 0.441 301 A N 0.099 122.973 122.820 0.089 0.000 1.841 301 A HA -0.292 4.031 4.320 0.005 0.000 0.216 301 A C 1.899 179.505 177.584 0.038 0.000 1.199 301 A CA 2.247 54.314 52.037 0.050 0.000 0.621 301 A CB -1.060 17.961 19.000 0.034 0.000 0.835 301 A HN 0.498 nan 8.150 nan 0.000 0.445 302 D N -0.606 119.817 120.400 0.039 0.000 2.158 302 D HA -0.124 4.519 4.640 0.005 0.000 0.197 302 D C 1.416 177.735 176.300 0.031 0.000 0.995 302 D CA 1.571 55.589 54.000 0.031 0.000 0.846 302 D CB -0.174 40.646 40.800 0.032 0.000 0.941 302 D HN 0.490 nan 8.370 nan 0.000 0.456 303 K N 0.162 120.587 120.400 0.042 0.000 3.226 303 K HA 0.241 4.564 4.320 0.005 0.000 0.268 303 K C -0.433 176.186 176.600 0.031 0.000 1.217 303 K CA 0.009 56.318 56.287 0.036 0.000 1.242 303 K CB 0.008 32.536 32.500 0.046 0.000 1.389 303 K HN -0.151 nan 8.250 nan 0.000 0.406 304 V N -0.129 119.800 119.914 0.025 0.000 4.604 304 V HA 0.094 4.217 4.120 0.005 0.000 0.603 304 V C 0.255 176.356 176.094 0.012 0.000 1.992 304 V CA 0.123 62.434 62.300 0.018 0.000 2.587 304 V CB 0.887 32.725 31.823 0.024 0.000 1.028 304 V HN 0.568 nan 8.190 nan 0.000 0.534 305 G N 0.853 109.660 108.800 0.011 0.000 2.273 305 G HA2 -0.275 3.688 3.960 0.005 0.000 0.280 305 G HA3 -0.275 3.688 3.960 0.005 0.000 0.280 305 G C 0.129 175.031 174.900 0.004 0.000 1.047 305 G CA 0.402 45.506 45.100 0.007 0.000 0.869 305 G HN 0.716 nan 8.290 nan 0.000 0.502 306 c N 0.027 118.630 118.600 0.006 0.000 3.414 306 c HA 0.345 4.919 4.570 0.005 0.000 0.208 306 c C 1.468 175.559 174.090 0.002 0.000 1.422 306 c CA -0.606 55.722 56.329 -0.001 0.000 1.437 306 c CB -0.895 41.611 42.510 -0.007 0.000 1.850 306 c HN 0.613 nan 8.230 nan 0.000 0.481 307 N N 1.357 120.059 118.700 0.003 0.000 2.416 307 N HA -0.002 4.741 4.740 0.005 0.000 0.177 307 N C 1.001 176.511 175.510 0.001 0.000 1.036 307 N CA 0.233 53.286 53.050 0.005 0.000 0.901 307 N CB -0.013 38.478 38.487 0.005 0.000 0.976 307 N HN 0.607 nan 8.380 nan 0.000 0.444 308 M N 0.731 120.329 119.600 -0.002 0.000 2.256 308 M HA -0.109 4.374 4.480 0.005 0.000 0.392 308 M C 0.150 176.448 176.300 -0.004 0.000 1.406 308 M CA 0.942 56.240 55.300 -0.004 0.000 0.861 308 M CB -0.084 32.512 32.600 -0.007 0.000 1.977 308 M HN 0.123 nan 8.290 nan 0.000 0.492 309 L N 3.016 124.237 121.223 -0.003 0.000 3.001 309 L HA 0.284 4.627 4.340 0.005 0.000 0.234 309 L C -0.561 176.306 176.870 -0.005 0.000 1.321 309 L CA 0.242 55.080 54.840 -0.004 0.000 1.138 309 L CB -0.289 41.768 42.059 -0.003 0.000 1.503 309 L HN 0.737 nan 8.230 nan 0.000 0.487 310 D N -1.298 119.098 120.400 -0.006 0.000 2.855 310 D HA 0.132 4.775 4.640 0.005 0.000 0.241 310 D C 1.128 177.423 176.300 -0.007 0.000 1.277 310 D CA 0.028 54.025 54.000 -0.006 0.000 0.918 310 D CB 1.823 42.620 40.800 -0.004 0.000 1.462 310 D HN 0.200 nan 8.370 nan 0.000 0.559 311 T N 0.410 114.961 114.554 -0.006 0.000 2.570 311 T HA -0.248 4.105 4.350 0.005 0.000 0.266 311 T C 1.798 176.493 174.700 -0.009 0.000 1.071 311 T CA 2.402 64.498 62.100 -0.006 0.000 1.172 311 T CB -0.986 67.881 68.868 -0.001 0.000 0.864 311 T HN 0.490 nan 8.240 nan 0.000 0.421 312 T N 0.618 115.170 114.554 -0.003 0.000 2.849 312 T HA -0.141 4.212 4.350 0.005 0.000 0.270 312 T C 1.481 176.174 174.700 -0.012 0.000 1.066 312 T CA 1.582 63.680 62.100 -0.003 0.000 1.130 312 T CB -0.765 68.106 68.868 0.005 0.000 0.864 312 T HN 0.364 nan 8.240 nan 0.000 0.481 313 D N 0.652 121.044 120.400 -0.012 0.000 2.117 313 D HA 0.043 4.686 4.640 0.005 0.000 0.198 313 D C 1.953 178.237 176.300 -0.027 0.000 0.982 313 D CA 0.817 54.808 54.000 -0.015 0.000 0.828 313 D CB -0.311 40.483 40.800 -0.010 0.000 0.967 313 D HN 0.339 nan 8.370 nan 0.000 0.464 314 M N 0.027 119.608 119.600 -0.030 0.000 2.200 314 M HA -0.107 4.376 4.480 0.005 0.000 0.265 314 M C 1.523 177.774 176.300 -0.083 0.000 1.066 314 M CA 0.963 56.237 55.300 -0.043 0.000 1.127 314 M CB 0.227 32.809 32.600 -0.030 0.000 1.379 314 M HN -0.097 nan 8.290 nan 0.000 0.420 315 V N 0.352 120.210 119.914 -0.092 0.000 2.427 315 V HA -0.218 3.905 4.120 0.005 0.000 0.248 315 V C 2.058 178.035 176.094 -0.195 0.000 1.051 315 V CA 1.929 64.125 62.300 -0.172 0.000 1.048 315 V CB -0.775 30.980 31.823 -0.114 0.000 0.666 315 V HN 0.479 nan 8.190 nan 0.000 0.456 316 E N -0.761 119.378 120.200 -0.101 0.000 2.268 316 E HA -0.177 4.177 4.350 0.005 0.000 0.195 316 E C 2.088 178.645 176.600 -0.073 0.000 0.995 316 E CA 1.174 57.532 56.400 -0.071 0.000 0.836 316 E CB -0.549 29.133 29.700 -0.030 0.000 0.763 316 E HN 0.603 nan 8.360 nan 0.000 0.491 317 c N -0.374 118.179 118.600 -0.079 0.000 2.455 317 c HA -0.077 4.496 4.570 0.005 0.000 0.281 317 c C 2.362 176.401 174.090 -0.084 0.000 1.237 317 c CA 0.818 57.110 56.329 -0.062 0.000 1.726 317 c CB -1.135 41.346 42.510 -0.048 0.000 2.068 317 c HN 0.485 nan 8.230 nan 0.000 0.466 318 L N 0.322 121.450 121.223 -0.159 0.000 2.191 318 L HA -0.110 4.233 4.340 0.005 0.000 0.212 318 L C 2.836 179.590 176.870 -0.193 0.000 1.103 318 L CA 1.465 56.191 54.840 -0.190 0.000 0.769 318 L CB -0.932 40.943 42.059 -0.307 0.000 0.908 318 L HN 0.423 nan 8.230 nan 0.000 0.438 319 R N 0.700 121.041 120.500 -0.265 0.000 2.073 319 R HA -0.101 4.242 4.340 0.005 0.000 0.234 319 R C 0.842 177.191 176.300 0.083 0.000 1.134 319 R CA 1.183 57.273 56.100 -0.016 0.000 0.952 319 R CB 0.039 30.328 30.300 -0.019 0.000 0.850 319 R HN 0.240 nan 8.270 nan 0.000 0.433 320 N N 0.985 119.699 118.700 0.023 0.000 3.091 320 N HA 0.029 4.772 4.740 0.005 0.000 0.301 320 N C -0.468 175.065 175.510 0.038 0.000 1.325 320 N CA 0.256 53.329 53.050 0.037 0.000 1.143 320 N CB 0.595 39.094 38.487 0.020 0.000 1.450 320 N HN 0.129 nan 8.380 nan 0.000 0.542 321 K N -0.188 120.250 120.400 0.063 0.000 4.485 321 K HA 0.384 4.707 4.320 0.005 0.000 0.264 321 K C -0.227 176.439 176.600 0.109 0.000 1.023 321 K CA -0.248 56.081 56.287 0.070 0.000 1.902 321 K CB 0.405 32.937 32.500 0.055 0.000 3.087 321 K HN 0.109 nan 8.250 nan 0.000 0.774 322 N N 0.110 118.891 118.700 0.135 0.000 2.446 322 N HA 0.033 4.776 4.740 0.005 0.000 0.272 322 N C 0.208 175.851 175.510 0.220 0.000 1.127 322 N CA -0.087 53.083 53.050 0.200 0.000 0.896 322 N CB 1.113 39.697 38.487 0.161 0.000 1.658 322 N HN 0.291 nan 8.380 nan 0.000 0.483 323 Y N 1.726 122.043 120.300 0.029 0.000 2.516 323 Y HA -0.063 4.490 4.550 0.005 0.000 0.284 323 Y C 0.866 176.768 175.900 0.004 0.000 1.166 323 Y CA 1.124 59.230 58.100 0.010 0.000 1.350 323 Y CB -0.522 37.939 38.460 0.002 0.000 0.967 323 Y HN 0.356 nan 8.280 nan 0.000 0.568 324 K N 0.082 120.273 120.400 -0.349 0.000 2.868 324 K HA 0.114 4.437 4.320 0.005 0.000 0.304 324 K C 1.205 177.712 176.600 -0.155 0.000 1.007 324 K CA 0.264 56.322 56.287 -0.381 0.000 1.123 324 K CB 0.421 32.735 32.500 -0.310 0.000 1.408 324 K HN 0.071 nan 8.250 nan 0.000 0.522 325 E N -0.569 119.551 120.200 -0.134 0.000 4.361 325 E HA -0.348 4.005 4.350 0.005 0.000 0.195 325 E C 1.266 177.823 176.600 -0.072 0.000 1.320 325 E CA 2.562 58.914 56.400 -0.080 0.000 2.239 325 E CB -1.417 28.265 29.700 -0.029 0.000 1.897 325 E HN 0.518 nan 8.360 nan 0.000 0.308 326 L N 0.611 121.810 121.223 -0.040 0.000 2.141 326 L HA -0.055 4.289 4.340 0.005 0.000 0.209 326 L C 2.673 179.497 176.870 -0.076 0.000 1.094 326 L CA 1.521 56.349 54.840 -0.020 0.000 0.763 326 L CB -0.645 41.440 42.059 0.043 0.000 0.908 326 L HN 0.468 nan 8.230 nan 0.000 0.437 327 I N -2.653 117.855 120.570 -0.103 0.000 2.333 327 I HA -0.177 3.996 4.170 0.005 0.000 0.246 327 I C 2.427 178.463 176.117 -0.134 0.000 1.106 327 I CA 0.825 62.053 61.300 -0.120 0.000 1.411 327 I CB -0.587 37.359 38.000 -0.091 0.000 1.082 327 I HN 0.096 nan 8.210 nan 0.000 0.420 328 Q N 1.486 121.162 119.800 -0.208 0.000 2.576 328 Q HA -0.083 4.260 4.340 0.005 0.000 0.218 328 Q C 0.424 176.314 176.000 -0.182 0.000 0.983 328 Q CA 0.823 56.429 55.803 -0.328 0.000 0.920 328 Q CB -0.177 28.360 28.738 -0.336 0.000 0.973 328 Q HN 0.505 nan 8.270 nan 0.000 0.528 329 Q N 0.896 120.634 119.800 -0.103 0.000 2.288 329 Q HA 0.127 4.470 4.340 0.005 0.000 0.258 329 Q C -0.579 175.412 176.000 -0.015 0.000 0.957 329 Q CA 0.172 55.950 55.803 -0.043 0.000 0.919 329 Q CB 1.037 29.769 28.738 -0.009 0.000 1.185 329 Q HN 0.235 nan 8.270 nan 0.000 0.408 330 T N 0.603 115.159 114.554 0.003 0.000 2.738 330 T HA 0.517 4.871 4.350 0.005 0.000 0.294 330 T C 0.277 175.002 174.700 0.042 0.000 0.914 330 T CA -0.527 61.588 62.100 0.024 0.000 1.052 330 T CB -0.346 68.535 68.868 0.021 0.000 0.897 330 T HN 0.261 nan 8.240 nan 0.000 0.522 331 I N 3.376 123.983 120.570 0.061 0.000 2.355 331 I HA 0.261 4.434 4.170 0.005 0.000 0.288 331 I C 0.476 176.599 176.117 0.010 0.000 0.999 331 I CA -0.531 60.814 61.300 0.075 0.000 1.163 331 I CB 1.603 39.722 38.000 0.198 0.000 1.316 331 I HN 0.566 nan 8.210 nan 0.000 0.454 332 T N 6.923 121.463 114.554 -0.024 0.000 2.727 332 T HA 0.400 4.754 4.350 0.005 0.000 0.298 332 T C -2.166 172.435 174.700 -0.165 0.000 0.942 332 T CA -1.221 60.850 62.100 -0.048 0.000 0.997 332 T CB 0.249 69.111 68.868 -0.009 0.000 0.917 332 T HN 0.246 nan 8.240 nan 0.000 0.487 333 P HA 0.340 nan 4.420 nan 0.000 0.271 333 P C -0.540 176.750 177.300 -0.017 0.000 1.244 333 P CA -0.663 62.265 63.100 -0.287 0.000 0.793 333 P CB 0.358 32.009 31.700 -0.081 0.000 0.984 334 A N 0.955 123.849 122.820 0.122 0.000 2.451 334 A HA 0.330 4.653 4.320 0.005 0.000 0.266 334 A C 0.374 178.088 177.584 0.216 0.000 1.119 334 A CA -0.205 51.920 52.037 0.147 0.000 0.786 334 A CB -1.107 17.949 19.000 0.093 0.000 1.061 334 A HN 0.663 nan 8.150 nan 0.000 0.503 335 T N 1.542 116.142 114.554 0.077 0.000 2.517 335 T HA -0.041 4.312 4.350 0.005 0.000 0.229 335 T C -0.112 174.643 174.700 0.091 0.000 1.039 335 T CA 0.973 63.040 62.100 -0.056 0.000 1.186 335 T CB -0.898 67.799 68.868 -0.285 0.000 1.016 335 T HN 1.229 nan 8.240 nan 0.000 0.475 336 Y N -0.023 120.485 120.300 0.347 0.000 3.661 336 Y HA -0.166 4.388 4.550 0.006 0.000 0.224 336 Y C 0.444 176.435 175.900 0.151 0.000 1.342 336 Y CA 0.494 58.827 58.100 0.388 0.000 1.723 336 Y CB -3.054 35.566 38.460 0.268 0.000 1.546 336 Y HN 1.018 nan 8.280 nan 0.000 0.631 337 H N -1.351 117.970 119.070 0.419 0.000 3.038 337 H HA 0.882 5.441 4.556 0.006 0.000 0.289 337 H C 0.100 175.620 175.328 0.321 0.000 1.510 337 H CA -0.539 55.720 56.048 0.351 0.000 1.227 337 H CB 1.237 31.172 29.762 0.288 0.000 1.880 337 H HN 0.059 nan 8.280 nan 0.000 0.594 338 I N -1.184 119.651 120.570 0.443 0.000 2.892 338 I HA 0.713 4.886 4.170 0.005 0.000 0.306 338 I C 0.468 176.717 176.117 0.220 0.000 1.078 338 I CA -1.083 60.398 61.300 0.302 0.000 1.032 338 I CB 2.367 40.567 38.000 0.333 0.000 1.229 338 I HN 0.613 nan 8.210 nan 0.000 0.435 339 A N 2.939 125.818 122.820 0.098 0.000 1.901 339 A HA 0.406 4.729 4.320 0.005 0.000 0.210 339 A C 0.508 178.125 177.584 0.054 0.000 1.208 339 A CA 0.805 52.804 52.037 -0.062 0.000 0.644 339 A CB -0.165 18.815 19.000 -0.035 0.000 0.863 339 A HN 0.585 nan 8.150 nan 0.000 0.454 340 F N -0.678 119.351 119.950 0.132 0.000 2.427 340 F HA 0.613 5.143 4.527 0.005 0.000 0.348 340 F C 0.649 176.469 175.800 0.034 0.000 1.125 340 F CA 0.201 58.300 58.000 0.165 0.000 0.989 340 F CB 2.041 41.153 39.000 0.187 0.000 1.165 340 F HN 0.363 nan 8.300 nan 0.000 0.442 341 G N 2.945 111.812 108.800 0.112 0.000 2.490 341 G HA2 0.465 4.428 3.960 0.005 0.000 0.308 341 G HA3 0.465 4.428 3.960 0.005 0.000 0.308 341 G C -3.393 171.507 174.900 -0.000 0.000 1.286 341 G CA -1.246 43.618 45.100 -0.394 0.000 0.825 341 G HN 0.107 nan 8.290 nan 0.000 0.479 342 P HA 0.361 nan 4.420 nan 0.000 0.266 342 P C -0.113 177.201 177.300 0.023 0.000 1.215 342 P CA -0.123 63.028 63.100 0.085 0.000 0.763 342 P CB 1.088 32.783 31.700 -0.009 0.000 0.806 343 V N 4.815 124.736 119.914 0.013 0.000 2.716 343 V HA 0.277 4.400 4.120 0.005 0.000 0.304 343 V C 0.682 176.704 176.094 -0.121 0.000 1.053 343 V CA -0.800 61.457 62.300 -0.071 0.000 0.984 343 V CB 1.300 33.092 31.823 -0.052 0.000 1.021 343 V HN 0.312 nan 8.190 nan 0.000 0.467 344 I N 4.317 124.770 120.570 -0.195 0.000 2.243 344 I HA 0.136 4.309 4.170 0.005 0.000 0.297 344 I C 1.278 177.314 176.117 -0.135 0.000 1.161 344 I CA -0.263 60.931 61.300 -0.176 0.000 1.298 344 I CB -0.503 37.351 38.000 -0.243 0.000 1.475 344 I HN 0.826 nan 8.210 nan 0.000 0.561 345 D N 3.890 124.220 120.400 -0.117 0.000 2.162 345 D HA -0.032 4.611 4.640 0.005 0.000 0.203 345 D C 1.366 177.613 176.300 -0.088 0.000 0.967 345 D CA 1.432 55.368 54.000 -0.107 0.000 0.840 345 D CB 0.587 41.309 40.800 -0.131 0.000 0.972 345 D HN 0.592 nan 8.370 nan 0.000 0.482 346 G N 0.659 109.408 108.800 -0.085 0.000 2.705 346 G HA2 -0.231 3.732 3.960 0.005 0.000 0.193 346 G HA3 -0.231 3.732 3.960 0.005 0.000 0.193 346 G C 0.552 175.412 174.900 -0.067 0.000 1.015 346 G CA 0.506 45.567 45.100 -0.066 0.000 0.743 346 G HN 0.509 nan 8.290 nan 0.000 0.476 347 D N -0.472 119.875 120.400 -0.089 0.000 2.949 347 D HA 0.340 4.984 4.640 0.005 0.000 0.247 347 D C 2.368 178.588 176.300 -0.133 0.000 1.552 347 D CA 0.945 54.890 54.000 -0.092 0.000 1.231 347 D CB -0.036 40.713 40.800 -0.085 0.000 0.990 347 D HN 0.084 nan 8.370 nan 0.000 0.270 348 V N 0.755 120.495 119.914 -0.289 0.000 2.278 348 V HA -0.129 3.994 4.120 0.005 0.000 0.251 348 V C 0.904 176.915 176.094 -0.138 0.000 1.062 348 V CA 1.178 63.263 62.300 -0.359 0.000 1.038 348 V CB -0.256 31.313 31.823 -0.422 0.000 0.646 348 V HN 0.342 nan 8.190 nan 0.000 0.447 349 I N 0.834 121.338 120.570 -0.110 0.000 2.371 349 I HA 0.208 4.381 4.170 0.005 0.000 0.282 349 I C -1.834 174.254 176.117 -0.049 0.000 1.031 349 I CA -1.459 59.810 61.300 -0.051 0.000 1.180 349 I CB 1.509 39.478 38.000 -0.051 0.000 1.336 349 I HN 0.206 nan 8.210 nan 0.000 0.467 350 P HA 0.048 nan 4.420 nan 0.000 0.220 350 P C 0.162 177.450 177.300 -0.020 0.000 1.154 350 P CA 0.977 64.066 63.100 -0.018 0.000 0.830 350 P CB 0.712 32.418 31.700 0.010 0.000 0.803 351 D N -1.787 118.609 120.400 -0.006 0.000 2.867 351 D HA 0.115 4.758 4.640 0.005 0.000 0.308 351 D C -1.153 175.147 176.300 0.000 0.000 1.202 351 D CA -0.566 53.430 54.000 -0.006 0.000 1.035 351 D CB 0.769 41.575 40.800 0.010 0.000 1.427 351 D HN -0.287 nan 8.370 nan 0.000 0.570 352 D N 0.279 120.693 120.400 0.023 0.000 2.434 352 D HA 0.098 4.741 4.640 0.005 0.000 0.252 352 D C -1.687 174.658 176.300 0.075 0.000 1.185 352 D CA -1.071 52.968 54.000 0.064 0.000 0.886 352 D CB 1.335 42.202 40.800 0.111 0.000 1.148 352 D HN -0.037 nan 8.370 nan 0.000 0.483 353 P HA -0.253 nan 4.420 nan 0.000 0.218 353 P C 1.171 178.523 177.300 0.086 0.000 1.154 353 P CA 1.612 64.763 63.100 0.084 0.000 0.872 353 P CB 0.167 31.916 31.700 0.082 0.000 0.790 354 Q N -0.345 119.504 119.800 0.081 0.000 2.096 354 Q HA -0.150 4.193 4.340 0.005 0.000 0.204 354 Q C 1.928 177.974 176.000 0.078 0.000 0.982 354 Q CA 1.726 57.569 55.803 0.066 0.000 0.850 354 Q CB -1.043 27.720 28.738 0.042 0.000 0.901 354 Q HN 0.224 nan 8.270 nan 0.000 0.422 355 I N -0.490 120.125 120.570 0.074 0.000 2.353 355 I HA -0.207 3.966 4.170 0.005 0.000 0.248 355 I C 2.050 178.215 176.117 0.080 0.000 1.119 355 I CA 0.545 61.886 61.300 0.068 0.000 1.417 355 I CB -0.237 37.794 38.000 0.051 0.000 1.078 355 I HN 0.189 nan 8.210 nan 0.000 0.421 356 L N -0.219 121.059 121.223 0.091 0.000 1.976 356 L HA -0.227 4.116 4.340 0.005 0.000 0.209 356 L C 2.782 179.768 176.870 0.193 0.000 1.071 356 L CA 1.356 56.265 54.840 0.116 0.000 0.746 356 L CB -0.508 41.626 42.059 0.125 0.000 0.890 356 L HN 0.253 nan 8.230 nan 0.000 0.432 357 M N -0.368 119.362 119.600 0.216 0.000 2.073 357 M HA -0.288 4.195 4.480 0.005 0.000 0.258 357 M C 2.110 178.591 176.300 0.302 0.000 1.070 357 M CA 1.736 57.205 55.300 0.282 0.000 1.103 357 M CB -1.142 31.542 32.600 0.141 0.000 1.321 357 M HN 0.271 nan 8.290 nan 0.000 0.405 358 E N 0.019 120.335 120.200 0.194 0.000 2.324 358 E HA -0.282 4.071 4.350 0.005 0.000 0.205 358 E C 1.387 178.124 176.600 0.229 0.000 1.031 358 E CA 2.009 58.516 56.400 0.178 0.000 0.836 358 E CB 0.134 29.900 29.700 0.111 0.000 0.742 358 E HN 0.740 nan 8.360 nan 0.000 0.491 359 Q N -3.633 116.283 119.800 0.194 0.000 1.633 359 Q HA 0.223 4.566 4.340 0.005 0.000 0.145 359 Q C 1.803 177.576 176.000 -0.377 0.000 0.419 359 Q CA 0.030 55.909 55.803 0.127 0.000 0.716 359 Q CB -0.228 28.551 28.738 0.068 0.000 0.787 359 Q HN 0.026 nan 8.270 nan 0.000 0.206 360 G N 1.050 109.631 108.800 -0.365 0.000 2.518 360 G HA2 0.011 3.975 3.960 0.005 0.000 0.213 360 G HA3 0.011 3.975 3.960 0.005 0.000 0.213 360 G C 0.232 174.690 174.900 -0.737 0.000 1.226 360 G CA 0.099 44.812 45.100 -0.645 0.000 0.822 360 G HN 0.274 nan 8.290 nan 0.000 0.546 361 E N 1.248 121.283 120.200 -0.274 0.000 2.127 361 E HA 0.362 4.715 4.350 0.005 0.000 0.262 361 E C -1.026 175.611 176.600 0.062 0.000 1.144 361 E CA -0.299 55.996 56.400 -0.174 0.000 1.144 361 E CB -0.076 29.590 29.700 -0.057 0.000 1.297 361 E HN 0.502 nan 8.360 nan 0.000 0.469 362 F N -1.607 118.318 119.950 -0.042 0.000 2.664 362 F HA 0.465 4.996 4.527 0.006 0.000 0.329 362 F C 0.301 176.097 175.800 -0.006 0.000 1.090 362 F CA -1.399 56.648 58.000 0.079 0.000 0.978 362 F CB 0.472 39.568 39.000 0.159 0.000 1.378 362 F HN -0.182 nan 8.300 nan 0.000 0.495 363 L N 1.318 122.621 121.223 0.133 0.000 2.350 363 L HA 0.240 4.583 4.340 0.005 0.000 0.209 363 L C -0.184 176.583 176.870 -0.171 0.000 1.215 363 L CA 0.244 54.973 54.840 -0.185 0.000 2.667 363 L CB -1.094 40.735 42.059 -0.383 0.000 2.466 363 L HN 0.945 nan 8.230 nan 0.000 1.095 364 N N -1.986 116.531 118.700 -0.306 0.000 2.558 364 N HA 0.338 5.081 4.740 0.005 0.000 0.285 364 N C -1.710 173.690 175.510 -0.183 0.000 1.112 364 N CA -0.483 52.522 53.050 -0.074 0.000 0.857 364 N CB 0.604 39.060 38.487 -0.051 0.000 1.376 364 N HN 0.103 nan 8.380 nan 0.000 0.526 365 Y N 0.247 120.740 120.300 0.322 0.000 2.331 365 Y HA 0.274 4.827 4.550 0.005 0.000 0.338 365 Y C 0.147 176.221 175.900 0.289 0.000 0.992 365 Y CA -0.878 57.392 58.100 0.285 0.000 1.121 365 Y CB 1.144 39.828 38.460 0.374 0.000 1.184 365 Y HN 0.510 nan 8.280 nan 0.000 0.469 366 D N 4.404 125.004 120.400 0.334 0.000 2.376 366 D HA 0.056 4.700 4.640 0.005 0.000 0.278 366 D C -0.507 176.056 176.300 0.437 0.000 1.384 366 D CA 0.834 55.018 54.000 0.307 0.000 1.033 366 D CB 0.056 40.935 40.800 0.131 0.000 1.102 366 D HN 0.474 nan 8.370 nan 0.000 0.530 367 I N 3.448 124.236 120.570 0.363 0.000 2.378 367 I HA 0.254 4.427 4.170 0.005 0.000 0.291 367 I C -0.105 176.023 176.117 0.019 0.000 0.992 367 I CA -0.642 60.769 61.300 0.185 0.000 1.154 367 I CB 1.717 39.632 38.000 -0.141 0.000 1.315 367 I HN 0.089 nan 8.210 nan 0.000 0.448 368 M N 9.161 128.630 119.600 -0.219 0.000 2.125 368 M HA 0.535 5.018 4.480 0.005 0.000 0.321 368 M C -1.654 174.470 176.300 -0.294 0.000 0.983 368 M CA -0.656 54.329 55.300 -0.526 0.000 0.934 368 M CB 1.080 32.811 32.600 -1.448 0.000 1.542 368 M HN 0.497 nan 8.290 nan 0.000 0.424 369 L N 2.430 123.546 121.223 -0.179 0.000 2.350 369 L HA 1.181 5.524 4.340 0.005 0.000 0.260 369 L C -0.851 175.603 176.870 -0.693 0.000 1.015 369 L CA -0.643 54.073 54.840 -0.207 0.000 0.821 369 L CB 2.358 44.349 42.059 -0.113 0.000 1.370 369 L HN 0.724 nan 8.230 nan 0.000 0.416 370 G N 0.615 108.809 108.800 -1.010 0.000 2.556 370 G HA2 0.520 4.483 3.960 0.005 0.000 0.294 370 G HA3 0.520 4.483 3.960 0.005 0.000 0.294 370 G C -1.557 172.695 174.900 -1.081 0.000 1.516 370 G CA -0.052 43.865 45.100 -1.972 0.000 0.824 370 G HN 1.173 nan 8.290 nan 0.000 0.535 371 V N -1.172 118.386 119.914 -0.594 0.000 2.960 371 V HA 0.799 4.922 4.120 0.005 0.000 0.315 371 V C -0.371 175.729 176.094 0.009 0.000 1.087 371 V CA -1.477 60.749 62.300 -0.123 0.000 0.982 371 V CB 1.941 33.827 31.823 0.104 0.000 1.039 371 V HN 0.667 nan 8.190 nan 0.000 0.437 372 N N 1.742 120.463 118.700 0.034 0.000 2.408 372 N HA 0.218 4.961 4.740 0.005 0.000 0.260 372 N C 0.723 176.245 175.510 0.020 0.000 1.242 372 N CA -0.255 52.854 53.050 0.098 0.000 0.959 372 N CB 0.862 39.386 38.487 0.062 0.000 1.201 372 N HN 0.940 nan 8.380 nan 0.000 0.511 373 Q N 0.247 119.997 119.800 -0.083 0.000 1.990 373 Q HA -0.027 4.316 4.340 0.005 0.000 0.200 373 Q C 0.326 176.268 176.000 -0.097 0.000 0.980 373 Q CA 1.386 57.052 55.803 -0.227 0.000 0.832 373 Q CB -0.223 28.073 28.738 -0.737 0.000 0.897 373 Q HN 0.763 nan 8.270 nan 0.000 0.427 374 G N 0.429 109.161 108.800 -0.114 0.000 4.873 374 G HA2 0.120 4.083 3.960 0.005 0.000 0.314 374 G HA3 0.120 4.083 3.960 0.005 0.000 0.314 374 G C 0.212 175.052 174.900 -0.099 0.000 1.426 374 G CA -0.379 44.687 45.100 -0.057 0.000 1.136 374 G HN 0.221 nan 8.290 nan 0.000 0.589 375 E N 1.034 121.090 120.200 -0.239 0.000 2.065 375 E HA -0.186 4.168 4.350 0.005 0.000 0.201 375 E C 2.617 178.996 176.600 -0.368 0.000 1.016 375 E CA 1.511 57.569 56.400 -0.570 0.000 0.818 375 E CB -0.348 28.471 29.700 -1.468 0.000 0.749 375 E HN 0.450 nan 8.360 nan 0.000 0.453 376 G N 2.220 110.981 108.800 -0.064 0.000 2.719 376 G HA2 -0.356 3.607 3.960 0.005 0.000 0.219 376 G HA3 -0.356 3.607 3.960 0.005 0.000 0.219 376 G C 1.464 176.567 174.900 0.337 0.000 1.234 376 G CA 1.754 47.145 45.100 0.484 0.000 0.788 376 G HN 0.316 nan 8.290 nan 0.000 0.619 377 L N 0.044 121.409 121.223 0.237 0.000 3.011 377 L HA -0.398 3.945 4.340 0.005 0.000 0.193 377 L C 2.183 179.183 176.870 0.216 0.000 2.815 377 L CA 3.432 58.400 54.840 0.213 0.000 0.666 377 L CB -1.352 40.761 42.059 0.090 0.000 2.052 377 L HN 0.368 nan 8.230 nan 0.000 0.400 378 K N -1.235 119.279 120.400 0.190 0.000 2.442 378 K HA -0.157 4.166 4.320 0.005 0.000 0.199 378 K C 1.788 178.482 176.600 0.157 0.000 1.044 378 K CA 1.417 57.805 56.287 0.169 0.000 0.941 378 K CB -0.483 32.126 32.500 0.181 0.000 0.759 378 K HN 0.558 nan 8.250 nan 0.000 0.472 379 F N 0.155 120.084 119.950 -0.036 0.000 2.171 379 F HA -0.107 4.423 4.527 0.004 0.000 0.300 379 F C 1.142 176.900 175.800 -0.071 0.000 1.090 379 F CA 1.135 59.000 58.000 -0.225 0.000 1.293 379 F CB -0.035 38.697 39.000 -0.446 0.000 1.013 379 F HN -0.080 nan 8.300 nan 0.000 0.486 380 V N -0.974 118.901 119.914 -0.066 0.000 3.219 380 V HA 0.211 4.335 4.120 0.005 0.000 0.377 380 V C -0.423 175.661 176.094 -0.016 0.000 1.275 380 V CA -0.616 61.615 62.300 -0.114 0.000 1.366 380 V CB -1.508 30.335 31.823 0.034 0.000 1.282 380 V HN -0.055 nan 8.190 nan 0.000 0.487 381 D N 2.034 122.409 120.400 -0.042 0.000 2.425 381 D HA 0.454 5.097 4.640 0.005 0.000 0.247 381 D C 1.459 177.740 176.300 -0.031 0.000 1.147 381 D CA 1.770 55.767 54.000 -0.006 0.000 0.879 381 D CB 1.240 42.024 40.800 -0.027 0.000 1.179 381 D HN 0.495 nan 8.370 nan 0.000 0.456 382 G N 2.739 111.540 108.800 0.001 0.000 2.609 382 G HA2 -0.376 3.588 3.960 0.005 0.000 0.235 382 G HA3 -0.376 3.588 3.960 0.005 0.000 0.235 382 G C 1.202 176.093 174.900 -0.016 0.000 1.177 382 G CA 0.501 45.592 45.100 -0.014 0.000 0.707 382 G HN 0.680 nan 8.290 nan 0.000 0.513 383 I N 0.500 121.048 120.570 -0.036 0.000 3.334 383 I HA 0.418 4.592 4.170 0.005 0.000 0.282 383 I C 0.350 176.448 176.117 -0.031 0.000 1.313 383 I CA -0.054 61.219 61.300 -0.046 0.000 1.396 383 I CB -0.167 37.789 38.000 -0.073 0.000 1.054 383 I HN 0.049 nan 8.210 nan 0.000 0.495 384 V N 3.998 123.916 119.914 0.006 0.000 2.364 384 V HA 0.163 4.287 4.120 0.005 0.000 0.272 384 V C -0.191 175.919 176.094 0.027 0.000 1.036 384 V CA -0.846 61.456 62.300 0.002 0.000 0.880 384 V CB 0.739 32.614 31.823 0.087 0.000 0.991 384 V HN 0.361 nan 8.190 nan 0.000 0.460 385 D N 4.089 124.482 120.400 -0.011 0.000 2.371 385 D HA -0.016 4.627 4.640 0.005 0.000 0.242 385 D C 1.078 177.396 176.300 0.030 0.000 1.218 385 D CA -0.588 53.412 54.000 0.001 0.000 0.945 385 D CB 0.420 41.207 40.800 -0.021 0.000 1.137 385 D HN 0.481 nan 8.370 nan 0.000 0.464 386 N N -0.021 118.696 118.700 0.030 0.000 2.521 386 N HA -0.152 4.591 4.740 0.005 0.000 0.188 386 N C 0.680 176.210 175.510 0.033 0.000 1.146 386 N CA 0.398 53.474 53.050 0.045 0.000 0.893 386 N CB -0.004 38.502 38.487 0.031 0.000 0.975 386 N HN 0.428 nan 8.380 nan 0.000 0.451 387 E N 0.457 120.663 120.200 0.010 0.000 2.021 387 E HA -0.074 4.279 4.350 0.005 0.000 0.189 387 E C -0.045 176.549 176.600 -0.009 0.000 0.980 387 E CA 1.046 57.444 56.400 -0.004 0.000 0.803 387 E CB 0.128 29.814 29.700 -0.024 0.000 0.766 387 E HN 0.327 nan 8.360 nan 0.000 0.449 388 D N -2.824 117.548 120.400 -0.046 0.000 4.398 388 D HA 0.021 4.664 4.640 0.005 0.000 0.135 388 D C -0.124 176.007 176.300 -0.281 0.000 0.416 388 D CA 0.697 54.631 54.000 -0.109 0.000 0.595 388 D CB -0.628 40.121 40.800 -0.084 0.000 1.645 388 D HN 0.211 nan 8.370 nan 0.000 0.054 389 G N -0.439 108.241 108.800 -0.200 0.000 3.042 389 G HA2 0.663 4.626 3.960 0.005 0.000 0.278 389 G HA3 0.663 4.626 3.960 0.005 0.000 0.278 389 G C -0.699 174.108 174.900 -0.156 0.000 1.371 389 G CA -0.517 44.447 45.100 -0.227 0.000 1.009 389 G HN 0.018 nan 8.290 nan 0.000 0.523 390 V N 0.281 120.114 119.914 -0.135 0.000 2.547 390 V HA 0.629 4.752 4.120 0.005 0.000 0.299 390 V C 0.654 176.716 176.094 -0.053 0.000 1.040 390 V CA -0.640 61.619 62.300 -0.069 0.000 0.913 390 V CB 1.262 33.072 31.823 -0.022 0.000 0.992 390 V HN 1.028 nan 8.190 nan 0.000 0.449 391 T N 1.438 115.976 114.554 -0.026 0.000 2.922 391 T HA 0.405 4.759 4.350 0.005 0.000 0.285 391 T C -1.780 172.931 174.700 0.019 0.000 1.005 391 T CA -1.860 60.224 62.100 -0.026 0.000 1.061 391 T CB 1.780 70.632 68.868 -0.026 0.000 1.007 391 T HN 0.450 nan 8.240 nan 0.000 0.502 392 P HA -0.132 nan 4.420 nan 0.000 0.213 392 P C 1.065 178.449 177.300 0.140 0.000 1.170 392 P CA 1.191 64.309 63.100 0.030 0.000 0.898 392 P CB -0.209 31.472 31.700 -0.031 0.000 0.787 393 N N -0.617 118.136 118.700 0.089 0.000 2.482 393 N HA -0.084 4.659 4.740 0.005 0.000 0.220 393 N C 0.512 176.079 175.510 0.094 0.000 1.255 393 N CA 0.568 53.681 53.050 0.105 0.000 0.850 393 N CB -0.845 37.683 38.487 0.069 0.000 1.127 393 N HN 0.218 nan 8.380 nan 0.000 0.475 394 D N -0.978 119.490 120.400 0.113 0.000 2.461 394 D HA 0.031 4.674 4.640 0.005 0.000 0.266 394 D C 0.927 177.325 176.300 0.163 0.000 1.085 394 D CA -0.233 53.826 54.000 0.097 0.000 0.887 394 D CB 0.089 40.905 40.800 0.027 0.000 1.309 394 D HN 0.163 nan 8.370 nan 0.000 0.498 395 F N 2.539 122.504 119.950 0.025 0.000 2.126 395 F HA -0.207 4.323 4.527 0.005 0.000 0.299 395 F C 1.576 177.424 175.800 0.081 0.000 1.096 395 F CA 1.733 59.752 58.000 0.032 0.000 1.255 395 F CB 0.100 39.098 39.000 -0.004 0.000 0.997 395 F HN -0.187 nan 8.300 nan 0.000 0.479 396 D N -0.162 120.354 120.400 0.194 0.000 2.103 396 D HA -0.182 4.462 4.640 0.005 0.000 0.199 396 D C 2.002 178.351 176.300 0.082 0.000 0.978 396 D CA 1.343 55.403 54.000 0.101 0.000 0.829 396 D CB -0.858 40.059 40.800 0.196 0.000 0.981 396 D HN 0.368 nan 8.370 nan 0.000 0.464 397 F N 0.756 120.709 119.950 0.006 0.000 2.333 397 F HA -0.143 4.386 4.527 0.005 0.000 0.300 397 F C 2.375 178.168 175.800 -0.012 0.000 1.083 397 F CA 0.754 58.755 58.000 0.001 0.000 1.395 397 F CB 0.184 39.184 39.000 -0.000 0.000 1.056 397 F HN -0.151 nan 8.300 nan 0.000 0.529 398 S N -0.889 114.865 115.700 0.089 0.000 2.348 398 S HA -0.104 4.369 4.470 0.005 0.000 0.219 398 S C 2.155 176.793 174.600 0.063 0.000 1.033 398 S CA 1.207 59.419 58.200 0.019 0.000 0.974 398 S CB -0.611 62.536 63.200 -0.090 0.000 0.868 398 S HN 0.132 nan 8.310 nan 0.000 0.459 399 V N 1.306 121.182 119.914 -0.063 0.000 2.324 399 V HA -0.113 4.010 4.120 0.005 0.000 0.250 399 V C 2.528 178.673 176.094 0.084 0.000 1.060 399 V CA 2.205 64.503 62.300 -0.004 0.000 1.042 399 V CB -0.672 31.064 31.823 -0.145 0.000 0.650 399 V HN 0.572 nan 8.190 nan 0.000 0.450 400 S N -0.888 114.794 115.700 -0.030 0.000 2.593 400 S HA 0.063 4.536 4.470 0.005 0.000 0.217 400 S C 1.188 175.677 174.600 -0.185 0.000 0.966 400 S CA 0.060 58.205 58.200 -0.093 0.000 0.914 400 S CB -0.394 62.721 63.200 -0.143 0.000 0.776 400 S HN 0.630 nan 8.310 nan 0.000 0.523 401 N N 0.439 119.043 118.700 -0.159 0.000 2.453 401 N HA 0.213 4.957 4.740 0.005 0.000 0.270 401 N C -0.362 175.261 175.510 0.188 0.000 1.195 401 N CA 0.015 53.013 53.050 -0.086 0.000 0.902 401 N CB 0.513 38.896 38.487 -0.173 0.000 1.186 401 N HN 0.429 nan 8.380 nan 0.000 0.510 402 F N 0.069 120.042 119.950 0.038 0.000 2.102 402 F HA 0.033 4.564 4.527 0.006 0.000 0.254 402 F C 1.982 177.756 175.800 -0.043 0.000 0.975 402 F CA 0.074 58.132 58.000 0.097 0.000 1.176 402 F CB -0.546 38.522 39.000 0.114 0.000 1.358 402 F HN -0.141 nan 8.300 nan 0.000 0.728 403 V N -0.586 119.318 119.914 -0.016 0.000 2.380 403 V HA -0.235 3.888 4.120 0.005 0.000 0.251 403 V C 1.904 177.925 176.094 -0.122 0.000 1.063 403 V CA 2.605 64.797 62.300 -0.180 0.000 1.055 403 V CB -1.119 30.690 31.823 -0.023 0.000 0.657 403 V HN 0.505 nan 8.190 nan 0.000 0.455 404 D N 0.992 121.346 120.400 -0.076 0.000 2.117 404 D HA -0.116 4.528 4.640 0.005 0.000 0.198 404 D C 1.833 178.083 176.300 -0.084 0.000 0.982 404 D CA 2.021 55.975 54.000 -0.078 0.000 0.828 404 D CB -0.226 40.516 40.800 -0.096 0.000 0.967 404 D HN 0.613 nan 8.370 nan 0.000 0.464 405 N N -0.604 118.053 118.700 -0.071 0.000 2.083 405 N HA 0.025 4.768 4.740 0.005 0.000 0.190 405 N C 1.851 177.353 175.510 -0.012 0.000 1.047 405 N CA 0.898 53.923 53.050 -0.042 0.000 0.845 405 N CB -0.251 38.234 38.487 -0.004 0.000 1.025 405 N HN 0.144 nan 8.380 nan 0.000 0.428 406 L N -0.768 120.413 121.223 -0.069 0.000 2.027 406 L HA -0.065 4.278 4.340 0.005 0.000 0.206 406 L C 0.435 177.458 176.870 0.254 0.000 1.074 406 L CA 1.042 55.907 54.840 0.043 0.000 0.745 406 L CB -0.304 41.614 42.059 -0.235 0.000 0.898 406 L HN 0.314 nan 8.230 nan 0.000 0.433 407 Y N 0.515 120.702 120.300 -0.189 0.000 2.827 407 Y HA 0.310 4.864 4.550 0.005 0.000 0.373 407 Y C 1.075 176.911 175.900 -0.108 0.000 1.198 407 Y CA -1.160 56.880 58.100 -0.101 0.000 1.589 407 Y CB -0.105 38.323 38.460 -0.054 0.000 1.682 407 Y HN 0.026 nan 8.280 nan 0.000 0.506 408 G N -0.705 108.056 108.800 -0.065 0.000 2.527 408 G HA2 0.211 4.174 3.960 0.005 0.000 0.248 408 G HA3 0.211 4.174 3.960 0.005 0.000 0.248 408 G C -0.594 174.139 174.900 -0.279 0.000 1.231 408 G CA 0.294 45.216 45.100 -0.297 0.000 0.838 408 G HN 0.748 nan 8.290 nan 0.000 0.570 409 Y N -1.978 118.333 120.300 0.017 0.000 3.727 409 Y HA -0.203 4.350 4.550 0.005 0.000 0.378 409 Y C -0.267 175.630 175.900 -0.005 0.000 1.331 409 Y CA 0.709 58.807 58.100 -0.003 0.000 1.791 409 Y CB -1.962 36.485 38.460 -0.022 0.000 0.843 409 Y HN 0.631 nan 8.280 nan 0.000 0.410 410 P HA -0.023 nan 4.420 nan 0.000 0.244 410 P C 0.332 177.673 177.300 0.068 0.000 1.211 410 P CA 0.941 64.103 63.100 0.103 0.000 0.760 410 P CB 0.101 31.884 31.700 0.137 0.000 0.961 411 E N 0.674 120.914 120.200 0.067 0.000 2.422 411 E HA -0.142 4.212 4.350 0.005 0.000 0.199 411 E C 1.597 178.234 176.600 0.063 0.000 1.428 411 E CA 0.707 57.143 56.400 0.059 0.000 1.109 411 E CB -1.259 28.469 29.700 0.046 0.000 1.107 411 E HN 0.424 nan 8.360 nan 0.000 0.689 412 G N 1.740 110.593 108.800 0.087 0.000 2.547 412 G HA2 -0.289 3.675 3.960 0.005 0.000 0.214 412 G HA3 -0.289 3.675 3.960 0.005 0.000 0.214 412 G C 1.123 176.081 174.900 0.097 0.000 1.254 412 G CA 1.244 46.407 45.100 0.104 0.000 0.817 412 G HN 0.448 nan 8.290 nan 0.000 0.551 413 K N 0.863 121.335 120.400 0.119 0.000 4.389 413 K HA -0.476 3.847 4.320 0.005 0.000 0.336 413 K C 1.668 178.326 176.600 0.097 0.000 0.673 413 K CA 3.036 59.393 56.287 0.118 0.000 1.208 413 K CB -2.042 30.517 32.500 0.098 0.000 0.819 413 K HN 0.428 nan 8.250 nan 0.000 0.767 414 D N 0.713 121.158 120.400 0.075 0.000 4.047 414 D HA -0.374 4.269 4.640 0.005 0.000 0.199 414 D C 1.709 178.057 176.300 0.080 0.000 1.319 414 D CA 3.619 57.660 54.000 0.069 0.000 0.865 414 D CB -1.695 39.139 40.800 0.057 0.000 0.911 414 D HN 0.794 nan 8.370 nan 0.000 0.579 415 T N -0.464 114.138 114.554 0.079 0.000 2.597 415 T HA -0.306 4.047 4.350 0.005 0.000 0.267 415 T C 2.022 176.784 174.700 0.103 0.000 1.053 415 T CA 1.787 63.934 62.100 0.079 0.000 1.165 415 T CB -1.074 67.835 68.868 0.069 0.000 0.863 415 T HN 0.303 nan 8.240 nan 0.000 0.427 416 L N 1.643 122.939 121.223 0.121 0.000 1.991 416 L HA -0.261 4.082 4.340 0.005 0.000 0.221 416 L C 2.873 179.834 176.870 0.151 0.000 1.079 416 L CA 2.710 57.642 54.840 0.153 0.000 0.778 416 L CB -0.584 41.578 42.059 0.171 0.000 0.893 416 L HN 0.328 nan 8.230 nan 0.000 0.437 417 R N -0.590 119.982 120.500 0.121 0.000 2.097 417 R HA -0.272 4.071 4.340 0.005 0.000 0.236 417 R C 2.285 178.658 176.300 0.122 0.000 1.135 417 R CA 2.203 58.370 56.100 0.111 0.000 0.934 417 R CB -0.499 29.848 30.300 0.079 0.000 0.846 417 R HN 0.485 nan 8.270 nan 0.000 0.431 418 E N -0.732 119.540 120.200 0.120 0.000 2.268 418 E HA -0.084 4.269 4.350 0.005 0.000 0.195 418 E C 1.505 178.213 176.600 0.180 0.000 0.995 418 E CA 1.519 58.007 56.400 0.146 0.000 0.836 418 E CB 0.136 29.908 29.700 0.120 0.000 0.763 418 E HN 0.405 nan 8.360 nan 0.000 0.491 419 T N 0.194 114.843 114.554 0.159 0.000 2.735 419 T HA -0.035 4.318 4.350 0.005 0.000 0.256 419 T C 1.792 176.582 174.700 0.149 0.000 1.042 419 T CA 0.973 63.184 62.100 0.186 0.000 1.147 419 T CB -0.218 68.764 68.868 0.191 0.000 0.865 419 T HN 0.125 nan 8.240 nan 0.000 0.421 420 I N 1.839 122.484 120.570 0.124 0.000 2.103 420 I HA -0.370 3.803 4.170 0.005 0.000 0.241 420 I C 2.587 178.657 176.117 -0.077 0.000 1.036 420 I CA 2.094 63.377 61.300 -0.029 0.000 1.300 420 I CB -0.436 37.650 38.000 0.143 0.000 1.010 420 I HN 0.424 nan 8.210 nan 0.000 0.406 421 K N 0.396 120.847 120.400 0.085 0.000 2.366 421 K HA -0.166 4.157 4.320 0.005 0.000 0.198 421 K C 2.161 178.946 176.600 0.308 0.000 1.044 421 K CA 1.054 57.452 56.287 0.185 0.000 0.973 421 K CB -0.489 32.109 32.500 0.163 0.000 0.767 421 K HN 0.290 nan 8.250 nan 0.000 0.475 422 F N 1.800 121.857 119.950 0.179 0.000 2.146 422 F HA -0.043 4.488 4.527 0.007 0.000 0.298 422 F C 2.069 178.000 175.800 0.219 0.000 1.096 422 F CA 1.106 59.282 58.000 0.293 0.000 1.275 422 F CB -0.027 39.068 39.000 0.157 0.000 1.008 422 F HN -0.098 nan 8.300 nan 0.000 0.480 423 M N -0.598 118.874 119.600 -0.214 0.000 2.117 423 M HA -0.182 4.302 4.480 0.005 0.000 0.262 423 M C 0.954 177.018 176.300 -0.393 0.000 1.065 423 M CA 1.479 56.435 55.300 -0.574 0.000 1.114 423 M CB -1.285 30.614 32.600 -1.169 0.000 1.361 423 M HN 0.184 nan 8.290 nan 0.000 0.408 424 Y N 0.587 120.791 120.300 -0.160 0.000 2.746 424 Y HA 0.222 4.776 4.550 0.007 0.000 0.312 424 Y C 0.515 176.415 175.900 0.001 0.000 1.117 424 Y CA -1.036 57.033 58.100 -0.052 0.000 1.324 424 Y CB -0.997 37.473 38.460 0.017 0.000 1.173 424 Y HN 0.079 nan 8.280 nan 0.000 0.529 425 T N -3.188 111.338 114.554 -0.046 0.000 2.856 425 T HA 0.324 4.677 4.350 0.005 0.000 0.283 425 T C -0.849 173.507 174.700 -0.573 0.000 1.008 425 T CA -0.978 60.866 62.100 -0.427 0.000 0.997 425 T CB 2.538 70.942 68.868 -0.773 0.000 0.992 425 T HN -0.014 nan 8.240 nan 0.000 0.454 426 D N 1.042 121.153 120.400 -0.481 0.000 2.339 426 D HA 0.236 4.880 4.640 0.005 0.000 0.241 426 D C -0.445 175.644 176.300 -0.351 0.000 1.183 426 D CA -0.814 53.022 54.000 -0.274 0.000 0.859 426 D CB 0.393 41.097 40.800 -0.161 0.000 1.067 426 D HN 0.649 nan 8.370 nan 0.000 0.484 427 W N 3.191 124.435 121.300 -0.094 0.000 3.377 427 W HA 0.285 4.949 4.660 0.006 0.000 0.277 427 W C 1.598 178.095 176.519 -0.036 0.000 1.311 427 W CA -0.182 57.127 57.345 -0.060 0.000 1.703 427 W CB -0.076 29.361 29.460 -0.038 0.000 1.095 427 W HN 0.546 nan 8.180 nan 0.000 0.715 428 A N -0.413 122.454 122.820 0.079 0.000 1.887 428 A HA -0.001 4.322 4.320 0.005 0.000 0.210 428 A C 0.991 178.571 177.584 -0.008 0.000 1.221 428 A CA 0.848 52.912 52.037 0.044 0.000 0.635 428 A CB -0.153 18.866 19.000 0.032 0.000 0.881 428 A HN -0.080 nan 8.150 nan 0.000 0.456 429 D N -0.259 120.106 120.400 -0.058 0.000 2.970 429 D HA 0.199 4.842 4.640 0.005 0.000 0.282 429 D C 0.941 177.143 176.300 -0.162 0.000 1.291 429 D CA -0.049 53.897 54.000 -0.090 0.000 0.967 429 D CB 0.793 41.541 40.800 -0.087 0.000 1.017 429 D HN 0.459 nan 8.370 nan 0.000 0.512 430 K N 0.447 120.748 120.400 -0.165 0.000 2.113 430 K HA -0.237 4.086 4.320 0.005 0.000 0.208 430 K C 1.217 177.659 176.600 -0.263 0.000 1.047 430 K CA 1.503 57.627 56.287 -0.272 0.000 0.928 430 K CB 0.473 32.867 32.500 -0.177 0.000 0.716 430 K HN -0.027 nan 8.250 nan 0.000 0.446 431 E N 0.785 120.881 120.200 -0.173 0.000 2.021 431 E HA -0.048 4.305 4.350 0.005 0.000 0.191 431 E C -0.052 176.449 176.600 -0.165 0.000 0.971 431 E CA 0.521 56.827 56.400 -0.156 0.000 0.825 431 E CB -0.341 29.298 29.700 -0.101 0.000 0.788 431 E HN 0.331 nan 8.360 nan 0.000 0.460 432 N N 1.988 120.611 118.700 -0.129 0.000 2.524 432 N HA -0.146 4.597 4.740 0.005 0.000 0.329 432 N C -2.011 173.409 175.510 -0.151 0.000 1.153 432 N CA 0.130 53.107 53.050 -0.122 0.000 0.804 432 N CB 0.529 38.952 38.487 -0.107 0.000 1.031 432 N HN 0.045 nan 8.380 nan 0.000 0.574 433 P HA -0.076 nan 4.420 nan 0.000 0.233 433 P C 0.432 177.628 177.300 -0.174 0.000 1.167 433 P CA 0.958 63.964 63.100 -0.156 0.000 0.770 433 P CB 0.321 31.945 31.700 -0.127 0.000 0.837 434 E N -0.160 119.941 120.200 -0.165 0.000 2.072 434 E HA -0.079 4.274 4.350 0.005 0.000 0.190 434 E C 1.854 178.347 176.600 -0.179 0.000 0.982 434 E CA 1.337 57.619 56.400 -0.196 0.000 0.803 434 E CB -0.660 28.948 29.700 -0.153 0.000 0.755 434 E HN 0.205 nan 8.360 nan 0.000 0.453 435 T N 1.058 115.524 114.554 -0.147 0.000 2.720 435 T HA -0.155 4.198 4.350 0.005 0.000 0.268 435 T C 1.831 176.437 174.700 -0.156 0.000 1.037 435 T CA 0.993 63.011 62.100 -0.135 0.000 1.144 435 T CB -0.136 68.653 68.868 -0.131 0.000 0.864 435 T HN 0.080 nan 8.240 nan 0.000 0.444 436 R N 0.504 120.885 120.500 -0.198 0.000 2.193 436 R HA 0.003 4.346 4.340 0.005 0.000 0.229 436 R C 2.667 178.915 176.300 -0.086 0.000 1.110 436 R CA 0.784 56.760 56.100 -0.208 0.000 0.988 436 R CB -0.119 29.986 30.300 -0.324 0.000 0.871 436 R HN 0.320 nan 8.270 nan 0.000 0.458 437 R N 1.174 121.585 120.500 -0.149 0.000 2.073 437 R HA -0.103 4.241 4.340 0.005 0.000 0.229 437 R C 1.619 177.843 176.300 -0.126 0.000 1.120 437 R CA 1.390 57.381 56.100 -0.182 0.000 0.967 437 R CB 0.043 30.097 30.300 -0.409 0.000 0.862 437 R HN 0.054 nan 8.270 nan 0.000 0.436 438 K N 0.050 120.373 120.400 -0.128 0.000 2.097 438 K HA -0.105 4.218 4.320 0.005 0.000 0.206 438 K C 2.151 178.736 176.600 -0.026 0.000 1.049 438 K CA 2.026 58.277 56.287 -0.060 0.000 0.933 438 K CB -0.202 32.267 32.500 -0.052 0.000 0.717 438 K HN 0.432 nan 8.250 nan 0.000 0.442 439 T N 0.206 114.743 114.554 -0.028 0.000 2.746 439 T HA -0.133 4.220 4.350 0.005 0.000 0.267 439 T C 1.864 176.566 174.700 0.002 0.000 1.039 439 T CA 0.727 62.808 62.100 -0.032 0.000 1.142 439 T CB -0.241 68.655 68.868 0.047 0.000 0.866 439 T HN -0.085 nan 8.240 nan 0.000 0.444 440 L N 1.152 122.457 121.223 0.136 0.000 1.970 440 L HA 0.019 4.362 4.340 0.005 0.000 0.212 440 L C 3.007 180.026 176.870 0.249 0.000 1.071 440 L CA 1.227 56.201 54.840 0.224 0.000 0.751 440 L CB -1.195 41.004 42.059 0.233 0.000 0.889 440 L HN 0.185 nan 8.230 nan 0.000 0.432 441 V N -0.317 119.735 119.914 0.230 0.000 2.332 441 V HA -0.304 3.819 4.120 0.005 0.000 0.248 441 V C 2.692 178.873 176.094 0.145 0.000 1.055 441 V CA 1.534 63.996 62.300 0.271 0.000 1.038 441 V CB -1.113 30.851 31.823 0.235 0.000 0.651 441 V HN 0.545 nan 8.190 nan 0.000 0.450 442 A N -0.316 122.514 122.820 0.018 0.000 1.978 442 A HA -0.220 4.103 4.320 0.005 0.000 0.220 442 A C 2.167 179.613 177.584 -0.229 0.000 1.170 442 A CA 2.199 54.178 52.037 -0.097 0.000 0.636 442 A CB -0.501 18.396 19.000 -0.173 0.000 0.810 442 A HN 0.547 nan 8.150 nan 0.000 0.448 443 L N -1.902 119.116 121.223 -0.342 0.000 1.921 443 L HA -0.142 4.201 4.340 0.005 0.000 0.219 443 L C 2.263 179.115 176.870 -0.031 0.000 1.081 443 L CA 2.486 57.202 54.840 -0.206 0.000 0.771 443 L CB -0.623 41.399 42.059 -0.062 0.000 0.888 443 L HN 0.325 nan 8.230 nan 0.000 0.433 444 F N 0.827 120.538 119.950 -0.400 0.000 2.085 444 F HA -0.350 4.180 4.527 0.004 0.000 0.299 444 F C 2.465 178.316 175.800 0.085 0.000 1.096 444 F CA 2.479 60.231 58.000 -0.413 0.000 1.227 444 F CB -0.960 37.633 39.000 -0.678 0.000 0.983 444 F HN 0.231 nan 8.300 nan 0.000 0.482 445 T N -0.137 114.630 114.554 0.355 0.000 2.665 445 T HA -0.244 4.109 4.350 0.005 0.000 0.268 445 T C 1.536 176.440 174.700 0.340 0.000 1.035 445 T CA 1.765 64.126 62.100 0.434 0.000 1.151 445 T CB -0.483 68.507 68.868 0.203 0.000 0.862 445 T HN 0.251 nan 8.240 nan 0.000 0.438 446 D N 0.014 120.531 120.400 0.195 0.000 2.092 446 D HA -0.111 4.532 4.640 0.005 0.000 0.193 446 D C 1.870 178.197 176.300 0.044 0.000 0.994 446 D CA 1.075 55.208 54.000 0.220 0.000 0.828 446 D CB -0.511 40.565 40.800 0.459 0.000 0.963 446 D HN 0.449 nan 8.370 nan 0.000 0.450 447 H N 0.113 118.991 119.070 -0.321 0.000 2.547 447 H HA 0.056 4.615 4.556 0.005 0.000 0.272 447 H C 0.961 175.845 175.328 -0.739 0.000 0.989 447 H CA 0.816 56.374 56.048 -0.816 0.000 1.214 447 H CB 0.556 29.629 29.762 -1.149 0.000 1.389 447 H HN 0.095 nan 8.280 nan 0.000 0.577 448 Q N -1.640 117.738 119.800 -0.704 0.000 2.245 448 Q HA 0.045 4.388 4.340 0.005 0.000 0.236 448 Q C 1.199 176.586 176.000 -1.021 0.000 0.842 448 Q CA 0.053 55.131 55.803 -1.208 0.000 0.945 448 Q CB 0.871 28.422 28.738 -1.978 0.000 1.122 448 Q HN 0.567 nan 8.270 nan 0.000 0.506 449 W N -1.181 120.025 121.300 -0.158 0.000 4.853 449 W HA 0.123 4.788 4.660 0.008 0.000 0.186 449 W C 1.639 178.163 176.519 0.009 0.000 1.039 449 W CA 0.024 57.353 57.345 -0.026 0.000 1.894 449 W CB -0.097 29.400 29.460 0.062 0.000 0.673 449 W HN -0.196 nan 8.180 nan 0.000 1.004 450 V N 1.730 121.826 119.914 0.304 0.000 2.229 450 V HA -0.237 3.886 4.120 0.005 0.000 0.243 450 V C 2.550 178.736 176.094 0.154 0.000 1.042 450 V CA 2.977 65.429 62.300 0.253 0.000 1.000 450 V CB -1.541 30.406 31.823 0.206 0.000 0.637 450 V HN 0.102 nan 8.190 nan 0.000 0.446 451 A N 1.131 124.013 122.820 0.103 0.000 1.892 451 A HA -0.163 4.161 4.320 0.005 0.000 0.218 451 A C 0.761 178.353 177.584 0.013 0.000 1.188 451 A CA 2.446 54.535 52.037 0.087 0.000 0.631 451 A CB -2.042 17.012 19.000 0.090 0.000 0.822 451 A HN 0.601 nan 8.150 nan 0.000 0.447 452 P HA -0.043 nan 4.420 nan 0.000 0.216 452 P C 1.381 178.687 177.300 0.009 0.000 1.153 452 P CA 1.753 64.808 63.100 -0.075 0.000 0.844 452 P CB -0.225 31.366 31.700 -0.181 0.000 0.787 453 A N -0.450 122.411 122.820 0.068 0.000 2.248 453 A HA 0.019 4.342 4.320 0.005 0.000 0.210 453 A C 2.172 179.835 177.584 0.132 0.000 1.174 453 A CA 0.898 53.019 52.037 0.141 0.000 0.750 453 A CB -1.242 17.891 19.000 0.222 0.000 0.780 453 A HN 0.073 nan 8.150 nan 0.000 0.478 454 V N -0.711 119.224 119.914 0.036 0.000 2.685 454 V HA 0.156 4.279 4.120 0.005 0.000 0.244 454 V C 1.664 177.758 176.094 -0.001 0.000 1.054 454 V CA 0.843 63.089 62.300 -0.091 0.000 1.076 454 V CB -0.663 31.137 31.823 -0.039 0.000 0.725 454 V HN 0.578 nan 8.190 nan 0.000 0.467 455 A N -0.570 122.279 122.820 0.048 0.000 2.313 455 A HA 0.469 4.792 4.320 0.005 0.000 0.261 455 A C 1.289 178.917 177.584 0.072 0.000 1.090 455 A CA 0.875 52.957 52.037 0.076 0.000 0.807 455 A CB 0.319 19.360 19.000 0.068 0.000 1.055 455 A HN 0.474 nan 8.150 nan 0.000 0.492 456 T N -0.299 114.318 114.554 0.106 0.000 13.498 456 T HA -0.338 4.015 4.350 0.005 0.000 0.418 456 T C 1.768 176.557 174.700 0.147 0.000 1.449 456 T CA 2.522 64.692 62.100 0.118 0.000 2.365 456 T CB -1.888 67.017 68.868 0.062 0.000 2.783 456 T HN 1.931 nan 8.240 nan 0.000 0.534 457 A N 1.343 124.206 122.820 0.071 0.000 1.933 457 A HA -0.077 4.246 4.320 0.005 0.000 0.218 457 A C 1.895 179.583 177.584 0.174 0.000 1.175 457 A CA 2.647 54.690 52.037 0.010 0.000 0.628 457 A CB -0.618 18.191 19.000 -0.319 0.000 0.814 457 A HN 0.669 nan 8.150 nan 0.000 0.444 458 D N -0.148 120.377 120.400 0.208 0.000 2.103 458 D HA -0.046 4.598 4.640 0.005 0.000 0.199 458 D C 1.904 178.341 176.300 0.228 0.000 0.978 458 D CA 0.943 55.112 54.000 0.282 0.000 0.829 458 D CB -0.256 40.662 40.800 0.197 0.000 0.981 458 D HN 0.416 nan 8.370 nan 0.000 0.464 459 L N -0.092 121.269 121.223 0.231 0.000 2.201 459 L HA -0.114 4.229 4.340 0.005 0.000 0.212 459 L C 2.392 179.502 176.870 0.400 0.000 1.105 459 L CA 0.862 55.875 54.840 0.289 0.000 0.775 459 L CB -0.280 41.961 42.059 0.304 0.000 0.913 459 L HN 0.207 nan 8.230 nan 0.000 0.440 460 H N -0.490 118.732 119.070 0.254 0.000 2.363 460 H HA -0.029 4.530 4.556 0.006 0.000 0.301 460 H C 2.276 177.785 175.328 0.301 0.000 1.074 460 H CA 1.262 57.495 56.048 0.309 0.000 1.354 460 H CB 0.276 30.131 29.762 0.156 0.000 1.397 460 H HN 0.353 nan 8.280 nan 0.000 0.516 461 A N 1.064 124.089 122.820 0.342 0.000 1.883 461 A HA -0.285 4.038 4.320 0.005 0.000 0.217 461 A C 2.336 179.990 177.584 0.115 0.000 1.186 461 A CA 2.047 54.211 52.037 0.210 0.000 0.624 461 A CB -0.765 18.340 19.000 0.176 0.000 0.822 461 A HN 0.412 nan 8.150 nan 0.000 0.444 462 Q N -1.294 118.540 119.800 0.056 0.000 2.156 462 Q HA -0.199 4.144 4.340 0.005 0.000 0.211 462 Q C -0.313 175.504 176.000 -0.304 0.000 0.995 462 Q CA 1.798 57.488 55.803 -0.187 0.000 0.877 462 Q CB -0.311 28.231 28.738 -0.328 0.000 0.920 462 Q HN 0.714 nan 8.270 nan 0.000 0.416 463 Y N -0.812 119.558 120.300 0.116 0.000 2.960 463 Y HA 0.436 4.989 4.550 0.005 0.000 0.343 463 Y C 1.073 177.011 175.900 0.064 0.000 1.106 463 Y CA -0.182 57.941 58.100 0.039 0.000 1.221 463 Y CB 0.832 39.245 38.460 -0.079 0.000 1.232 463 Y HN 0.278 nan 8.280 nan 0.000 0.577 464 G N 0.397 109.289 108.800 0.154 0.000 3.639 464 G HA2 -0.370 3.594 3.960 0.005 0.000 0.224 464 G HA3 -0.370 3.594 3.960 0.005 0.000 0.224 464 G C 0.675 175.668 174.900 0.155 0.000 1.339 464 G CA 0.392 45.565 45.100 0.122 0.000 0.933 464 G HN 0.453 nan 8.290 nan 0.000 0.568 465 S N 3.806 119.653 115.700 0.244 0.000 2.642 465 S HA 0.353 4.826 4.470 0.005 0.000 0.308 465 S C -2.009 172.734 174.600 0.239 0.000 1.255 465 S CA 0.305 58.688 58.200 0.306 0.000 1.057 465 S CB 0.910 64.444 63.200 0.556 0.000 0.785 465 S HN 0.475 nan 8.310 nan 0.000 0.500 466 P HA 0.278 nan 4.420 nan 0.000 0.281 466 P C -0.839 176.562 177.300 0.169 0.000 1.252 466 P CA -0.267 62.915 63.100 0.137 0.000 0.778 466 P CB 0.713 32.516 31.700 0.171 0.000 0.895 467 T N 3.434 118.022 114.554 0.057 0.000 2.847 467 T HA 0.408 4.761 4.350 0.005 0.000 0.291 467 T C -0.918 173.758 174.700 -0.041 0.000 0.998 467 T CA -0.173 61.986 62.100 0.099 0.000 0.967 467 T CB 0.126 69.121 68.868 0.211 0.000 0.954 467 T HN 0.127 nan 8.240 nan 0.000 0.441 468 Y N 2.065 122.315 120.300 -0.084 0.000 2.387 468 Y HA 0.695 5.248 4.550 0.005 0.000 0.336 468 Y C -0.407 175.533 175.900 0.067 0.000 1.067 468 Y CA -1.051 56.914 58.100 -0.225 0.000 1.114 468 Y CB 1.397 39.312 38.460 -0.909 0.000 1.208 468 Y HN 0.636 nan 8.280 nan 0.000 0.458 469 F N 4.067 124.321 119.950 0.506 0.000 2.576 469 F HA 0.582 5.112 4.527 0.005 0.000 0.313 469 F C -1.561 174.715 175.800 0.793 0.000 1.078 469 F CA -1.192 57.090 58.000 0.470 0.000 0.921 469 F CB 1.447 40.491 39.000 0.074 0.000 1.232 469 F HN 0.416 nan 8.300 nan 0.000 0.459 470 Y N 2.677 122.921 120.300 -0.093 0.000 2.470 470 Y HA 0.842 5.394 4.550 0.005 0.000 0.341 470 Y C -1.744 174.055 175.900 -0.170 0.000 1.021 470 Y CA -1.727 56.383 58.100 0.016 0.000 1.025 470 Y CB 1.039 39.592 38.460 0.155 0.000 1.266 470 Y HN 0.774 nan 8.280 nan 0.000 0.448 471 A N 4.756 127.632 122.820 0.092 0.000 2.273 471 A HA 0.599 4.922 4.320 0.005 0.000 0.315 471 A C -1.823 175.882 177.584 0.202 0.000 1.256 471 A CA -0.505 51.468 52.037 -0.106 0.000 0.851 471 A CB 0.008 18.560 19.000 -0.746 0.000 1.172 471 A HN 0.690 nan 8.150 nan 0.000 0.508 472 F N 2.752 122.816 119.950 0.191 0.000 2.445 472 F HA 0.426 4.959 4.527 0.011 0.000 0.359 472 F C 0.331 176.219 175.800 0.147 0.000 1.101 472 F CA 0.085 58.184 58.000 0.165 0.000 1.177 472 F CB 0.590 39.690 39.000 0.168 0.000 1.110 472 F HN 0.700 nan 8.300 nan 0.000 0.522 473 Y N 2.176 122.193 120.300 -0.471 0.000 2.535 473 Y HA 0.063 4.614 4.550 0.001 0.000 0.264 473 Y C 0.611 176.322 175.900 -0.314 0.000 1.087 473 Y CA -0.287 57.629 58.100 -0.306 0.000 1.285 473 Y CB 0.151 38.443 38.460 -0.280 0.000 1.200 473 Y HN 0.561 nan 8.280 nan 0.000 0.514 474 H N 0.562 119.260 119.070 -0.621 0.000 2.505 474 H HA 0.360 4.916 4.556 0.000 0.000 0.351 474 H C -0.761 174.291 175.328 -0.460 0.000 1.151 474 H CA -0.326 55.398 56.048 -0.540 0.000 1.339 474 H CB 0.511 29.903 29.762 -0.616 0.000 1.483 474 H HN 0.277 nan 8.280 nan 0.000 0.558 475 H N 0.165 118.603 119.070 -1.053 0.000 3.046 475 H HA 0.215 4.778 4.556 0.012 0.000 0.361 475 H C 0.395 175.510 175.328 -0.356 0.000 1.235 475 H CA -0.535 55.214 56.048 -0.499 0.000 1.146 475 H CB 0.178 29.831 29.762 -0.182 0.000 1.859 475 H HN 0.714 nan 8.280 nan 0.000 0.548 476 c N 0.908 119.643 118.600 0.224 0.000 2.562 476 c HA 0.161 4.735 4.570 0.005 0.000 0.266 476 c C 0.736 174.853 174.090 0.045 0.000 1.382 476 c CA 0.575 57.053 56.329 0.249 0.000 1.742 476 c CB -1.391 41.361 42.510 0.402 0.000 1.812 476 c HN 1.068 nan 8.230 nan 0.000 0.559 477 Q N 1.024 120.899 119.800 0.125 0.000 3.158 477 Q HA -0.135 4.209 4.340 0.005 0.000 0.037 477 Q C -0.306 175.686 176.000 -0.014 0.000 1.668 477 Q CA 1.249 57.094 55.803 0.070 0.000 0.277 477 Q CB -0.638 28.064 28.738 -0.061 0.000 0.584 477 Q HN 1.375 nan 8.270 nan 0.000 0.322 478 S N 1.896 117.586 115.700 -0.017 0.000 2.671 478 S HA 0.543 5.016 4.470 0.005 0.000 0.270 478 S C -1.017 173.551 174.600 -0.052 0.000 1.166 478 S CA -0.592 57.575 58.200 -0.055 0.000 0.868 478 S CB 0.737 63.888 63.200 -0.083 0.000 1.190 478 S HN 0.623 nan 8.310 nan 0.000 0.494 479 E N 0.038 120.204 120.200 -0.058 0.000 2.428 479 E HA 0.531 4.885 4.350 0.005 0.000 0.257 479 E C -0.339 176.224 176.600 -0.061 0.000 1.197 479 E CA 0.079 56.443 56.400 -0.060 0.000 0.974 479 E CB -0.068 29.600 29.700 -0.053 0.000 0.976 479 E HN 0.660 nan 8.360 nan 0.000 0.463 480 M N 2.072 121.630 119.600 -0.069 0.000 4.019 480 M HA -0.263 4.220 4.480 0.005 0.000 0.157 480 M C -1.091 175.162 176.300 -0.078 0.000 1.528 480 M CA 1.288 56.546 55.300 -0.070 0.000 1.089 480 M CB -0.730 31.839 32.600 -0.052 0.000 1.344 480 M HN 0.537 nan 8.290 nan 0.000 0.223 481 K N 2.703 123.028 120.400 -0.126 0.000 2.181 481 K HA -0.042 4.282 4.320 0.005 0.000 1.038 481 K C -2.682 173.763 176.600 -0.258 0.000 0.943 481 K CA -0.248 55.925 56.287 -0.191 0.000 0.927 481 K CB -0.145 32.268 32.500 -0.145 0.000 3.432 481 K HN 0.392 nan 8.250 nan 0.000 0.113 482 P HA 0.026 nan 4.420 nan 0.000 0.271 482 P C 0.485 177.503 177.300 -0.470 0.000 1.233 482 P CA -0.176 62.596 63.100 -0.547 0.000 0.795 482 P CB 0.524 31.566 31.700 -1.097 0.000 0.936 483 S N -0.583 114.906 115.700 -0.351 0.000 2.453 483 S HA -0.063 4.410 4.470 0.005 0.000 0.231 483 S C 1.382 175.962 174.600 -0.034 0.000 1.005 483 S CA 0.618 58.743 58.200 -0.126 0.000 0.949 483 S CB -0.457 62.732 63.200 -0.019 0.000 0.774 483 S HN 0.665 nan 8.310 nan 0.000 0.510 484 W N 1.480 122.796 121.300 0.027 0.000 2.812 484 W HA 0.513 5.174 4.660 0.001 0.000 0.263 484 W C 0.538 177.071 176.519 0.023 0.000 1.284 484 W CA -0.182 57.179 57.345 0.027 0.000 1.430 484 W CB -0.673 28.795 29.460 0.014 0.000 1.088 484 W HN 0.099 nan 8.180 nan 0.000 0.623 485 A N 3.220 125.935 122.820 -0.174 0.000 2.566 485 A HA 0.045 4.368 4.320 0.005 0.000 0.245 485 A C -0.240 177.321 177.584 -0.038 0.000 1.056 485 A CA 0.594 52.560 52.037 -0.120 0.000 0.757 485 A CB -0.301 18.444 19.000 -0.425 0.000 0.979 485 A HN 0.301 nan 8.150 nan 0.000 0.508 486 D N 1.177 121.601 120.400 0.040 0.000 2.393 486 D HA 0.276 4.919 4.640 0.005 0.000 0.246 486 D C 0.770 176.894 176.300 -0.293 0.000 1.275 486 D CA 0.406 54.395 54.000 -0.018 0.000 0.979 486 D CB 0.316 41.105 40.800 -0.018 0.000 1.101 486 D HN 0.517 nan 8.370 nan 0.000 0.505 487 S N -0.086 115.501 115.700 -0.188 0.000 2.589 487 S HA 0.305 4.778 4.470 0.005 0.000 0.306 487 S C -0.154 174.348 174.600 -0.162 0.000 1.221 487 S CA -0.684 57.380 58.200 -0.225 0.000 1.159 487 S CB -0.835 62.369 63.200 0.007 0.000 0.990 487 S HN 0.443 nan 8.310 nan 0.000 0.514 488 A N 4.179 126.889 122.820 -0.183 0.000 2.246 488 A HA 0.423 4.746 4.320 0.005 0.000 0.291 488 A C 0.105 177.668 177.584 -0.035 0.000 1.103 488 A CA -0.593 51.385 52.037 -0.098 0.000 0.844 488 A CB -0.131 18.820 19.000 -0.082 0.000 1.136 488 A HN 1.032 nan 8.150 nan 0.000 0.500 489 H N -0.915 118.042 119.070 -0.188 0.000 3.064 489 H HA 0.305 4.864 4.556 0.005 0.000 0.329 489 H C 1.438 176.763 175.328 -0.006 0.000 1.020 489 H CA 1.523 57.450 56.048 -0.202 0.000 1.402 489 H CB 0.266 29.873 29.762 -0.258 0.000 1.379 489 H HN 1.457 nan 8.280 nan 0.000 0.594 490 G N 4.170 112.954 108.800 -0.025 0.000 2.162 490 G HA2 -0.317 3.646 3.960 0.005 0.000 0.260 490 G HA3 -0.317 3.646 3.960 0.005 0.000 0.260 490 G C 0.885 176.037 174.900 0.420 0.000 0.976 490 G CA 0.480 45.767 45.100 0.312 0.000 0.655 490 G HN 0.750 nan 8.290 nan 0.000 0.533 491 D N 0.691 121.253 120.400 0.270 0.000 2.347 491 D HA -0.010 4.633 4.640 0.005 0.000 0.215 491 D C 2.386 178.876 176.300 0.316 0.000 0.976 491 D CA 1.015 55.201 54.000 0.311 0.000 0.884 491 D CB 0.009 40.957 40.800 0.246 0.000 0.915 491 D HN 0.753 nan 8.370 nan 0.000 0.526 492 E N 1.250 121.512 120.200 0.103 0.000 2.208 492 E HA -0.102 4.251 4.350 0.005 0.000 0.193 492 E C 2.029 178.538 176.600 -0.151 0.000 0.988 492 E CA 0.491 56.678 56.400 -0.355 0.000 0.828 492 E CB -0.561 28.821 29.700 -0.530 0.000 0.763 492 E HN 0.076 nan 8.360 nan 0.000 0.478 493 V N 2.993 122.967 119.914 0.100 0.000 2.220 493 V HA -0.193 3.930 4.120 0.005 0.000 0.246 493 V C -0.240 175.879 176.094 0.042 0.000 1.049 493 V CA 2.699 65.096 62.300 0.161 0.000 1.003 493 V CB -1.839 30.145 31.823 0.268 0.000 0.634 493 V HN 0.307 nan 8.190 nan 0.000 0.444 494 P HA -0.156 nan 4.420 nan 0.000 0.222 494 P C 1.284 178.354 177.300 -0.383 0.000 1.147 494 P CA 1.608 64.416 63.100 -0.487 0.000 0.790 494 P CB -0.131 31.236 31.700 -0.554 0.000 0.780 495 Y N -0.699 119.491 120.300 -0.184 0.000 2.337 495 Y HA -0.060 4.491 4.550 0.002 0.000 0.293 495 Y C 2.613 178.294 175.900 -0.365 0.000 1.123 495 Y CA 0.588 58.563 58.100 -0.209 0.000 1.201 495 Y CB -0.887 37.568 38.460 -0.008 0.000 1.011 495 Y HN -0.239 nan 8.280 nan 0.000 0.545 496 V N -1.228 118.491 119.914 -0.325 0.000 2.871 496 V HA -0.213 3.910 4.120 0.005 0.000 0.256 496 V C 1.083 176.838 176.094 -0.566 0.000 1.082 496 V CA 1.643 63.572 62.300 -0.618 0.000 1.105 496 V CB -0.393 30.982 31.823 -0.747 0.000 0.713 496 V HN 0.325 nan 8.190 nan 0.000 0.473 497 F N -0.298 119.461 119.950 -0.319 0.000 2.704 497 F HA 0.451 4.980 4.527 0.004 0.000 0.304 497 F C 1.707 177.301 175.800 -0.344 0.000 1.094 497 F CA 0.689 58.502 58.000 -0.311 0.000 1.275 497 F CB 0.603 39.366 39.000 -0.396 0.000 1.073 497 F HN 0.193 nan 8.300 nan 0.000 0.586 498 G N 0.761 109.403 108.800 -0.264 0.000 2.132 498 G HA2 -0.266 3.697 3.960 0.005 0.000 0.228 498 G HA3 -0.266 3.697 3.960 0.005 0.000 0.228 498 G C 1.049 175.688 174.900 -0.436 0.000 1.000 498 G CA 0.345 45.235 45.100 -0.349 0.000 0.693 498 G HN 0.375 nan 8.290 nan 0.000 0.515 499 I N 0.104 120.356 120.570 -0.529 0.000 2.454 499 I HA -0.071 4.102 4.170 0.005 0.000 0.254 499 I C -0.718 174.961 176.117 -0.730 0.000 1.156 499 I CA 0.814 61.785 61.300 -0.548 0.000 1.433 499 I CB -0.840 36.812 38.000 -0.580 0.000 1.082 499 I HN 0.083 nan 8.210 nan 0.000 0.432 500 P HA -0.004 nan 4.420 nan 0.000 0.285 500 P C 0.207 177.155 177.300 -0.587 0.000 1.521 500 P CA 1.108 63.519 63.100 -1.149 0.000 0.792 500 P CB -0.341 30.653 31.700 -1.178 0.000 1.613 501 M N -0.559 118.776 119.600 -0.441 0.000 3.181 501 M HA 0.334 4.818 4.480 0.005 0.000 0.422 501 M C -0.329 175.847 176.300 -0.206 0.000 1.481 501 M CA 0.122 55.243 55.300 -0.297 0.000 0.783 501 M CB 1.181 33.596 32.600 -0.310 0.000 1.437 501 M HN -0.100 nan 8.290 nan 0.000 0.505 502 I N -0.385 120.074 120.570 -0.184 0.000 2.728 502 I HA 0.217 4.391 4.170 0.005 0.000 0.286 502 I C -0.045 176.048 176.117 -0.040 0.000 1.623 502 I CA -0.534 60.703 61.300 -0.106 0.000 1.048 502 I CB 1.975 39.902 38.000 -0.121 0.000 1.474 502 I HN 0.294 nan 8.210 nan 0.000 0.439 503 G N 7.150 115.949 108.800 -0.001 0.000 2.661 503 G HA2 0.318 4.282 3.960 0.005 0.000 0.292 503 G HA3 0.318 4.282 3.960 0.005 0.000 0.292 503 G C -1.615 173.329 174.900 0.073 0.000 0.781 503 G CA -0.410 44.715 45.100 0.041 0.000 1.860 503 G HN 0.514 nan 8.290 nan 0.000 0.512 504 P HA -0.240 nan 4.420 nan 0.000 0.253 504 P C 0.690 178.067 177.300 0.129 0.000 0.953 504 P CA 1.660 64.883 63.100 0.206 0.000 1.112 504 P CB -0.060 31.689 31.700 0.081 0.000 0.750 505 T N -4.330 110.292 114.554 0.113 0.000 2.800 505 T HA 0.274 4.627 4.350 0.005 0.000 0.327 505 T C -1.144 173.613 174.700 0.095 0.000 1.838 505 T CA -0.695 61.474 62.100 0.115 0.000 1.024 505 T CB 0.208 69.181 68.868 0.176 0.000 1.755 505 T HN 0.177 nan 8.240 nan 0.000 0.507 506 E N 0.652 120.901 120.200 0.082 0.000 2.451 506 E HA 0.533 4.886 4.350 0.005 0.000 0.256 506 E C 1.085 177.736 176.600 0.086 0.000 1.294 506 E CA 0.682 57.120 56.400 0.064 0.000 1.005 506 E CB 0.075 29.805 29.700 0.050 0.000 0.990 506 E HN 0.663 nan 8.360 nan 0.000 0.505 507 L N -1.493 119.756 121.223 0.044 0.000 3.519 507 L HA -0.323 4.020 4.340 0.005 0.000 0.056 507 L C 0.624 177.271 176.870 -0.372 0.000 4.396 507 L CA 2.091 56.864 54.840 -0.112 0.000 0.548 507 L CB -1.281 40.637 42.059 -0.236 0.000 3.530 507 L HN 0.630 nan 8.230 nan 0.000 0.816 508 F N 0.988 120.908 119.950 -0.051 0.000 2.753 508 F HA 0.377 4.906 4.527 0.004 0.000 0.314 508 F C 0.825 176.563 175.800 -0.103 0.000 1.215 508 F CA 0.010 57.952 58.000 -0.096 0.000 1.243 508 F CB -0.107 38.824 39.000 -0.115 0.000 1.400 508 F HN 0.058 nan 8.300 nan 0.000 0.548 509 S N 0.513 116.216 115.700 0.004 0.000 3.517 509 S HA 0.366 4.839 4.470 0.005 0.000 0.284 509 S C -0.064 174.457 174.600 -0.132 0.000 1.260 509 S CA -0.825 57.344 58.200 -0.052 0.000 0.975 509 S CB -0.881 62.298 63.200 -0.035 0.000 1.540 509 S HN 0.468 nan 8.310 nan 0.000 0.506 510 c N 1.156 119.577 118.600 -0.298 0.000 2.626 510 c HA 0.596 5.169 4.570 0.005 0.000 0.310 510 c C 0.040 173.773 174.090 -0.596 0.000 1.191 510 c CA -1.280 54.798 56.329 -0.419 0.000 1.517 510 c CB 0.820 43.071 42.510 -0.431 0.000 2.102 510 c HN 0.632 nan 8.230 nan 0.000 0.479 511 N N 1.722 120.222 118.700 -0.332 0.000 2.400 511 N HA 0.231 4.974 4.740 0.005 0.000 0.267 511 N C -0.917 174.481 175.510 -0.187 0.000 1.208 511 N CA 0.051 52.975 53.050 -0.210 0.000 0.951 511 N CB -0.159 38.269 38.487 -0.098 0.000 1.227 511 N HN 0.616 nan 8.380 nan 0.000 0.488 512 F N 0.990 120.932 119.950 -0.015 0.000 2.389 512 F HA 0.184 4.712 4.527 0.001 0.000 0.337 512 F C 1.549 177.340 175.800 -0.016 0.000 1.112 512 F CA -0.481 57.505 58.000 -0.024 0.000 1.192 512 F CB 0.876 39.831 39.000 -0.075 0.000 1.185 512 F HN 0.324 nan 8.300 nan 0.000 0.552 513 S N 2.085 117.924 115.700 0.230 0.000 2.718 513 S HA 0.432 4.905 4.470 0.005 0.000 0.292 513 S C 0.867 175.504 174.600 0.061 0.000 1.125 513 S CA -0.627 57.641 58.200 0.113 0.000 1.013 513 S CB 1.282 64.540 63.200 0.096 0.000 1.192 513 S HN 0.587 nan 8.310 nan 0.000 0.535 514 K N 0.524 120.937 120.400 0.022 0.000 2.167 514 K HA 0.083 4.407 4.320 0.005 0.000 0.203 514 K C 1.852 178.434 176.600 -0.030 0.000 1.052 514 K CA 1.164 57.442 56.287 -0.015 0.000 0.956 514 K CB -0.322 32.167 32.500 -0.017 0.000 0.735 514 K HN 0.438 nan 8.250 nan 0.000 0.451 515 N N 1.529 120.220 118.700 -0.014 0.000 2.058 515 N HA -0.160 4.584 4.740 0.005 0.000 0.191 515 N C 1.146 176.634 175.510 -0.037 0.000 1.037 515 N CA 1.478 54.501 53.050 -0.046 0.000 0.848 515 N CB -0.539 37.913 38.487 -0.059 0.000 1.021 515 N HN 0.150 nan 8.380 nan 0.000 0.422 516 D N 0.698 121.138 120.400 0.066 0.000 2.149 516 D HA -0.135 4.509 4.640 0.005 0.000 0.194 516 D C 2.050 178.309 176.300 -0.068 0.000 1.001 516 D CA 0.882 54.986 54.000 0.172 0.000 0.849 516 D CB -0.531 40.435 40.800 0.277 0.000 0.939 516 D HN 0.103 nan 8.370 nan 0.000 0.449 517 V N 0.971 120.796 119.914 -0.147 0.000 2.237 517 V HA -0.270 3.853 4.120 0.005 0.000 0.245 517 V C 2.602 178.594 176.094 -0.171 0.000 1.046 517 V CA 1.811 63.979 62.300 -0.220 0.000 1.007 517 V CB -0.598 31.115 31.823 -0.184 0.000 0.638 517 V HN 0.108 nan 8.190 nan 0.000 0.445 518 M N -0.662 118.866 119.600 -0.119 0.000 2.202 518 M HA -0.160 4.323 4.480 0.005 0.000 0.262 518 M C 1.959 178.193 176.300 -0.110 0.000 1.063 518 M CA 1.755 56.991 55.300 -0.106 0.000 1.097 518 M CB -0.178 32.370 32.600 -0.087 0.000 1.382 518 M HN 0.382 nan 8.290 nan 0.000 0.413 519 L N -1.254 119.908 121.223 -0.101 0.000 2.023 519 L HA -0.107 4.236 4.340 0.005 0.000 0.205 519 L C 2.429 179.268 176.870 -0.052 0.000 1.073 519 L CA 1.912 56.693 54.840 -0.099 0.000 0.745 519 L CB -0.876 41.114 42.059 -0.115 0.000 0.900 519 L HN 0.266 nan 8.230 nan 0.000 0.435 520 S N -0.613 115.086 115.700 -0.002 0.000 2.374 520 S HA -0.274 4.199 4.470 0.005 0.000 0.227 520 S C 2.173 176.689 174.600 -0.140 0.000 1.037 520 S CA 1.448 59.599 58.200 -0.081 0.000 1.024 520 S CB -0.565 62.477 63.200 -0.263 0.000 0.861 520 S HN 0.664 nan 8.310 nan 0.000 0.456 521 A N 0.548 123.269 122.820 -0.164 0.000 1.892 521 A HA -0.089 4.234 4.320 0.005 0.000 0.218 521 A C 2.355 179.965 177.584 0.042 0.000 1.188 521 A CA 2.072 54.074 52.037 -0.059 0.000 0.631 521 A CB -1.119 17.840 19.000 -0.069 0.000 0.822 521 A HN 0.469 nan 8.150 nan 0.000 0.447 522 V N -0.608 119.248 119.914 -0.096 0.000 2.427 522 V HA -0.189 3.934 4.120 0.005 0.000 0.248 522 V C 2.557 178.454 176.094 -0.328 0.000 1.051 522 V CA 1.753 63.904 62.300 -0.248 0.000 1.048 522 V CB -0.425 31.184 31.823 -0.357 0.000 0.666 522 V HN 0.390 nan 8.190 nan 0.000 0.456 523 V N -0.478 119.311 119.914 -0.208 0.000 2.244 523 V HA -0.310 3.813 4.120 0.005 0.000 0.244 523 V C 2.344 178.405 176.094 -0.055 0.000 1.042 523 V CA 2.443 64.620 62.300 -0.204 0.000 1.006 523 V CB -0.544 31.102 31.823 -0.294 0.000 0.641 523 V HN 0.433 nan 8.190 nan 0.000 0.446 524 M N -0.374 119.211 119.600 -0.024 0.000 2.213 524 M HA -0.165 4.319 4.480 0.005 0.000 0.263 524 M C 2.161 178.571 176.300 0.183 0.000 1.062 524 M CA 1.873 57.229 55.300 0.092 0.000 1.105 524 M CB -0.698 32.019 32.600 0.195 0.000 1.385 524 M HN 0.407 nan 8.290 nan 0.000 0.417 525 T N -0.573 114.089 114.554 0.181 0.000 2.777 525 T HA -0.129 4.225 4.350 0.005 0.000 0.266 525 T C 1.517 176.410 174.700 0.322 0.000 1.040 525 T CA 1.125 63.313 62.100 0.148 0.000 1.141 525 T CB -0.275 68.665 68.868 0.121 0.000 0.868 525 T HN 0.253 nan 8.240 nan 0.000 0.444 526 Y N -0.186 120.248 120.300 0.223 0.000 2.242 526 Y HA 0.021 4.576 4.550 0.007 0.000 0.291 526 Y C 2.244 178.337 175.900 0.320 0.000 1.137 526 Y CA -0.406 57.883 58.100 0.315 0.000 1.181 526 Y CB -0.748 38.030 38.460 0.530 0.000 0.989 526 Y HN 0.355 nan 8.280 nan 0.000 0.527 527 W N 0.167 121.549 121.300 0.137 0.000 2.379 527 W HA -0.205 4.459 4.660 0.007 0.000 0.307 527 W C 2.111 178.622 176.519 -0.013 0.000 1.200 527 W CA 1.795 59.140 57.345 0.000 0.000 1.297 527 W CB -0.425 28.959 29.460 -0.127 0.000 1.140 527 W HN 0.028 nan 8.180 nan 0.000 0.507 528 T N 0.227 114.892 114.554 0.186 0.000 2.612 528 T HA -0.217 4.137 4.350 0.005 0.000 0.259 528 T C 1.408 176.114 174.700 0.011 0.000 1.065 528 T CA 1.502 63.626 62.100 0.040 0.000 1.167 528 T CB -0.906 67.961 68.868 -0.001 0.000 0.863 528 T HN 0.182 nan 8.240 nan 0.000 0.407 529 N N 0.371 119.093 118.700 0.037 0.000 2.182 529 N HA -0.178 4.565 4.740 0.005 0.000 0.192 529 N C 1.666 177.154 175.510 -0.037 0.000 1.007 529 N CA 1.277 54.328 53.050 0.000 0.000 0.873 529 N CB -0.289 38.218 38.487 0.033 0.000 0.998 529 N HN 0.276 nan 8.380 nan 0.000 0.436 530 F N 1.692 121.522 119.950 -0.199 0.000 2.146 530 F HA 0.001 4.532 4.527 0.006 0.000 0.298 530 F C 2.306 177.971 175.800 -0.225 0.000 1.096 530 F CA 1.100 58.916 58.000 -0.306 0.000 1.275 530 F CB -0.430 38.305 39.000 -0.441 0.000 1.008 530 F HN -0.067 nan 8.300 nan 0.000 0.480 531 A N 0.337 122.960 122.820 -0.327 0.000 1.968 531 A HA -0.096 4.227 4.320 0.005 0.000 0.217 531 A C 2.258 179.686 177.584 -0.260 0.000 1.169 531 A CA 1.292 53.105 52.037 -0.373 0.000 0.638 531 A CB -0.527 18.343 19.000 -0.218 0.000 0.812 531 A HN 0.419 nan 8.150 nan 0.000 0.446 532 K N -0.514 119.781 120.400 -0.175 0.000 2.025 532 K HA -0.050 4.273 4.320 0.005 0.000 0.207 532 K C 1.639 178.158 176.600 -0.135 0.000 1.049 532 K CA 1.666 57.882 56.287 -0.119 0.000 0.933 532 K CB -0.217 32.237 32.500 -0.076 0.000 0.714 532 K HN 0.716 nan 8.250 nan 0.000 0.438 533 T N -3.535 110.919 114.554 -0.166 0.000 2.482 533 T HA 0.405 4.758 4.350 0.005 0.000 0.211 533 T C 0.747 175.305 174.700 -0.236 0.000 0.922 533 T CA -0.235 61.774 62.100 -0.152 0.000 1.141 533 T CB 1.111 69.921 68.868 -0.098 0.000 2.503 533 T HN 0.081 nan 8.240 nan 0.000 0.487 534 G N 0.581 109.288 108.800 -0.156 0.000 4.917 534 G HA2 0.481 4.444 3.960 0.005 0.000 0.244 534 G HA3 0.481 4.444 3.960 0.005 0.000 0.244 534 G C -1.043 173.848 174.900 -0.016 0.000 1.072 534 G CA -0.178 44.849 45.100 -0.120 0.000 0.850 534 G HN 0.708 nan 8.290 nan 0.000 0.559 535 D N 0.536 120.845 120.400 -0.152 0.000 2.229 535 D HA 0.125 4.768 4.640 0.005 0.000 0.209 535 D C -2.029 174.086 176.300 -0.307 0.000 1.295 535 D CA -0.810 52.982 54.000 -0.346 0.000 0.913 535 D CB 2.179 42.927 40.800 -0.087 0.000 1.581 535 D HN 0.006 nan 8.370 nan 0.000 0.502 536 P HA -0.157 nan 4.420 nan 0.000 0.219 536 P C 0.929 178.139 177.300 -0.150 0.000 1.144 536 P CA 0.944 63.880 63.100 -0.273 0.000 0.806 536 P CB 0.465 31.882 31.700 -0.472 0.000 0.771 537 N N -0.597 117.993 118.700 -0.183 0.000 2.251 537 N HA -0.110 4.633 4.740 0.005 0.000 0.181 537 N C 1.917 177.422 175.510 -0.007 0.000 1.019 537 N CA 0.854 53.868 53.050 -0.061 0.000 0.862 537 N CB -0.261 38.210 38.487 -0.026 0.000 0.992 537 N HN 0.108 nan 8.380 nan 0.000 0.429 538 Q N 1.336 121.118 119.800 -0.031 0.000 2.061 538 Q HA 0.132 4.476 4.340 0.005 0.000 0.195 538 Q C -1.431 174.562 176.000 -0.011 0.000 0.967 538 Q CA 0.812 56.608 55.803 -0.012 0.000 0.829 538 Q CB -1.222 27.507 28.738 -0.015 0.000 0.900 538 Q HN 0.355 nan 8.270 nan 0.000 0.450 556 E N -0.684 119.565 120.200 0.082 0.000 2.431 556 E HA 0.623 4.976 4.350 0.005 0.000 0.240 556 E C -1.051 175.626 176.600 0.128 0.000 0.867 556 E CA -0.949 55.519 56.400 0.114 0.000 0.888 556 E CB 2.190 32.012 29.700 0.203 0.000 1.739 556 E HN -0.007 nan 8.360 nan 0.000 0.413 557 V N 0.265 120.295 119.914 0.193 0.000 2.815 557 V HA 0.719 4.842 4.120 0.005 0.000 0.314 557 V C -1.151 175.050 176.094 0.178 0.000 1.064 557 V CA -0.476 61.917 62.300 0.155 0.000 0.952 557 V CB 1.577 33.469 31.823 0.115 0.000 1.020 557 V HN 0.742 nan 8.190 nan 0.000 0.439 558 A N 5.869 128.762 122.820 0.122 0.000 2.451 558 A HA 0.287 4.610 4.320 0.005 0.000 0.266 558 A C 0.279 177.966 177.584 0.171 0.000 1.119 558 A CA -0.172 51.942 52.037 0.128 0.000 0.786 558 A CB -0.025 19.038 19.000 0.105 0.000 1.061 558 A HN 1.030 nan 8.150 nan 0.000 0.503 559 W N 3.222 124.509 121.300 -0.023 0.000 2.121 559 W HA 0.252 4.918 4.660 0.010 0.000 0.298 559 W C 0.664 177.253 176.519 0.115 0.000 0.996 559 W CA 2.133 59.496 57.345 0.030 0.000 1.142 559 W CB -0.683 28.734 29.460 -0.072 0.000 1.200 559 W HN 1.508 nan 8.180 nan 0.000 0.470 560 S N -0.328 115.737 115.700 0.608 0.000 3.000 560 S HA -0.052 4.421 4.470 0.005 0.000 0.826 560 S C -0.813 173.859 174.600 0.119 0.000 0.910 560 S CA -0.706 57.678 58.200 0.306 0.000 1.391 560 S CB -1.032 62.284 63.200 0.193 0.000 0.990 560 S HN 0.464 nan 8.310 nan 0.000 0.237 561 R N 1.046 121.410 120.500 -0.228 0.000 2.539 561 R HA 0.433 4.776 4.340 0.005 0.000 0.275 561 R C -0.009 176.246 176.300 -0.076 0.000 1.077 561 R CA -0.531 55.276 56.100 -0.489 0.000 1.097 561 R CB 0.326 30.306 30.300 -0.533 0.000 1.018 561 R HN 0.689 nan 8.270 nan 0.000 0.483 562 Y N 2.810 123.047 120.300 -0.106 0.000 2.301 562 Y HA 0.104 4.657 4.550 0.005 0.000 0.328 562 Y C -0.411 175.470 175.900 -0.031 0.000 1.242 562 Y CA -0.235 57.870 58.100 0.008 0.000 1.323 562 Y CB 0.875 39.395 38.460 0.101 0.000 1.266 562 Y HN 0.738 nan 8.280 nan 0.000 0.527 563 N N 4.685 123.004 118.700 -0.635 0.000 4.101 563 N HA 0.075 4.818 4.740 0.005 0.000 0.182 563 N C -2.810 172.449 175.510 -0.418 0.000 1.306 563 N CA -1.293 51.547 53.050 -0.349 0.000 0.883 563 N CB 0.600 38.985 38.487 -0.169 0.000 1.686 563 N HN 0.273 nan 8.380 nan 0.000 0.801 564 P HA -0.317 nan 4.420 nan 0.000 0.222 564 P C 1.289 178.499 177.300 -0.149 0.000 1.152 564 P CA 1.823 64.780 63.100 -0.238 0.000 0.838 564 P CB 0.456 32.112 31.700 -0.073 0.000 0.771 565 K N -0.462 119.860 120.400 -0.131 0.000 1.984 565 K HA -0.159 4.164 4.320 0.005 0.000 0.209 565 K C 1.544 178.101 176.600 -0.071 0.000 1.046 565 K CA 1.892 58.141 56.287 -0.065 0.000 0.934 565 K CB -0.404 32.065 32.500 -0.053 0.000 0.717 565 K HN 0.017 nan 8.250 nan 0.000 0.438 566 D N 0.119 120.422 120.400 -0.162 0.000 2.202 566 D HA -0.076 4.567 4.640 0.005 0.000 0.214 566 D C 0.041 176.086 176.300 -0.425 0.000 0.967 566 D CA 0.615 54.505 54.000 -0.182 0.000 0.871 566 D CB 0.087 40.803 40.800 -0.140 0.000 1.020 566 D HN 0.283 nan 8.370 nan 0.000 0.474 567 Q N -0.035 119.434 119.800 -0.552 0.000 2.464 567 Q HA -0.186 4.157 4.340 0.005 0.000 0.304 567 Q C -0.976 174.915 176.000 -0.182 0.000 1.401 567 Q CA -0.096 55.303 55.803 -0.674 0.000 0.806 567 Q CB -1.654 26.733 28.738 -0.585 0.000 1.134 567 Q HN 0.214 nan 8.270 nan 0.000 0.411 568 L N 1.730 122.923 121.223 -0.050 0.000 2.361 568 L HA 0.271 4.614 4.340 0.005 0.000 0.278 568 L C 0.292 177.432 176.870 0.451 0.000 1.113 568 L CA 0.177 55.104 54.840 0.145 0.000 0.849 568 L CB -0.083 42.038 42.059 0.104 0.000 1.155 568 L HN 0.185 nan 8.230 nan 0.000 0.452 569 Y N 2.329 122.832 120.300 0.339 0.000 2.602 569 Y HA 0.815 5.367 4.550 0.004 0.000 0.330 569 Y C -0.861 175.165 175.900 0.211 0.000 1.114 569 Y CA -1.832 56.530 58.100 0.436 0.000 1.182 569 Y CB 0.988 39.740 38.460 0.488 0.000 1.305 569 Y HN 0.325 nan 8.280 nan 0.000 0.502 570 L N 2.211 123.556 121.223 0.204 0.000 2.307 570 L HA 0.349 4.692 4.340 0.005 0.000 0.284 570 L C -1.073 175.815 176.870 0.030 0.000 1.023 570 L CA -0.810 53.888 54.840 -0.235 0.000 0.810 570 L CB 0.610 42.002 42.059 -1.111 0.000 1.231 570 L HN 0.899 nan 8.230 nan 0.000 0.423 571 H N 5.123 124.109 119.070 -0.139 0.000 2.726 571 H HA 0.409 4.966 4.556 0.003 0.000 0.244 571 H C -0.197 175.057 175.328 -0.124 0.000 1.669 571 H CA -0.221 55.770 56.048 -0.094 0.000 1.293 571 H CB -0.212 29.429 29.762 -0.201 0.000 1.640 571 H HN 0.600 nan 8.280 nan 0.000 0.553 572 I N 4.007 124.506 120.570 -0.118 0.000 2.593 572 I HA 0.101 4.274 4.170 0.005 0.000 0.304 572 I C 1.172 177.133 176.117 -0.260 0.000 1.176 572 I CA 0.395 61.621 61.300 -0.122 0.000 1.533 572 I CB -0.203 37.816 38.000 0.032 0.000 1.492 572 I HN 0.623 nan 8.210 nan 0.000 0.704 573 G N 3.905 112.606 108.800 -0.164 0.000 3.209 573 G HA2 0.486 4.449 3.960 0.005 0.000 0.236 573 G HA3 0.486 4.449 3.960 0.005 0.000 0.236 573 G C 0.519 175.310 174.900 -0.182 0.000 1.329 573 G CA -0.642 44.376 45.100 -0.137 0.000 1.015 573 G HN 0.369 nan 8.290 nan 0.000 0.571 574 L N -0.700 120.426 121.223 -0.162 0.000 2.046 574 L HA 0.057 4.400 4.340 0.005 0.000 0.208 574 L C 0.698 177.484 176.870 -0.141 0.000 1.077 574 L CA 1.298 56.007 54.840 -0.219 0.000 0.747 574 L CB -0.261 41.700 42.059 -0.164 0.000 0.896 574 L HN 0.278 nan 8.230 nan 0.000 0.432 575 K N -0.341 120.010 120.400 -0.083 0.000 2.367 575 K HA 0.374 4.697 4.320 0.005 0.000 0.263 575 K C -2.535 174.035 176.600 -0.051 0.000 1.000 575 K CA -1.760 54.487 56.287 -0.066 0.000 0.891 575 K CB 0.631 33.101 32.500 -0.050 0.000 1.117 575 K HN -0.233 nan 8.250 nan 0.000 0.443 576 P HA 0.213 nan 4.420 nan 0.000 0.276 576 P C -0.935 176.347 177.300 -0.031 0.000 1.243 576 P CA -0.513 62.565 63.100 -0.037 0.000 0.768 576 P CB 0.795 32.468 31.700 -0.044 0.000 0.856 577 R N 1.544 122.015 120.500 -0.047 0.000 2.807 577 R HA 0.626 4.969 4.340 0.005 0.000 0.276 577 R C -0.984 175.244 176.300 -0.119 0.000 0.979 577 R CA -1.167 54.884 56.100 -0.082 0.000 0.928 577 R CB 1.642 31.867 30.300 -0.125 0.000 1.191 577 R HN 0.135 nan 8.270 nan 0.000 0.471 578 V N 2.790 122.628 119.914 -0.128 0.000 2.465 578 V HA 0.470 4.593 4.120 0.005 0.000 0.279 578 V C 0.475 176.406 176.094 -0.272 0.000 1.045 578 V CA -0.586 61.600 62.300 -0.190 0.000 0.938 578 V CB 0.988 32.758 31.823 -0.089 0.000 0.986 578 V HN 0.628 nan 8.190 nan 0.000 0.467 579 R N 2.617 122.788 120.500 -0.548 0.000 3.151 579 R HA 0.642 4.985 4.340 0.005 0.000 0.231 579 R C -1.350 174.682 176.300 -0.447 0.000 1.511 579 R CA -0.737 55.042 56.100 -0.535 0.000 1.047 579 R CB 1.668 31.590 30.300 -0.631 0.000 1.565 579 R HN 0.930 nan 8.270 nan 0.000 0.513 580 D N -1.312 119.056 120.400 -0.053 0.000 2.859 580 D HA 0.199 4.843 4.640 0.005 0.000 0.223 580 D C -1.002 175.620 176.300 0.536 0.000 1.218 580 D CA -0.481 53.640 54.000 0.202 0.000 0.850 580 D CB 1.027 41.900 40.800 0.122 0.000 1.656 580 D HN 0.642 nan 8.370 nan 0.000 0.484 581 H N -0.581 118.766 119.070 0.461 0.000 2.847 581 H HA -0.210 4.349 4.556 0.005 0.000 0.336 581 H C -0.979 174.562 175.328 0.355 0.000 1.221 581 H CA 0.246 56.497 56.048 0.339 0.000 1.162 581 H CB -2.183 27.706 29.762 0.212 0.000 1.566 581 H HN 0.408 nan 8.280 nan 0.000 0.430 582 Y N 3.079 123.469 120.300 0.151 0.000 2.828 582 Y HA 0.004 4.557 4.550 0.005 0.000 0.359 582 Y C 0.986 176.908 175.900 0.036 0.000 1.258 582 Y CA 0.549 58.527 58.100 -0.204 0.000 1.652 582 Y CB -0.327 37.658 38.460 -0.791 0.000 1.232 582 Y HN 0.586 nan 8.280 nan 0.000 0.513 583 R N 2.195 122.632 120.500 -0.104 0.000 3.919 583 R HA -0.285 4.058 4.340 0.005 0.000 0.412 583 R C 1.445 177.766 176.300 0.036 0.000 1.102 583 R CA 0.519 56.536 56.100 -0.138 0.000 1.082 583 R CB -2.230 27.830 30.300 -0.401 0.000 1.671 583 R HN 0.695 nan 8.270 nan 0.000 0.540 584 A N 0.763 123.657 122.820 0.122 0.000 1.865 584 A HA -0.388 3.935 4.320 0.005 0.000 0.244 584 A C 2.137 179.791 177.584 0.116 0.000 1.984 584 A CA 2.917 55.044 52.037 0.151 0.000 0.785 584 A CB -1.305 17.788 19.000 0.154 0.000 0.849 584 A HN 0.474 nan 8.150 nan 0.000 0.501 585 T N -0.805 113.805 114.554 0.092 0.000 2.699 585 T HA -0.175 4.178 4.350 0.005 0.000 0.268 585 T C 1.909 176.674 174.700 0.109 0.000 1.036 585 T CA 2.181 64.332 62.100 0.085 0.000 1.147 585 T CB -0.262 68.643 68.868 0.062 0.000 0.862 585 T HN 0.634 nan 8.240 nan 0.000 0.446 586 K N -0.022 120.451 120.400 0.122 0.000 2.186 586 K HA 0.121 4.444 4.320 0.005 0.000 0.202 586 K C 2.169 178.931 176.600 0.269 0.000 1.052 586 K CA 0.413 56.801 56.287 0.167 0.000 0.965 586 K CB 0.017 32.670 32.500 0.256 0.000 0.746 586 K HN 0.124 nan 8.250 nan 0.000 0.457 587 V N 1.222 121.278 119.914 0.237 0.000 2.453 587 V HA -0.164 3.959 4.120 0.005 0.000 0.247 587 V C 2.211 178.453 176.094 0.247 0.000 1.048 587 V CA 1.923 64.390 62.300 0.279 0.000 1.049 587 V CB -0.481 31.447 31.823 0.176 0.000 0.672 587 V HN 0.320 nan 8.190 nan 0.000 0.457 588 A N -0.436 122.494 122.820 0.184 0.000 2.019 588 A HA -0.202 4.121 4.320 0.005 0.000 0.219 588 A C 2.032 179.696 177.584 0.133 0.000 1.164 588 A CA 1.680 53.803 52.037 0.145 0.000 0.644 588 A CB -0.624 18.446 19.000 0.117 0.000 0.805 588 A HN 0.539 nan 8.150 nan 0.000 0.449 589 F N -0.713 119.223 119.950 -0.024 0.000 2.031 589 F HA -0.183 4.348 4.527 0.006 0.000 0.295 589 F C 2.045 177.792 175.800 -0.088 0.000 1.133 589 F CA 1.931 59.836 58.000 -0.158 0.000 1.188 589 F CB -0.698 38.058 39.000 -0.407 0.000 0.974 589 F HN 0.379 nan 8.300 nan 0.000 0.473 590 W N 0.528 121.901 121.300 0.123 0.000 2.342 590 W HA -0.150 4.513 4.660 0.004 0.000 0.297 590 W C 1.953 178.446 176.519 -0.043 0.000 1.213 590 W CA 0.803 58.167 57.345 0.033 0.000 1.251 590 W CB -0.379 29.207 29.460 0.209 0.000 1.136 590 W HN 0.036 nan 8.180 nan 0.000 0.526 591 L N -0.377 120.976 121.223 0.216 0.000 2.592 591 L HA 0.130 4.474 4.340 0.005 0.000 0.227 591 L C 1.546 178.454 176.870 0.063 0.000 1.127 591 L CA 0.343 55.255 54.840 0.120 0.000 0.884 591 L CB -0.047 42.082 42.059 0.117 0.000 1.065 591 L HN -0.037 nan 8.230 nan 0.000 0.457 592 E N 0.119 120.336 120.200 0.028 0.000 3.275 592 E HA 0.124 4.477 4.350 0.005 0.000 0.182 592 E C 0.071 176.710 176.600 0.065 0.000 1.217 592 E CA -0.300 56.135 56.400 0.059 0.000 1.276 592 E CB 0.253 29.992 29.700 0.066 0.000 1.980 592 E HN 0.029 nan 8.360 nan 0.000 0.516 593 L N 1.938 123.113 121.223 -0.080 0.000 2.387 593 L HA 0.334 4.677 4.340 0.005 0.000 0.267 593 L C -0.516 176.165 176.870 -0.316 0.000 1.197 593 L CA 0.320 55.093 54.840 -0.111 0.000 1.070 593 L CB 0.425 42.411 42.059 -0.122 0.000 1.349 593 L HN 0.287 nan 8.230 nan 0.000 0.422 594 V N 2.677 122.521 119.914 -0.117 0.000 4.945 594 V HA 0.092 4.215 4.120 0.005 0.000 0.130 594 V C -1.653 174.469 176.094 0.046 0.000 1.286 594 V CA 0.571 62.842 62.300 -0.049 0.000 0.949 594 V CB 0.198 32.020 31.823 -0.002 0.000 1.082 594 V HN 0.485 nan 8.190 nan 0.000 0.653 595 P HA -0.127 nan 4.420 nan 0.000 0.225 595 P C 0.183 177.403 177.300 -0.135 0.000 1.148 595 P CA 1.192 64.248 63.100 -0.073 0.000 0.779 595 P CB -0.442 31.191 31.700 -0.111 0.000 0.780 596 H N 0.073 119.117 119.070 -0.045 0.000 3.432 596 H HA 0.166 4.725 4.556 0.005 0.000 0.252 596 H C 1.294 176.592 175.328 -0.051 0.000 1.397 596 H CA 0.174 56.188 56.048 -0.058 0.000 1.549 596 H CB -0.609 29.116 29.762 -0.061 0.000 1.699 596 H HN 0.104 nan 8.280 nan 0.000 0.523 597 L N 0.279 121.504 121.223 0.002 0.000 1.719 597 L HA 0.337 4.680 4.340 0.005 0.000 0.119 597 L C -0.012 176.703 176.870 -0.258 0.000 1.421 597 L CA -0.492 54.324 54.840 -0.040 0.000 1.093 597 L CB 0.663 42.783 42.059 0.101 0.000 2.237 597 L HN 0.319 nan 8.230 nan 0.000 0.465 598 H N 0.000 119.071 119.070 0.001 0.000 2.539 598 H HA 0.000 4.559 4.556 0.005 0.000 0.296 598 H CA 0.000 56.043 56.048 -0.008 0.000 1.023 598 H CB 0.000 29.770 29.762 0.013 0.000 1.292 598 H HN 0.000 nan 8.280 nan 0.000 0.496