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 3biw_1_D DATA FIRST_RESID 52 DATA SEQUENCE DPLVTTNFGK IRGIKKELNN EILGPVIQFL GVPYAAPPTG EHRFQPPEPP DATA SEQUENCE SPWSDIRNAT QFAPVcPQNI IDGRLPEVML PVWFTNNLDV VSSYVQDQSE DATA SEQUENCE DcLYLNIYVP TXXXXXXXXX XXXXXXXXXX XXXXIRDSGG PKPVMVYIHG DATA SEQUENCE GSYMEGTGNL YDGSVLASYG NVIVITVNYR LGVLGFLSTG DQAAKGNYGL DATA SEQUENCE LDLIQALRWT SENIGFFGGD PLRITVFGSG AGGSCVNLLT LSHYSEXXXX DATA SEQUENCE XXXXKGLFQR AIAQSGTALS SWAVSFQPAK YARILATKVG cNVSDTVELV DATA SEQUENCE EcLQKKPYKE LVDQDVQPAR YHIAFGPVID GDVIPDDPQI LMEQGEFLNY DATA SEQUENCE DIMLGVNQGE GLKFVENIVD SDDGVSASDF DFAVSNFVDN LYGXXXXXXV DATA SEQUENCE LRETIKFMYT DWADRHNPET RRKTLLALFT DHQWVAPAVA TADLHSNFGS DATA SEQUENCE PTYFYAFYHH cQTDQVPAWA DAAHGDEVPY VLGIPMIGPT ELFPcNFSKN DATA SEQUENCE DVMLSAVVMT YWTNFAKTGD PNQPVXXXXX XXXXXXXXXX EVAWTRYSQK DATA SEQUENCE DQLYLHIGLK PRVKEHYRAN KVNLWLELVP HLHNL 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 52 D HA 0.000 nan 4.640 nan 0.000 0.175 52 D C 0.000 176.290 176.300 -0.017 0.000 2.045 52 D CA 0.000 53.986 54.000 -0.023 0.000 0.868 52 D CB 0.000 40.789 40.800 -0.018 0.000 0.688 53 P HA 0.429 nan 4.420 nan 0.000 0.283 53 P C -0.997 176.305 177.300 0.003 0.000 1.412 53 P CA -0.269 62.815 63.100 -0.027 0.000 0.912 53 P CB 0.438 32.062 31.700 -0.126 0.000 1.132 54 L N 2.678 123.938 121.223 0.061 0.000 2.354 54 L HA 0.722 5.062 4.340 -0.000 0.000 0.269 54 L C -0.569 176.352 176.870 0.085 0.000 1.005 54 L CA -1.116 53.776 54.840 0.086 0.000 0.819 54 L CB 2.450 44.537 42.059 0.046 0.000 1.311 54 L HN 0.015 nan 8.230 nan 0.000 0.423 55 V N 0.668 120.627 119.914 0.075 0.000 2.777 55 V HA 0.335 4.455 4.120 -0.000 0.000 0.306 55 V C -0.433 175.607 176.094 -0.090 0.000 1.112 55 V CA -0.512 61.720 62.300 -0.113 0.000 0.917 55 V CB 2.585 34.121 31.823 -0.478 0.000 1.018 55 V HN 0.775 nan 8.190 nan 0.000 0.426 56 T N 3.580 118.026 114.554 -0.179 0.000 2.845 56 T HA 0.648 4.998 4.350 -0.000 0.000 0.288 56 T C 0.199 174.686 174.700 -0.356 0.000 0.980 56 T CA -0.253 61.725 62.100 -0.203 0.000 1.071 56 T CB 1.381 70.084 68.868 -0.275 0.000 0.941 56 T HN 0.969 nan 8.240 nan 0.000 0.487 57 T N -0.325 114.123 114.554 -0.178 0.000 2.883 57 T HA 0.402 4.752 4.350 -0.000 0.000 0.284 57 T C 0.756 175.309 174.700 -0.245 0.000 1.041 57 T CA -1.006 61.050 62.100 -0.073 0.000 1.007 57 T CB 1.066 70.161 68.868 0.379 0.000 1.220 57 T HN 0.256 nan 8.240 nan 0.000 0.552 58 N N -0.461 118.117 118.700 -0.202 0.000 2.515 58 N HA 0.136 4.876 4.740 -0.000 0.000 0.191 58 N C -0.159 174.972 175.510 -0.631 0.000 1.182 58 N CA 0.362 53.151 53.050 -0.435 0.000 0.879 58 N CB -0.358 37.828 38.487 -0.503 0.000 0.984 58 N HN 0.513 nan 8.380 nan 0.000 0.453 59 F N -0.833 118.989 119.950 -0.213 0.000 2.784 59 F HA 0.398 4.925 4.527 -0.000 0.000 0.323 59 F C 1.379 176.489 175.800 -1.149 0.000 1.085 59 F CA -0.173 57.517 58.000 -0.516 0.000 1.196 59 F CB 0.671 39.441 39.000 -0.383 0.000 1.053 59 F HN -0.114 nan 8.300 nan 0.000 0.578 60 G N 0.207 108.627 108.800 -0.634 0.000 2.368 60 G HA2 0.162 4.122 3.960 -0.000 0.000 0.302 60 G HA3 0.162 4.122 3.960 -0.000 0.000 0.302 60 G C -1.425 173.574 174.900 0.165 0.000 1.329 60 G CA -1.245 43.482 45.100 -0.621 0.000 0.935 60 G HN -0.113 nan 8.290 nan 0.000 0.590 61 K N -0.359 120.293 120.400 0.420 0.000 2.087 61 K HA 0.763 5.082 4.320 -0.000 0.000 0.255 61 K C 0.060 176.978 176.600 0.529 0.000 0.988 61 K CA -0.474 56.032 56.287 0.364 0.000 0.915 61 K CB 1.734 34.356 32.500 0.203 0.000 1.043 61 K HN 0.753 nan 8.250 nan 0.000 0.457 62 I N -2.128 118.666 120.570 0.374 0.000 2.827 62 I HA 0.481 4.651 4.170 -0.000 0.000 0.298 62 I C -1.153 175.120 176.117 0.260 0.000 1.235 62 I CA -1.167 60.333 61.300 0.333 0.000 1.021 62 I CB 2.322 40.603 38.000 0.468 0.000 1.259 62 I HN 0.478 nan 8.210 nan 0.000 0.427 63 R N 3.083 123.659 120.500 0.127 0.000 2.338 63 R HA 0.741 5.081 4.340 -0.000 0.000 0.317 63 R C -0.517 175.680 176.300 -0.172 0.000 0.968 63 R CA -0.429 55.668 56.100 -0.004 0.000 0.849 63 R CB 1.836 32.116 30.300 -0.033 0.000 1.128 63 R HN 1.049 nan 8.270 nan 0.000 0.448 64 G N 4.191 112.681 108.800 -0.515 0.000 2.400 64 G HA2 0.368 4.328 3.960 -0.000 0.000 0.333 64 G HA3 0.368 4.328 3.960 -0.000 0.000 0.333 64 G C -0.794 173.799 174.900 -0.512 0.000 1.143 64 G CA -0.881 43.700 45.100 -0.865 0.000 0.914 64 G HN 0.705 nan 8.290 nan 0.000 0.480 65 I N 0.815 121.163 120.570 -0.370 0.000 2.395 65 I HA 0.449 4.619 4.170 -0.000 0.000 0.289 65 I C 0.353 176.351 176.117 -0.198 0.000 1.023 65 I CA -0.827 60.334 61.300 -0.233 0.000 1.350 65 I CB 1.003 38.892 38.000 -0.185 0.000 1.409 65 I HN 0.398 nan 8.210 nan 0.000 0.507 66 K N 6.858 127.179 120.400 -0.131 0.000 2.154 66 K HA 0.370 4.690 4.320 -0.000 0.000 0.264 66 K C -1.039 175.534 176.600 -0.045 0.000 1.008 66 K CA -0.508 55.736 56.287 -0.072 0.000 0.937 66 K CB 0.784 33.258 32.500 -0.043 0.000 1.002 66 K HN 0.511 nan 8.250 nan 0.000 0.469 67 K N 1.980 122.375 120.400 -0.008 0.000 2.508 67 K HA 0.302 4.622 4.320 -0.000 0.000 0.260 67 K C -1.119 175.496 176.600 0.025 0.000 0.949 67 K CA -0.795 55.495 56.287 0.006 0.000 0.834 67 K CB 1.884 34.395 32.500 0.019 0.000 1.365 67 K HN 0.622 nan 8.250 nan 0.000 0.437 68 E N 1.387 121.599 120.200 0.019 0.000 2.227 68 E HA 0.459 4.809 4.350 -0.000 0.000 0.268 68 E C -0.372 176.244 176.600 0.026 0.000 0.990 68 E CA -1.027 55.386 56.400 0.021 0.000 0.856 68 E CB 1.311 31.017 29.700 0.011 0.000 1.159 68 E HN 0.219 nan 8.360 nan 0.000 0.401 69 L N 1.550 122.788 121.223 0.024 0.000 2.334 69 L HA 0.263 4.603 4.340 -0.000 0.000 0.273 69 L C 0.981 177.854 176.870 0.005 0.000 1.013 69 L CA -0.481 54.369 54.840 0.017 0.000 0.816 69 L CB 0.834 42.905 42.059 0.020 0.000 1.278 69 L HN 0.363 nan 8.230 nan 0.000 0.431 70 N N 1.541 120.239 118.700 -0.004 0.000 2.654 70 N HA -0.079 4.661 4.740 -0.000 0.000 0.204 70 N C -0.567 174.932 175.510 -0.018 0.000 1.446 70 N CA 0.421 53.465 53.050 -0.009 0.000 0.895 70 N CB -0.269 38.211 38.487 -0.011 0.000 1.132 70 N HN 0.500 nan 8.380 nan 0.000 0.462 71 N N -0.256 118.435 118.700 -0.016 0.000 2.277 71 N HA 0.139 4.879 4.740 -0.000 0.000 0.286 71 N C -0.737 174.770 175.510 -0.005 0.000 1.140 71 N CA -0.328 52.710 53.050 -0.020 0.000 0.799 71 N CB 1.357 39.821 38.487 -0.039 0.000 1.596 71 N HN -0.078 nan 8.380 nan 0.000 0.473 72 E N 1.616 121.814 120.200 -0.004 0.000 2.403 72 E HA 0.300 4.650 4.350 -0.000 0.000 0.188 72 E C 0.604 177.210 176.600 0.011 0.000 1.056 72 E CA 0.293 56.696 56.400 0.004 0.000 0.892 72 E CB 0.137 29.838 29.700 0.002 0.000 1.049 72 E HN 0.564 nan 8.360 nan 0.000 0.465 73 I N -0.939 119.640 120.570 0.015 0.000 4.471 73 I HA 0.101 4.270 4.170 -0.000 0.000 0.326 73 I C 0.166 176.315 176.117 0.054 0.000 1.300 73 I CA -0.081 61.239 61.300 0.033 0.000 1.237 73 I CB 0.471 38.493 38.000 0.037 0.000 1.195 73 I HN -0.046 nan 8.210 nan 0.000 0.427 74 L N 2.380 123.630 121.223 0.046 0.000 2.281 74 L HA 0.434 4.774 4.340 -0.000 0.000 0.285 74 L C 1.066 177.965 176.870 0.049 0.000 1.074 74 L CA -0.422 54.455 54.840 0.061 0.000 0.817 74 L CB 0.621 42.707 42.059 0.045 0.000 1.168 74 L HN 0.098 nan 8.230 nan 0.000 0.434 75 G N 4.293 113.125 108.800 0.054 0.000 2.527 75 G HA2 0.268 4.228 3.960 -0.000 0.000 0.279 75 G HA3 0.268 4.228 3.960 -0.000 0.000 0.279 75 G C -2.343 172.587 174.900 0.051 0.000 1.374 75 G CA -0.550 44.577 45.100 0.046 0.000 1.053 75 G HN 0.429 nan 8.290 nan 0.000 0.539 76 P HA 0.541 nan 4.420 nan 0.000 0.284 76 P C -1.102 176.246 177.300 0.080 0.000 1.292 76 P CA -0.503 62.630 63.100 0.056 0.000 0.800 76 P CB 1.953 33.679 31.700 0.043 0.000 1.188 77 V N 0.381 120.349 119.914 0.089 0.000 2.851 77 V HA 0.255 4.375 4.120 -0.000 0.000 0.307 77 V C -0.277 175.885 176.094 0.113 0.000 1.129 77 V CA -0.649 61.729 62.300 0.131 0.000 0.932 77 V CB 2.163 34.092 31.823 0.176 0.000 1.024 77 V HN 0.327 nan 8.190 nan 0.000 0.426 78 I N 3.562 124.224 120.570 0.153 0.000 2.297 78 I HA 0.424 4.594 4.170 -0.000 0.000 0.291 78 I C 0.174 176.369 176.117 0.130 0.000 1.033 78 I CA -0.290 61.068 61.300 0.097 0.000 1.253 78 I CB 0.997 39.109 38.000 0.186 0.000 1.396 78 I HN 0.706 nan 8.210 nan 0.000 0.476 79 Q N 5.686 125.445 119.800 -0.068 0.000 2.257 79 Q HA 0.472 4.812 4.340 -0.000 0.000 0.255 79 Q C -1.350 174.531 176.000 -0.198 0.000 0.920 79 Q CA -0.362 55.359 55.803 -0.137 0.000 0.927 79 Q CB 1.657 30.238 28.738 -0.261 0.000 1.229 79 Q HN 0.368 nan 8.270 nan 0.000 0.433 80 F N 3.016 122.890 119.950 -0.126 0.000 2.363 80 F HA 0.326 4.853 4.527 -0.000 0.000 0.366 80 F C -0.432 175.326 175.800 -0.070 0.000 1.083 80 F CA -0.584 57.412 58.000 -0.007 0.000 1.176 80 F CB 0.419 39.535 39.000 0.193 0.000 1.432 80 F HN 0.268 nan 8.300 nan 0.000 0.482 81 L N 1.861 123.068 121.223 -0.026 0.000 2.326 81 L HA 0.625 4.965 4.340 -0.000 0.000 0.278 81 L C 1.182 178.072 176.870 0.034 0.000 1.092 81 L CA -0.411 54.406 54.840 -0.039 0.000 0.810 81 L CB 1.050 42.918 42.059 -0.318 0.000 1.153 81 L HN 0.809 nan 8.230 nan 0.000 0.439 82 G N 2.066 110.939 108.800 0.122 0.000 2.157 82 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.248 82 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.248 82 G C 0.106 175.109 174.900 0.172 0.000 0.979 82 G CA -0.180 44.952 45.100 0.055 0.000 0.650 82 G HN 0.389 nan 8.290 nan 0.000 0.529 83 V N 3.065 123.094 119.914 0.192 0.000 2.557 83 V HA 0.292 4.412 4.120 -0.000 0.000 0.301 83 V C -0.999 175.197 176.094 0.170 0.000 1.026 83 V CA -0.067 62.334 62.300 0.170 0.000 1.137 83 V CB 0.797 32.647 31.823 0.044 0.000 0.917 83 V HN 0.348 nan 8.190 nan 0.000 0.484 84 P HA 0.211 nan 4.420 nan 0.000 0.293 84 P C -0.699 176.411 177.300 -0.317 0.000 1.300 84 P CA -0.242 62.717 63.100 -0.235 0.000 0.792 84 P CB 0.662 32.267 31.700 -0.158 0.000 0.925 85 Y N 2.211 122.219 120.300 -0.486 0.000 2.507 85 Y HA 0.745 5.295 4.550 -0.000 0.000 0.254 85 Y C -0.047 175.725 175.900 -0.213 0.000 1.171 85 Y CA -0.934 56.857 58.100 -0.515 0.000 1.238 85 Y CB 0.194 38.333 38.460 -0.536 0.000 1.148 85 Y HN 0.497 nan 8.280 nan 0.000 0.525 86 A N 0.592 123.057 122.820 -0.591 0.000 2.586 86 A HA 0.773 5.093 4.320 -0.000 0.000 0.291 86 A C -1.166 176.152 177.584 -0.442 0.000 1.062 86 A CA -0.735 51.041 52.037 -0.436 0.000 0.666 86 A CB -0.049 18.685 19.000 -0.444 0.000 1.281 86 A HN 0.696 nan 8.150 nan 0.000 0.421 87 A N 1.206 123.838 122.820 -0.315 0.000 2.450 87 A HA 0.616 4.936 4.320 -0.000 0.000 0.255 87 A C -2.409 175.007 177.584 -0.279 0.000 1.096 87 A CA -1.014 50.862 52.037 -0.269 0.000 0.778 87 A CB -0.794 18.055 19.000 -0.251 0.000 1.031 87 A HN 0.459 nan 8.150 nan 0.000 0.494 88 P HA 0.049 nan 4.420 nan 0.000 0.260 88 P C -2.259 174.970 177.300 -0.118 0.000 1.172 88 P CA -0.420 62.578 63.100 -0.170 0.000 0.760 88 P CB 0.134 31.786 31.700 -0.081 0.000 0.773 89 P HA 0.014 nan 4.420 nan 0.000 0.226 89 P C -0.588 176.651 177.300 -0.102 0.000 1.783 89 P CA 0.143 63.164 63.100 -0.130 0.000 0.980 89 P CB -0.323 31.258 31.700 -0.199 0.000 1.967 90 T N -3.416 111.131 114.554 -0.011 0.000 2.912 90 T HA 0.611 4.961 4.350 -0.000 0.000 0.288 90 T C 0.944 175.613 174.700 -0.052 0.000 1.030 90 T CA 0.119 62.196 62.100 -0.039 0.000 1.020 90 T CB 1.981 70.835 68.868 -0.023 0.000 1.056 90 T HN 0.289 nan 8.240 nan 0.000 0.480 91 G N 2.919 111.679 108.800 -0.067 0.000 2.815 91 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.326 91 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.326 91 G C 0.874 175.717 174.900 -0.096 0.000 1.191 91 G CA 0.994 46.047 45.100 -0.078 0.000 0.965 91 G HN 1.235 nan 8.290 nan 0.000 0.564 92 E N -0.013 120.079 120.200 -0.181 0.000 2.442 92 E HA 0.098 4.448 4.350 -0.000 0.000 0.195 92 E C 1.746 178.265 176.600 -0.137 0.000 1.030 92 E CA 0.964 57.261 56.400 -0.172 0.000 0.869 92 E CB -0.103 29.452 29.700 -0.243 0.000 0.857 92 E HN 0.671 nan 8.360 nan 0.000 0.505 93 H N 0.968 119.997 119.070 -0.069 0.000 2.548 93 H HA 0.170 4.726 4.556 -0.000 0.000 0.265 93 H C 0.437 175.657 175.328 -0.182 0.000 0.969 93 H CA 0.109 56.096 56.048 -0.102 0.000 1.155 93 H CB -0.071 29.631 29.762 -0.099 0.000 1.394 93 H HN 0.103 nan 8.280 nan 0.000 0.570 94 R N 0.375 120.807 120.500 -0.114 0.000 2.491 94 R HA -0.019 4.321 4.340 -0.000 0.000 0.283 94 R C -0.431 175.649 176.300 -0.366 0.000 1.072 94 R CA -0.078 55.804 56.100 -0.364 0.000 1.048 94 R CB -0.092 29.961 30.300 -0.411 0.000 0.983 94 R HN 0.013 nan 8.270 nan 0.000 0.450 95 F N 0.212 119.829 119.950 -0.554 0.000 3.018 95 F HA -0.237 4.290 4.527 -0.000 0.000 0.287 95 F C -0.396 174.846 175.800 -0.929 0.000 0.813 95 F CA 0.860 58.238 58.000 -1.036 0.000 1.209 95 F CB -1.535 37.206 39.000 -0.431 0.000 1.321 95 F HN 0.587 nan 8.300 nan 0.000 0.477 96 Q N -0.514 118.990 119.800 -0.493 0.000 2.372 96 Q HA 0.497 4.837 4.340 -0.000 0.000 0.273 96 Q C -2.309 173.676 176.000 -0.026 0.000 1.078 96 Q CA -2.016 53.715 55.803 -0.121 0.000 0.806 96 Q CB 2.123 30.867 28.738 0.010 0.000 1.332 96 Q HN -0.202 nan 8.270 nan 0.000 0.435 97 P HA -0.015 nan 4.420 nan 0.000 0.264 97 P C -2.273 175.041 177.300 0.023 0.000 1.179 97 P CA -0.364 62.807 63.100 0.119 0.000 0.763 97 P CB -0.117 31.659 31.700 0.126 0.000 0.806 98 P HA 0.056 nan 4.420 nan 0.000 0.269 98 P C -0.402 176.862 177.300 -0.061 0.000 1.215 98 P CA 0.368 63.438 63.100 -0.051 0.000 0.780 98 P CB 0.828 32.526 31.700 -0.002 0.000 0.898 99 E N 1.690 121.802 120.200 -0.146 0.000 2.235 99 E HA 0.466 4.816 4.350 -0.000 0.000 0.265 99 E C -2.293 174.249 176.600 -0.097 0.000 0.940 99 E CA -2.335 53.987 56.400 -0.131 0.000 0.819 99 E CB 0.543 30.093 29.700 -0.251 0.000 1.206 99 E HN 0.302 nan 8.360 nan 0.000 0.409 100 P HA 0.109 nan 4.420 nan 0.000 0.269 100 P C -2.364 174.837 177.300 -0.164 0.000 1.215 100 P CA -0.807 62.284 63.100 -0.016 0.000 0.780 100 P CB -0.031 31.725 31.700 0.094 0.000 0.898 101 P HA 0.100 nan 4.420 nan 0.000 0.277 101 P C -0.765 176.284 177.300 -0.419 0.000 1.240 101 P CA -0.080 62.775 63.100 -0.409 0.000 0.798 101 P CB 0.683 32.102 31.700 -0.469 0.000 0.979 102 S N 2.680 118.281 115.700 -0.165 0.000 2.537 102 S HA 0.386 4.856 4.470 -0.000 0.000 0.275 102 S C -1.766 172.861 174.600 0.045 0.000 1.272 102 S CA -0.888 57.291 58.200 -0.034 0.000 1.050 102 S CB 0.049 63.272 63.200 0.038 0.000 0.961 102 S HN 0.466 nan 8.310 nan 0.000 0.496 103 P HA 0.384 nan 4.420 nan 0.000 0.276 103 P C -1.234 176.103 177.300 0.062 0.000 1.244 103 P CA -0.619 62.423 63.100 -0.096 0.000 0.801 103 P CB 0.539 32.217 31.700 -0.037 0.000 1.006 104 W N 0.068 121.451 121.300 0.139 0.000 2.864 104 W HA 0.585 5.245 4.660 -0.000 0.000 0.343 104 W C 0.785 177.357 176.519 0.090 0.000 1.109 104 W CA -0.537 56.867 57.345 0.098 0.000 1.192 104 W CB 0.118 29.636 29.460 0.095 0.000 1.426 104 W HN 0.372 nan 8.180 nan 0.000 0.529 105 S N -0.028 115.815 115.700 0.238 0.000 2.371 105 S HA -0.105 4.365 4.470 -0.000 0.000 0.219 105 S C 0.856 175.584 174.600 0.213 0.000 1.040 105 S CA 1.122 59.405 58.200 0.138 0.000 0.958 105 S CB -1.063 62.196 63.200 0.098 0.000 0.860 105 S HN 0.694 nan 8.310 nan 0.000 0.487 106 D N 2.338 122.890 120.400 0.254 0.000 1.848 106 D HA -0.016 4.624 4.640 -0.000 0.000 0.246 106 D C 0.182 176.654 176.300 0.286 0.000 1.150 106 D CA 0.106 54.232 54.000 0.211 0.000 0.936 106 D CB -0.084 40.805 40.800 0.148 0.000 1.396 106 D HN 0.374 nan 8.370 nan 0.000 0.508 107 I N -0.272 120.407 120.570 0.183 0.000 2.418 107 I HA 0.186 4.356 4.170 -0.000 0.000 0.287 107 I C 0.327 176.460 176.117 0.027 0.000 1.008 107 I CA -0.757 60.639 61.300 0.160 0.000 1.104 107 I CB 1.860 39.918 38.000 0.097 0.000 1.264 107 I HN 0.173 nan 8.210 nan 0.000 0.438 108 R N 5.848 126.302 120.500 -0.076 0.000 2.265 108 R HA 0.241 4.581 4.340 -0.000 0.000 0.314 108 R C -0.479 175.739 176.300 -0.137 0.000 1.053 108 R CA -0.614 55.306 56.100 -0.299 0.000 0.931 108 R CB 0.641 30.450 30.300 -0.818 0.000 1.024 108 R HN 0.521 nan 8.270 nan 0.000 0.457 109 N N 2.947 121.570 118.700 -0.130 0.000 2.406 109 N HA 0.036 4.776 4.740 -0.000 0.000 0.265 109 N C -0.782 174.672 175.510 -0.094 0.000 1.203 109 N CA 0.229 53.223 53.050 -0.093 0.000 0.945 109 N CB 1.528 39.960 38.487 -0.091 0.000 1.165 109 N HN 0.530 nan 8.380 nan 0.000 0.485 110 A N 1.866 124.653 122.820 -0.054 0.000 3.056 110 A HA 0.290 4.610 4.320 -0.000 0.000 0.328 110 A C 0.918 178.451 177.584 -0.085 0.000 1.233 110 A CA -0.599 51.424 52.037 -0.022 0.000 0.965 110 A CB -0.323 18.754 19.000 0.128 0.000 1.123 110 A HN 0.534 nan 8.150 nan 0.000 0.502 111 T N -2.533 111.945 114.554 -0.125 0.000 3.091 111 T HA 0.356 4.705 4.350 -0.000 0.000 0.277 111 T C 0.095 174.672 174.700 -0.206 0.000 0.996 111 T CA 0.004 62.001 62.100 -0.171 0.000 0.897 111 T CB -0.447 68.331 68.868 -0.150 0.000 1.109 111 T HN 0.767 nan 8.240 nan 0.000 0.534 112 Q N 0.206 119.885 119.800 -0.202 0.000 2.426 112 Q HA 0.555 4.895 4.340 -0.000 0.000 0.278 112 Q C -1.545 174.356 176.000 -0.165 0.000 1.007 112 Q CA -1.152 54.504 55.803 -0.245 0.000 0.850 112 Q CB 0.490 29.132 28.738 -0.159 0.000 1.427 112 Q HN 0.004 nan 8.270 nan 0.000 0.391 113 F N 1.543 121.462 119.950 -0.052 0.000 2.635 113 F HA 0.239 4.766 4.527 -0.000 0.000 0.379 113 F C 1.009 176.734 175.800 -0.125 0.000 1.094 113 F CA 0.731 58.701 58.000 -0.050 0.000 1.300 113 F CB 0.217 39.221 39.000 0.006 0.000 1.035 113 F HN 0.736 nan 8.300 nan 0.000 0.581 114 A N 5.261 128.090 122.820 0.015 0.000 2.271 114 A HA 0.610 4.929 4.320 -0.000 0.000 0.288 114 A C -2.278 175.211 177.584 -0.159 0.000 1.094 114 A CA -1.678 50.192 52.037 -0.278 0.000 0.828 114 A CB -0.236 18.250 19.000 -0.856 0.000 1.091 114 A HN 0.522 nan 8.150 nan 0.000 0.493 115 P HA 0.171 nan 4.420 nan 0.000 0.266 115 P C -0.056 177.211 177.300 -0.056 0.000 1.193 115 P CA 0.084 63.131 63.100 -0.089 0.000 0.770 115 P CB 0.283 31.930 31.700 -0.089 0.000 0.836 116 V N 0.536 120.426 119.914 -0.041 0.000 3.134 116 V HA 0.398 4.518 4.120 -0.000 0.000 0.313 116 V C 0.079 176.137 176.094 -0.060 0.000 1.069 116 V CA -0.593 61.682 62.300 -0.042 0.000 1.048 116 V CB 0.728 32.527 31.823 -0.040 0.000 1.119 116 V HN 0.525 nan 8.190 nan 0.000 0.461 117 c N 1.928 120.486 118.600 -0.069 0.000 2.595 117 c HA 0.407 4.977 4.570 -0.000 0.000 0.384 117 c C -2.126 171.905 174.090 -0.098 0.000 1.289 117 c CA -0.385 55.878 56.329 -0.110 0.000 2.372 117 c CB -0.193 42.250 42.510 -0.113 0.000 2.593 117 c HN 0.807 nan 8.230 nan 0.000 0.639 118 P HA 0.090 nan 4.420 nan 0.000 0.258 118 P C -0.585 176.720 177.300 0.009 0.000 1.187 118 P CA 0.839 63.896 63.100 -0.071 0.000 0.767 118 P CB -0.009 31.617 31.700 -0.124 0.000 0.770 119 Q N 2.252 122.083 119.800 0.052 0.000 2.685 119 Q HA 0.561 4.901 4.340 -0.000 0.000 0.301 119 Q C -1.466 174.582 176.000 0.080 0.000 0.924 119 Q CA -1.094 54.750 55.803 0.068 0.000 0.755 119 Q CB 1.702 30.483 28.738 0.072 0.000 1.470 119 Q HN 0.137 nan 8.270 nan 0.000 0.434 120 N N 0.808 119.558 118.700 0.082 0.000 2.664 120 N HA 0.215 4.955 4.740 -0.000 0.000 0.268 120 N C -0.621 174.938 175.510 0.082 0.000 1.222 120 N CA -0.259 52.837 53.050 0.076 0.000 0.805 120 N CB 1.340 39.868 38.487 0.069 0.000 1.399 120 N HN 0.893 nan 8.380 nan 0.000 0.547 121 I N 1.853 122.476 120.570 0.088 0.000 3.339 121 I HA 0.142 4.311 4.170 -0.000 0.000 0.285 121 I C 1.949 178.110 176.117 0.074 0.000 1.201 121 I CA -0.148 61.216 61.300 0.108 0.000 1.434 121 I CB -0.179 37.923 38.000 0.169 0.000 1.152 121 I HN 0.323 nan 8.210 nan 0.000 0.443 122 I N 2.684 123.282 120.570 0.047 0.000 2.148 122 I HA -0.348 3.821 4.170 -0.000 0.000 0.229 122 I C 0.838 176.974 176.117 0.032 0.000 0.993 122 I CA 1.732 63.048 61.300 0.028 0.000 1.295 122 I CB -1.663 36.349 38.000 0.020 0.000 1.004 122 I HN 0.323 nan 8.210 nan 0.000 0.386 123 D N 2.340 122.760 120.400 0.033 0.000 2.483 123 D HA 0.009 4.649 4.640 -0.000 0.000 0.261 123 D C 1.230 177.553 176.300 0.038 0.000 1.318 123 D CA 0.643 54.663 54.000 0.032 0.000 1.201 123 D CB -0.587 40.232 40.800 0.032 0.000 1.127 123 D HN 0.693 nan 8.370 nan 0.000 0.519 124 G N 3.028 111.850 108.800 0.037 0.000 2.055 124 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.260 124 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.260 124 G C 1.121 176.045 174.900 0.040 0.000 0.670 124 G CA 0.719 45.843 45.100 0.040 0.000 0.810 124 G HN 0.724 nan 8.290 nan 0.000 0.451 125 R N -0.824 119.702 120.500 0.043 0.000 2.317 125 R HA 0.235 4.575 4.340 -0.000 0.000 0.208 125 R C 0.559 176.879 176.300 0.033 0.000 0.914 125 R CA -0.414 55.710 56.100 0.040 0.000 1.060 125 R CB -0.095 30.233 30.300 0.046 0.000 1.015 125 R HN 0.282 nan 8.270 nan 0.000 0.498 126 L N 1.163 122.407 121.223 0.035 0.000 2.367 126 L HA 0.416 4.756 4.340 -0.000 0.000 0.275 126 L C -2.205 174.662 176.870 -0.005 0.000 1.129 126 L CA -2.487 52.360 54.840 0.012 0.000 0.839 126 L CB -0.460 41.619 42.059 0.032 0.000 1.133 126 L HN -0.062 nan 8.230 nan 0.000 0.453 127 P HA -0.004 nan 4.420 nan 0.000 0.254 127 P C 0.397 177.681 177.300 -0.027 0.000 1.467 127 P CA 0.038 63.121 63.100 -0.028 0.000 1.281 127 P CB 0.417 32.072 31.700 -0.075 0.000 1.754 128 E N 1.476 121.690 120.200 0.022 0.000 2.196 128 E HA -0.248 4.102 4.350 -0.000 0.000 0.222 128 E C 1.839 178.479 176.600 0.066 0.000 1.072 128 E CA 2.401 58.826 56.400 0.042 0.000 0.902 128 E CB -0.741 29.002 29.700 0.072 0.000 0.780 128 E HN 0.460 nan 8.360 nan 0.000 0.467 129 V N -1.363 118.634 119.914 0.138 0.000 2.343 129 V HA -0.238 3.882 4.120 -0.000 0.000 0.247 129 V C 2.347 178.549 176.094 0.181 0.000 1.051 129 V CA 1.974 64.434 62.300 0.267 0.000 1.036 129 V CB -0.580 31.535 31.823 0.487 0.000 0.654 129 V HN 0.151 nan 8.190 nan 0.000 0.451 130 M N -0.192 119.329 119.600 -0.133 0.000 2.175 130 M HA 0.087 4.566 4.480 -0.000 0.000 0.264 130 M C 0.564 176.769 176.300 -0.158 0.000 1.063 130 M CA 1.136 56.170 55.300 -0.443 0.000 1.119 130 M CB -0.210 31.932 32.600 -0.763 0.000 1.377 130 M HN 0.341 nan 8.290 nan 0.000 0.415 131 L N 0.984 122.086 121.223 -0.202 0.000 2.417 131 L HA 0.188 4.528 4.340 -0.000 0.000 0.268 131 L C -1.824 174.870 176.870 -0.293 0.000 1.158 131 L CA -1.626 53.001 54.840 -0.354 0.000 0.819 131 L CB -0.635 41.126 42.059 -0.497 0.000 1.112 131 L HN -0.037 nan 8.230 nan 0.000 0.458 132 P HA 0.005 nan 4.420 nan 0.000 0.270 132 P C 0.843 177.856 177.300 -0.477 0.000 1.223 132 P CA -0.242 62.452 63.100 -0.677 0.000 0.785 132 P CB 0.934 32.017 31.700 -1.030 0.000 0.923 133 V N 1.842 121.600 119.914 -0.260 0.000 2.270 133 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 133 V C 2.454 178.502 176.094 -0.076 0.000 1.043 133 V CA 2.167 64.410 62.300 -0.094 0.000 1.014 133 V CB -1.534 30.299 31.823 0.018 0.000 0.645 133 V HN 0.739 nan 8.190 nan 0.000 0.447 134 W N -0.441 120.881 121.300 0.036 0.000 2.331 134 W HA -0.290 4.370 4.660 -0.000 0.000 0.291 134 W C 2.278 178.745 176.519 -0.086 0.000 1.214 134 W CA 1.260 58.576 57.345 -0.048 0.000 1.228 134 W CB -1.294 28.115 29.460 -0.086 0.000 1.135 134 W HN 0.338 nan 8.180 nan 0.000 0.537 135 F N 2.855 122.335 119.950 -0.783 0.000 2.163 135 F HA -0.099 4.427 4.527 -0.000 0.000 0.297 135 F C 2.548 178.170 175.800 -0.297 0.000 1.094 135 F CA 2.753 60.340 58.000 -0.688 0.000 1.290 135 F CB -0.647 37.671 39.000 -1.137 0.000 1.017 135 F HN -0.276 nan 8.300 nan 0.000 0.483 136 T N 0.144 114.729 114.554 0.051 0.000 2.770 136 T HA -0.127 4.223 4.350 -0.000 0.000 0.263 136 T C 1.158 175.852 174.700 -0.010 0.000 1.039 136 T CA 1.329 63.462 62.100 0.055 0.000 1.142 136 T CB -0.431 68.460 68.868 0.038 0.000 0.868 136 T HN 0.080 nan 8.240 nan 0.000 0.435 137 N N 2.352 121.045 118.700 -0.011 0.000 2.530 137 N HA 0.072 4.812 4.740 -0.000 0.000 0.216 137 N C 0.336 175.831 175.510 -0.025 0.000 1.315 137 N CA 0.173 53.218 53.050 -0.007 0.000 0.858 137 N CB -0.143 38.351 38.487 0.012 0.000 1.138 137 N HN 0.193 nan 8.380 nan 0.000 0.473 138 N N -0.529 118.134 118.700 -0.061 0.000 2.566 138 N HA 0.033 4.773 4.740 -0.000 0.000 0.221 138 N C 0.543 175.965 175.510 -0.147 0.000 1.363 138 N CA 0.015 53.014 53.050 -0.085 0.000 1.517 138 N CB -0.444 37.997 38.487 -0.077 0.000 1.312 138 N HN 0.064 nan 8.380 nan 0.000 0.601 139 L N 0.066 121.198 121.223 -0.152 0.000 2.211 139 L HA -0.236 4.104 4.340 -0.000 0.000 0.216 139 L C 1.560 178.342 176.870 -0.146 0.000 1.092 139 L CA 1.471 56.194 54.840 -0.195 0.000 0.767 139 L CB -0.151 41.848 42.059 -0.100 0.000 0.894 139 L HN 0.242 nan 8.230 nan 0.000 0.437 140 D N -0.172 120.173 120.400 -0.093 0.000 2.157 140 D HA -0.189 4.450 4.640 -0.000 0.000 0.197 140 D C 2.162 178.429 176.300 -0.055 0.000 0.995 140 D CA 1.749 55.712 54.000 -0.062 0.000 0.860 140 D CB -0.499 40.273 40.800 -0.047 0.000 1.016 140 D HN 0.126 nan 8.370 nan 0.000 0.452 141 V N 1.426 121.314 119.914 -0.044 0.000 2.363 141 V HA -0.252 3.868 4.120 -0.000 0.000 0.254 141 V C 2.745 178.900 176.094 0.101 0.000 1.074 141 V CA 1.318 63.624 62.300 0.010 0.000 1.069 141 V CB -0.670 31.160 31.823 0.013 0.000 0.659 141 V HN 0.059 nan 8.190 nan 0.000 0.455 142 V N -0.391 119.491 119.914 -0.053 0.000 2.295 142 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 142 V C 2.550 178.643 176.094 -0.002 0.000 1.049 142 V CA 2.372 64.589 62.300 -0.139 0.000 1.024 142 V CB -0.779 30.674 31.823 -0.616 0.000 0.648 142 V HN 0.568 nan 8.190 nan 0.000 0.447 143 S N 0.856 116.526 115.700 -0.051 0.000 2.370 143 S HA -0.174 4.296 4.470 -0.000 0.000 0.226 143 S C 1.830 176.443 174.600 0.021 0.000 1.033 143 S CA 1.656 59.849 58.200 -0.013 0.000 1.011 143 S CB -0.434 62.750 63.200 -0.027 0.000 0.852 143 S HN 0.813 nan 8.310 nan 0.000 0.457 144 S N -0.135 115.567 115.700 0.004 0.000 2.954 144 S HA 0.133 4.603 4.470 -0.000 0.000 0.234 144 S C 0.593 175.096 174.600 -0.161 0.000 0.978 144 S CA 0.081 58.236 58.200 -0.075 0.000 1.045 144 S CB -0.488 62.636 63.200 -0.127 0.000 0.807 144 S HN 0.558 nan 8.310 nan 0.000 0.508 145 Y N -0.306 119.959 120.300 -0.058 0.000 2.820 145 Y HA 0.204 4.754 4.550 -0.000 0.000 0.261 145 Y C 1.828 177.691 175.900 -0.061 0.000 1.123 145 Y CA 0.123 58.184 58.100 -0.065 0.000 1.217 145 Y CB 0.569 38.970 38.460 -0.099 0.000 1.432 145 Y HN 0.317 nan 8.280 nan 0.000 0.461 146 V N 0.095 120.088 119.914 0.131 0.000 3.499 146 V HA 0.019 4.138 4.120 -0.000 0.000 0.308 146 V C 1.261 177.381 176.094 0.044 0.000 1.319 146 V CA 0.721 63.061 62.300 0.066 0.000 1.194 146 V CB -0.706 31.157 31.823 0.068 0.000 1.072 146 V HN 0.522 nan 8.190 nan 0.000 0.426 147 Q N 0.283 120.103 119.800 0.033 0.000 2.297 147 Q HA -0.045 4.295 4.340 -0.000 0.000 0.204 147 Q C 0.642 176.654 176.000 0.020 0.000 0.962 147 Q CA 1.339 57.154 55.803 0.019 0.000 0.879 147 Q CB -0.106 28.631 28.738 -0.001 0.000 0.947 147 Q HN 0.563 nan 8.270 nan 0.000 0.462 148 D N 1.401 121.810 120.400 0.015 0.000 2.485 148 D HA 0.162 4.802 4.640 -0.000 0.000 0.221 148 D C -0.878 175.426 176.300 0.008 0.000 1.112 148 D CA -0.172 53.834 54.000 0.011 0.000 0.911 148 D CB 0.572 41.372 40.800 0.001 0.000 1.019 148 D HN 0.221 nan 8.370 nan 0.000 0.516 149 Q N 0.918 120.734 119.800 0.026 0.000 2.194 149 Q HA 0.690 5.030 4.340 -0.000 0.000 0.245 149 Q C -0.726 175.257 176.000 -0.028 0.000 0.993 149 Q CA -1.022 54.782 55.803 0.001 0.000 0.930 149 Q CB 1.852 30.619 28.738 0.047 0.000 1.238 149 Q HN 0.350 nan 8.270 nan 0.000 0.486 150 S N -1.059 114.529 115.700 -0.186 0.000 2.675 150 S HA 0.001 4.471 4.470 -0.000 0.000 0.297 150 S C -0.351 173.949 174.600 -0.501 0.000 1.035 150 S CA -0.581 57.453 58.200 -0.277 0.000 0.852 150 S CB 1.281 64.419 63.200 -0.103 0.000 1.051 150 S HN 0.810 nan 8.310 nan 0.000 0.451 151 E N 1.578 121.387 120.200 -0.653 0.000 2.274 151 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 151 E C 0.129 176.579 176.600 -0.251 0.000 0.996 151 E CA 0.946 57.034 56.400 -0.519 0.000 0.840 151 E CB 0.081 29.559 29.700 -0.369 0.000 0.772 151 E HN 0.562 nan 8.360 nan 0.000 0.491 152 D N -0.291 120.021 120.400 -0.146 0.000 2.468 152 D HA 0.014 4.654 4.640 -0.000 0.000 0.218 152 D C 0.156 176.506 176.300 0.082 0.000 1.155 152 D CA -0.378 53.594 54.000 -0.046 0.000 0.924 152 D CB 0.321 41.129 40.800 0.015 0.000 1.029 152 D HN 0.194 nan 8.370 nan 0.000 0.515 153 c N 2.325 120.941 118.600 0.027 0.000 3.642 153 c HA 0.358 4.927 4.570 -0.000 0.000 0.305 153 c C 0.985 175.173 174.090 0.164 0.000 1.492 153 c CA -0.689 55.737 56.329 0.162 0.000 1.809 153 c CB -1.335 41.178 42.510 0.004 0.000 2.639 153 c HN 0.494 nan 8.230 nan 0.000 0.672 154 L N 2.532 123.618 121.223 -0.228 0.000 2.546 154 L HA 0.188 4.528 4.340 -0.000 0.000 0.272 154 L C -0.809 175.549 176.870 -0.854 0.000 1.327 154 L CA 0.920 55.443 54.840 -0.528 0.000 1.199 154 L CB -1.158 40.428 42.059 -0.788 0.000 1.401 154 L HN 0.414 nan 8.230 nan 0.000 0.440 155 Y N 1.892 122.164 120.300 -0.048 0.000 2.581 155 Y HA 0.679 5.228 4.550 -0.000 0.000 0.345 155 Y C -0.120 175.945 175.900 0.275 0.000 1.036 155 Y CA -1.361 56.781 58.100 0.071 0.000 1.042 155 Y CB 1.923 40.389 38.460 0.011 0.000 1.289 155 Y HN 0.183 nan 8.280 nan 0.000 0.471 156 L N -0.106 121.320 121.223 0.338 0.000 2.371 156 L HA 0.763 5.103 4.340 -0.000 0.000 0.262 156 L C -1.386 175.580 176.870 0.159 0.000 1.006 156 L CA -1.095 53.854 54.840 0.182 0.000 0.818 156 L CB 1.916 43.957 42.059 -0.030 0.000 1.354 156 L HN 0.434 nan 8.230 nan 0.000 0.415 157 N N 2.317 121.144 118.700 0.213 0.000 2.399 157 N HA 0.650 5.390 4.740 -0.000 0.000 0.295 157 N C -1.121 174.505 175.510 0.194 0.000 1.048 157 N CA -0.176 53.007 53.050 0.221 0.000 0.886 157 N CB 2.482 41.205 38.487 0.392 0.000 1.185 157 N HN 0.664 nan 8.380 nan 0.000 0.487 158 I N 2.030 122.648 120.570 0.079 0.000 2.406 158 I HA 0.295 4.465 4.170 -0.000 0.000 0.290 158 I C -0.894 175.287 176.117 0.107 0.000 0.999 158 I CA -0.756 60.609 61.300 0.108 0.000 1.124 158 I CB 0.906 38.850 38.000 -0.093 0.000 1.289 158 I HN 0.331 nan 8.210 nan 0.000 0.441 159 Y N 5.428 125.857 120.300 0.216 0.000 2.464 159 Y HA 0.478 5.028 4.550 -0.000 0.000 0.326 159 Y C -0.206 175.821 175.900 0.213 0.000 0.969 159 Y CA -0.952 57.288 58.100 0.232 0.000 1.270 159 Y CB 1.476 40.047 38.460 0.186 0.000 1.103 159 Y HN 0.199 nan 8.280 nan 0.000 0.491 160 V N 5.977 126.115 119.914 0.374 0.000 2.435 160 V HA 0.435 4.555 4.120 -0.000 0.000 0.290 160 V C -2.103 174.140 176.094 0.248 0.000 1.030 160 V CA -2.224 60.258 62.300 0.303 0.000 0.881 160 V CB 1.626 33.661 31.823 0.352 0.000 0.983 160 V HN 0.512 nan 8.190 nan 0.000 0.445 161 P HA 0.453 nan 4.420 nan 0.000 0.279 161 P C -0.605 176.768 177.300 0.121 0.000 1.252 161 P CA -0.081 63.102 63.100 0.139 0.000 0.811 161 P CB 1.646 33.409 31.700 0.105 0.000 1.035 187 R N 3.722 124.228 120.500 0.010 0.000 2.690 187 R HA 0.397 4.737 4.340 -0.000 0.000 0.419 187 R C 0.578 176.878 176.300 0.000 0.000 1.090 187 R CA 0.335 56.438 56.100 0.006 0.000 1.064 187 R CB 0.090 30.394 30.300 0.006 0.000 1.391 187 R HN 0.659 nan 8.270 nan 0.000 0.586 188 D N -1.945 118.454 120.400 -0.003 0.000 2.929 188 D HA 0.145 4.785 4.640 -0.000 0.000 0.291 188 D C 0.026 176.319 176.300 -0.012 0.000 1.086 188 D CA 0.080 54.073 54.000 -0.011 0.000 0.971 188 D CB 0.285 41.073 40.800 -0.021 0.000 1.275 188 D HN -0.126 nan 8.370 nan 0.000 0.469 189 S N -0.479 115.216 115.700 -0.009 0.000 2.532 189 S HA 0.668 5.138 4.470 -0.000 0.000 0.299 189 S C -0.213 174.387 174.600 -0.000 0.000 1.105 189 S CA -0.597 57.598 58.200 -0.008 0.000 1.018 189 S CB 2.142 65.334 63.200 -0.015 0.000 1.021 189 S HN 0.444 nan 8.310 nan 0.000 0.483 190 G N 0.712 109.512 108.800 -0.000 0.000 2.415 190 G HA2 0.762 4.722 3.960 -0.000 0.000 0.327 190 G HA3 0.762 4.722 3.960 -0.000 0.000 0.327 190 G C 0.006 174.907 174.900 0.002 0.000 1.182 190 G CA -0.263 44.839 45.100 0.004 0.000 0.924 190 G HN 1.143 nan 8.290 nan 0.000 0.470 191 G N 1.627 110.431 108.800 0.007 0.000 2.381 191 G HA2 0.200 4.159 3.960 -0.000 0.000 0.672 191 G HA3 0.200 4.159 3.960 -0.000 0.000 0.672 191 G C -3.077 171.828 174.900 0.009 0.000 1.324 191 G CA -0.965 44.138 45.100 0.004 0.000 0.975 191 G HN 0.746 nan 8.290 nan 0.000 0.593 192 P HA 0.315 nan 4.420 nan 0.000 0.268 192 P C -0.124 177.181 177.300 0.008 0.000 1.204 192 P CA 0.172 63.278 63.100 0.010 0.000 0.768 192 P CB 0.446 32.145 31.700 -0.002 0.000 0.842 193 K N 4.586 124.999 120.400 0.021 0.000 2.144 193 K HA 0.360 4.680 4.320 -0.000 0.000 0.270 193 K C -2.296 174.311 176.600 0.011 0.000 1.005 193 K CA -1.826 54.472 56.287 0.018 0.000 0.932 193 K CB 0.105 32.628 32.500 0.038 0.000 1.021 193 K HN 0.301 nan 8.250 nan 0.000 0.462 194 P HA 0.010 nan 4.420 nan 0.000 0.271 194 P C -0.937 176.369 177.300 0.009 0.000 1.233 194 P CA -0.299 62.794 63.100 -0.012 0.000 0.789 194 P CB 0.552 32.231 31.700 -0.034 0.000 0.951 195 V N 2.835 122.757 119.914 0.013 0.000 2.483 195 V HA 0.374 4.494 4.120 -0.000 0.000 0.297 195 V C -0.068 176.054 176.094 0.048 0.000 1.027 195 V CA -0.264 62.060 62.300 0.041 0.000 0.855 195 V CB 1.377 33.228 31.823 0.045 0.000 0.995 195 V HN 0.458 nan 8.190 nan 0.000 0.424 196 M N 5.041 124.682 119.600 0.068 0.000 2.044 196 M HA 0.457 4.937 4.480 -0.000 0.000 0.333 196 M C -0.911 175.579 176.300 0.316 0.000 1.004 196 M CA -0.584 54.761 55.300 0.075 0.000 0.954 196 M CB 1.710 34.224 32.600 -0.143 0.000 1.468 196 M HN 0.367 nan 8.290 nan 0.000 0.414 197 V N 4.009 124.121 119.914 0.331 0.000 2.368 197 V HA 0.137 4.257 4.120 -0.000 0.000 0.266 197 V C -0.749 175.562 176.094 0.362 0.000 1.045 197 V CA -0.551 61.923 62.300 0.290 0.000 0.899 197 V CB 0.243 32.120 31.823 0.091 0.000 1.006 197 V HN 0.578 nan 8.190 nan 0.000 0.470 198 Y N 6.225 126.581 120.300 0.093 0.000 2.425 198 Y HA 0.498 5.048 4.550 -0.000 0.000 0.347 198 Y C 0.280 175.997 175.900 -0.304 0.000 0.976 198 Y CA -0.892 56.921 58.100 -0.479 0.000 1.190 198 Y CB 0.719 38.738 38.460 -0.734 0.000 1.136 198 Y HN 0.568 nan 8.280 nan 0.000 0.517 199 I N 8.247 128.291 120.570 -0.876 0.000 2.294 199 I HA 0.065 4.235 4.170 -0.000 0.000 0.295 199 I C 0.560 176.130 176.117 -0.913 0.000 1.098 199 I CA -0.443 60.481 61.300 -0.626 0.000 1.277 199 I CB -0.194 37.516 38.000 -0.483 0.000 1.434 199 I HN 0.645 nan 8.210 nan 0.000 0.498 200 H N 5.878 124.569 119.070 -0.632 0.000 2.660 200 H HA 0.636 5.191 4.556 -0.000 0.000 0.374 200 H C -0.209 175.062 175.328 -0.096 0.000 1.291 200 H CA -0.476 55.300 56.048 -0.453 0.000 1.437 200 H CB 1.398 31.155 29.762 -0.008 0.000 1.509 200 H HN 0.646 nan 8.280 nan 0.000 0.614 201 G N -1.097 107.495 108.800 -0.347 0.000 2.503 201 G HA2 0.419 4.379 3.960 -0.000 0.000 0.305 201 G HA3 0.419 4.379 3.960 -0.000 0.000 0.305 201 G C -0.157 174.590 174.900 -0.255 0.000 1.575 201 G CA -0.148 44.721 45.100 -0.386 0.000 0.890 201 G HN 0.879 nan 8.290 nan 0.000 0.612 202 G N -0.186 108.410 108.800 -0.340 0.000 2.639 202 G HA2 0.455 4.415 3.960 -0.000 0.000 0.201 202 G HA3 0.455 4.415 3.960 -0.000 0.000 0.201 202 G C 1.065 175.679 174.900 -0.477 0.000 1.260 202 G CA 1.392 46.235 45.100 -0.428 0.000 0.749 202 G HN 1.833 nan 8.290 nan 0.000 0.611 203 S N -2.236 113.195 115.700 -0.449 0.000 2.998 203 S HA 0.271 4.741 4.470 -0.000 0.000 0.256 203 S C 0.496 174.913 174.600 -0.305 0.000 0.970 203 S CA 0.324 58.238 58.200 -0.477 0.000 1.238 203 S CB 0.337 63.347 63.200 -0.316 0.000 1.170 203 S HN 0.659 nan 8.310 nan 0.000 0.663 204 Y N -0.026 120.199 120.300 -0.124 0.000 4.866 204 Y HA -0.216 4.334 4.550 -0.000 0.000 0.282 204 Y C 1.374 177.325 175.900 0.085 0.000 0.899 204 Y CA 0.820 58.905 58.100 -0.026 0.000 1.720 204 Y CB -2.042 36.285 38.460 -0.222 0.000 1.107 204 Y HN 0.369 nan 8.280 nan 0.000 0.460 205 M N 0.317 120.003 119.600 0.143 0.000 2.492 205 M HA 0.189 4.669 4.480 -0.000 0.000 0.255 205 M C 0.768 177.120 176.300 0.087 0.000 1.139 205 M CA 1.157 56.536 55.300 0.131 0.000 1.096 205 M CB -0.046 32.614 32.600 0.100 0.000 1.360 205 M HN 0.414 nan 8.290 nan 0.000 0.480 206 E N -0.285 119.946 120.200 0.052 0.000 2.447 206 E HA 0.656 5.006 4.350 -0.000 0.000 0.279 206 E C -0.233 176.469 176.600 0.171 0.000 1.053 206 E CA -0.405 56.056 56.400 0.101 0.000 0.840 206 E CB 1.333 31.112 29.700 0.132 0.000 1.409 206 E HN 0.106 nan 8.360 nan 0.000 0.461 207 G N -0.689 108.273 108.800 0.271 0.000 2.384 207 G HA2 0.363 4.322 3.960 -0.000 0.000 0.668 207 G HA3 0.363 4.322 3.960 -0.000 0.000 0.668 207 G C -1.042 173.892 174.900 0.057 0.000 1.280 207 G CA -0.046 45.287 45.100 0.388 0.000 0.992 207 G HN 1.148 nan 8.290 nan 0.000 0.512 208 T N -1.541 112.792 114.554 -0.367 0.000 3.841 208 T HA 0.567 4.917 4.350 -0.000 0.000 0.428 208 T C 1.146 175.619 174.700 -0.379 0.000 1.447 208 T CA 0.827 62.568 62.100 -0.597 0.000 1.135 208 T CB 0.451 69.171 68.868 -0.247 0.000 1.389 208 T HN 2.216 nan 8.240 nan 0.000 0.461 209 G N 2.894 111.496 108.800 -0.330 0.000 2.653 209 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.212 209 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.212 209 G C 1.067 176.036 174.900 0.114 0.000 1.138 209 G CA 0.580 45.766 45.100 0.143 0.000 0.782 209 G HN 0.712 nan 8.290 nan 0.000 0.535 210 N N 0.086 118.664 118.700 -0.203 0.000 2.396 210 N HA 0.028 4.768 4.740 -0.000 0.000 0.180 210 N C 2.034 177.337 175.510 -0.344 0.000 1.028 210 N CA 0.306 52.977 53.050 -0.632 0.000 0.893 210 N CB -0.103 37.745 38.487 -1.064 0.000 0.967 210 N HN 0.319 nan 8.380 nan 0.000 0.440 211 L N -0.579 120.417 121.223 -0.378 0.000 2.027 211 L HA -0.071 4.269 4.340 -0.000 0.000 0.206 211 L C 0.015 176.622 176.870 -0.437 0.000 1.074 211 L CA 0.847 55.259 54.840 -0.714 0.000 0.745 211 L CB -0.382 41.188 42.059 -0.816 0.000 0.898 211 L HN 0.152 nan 8.230 nan 0.000 0.433 212 Y N 0.404 120.634 120.300 -0.116 0.000 2.584 212 Y HA 0.117 4.667 4.550 -0.000 0.000 0.351 212 Y C 0.063 175.903 175.900 -0.101 0.000 1.030 212 Y CA -0.830 57.185 58.100 -0.142 0.000 1.332 212 Y CB -0.152 38.176 38.460 -0.221 0.000 1.148 212 Y HN -0.046 nan 8.280 nan 0.000 0.528 213 D N 3.421 123.821 120.400 -0.001 0.000 2.428 213 D HA 0.184 4.824 4.640 -0.000 0.000 0.221 213 D C 0.418 176.545 176.300 -0.288 0.000 1.123 213 D CA -0.479 53.496 54.000 -0.041 0.000 0.869 213 D CB 0.849 41.721 40.800 0.119 0.000 1.032 213 D HN 0.756 nan 8.370 nan 0.000 0.506 214 G N 2.651 111.041 108.800 -0.683 0.000 3.636 214 G HA2 0.198 4.158 3.960 -0.000 0.000 0.260 214 G HA3 0.198 4.158 3.960 -0.000 0.000 0.260 214 G C 0.744 175.381 174.900 -0.437 0.000 1.014 214 G CA -0.400 44.398 45.100 -0.504 0.000 1.797 214 G HN 0.409 nan 8.290 nan 0.000 0.637 215 S N -0.086 115.495 115.700 -0.198 0.000 2.452 215 S HA -0.042 4.428 4.470 -0.000 0.000 0.225 215 S C 2.537 177.155 174.600 0.030 0.000 1.057 215 S CA 0.347 58.569 58.200 0.037 0.000 0.949 215 S CB 0.122 63.405 63.200 0.138 0.000 0.836 215 S HN 0.264 nan 8.310 nan 0.000 0.518 216 V N 2.686 122.586 119.914 -0.023 0.000 2.343 216 V HA -0.130 3.990 4.120 -0.000 0.000 0.247 216 V C 2.286 178.397 176.094 0.027 0.000 1.051 216 V CA 1.422 63.711 62.300 -0.019 0.000 1.036 216 V CB -0.751 31.008 31.823 -0.107 0.000 0.654 216 V HN 0.321 nan 8.190 nan 0.000 0.451 217 L N 1.217 122.432 121.223 -0.013 0.000 1.976 217 L HA -0.067 4.273 4.340 -0.000 0.000 0.209 217 L C 2.548 179.458 176.870 0.066 0.000 1.071 217 L CA 2.441 57.299 54.840 0.031 0.000 0.746 217 L CB -1.280 40.775 42.059 -0.007 0.000 0.890 217 L HN 0.207 nan 8.230 nan 0.000 0.432 218 A N -1.318 121.536 122.820 0.056 0.000 1.903 218 A HA -0.308 4.012 4.320 -0.000 0.000 0.219 218 A C 2.510 180.149 177.584 0.092 0.000 1.191 218 A CA 2.575 54.669 52.037 0.094 0.000 0.638 218 A CB -1.380 17.714 19.000 0.157 0.000 0.823 218 A HN 0.615 nan 8.150 nan 0.000 0.451 219 S N -2.119 113.641 115.700 0.100 0.000 2.343 219 S HA -0.193 4.277 4.470 -0.000 0.000 0.212 219 S C 1.892 176.544 174.600 0.088 0.000 1.033 219 S CA 1.472 59.728 58.200 0.095 0.000 1.004 219 S CB -0.714 62.545 63.200 0.099 0.000 0.977 219 S HN 0.670 nan 8.310 nan 0.000 0.427 220 Y N 1.786 122.081 120.300 -0.008 0.000 2.283 220 Y HA -0.106 4.444 4.550 -0.000 0.000 0.285 220 Y C 2.004 177.897 175.900 -0.011 0.000 1.176 220 Y CA 1.604 59.692 58.100 -0.019 0.000 1.229 220 Y CB -0.745 37.689 38.460 -0.044 0.000 0.975 220 Y HN 0.349 nan 8.280 nan 0.000 0.537 221 G N -1.255 107.484 108.800 -0.102 0.000 2.762 221 G HA2 -0.094 3.865 3.960 -0.000 0.000 0.209 221 G HA3 -0.094 3.865 3.960 -0.000 0.000 0.209 221 G C 0.225 175.060 174.900 -0.108 0.000 1.134 221 G CA 0.381 45.384 45.100 -0.162 0.000 0.781 221 G HN 0.428 nan 8.290 nan 0.000 0.528 222 N N -1.217 117.455 118.700 -0.046 0.000 2.862 222 N HA -0.171 4.569 4.740 -0.000 0.000 0.246 222 N C -0.433 175.079 175.510 0.003 0.000 1.101 222 N CA 0.783 53.822 53.050 -0.017 0.000 0.679 222 N CB -1.558 36.903 38.487 -0.044 0.000 0.986 222 N HN 0.881 nan 8.380 nan 0.000 0.557 223 V N -1.976 117.954 119.914 0.027 0.000 3.114 223 V HA 0.725 4.845 4.120 -0.000 0.000 0.308 223 V C 0.504 176.645 176.094 0.078 0.000 1.168 223 V CA -1.174 61.148 62.300 0.036 0.000 1.015 223 V CB 1.931 33.762 31.823 0.014 0.000 1.050 223 V HN 0.135 nan 8.190 nan 0.000 0.433 224 I N 2.299 122.922 120.570 0.088 0.000 2.396 224 I HA 0.544 4.714 4.170 -0.000 0.000 0.292 224 I C -0.452 175.753 176.117 0.147 0.000 0.999 224 I CA -0.685 60.694 61.300 0.132 0.000 1.310 224 I CB 1.703 39.769 38.000 0.110 0.000 1.404 224 I HN 0.447 nan 8.210 nan 0.000 0.496 225 V N 7.539 127.583 119.914 0.216 0.000 2.555 225 V HA 0.480 4.600 4.120 -0.000 0.000 0.302 225 V C -0.121 176.178 176.094 0.343 0.000 1.038 225 V CA -0.508 61.937 62.300 0.242 0.000 0.887 225 V CB 2.076 33.997 31.823 0.163 0.000 0.991 225 V HN 0.461 nan 8.190 nan 0.000 0.434 226 I N 4.012 124.768 120.570 0.309 0.000 2.439 226 I HA 0.355 4.525 4.170 -0.000 0.000 0.283 226 I C 0.207 176.499 176.117 0.291 0.000 1.023 226 I CA -0.369 61.109 61.300 0.296 0.000 1.100 226 I CB 2.175 40.276 38.000 0.169 0.000 1.238 226 I HN 0.699 nan 8.210 nan 0.000 0.445 227 T N 3.601 118.367 114.554 0.354 0.000 2.806 227 T HA 0.683 5.033 4.350 -0.000 0.000 0.290 227 T C -0.241 174.593 174.700 0.224 0.000 0.966 227 T CA -0.559 61.721 62.100 0.300 0.000 1.060 227 T CB 1.710 70.788 68.868 0.351 0.000 0.927 227 T HN 0.194 nan 8.240 nan 0.000 0.485 228 V N 3.046 123.059 119.914 0.164 0.000 2.881 228 V HA 0.572 4.692 4.120 -0.000 0.000 0.316 228 V C -0.261 175.978 176.094 0.241 0.000 1.070 228 V CA -1.133 61.252 62.300 0.142 0.000 0.976 228 V CB 2.063 33.895 31.823 0.014 0.000 1.038 228 V HN 0.905 nan 8.190 nan 0.000 0.446 229 N N 1.525 120.398 118.700 0.288 0.000 2.284 229 N HA 0.661 5.401 4.740 -0.000 0.000 0.300 229 N C -1.419 174.339 175.510 0.414 0.000 1.047 229 N CA -0.327 52.880 53.050 0.262 0.000 0.821 229 N CB 1.981 40.579 38.487 0.185 0.000 1.337 229 N HN 0.716 nan 8.380 nan 0.000 0.482 230 Y N -1.476 118.961 120.300 0.227 0.000 2.597 230 Y HA 0.531 5.081 4.550 -0.000 0.000 0.340 230 Y C -0.105 175.855 175.900 0.100 0.000 1.097 230 Y CA -1.308 56.897 58.100 0.175 0.000 1.037 230 Y CB 0.809 39.363 38.460 0.157 0.000 1.305 230 Y HN 0.176 nan 8.280 nan 0.000 0.463 231 R N 2.511 123.039 120.500 0.047 0.000 2.504 231 R HA 0.239 4.579 4.340 -0.000 0.000 0.291 231 R C -0.543 175.670 176.300 -0.145 0.000 0.974 231 R CA 0.390 56.426 56.100 -0.106 0.000 1.077 231 R CB 0.031 30.244 30.300 -0.145 0.000 0.926 231 R HN 0.689 nan 8.270 nan 0.000 0.407 232 L N 1.553 122.710 121.223 -0.111 0.000 2.464 232 L HA 0.527 4.867 4.340 -0.000 0.000 0.264 232 L C 1.522 178.457 176.870 0.109 0.000 1.062 232 L CA -0.758 54.123 54.840 0.068 0.000 0.935 232 L CB 0.118 42.195 42.059 0.030 0.000 1.603 232 L HN 0.831 nan 8.230 nan 0.000 0.528 233 G N 0.023 108.962 108.800 0.233 0.000 2.596 233 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.334 233 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.334 233 G C 0.910 175.846 174.900 0.060 0.000 1.351 233 G CA 0.706 45.908 45.100 0.169 0.000 0.965 233 G HN 0.484 nan 8.290 nan 0.000 0.533 234 V N 0.713 120.493 119.914 -0.222 0.000 2.255 234 V HA -0.205 3.915 4.120 -0.000 0.000 0.247 234 V C 3.021 179.071 176.094 -0.073 0.000 1.051 234 V CA 2.620 64.656 62.300 -0.441 0.000 1.018 234 V CB -1.030 30.535 31.823 -0.430 0.000 0.641 234 V HN 0.551 nan 8.190 nan 0.000 0.445 235 L N 0.775 121.916 121.223 -0.137 0.000 2.089 235 L HA -0.181 4.159 4.340 -0.000 0.000 0.213 235 L C 2.488 179.236 176.870 -0.205 0.000 1.079 235 L CA 1.941 56.610 54.840 -0.285 0.000 0.758 235 L CB -1.050 40.837 42.059 -0.286 0.000 0.891 235 L HN 0.542 nan 8.230 nan 0.000 0.433 236 G N -1.695 107.003 108.800 -0.171 0.000 2.595 236 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.213 236 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.213 236 G C 0.913 175.442 174.900 -0.618 0.000 1.141 236 G CA 0.014 44.858 45.100 -0.427 0.000 0.806 236 G HN 0.323 nan 8.290 nan 0.000 0.530 237 F N -0.224 119.848 119.950 0.204 0.000 2.781 237 F HA 0.444 4.971 4.527 -0.000 0.000 0.322 237 F C 0.526 176.446 175.800 0.199 0.000 1.108 237 F CA -0.954 57.114 58.000 0.112 0.000 1.179 237 F CB 0.381 39.387 39.000 0.010 0.000 1.072 237 F HN -0.102 nan 8.300 nan 0.000 0.545 238 L N 1.626 123.114 121.223 0.441 0.000 2.534 238 L HA 0.268 4.607 4.340 -0.000 0.000 0.271 238 L C 0.321 177.369 176.870 0.298 0.000 1.178 238 L CA 0.402 55.487 54.840 0.409 0.000 0.907 238 L CB 0.540 42.777 42.059 0.297 0.000 1.164 238 L HN 0.184 nan 8.230 nan 0.000 0.482 239 S N 1.787 117.616 115.700 0.215 0.000 2.599 239 S HA 0.516 4.986 4.470 -0.000 0.000 0.294 239 S C 0.579 175.224 174.600 0.075 0.000 1.094 239 S CA -0.056 58.202 58.200 0.098 0.000 0.931 239 S CB 1.902 65.125 63.200 0.037 0.000 1.093 239 S HN 0.750 nan 8.310 nan 0.000 0.488 240 T N -0.229 114.342 114.554 0.030 0.000 3.069 240 T HA 0.439 4.789 4.350 -0.000 0.000 0.252 240 T C 1.446 176.153 174.700 0.013 0.000 1.053 240 T CA 0.680 62.788 62.100 0.015 0.000 0.964 240 T CB 0.066 68.928 68.868 -0.010 0.000 1.005 240 T HN 1.668 nan 8.240 nan 0.000 0.532 241 G N 2.268 111.076 108.800 0.013 0.000 2.320 241 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.242 241 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.242 241 G C 0.018 174.920 174.900 0.004 0.000 1.033 241 G CA 0.447 45.551 45.100 0.006 0.000 0.620 241 G HN 0.848 nan 8.290 nan 0.000 0.517 242 D N -1.032 119.372 120.400 0.006 0.000 2.636 242 D HA 0.561 5.201 4.640 -0.000 0.000 0.236 242 D C 1.322 177.630 176.300 0.014 0.000 1.176 242 D CA 0.049 54.054 54.000 0.008 0.000 1.081 242 D CB -0.324 40.480 40.800 0.007 0.000 1.213 242 D HN -0.008 nan 8.370 nan 0.000 0.633 243 Q N -0.526 119.284 119.800 0.018 0.000 2.230 243 Q HA 0.161 4.500 4.340 -0.000 0.000 0.202 243 Q C 1.906 177.926 176.000 0.033 0.000 0.963 243 Q CA 1.891 57.710 55.803 0.028 0.000 0.866 243 Q CB -0.807 27.948 28.738 0.028 0.000 0.931 243 Q HN 0.537 nan 8.270 nan 0.000 0.452 244 A N -0.006 122.825 122.820 0.017 0.000 1.915 244 A HA 0.038 4.358 4.320 -0.000 0.000 0.220 244 A C 0.944 178.538 177.584 0.018 0.000 1.198 244 A CA 1.676 53.716 52.037 0.005 0.000 0.647 244 A CB -0.570 18.418 19.000 -0.020 0.000 0.825 244 A HN 0.444 nan 8.150 nan 0.000 0.456 245 A N -1.653 121.189 122.820 0.035 0.000 2.466 245 A HA 0.601 4.921 4.320 -0.000 0.000 0.284 245 A C -0.038 177.605 177.584 0.098 0.000 1.049 245 A CA -0.526 51.583 52.037 0.120 0.000 0.760 245 A CB 0.870 19.887 19.000 0.029 0.000 1.274 245 A HN 0.213 nan 8.150 nan 0.000 0.412 246 K N 2.066 122.521 120.400 0.092 0.000 2.500 246 K HA 0.331 4.651 4.320 -0.000 0.000 0.206 246 K C 1.273 177.702 176.600 -0.284 0.000 1.034 246 K CA 0.412 56.663 56.287 -0.059 0.000 1.179 246 K CB 0.282 32.760 32.500 -0.037 0.000 0.884 246 K HN 1.321 nan 8.250 nan 0.000 0.493 247 G N 2.658 111.179 108.800 -0.466 0.000 2.564 247 G HA2 -0.409 3.551 3.960 -0.000 0.000 0.309 247 G HA3 -0.409 3.551 3.960 -0.000 0.000 0.309 247 G C 0.140 174.436 174.900 -1.006 0.000 1.320 247 G CA 0.247 44.875 45.100 -0.787 0.000 0.941 247 G HN 0.562 nan 8.290 nan 0.000 0.543 248 N N -1.962 116.482 118.700 -0.426 0.000 2.681 248 N HA -0.231 4.509 4.740 -0.000 0.000 0.250 248 N C 0.923 176.234 175.510 -0.331 0.000 1.133 248 N CA 1.868 54.779 53.050 -0.232 0.000 0.732 248 N CB -1.190 37.157 38.487 -0.234 0.000 1.107 248 N HN 0.613 nan 8.380 nan 0.000 0.559 249 Y N -0.017 120.180 120.300 -0.171 0.000 2.145 249 Y HA -0.038 4.512 4.550 -0.000 0.000 0.286 249 Y C 2.637 178.393 175.900 -0.239 0.000 1.145 249 Y CA 1.514 59.498 58.100 -0.193 0.000 1.148 249 Y CB -0.788 37.559 38.460 -0.187 0.000 0.981 249 Y HN 0.232 nan 8.280 nan 0.000 0.507 250 G N -0.237 108.332 108.800 -0.385 0.000 2.448 250 G HA2 -0.183 3.776 3.960 -0.000 0.000 0.219 250 G HA3 -0.183 3.776 3.960 -0.000 0.000 0.219 250 G C 1.712 176.620 174.900 0.014 0.000 1.127 250 G CA 0.761 45.767 45.100 -0.157 0.000 0.766 250 G HN 0.353 nan 8.290 nan 0.000 0.552 251 L N -0.397 120.834 121.223 0.014 0.000 2.072 251 L HA 0.068 4.408 4.340 -0.000 0.000 0.205 251 L C 2.852 179.695 176.870 -0.044 0.000 1.079 251 L CA 0.529 55.356 54.840 -0.022 0.000 0.752 251 L CB -0.285 41.763 42.059 -0.020 0.000 0.906 251 L HN 0.195 nan 8.230 nan 0.000 0.436 252 L N -0.599 120.603 121.223 -0.035 0.000 2.131 252 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 252 L C 2.194 179.109 176.870 0.073 0.000 1.092 252 L CA 0.911 55.755 54.840 0.005 0.000 0.759 252 L CB -0.560 41.503 42.059 0.007 0.000 0.903 252 L HN 0.273 nan 8.230 nan 0.000 0.435 253 D N 0.183 120.638 120.400 0.091 0.000 2.097 253 D HA -0.169 4.471 4.640 -0.000 0.000 0.195 253 D C 2.386 178.791 176.300 0.175 0.000 0.989 253 D CA 1.228 55.348 54.000 0.200 0.000 0.827 253 D CB -0.166 40.780 40.800 0.242 0.000 0.966 253 D HN 0.272 nan 8.370 nan 0.000 0.456 254 L N 0.604 121.835 121.223 0.013 0.000 2.079 254 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 254 L C 2.523 179.345 176.870 -0.080 0.000 1.081 254 L CA 0.719 55.484 54.840 -0.124 0.000 0.752 254 L CB -0.289 41.608 42.059 -0.270 0.000 0.896 254 L HN 0.052 nan 8.230 nan 0.000 0.433 255 I N -0.729 119.843 120.570 0.002 0.000 2.286 255 I HA -0.252 3.918 4.170 -0.000 0.000 0.245 255 I C 2.623 178.803 176.117 0.106 0.000 1.104 255 I CA 0.780 62.118 61.300 0.065 0.000 1.397 255 I CB -0.253 37.820 38.000 0.122 0.000 1.072 255 I HN 0.288 nan 8.210 nan 0.000 0.417 256 Q N 1.724 121.614 119.800 0.148 0.000 2.135 256 Q HA -0.174 4.166 4.340 -0.000 0.000 0.204 256 Q C 2.128 178.264 176.000 0.226 0.000 0.981 256 Q CA 2.279 58.222 55.803 0.234 0.000 0.856 256 Q CB -0.351 28.569 28.738 0.303 0.000 0.902 256 Q HN 0.488 nan 8.270 nan 0.000 0.425 257 A N -0.005 122.782 122.820 -0.054 0.000 1.902 257 A HA -0.111 4.208 4.320 -0.000 0.000 0.217 257 A C 2.128 179.696 177.584 -0.026 0.000 1.181 257 A CA 1.407 53.191 52.037 -0.422 0.000 0.623 257 A CB -0.700 17.791 19.000 -0.847 0.000 0.818 257 A HN 0.448 nan 8.150 nan 0.000 0.443 258 L N -1.107 120.120 121.223 0.006 0.000 2.093 258 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 258 L C 2.883 179.839 176.870 0.144 0.000 1.085 258 L CA 0.897 55.783 54.840 0.075 0.000 0.755 258 L CB -0.510 41.592 42.059 0.070 0.000 0.904 258 L HN 0.320 nan 8.230 nan 0.000 0.435 259 R N -0.573 120.029 120.500 0.170 0.000 2.070 259 R HA -0.221 4.119 4.340 -0.000 0.000 0.233 259 R C 1.995 178.407 176.300 0.185 0.000 1.137 259 R CA 1.859 58.058 56.100 0.164 0.000 0.945 259 R CB -1.019 29.390 30.300 0.181 0.000 0.845 259 R HN 0.424 nan 8.270 nan 0.000 0.430 260 W N 2.108 123.478 121.300 0.116 0.000 2.318 260 W HA -0.254 4.405 4.660 -0.000 0.000 0.313 260 W C 2.077 178.642 176.519 0.076 0.000 1.221 260 W CA 2.445 59.888 57.345 0.164 0.000 1.266 260 W CB -0.394 29.206 29.460 0.234 0.000 1.150 260 W HN 0.041 nan 8.180 nan 0.000 0.496 261 T N -0.786 113.996 114.554 0.381 0.000 2.674 261 T HA -0.270 4.080 4.350 -0.000 0.000 0.265 261 T C 1.900 176.569 174.700 -0.052 0.000 1.039 261 T CA 1.899 64.115 62.100 0.194 0.000 1.150 261 T CB -1.061 67.919 68.868 0.186 0.000 0.864 261 T HN 0.167 nan 8.240 nan 0.000 0.427 262 S N 0.529 116.223 115.700 -0.009 0.000 2.440 262 S HA -0.145 4.325 4.470 -0.000 0.000 0.240 262 S C 1.902 176.406 174.600 -0.160 0.000 1.014 262 S CA 1.285 59.453 58.200 -0.054 0.000 0.980 262 S CB -0.290 62.913 63.200 0.005 0.000 0.775 262 S HN 0.585 nan 8.310 nan 0.000 0.499 263 E N -0.282 119.772 120.200 -0.242 0.000 2.201 263 E HA 0.107 4.456 4.350 -0.000 0.000 0.193 263 E C 1.304 177.543 176.600 -0.602 0.000 0.957 263 E CA 0.593 56.783 56.400 -0.350 0.000 0.858 263 E CB 0.023 29.550 29.700 -0.288 0.000 0.816 263 E HN 0.453 nan 8.360 nan 0.000 0.475 264 N N 0.325 118.588 118.700 -0.729 0.000 2.294 264 N HA 0.039 4.778 4.740 -0.000 0.000 0.186 264 N C 1.301 176.516 175.510 -0.491 0.000 1.107 264 N CA 0.035 52.597 53.050 -0.814 0.000 0.884 264 N CB 0.301 38.172 38.487 -1.026 0.000 1.030 264 N HN -0.024 nan 8.380 nan 0.000 0.482 265 I N 1.187 121.521 120.570 -0.392 0.000 2.800 265 I HA -0.047 4.123 4.170 -0.000 0.000 0.266 265 I C 1.845 177.928 176.117 -0.057 0.000 1.249 265 I CA 0.576 61.774 61.300 -0.170 0.000 1.458 265 I CB -0.655 37.278 38.000 -0.111 0.000 1.093 265 I HN 0.183 nan 8.210 nan 0.000 0.466 266 G N -0.109 108.529 108.800 -0.270 0.000 2.418 266 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 266 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 266 G C 1.334 176.202 174.900 -0.053 0.000 1.158 266 G CA 0.504 45.463 45.100 -0.235 0.000 0.771 266 G HN 0.379 nan 8.290 nan 0.000 0.545 267 F N 0.119 120.125 119.950 0.094 0.000 2.494 267 F HA 0.189 4.716 4.527 -0.000 0.000 0.298 267 F C 1.574 177.341 175.800 -0.054 0.000 1.106 267 F CA -0.149 57.855 58.000 0.005 0.000 1.452 267 F CB -0.639 38.316 39.000 -0.075 0.000 1.085 267 F HN 0.137 nan 8.300 nan 0.000 0.569 268 F N -0.998 118.993 119.950 0.069 0.000 2.653 268 F HA 0.421 4.947 4.527 -0.000 0.000 0.304 268 F C 1.785 177.603 175.800 0.029 0.000 1.092 268 F CA 0.327 58.335 58.000 0.014 0.000 1.279 268 F CB 0.283 39.236 39.000 -0.078 0.000 1.044 268 F HN 0.031 nan 8.300 nan 0.000 0.564 269 G N 0.490 109.402 108.800 0.187 0.000 2.176 269 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.232 269 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.232 269 G C 0.612 175.563 174.900 0.086 0.000 0.986 269 G CA -0.336 44.833 45.100 0.115 0.000 0.643 269 G HN 0.665 nan 8.290 nan 0.000 0.522 270 G N -0.369 108.485 108.800 0.090 0.000 2.539 270 G HA2 0.456 4.416 3.960 -0.000 0.000 0.258 270 G HA3 0.456 4.416 3.960 -0.000 0.000 0.258 270 G C -0.615 174.284 174.900 -0.001 0.000 1.202 270 G CA 0.461 45.586 45.100 0.040 0.000 0.851 270 G HN 0.288 nan 8.290 nan 0.000 0.556 271 D N 1.130 121.525 120.400 -0.008 0.000 2.473 271 D HA 0.278 4.918 4.640 -0.000 0.000 0.226 271 D C -1.187 175.095 176.300 -0.029 0.000 1.089 271 D CA -2.394 51.591 54.000 -0.024 0.000 0.883 271 D CB 1.688 42.476 40.800 -0.020 0.000 1.029 271 D HN 0.078 nan 8.370 nan 0.000 0.517 272 P HA -0.074 nan 4.420 nan 0.000 0.236 272 P C 0.936 178.221 177.300 -0.025 0.000 1.172 272 P CA 0.462 63.536 63.100 -0.043 0.000 0.759 272 P CB 0.334 31.983 31.700 -0.085 0.000 0.843 273 L N -1.198 120.007 121.223 -0.030 0.000 2.640 273 L HA 0.224 4.564 4.340 -0.000 0.000 0.230 273 L C 1.253 178.104 176.870 -0.030 0.000 1.123 273 L CA 0.144 54.965 54.840 -0.033 0.000 0.900 273 L CB 0.113 42.147 42.059 -0.041 0.000 1.146 273 L HN -0.163 nan 8.230 nan 0.000 0.484 274 R N 0.585 121.073 120.500 -0.020 0.000 2.647 274 R HA 0.381 4.721 4.340 -0.000 0.000 0.295 274 R C -0.739 175.560 176.300 -0.002 0.000 1.267 274 R CA -0.160 55.922 56.100 -0.029 0.000 1.386 274 R CB 0.909 31.178 30.300 -0.051 0.000 1.309 274 R HN 0.103 nan 8.270 nan 0.000 0.692 275 I N 1.113 121.713 120.570 0.050 0.000 2.325 275 I HA 0.227 4.397 4.170 -0.000 0.000 0.291 275 I C 0.120 176.324 176.117 0.144 0.000 1.019 275 I CA -0.125 61.232 61.300 0.096 0.000 1.302 275 I CB 1.808 39.894 38.000 0.143 0.000 1.401 275 I HN -0.004 nan 8.210 nan 0.000 0.485 276 T N 6.134 120.745 114.554 0.096 0.000 2.791 276 T HA 0.366 4.716 4.350 -0.000 0.000 0.288 276 T C -0.134 174.647 174.700 0.135 0.000 0.999 276 T CA -0.576 61.592 62.100 0.115 0.000 0.952 276 T CB 1.242 70.120 68.868 0.016 0.000 0.938 276 T HN 0.391 nan 8.240 nan 0.000 0.444 277 V N 2.834 122.805 119.914 0.095 0.000 2.432 277 V HA 0.869 4.989 4.120 -0.000 0.000 0.275 277 V C -0.444 175.774 176.094 0.206 0.000 1.043 277 V CA -0.967 61.355 62.300 0.038 0.000 0.925 277 V CB -0.113 31.479 31.823 -0.384 0.000 0.985 277 V HN 0.808 nan 8.190 nan 0.000 0.466 278 F N 1.926 121.857 119.950 -0.030 0.000 2.613 278 F HA 1.071 5.597 4.527 -0.000 0.000 0.314 278 F C 0.068 175.824 175.800 -0.074 0.000 1.075 278 F CA -0.471 57.547 58.000 0.029 0.000 0.945 278 F CB 2.159 41.273 39.000 0.190 0.000 1.310 278 F HN 0.946 nan 8.300 nan 0.000 0.467 279 G N 0.269 108.976 108.800 -0.156 0.000 2.576 279 G HA2 0.467 4.426 3.960 -0.000 0.000 0.290 279 G HA3 0.467 4.426 3.960 -0.000 0.000 0.290 279 G C -2.292 172.571 174.900 -0.061 0.000 1.442 279 G CA -0.860 43.940 45.100 -0.501 0.000 0.792 279 G HN 0.815 nan 8.290 nan 0.000 0.491 280 S N -0.833 114.849 115.700 -0.030 0.000 2.503 280 S HA 0.713 5.183 4.470 -0.000 0.000 0.301 280 S C 1.087 175.751 174.600 0.107 0.000 1.087 280 S CA 1.259 59.551 58.200 0.153 0.000 1.042 280 S CB 0.826 64.196 63.200 0.283 0.000 1.043 280 S HN 2.587 nan 8.310 nan 0.000 0.489 281 G N 3.655 112.602 108.800 0.245 0.000 2.634 281 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.309 281 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.309 281 G C 1.256 176.169 174.900 0.022 0.000 1.265 281 G CA 0.632 45.906 45.100 0.289 0.000 0.998 281 G HN 1.789 nan 8.290 nan 0.000 0.551 282 A N -0.381 122.353 122.820 -0.143 0.000 1.997 282 A HA 0.063 4.383 4.320 -0.000 0.000 0.221 282 A C 2.977 180.394 177.584 -0.278 0.000 1.172 282 A CA 3.146 54.945 52.037 -0.396 0.000 0.645 282 A CB -1.252 17.345 19.000 -0.672 0.000 0.813 282 A HN 2.206 nan 8.150 nan 0.000 0.454 283 G N -0.753 107.910 108.800 -0.229 0.000 2.414 283 G HA2 0.043 4.003 3.960 -0.000 0.000 0.215 283 G HA3 0.043 4.003 3.960 -0.000 0.000 0.215 283 G C 1.549 176.320 174.900 -0.216 0.000 1.188 283 G CA 1.105 46.038 45.100 -0.278 0.000 0.783 283 G HN 0.801 nan 8.290 nan 0.000 0.537 284 G N 0.297 109.018 108.800 -0.131 0.000 2.501 284 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.220 284 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.220 284 G C 2.004 176.865 174.900 -0.064 0.000 1.114 284 G CA 1.365 46.421 45.100 -0.073 0.000 0.757 284 G HN 0.426 nan 8.290 nan 0.000 0.559 285 S N -0.444 115.221 115.700 -0.059 0.000 2.371 285 S HA -0.121 4.349 4.470 -0.000 0.000 0.224 285 S C 2.490 177.072 174.600 -0.031 0.000 1.029 285 S CA 1.007 59.193 58.200 -0.023 0.000 0.978 285 S CB -0.336 62.870 63.200 0.010 0.000 0.833 285 S HN 0.564 nan 8.310 nan 0.000 0.466 286 C N 1.159 120.423 119.300 -0.059 0.000 2.436 286 C HA -0.016 4.444 4.460 -0.000 0.000 0.277 286 C C 2.619 177.528 174.990 -0.134 0.000 1.241 286 C CA 0.309 59.268 59.018 -0.098 0.000 1.721 286 C CB -1.394 26.232 27.740 -0.189 0.000 2.043 286 C HN 0.391 nan 8.230 nan 0.000 0.472 287 V N 1.559 121.375 119.914 -0.164 0.000 2.250 287 V HA -0.346 3.774 4.120 -0.000 0.000 0.253 287 V C 2.067 178.095 176.094 -0.110 0.000 1.065 287 V CA 2.663 64.862 62.300 -0.168 0.000 1.039 287 V CB -0.979 30.763 31.823 -0.135 0.000 0.647 287 V HN 0.595 nan 8.190 nan 0.000 0.446 288 N N -0.501 118.150 118.700 -0.082 0.000 2.084 288 N HA -0.107 4.633 4.740 -0.000 0.000 0.190 288 N C 1.776 177.258 175.510 -0.046 0.000 1.030 288 N CA 1.198 54.211 53.050 -0.062 0.000 0.849 288 N CB -0.206 38.249 38.487 -0.053 0.000 1.012 288 N HN 0.374 nan 8.380 nan 0.000 0.423 289 L N 0.659 121.855 121.223 -0.046 0.000 2.083 289 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 289 L C 2.046 178.911 176.870 -0.009 0.000 1.083 289 L CA 0.756 55.575 54.840 -0.036 0.000 0.752 289 L CB -0.398 41.629 42.059 -0.053 0.000 0.899 289 L HN 0.274 nan 8.230 nan 0.000 0.433 290 L N -0.311 120.904 121.223 -0.014 0.000 2.079 290 L HA -0.208 4.132 4.340 -0.000 0.000 0.210 290 L C 2.646 179.620 176.870 0.175 0.000 1.081 290 L CA 1.965 56.837 54.840 0.055 0.000 0.752 290 L CB -0.955 41.091 42.059 -0.022 0.000 0.896 290 L HN 0.488 nan 8.230 nan 0.000 0.433 291 T N -3.181 111.439 114.554 0.109 0.000 3.118 291 T HA 0.002 4.352 4.350 -0.000 0.000 0.260 291 T C 1.561 176.352 174.700 0.152 0.000 1.139 291 T CA 0.477 62.614 62.100 0.062 0.000 1.085 291 T CB -0.088 68.639 68.868 -0.234 0.000 0.934 291 T HN 0.261 nan 8.240 nan 0.000 0.518 292 L N 0.372 121.660 121.223 0.108 0.000 2.556 292 L HA 0.324 4.663 4.340 -0.000 0.000 0.226 292 L C 1.375 178.325 176.870 0.132 0.000 1.089 292 L CA -0.211 54.700 54.840 0.118 0.000 0.864 292 L CB 0.186 42.274 42.059 0.049 0.000 1.067 292 L HN 0.183 nan 8.230 nan 0.000 0.477 293 S N -0.655 115.121 115.700 0.126 0.000 2.537 293 S HA 0.072 4.542 4.470 -0.000 0.000 0.275 293 S C 1.101 175.817 174.600 0.194 0.000 1.272 293 S CA -0.486 57.787 58.200 0.122 0.000 1.050 293 S CB 0.724 63.953 63.200 0.049 0.000 0.961 293 S HN 0.506 nan 8.310 nan 0.000 0.496 294 H N 3.543 122.745 119.070 0.219 0.000 2.546 294 H HA 0.056 4.611 4.556 -0.000 0.000 0.277 294 H C 0.760 176.203 175.328 0.191 0.000 1.004 294 H CA 1.359 57.512 56.048 0.176 0.000 1.231 294 H CB -0.396 29.442 29.762 0.126 0.000 1.382 294 H HN 0.697 nan 8.280 nan 0.000 0.580 295 Y N 0.973 121.057 120.300 -0.360 0.000 2.574 295 Y HA 0.087 4.636 4.550 -0.000 0.000 0.294 295 Y C 0.736 176.637 175.900 0.002 0.000 1.142 295 Y CA 0.527 58.492 58.100 -0.225 0.000 1.314 295 Y CB 0.175 38.501 38.460 -0.224 0.000 0.991 295 Y HN 0.164 nan 8.280 nan 0.000 0.555 296 S N 2.126 117.949 115.700 0.204 0.000 2.592 296 S HA 0.106 4.576 4.470 -0.000 0.000 0.305 296 S C 0.215 174.899 174.600 0.139 0.000 1.118 296 S CA -0.851 57.491 58.200 0.237 0.000 1.075 296 S CB -0.105 63.318 63.200 0.371 0.000 1.107 296 S HN 0.275 nan 8.310 nan 0.000 0.503 307 G N 2.389 111.089 108.800 -0.166 0.000 2.268 307 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.240 307 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.240 307 G C 0.662 175.529 174.900 -0.054 0.000 1.010 307 G CA 0.306 45.342 45.100 -0.108 0.000 0.618 307 G HN 0.592 nan 8.290 nan 0.000 0.516 308 L N 1.052 122.260 121.223 -0.024 0.000 1.951 308 L HA 0.295 4.635 4.340 -0.000 0.000 0.222 308 L C 1.294 178.284 176.870 0.200 0.000 1.078 308 L CA 2.806 57.710 54.840 0.107 0.000 0.778 308 L CB -0.801 41.385 42.059 0.210 0.000 0.893 308 L HN 0.799 nan 8.230 nan 0.000 0.436 309 F N -3.519 116.491 119.950 0.100 0.000 2.577 309 F HA 0.618 5.144 4.527 -0.000 0.000 0.318 309 F C 0.660 176.547 175.800 0.145 0.000 1.065 309 F CA -0.898 57.169 58.000 0.113 0.000 0.929 309 F CB 1.037 40.118 39.000 0.136 0.000 1.237 309 F HN -0.119 nan 8.300 nan 0.000 0.468 310 Q N 0.823 120.739 119.800 0.193 0.000 2.396 310 Q HA 0.356 4.695 4.340 -0.000 0.000 0.220 310 Q C -0.237 175.885 176.000 0.204 0.000 0.900 310 Q CA 0.744 56.587 55.803 0.066 0.000 0.925 310 Q CB 0.390 29.118 28.738 -0.016 0.000 1.065 310 Q HN 0.674 nan 8.270 nan 0.000 0.535 311 R N -0.695 119.984 120.500 0.299 0.000 2.888 311 R HA 0.883 5.223 4.340 -0.000 0.000 0.264 311 R C -1.290 175.241 176.300 0.385 0.000 1.045 311 R CA -0.894 55.364 56.100 0.262 0.000 0.962 311 R CB 1.856 32.106 30.300 -0.083 0.000 1.210 311 R HN -0.006 nan 8.270 nan 0.000 0.479 312 A N 1.399 124.422 122.820 0.337 0.000 2.520 312 A HA 0.661 4.981 4.320 -0.000 0.000 0.298 312 A C -1.151 176.502 177.584 0.116 0.000 1.051 312 A CA -0.680 51.477 52.037 0.200 0.000 0.690 312 A CB 1.265 20.311 19.000 0.075 0.000 1.281 312 A HN 0.618 nan 8.150 nan 0.000 0.402 313 I N 1.893 122.511 120.570 0.080 0.000 2.439 313 I HA 0.518 4.688 4.170 -0.000 0.000 0.283 313 I C 0.274 176.433 176.117 0.069 0.000 1.023 313 I CA -0.458 60.826 61.300 -0.028 0.000 1.100 313 I CB 1.980 39.945 38.000 -0.058 0.000 1.238 313 I HN 0.741 nan 8.210 nan 0.000 0.445 314 A N 6.570 129.392 122.820 0.003 0.000 2.394 314 A HA 0.521 4.841 4.320 -0.000 0.000 0.333 314 A C -0.313 177.319 177.584 0.080 0.000 1.397 314 A CA -0.490 51.561 52.037 0.023 0.000 0.884 314 A CB 0.205 19.179 19.000 -0.043 0.000 1.147 314 A HN 0.720 nan 8.150 nan 0.000 0.505 315 Q N 1.558 121.473 119.800 0.192 0.000 2.314 315 Q HA 0.415 4.755 4.340 -0.000 0.000 0.257 315 Q C 0.048 176.170 176.000 0.204 0.000 0.975 315 Q CA -0.316 55.655 55.803 0.280 0.000 0.933 315 Q CB 0.810 29.780 28.738 0.386 0.000 1.195 315 Q HN 0.778 nan 8.270 nan 0.000 0.426 316 S N 1.265 117.043 115.700 0.129 0.000 3.524 316 S HA -0.140 4.330 4.470 -0.000 0.000 0.377 316 S C -0.004 174.778 174.600 0.303 0.000 0.949 316 S CA 0.470 58.776 58.200 0.176 0.000 1.264 316 S CB -1.241 62.067 63.200 0.180 0.000 0.918 316 S HN 0.999 nan 8.310 nan 0.000 0.517 317 G N -0.121 108.794 108.800 0.191 0.000 2.633 317 G HA2 0.601 4.561 3.960 -0.000 0.000 0.299 317 G HA3 0.601 4.561 3.960 -0.000 0.000 0.299 317 G C -0.799 174.122 174.900 0.036 0.000 1.501 317 G CA 0.156 45.339 45.100 0.138 0.000 0.887 317 G HN 0.856 nan 8.290 nan 0.000 0.561 318 T N -1.623 112.931 114.554 -0.000 0.000 2.778 318 T HA 0.734 5.083 4.350 -0.000 0.000 0.293 318 T C 0.919 175.596 174.700 -0.038 0.000 1.144 318 T CA 0.217 62.295 62.100 -0.036 0.000 1.010 318 T CB 1.616 70.446 68.868 -0.063 0.000 1.325 318 T HN 1.648 nan 8.240 nan 0.000 0.515 319 A N -0.383 122.409 122.820 -0.047 0.000 2.275 319 A HA 0.462 4.782 4.320 -0.000 0.000 0.212 319 A C 1.695 179.249 177.584 -0.051 0.000 1.201 319 A CA -0.059 51.955 52.037 -0.039 0.000 0.843 319 A CB -0.732 18.242 19.000 -0.043 0.000 0.873 319 A HN 0.716 nan 8.150 nan 0.000 0.492 320 L N 0.459 121.630 121.223 -0.087 0.000 2.554 320 L HA 0.075 4.415 4.340 -0.000 0.000 0.225 320 L C 1.138 177.876 176.870 -0.221 0.000 1.104 320 L CA 0.199 54.966 54.840 -0.122 0.000 0.866 320 L CB -0.104 41.883 42.059 -0.120 0.000 1.047 320 L HN 0.425 nan 8.230 nan 0.000 0.468 321 S N -0.505 115.025 115.700 -0.283 0.000 2.584 321 S HA -0.000 4.470 4.470 -0.000 0.000 0.270 321 S C 1.462 175.747 174.600 -0.525 0.000 1.346 321 S CA -0.055 57.820 58.200 -0.542 0.000 1.018 321 S CB 1.220 64.009 63.200 -0.685 0.000 0.899 321 S HN 0.315 nan 8.310 nan 0.000 0.542 322 S N 0.198 115.414 115.700 -0.808 0.000 2.419 322 S HA -0.133 4.337 4.470 -0.000 0.000 0.233 322 S C 0.992 175.322 174.600 -0.450 0.000 1.016 322 S CA 0.921 58.705 58.200 -0.693 0.000 0.974 322 S CB -0.824 61.804 63.200 -0.953 0.000 0.786 322 S HN 1.022 nan 8.310 nan 0.000 0.492 323 W N 0.660 121.777 121.300 -0.305 0.000 3.102 323 W HA 0.851 5.511 4.660 -0.000 0.000 0.401 323 W C 1.304 177.781 176.519 -0.070 0.000 1.070 323 W CA -1.279 55.957 57.345 -0.182 0.000 1.921 323 W CB -0.752 28.582 29.460 -0.210 0.000 1.118 323 W HN 0.239 nan 8.180 nan 0.000 0.647 324 A N 0.164 123.113 122.820 0.216 0.000 2.081 324 A HA 0.420 4.740 4.320 -0.000 0.000 0.214 324 A C 0.466 178.111 177.584 0.101 0.000 1.158 324 A CA 0.871 53.033 52.037 0.209 0.000 0.724 324 A CB 0.014 19.059 19.000 0.075 0.000 0.826 324 A HN 0.052 nan 8.150 nan 0.000 0.463 325 V N -0.932 118.985 119.914 0.005 0.000 3.007 325 V HA 0.520 4.640 4.120 -0.000 0.000 0.311 325 V C -0.413 175.505 176.094 -0.294 0.000 1.120 325 V CA -0.652 61.477 62.300 -0.284 0.000 0.980 325 V CB 1.956 33.436 31.823 -0.571 0.000 1.033 325 V HN 0.148 nan 8.190 nan 0.000 0.429 326 S N 1.286 116.753 115.700 -0.389 0.000 2.429 326 S HA 0.594 5.064 4.470 -0.000 0.000 0.302 326 S C -0.142 174.277 174.600 -0.303 0.000 1.115 326 S CA -0.384 57.714 58.200 -0.170 0.000 1.095 326 S CB 0.281 63.420 63.200 -0.100 0.000 0.987 326 S HN 0.475 nan 8.310 nan 0.000 0.474 327 F N 2.437 122.410 119.950 0.039 0.000 2.695 327 F HA 0.363 4.890 4.527 -0.000 0.000 0.303 327 F C 1.265 177.074 175.800 0.016 0.000 1.091 327 F CA -0.241 57.770 58.000 0.019 0.000 1.300 327 F CB 0.344 39.351 39.000 0.012 0.000 1.071 327 F HN 0.518 nan 8.300 nan 0.000 0.578 328 Q N 1.153 121.067 119.800 0.190 0.000 2.928 328 Q HA 0.169 4.509 4.340 -0.000 0.000 0.353 328 Q C -1.839 174.216 176.000 0.091 0.000 0.870 328 Q CA -1.427 54.428 55.803 0.085 0.000 0.963 328 Q CB 1.018 29.759 28.738 0.005 0.000 1.419 328 Q HN 0.022 nan 8.270 nan 0.000 0.396 329 P HA -0.185 nan 4.420 nan 0.000 0.219 329 P C 0.898 178.247 177.300 0.081 0.000 1.150 329 P CA 1.187 64.338 63.100 0.085 0.000 0.814 329 P CB 0.499 32.228 31.700 0.048 0.000 0.787 330 A N 1.225 124.061 122.820 0.026 0.000 1.840 330 A HA -0.158 4.162 4.320 -0.000 0.000 0.214 330 A C 2.470 180.033 177.584 -0.035 0.000 1.198 330 A CA 2.047 54.089 52.037 0.007 0.000 0.608 330 A CB -1.405 17.587 19.000 -0.013 0.000 0.839 330 A HN 0.130 nan 8.150 nan 0.000 0.443 331 K N -1.400 118.921 120.400 -0.132 0.000 2.052 331 K HA -0.268 4.052 4.320 -0.000 0.000 0.215 331 K C 1.706 178.132 176.600 -0.290 0.000 1.053 331 K CA 2.435 58.555 56.287 -0.278 0.000 0.934 331 K CB -0.484 31.718 32.500 -0.497 0.000 0.717 331 K HN 0.512 nan 8.250 nan 0.000 0.450 332 Y N -0.171 120.080 120.300 -0.081 0.000 2.561 332 Y HA 0.102 4.651 4.550 -0.000 0.000 0.291 332 Y C 2.167 178.085 175.900 0.030 0.000 1.141 332 Y CA 0.546 58.558 58.100 -0.148 0.000 1.303 332 Y CB -0.232 37.955 38.460 -0.456 0.000 1.015 332 Y HN 0.246 nan 8.280 nan 0.000 0.547 333 A N 0.360 123.314 122.820 0.223 0.000 1.874 333 A HA -0.101 4.218 4.320 -0.000 0.000 0.214 333 A C 2.266 179.959 177.584 0.181 0.000 1.189 333 A CA 1.032 53.248 52.037 0.299 0.000 0.615 333 A CB -0.349 18.765 19.000 0.190 0.000 0.830 333 A HN 0.318 nan 8.150 nan 0.000 0.443 334 R N -0.423 120.132 120.500 0.091 0.000 2.115 334 R HA 0.034 4.374 4.340 -0.000 0.000 0.230 334 R C 1.863 178.205 176.300 0.069 0.000 1.111 334 R CA 1.347 57.479 56.100 0.053 0.000 0.976 334 R CB -0.410 29.896 30.300 0.009 0.000 0.870 334 R HN 0.538 nan 8.270 nan 0.000 0.445 335 I N 0.953 121.573 120.570 0.083 0.000 2.394 335 I HA -0.234 3.935 4.170 -0.000 0.000 0.251 335 I C 2.325 178.532 176.117 0.150 0.000 1.136 335 I CA 0.749 62.108 61.300 0.098 0.000 1.425 335 I CB -0.180 37.885 38.000 0.107 0.000 1.079 335 I HN 0.241 nan 8.210 nan 0.000 0.425 336 L N 1.034 122.390 121.223 0.221 0.000 2.131 336 L HA -0.053 4.287 4.340 -0.000 0.000 0.206 336 L C 2.603 179.558 176.870 0.142 0.000 1.087 336 L CA 1.880 56.862 54.840 0.236 0.000 0.767 336 L CB -0.804 41.472 42.059 0.362 0.000 0.917 336 L HN 0.162 nan 8.230 nan 0.000 0.441 337 A N -0.248 122.642 122.820 0.116 0.000 1.858 337 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 337 A C 2.212 179.831 177.584 0.059 0.000 1.190 337 A CA 2.285 54.365 52.037 0.071 0.000 0.617 337 A CB -1.177 17.853 19.000 0.049 0.000 0.827 337 A HN 0.447 nan 8.150 nan 0.000 0.443 338 T N 0.143 114.730 114.554 0.056 0.000 2.699 338 T HA -0.173 4.176 4.350 -0.000 0.000 0.268 338 T C 1.832 176.561 174.700 0.048 0.000 1.036 338 T CA 1.872 63.999 62.100 0.044 0.000 1.147 338 T CB -0.284 68.607 68.868 0.039 0.000 0.862 338 T HN 0.513 nan 8.240 nan 0.000 0.446 339 K N 0.918 121.357 120.400 0.065 0.000 2.360 339 K HA -0.019 4.301 4.320 -0.000 0.000 0.201 339 K C 1.651 178.283 176.600 0.053 0.000 1.046 339 K CA 1.000 57.325 56.287 0.062 0.000 0.945 339 K CB -0.002 32.548 32.500 0.082 0.000 0.750 339 K HN 0.418 nan 8.250 nan 0.000 0.464 340 V N -3.198 116.748 119.914 0.053 0.000 3.085 340 V HA 0.397 4.516 4.120 -0.000 0.000 0.345 340 V C 0.266 176.381 176.094 0.034 0.000 1.397 340 V CA -0.218 62.107 62.300 0.042 0.000 1.165 340 V CB -0.055 31.797 31.823 0.048 0.000 1.153 340 V HN 0.230 nan 8.190 nan 0.000 0.495 341 G N -0.183 108.636 108.800 0.032 0.000 2.392 341 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.256 341 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.256 341 G C 0.087 175.001 174.900 0.023 0.000 0.920 341 G CA 0.254 45.369 45.100 0.024 0.000 1.316 341 G HN 0.962 nan 8.290 nan 0.000 0.416 342 c N 0.916 119.530 118.600 0.024 0.000 4.480 342 c HA 0.125 4.695 4.570 -0.000 0.000 0.353 342 c C 1.148 175.247 174.090 0.016 0.000 2.012 342 c CA -0.535 55.806 56.329 0.020 0.000 1.666 342 c CB -0.537 41.987 42.510 0.023 0.000 2.739 342 c HN 0.855 nan 8.230 nan 0.000 0.571 343 N N 2.701 121.413 118.700 0.018 0.000 2.921 343 N HA 0.095 4.835 4.740 -0.000 0.000 0.325 343 N C 0.413 175.927 175.510 0.007 0.000 1.194 343 N CA 0.350 53.408 53.050 0.014 0.000 1.184 343 N CB -0.059 38.437 38.487 0.015 0.000 1.433 343 N HN 0.599 nan 8.380 nan 0.000 0.539 344 V N -1.189 118.728 119.914 0.005 0.000 3.133 344 V HA 0.200 4.320 4.120 -0.000 0.000 0.305 344 V C 1.366 177.460 176.094 -0.000 0.000 1.084 344 V CA -0.303 61.998 62.300 0.002 0.000 1.089 344 V CB 1.109 32.933 31.823 0.001 0.000 1.073 344 V HN 0.246 nan 8.190 nan 0.000 0.477 345 S N 0.244 115.943 115.700 -0.001 0.000 2.453 345 S HA -0.017 4.453 4.470 -0.000 0.000 0.231 345 S C 0.579 175.178 174.600 -0.003 0.000 1.005 345 S CA 1.137 59.335 58.200 -0.002 0.000 0.949 345 S CB -0.411 62.788 63.200 -0.002 0.000 0.774 345 S HN 1.013 nan 8.310 nan 0.000 0.510 346 D N 0.768 121.167 120.400 -0.003 0.000 2.233 346 D HA 0.280 4.920 4.640 -0.000 0.000 0.240 346 D C 1.340 177.636 176.300 -0.007 0.000 1.074 346 D CA -0.047 53.950 54.000 -0.004 0.000 0.838 346 D CB 1.461 42.260 40.800 -0.002 0.000 1.124 346 D HN 0.106 nan 8.370 nan 0.000 0.475 347 T N 0.688 115.237 114.554 -0.009 0.000 2.580 347 T HA -0.214 4.136 4.350 -0.000 0.000 0.265 347 T C 2.040 176.726 174.700 -0.023 0.000 1.063 347 T CA 1.547 63.638 62.100 -0.016 0.000 1.170 347 T CB -0.862 67.998 68.868 -0.012 0.000 0.863 347 T HN 0.227 nan 8.240 nan 0.000 0.418 348 V N 2.321 122.227 119.914 -0.014 0.000 2.363 348 V HA -0.260 3.860 4.120 -0.000 0.000 0.254 348 V C 2.806 178.891 176.094 -0.014 0.000 1.074 348 V CA 2.355 64.648 62.300 -0.013 0.000 1.069 348 V CB -0.922 30.900 31.823 -0.002 0.000 0.659 348 V HN 0.610 nan 8.190 nan 0.000 0.455 349 E N -0.487 119.707 120.200 -0.011 0.000 2.072 349 E HA -0.143 4.207 4.350 -0.000 0.000 0.190 349 E C 2.234 178.827 176.600 -0.013 0.000 0.982 349 E CA 1.025 57.421 56.400 -0.008 0.000 0.803 349 E CB -0.147 29.551 29.700 -0.003 0.000 0.755 349 E HN 0.537 nan 8.360 nan 0.000 0.453 350 L N 0.894 122.105 121.223 -0.020 0.000 2.083 350 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 350 L C 2.284 179.120 176.870 -0.057 0.000 1.083 350 L CA 0.895 55.719 54.840 -0.027 0.000 0.752 350 L CB -0.033 42.010 42.059 -0.027 0.000 0.899 350 L HN 0.031 nan 8.230 nan 0.000 0.433 351 V N -0.057 119.805 119.914 -0.086 0.000 2.307 351 V HA -0.283 3.837 4.120 -0.000 0.000 0.245 351 V C 2.329 178.385 176.094 -0.063 0.000 1.045 351 V CA 2.082 64.287 62.300 -0.157 0.000 1.024 351 V CB -0.557 31.176 31.823 -0.151 0.000 0.651 351 V HN 0.488 nan 8.190 nan 0.000 0.449 352 E N -0.936 119.252 120.200 -0.019 0.000 2.110 352 E HA -0.268 4.081 4.350 -0.000 0.000 0.193 352 E C 2.272 178.887 176.600 0.025 0.000 0.988 352 E CA 1.589 57.998 56.400 0.014 0.000 0.804 352 E CB -0.412 29.293 29.700 0.008 0.000 0.745 352 E HN 0.641 nan 8.360 nan 0.000 0.458 353 c N 0.785 119.392 118.600 0.013 0.000 2.413 353 c HA -0.159 4.411 4.570 -0.000 0.000 0.277 353 c C 2.538 176.654 174.090 0.043 0.000 1.228 353 c CA 0.863 57.204 56.329 0.021 0.000 1.731 353 c CB -0.958 41.559 42.510 0.012 0.000 2.042 353 c HN 0.375 nan 8.230 nan 0.000 0.468 354 L N -0.127 121.127 121.223 0.052 0.000 2.141 354 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 354 L C 2.648 179.644 176.870 0.210 0.000 1.094 354 L CA 1.238 56.150 54.840 0.120 0.000 0.763 354 L CB -0.846 41.277 42.059 0.107 0.000 0.908 354 L HN 0.442 nan 8.230 nan 0.000 0.437 355 Q N -0.126 119.799 119.800 0.208 0.000 2.561 355 Q HA -0.150 4.190 4.340 -0.000 0.000 0.217 355 Q C 1.593 177.650 176.000 0.094 0.000 0.980 355 Q CA 0.745 56.672 55.803 0.207 0.000 0.927 355 Q CB 0.234 29.069 28.738 0.161 0.000 0.980 355 Q HN 0.381 nan 8.270 nan 0.000 0.525 356 K N 0.014 120.459 120.400 0.075 0.000 2.273 356 K HA 0.099 4.419 4.320 -0.000 0.000 0.206 356 K C 0.407 177.027 176.600 0.033 0.000 1.072 356 K CA 0.187 56.497 56.287 0.039 0.000 0.953 356 K CB 0.119 32.635 32.500 0.027 0.000 1.043 356 K HN -0.049 nan 8.250 nan 0.000 0.477 357 K N 2.468 122.892 120.400 0.040 0.000 2.600 357 K HA -0.068 4.252 4.320 -0.000 0.000 0.280 357 K C -2.413 174.194 176.600 0.011 0.000 0.971 357 K CA -0.546 55.756 56.287 0.025 0.000 1.053 357 K CB -0.818 31.706 32.500 0.041 0.000 0.856 357 K HN 0.019 nan 8.250 nan 0.000 0.495 358 P HA -0.070 nan 4.420 nan 0.000 0.264 358 P C 0.540 177.791 177.300 -0.082 0.000 1.193 358 P CA 0.071 63.116 63.100 -0.092 0.000 0.763 358 P CB 0.079 31.689 31.700 -0.151 0.000 0.810 359 Y N 3.931 124.210 120.300 -0.035 0.000 2.181 359 Y HA -0.278 4.272 4.550 -0.000 0.000 0.284 359 Y C 1.853 177.732 175.900 -0.034 0.000 1.179 359 Y CA 1.805 59.874 58.100 -0.051 0.000 1.179 359 Y CB -1.019 37.398 38.460 -0.071 0.000 0.973 359 Y HN 0.121 nan 8.280 nan 0.000 0.519 360 K N 1.076 121.238 120.400 -0.396 0.000 2.365 360 K HA -0.116 4.204 4.320 -0.000 0.000 0.199 360 K C 2.022 178.580 176.600 -0.069 0.000 1.045 360 K CA 1.313 57.482 56.287 -0.197 0.000 0.962 360 K CB -0.303 31.954 32.500 -0.405 0.000 0.759 360 K HN 0.720 nan 8.250 nan 0.000 0.469 361 E N -0.333 119.827 120.200 -0.068 0.000 2.122 361 E HA -0.075 4.274 4.350 -0.000 0.000 0.190 361 E C 1.565 178.177 176.600 0.020 0.000 0.977 361 E CA 0.552 56.940 56.400 -0.022 0.000 0.820 361 E CB 0.056 29.742 29.700 -0.025 0.000 0.770 361 E HN 0.279 nan 8.360 nan 0.000 0.462 362 L N 0.406 121.652 121.223 0.037 0.000 2.072 362 L HA -0.078 4.262 4.340 -0.000 0.000 0.205 362 L C 2.397 179.295 176.870 0.047 0.000 1.079 362 L CA 0.499 55.370 54.840 0.051 0.000 0.752 362 L CB -0.156 41.940 42.059 0.062 0.000 0.906 362 L HN 0.063 nan 8.230 nan 0.000 0.436 363 V N -0.603 119.347 119.914 0.061 0.000 3.078 363 V HA -0.197 3.923 4.120 -0.000 0.000 0.265 363 V C 1.332 177.467 176.094 0.068 0.000 1.122 363 V CA 1.383 63.723 62.300 0.066 0.000 1.141 363 V CB -0.468 31.419 31.823 0.108 0.000 0.735 363 V HN 0.402 nan 8.190 nan 0.000 0.498 364 D N -1.431 119.004 120.400 0.058 0.000 2.369 364 D HA 0.093 4.733 4.640 -0.000 0.000 0.211 364 D C 1.354 177.690 176.300 0.060 0.000 1.077 364 D CA 0.008 54.040 54.000 0.054 0.000 0.842 364 D CB 0.385 41.206 40.800 0.035 0.000 0.947 364 D HN 0.374 nan 8.370 nan 0.000 0.509 365 Q N 0.492 120.335 119.800 0.072 0.000 2.837 365 Q HA 0.080 4.420 4.340 -0.000 0.000 0.187 365 Q C 0.012 176.070 176.000 0.097 0.000 1.175 365 Q CA 0.580 56.434 55.803 0.085 0.000 1.271 365 Q CB 0.248 29.050 28.738 0.107 0.000 1.349 365 Q HN -0.050 nan 8.270 nan 0.000 0.694 366 D N -0.352 120.115 120.400 0.112 0.000 2.823 366 D HA 0.225 4.865 4.640 -0.000 0.000 0.255 366 D C -1.644 174.729 176.300 0.121 0.000 1.257 366 D CA -0.113 53.950 54.000 0.106 0.000 0.803 366 D CB 0.311 41.156 40.800 0.076 0.000 1.384 366 D HN 0.062 nan 8.370 nan 0.000 0.541 367 V N 2.927 122.942 119.914 0.168 0.000 2.408 367 V HA 0.325 4.444 4.120 -0.000 0.000 0.267 367 V C 0.289 176.413 176.094 0.050 0.000 1.047 367 V CA -0.366 62.029 62.300 0.159 0.000 0.937 367 V CB 1.232 33.211 31.823 0.261 0.000 0.999 367 V HN 0.282 nan 8.190 nan 0.000 0.472 368 Q N 6.744 126.574 119.800 0.049 0.000 2.290 368 Q HA 0.474 4.814 4.340 -0.000 0.000 0.259 368 Q C -2.308 173.662 176.000 -0.050 0.000 0.941 368 Q CA -1.686 54.114 55.803 -0.005 0.000 0.912 368 Q CB 2.313 31.071 28.738 0.034 0.000 1.244 368 Q HN 0.537 nan 8.270 nan 0.000 0.441 369 P HA 0.388 nan 4.420 nan 0.000 0.285 369 P C -0.982 176.289 177.300 -0.049 0.000 1.269 369 P CA -0.609 62.318 63.100 -0.287 0.000 0.844 369 P CB 1.078 32.527 31.700 -0.418 0.000 1.094 370 A N 2.382 125.206 122.820 0.005 0.000 2.531 370 A HA 0.064 4.384 4.320 -0.000 0.000 0.236 370 A C 0.738 178.304 177.584 -0.029 0.000 1.062 370 A CA -0.091 51.913 52.037 -0.055 0.000 0.760 370 A CB -0.392 18.495 19.000 -0.189 0.000 0.995 370 A HN 0.575 nan 8.150 nan 0.000 0.501 371 R N 0.752 121.172 120.500 -0.134 0.000 2.638 371 R HA 0.086 4.426 4.340 -0.000 0.000 0.268 371 R C -0.568 175.619 176.300 -0.189 0.000 1.006 371 R CA 0.797 56.719 56.100 -0.298 0.000 1.088 371 R CB -0.148 29.767 30.300 -0.642 0.000 0.950 371 R HN 0.822 nan 8.270 nan 0.000 0.419 372 Y N -1.345 119.102 120.300 0.245 0.000 4.490 372 Y HA -0.291 4.259 4.550 -0.000 0.000 0.233 372 Y C -0.595 175.332 175.900 0.045 0.000 1.101 372 Y CA 0.817 59.042 58.100 0.209 0.000 2.010 372 Y CB -2.722 35.684 38.460 -0.091 0.000 1.622 372 Y HN 0.721 nan 8.280 nan 0.000 0.675 373 H N -1.012 118.176 119.070 0.197 0.000 2.949 373 H HA 0.821 5.377 4.556 -0.000 0.000 0.356 373 H C 0.192 175.565 175.328 0.075 0.000 1.212 373 H CA -0.702 55.425 56.048 0.131 0.000 1.136 373 H CB 1.414 31.203 29.762 0.045 0.000 1.869 373 H HN 0.111 nan 8.280 nan 0.000 0.556 374 I N -0.942 119.730 120.570 0.171 0.000 2.562 374 I HA 0.728 4.898 4.170 -0.000 0.000 0.301 374 I C 0.465 176.446 176.117 -0.227 0.000 1.003 374 I CA -0.930 60.374 61.300 0.007 0.000 1.127 374 I CB 2.257 40.307 38.000 0.085 0.000 1.304 374 I HN 0.634 nan 8.210 nan 0.000 0.446 375 A N 4.383 126.943 122.820 -0.433 0.000 1.862 375 A HA 0.363 4.682 4.320 -0.000 0.000 0.211 375 A C 0.470 177.594 177.584 -0.767 0.000 1.220 375 A CA 0.844 52.295 52.037 -0.976 0.000 0.616 375 A CB -0.263 18.148 19.000 -0.982 0.000 0.878 375 A HN 0.625 nan 8.150 nan 0.000 0.453 376 F N -1.292 118.621 119.950 -0.062 0.000 2.482 376 F HA 0.655 5.182 4.527 -0.000 0.000 0.331 376 F C 0.665 176.405 175.800 -0.100 0.000 1.115 376 F CA 0.006 58.022 58.000 0.027 0.000 0.955 376 F CB 2.029 41.113 39.000 0.140 0.000 1.136 376 F HN 0.446 nan 8.300 nan 0.000 0.452 377 G N 2.379 111.121 108.800 -0.096 0.000 2.325 377 G HA2 0.394 4.354 3.960 -0.000 0.000 0.295 377 G HA3 0.394 4.354 3.960 -0.000 0.000 0.295 377 G C -3.403 171.008 174.900 -0.815 0.000 1.274 377 G CA -1.012 43.480 45.100 -1.013 0.000 0.857 377 G HN 0.231 nan 8.290 nan 0.000 0.499 378 P HA 0.359 nan 4.420 nan 0.000 0.266 378 P C -0.165 176.929 177.300 -0.343 0.000 1.193 378 P CA 0.064 62.875 63.100 -0.482 0.000 0.770 378 P CB 1.007 32.421 31.700 -0.477 0.000 0.836 379 V N 0.821 120.594 119.914 -0.235 0.000 2.925 379 V HA 0.414 4.534 4.120 -0.000 0.000 0.311 379 V C -0.124 175.844 176.094 -0.210 0.000 1.104 379 V CA -1.019 61.134 62.300 -0.245 0.000 0.954 379 V CB 2.114 33.846 31.823 -0.153 0.000 1.022 379 V HN 0.224 nan 8.190 nan 0.000 0.427 380 I N 4.206 124.640 120.570 -0.226 0.000 2.453 380 I HA 0.112 4.282 4.170 -0.000 0.000 0.300 380 I C 1.223 177.288 176.117 -0.086 0.000 1.159 380 I CA 0.513 61.731 61.300 -0.137 0.000 1.379 380 I CB -0.519 37.420 38.000 -0.102 0.000 1.460 380 I HN 1.007 nan 8.210 nan 0.000 0.601 381 D N 4.154 124.504 120.400 -0.084 0.000 2.350 381 D HA -0.005 4.635 4.640 -0.000 0.000 0.213 381 D C 1.310 177.597 176.300 -0.022 0.000 1.031 381 D CA 0.900 54.863 54.000 -0.061 0.000 0.861 381 D CB 0.826 41.570 40.800 -0.093 0.000 0.926 381 D HN 0.677 nan 8.370 nan 0.000 0.520 382 G N 1.067 109.863 108.800 -0.007 0.000 2.241 382 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.244 382 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.244 382 G C 0.669 175.609 174.900 0.066 0.000 0.998 382 G CA 0.677 45.793 45.100 0.027 0.000 0.621 382 G HN 0.530 nan 8.290 nan 0.000 0.519 383 D N -0.971 119.465 120.400 0.060 0.000 3.206 383 D HA 0.283 4.923 4.640 -0.000 0.000 0.267 383 D C 2.451 178.810 176.300 0.098 0.000 1.506 383 D CA 1.096 55.187 54.000 0.152 0.000 1.173 383 D CB -0.185 40.697 40.800 0.138 0.000 1.141 383 D HN 0.187 nan 8.370 nan 0.000 0.350 384 V N 0.936 120.753 119.914 -0.161 0.000 2.261 384 V HA -0.044 4.076 4.120 -0.000 0.000 0.246 384 V C 0.799 176.825 176.094 -0.113 0.000 1.047 384 V CA 0.995 63.094 62.300 -0.336 0.000 1.015 384 V CB -0.172 31.394 31.823 -0.428 0.000 0.642 384 V HN 0.340 nan 8.190 nan 0.000 0.446 385 I N 2.072 122.593 120.570 -0.082 0.000 2.442 385 I HA 0.233 4.403 4.170 -0.000 0.000 0.279 385 I C -1.283 174.833 176.117 -0.003 0.000 1.081 385 I CA -2.346 58.929 61.300 -0.042 0.000 1.197 385 I CB 0.607 38.554 38.000 -0.088 0.000 1.394 385 I HN 0.191 nan 8.210 nan 0.000 0.488 386 P HA -0.160 nan 4.420 nan 0.000 0.217 386 P C 0.362 177.687 177.300 0.041 0.000 1.151 386 P CA 1.576 64.717 63.100 0.069 0.000 0.849 386 P CB 1.025 32.786 31.700 0.102 0.000 0.787 387 D N -2.214 118.205 120.400 0.033 0.000 2.838 387 D HA 0.095 4.735 4.640 -0.000 0.000 0.334 387 D C -1.292 175.026 176.300 0.031 0.000 1.315 387 D CA -0.620 53.399 54.000 0.033 0.000 0.917 387 D CB 0.789 41.613 40.800 0.039 0.000 1.435 387 D HN -0.264 nan 8.370 nan 0.000 0.517 388 D N 0.482 120.914 120.400 0.054 0.000 2.401 388 D HA 0.106 4.746 4.640 -0.000 0.000 0.254 388 D C -1.640 174.693 176.300 0.056 0.000 1.192 388 D CA -1.221 52.828 54.000 0.081 0.000 0.885 388 D CB 1.582 42.451 40.800 0.116 0.000 1.147 388 D HN -0.018 nan 8.370 nan 0.000 0.478 389 P HA -0.251 nan 4.420 nan 0.000 0.217 389 P C 1.199 178.511 177.300 0.021 0.000 1.158 389 P CA 1.744 64.854 63.100 0.017 0.000 0.887 389 P CB 0.185 31.885 31.700 -0.001 0.000 0.792 390 Q N -0.415 119.401 119.800 0.026 0.000 2.197 390 Q HA -0.171 4.169 4.340 -0.000 0.000 0.207 390 Q C 1.873 177.895 176.000 0.037 0.000 0.984 390 Q CA 1.722 57.535 55.803 0.017 0.000 0.869 390 Q CB -1.076 27.661 28.738 -0.001 0.000 0.906 390 Q HN 0.248 nan 8.270 nan 0.000 0.426 391 I N -0.733 119.864 120.570 0.045 0.000 2.235 391 I HA -0.213 3.957 4.170 -0.000 0.000 0.241 391 I C 2.033 178.191 176.117 0.068 0.000 1.085 391 I CA 0.617 61.949 61.300 0.053 0.000 1.378 391 I CB -0.307 37.721 38.000 0.045 0.000 1.076 391 I HN 0.185 nan 8.210 nan 0.000 0.415 392 L N 0.017 121.278 121.223 0.063 0.000 2.021 392 L HA -0.290 4.050 4.340 -0.000 0.000 0.215 392 L C 2.782 179.730 176.870 0.131 0.000 1.074 392 L CA 1.334 56.222 54.840 0.079 0.000 0.760 392 L CB -0.702 41.403 42.059 0.077 0.000 0.889 392 L HN 0.319 nan 8.230 nan 0.000 0.433 393 M N -0.385 119.282 119.600 0.112 0.000 2.108 393 M HA -0.214 4.266 4.480 -0.000 0.000 0.261 393 M C 2.140 178.614 176.300 0.290 0.000 1.066 393 M CA 1.790 57.177 55.300 0.145 0.000 1.107 393 M CB -1.010 31.604 32.600 0.024 0.000 1.356 393 M HN 0.328 nan 8.290 nan 0.000 0.406 394 E N -0.308 120.018 120.200 0.210 0.000 2.208 394 E HA -0.155 4.195 4.350 -0.000 0.000 0.193 394 E C 1.606 178.388 176.600 0.304 0.000 0.988 394 E CA 0.641 57.193 56.400 0.253 0.000 0.828 394 E CB -0.067 29.719 29.700 0.144 0.000 0.763 394 E HN 0.646 nan 8.360 nan 0.000 0.478 395 Q N -0.346 119.551 119.800 0.162 0.000 2.320 395 Q HA 0.123 4.463 4.340 -0.000 0.000 0.201 395 Q C 0.780 176.632 176.000 -0.248 0.000 0.910 395 Q CA 0.302 56.140 55.803 0.057 0.000 0.946 395 Q CB 0.889 29.638 28.738 0.017 0.000 1.062 395 Q HN 0.329 nan 8.270 nan 0.000 0.503 396 G N 1.720 110.194 108.800 -0.544 0.000 2.203 396 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.263 396 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.263 396 G C 0.078 174.380 174.900 -0.998 0.000 1.012 396 G CA 0.043 44.138 45.100 -1.674 0.000 0.749 396 G HN 0.281 nan 8.290 nan 0.000 0.512 397 E N -0.121 119.889 120.200 -0.316 0.000 2.773 397 E HA 0.352 4.702 4.350 -0.000 0.000 0.302 397 E C 0.330 176.968 176.600 0.064 0.000 1.574 397 E CA 0.356 56.676 56.400 -0.133 0.000 1.775 397 E CB -0.803 28.889 29.700 -0.014 0.000 1.413 397 E HN 0.718 nan 8.360 nan 0.000 0.471 398 F N -2.261 117.609 119.950 -0.133 0.000 2.631 398 F HA 0.471 4.998 4.527 -0.000 0.000 0.308 398 F C -0.457 175.364 175.800 0.035 0.000 1.097 398 F CA -1.402 56.596 58.000 -0.004 0.000 0.952 398 F CB 0.622 39.617 39.000 -0.009 0.000 1.307 398 F HN -0.244 nan 8.300 nan 0.000 0.450 399 L N 2.309 123.719 121.223 0.312 0.000 2.482 399 L HA 0.301 4.640 4.340 -0.000 0.000 0.242 399 L C 0.110 177.085 176.870 0.176 0.000 1.210 399 L CA -0.947 53.927 54.840 0.056 0.000 0.819 399 L CB 0.431 42.392 42.059 -0.163 0.000 1.203 399 L HN 0.817 nan 8.230 nan 0.000 0.495 400 N N -0.342 118.305 118.700 -0.088 0.000 2.438 400 N HA 0.299 5.039 4.740 -0.000 0.000 0.282 400 N C -1.451 173.987 175.510 -0.119 0.000 1.037 400 N CA -0.287 52.811 53.050 0.079 0.000 0.942 400 N CB 1.164 39.667 38.487 0.027 0.000 1.136 400 N HN 0.344 nan 8.380 nan 0.000 0.481 401 Y N -0.804 119.593 120.300 0.162 0.000 2.669 401 Y HA 0.360 4.910 4.550 -0.000 0.000 0.335 401 Y C -0.264 175.708 175.900 0.119 0.000 1.116 401 Y CA -1.248 56.906 58.100 0.090 0.000 1.081 401 Y CB 1.122 39.638 38.460 0.094 0.000 1.297 401 Y HN 0.362 nan 8.280 nan 0.000 0.484 402 D N 1.902 122.467 120.400 0.275 0.000 2.313 402 D HA 0.302 4.942 4.640 -0.000 0.000 0.239 402 D C -0.624 175.929 176.300 0.422 0.000 1.142 402 D CA 0.224 54.386 54.000 0.270 0.000 0.847 402 D CB 1.118 41.938 40.800 0.033 0.000 1.082 402 D HN 0.220 nan 8.370 nan 0.000 0.480 403 I N 2.754 123.500 120.570 0.294 0.000 2.412 403 I HA 0.383 4.553 4.170 -0.000 0.000 0.296 403 I C 0.196 176.283 176.117 -0.050 0.000 0.987 403 I CA -0.531 60.805 61.300 0.061 0.000 1.180 403 I CB 1.679 39.514 38.000 -0.275 0.000 1.340 403 I HN 0.275 nan 8.210 nan 0.000 0.455 404 M N 8.713 128.132 119.600 -0.302 0.000 2.213 404 M HA 0.619 5.099 4.480 -0.000 0.000 0.286 404 M C -1.985 174.132 176.300 -0.306 0.000 1.008 404 M CA -0.520 54.471 55.300 -0.516 0.000 0.937 404 M CB 2.037 33.832 32.600 -1.341 0.000 1.600 404 M HN 0.555 nan 8.290 nan 0.000 0.450 405 L N 1.921 123.025 121.223 -0.199 0.000 2.568 405 L HA 1.146 5.486 4.340 -0.000 0.000 0.257 405 L C -0.951 175.501 176.870 -0.696 0.000 1.024 405 L CA -0.676 54.017 54.840 -0.245 0.000 0.854 405 L CB 1.977 43.871 42.059 -0.275 0.000 1.460 405 L HN 0.783 nan 8.230 nan 0.000 0.409 406 G N 0.048 108.254 108.800 -0.989 0.000 2.430 406 G HA2 0.604 4.564 3.960 -0.000 0.000 0.300 406 G HA3 0.604 4.564 3.960 -0.000 0.000 0.300 406 G C -1.477 172.788 174.900 -1.059 0.000 1.330 406 G CA 0.006 43.984 45.100 -1.871 0.000 0.813 406 G HN 1.331 nan 8.290 nan 0.000 0.487 407 V N -2.482 116.927 119.914 -0.843 0.000 3.158 407 V HA 0.886 5.006 4.120 -0.000 0.000 0.311 407 V C -0.901 175.064 176.094 -0.214 0.000 1.181 407 V CA -1.448 60.657 62.300 -0.326 0.000 1.054 407 V CB 1.905 33.670 31.823 -0.097 0.000 1.085 407 V HN 0.661 nan 8.190 nan 0.000 0.446 408 N N 0.713 119.336 118.700 -0.129 0.000 2.443 408 N HA 0.392 5.132 4.740 -0.000 0.000 0.293 408 N C 0.655 176.034 175.510 -0.217 0.000 1.159 408 N CA -0.248 52.751 53.050 -0.084 0.000 0.904 408 N CB 1.662 40.143 38.487 -0.009 0.000 1.214 408 N HN 0.964 nan 8.380 nan 0.000 0.513 409 Q N 0.906 120.436 119.800 -0.450 0.000 2.014 409 Q HA -0.101 4.239 4.340 -0.000 0.000 0.207 409 Q C 0.323 176.231 176.000 -0.154 0.000 0.993 409 Q CA 1.911 57.399 55.803 -0.525 0.000 0.850 409 Q CB -0.380 27.795 28.738 -0.939 0.000 0.916 409 Q HN 0.740 nan 8.270 nan 0.000 0.417 410 G N 0.358 109.074 108.800 -0.141 0.000 4.637 410 G HA2 0.109 4.069 3.960 -0.000 0.000 0.308 410 G HA3 0.109 4.069 3.960 -0.000 0.000 0.308 410 G C 0.228 175.073 174.900 -0.090 0.000 1.377 410 G CA -0.398 44.678 45.100 -0.040 0.000 1.176 410 G HN 0.250 nan 8.290 nan 0.000 0.601 411 E N 1.423 121.491 120.200 -0.221 0.000 2.055 411 E HA -0.165 4.185 4.350 -0.000 0.000 0.209 411 E C 2.144 178.493 176.600 -0.418 0.000 1.036 411 E CA 1.515 57.553 56.400 -0.604 0.000 0.849 411 E CB -0.393 28.537 29.700 -1.284 0.000 0.767 411 E HN 0.379 nan 8.360 nan 0.000 0.461 412 G N 1.731 110.536 108.800 0.007 0.000 3.263 412 G HA2 0.125 4.084 3.960 -0.000 0.000 0.246 412 G HA3 0.125 4.084 3.960 -0.000 0.000 0.246 412 G C 1.053 176.183 174.900 0.384 0.000 0.982 412 G CA -0.156 45.273 45.100 0.549 0.000 1.897 412 G HN 0.057 nan 8.290 nan 0.000 0.624 413 L N 0.501 121.849 121.223 0.209 0.000 1.976 413 L HA -0.008 4.332 4.340 -0.000 0.000 0.209 413 L C 2.435 179.440 176.870 0.225 0.000 1.071 413 L CA 1.824 56.779 54.840 0.192 0.000 0.746 413 L CB -0.278 41.820 42.059 0.066 0.000 0.890 413 L HN 0.086 nan 8.230 nan 0.000 0.432 414 K N -0.527 119.994 120.400 0.202 0.000 2.228 414 K HA -0.250 4.070 4.320 -0.000 0.000 0.205 414 K C 2.121 178.826 176.600 0.175 0.000 1.045 414 K CA 1.670 58.065 56.287 0.180 0.000 0.931 414 K CB -0.969 31.639 32.500 0.180 0.000 0.727 414 K HN 0.424 nan 8.250 nan 0.000 0.458 415 F N 1.468 121.399 119.950 -0.032 0.000 2.102 415 F HA -0.224 4.302 4.527 -0.000 0.000 0.298 415 F C 2.019 177.723 175.800 -0.161 0.000 1.105 415 F CA 1.614 59.420 58.000 -0.325 0.000 1.239 415 F CB -0.270 38.177 39.000 -0.922 0.000 0.991 415 F HN -0.122 nan 8.300 nan 0.000 0.474 416 V N -2.310 117.516 119.914 -0.146 0.000 2.949 416 V HA 0.022 4.142 4.120 -0.000 0.000 0.245 416 V C 2.043 178.126 176.094 -0.018 0.000 1.086 416 V CA 1.214 63.392 62.300 -0.203 0.000 1.097 416 V CB -0.890 30.887 31.823 -0.076 0.000 0.762 416 V HN 0.395 nan 8.190 nan 0.000 0.470 417 E N 1.664 121.955 120.200 0.153 0.000 2.284 417 E HA -0.381 3.969 4.350 -0.000 0.000 0.200 417 E C 1.957 178.631 176.600 0.123 0.000 1.008 417 E CA 1.874 58.423 56.400 0.249 0.000 0.829 417 E CB -0.273 29.567 29.700 0.233 0.000 0.744 417 E HN 0.756 nan 8.360 nan 0.000 0.491 418 N N 0.789 119.514 118.700 0.041 0.000 2.069 418 N HA -0.177 4.563 4.740 -0.000 0.000 0.191 418 N C 1.324 176.840 175.510 0.009 0.000 1.031 418 N CA 1.952 55.012 53.050 0.016 0.000 0.852 418 N CB -0.045 38.425 38.487 -0.029 0.000 1.018 418 N HN 0.427 nan 8.380 nan 0.000 0.423 419 I N -2.450 118.106 120.570 -0.024 0.000 3.061 419 I HA 0.389 4.559 4.170 -0.000 0.000 0.341 419 I C -1.121 174.970 176.117 -0.044 0.000 1.457 419 I CA -0.720 60.567 61.300 -0.022 0.000 0.921 419 I CB 0.817 38.804 38.000 -0.021 0.000 1.845 419 I HN -0.268 nan 8.210 nan 0.000 0.535 420 V N 3.385 123.278 119.914 -0.036 0.000 2.288 420 V HA 0.128 4.247 4.120 -0.000 0.000 0.266 420 V C 0.089 176.150 176.094 -0.056 0.000 1.048 420 V CA -0.450 61.787 62.300 -0.106 0.000 0.842 420 V CB 0.515 32.228 31.823 -0.183 0.000 1.064 420 V HN 0.669 nan 8.190 nan 0.000 0.472 421 D N 3.590 123.953 120.400 -0.062 0.000 2.341 421 D HA -0.092 4.548 4.640 -0.000 0.000 0.233 421 D C 1.541 177.829 176.300 -0.020 0.000 1.270 421 D CA 0.531 54.512 54.000 -0.032 0.000 0.883 421 D CB 0.591 41.370 40.800 -0.036 0.000 1.207 421 D HN 0.465 nan 8.370 nan 0.000 0.471 422 S N -0.554 115.147 115.700 0.002 0.000 2.420 422 S HA -0.269 4.201 4.470 -0.000 0.000 0.237 422 S C 0.677 175.284 174.600 0.012 0.000 1.023 422 S CA 1.418 59.630 58.200 0.019 0.000 0.991 422 S CB -0.497 62.714 63.200 0.017 0.000 0.792 422 S HN 0.594 nan 8.310 nan 0.000 0.488 423 D N 1.550 121.940 120.400 -0.016 0.000 2.460 423 D HA 0.220 4.860 4.640 -0.000 0.000 0.229 423 D C -0.474 175.786 176.300 -0.066 0.000 1.170 423 D CA 0.018 54.003 54.000 -0.025 0.000 0.827 423 D CB -0.201 40.582 40.800 -0.028 0.000 0.973 423 D HN 0.140 nan 8.370 nan 0.000 0.496 424 D N 0.002 120.343 120.400 -0.099 0.000 2.751 424 D HA -0.149 4.490 4.640 -0.000 0.000 0.233 424 D C 0.634 176.732 176.300 -0.338 0.000 1.149 424 D CA 1.234 55.066 54.000 -0.280 0.000 0.682 424 D CB -1.127 39.525 40.800 -0.246 0.000 1.068 424 D HN 0.447 nan 8.370 nan 0.000 0.429 425 G N -1.598 107.066 108.800 -0.227 0.000 3.108 425 G HA2 0.713 4.673 3.960 -0.000 0.000 0.268 425 G HA3 0.713 4.673 3.960 -0.000 0.000 0.268 425 G C -0.822 173.973 174.900 -0.176 0.000 1.361 425 G CA -0.520 44.462 45.100 -0.197 0.000 1.047 425 G HN 0.149 nan 8.290 nan 0.000 0.540 426 V N 0.750 120.586 119.914 -0.130 0.000 2.569 426 V HA 0.388 4.508 4.120 -0.000 0.000 0.301 426 V C 0.172 176.243 176.094 -0.039 0.000 1.044 426 V CA -0.962 61.291 62.300 -0.079 0.000 0.874 426 V CB 1.464 33.250 31.823 -0.062 0.000 1.002 426 V HN 1.044 nan 8.190 nan 0.000 0.424 427 S N 3.479 119.175 115.700 -0.008 0.000 2.533 427 S HA 0.358 4.828 4.470 -0.000 0.000 0.282 427 S C 1.460 176.095 174.600 0.058 0.000 1.304 427 S CA 0.148 58.356 58.200 0.013 0.000 1.063 427 S CB 1.499 64.708 63.200 0.015 0.000 0.881 427 S HN 1.317 nan 8.310 nan 0.000 0.493 428 A N 3.436 126.282 122.820 0.044 0.000 2.032 428 A HA -0.132 4.188 4.320 -0.000 0.000 0.221 428 A C 2.400 180.084 177.584 0.167 0.000 1.165 428 A CA 1.966 54.052 52.037 0.082 0.000 0.645 428 A CB -1.374 17.659 19.000 0.054 0.000 0.807 428 A HN 1.296 nan 8.150 nan 0.000 0.453 429 S N -0.848 114.925 115.700 0.121 0.000 2.436 429 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 429 S C 1.385 176.085 174.600 0.167 0.000 1.014 429 S CA 1.032 59.307 58.200 0.126 0.000 0.950 429 S CB -0.242 62.997 63.200 0.064 0.000 0.784 429 S HN 0.498 nan 8.310 nan 0.000 0.504 430 D N 0.564 121.058 120.400 0.156 0.000 2.194 430 D HA 0.097 4.737 4.640 -0.000 0.000 0.204 430 D C 1.399 177.829 176.300 0.216 0.000 0.964 430 D CA 0.540 54.653 54.000 0.188 0.000 0.846 430 D CB -0.228 40.635 40.800 0.106 0.000 0.962 430 D HN 0.474 nan 8.370 nan 0.000 0.490 431 F N 1.767 121.743 119.950 0.043 0.000 2.098 431 F HA -0.135 4.392 4.527 -0.000 0.000 0.294 431 F C 1.827 177.656 175.800 0.048 0.000 1.107 431 F CA 1.176 59.180 58.000 0.006 0.000 1.234 431 F CB -0.031 38.954 39.000 -0.025 0.000 1.002 431 F HN -0.253 nan 8.300 nan 0.000 0.472 432 D N -0.007 120.557 120.400 0.273 0.000 2.190 432 D HA -0.233 4.407 4.640 -0.000 0.000 0.200 432 D C 1.915 178.275 176.300 0.100 0.000 0.992 432 D CA 1.460 55.558 54.000 0.164 0.000 0.854 432 D CB -0.523 40.410 40.800 0.222 0.000 0.936 432 D HN 0.365 nan 8.370 nan 0.000 0.462 433 F N 1.197 121.144 119.950 -0.005 0.000 2.074 433 F HA 0.020 4.546 4.527 -0.000 0.000 0.293 433 F C 2.206 177.993 175.800 -0.022 0.000 1.116 433 F CA 1.432 59.431 58.000 -0.002 0.000 1.212 433 F CB -0.793 38.212 39.000 0.007 0.000 0.998 433 F HN -0.051 nan 8.300 nan 0.000 0.471 434 A N 0.288 122.919 122.820 -0.316 0.000 1.940 434 A HA -0.224 4.096 4.320 -0.000 0.000 0.221 434 A C 2.311 179.744 177.584 -0.251 0.000 1.190 434 A CA 2.602 54.395 52.037 -0.406 0.000 0.647 434 A CB -1.549 17.245 19.000 -0.344 0.000 0.821 434 A HN 0.346 nan 8.150 nan 0.000 0.457 435 V N -0.586 119.155 119.914 -0.288 0.000 2.244 435 V HA -0.204 3.916 4.120 -0.000 0.000 0.244 435 V C 2.726 178.833 176.094 0.021 0.000 1.042 435 V CA 2.237 64.435 62.300 -0.170 0.000 1.006 435 V CB -1.028 30.608 31.823 -0.312 0.000 0.641 435 V HN 0.571 nan 8.190 nan 0.000 0.446 436 S N 0.364 116.049 115.700 -0.026 0.000 2.392 436 S HA -0.312 4.158 4.470 -0.000 0.000 0.232 436 S C 1.849 176.465 174.600 0.026 0.000 1.041 436 S CA 2.303 60.526 58.200 0.039 0.000 1.026 436 S CB -0.637 62.603 63.200 0.068 0.000 0.845 436 S HN 0.738 nan 8.310 nan 0.000 0.465 437 N N 0.492 119.121 118.700 -0.117 0.000 2.109 437 N HA -0.048 4.692 4.740 -0.000 0.000 0.188 437 N C 1.592 177.168 175.510 0.110 0.000 1.034 437 N CA 1.133 54.112 53.050 -0.119 0.000 0.846 437 N CB -0.363 37.846 38.487 -0.462 0.000 1.010 437 N HN 0.395 nan 8.380 nan 0.000 0.425 438 F N 0.582 120.560 119.950 0.047 0.000 2.154 438 F HA -0.163 4.364 4.527 -0.000 0.000 0.301 438 F C 1.755 177.642 175.800 0.146 0.000 1.087 438 F CA 1.130 59.235 58.000 0.174 0.000 1.274 438 F CB -0.306 38.745 39.000 0.086 0.000 1.009 438 F HN -0.082 nan 8.300 nan 0.000 0.485 439 V N 0.834 120.966 119.914 0.363 0.000 2.358 439 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 439 V C 2.060 178.254 176.094 0.167 0.000 1.047 439 V CA 2.158 64.638 62.300 0.301 0.000 1.035 439 V CB -0.721 31.283 31.823 0.302 0.000 0.658 439 V HN 0.325 nan 8.190 nan 0.000 0.452 440 D N 0.327 120.793 120.400 0.111 0.000 2.149 440 D HA -0.157 4.482 4.640 -0.000 0.000 0.198 440 D C 1.989 178.298 176.300 0.016 0.000 0.990 440 D CA 1.263 55.302 54.000 0.066 0.000 0.839 440 D CB -0.273 40.555 40.800 0.046 0.000 0.948 440 D HN 0.437 nan 8.370 nan 0.000 0.460 441 N N 0.048 118.739 118.700 -0.015 0.000 2.290 441 N HA -0.040 4.700 4.740 -0.000 0.000 0.179 441 N C 1.709 177.158 175.510 -0.103 0.000 1.016 441 N CA 0.247 53.264 53.050 -0.056 0.000 0.871 441 N CB 0.155 38.611 38.487 -0.053 0.000 0.987 441 N HN 0.160 nan 8.380 nan 0.000 0.431 442 L N -0.343 120.720 121.223 -0.267 0.000 2.477 442 L HA 0.098 4.437 4.340 -0.000 0.000 0.220 442 L C -0.345 176.065 176.870 -0.766 0.000 1.106 442 L CA 0.830 55.317 54.840 -0.589 0.000 0.851 442 L CB -0.307 41.107 42.059 -1.076 0.000 0.994 442 L HN 0.097 nan 8.230 nan 0.000 0.462 443 Y N -0.787 119.469 120.300 -0.073 0.000 2.475 443 Y HA 0.518 5.068 4.550 -0.000 0.000 0.343 443 Y C 0.714 176.658 175.900 0.072 0.000 1.068 443 Y CA -0.709 57.430 58.100 0.066 0.000 1.307 443 Y CB 0.731 39.289 38.460 0.163 0.000 1.097 443 Y HN -0.084 nan 8.280 nan 0.000 0.530 452 L N 1.073 122.305 121.223 0.016 0.000 2.131 452 L HA 0.124 4.464 4.340 -0.000 0.000 0.206 452 L C 2.633 179.529 176.870 0.044 0.000 1.087 452 L CA 1.843 56.684 54.840 0.001 0.000 0.767 452 L CB -0.610 41.419 42.059 -0.051 0.000 0.917 452 L HN 0.393 nan 8.230 nan 0.000 0.441 453 R N 0.765 121.307 120.500 0.069 0.000 2.112 453 R HA -0.270 4.070 4.340 -0.000 0.000 0.242 453 R C 2.108 178.475 176.300 0.112 0.000 1.137 453 R CA 2.228 58.388 56.100 0.100 0.000 0.944 453 R CB -0.118 30.239 30.300 0.095 0.000 0.857 453 R HN 0.221 nan 8.270 nan 0.000 0.435 454 E N -0.671 119.592 120.200 0.104 0.000 2.150 454 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 454 E C 1.739 178.442 176.600 0.172 0.000 0.985 454 E CA 1.630 58.111 56.400 0.136 0.000 0.814 454 E CB -0.048 29.710 29.700 0.096 0.000 0.752 454 E HN 0.329 nan 8.360 nan 0.000 0.466 455 T N 0.762 115.386 114.554 0.116 0.000 2.857 455 T HA -0.059 4.291 4.350 -0.000 0.000 0.266 455 T C 1.591 176.399 174.700 0.179 0.000 1.048 455 T CA 0.830 63.004 62.100 0.123 0.000 1.139 455 T CB -0.024 68.861 68.868 0.028 0.000 0.874 455 T HN 0.096 nan 8.240 nan 0.000 0.455 456 I N 1.479 122.133 120.570 0.140 0.000 2.163 456 I HA -0.078 4.092 4.170 -0.000 0.000 0.240 456 I C 2.329 178.626 176.117 0.301 0.000 1.081 456 I CA 1.398 62.804 61.300 0.177 0.000 1.353 456 I CB -1.094 36.993 38.000 0.145 0.000 1.054 456 I HN 0.244 nan 8.210 nan 0.000 0.407 457 K N 0.185 120.743 120.400 0.264 0.000 2.074 457 K HA -0.249 4.071 4.320 -0.000 0.000 0.209 457 K C 2.181 179.030 176.600 0.415 0.000 1.048 457 K CA 1.802 58.303 56.287 0.357 0.000 0.926 457 K CB -0.455 32.242 32.500 0.329 0.000 0.713 457 K HN 0.184 nan 8.250 nan 0.000 0.444 458 F N 1.662 121.800 119.950 0.314 0.000 2.051 458 F HA -0.217 4.310 4.527 -0.000 0.000 0.296 458 F C 2.139 178.141 175.800 0.337 0.000 1.122 458 F CA 1.443 59.710 58.000 0.445 0.000 1.201 458 F CB -0.207 38.967 39.000 0.290 0.000 0.978 458 F HN -0.093 nan 8.300 nan 0.000 0.472 459 M N -0.909 118.776 119.600 0.142 0.000 2.337 459 M HA -0.232 4.248 4.480 -0.000 0.000 0.261 459 M C 0.722 176.800 176.300 -0.369 0.000 1.067 459 M CA 1.495 56.698 55.300 -0.162 0.000 1.074 459 M CB -1.505 31.008 32.600 -0.146 0.000 1.395 459 M HN 0.281 nan 8.290 nan 0.000 0.431 460 Y N -0.604 119.676 120.300 -0.033 0.000 2.774 460 Y HA 0.233 4.783 4.550 -0.000 0.000 0.305 460 Y C 0.045 175.858 175.900 -0.145 0.000 1.067 460 Y CA -0.315 57.786 58.100 0.002 0.000 1.304 460 Y CB 0.394 38.961 38.460 0.178 0.000 1.209 460 Y HN -0.119 nan 8.280 nan 0.000 0.543 461 T N 0.157 114.481 114.554 -0.384 0.000 2.890 461 T HA 0.065 4.415 4.350 -0.000 0.000 0.295 461 T C -1.102 173.002 174.700 -0.994 0.000 0.993 461 T CA -0.774 60.828 62.100 -0.830 0.000 0.979 461 T CB 0.780 68.824 68.868 -1.374 0.000 0.967 461 T HN 0.091 nan 8.240 nan 0.000 0.441 462 D N 2.293 122.318 120.400 -0.626 0.000 2.416 462 D HA 0.093 4.733 4.640 -0.000 0.000 0.240 462 D C 0.461 176.506 176.300 -0.425 0.000 1.250 462 D CA -0.480 53.274 54.000 -0.410 0.000 0.967 462 D CB 0.272 40.934 40.800 -0.230 0.000 1.059 462 D HN 0.588 nan 8.370 nan 0.000 0.512 463 W N 2.954 124.144 121.300 -0.182 0.000 2.468 463 W HA -0.028 4.632 4.660 -0.000 0.000 0.262 463 W C 2.054 178.506 176.519 -0.112 0.000 1.241 463 W CA 0.409 57.663 57.345 -0.151 0.000 1.232 463 W CB -0.096 29.291 29.460 -0.121 0.000 1.124 463 W HN 0.547 nan 8.180 nan 0.000 0.597 464 A N 0.015 122.881 122.820 0.076 0.000 2.310 464 A HA 0.051 4.371 4.320 -0.000 0.000 0.230 464 A C 0.577 178.156 177.584 -0.009 0.000 1.294 464 A CA 1.006 53.067 52.037 0.039 0.000 0.898 464 A CB -0.334 18.681 19.000 0.026 0.000 0.917 464 A HN 0.157 nan 8.150 nan 0.000 0.491 465 D N -0.696 119.671 120.400 -0.056 0.000 4.356 465 D HA -0.053 4.586 4.640 -0.000 0.000 0.212 465 D C 0.829 177.020 176.300 -0.181 0.000 1.367 465 D CA 0.065 54.015 54.000 -0.082 0.000 0.791 465 D CB -0.594 40.160 40.800 -0.077 0.000 1.503 465 D HN 0.528 nan 8.370 nan 0.000 0.800 466 R N -0.315 120.031 120.500 -0.256 0.000 2.425 466 R HA -0.006 4.334 4.340 -0.000 0.000 0.206 466 R C 0.315 176.275 176.300 -0.566 0.000 1.117 466 R CA 1.328 57.148 56.100 -0.467 0.000 1.098 466 R CB -0.557 29.500 30.300 -0.404 0.000 0.843 466 R HN 0.280 nan 8.270 nan 0.000 0.480 467 H N -1.757 117.239 119.070 -0.123 0.000 3.643 467 H HA 0.151 4.707 4.556 -0.000 0.000 0.256 467 H C -0.230 175.032 175.328 -0.110 0.000 1.107 467 H CA -0.686 55.300 56.048 -0.104 0.000 1.175 467 H CB 0.439 30.169 29.762 -0.054 0.000 1.519 467 H HN 0.110 nan 8.280 nan 0.000 0.565 468 N N 2.852 121.543 118.700 -0.016 0.000 2.429 468 N HA -0.034 4.706 4.740 -0.000 0.000 0.271 468 N C -2.002 173.453 175.510 -0.091 0.000 1.272 468 N CA -1.209 51.813 53.050 -0.046 0.000 0.921 468 N CB 1.101 39.553 38.487 -0.057 0.000 1.128 468 N HN 0.115 nan 8.380 nan 0.000 0.481 469 P HA -0.049 nan 4.420 nan 0.000 0.220 469 P C 0.584 177.800 177.300 -0.140 0.000 1.148 469 P CA 1.082 64.116 63.100 -0.110 0.000 0.803 469 P CB 0.400 32.049 31.700 -0.086 0.000 0.782 470 E N -1.219 118.906 120.200 -0.125 0.000 2.107 470 E HA -0.089 4.261 4.350 -0.000 0.000 0.191 470 E C 1.715 178.241 176.600 -0.124 0.000 0.982 470 E CA 1.246 57.560 56.400 -0.144 0.000 0.809 470 E CB -0.504 29.139 29.700 -0.094 0.000 0.756 470 E HN 0.217 nan 8.360 nan 0.000 0.459 471 T N 0.679 115.169 114.554 -0.107 0.000 2.770 471 T HA -0.123 4.227 4.350 -0.000 0.000 0.263 471 T C 1.790 176.402 174.700 -0.146 0.000 1.039 471 T CA 0.817 62.855 62.100 -0.103 0.000 1.142 471 T CB -0.137 68.664 68.868 -0.113 0.000 0.868 471 T HN 0.085 nan 8.240 nan 0.000 0.435 472 R N 0.919 121.294 120.500 -0.208 0.000 2.211 472 R HA -0.113 4.227 4.340 -0.000 0.000 0.240 472 R C 2.509 178.702 176.300 -0.178 0.000 1.144 472 R CA 1.244 57.158 56.100 -0.309 0.000 0.992 472 R CB -0.077 30.025 30.300 -0.330 0.000 0.869 472 R HN 0.271 nan 8.270 nan 0.000 0.462 473 R N 0.490 120.910 120.500 -0.132 0.000 2.066 473 R HA -0.051 4.289 4.340 -0.000 0.000 0.224 473 R C 1.769 178.058 176.300 -0.018 0.000 1.122 473 R CA 1.082 57.119 56.100 -0.104 0.000 0.974 473 R CB 0.011 30.155 30.300 -0.259 0.000 0.871 473 R HN 0.102 nan 8.270 nan 0.000 0.435 474 K N 0.102 120.495 120.400 -0.012 0.000 2.020 474 K HA -0.170 4.150 4.320 -0.000 0.000 0.212 474 K C 2.132 178.811 176.600 0.132 0.000 1.050 474 K CA 2.507 58.841 56.287 0.079 0.000 0.929 474 K CB -0.357 32.185 32.500 0.071 0.000 0.714 474 K HN 0.425 nan 8.250 nan 0.000 0.443 475 T N 0.324 114.945 114.554 0.110 0.000 2.777 475 T HA -0.126 4.224 4.350 -0.000 0.000 0.266 475 T C 1.876 176.757 174.700 0.302 0.000 1.040 475 T CA 0.935 63.169 62.100 0.223 0.000 1.141 475 T CB -0.321 68.636 68.868 0.149 0.000 0.868 475 T HN 0.074 nan 8.240 nan 0.000 0.444 476 L N 0.828 122.223 121.223 0.286 0.000 2.131 476 L HA 0.224 4.564 4.340 -0.000 0.000 0.210 476 L C 2.272 179.273 176.870 0.218 0.000 1.092 476 L CA 1.376 56.393 54.840 0.295 0.000 0.759 476 L CB -0.900 41.344 42.059 0.308 0.000 0.903 476 L HN 0.443 nan 8.230 nan 0.000 0.435 477 L N -1.135 120.224 121.223 0.227 0.000 2.131 477 L HA 0.001 4.340 4.340 -0.000 0.000 0.206 477 L C 2.434 179.487 176.870 0.304 0.000 1.087 477 L CA 1.272 56.293 54.840 0.303 0.000 0.767 477 L CB -0.401 41.818 42.059 0.267 0.000 0.917 477 L HN 0.257 nan 8.230 nan 0.000 0.441 478 A N 0.141 123.122 122.820 0.269 0.000 1.933 478 A HA -0.229 4.091 4.320 -0.000 0.000 0.218 478 A C 2.255 179.987 177.584 0.247 0.000 1.175 478 A CA 1.810 54.030 52.037 0.306 0.000 0.628 478 A CB -0.892 18.340 19.000 0.386 0.000 0.814 478 A HN 0.549 nan 8.150 nan 0.000 0.444 479 L N -1.909 119.286 121.223 -0.046 0.000 1.963 479 L HA -0.243 4.097 4.340 -0.000 0.000 0.220 479 L C 2.414 179.165 176.870 -0.199 0.000 1.076 479 L CA 2.453 56.963 54.840 -0.550 0.000 0.772 479 L CB -0.429 41.182 42.059 -0.748 0.000 0.892 479 L HN 0.430 nan 8.230 nan 0.000 0.435 480 F N 0.509 120.276 119.950 -0.305 0.000 2.026 480 F HA -0.293 4.234 4.527 -0.000 0.000 0.296 480 F C 2.623 178.391 175.800 -0.053 0.000 1.133 480 F CA 2.313 60.060 58.000 -0.422 0.000 1.188 480 F CB -0.928 37.730 39.000 -0.571 0.000 0.968 480 F HN 0.100 nan 8.300 nan 0.000 0.476 481 T N 0.187 114.950 114.554 0.348 0.000 2.649 481 T HA -0.273 4.077 4.350 -0.000 0.000 0.268 481 T C 1.488 176.351 174.700 0.271 0.000 1.036 481 T CA 1.916 64.252 62.100 0.394 0.000 1.157 481 T CB -0.536 68.499 68.868 0.278 0.000 0.861 481 T HN 0.239 nan 8.240 nan 0.000 0.445 482 D N -0.205 120.320 120.400 0.208 0.000 2.078 482 D HA -0.103 4.537 4.640 -0.000 0.000 0.193 482 D C 1.972 178.228 176.300 -0.075 0.000 0.990 482 D CA 1.086 55.206 54.000 0.200 0.000 0.827 482 D CB -0.650 40.426 40.800 0.460 0.000 0.975 482 D HN 0.425 nan 8.370 nan 0.000 0.451 483 H N 0.646 119.423 119.070 -0.489 0.000 2.293 483 H HA -0.049 4.507 4.556 -0.000 0.000 0.300 483 H C 1.767 176.631 175.328 -0.772 0.000 1.082 483 H CA 1.381 56.875 56.048 -0.924 0.000 1.308 483 H CB 0.330 29.383 29.762 -1.182 0.000 1.375 483 H HN 0.047 nan 8.280 nan 0.000 0.495 484 Q N -1.131 118.259 119.800 -0.684 0.000 2.311 484 Q HA -0.078 4.262 4.340 -0.000 0.000 0.203 484 Q C 1.846 177.221 176.000 -1.042 0.000 0.954 484 Q CA 0.725 55.827 55.803 -1.169 0.000 0.885 484 Q CB 0.283 27.843 28.738 -1.963 0.000 0.963 484 Q HN 0.622 nan 8.270 nan 0.000 0.471 485 W N -1.372 119.737 121.300 -0.318 0.000 4.332 485 W HA 0.089 4.749 4.660 -0.000 0.000 0.205 485 W C 1.904 178.366 176.519 -0.095 0.000 0.907 485 W CA -0.019 57.215 57.345 -0.184 0.000 2.184 485 W CB -0.388 28.995 29.460 -0.128 0.000 0.933 485 W HN -0.211 nan 8.180 nan 0.000 0.867 486 V N 1.833 121.895 119.914 0.247 0.000 2.252 486 V HA -0.313 3.807 4.120 -0.000 0.000 0.249 486 V C 2.500 178.699 176.094 0.174 0.000 1.056 486 V CA 2.883 65.342 62.300 0.264 0.000 1.022 486 V CB -1.688 30.329 31.823 0.324 0.000 0.641 486 V HN 0.148 nan 8.190 nan 0.000 0.445 487 A N 0.565 123.417 122.820 0.052 0.000 1.865 487 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 487 A C 0.657 178.226 177.584 -0.026 0.000 1.191 487 A CA 2.232 54.277 52.037 0.013 0.000 0.623 487 A CB -1.956 16.988 19.000 -0.092 0.000 0.826 487 A HN 0.554 nan 8.150 nan 0.000 0.444 488 P HA -0.079 nan 4.420 nan 0.000 0.217 488 P C 1.761 179.052 177.300 -0.015 0.000 1.150 488 P CA 1.809 64.839 63.100 -0.117 0.000 0.832 488 P CB -0.107 31.457 31.700 -0.227 0.000 0.787 489 A N -0.348 122.502 122.820 0.050 0.000 1.841 489 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 489 A C 2.333 180.073 177.584 0.260 0.000 1.199 489 A CA 2.271 54.389 52.037 0.136 0.000 0.621 489 A CB -1.805 17.303 19.000 0.180 0.000 0.835 489 A HN 0.010 nan 8.150 nan 0.000 0.445 490 V N 0.116 120.193 119.914 0.272 0.000 2.324 490 V HA -0.304 3.815 4.120 -0.000 0.000 0.250 490 V C 3.060 179.203 176.094 0.080 0.000 1.060 490 V CA 2.117 64.481 62.300 0.107 0.000 1.042 490 V CB -1.532 30.318 31.823 0.045 0.000 0.650 490 V HN 0.660 nan 8.190 nan 0.000 0.450 491 A N -0.213 122.650 122.820 0.072 0.000 1.892 491 A HA -0.305 4.015 4.320 -0.000 0.000 0.218 491 A C 2.408 180.028 177.584 0.059 0.000 1.188 491 A CA 2.902 54.972 52.037 0.055 0.000 0.631 491 A CB -1.155 17.855 19.000 0.015 0.000 0.822 491 A HN 0.515 nan 8.150 nan 0.000 0.447 492 T N 0.039 114.623 114.554 0.051 0.000 2.674 492 T HA -0.009 4.340 4.350 -0.000 0.000 0.265 492 T C 2.274 177.034 174.700 0.100 0.000 1.039 492 T CA 1.845 63.980 62.100 0.059 0.000 1.150 492 T CB -0.593 68.302 68.868 0.045 0.000 0.864 492 T HN 0.651 nan 8.240 nan 0.000 0.427 493 A N 1.671 124.516 122.820 0.041 0.000 1.948 493 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 493 A C 2.036 179.628 177.584 0.013 0.000 1.177 493 A CA 2.267 54.244 52.037 -0.100 0.000 0.636 493 A CB -0.889 17.820 19.000 -0.485 0.000 0.815 493 A HN 0.449 nan 8.150 nan 0.000 0.449 494 D N -0.399 120.062 120.400 0.101 0.000 2.117 494 D HA -0.085 4.554 4.640 -0.000 0.000 0.197 494 D C 1.864 178.274 176.300 0.184 0.000 0.987 494 D CA 1.125 55.255 54.000 0.217 0.000 0.829 494 D CB -0.140 40.764 40.800 0.174 0.000 0.961 494 D HN 0.472 nan 8.370 nan 0.000 0.460 495 L N -0.520 120.811 121.223 0.180 0.000 2.127 495 L HA -0.060 4.280 4.340 -0.000 0.000 0.203 495 L C 2.350 179.475 176.870 0.424 0.000 1.080 495 L CA 0.712 55.703 54.840 0.253 0.000 0.768 495 L CB -0.334 41.878 42.059 0.255 0.000 0.924 495 L HN 0.198 nan 8.230 nan 0.000 0.444 496 H N 0.043 119.282 119.070 0.282 0.000 2.387 496 H HA -0.138 4.418 4.556 -0.000 0.000 0.299 496 H C 2.530 178.080 175.328 0.370 0.000 1.099 496 H CA 1.907 58.160 56.048 0.341 0.000 1.315 496 H CB 0.192 30.013 29.762 0.098 0.000 1.380 496 H HN 0.413 nan 8.280 nan 0.000 0.513 497 S N 0.440 116.366 115.700 0.377 0.000 2.348 497 S HA -0.154 4.315 4.470 -0.000 0.000 0.219 497 S C 1.954 176.672 174.600 0.196 0.000 1.033 497 S CA 1.036 59.404 58.200 0.279 0.000 0.974 497 S CB -0.523 62.845 63.200 0.281 0.000 0.868 497 S HN 0.400 nan 8.310 nan 0.000 0.459 498 N N 0.601 119.367 118.700 0.109 0.000 2.586 498 N HA -0.077 4.663 4.740 -0.000 0.000 0.191 498 N C 0.228 175.596 175.510 -0.236 0.000 1.085 498 N CA 0.877 53.864 53.050 -0.105 0.000 0.921 498 N CB -0.526 37.811 38.487 -0.250 0.000 0.954 498 N HN 0.474 nan 8.380 nan 0.000 0.448 499 F N -1.316 118.720 119.950 0.143 0.000 2.698 499 F HA 0.429 4.956 4.527 -0.000 0.000 0.304 499 F C 1.725 177.560 175.800 0.057 0.000 1.108 499 F CA 0.141 58.175 58.000 0.057 0.000 1.263 499 F CB 0.733 39.710 39.000 -0.038 0.000 1.013 499 F HN 0.093 nan 8.300 nan 0.000 0.532 500 G N -0.562 108.380 108.800 0.238 0.000 2.308 500 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.221 500 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.221 500 G C 0.534 175.556 174.900 0.203 0.000 1.032 500 G CA 0.004 45.209 45.100 0.176 0.000 0.623 500 G HN 0.176 nan 8.290 nan 0.000 0.506 501 S N 3.444 119.332 115.700 0.313 0.000 2.544 501 S HA 0.414 4.884 4.470 -0.000 0.000 0.290 501 S C -2.231 172.513 174.600 0.240 0.000 1.276 501 S CA -0.079 58.321 58.200 0.334 0.000 1.075 501 S CB 1.164 64.709 63.200 0.574 0.000 0.849 501 S HN 0.310 nan 8.310 nan 0.000 0.494 502 P HA 0.219 nan 4.420 nan 0.000 0.276 502 P C -0.676 176.694 177.300 0.117 0.000 1.264 502 P CA 0.014 63.185 63.100 0.118 0.000 0.769 502 P CB 0.568 32.358 31.700 0.150 0.000 0.840 503 T N 3.572 118.126 114.554 0.001 0.000 2.885 503 T HA 0.540 4.890 4.350 -0.000 0.000 0.285 503 T C -0.899 173.681 174.700 -0.199 0.000 1.019 503 T CA -0.231 61.873 62.100 0.008 0.000 1.010 503 T CB 0.703 69.625 68.868 0.090 0.000 1.022 503 T HN 0.103 nan 8.240 nan 0.000 0.466 504 Y N 1.028 121.318 120.300 -0.016 0.000 2.406 504 Y HA 0.646 5.196 4.550 -0.000 0.000 0.340 504 Y C -0.781 175.258 175.900 0.233 0.000 0.975 504 Y CA -1.241 56.849 58.100 -0.017 0.000 1.056 504 Y CB 1.556 39.569 38.460 -0.745 0.000 1.210 504 Y HN 0.640 nan 8.280 nan 0.000 0.448 505 F N 4.820 125.131 119.950 0.601 0.000 2.508 505 F HA 0.668 5.195 4.527 -0.000 0.000 0.325 505 F C -1.253 174.951 175.800 0.672 0.000 1.090 505 F CA -1.378 56.895 58.000 0.455 0.000 0.945 505 F CB 1.152 40.308 39.000 0.261 0.000 1.156 505 F HN 0.429 nan 8.300 nan 0.000 0.463 506 Y N 2.449 122.938 120.300 0.315 0.000 2.553 506 Y HA 0.885 5.435 4.550 -0.000 0.000 0.347 506 Y C -1.720 174.233 175.900 0.089 0.000 1.019 506 Y CA -1.726 56.505 58.100 0.218 0.000 1.032 506 Y CB 1.154 39.654 38.460 0.067 0.000 1.284 506 Y HN 0.771 nan 8.280 nan 0.000 0.466 507 A N 3.120 126.062 122.820 0.203 0.000 2.330 507 A HA 0.658 4.978 4.320 -0.000 0.000 0.313 507 A C -2.184 175.533 177.584 0.221 0.000 1.124 507 A CA -0.519 51.482 52.037 -0.059 0.000 0.774 507 A CB 0.511 19.360 19.000 -0.253 0.000 1.198 507 A HN 0.692 nan 8.150 nan 0.000 0.465 508 F N 2.877 122.827 119.950 0.000 0.000 2.350 508 F HA 0.528 5.055 4.527 -0.000 0.000 0.365 508 F C -0.959 174.762 175.800 -0.132 0.000 1.122 508 F CA -0.625 57.392 58.000 0.029 0.000 1.139 508 F CB 0.695 39.758 39.000 0.105 0.000 1.220 508 F HN 0.538 nan 8.300 nan 0.000 0.499 509 Y N 5.180 125.209 120.300 -0.451 0.000 2.726 509 Y HA 0.324 4.874 4.550 -0.000 0.000 0.367 509 Y C -0.584 175.173 175.900 -0.238 0.000 1.038 509 Y CA -0.626 57.321 58.100 -0.255 0.000 1.174 509 Y CB -0.029 38.368 38.460 -0.105 0.000 1.265 509 Y HN 0.621 nan 8.280 nan 0.000 0.622 510 H N 0.694 119.490 119.070 -0.458 0.000 3.141 510 H HA 0.271 4.827 4.556 -0.000 0.000 0.309 510 H C -1.401 173.796 175.328 -0.217 0.000 1.083 510 H CA -0.818 55.041 56.048 -0.315 0.000 1.466 510 H CB 0.668 30.146 29.762 -0.474 0.000 2.095 510 H HN 0.428 nan 8.280 nan 0.000 0.467 511 H N 2.084 120.821 119.070 -0.555 0.000 2.908 511 H HA 0.517 5.073 4.556 -0.000 0.000 0.350 511 H C -0.755 174.469 175.328 -0.173 0.000 1.217 511 H CA -1.127 54.793 56.048 -0.213 0.000 1.168 511 H CB 0.941 30.660 29.762 -0.070 0.000 1.891 511 H HN 0.579 nan 8.280 nan 0.000 0.566 512 c N 1.768 120.425 118.600 0.094 0.000 2.347 512 c HA 0.196 4.766 4.570 -0.000 0.000 0.353 512 c C 0.247 174.251 174.090 -0.143 0.000 1.273 512 c CA -0.170 56.182 56.329 0.039 0.000 1.861 512 c CB -0.531 42.114 42.510 0.226 0.000 2.420 512 c HN 0.742 nan 8.230 nan 0.000 0.542 513 Q N 3.923 123.576 119.800 -0.245 0.000 2.361 513 Q HA 0.407 4.747 4.340 -0.000 0.000 0.250 513 Q C 0.459 176.393 176.000 -0.109 0.000 1.023 513 Q CA 0.361 56.047 55.803 -0.195 0.000 0.915 513 Q CB 0.718 29.331 28.738 -0.207 0.000 1.238 513 Q HN 0.934 nan 8.270 nan 0.000 0.451 514 T N -0.301 114.214 114.554 -0.065 0.000 2.768 514 T HA 0.457 4.807 4.350 -0.000 0.000 0.268 514 T C 0.258 174.929 174.700 -0.047 0.000 0.969 514 T CA 0.124 62.185 62.100 -0.064 0.000 1.008 514 T CB 0.667 69.504 68.868 -0.052 0.000 1.371 514 T HN 0.540 nan 8.240 nan 0.000 0.587 515 D N -1.283 119.092 120.400 -0.042 0.000 2.379 515 D HA 0.114 4.754 4.640 -0.000 0.000 0.208 515 D C 1.768 178.050 176.300 -0.030 0.000 1.065 515 D CA -0.081 53.899 54.000 -0.033 0.000 0.848 515 D CB 0.073 40.857 40.800 -0.027 0.000 0.949 515 D HN 0.244 nan 8.370 nan 0.000 0.509 516 Q N 0.480 120.264 119.800 -0.027 0.000 2.212 516 Q HA 0.081 4.421 4.340 -0.000 0.000 0.199 516 Q C 0.675 176.654 176.000 -0.036 0.000 0.950 516 Q CA 0.555 56.346 55.803 -0.021 0.000 0.863 516 Q CB 0.610 29.342 28.738 -0.009 0.000 0.944 516 Q HN 0.468 nan 8.270 nan 0.000 0.465 517 V N -0.372 119.512 119.914 -0.050 0.000 2.394 517 V HA 0.485 4.604 4.120 -0.000 0.000 0.282 517 V C -2.518 173.462 176.094 -0.190 0.000 1.031 517 V CA -2.607 59.629 62.300 -0.108 0.000 0.881 517 V CB 1.011 32.799 31.823 -0.058 0.000 0.982 517 V HN -0.113 nan 8.190 nan 0.000 0.451 518 P HA 0.126 nan 4.420 nan 0.000 0.270 518 P C 0.872 177.881 177.300 -0.485 0.000 1.216 518 P CA 0.725 63.529 63.100 -0.493 0.000 0.788 518 P CB 0.648 31.758 31.700 -0.982 0.000 0.883 519 A N 2.306 124.945 122.820 -0.301 0.000 1.929 519 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 519 A C 1.735 179.274 177.584 -0.076 0.000 1.176 519 A CA 1.015 52.987 52.037 -0.109 0.000 0.628 519 A CB -1.323 17.689 19.000 0.019 0.000 0.816 519 A HN 0.843 nan 8.150 nan 0.000 0.444 520 W N -0.448 120.887 121.300 0.059 0.000 2.825 520 W HA 0.447 5.107 4.660 -0.000 0.000 0.243 520 W C 0.574 177.117 176.519 0.040 0.000 1.293 520 W CA -0.046 57.330 57.345 0.052 0.000 1.403 520 W CB -0.922 28.561 29.460 0.038 0.000 1.134 520 W HN 0.362 nan 8.180 nan 0.000 0.666 521 A N 1.956 124.453 122.820 -0.539 0.000 2.296 521 A HA 0.350 4.670 4.320 -0.000 0.000 0.264 521 A C 0.073 177.473 177.584 -0.306 0.000 1.097 521 A CA 0.042 51.792 52.037 -0.478 0.000 0.811 521 A CB 0.520 19.065 19.000 -0.760 0.000 1.072 521 A HN 0.218 nan 8.150 nan 0.000 0.495 522 D N -1.062 119.116 120.400 -0.370 0.000 2.801 522 D HA 0.491 5.130 4.640 -0.000 0.000 0.277 522 D C -0.213 175.680 176.300 -0.679 0.000 1.125 522 D CA -0.092 53.586 54.000 -0.538 0.000 1.102 522 D CB 1.121 41.832 40.800 -0.148 0.000 1.400 522 D HN 0.707 nan 8.370 nan 0.000 0.601 523 A N 0.283 122.840 122.820 -0.438 0.000 2.524 523 A HA 0.408 4.728 4.320 -0.000 0.000 0.271 523 A C 0.313 177.809 177.584 -0.146 0.000 1.097 523 A CA 0.380 52.302 52.037 -0.192 0.000 0.791 523 A CB -0.783 18.179 19.000 -0.063 0.000 1.028 523 A HN 0.510 nan 8.150 nan 0.000 0.518 524 A N 2.487 125.247 122.820 -0.099 0.000 2.239 524 A HA 0.551 4.871 4.320 -0.000 0.000 0.303 524 A C 0.335 177.909 177.584 -0.017 0.000 1.114 524 A CA -0.571 51.424 52.037 -0.070 0.000 0.871 524 A CB -0.073 18.900 19.000 -0.045 0.000 1.201 524 A HN 1.036 nan 8.150 nan 0.000 0.506 525 H N -0.465 118.476 119.070 -0.214 0.000 3.217 525 H HA 0.313 4.869 4.556 -0.000 0.000 0.272 525 H C 1.332 176.639 175.328 -0.035 0.000 0.929 525 H CA 1.226 57.128 56.048 -0.243 0.000 1.425 525 H CB -0.286 29.297 29.762 -0.298 0.000 1.505 525 H HN 1.459 nan 8.280 nan 0.000 0.542 526 G N 4.601 113.405 108.800 0.007 0.000 2.176 526 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.232 526 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.232 526 G C 1.106 176.226 174.900 0.366 0.000 0.986 526 G CA 0.278 45.463 45.100 0.142 0.000 0.643 526 G HN 0.629 nan 8.290 nan 0.000 0.522 527 D N 0.959 121.528 120.400 0.281 0.000 2.378 527 D HA -0.034 4.606 4.640 -0.000 0.000 0.222 527 D C 2.338 178.796 176.300 0.264 0.000 0.980 527 D CA 1.232 55.438 54.000 0.344 0.000 0.907 527 D CB 0.124 41.107 40.800 0.305 0.000 0.899 527 D HN 0.783 nan 8.370 nan 0.000 0.527 528 E N 0.652 120.870 120.200 0.029 0.000 2.250 528 E HA -0.070 4.279 4.350 -0.000 0.000 0.192 528 E C 2.092 178.576 176.600 -0.195 0.000 0.986 528 E CA 0.291 56.443 56.400 -0.413 0.000 0.849 528 E CB -0.513 28.710 29.700 -0.794 0.000 0.797 528 E HN 0.041 nan 8.360 nan 0.000 0.482 529 V N 3.195 123.096 119.914 -0.021 0.000 2.278 529 V HA -0.204 3.916 4.120 -0.000 0.000 0.251 529 V C -0.217 175.687 176.094 -0.317 0.000 1.062 529 V CA 2.637 64.890 62.300 -0.078 0.000 1.038 529 V CB -1.837 30.067 31.823 0.134 0.000 0.646 529 V HN 0.317 nan 8.190 nan 0.000 0.447 530 P HA -0.155 nan 4.420 nan 0.000 0.226 530 P C 1.172 178.118 177.300 -0.589 0.000 1.153 530 P CA 1.615 64.204 63.100 -0.852 0.000 0.777 530 P CB -0.095 31.053 31.700 -0.920 0.000 0.794 531 Y N -0.981 119.071 120.300 -0.413 0.000 2.448 531 Y HA 0.005 4.555 4.550 -0.000 0.000 0.289 531 Y C 2.479 178.110 175.900 -0.448 0.000 1.114 531 Y CA 0.104 57.988 58.100 -0.360 0.000 1.235 531 Y CB -0.329 38.031 38.460 -0.166 0.000 1.045 531 Y HN -0.277 nan 8.280 nan 0.000 0.554 532 V N 0.147 119.839 119.914 -0.370 0.000 2.951 532 V HA -0.160 3.959 4.120 -0.000 0.000 0.255 532 V C 1.523 177.420 176.094 -0.328 0.000 1.088 532 V CA 1.245 63.240 62.300 -0.508 0.000 1.109 532 V CB -0.197 31.277 31.823 -0.582 0.000 0.724 532 V HN 0.409 nan 8.190 nan 0.000 0.471 533 L N 0.277 121.292 121.223 -0.347 0.000 2.607 533 L HA 0.340 4.680 4.340 -0.000 0.000 0.228 533 L C 1.708 178.384 176.870 -0.323 0.000 1.123 533 L CA 0.735 55.390 54.840 -0.309 0.000 0.890 533 L CB -0.417 41.428 42.059 -0.358 0.000 1.103 533 L HN 0.504 nan 8.230 nan 0.000 0.468 534 G N 0.650 109.226 108.800 -0.373 0.000 2.203 534 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.263 534 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.263 534 G C 0.972 175.587 174.900 -0.476 0.000 1.012 534 G CA 0.318 45.179 45.100 -0.398 0.000 0.749 534 G HN 0.222 nan 8.290 nan 0.000 0.512 535 I N 0.956 121.165 120.570 -0.602 0.000 2.151 535 I HA -0.146 4.023 4.170 -0.000 0.000 0.243 535 I C 0.595 176.252 176.117 -0.767 0.000 1.080 535 I CA 2.087 63.010 61.300 -0.629 0.000 1.339 535 I CB -1.958 35.580 38.000 -0.769 0.000 1.039 535 I HN 0.145 nan 8.210 nan 0.000 0.409 536 P HA -0.173 nan 4.420 nan 0.000 0.217 536 P C 1.973 178.966 177.300 -0.511 0.000 1.148 536 P CA 1.522 63.934 63.100 -1.146 0.000 0.834 536 P CB -0.132 30.931 31.700 -1.062 0.000 0.783 537 M N -1.361 117.980 119.600 -0.431 0.000 2.630 537 M HA 0.006 4.486 4.480 -0.000 0.000 0.254 537 M C 1.333 177.522 176.300 -0.185 0.000 1.092 537 M CA 1.198 56.330 55.300 -0.280 0.000 1.087 537 M CB -0.440 31.980 32.600 -0.300 0.000 1.453 537 M HN 0.062 nan 8.290 nan 0.000 0.509 538 I N -3.387 117.073 120.570 -0.182 0.000 3.817 538 I HA 0.523 4.693 4.170 -0.000 0.000 0.325 538 I C 0.540 176.635 176.117 -0.037 0.000 1.550 538 I CA -0.588 60.656 61.300 -0.093 0.000 1.100 538 I CB -0.223 37.729 38.000 -0.080 0.000 1.216 538 I HN 0.181 nan 8.210 nan 0.000 0.481 539 G N 2.468 111.256 108.800 -0.019 0.000 2.953 539 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.421 539 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.421 539 G C -2.594 172.428 174.900 0.204 0.000 1.531 539 G CA -0.824 44.342 45.100 0.109 0.000 0.971 539 G HN 0.327 nan 8.290 nan 0.000 0.558 540 P HA 0.218 nan 4.420 nan 0.000 0.267 540 P C 0.651 178.041 177.300 0.151 0.000 1.175 540 P CA 1.290 64.509 63.100 0.198 0.000 0.763 540 P CB 0.465 32.181 31.700 0.028 0.000 0.795 541 T N -2.041 112.616 114.554 0.171 0.000 2.901 541 T HA 0.286 4.636 4.350 -0.000 0.000 0.293 541 T C 0.990 175.742 174.700 0.086 0.000 1.084 541 T CA -0.729 61.447 62.100 0.126 0.000 1.008 541 T CB 1.529 70.495 68.868 0.162 0.000 1.170 541 T HN 0.402 nan 8.240 nan 0.000 0.509 542 E N -0.349 119.887 120.200 0.059 0.000 2.130 542 E HA -0.154 4.196 4.350 -0.000 0.000 0.196 542 E C 1.595 178.196 176.600 0.001 0.000 0.998 542 E CA 1.151 57.567 56.400 0.027 0.000 0.806 542 E CB -0.069 29.645 29.700 0.024 0.000 0.738 542 E HN 0.544 nan 8.360 nan 0.000 0.459 543 L N -0.260 120.962 121.223 -0.002 0.000 2.034 543 L HA 0.033 4.373 4.340 -0.000 0.000 0.203 543 L C 0.359 176.994 176.870 -0.392 0.000 1.074 543 L CA 1.484 56.200 54.840 -0.205 0.000 0.748 543 L CB -0.097 41.794 42.059 -0.280 0.000 0.905 543 L HN 0.022 nan 8.230 nan 0.000 0.439 544 F N 1.440 121.363 119.950 -0.044 0.000 2.329 544 F HA 0.330 4.857 4.527 -0.000 0.000 0.362 544 F C -1.332 174.461 175.800 -0.013 0.000 1.113 544 F CA -1.923 56.073 58.000 -0.007 0.000 1.212 544 F CB 0.170 39.199 39.000 0.049 0.000 1.509 544 F HN 0.085 nan 8.300 nan 0.000 0.546 545 P HA -0.183 nan 4.420 nan 0.000 0.216 545 P C 0.999 178.197 177.300 -0.171 0.000 1.153 545 P CA 0.578 63.652 63.100 -0.044 0.000 0.848 545 P CB 0.059 31.730 31.700 -0.048 0.000 0.787 546 c N 2.109 120.552 118.600 -0.261 0.000 2.133 546 c HA -0.092 4.478 4.570 -0.000 0.000 0.391 546 c C 0.833 174.501 174.090 -0.704 0.000 1.507 546 c CA 0.082 56.127 56.329 -0.473 0.000 1.498 546 c CB -1.778 40.398 42.510 -0.557 0.000 2.583 546 c HN 0.241 nan 8.230 nan 0.000 0.570 547 N N 5.813 124.257 118.700 -0.428 0.000 2.968 547 N HA 0.259 4.999 4.740 -0.000 0.000 0.271 547 N C -0.538 174.827 175.510 -0.240 0.000 1.174 547 N CA -0.026 52.855 53.050 -0.282 0.000 1.096 547 N CB -0.314 38.091 38.487 -0.136 0.000 1.403 547 N HN 0.510 nan 8.380 nan 0.000 0.522 548 F N 0.561 120.490 119.950 -0.035 0.000 2.579 548 F HA -0.116 4.411 4.527 -0.000 0.000 0.397 548 F C 1.813 177.594 175.800 -0.032 0.000 1.027 548 F CA -0.194 57.777 58.000 -0.049 0.000 1.217 548 F CB -0.243 38.691 39.000 -0.109 0.000 0.986 548 F HN 0.197 nan 8.300 nan 0.000 0.551 549 S N 3.051 118.853 115.700 0.170 0.000 2.661 549 S HA 0.311 4.781 4.470 -0.000 0.000 0.265 549 S C 1.056 175.708 174.600 0.086 0.000 1.225 549 S CA -0.795 57.465 58.200 0.100 0.000 0.986 549 S CB 1.050 64.304 63.200 0.090 0.000 1.008 549 S HN 0.648 nan 8.310 nan 0.000 0.565 550 K N 0.518 120.948 120.400 0.050 0.000 2.211 550 K HA -0.034 4.286 4.320 -0.000 0.000 0.203 550 K C 1.830 178.441 176.600 0.018 0.000 1.050 550 K CA 1.060 57.360 56.287 0.022 0.000 0.945 550 K CB -0.328 32.179 32.500 0.013 0.000 0.732 550 K HN 0.470 nan 8.250 nan 0.000 0.451 551 N N 1.437 120.165 118.700 0.046 0.000 2.106 551 N HA -0.135 4.605 4.740 -0.000 0.000 0.188 551 N C 1.267 176.809 175.510 0.052 0.000 1.029 551 N CA 1.194 54.266 53.050 0.036 0.000 0.848 551 N CB -0.197 38.327 38.487 0.062 0.000 1.007 551 N HN 0.195 nan 8.380 nan 0.000 0.423 552 D N 0.914 121.405 120.400 0.151 0.000 2.116 552 D HA -0.106 4.534 4.640 -0.000 0.000 0.193 552 D C 2.063 178.320 176.300 -0.071 0.000 0.998 552 D CA 0.810 54.929 54.000 0.198 0.000 0.836 552 D CB -0.238 40.737 40.800 0.291 0.000 0.951 552 D HN 0.046 nan 8.370 nan 0.000 0.449 553 V N 1.539 121.384 119.914 -0.114 0.000 2.515 553 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 553 V C 2.311 178.304 176.094 -0.167 0.000 1.058 553 V CA 0.992 63.165 62.300 -0.212 0.000 1.064 553 V CB -0.356 31.368 31.823 -0.165 0.000 0.675 553 V HN 0.231 nan 8.190 nan 0.000 0.461 554 M N -0.150 119.396 119.600 -0.090 0.000 2.064 554 M HA -0.115 4.365 4.480 -0.000 0.000 0.260 554 M C 2.217 178.483 176.300 -0.057 0.000 1.073 554 M CA 2.000 57.258 55.300 -0.071 0.000 1.124 554 M CB -0.746 31.830 32.600 -0.040 0.000 1.326 554 M HN 0.304 nan 8.290 nan 0.000 0.410 555 L N 0.021 121.229 121.223 -0.024 0.000 2.127 555 L HA -0.179 4.160 4.340 -0.000 0.000 0.211 555 L C 2.417 179.340 176.870 0.089 0.000 1.089 555 L CA 2.009 56.864 54.840 0.025 0.000 0.757 555 L CB -0.705 41.338 42.059 -0.026 0.000 0.899 555 L HN 0.474 nan 8.230 nan 0.000 0.434 556 S N -0.415 115.295 115.700 0.017 0.000 2.382 556 S HA -0.146 4.324 4.470 -0.000 0.000 0.228 556 S C 2.103 176.606 174.600 -0.161 0.000 1.027 556 S CA 1.265 59.404 58.200 -0.101 0.000 0.991 556 S CB -0.046 62.928 63.200 -0.377 0.000 0.823 556 S HN 0.604 nan 8.310 nan 0.000 0.469 557 A N 0.848 123.545 122.820 -0.204 0.000 1.898 557 A HA 0.041 4.361 4.320 -0.000 0.000 0.216 557 A C 2.310 179.893 177.584 -0.002 0.000 1.181 557 A CA 1.621 53.517 52.037 -0.235 0.000 0.620 557 A CB -1.010 17.836 19.000 -0.255 0.000 0.819 557 A HN 0.463 nan 8.150 nan 0.000 0.442 558 V N -0.257 119.660 119.914 0.005 0.000 2.332 558 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 558 V C 2.518 178.680 176.094 0.113 0.000 1.055 558 V CA 2.082 64.394 62.300 0.021 0.000 1.038 558 V CB -1.060 30.807 31.823 0.074 0.000 0.651 558 V HN 0.354 nan 8.190 nan 0.000 0.450 559 V N -0.523 119.491 119.914 0.167 0.000 2.270 559 V HA -0.294 3.826 4.120 -0.000 0.000 0.245 559 V C 2.454 178.661 176.094 0.189 0.000 1.043 559 V CA 2.404 64.820 62.300 0.194 0.000 1.014 559 V CB -0.556 31.201 31.823 -0.111 0.000 0.645 559 V HN 0.427 nan 8.190 nan 0.000 0.447 560 M N -0.301 119.340 119.600 0.069 0.000 2.106 560 M HA -0.204 4.276 4.480 -0.000 0.000 0.259 560 M C 2.223 178.685 176.300 0.270 0.000 1.068 560 M CA 2.197 57.590 55.300 0.155 0.000 1.100 560 M CB -1.018 31.700 32.600 0.197 0.000 1.351 560 M HN 0.392 nan 8.290 nan 0.000 0.404 561 T N -0.325 114.373 114.554 0.240 0.000 2.833 561 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 561 T C 1.430 176.201 174.700 0.118 0.000 1.054 561 T CA 1.233 63.392 62.100 0.098 0.000 1.135 561 T CB -0.303 68.556 68.868 -0.014 0.000 0.869 561 T HN 0.269 nan 8.240 nan 0.000 0.466 562 Y N -0.145 120.335 120.300 0.300 0.000 2.114 562 Y HA 0.029 4.578 4.550 -0.000 0.000 0.284 562 Y C 2.441 178.503 175.900 0.271 0.000 1.119 562 Y CA 0.093 58.388 58.100 0.324 0.000 1.108 562 Y CB -0.776 38.029 38.460 0.575 0.000 0.995 562 Y HN 0.226 nan 8.280 nan 0.000 0.491 563 W N 0.823 122.237 121.300 0.190 0.000 2.290 563 W HA -0.339 4.321 4.660 -0.000 0.000 0.318 563 W C 2.570 179.112 176.519 0.038 0.000 1.248 563 W CA 2.556 59.929 57.345 0.046 0.000 1.263 563 W CB -0.872 28.574 29.460 -0.023 0.000 1.147 563 W HN 0.289 nan 8.180 nan 0.000 0.494 564 T N -1.919 112.784 114.554 0.249 0.000 2.770 564 T HA -0.178 4.171 4.350 -0.000 0.000 0.263 564 T C 1.462 176.189 174.700 0.044 0.000 1.039 564 T CA 1.502 63.657 62.100 0.091 0.000 1.142 564 T CB -0.790 68.103 68.868 0.042 0.000 0.868 564 T HN -0.088 nan 8.240 nan 0.000 0.435 565 N N 1.088 119.827 118.700 0.065 0.000 2.094 565 N HA -0.051 4.689 4.740 -0.000 0.000 0.191 565 N C 1.340 176.845 175.510 -0.008 0.000 1.023 565 N CA 1.268 54.331 53.050 0.022 0.000 0.857 565 N CB -0.837 37.681 38.487 0.052 0.000 1.013 565 N HN 0.468 nan 8.380 nan 0.000 0.426 566 F N 1.413 121.273 119.950 -0.150 0.000 2.069 566 F HA -0.160 4.367 4.527 -0.000 0.000 0.298 566 F C 2.170 177.861 175.800 -0.181 0.000 1.113 566 F CA 1.658 59.502 58.000 -0.259 0.000 1.214 566 F CB -0.764 37.985 39.000 -0.419 0.000 0.978 566 F HN 0.064 nan 8.300 nan 0.000 0.474 567 A N -0.163 122.562 122.820 -0.158 0.000 2.024 567 A HA -0.211 4.109 4.320 -0.000 0.000 0.220 567 A C 2.222 179.688 177.584 -0.196 0.000 1.164 567 A CA 1.928 53.841 52.037 -0.207 0.000 0.643 567 A CB -0.657 18.285 19.000 -0.098 0.000 0.806 567 A HN 0.523 nan 8.150 nan 0.000 0.451 568 K N -1.340 118.972 120.400 -0.147 0.000 2.021 568 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 568 K C 2.110 178.626 176.600 -0.139 0.000 1.047 568 K CA 1.773 57.992 56.287 -0.113 0.000 0.943 568 K CB -0.146 32.309 32.500 -0.074 0.000 0.725 568 K HN 0.655 nan 8.250 nan 0.000 0.439 569 T N -4.287 110.166 114.554 -0.167 0.000 2.959 569 T HA 0.228 4.577 4.350 -0.000 0.000 0.254 569 T C 1.138 175.704 174.700 -0.222 0.000 1.003 569 T CA 0.461 62.469 62.100 -0.153 0.000 0.950 569 T CB 1.069 69.885 68.868 -0.087 0.000 1.090 569 T HN 0.313 nan 8.240 nan 0.000 0.503 570 G N 1.256 109.804 108.800 -0.419 0.000 2.130 570 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.216 570 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.216 570 G C -0.445 174.335 174.900 -0.199 0.000 0.999 570 G CA 0.059 44.827 45.100 -0.553 0.000 0.686 570 G HN 0.844 nan 8.290 nan 0.000 0.515 571 D N -0.673 119.628 120.400 -0.165 0.000 2.764 571 D HA 0.399 5.039 4.640 -0.000 0.000 0.227 571 D C -1.361 174.844 176.300 -0.159 0.000 1.347 571 D CA -1.364 52.551 54.000 -0.141 0.000 0.953 571 D CB 2.006 42.815 40.800 0.013 0.000 1.476 571 D HN -0.026 nan 8.370 nan 0.000 0.585 572 P HA -0.058 nan 4.420 nan 0.000 0.231 572 P C 0.175 177.601 177.300 0.210 0.000 1.158 572 P CA 0.762 63.800 63.100 -0.103 0.000 0.763 572 P CB 0.359 31.731 31.700 -0.546 0.000 0.805 573 N N -1.665 117.104 118.700 0.115 0.000 2.322 573 N HA 0.028 4.768 4.740 -0.000 0.000 0.181 573 N C 0.461 176.022 175.510 0.085 0.000 1.088 573 N CA -0.002 53.150 53.050 0.170 0.000 0.885 573 N CB 0.175 38.783 38.487 0.200 0.000 1.013 573 N HN 0.073 nan 8.380 nan 0.000 0.472 574 Q N 0.211 120.037 119.800 0.044 0.000 2.309 574 Q HA 0.275 4.615 4.340 -0.000 0.000 0.264 574 Q C -1.937 174.060 176.000 -0.006 0.000 1.008 574 Q CA -1.896 53.918 55.803 0.018 0.000 0.853 574 Q CB 2.238 30.984 28.738 0.013 0.000 1.314 574 Q HN 0.057 nan 8.270 nan 0.000 0.448 575 P HA -0.001 nan 4.420 nan 0.000 0.221 575 P C 0.666 177.959 177.300 -0.012 0.000 1.152 575 P CA 0.266 63.359 63.100 -0.011 0.000 0.851 575 P CB 0.640 32.327 31.700 -0.021 0.000 0.833 593 V N -0.551 119.431 119.914 0.113 0.000 2.525 593 V HA 0.962 5.082 4.120 -0.000 0.000 0.299 593 V C -0.355 175.871 176.094 0.220 0.000 1.034 593 V CA -0.954 61.431 62.300 0.143 0.000 0.863 593 V CB 1.671 33.578 31.823 0.140 0.000 0.999 593 V HN 0.228 nan 8.190 nan 0.000 0.423 594 A N 5.021 127.964 122.820 0.204 0.000 2.260 594 A HA 0.570 4.890 4.320 -0.000 0.000 0.314 594 A C -0.520 177.268 177.584 0.340 0.000 1.257 594 A CA -0.466 51.732 52.037 0.268 0.000 0.871 594 A CB 0.627 19.747 19.000 0.200 0.000 1.166 594 A HN 1.128 nan 8.150 nan 0.000 0.522 595 W N 5.431 126.848 121.300 0.196 0.000 2.429 595 W HA 0.219 4.879 4.660 -0.000 0.000 0.431 595 W C -0.286 176.399 176.519 0.275 0.000 1.038 595 W CA -0.235 57.211 57.345 0.169 0.000 1.635 595 W CB -0.678 28.810 29.460 0.046 0.000 1.721 595 W HN 0.685 nan 8.180 nan 0.000 0.366 596 T N 5.564 120.418 114.554 0.501 0.000 2.791 596 T HA 0.113 4.463 4.350 -0.000 0.000 0.323 596 T C 0.835 175.713 174.700 0.297 0.000 1.082 596 T CA -0.212 62.084 62.100 0.326 0.000 1.084 596 T CB 0.807 69.782 68.868 0.178 0.000 0.992 596 T HN 0.123 nan 8.240 nan 0.000 0.547 597 R N 0.449 120.972 120.500 0.038 0.000 2.539 597 R HA 0.164 4.504 4.340 -0.000 0.000 0.275 597 R C -0.587 175.689 176.300 -0.040 0.000 1.077 597 R CA -0.376 55.576 56.100 -0.246 0.000 1.097 597 R CB 0.400 30.514 30.300 -0.309 0.000 1.018 597 R HN 0.620 nan 8.270 nan 0.000 0.483 598 Y N 1.590 121.813 120.300 -0.128 0.000 2.336 598 Y HA 0.102 4.652 4.550 -0.000 0.000 0.335 598 Y C -0.226 175.671 175.900 -0.006 0.000 1.046 598 Y CA -0.107 58.004 58.100 0.019 0.000 1.198 598 Y CB 0.719 39.258 38.460 0.132 0.000 1.182 598 Y HN 0.582 nan 8.280 nan 0.000 0.502 599 S N 3.724 119.308 115.700 -0.194 0.000 2.570 599 S HA 0.234 4.704 4.470 -0.000 0.000 0.286 599 S C 0.434 174.928 174.600 -0.176 0.000 1.099 599 S CA -0.903 57.269 58.200 -0.046 0.000 0.913 599 S CB 1.927 65.089 63.200 -0.065 0.000 1.085 599 S HN 0.847 nan 8.310 nan 0.000 0.480 600 Q N 1.134 120.954 119.800 0.034 0.000 2.170 600 Q HA -0.105 4.235 4.340 -0.000 0.000 0.203 600 Q C 1.873 177.866 176.000 -0.012 0.000 0.976 600 Q CA 1.598 57.435 55.803 0.057 0.000 0.858 600 Q CB -0.139 28.658 28.738 0.097 0.000 0.907 600 Q HN 0.809 nan 8.270 nan 0.000 0.433 601 K N -0.667 119.715 120.400 -0.030 0.000 2.217 601 K HA -0.124 4.195 4.320 -0.000 0.000 0.202 601 K C 0.457 177.047 176.600 -0.017 0.000 1.051 601 K CA 1.580 57.865 56.287 -0.004 0.000 0.952 601 K CB 0.363 32.859 32.500 -0.006 0.000 0.736 601 K HN 0.232 nan 8.250 nan 0.000 0.453 602 D N -0.241 120.060 120.400 -0.165 0.000 2.480 602 D HA -0.009 4.631 4.640 -0.000 0.000 0.243 602 D C -0.449 175.484 176.300 -0.611 0.000 1.120 602 D CA 0.059 53.879 54.000 -0.300 0.000 0.835 602 D CB 0.588 41.270 40.800 -0.197 0.000 1.204 602 D HN 0.135 nan 8.370 nan 0.000 0.513 603 Q N 1.110 120.510 119.800 -0.666 0.000 2.423 603 Q HA -0.179 4.161 4.340 -0.000 0.000 0.332 603 Q C -0.371 175.315 176.000 -0.524 0.000 1.355 603 Q CA 0.315 55.517 55.803 -1.002 0.000 0.947 603 Q CB -1.554 26.867 28.738 -0.529 0.000 1.189 603 Q HN 0.400 nan 8.270 nan 0.000 0.418 604 L N 1.861 122.871 121.223 -0.355 0.000 2.360 604 L HA 0.305 4.645 4.340 -0.000 0.000 0.276 604 L C 0.238 177.265 176.870 0.261 0.000 1.121 604 L CA -0.338 54.478 54.840 -0.041 0.000 0.845 604 L CB -0.079 41.965 42.059 -0.026 0.000 1.143 604 L HN 0.237 nan 8.230 nan 0.000 0.452 605 Y N 2.400 122.804 120.300 0.173 0.000 2.536 605 Y HA 0.646 5.196 4.550 -0.000 0.000 0.347 605 Y C -0.992 174.973 175.900 0.109 0.000 1.000 605 Y CA -1.940 56.348 58.100 0.314 0.000 1.051 605 Y CB 1.295 39.974 38.460 0.366 0.000 1.259 605 Y HN 0.336 nan 8.280 nan 0.000 0.468 606 L N 4.368 125.517 121.223 -0.124 0.000 2.260 606 L HA 0.285 4.625 4.340 -0.000 0.000 0.289 606 L C -0.289 176.484 176.870 -0.162 0.000 1.057 606 L CA -0.178 54.365 54.840 -0.496 0.000 0.811 606 L CB 0.040 41.248 42.059 -1.418 0.000 1.184 606 L HN 0.874 nan 8.230 nan 0.000 0.429 607 H N 7.048 125.994 119.070 -0.205 0.000 3.118 607 H HA 0.194 4.750 4.556 -0.000 0.000 0.266 607 H C -0.439 174.896 175.328 0.010 0.000 1.465 607 H CA -0.183 55.882 56.048 0.028 0.000 1.460 607 H CB 0.019 29.753 29.762 -0.047 0.000 1.661 607 H HN 0.594 nan 8.280 nan 0.000 0.516 608 I N 5.195 125.771 120.570 0.010 0.000 2.421 608 I HA 0.167 4.337 4.170 -0.000 0.000 0.291 608 I C 1.091 177.159 176.117 -0.081 0.000 1.089 608 I CA 0.451 61.770 61.300 0.031 0.000 1.354 608 I CB 0.786 38.903 38.000 0.195 0.000 1.413 608 I HN 0.630 nan 8.210 nan 0.000 0.513 609 G N 4.811 113.595 108.800 -0.026 0.000 2.694 609 G HA2 0.325 4.285 3.960 -0.000 0.000 0.246 609 G HA3 0.325 4.285 3.960 -0.000 0.000 0.246 609 G C 0.072 174.914 174.900 -0.096 0.000 1.205 609 G CA -0.588 44.470 45.100 -0.070 0.000 0.891 609 G HN 0.400 nan 8.290 nan 0.000 0.515 610 L N -0.426 120.762 121.223 -0.059 0.000 2.492 610 L HA 0.228 4.568 4.340 -0.000 0.000 0.223 610 L C 0.606 177.467 176.870 -0.016 0.000 1.132 610 L CA 0.841 55.633 54.840 -0.081 0.000 0.850 610 L CB 0.027 42.065 42.059 -0.036 0.000 0.966 610 L HN 0.205 nan 8.230 nan 0.000 0.454 611 K N -0.403 120.008 120.400 0.018 0.000 3.163 611 K HA 0.262 4.581 4.320 -0.000 0.000 0.186 611 K C -2.469 174.150 176.600 0.032 0.000 1.111 611 K CA -1.615 54.680 56.287 0.014 0.000 0.918 611 K CB -0.012 32.482 32.500 -0.010 0.000 1.059 611 K HN -0.160 nan 8.250 nan 0.000 0.558 612 P HA -0.107 nan 4.420 nan 0.000 0.263 612 P C -0.549 176.764 177.300 0.022 0.000 1.168 612 P CA 0.438 63.574 63.100 0.059 0.000 0.759 612 P CB 0.470 32.227 31.700 0.094 0.000 0.782 613 R N 0.180 120.672 120.500 -0.014 0.000 2.725 613 R HA 0.387 4.727 4.340 -0.000 0.000 0.254 613 R C -1.839 174.386 176.300 -0.125 0.000 1.076 613 R CA -0.964 55.102 56.100 -0.056 0.000 0.940 613 R CB 0.241 30.498 30.300 -0.070 0.000 1.260 613 R HN 0.058 nan 8.270 nan 0.000 0.466 614 V N 3.306 123.144 119.914 -0.127 0.000 2.508 614 V HA 0.280 4.400 4.120 -0.000 0.000 0.281 614 V C 0.258 176.199 176.094 -0.254 0.000 1.041 614 V CA 0.039 62.220 62.300 -0.199 0.000 1.016 614 V CB 0.786 32.559 31.823 -0.083 0.000 0.984 614 V HN 0.680 nan 8.190 nan 0.000 0.478 615 K N 3.476 123.576 120.400 -0.500 0.000 2.346 615 K HA 0.674 4.994 4.320 -0.000 0.000 0.238 615 K C -0.472 175.948 176.600 -0.300 0.000 1.039 615 K CA -0.897 55.153 56.287 -0.395 0.000 0.861 615 K CB 2.303 34.561 32.500 -0.404 0.000 1.278 615 K HN 0.884 nan 8.250 nan 0.000 0.460 616 E N 0.168 120.381 120.200 0.020 0.000 2.299 616 E HA 0.282 4.632 4.350 -0.000 0.000 0.265 616 E C -1.027 175.738 176.600 0.275 0.000 0.911 616 E CA -0.820 55.606 56.400 0.043 0.000 0.789 616 E CB 1.139 30.745 29.700 -0.156 0.000 1.246 616 E HN 0.542 nan 8.360 nan 0.000 0.427 617 H N 0.301 119.507 119.070 0.226 0.000 2.631 617 H HA -0.239 4.317 4.556 -0.000 0.000 0.322 617 H C -1.014 174.390 175.328 0.126 0.000 1.035 617 H CA 0.682 56.803 56.048 0.122 0.000 1.070 617 H CB -1.862 27.936 29.762 0.061 0.000 1.622 617 H HN 0.535 nan 8.280 nan 0.000 0.373 618 Y N 2.981 123.216 120.300 -0.110 0.000 2.717 618 Y HA -0.041 4.509 4.550 -0.000 0.000 0.330 618 Y C 1.345 177.194 175.900 -0.084 0.000 1.217 618 Y CA 0.374 58.245 58.100 -0.382 0.000 1.506 618 Y CB 0.387 38.297 38.460 -0.916 0.000 1.268 618 Y HN 0.531 nan 8.280 nan 0.000 0.561 619 R N 3.183 123.324 120.500 -0.598 0.000 3.424 619 R HA -0.333 4.007 4.340 -0.000 0.000 0.247 619 R C 1.465 177.678 176.300 -0.146 0.000 1.000 619 R CA 0.389 56.250 56.100 -0.398 0.000 0.672 619 R CB -1.706 28.276 30.300 -0.531 0.000 1.042 619 R HN 0.827 nan 8.270 nan 0.000 0.470 620 A N 0.668 123.453 122.820 -0.058 0.000 1.954 620 A HA -0.376 3.944 4.320 -0.000 0.000 0.222 620 A C 1.857 179.418 177.584 -0.039 0.000 1.199 620 A CA 2.263 54.290 52.037 -0.016 0.000 0.657 620 A CB -0.433 18.552 19.000 -0.025 0.000 0.823 620 A HN 0.586 nan 8.150 nan 0.000 0.463 621 N N -0.630 118.034 118.700 -0.061 0.000 2.022 621 N HA -0.135 4.604 4.740 -0.000 0.000 0.194 621 N C 1.758 177.220 175.510 -0.079 0.000 1.057 621 N CA 1.799 54.804 53.050 -0.075 0.000 0.849 621 N CB -0.149 38.282 38.487 -0.094 0.000 1.044 621 N HN 0.331 nan 8.380 nan 0.000 0.424 622 K N 0.327 120.682 120.400 -0.076 0.000 2.057 622 K HA -0.039 4.281 4.320 -0.000 0.000 0.207 622 K C 2.067 178.736 176.600 0.115 0.000 1.049 622 K CA 0.681 56.946 56.287 -0.037 0.000 0.931 622 K CB -0.945 31.615 32.500 0.100 0.000 0.714 622 K HN 0.119 nan 8.250 nan 0.000 0.440 623 V N 2.627 122.623 119.914 0.137 0.000 2.380 623 V HA -0.258 3.862 4.120 -0.000 0.000 0.251 623 V C 2.254 178.436 176.094 0.146 0.000 1.063 623 V CA 1.759 64.167 62.300 0.180 0.000 1.055 623 V CB -0.530 31.353 31.823 0.100 0.000 0.657 623 V HN 0.404 nan 8.190 nan 0.000 0.455 624 N N -0.205 118.531 118.700 0.059 0.000 2.300 624 N HA -0.076 4.664 4.740 -0.000 0.000 0.179 624 N C 1.830 177.347 175.510 0.012 0.000 1.016 624 N CA 1.142 54.215 53.050 0.038 0.000 0.876 624 N CB 0.065 38.550 38.487 -0.003 0.000 0.979 624 N HN 0.471 nan 8.380 nan 0.000 0.432 625 L N 0.074 121.244 121.223 -0.089 0.000 2.042 625 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 625 L C 1.724 178.485 176.870 -0.183 0.000 1.076 625 L CA 1.696 56.393 54.840 -0.238 0.000 0.749 625 L CB -0.713 41.035 42.059 -0.518 0.000 0.893 625 L HN 0.197 nan 8.230 nan 0.000 0.432 626 W N -0.941 120.410 121.300 0.086 0.000 2.494 626 W HA 0.070 4.730 4.660 -0.000 0.000 0.286 626 W C 2.163 178.702 176.519 0.032 0.000 1.218 626 W CA 0.286 57.677 57.345 0.077 0.000 1.313 626 W CB -0.049 29.438 29.460 0.045 0.000 1.105 626 W HN 0.049 nan 8.180 nan 0.000 0.561 627 L N -0.483 120.890 121.223 0.250 0.000 2.477 627 L HA 0.086 4.426 4.340 -0.000 0.000 0.220 627 L C 2.146 179.089 176.870 0.122 0.000 1.106 627 L CA 0.559 55.485 54.840 0.143 0.000 0.851 627 L CB -0.258 41.865 42.059 0.107 0.000 0.994 627 L HN -0.114 nan 8.230 nan 0.000 0.462 628 E N -0.219 120.062 120.200 0.135 0.000 2.307 628 E HA 0.043 4.393 4.350 -0.000 0.000 0.192 628 E C 1.767 178.526 176.600 0.265 0.000 0.967 628 E CA 0.300 56.806 56.400 0.177 0.000 1.042 628 E CB -0.249 29.527 29.700 0.127 0.000 1.126 628 E HN 0.098 nan 8.360 nan 0.000 0.484 629 L N 1.359 122.661 121.223 0.132 0.000 1.988 629 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 629 L C 2.331 179.264 176.870 0.105 0.000 1.071 629 L CA 1.398 56.295 54.840 0.095 0.000 0.744 629 L CB -0.735 41.312 42.059 -0.021 0.000 0.893 629 L HN -0.063 nan 8.230 nan 0.000 0.433 630 V N 0.527 120.473 119.914 0.052 0.000 2.313 630 V HA -0.281 3.839 4.120 -0.000 0.000 0.253 630 V C -0.116 176.054 176.094 0.128 0.000 1.070 630 V CA 2.549 64.891 62.300 0.069 0.000 1.057 630 V CB -1.913 29.997 31.823 0.145 0.000 0.653 630 V HN 0.397 nan 8.190 nan 0.000 0.450 631 P HA -0.099 nan 4.420 nan 0.000 0.214 631 P C 1.454 178.790 177.300 0.059 0.000 1.162 631 P CA 1.458 64.603 63.100 0.075 0.000 0.874 631 P CB -0.135 31.566 31.700 0.002 0.000 0.784 632 H N -1.182 117.925 119.070 0.061 0.000 2.394 632 H HA -0.127 4.429 4.556 -0.000 0.000 0.297 632 H C 1.851 177.208 175.328 0.049 0.000 1.113 632 H CA 1.249 57.324 56.048 0.045 0.000 1.277 632 H CB -0.799 28.976 29.762 0.022 0.000 1.370 632 H HN 0.055 nan 8.280 nan 0.000 0.506 633 L N -0.981 120.346 121.223 0.172 0.000 2.049 633 L HA -0.137 4.203 4.340 -0.000 0.000 0.203 633 L C 2.283 179.222 176.870 0.114 0.000 1.074 633 L CA 0.997 55.901 54.840 0.108 0.000 0.749 633 L CB -0.471 41.627 42.059 0.065 0.000 0.907 633 L HN 0.429 nan 8.230 nan 0.000 0.439 634 H N 0.444 119.537 119.070 0.038 0.000 2.570 634 H HA -0.094 4.462 4.556 -0.000 0.000 0.280 634 H C 0.517 175.871 175.328 0.043 0.000 1.038 634 H CA 0.618 56.695 56.048 0.049 0.000 1.186 634 H CB -0.133 29.683 29.762 0.091 0.000 1.339 634 H HN 0.249 nan 8.280 nan 0.000 0.615 635 N N -0.005 118.792 118.700 0.161 0.000 2.380 635 N HA 0.235 4.975 4.740 -0.000 0.000 0.255 635 N C -1.011 174.538 175.510 0.066 0.000 1.158 635 N CA -0.141 52.972 53.050 0.105 0.000 0.878 635 N CB 0.337 38.862 38.487 0.063 0.000 1.138 635 N HN 0.177 nan 8.380 nan 0.000 0.509 636 L N 0.000 121.248 121.223 0.042 0.000 2.949 636 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 636 L CA 0.000 54.852 54.840 0.020 0.000 0.813 636 L CB 0.000 42.073 42.059 0.023 0.000 0.961 636 L HN 0.000 nan 8.230 nan 0.000 0.502