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 2wde_1_A DATA FIRST_RESID 29 DATA SEQUENCE RSLYDLPPYG DATLLYFSDL HGQAFPHYFM EPPNLIAPKP LMGRPGYLTG DATA SEQUENCE EAILRYYGVE RGTPLAYLLS YVDFVELART FGPIGGMGAL TALIRDQKAR DATA SEQUENCE VEAEGGKALV LDGGDTWTNS GLSLLTRGEA VVRWQNLVGV DHMVSHWEWT DATA SEQUENCE LGRERVEELL GLFRGEFLSY NIVDDLFGDP LFPAYRIHRV GPYALAVVGA DATA SEQUENCE SYPYVKVSHP ESFTEGLSFA LDERRLQEAV DKARAEGANA VVLLSHNGMQ DATA SEQUENCE LDAALAERIR GIDLILSGHT HDLTPRPWRV GKTWIVAGSA AGKALMRVDL DATA SEQUENCE KLWKGGIANL RVRVLPVLAE HLPKAEDVEA FLKAQLAPHQ DHLFTPLAVS DATA SEQUENCE ETLLYKRDTL YSTWDQLVGE AVKAIYPEVE VVFSPAVRWG TTILPGQAIT DATA SEQUENCE WDHLYAYTGF TYPELYLFYL RGAQIKAVLE DIASNVFTSD PFYQQGGDVS DATA SEQUENCE RVFGLRYVLD PDAPTGERVR EVEVGGRPLD PNRRYLAAAY GGRLQRVGEA DATA SEQUENCE KPGYEPRPIY EVLAEYLRSV GRVRVRPEPN VKVIGRNYRL PEVTG 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 29 R HA 0.000 nan 4.340 nan 0.000 0.208 29 R C 0.000 176.267 176.300 -0.056 0.000 0.893 29 R CA 0.000 56.071 56.100 -0.049 0.000 0.921 29 R CB 0.000 30.279 30.300 -0.035 0.000 0.687 30 S N 0.427 116.070 115.700 -0.096 0.000 2.532 30 S HA 0.214 4.688 4.470 0.007 0.000 0.184 30 S C -0.405 174.083 174.600 -0.187 0.000 0.639 30 S CA -0.517 57.621 58.200 -0.104 0.000 0.834 30 S CB 0.176 63.348 63.200 -0.046 0.000 1.421 30 S HN 0.109 nan 8.310 nan 0.000 0.444 31 L N 1.415 122.415 121.223 -0.371 0.000 2.056 31 L HA 0.066 4.410 4.340 0.007 0.000 0.207 31 L C 1.617 178.187 176.870 -0.500 0.000 1.078 31 L CA 2.099 56.596 54.840 -0.571 0.000 0.749 31 L CB -0.725 40.716 42.059 -1.030 0.000 0.901 31 L HN 0.750 nan 8.230 nan 0.000 0.433 32 Y N -2.461 117.830 120.300 -0.016 0.000 2.507 32 Y HA 0.198 4.751 4.550 0.005 0.000 0.263 32 Y C 0.864 176.764 175.900 0.001 0.000 1.093 32 Y CA -1.192 56.904 58.100 -0.005 0.000 1.285 32 Y CB -0.376 38.086 38.460 0.003 0.000 1.115 32 Y HN 0.013 nan 8.280 nan 0.000 0.533 33 D N 1.505 121.964 120.400 0.098 0.000 2.470 33 D HA 0.221 4.866 4.640 0.007 0.000 0.226 33 D C -0.842 175.482 176.300 0.040 0.000 1.196 33 D CA 0.343 54.384 54.000 0.069 0.000 0.979 33 D CB -0.380 40.449 40.800 0.048 0.000 1.059 33 D HN 0.123 nan 8.370 nan 0.000 0.515 34 L N 4.606 125.859 121.223 0.050 0.000 2.317 34 L HA 0.519 4.863 4.340 0.007 0.000 0.281 34 L C -1.635 175.263 176.870 0.046 0.000 1.024 34 L CA -1.863 52.999 54.840 0.037 0.000 0.810 34 L CB 1.613 43.693 42.059 0.036 0.000 1.240 34 L HN 0.268 nan 8.230 nan 0.000 0.427 35 P HA 0.271 nan 4.420 nan 0.000 0.272 35 P C -2.675 174.674 177.300 0.082 0.000 1.240 35 P CA -1.244 61.890 63.100 0.056 0.000 0.791 35 P CB -0.265 31.468 31.700 0.056 0.000 0.978 36 P HA 0.229 nan 4.420 nan 0.000 0.272 36 P C -1.225 176.170 177.300 0.158 0.000 1.230 36 P CA 0.242 63.399 63.100 0.094 0.000 0.788 36 P CB 0.208 31.940 31.700 0.055 0.000 0.949 37 Y N 0.612 120.921 120.300 0.015 0.000 2.348 37 Y HA 0.454 5.007 4.550 0.005 0.000 0.321 37 Y C 0.283 176.193 175.900 0.018 0.000 1.163 37 Y CA 0.472 58.579 58.100 0.012 0.000 1.070 37 Y CB 1.149 39.610 38.460 0.002 0.000 1.250 37 Y HN 0.894 nan 8.280 nan 0.000 0.425 38 G N 4.581 113.144 108.800 -0.394 0.000 2.750 38 G HA2 -0.253 3.711 3.960 0.007 0.000 0.228 38 G HA3 -0.253 3.711 3.960 0.007 0.000 0.228 38 G C -0.045 174.839 174.900 -0.027 0.000 1.367 38 G CA 0.201 45.184 45.100 -0.195 0.000 0.871 38 G HN 0.639 nan 8.290 nan 0.000 0.560 39 D N 0.472 120.890 120.400 0.028 0.000 2.338 39 D HA 0.417 5.061 4.640 0.007 0.000 0.208 39 D C 1.244 177.588 176.300 0.073 0.000 0.997 39 D CA 1.487 55.528 54.000 0.070 0.000 0.880 39 D CB 0.497 41.377 40.800 0.133 0.000 0.980 39 D HN 1.043 nan 8.370 nan 0.000 0.509 40 A N 0.044 122.908 122.820 0.072 0.000 2.539 40 A HA 0.630 4.955 4.320 0.007 0.000 0.296 40 A C -0.841 176.782 177.584 0.065 0.000 1.073 40 A CA -0.449 51.625 52.037 0.062 0.000 0.700 40 A CB 2.007 21.039 19.000 0.054 0.000 1.296 40 A HN -0.109 nan 8.150 nan 0.000 0.405 41 T N 2.035 116.619 114.554 0.051 0.000 2.841 41 T HA 0.558 4.912 4.350 0.007 0.000 0.285 41 T C -0.761 173.963 174.700 0.039 0.000 0.991 41 T CA -0.212 61.920 62.100 0.055 0.000 0.966 41 T CB 0.655 69.559 68.868 0.060 0.000 0.962 41 T HN 0.470 nan 8.240 nan 0.000 0.438 42 L N 4.050 125.299 121.223 0.042 0.000 2.282 42 L HA 0.564 4.908 4.340 0.007 0.000 0.288 42 L C -0.515 176.411 176.870 0.093 0.000 1.033 42 L CA -0.873 53.994 54.840 0.044 0.000 0.807 42 L CB 1.051 43.118 42.059 0.014 0.000 1.209 42 L HN 0.395 nan 8.230 nan 0.000 0.423 43 L N 4.539 125.832 121.223 0.116 0.000 2.277 43 L HA 0.402 4.747 4.340 0.007 0.000 0.284 43 L C -0.968 176.056 176.870 0.256 0.000 1.028 43 L CA -0.514 54.424 54.840 0.164 0.000 0.835 43 L CB 0.747 42.885 42.059 0.132 0.000 1.215 43 L HN 0.462 nan 8.230 nan 0.000 0.425 44 Y N 5.807 126.172 120.300 0.109 0.000 2.376 44 Y HA 0.691 5.245 4.550 0.006 0.000 0.340 44 Y C -1.020 174.982 175.900 0.169 0.000 0.965 44 Y CA -1.632 56.511 58.100 0.072 0.000 1.078 44 Y CB 1.484 39.955 38.460 0.018 0.000 1.193 44 Y HN 0.392 nan 8.280 nan 0.000 0.452 45 F N 2.183 121.896 119.950 -0.395 0.000 2.626 45 F HA 0.870 5.402 4.527 0.007 0.000 0.311 45 F C -1.062 174.425 175.800 -0.522 0.000 1.088 45 F CA -0.961 56.744 58.000 -0.492 0.000 0.949 45 F CB 1.778 40.678 39.000 -0.167 0.000 1.322 45 F HN 0.476 nan 8.300 nan 0.000 0.461 46 S N -0.151 115.367 115.700 -0.304 0.000 2.596 46 S HA 0.452 4.926 4.470 0.007 0.000 0.270 46 S C -1.554 172.989 174.600 -0.096 0.000 1.155 46 S CA -0.382 57.687 58.200 -0.220 0.000 0.827 46 S CB 1.230 64.307 63.200 -0.204 0.000 1.130 46 S HN 0.909 nan 8.310 nan 0.000 0.467 47 D N 0.865 121.231 120.400 -0.058 0.000 2.708 47 D HA -0.167 4.477 4.640 0.007 0.000 0.236 47 D C 0.599 176.831 176.300 -0.114 0.000 1.146 47 D CA 0.737 54.666 54.000 -0.118 0.000 0.662 47 D CB -0.951 39.690 40.800 -0.266 0.000 1.059 47 D HN 0.347 nan 8.370 nan 0.000 0.428 48 L N 0.314 121.505 121.223 -0.054 0.000 2.131 48 L HA -0.091 4.253 4.340 0.007 0.000 0.210 48 L C 0.902 177.730 176.870 -0.071 0.000 1.092 48 L CA 1.845 56.652 54.840 -0.054 0.000 0.759 48 L CB -0.295 41.778 42.059 0.023 0.000 0.903 48 L HN 0.467 nan 8.230 nan 0.000 0.435 49 H N -0.586 118.386 119.070 -0.163 0.000 2.692 49 H HA -0.172 4.388 4.556 0.007 0.000 0.316 49 H C 1.420 176.590 175.328 -0.263 0.000 1.176 49 H CA 0.696 56.581 56.048 -0.272 0.000 1.142 49 H CB -1.730 27.841 29.762 -0.318 0.000 1.475 49 H HN 0.627 nan 8.280 nan 0.000 0.423 50 G N 0.832 109.549 108.800 -0.138 0.000 2.244 50 G HA2 -0.362 3.602 3.960 0.007 0.000 0.274 50 G HA3 -0.362 3.602 3.960 0.007 0.000 0.274 50 G C 0.447 175.210 174.900 -0.228 0.000 1.002 50 G CA 0.650 45.656 45.100 -0.157 0.000 0.740 50 G HN 0.519 nan 8.290 nan 0.000 0.516 51 Q N -0.289 119.356 119.800 -0.258 0.000 2.388 51 Q HA 0.472 4.817 4.340 0.007 0.000 0.246 51 Q C 1.529 177.287 176.000 -0.403 0.000 1.246 51 Q CA 0.559 56.166 55.803 -0.326 0.000 0.895 51 Q CB 0.517 29.020 28.738 -0.391 0.000 1.510 51 Q HN 0.569 nan 8.270 nan 0.000 0.503 52 A N 3.023 125.569 122.820 -0.457 0.000 2.014 52 A HA 0.044 4.369 4.320 0.007 0.000 0.218 52 A C 0.290 177.314 177.584 -0.933 0.000 1.163 52 A CA 0.818 52.386 52.037 -0.781 0.000 0.652 52 A CB 0.242 18.661 19.000 -0.967 0.000 0.808 52 A HN 0.484 nan 8.150 nan 0.000 0.449 53 F N -1.147 118.717 119.950 -0.144 0.000 2.556 53 F HA 0.507 5.037 4.527 0.007 0.000 0.327 53 F C -2.431 173.351 175.800 -0.030 0.000 1.059 53 F CA -2.947 55.000 58.000 -0.089 0.000 0.953 53 F CB 0.926 39.898 39.000 -0.046 0.000 1.227 53 F HN -0.218 nan 8.300 nan 0.000 0.478 54 P HA 0.116 nan 4.420 nan 0.000 0.265 54 P C -1.167 176.211 177.300 0.131 0.000 1.193 54 P CA 0.577 63.726 63.100 0.082 0.000 0.765 54 P CB 0.128 31.833 31.700 0.009 0.000 0.823 55 H N -0.140 118.837 119.070 -0.155 0.000 2.950 55 H HA 0.608 5.168 4.556 0.007 0.000 0.272 55 H C -1.462 173.672 175.328 -0.323 0.000 1.495 55 H CA -0.940 55.017 56.048 -0.152 0.000 1.183 55 H CB 0.528 30.338 29.762 0.080 0.000 1.867 55 H HN 0.200 nan 8.280 nan 0.000 0.597 56 Y N -0.208 120.128 120.300 0.060 0.000 2.429 56 Y HA 0.519 5.073 4.550 0.007 0.000 0.342 56 Y C -1.314 174.656 175.900 0.118 0.000 1.004 56 Y CA -1.017 57.168 58.100 0.142 0.000 1.075 56 Y CB 2.156 40.828 38.460 0.354 0.000 1.214 56 Y HN 0.580 nan 8.280 nan 0.000 0.455 57 F N 4.685 124.706 119.950 0.118 0.000 3.034 57 F HA 0.415 4.946 4.527 0.007 0.000 0.371 57 F C -0.988 174.769 175.800 -0.072 0.000 1.233 57 F CA -0.808 57.182 58.000 -0.018 0.000 1.134 57 F CB 0.850 39.779 39.000 -0.117 0.000 1.495 57 F HN 0.513 nan 8.300 nan 0.000 0.563 58 M N 4.737 123.991 119.600 -0.577 0.000 2.211 58 M HA 0.301 4.786 4.480 0.007 0.000 0.356 58 M C -0.012 176.013 176.300 -0.459 0.000 1.216 58 M CA -0.274 54.543 55.300 -0.804 0.000 1.134 58 M CB 0.648 32.384 32.600 -1.441 0.000 1.564 58 M HN 0.426 nan 8.290 nan 0.000 0.463 59 E N 5.485 125.579 120.200 -0.177 0.000 2.404 59 E HA 0.242 4.596 4.350 0.007 0.000 0.261 59 E C -2.327 174.216 176.600 -0.094 0.000 1.074 59 E CA -1.529 54.845 56.400 -0.044 0.000 0.917 59 E CB -0.125 29.612 29.700 0.060 0.000 0.965 59 E HN 0.464 nan 8.360 nan 0.000 0.433 60 P HA 0.043 nan 4.420 nan 0.000 0.268 60 P C -2.220 175.000 177.300 -0.132 0.000 1.205 60 P CA -1.128 61.923 63.100 -0.083 0.000 0.771 60 P CB 0.217 31.911 31.700 -0.010 0.000 0.858 61 P HA 0.006 nan 4.420 nan 0.000 0.225 61 P C -0.010 177.059 177.300 -0.385 0.000 1.156 61 P CA 1.309 63.955 63.100 -0.757 0.000 0.787 61 P CB 0.323 31.428 31.700 -0.992 0.000 0.802 62 N N -0.369 118.214 118.700 -0.195 0.000 2.264 62 N HA 0.341 5.085 4.740 0.007 0.000 0.288 62 N C -1.131 174.414 175.510 0.058 0.000 1.094 62 N CA -0.470 52.535 53.050 -0.075 0.000 0.817 62 N CB 2.321 40.739 38.487 -0.115 0.000 1.604 62 N HN -0.130 nan 8.380 nan 0.000 0.473 63 L N 2.801 124.094 121.223 0.117 0.000 2.480 63 L HA 0.469 4.813 4.340 0.007 0.000 0.253 63 L C -0.451 176.604 176.870 0.308 0.000 1.324 63 L CA -0.398 54.556 54.840 0.191 0.000 0.916 63 L CB 0.828 42.966 42.059 0.131 0.000 1.160 63 L HN 0.428 nan 8.230 nan 0.000 0.503 64 I N 2.031 122.799 120.570 0.331 0.000 2.556 64 I HA 0.302 4.476 4.170 0.007 0.000 0.284 64 I C 0.735 177.103 176.117 0.419 0.000 1.114 64 I CA 0.493 61.990 61.300 0.328 0.000 1.418 64 I CB 1.042 39.221 38.000 0.298 0.000 1.394 64 I HN 0.511 nan 8.210 nan 0.000 0.552 65 A N 8.609 131.534 122.820 0.175 0.000 2.413 65 A HA 0.842 5.166 4.320 0.007 0.000 0.307 65 A C -2.620 174.950 177.584 -0.023 0.000 1.087 65 A CA -1.701 50.321 52.037 -0.024 0.000 0.750 65 A CB 1.245 19.848 19.000 -0.661 0.000 1.296 65 A HN 0.432 nan 8.150 nan 0.000 0.423 66 P HA 0.129 nan 4.420 nan 0.000 0.270 66 P C 0.311 177.585 177.300 -0.043 0.000 1.223 66 P CA -0.074 63.028 63.100 0.004 0.000 0.785 66 P CB 0.724 32.466 31.700 0.069 0.000 0.923 67 K N 1.699 122.085 120.400 -0.024 0.000 2.107 67 K HA -0.177 4.147 4.320 0.007 0.000 0.211 67 K C -0.679 175.909 176.600 -0.019 0.000 1.049 67 K CA 2.343 58.617 56.287 -0.021 0.000 0.927 67 K CB -1.644 30.852 32.500 -0.006 0.000 0.714 67 K HN 0.518 nan 8.250 nan 0.000 0.452 68 P HA -0.121 nan 4.420 nan 0.000 0.220 68 P C 0.771 178.067 177.300 -0.007 0.000 1.148 68 P CA 1.152 64.260 63.100 0.012 0.000 0.803 68 P CB 0.122 31.846 31.700 0.040 0.000 0.782 69 L N -2.961 118.209 121.223 -0.088 0.000 2.616 69 L HA 0.201 4.545 4.340 0.007 0.000 0.229 69 L C 1.133 177.862 176.870 -0.236 0.000 1.110 69 L CA -0.230 54.500 54.840 -0.183 0.000 0.884 69 L CB -0.485 41.332 42.059 -0.404 0.000 1.115 69 L HN -0.042 nan 8.230 nan 0.000 0.481 70 M N 0.217 119.721 119.600 -0.159 0.000 2.250 70 M HA 0.115 4.599 4.480 0.007 0.000 0.337 70 M C 1.390 177.680 176.300 -0.016 0.000 1.161 70 M CA 1.312 56.560 55.300 -0.086 0.000 1.088 70 M CB 0.173 32.747 32.600 -0.044 0.000 1.639 70 M HN 0.274 nan 8.290 nan 0.000 0.447 71 G N 1.558 110.360 108.800 0.003 0.000 2.159 71 G HA2 -0.253 3.712 3.960 0.007 0.000 0.256 71 G HA3 -0.253 3.712 3.960 0.007 0.000 0.256 71 G C -0.004 174.858 174.900 -0.063 0.000 0.977 71 G CA 0.490 45.590 45.100 -0.000 0.000 0.652 71 G HN 0.834 nan 8.290 nan 0.000 0.531 72 R N -0.340 120.119 120.500 -0.069 0.000 2.787 72 R HA 0.686 5.030 4.340 0.007 0.000 0.271 72 R C -2.948 173.089 176.300 -0.438 0.000 0.993 72 R CA -2.137 53.827 56.100 -0.226 0.000 0.993 72 R CB 1.368 31.655 30.300 -0.021 0.000 1.155 72 R HN 0.002 nan 8.270 nan 0.000 0.486 73 P HA -0.012 nan 4.420 nan 0.000 0.261 73 P C 0.399 177.392 177.300 -0.513 0.000 1.173 73 P CA 1.735 64.365 63.100 -0.783 0.000 0.760 73 P CB 0.583 31.617 31.700 -1.109 0.000 0.783 74 G N 1.865 110.483 108.800 -0.304 0.000 2.213 74 G HA2 -0.283 3.681 3.960 0.007 0.000 0.226 74 G HA3 -0.283 3.681 3.960 0.007 0.000 0.226 74 G C 0.246 174.831 174.900 -0.525 0.000 0.992 74 G CA -0.255 44.637 45.100 -0.347 0.000 0.632 74 G HN 0.501 nan 8.290 nan 0.000 0.511 75 Y N 0.345 120.594 120.300 -0.086 0.000 2.717 75 Y HA 0.554 5.109 4.550 0.007 0.000 0.250 75 Y C 0.953 176.821 175.900 -0.053 0.000 1.149 75 Y CA -0.532 57.548 58.100 -0.033 0.000 1.211 75 Y CB 0.551 39.004 38.460 -0.012 0.000 1.289 75 Y HN 0.195 nan 8.280 nan 0.000 0.552 76 L N 1.213 122.436 121.223 -0.000 0.000 2.309 76 L HA 0.696 5.040 4.340 0.007 0.000 0.282 76 L C 0.316 177.210 176.870 0.040 0.000 1.036 76 L CA -0.404 54.426 54.840 -0.017 0.000 0.806 76 L CB 1.578 43.552 42.059 -0.142 0.000 1.220 76 L HN 0.127 nan 8.230 nan 0.000 0.429 77 T N -1.202 113.397 114.554 0.074 0.000 2.754 77 T HA 0.756 5.110 4.350 0.007 0.000 0.296 77 T C 0.379 175.159 174.700 0.134 0.000 1.205 77 T CA -0.146 62.027 62.100 0.122 0.000 1.009 77 T CB 1.398 70.352 68.868 0.143 0.000 1.368 77 T HN 0.957 nan 8.240 nan 0.000 0.509 78 G N 1.197 110.102 108.800 0.175 0.000 2.614 78 G HA2 -0.328 3.636 3.960 0.007 0.000 0.303 78 G HA3 -0.328 3.636 3.960 0.007 0.000 0.303 78 G C 0.591 175.444 174.900 -0.078 0.000 1.270 78 G CA 1.135 46.205 45.100 -0.050 0.000 0.988 78 G HN 0.995 nan 8.290 nan 0.000 0.551 79 E N 0.563 120.729 120.200 -0.056 0.000 2.106 79 E HA 0.245 4.599 4.350 0.007 0.000 0.192 79 E C 2.933 179.548 176.600 0.025 0.000 0.984 79 E CA 1.975 58.361 56.400 -0.024 0.000 0.806 79 E CB -0.528 29.163 29.700 -0.015 0.000 0.750 79 E HN 0.887 nan 8.360 nan 0.000 0.458 80 A N 1.080 123.924 122.820 0.041 0.000 1.908 80 A HA -0.211 4.113 4.320 0.007 0.000 0.218 80 A C 2.283 179.915 177.584 0.079 0.000 1.181 80 A CA 1.439 53.510 52.037 0.057 0.000 0.627 80 A CB -0.734 18.297 19.000 0.051 0.000 0.818 80 A HN 0.331 nan 8.150 nan 0.000 0.445 81 I N -0.472 120.148 120.570 0.083 0.000 2.315 81 I HA -0.219 3.955 4.170 0.007 0.000 0.248 81 I C 2.203 178.457 176.117 0.228 0.000 1.117 81 I CA 1.088 62.475 61.300 0.146 0.000 1.404 81 I CB -0.071 38.017 38.000 0.147 0.000 1.071 81 I HN 0.358 nan 8.210 nan 0.000 0.419 82 L N 0.169 121.477 121.223 0.142 0.000 2.017 82 L HA -0.215 4.129 4.340 0.007 0.000 0.208 82 L C 2.766 179.717 176.870 0.135 0.000 1.073 82 L CA 1.399 56.320 54.840 0.135 0.000 0.745 82 L CB -0.766 41.333 42.059 0.066 0.000 0.894 82 L HN 0.169 nan 8.230 nan 0.000 0.432 83 R N -0.896 119.661 120.500 0.096 0.000 2.073 83 R HA -0.219 4.125 4.340 0.007 0.000 0.234 83 R C 2.351 178.682 176.300 0.052 0.000 1.134 83 R CA 1.862 58.000 56.100 0.063 0.000 0.952 83 R CB -0.690 29.637 30.300 0.045 0.000 0.850 83 R HN 0.276 nan 8.270 nan 0.000 0.433 84 Y N 0.135 120.381 120.300 -0.090 0.000 2.151 84 Y HA -0.293 4.261 4.550 0.007 0.000 0.284 84 Y C 1.266 176.973 175.900 -0.322 0.000 1.166 84 Y CA 1.691 59.638 58.100 -0.254 0.000 1.163 84 Y CB -0.037 38.173 38.460 -0.416 0.000 0.974 84 Y HN 0.052 nan 8.280 nan 0.000 0.511 85 Y N -0.402 120.016 120.300 0.196 0.000 2.457 85 Y HA 0.288 4.842 4.550 0.007 0.000 0.263 85 Y C 1.673 177.593 175.900 0.033 0.000 1.164 85 Y CA 0.153 58.321 58.100 0.114 0.000 1.274 85 Y CB 0.176 38.724 38.460 0.146 0.000 1.097 85 Y HN 0.169 nan 8.280 nan 0.000 0.523 86 G N 0.870 109.742 108.800 0.121 0.000 2.246 86 G HA2 -0.252 3.712 3.960 0.007 0.000 0.273 86 G HA3 -0.252 3.712 3.960 0.007 0.000 0.273 86 G C -0.342 174.604 174.900 0.076 0.000 1.055 86 G CA 0.255 45.395 45.100 0.067 0.000 0.851 86 G HN 0.129 nan 8.290 nan 0.000 0.500 87 V N 0.095 120.070 119.914 0.102 0.000 2.432 87 V HA 0.383 4.508 4.120 0.007 0.000 0.275 87 V C 0.793 176.917 176.094 0.050 0.000 1.043 87 V CA -0.596 61.746 62.300 0.072 0.000 0.925 87 V CB 1.611 33.484 31.823 0.085 0.000 0.985 87 V HN 0.475 nan 8.190 nan 0.000 0.466 88 E N 3.432 123.651 120.200 0.032 0.000 2.373 88 E HA 0.200 4.554 4.350 0.007 0.000 0.267 88 E C 0.461 177.082 176.600 0.035 0.000 1.032 88 E CA -0.314 56.103 56.400 0.028 0.000 0.889 88 E CB 0.650 30.361 29.700 0.019 0.000 0.984 88 E HN 0.551 nan 8.360 nan 0.000 0.425 89 R N 2.090 122.609 120.500 0.033 0.000 2.623 89 R HA 0.091 4.435 4.340 0.007 0.000 0.271 89 R C 0.668 177.001 176.300 0.055 0.000 1.043 89 R CA 1.215 57.337 56.100 0.037 0.000 1.083 89 R CB 0.081 30.393 30.300 0.020 0.000 0.974 89 R HN 0.779 nan 8.270 nan 0.000 0.436 90 G N 2.219 111.071 108.800 0.087 0.000 2.176 90 G HA2 -0.310 3.654 3.960 0.007 0.000 0.253 90 G HA3 -0.310 3.654 3.960 0.007 0.000 0.253 90 G C 0.155 175.196 174.900 0.234 0.000 0.979 90 G CA 0.489 45.667 45.100 0.130 0.000 0.641 90 G HN 0.864 nan 8.290 nan 0.000 0.530 91 T N -2.079 112.565 114.554 0.151 0.000 2.847 91 T HA 0.632 4.986 4.350 0.007 0.000 0.279 91 T C -0.938 173.700 174.700 -0.103 0.000 0.984 91 T CA -0.909 61.227 62.100 0.060 0.000 0.988 91 T CB 2.180 71.039 68.868 -0.014 0.000 1.040 91 T HN -0.095 nan 8.240 nan 0.000 0.528 92 P HA -0.009 nan 4.420 nan 0.000 0.217 92 P C 1.650 178.810 177.300 -0.232 0.000 1.150 92 P CA 0.217 62.856 63.100 -0.768 0.000 0.832 92 P CB -0.058 31.174 31.700 -0.780 0.000 0.787 93 L N -0.077 121.049 121.223 -0.163 0.000 2.056 93 L HA -0.049 4.296 4.340 0.007 0.000 0.207 93 L C 2.206 179.066 176.870 -0.016 0.000 1.078 93 L CA 1.902 56.690 54.840 -0.086 0.000 0.749 93 L CB -1.622 40.388 42.059 -0.082 0.000 0.901 93 L HN -0.123 nan 8.230 nan 0.000 0.433 94 A N -1.324 121.513 122.820 0.029 0.000 1.933 94 A HA -0.293 4.031 4.320 0.007 0.000 0.218 94 A C 2.297 179.979 177.584 0.164 0.000 1.175 94 A CA 1.759 53.846 52.037 0.084 0.000 0.628 94 A CB -1.196 17.860 19.000 0.093 0.000 0.814 94 A HN 0.632 nan 8.150 nan 0.000 0.444 95 Y N 0.161 120.501 120.300 0.068 0.000 2.165 95 Y HA -0.160 4.394 4.550 0.006 0.000 0.286 95 Y C 1.784 177.789 175.900 0.175 0.000 1.155 95 Y CA 1.710 59.900 58.100 0.149 0.000 1.164 95 Y CB -0.544 38.029 38.460 0.190 0.000 0.978 95 Y HN 0.182 nan 8.280 nan 0.000 0.513 96 L N -0.753 120.402 121.223 -0.113 0.000 2.072 96 L HA -0.107 4.237 4.340 0.007 0.000 0.205 96 L C 2.316 179.166 176.870 -0.034 0.000 1.079 96 L CA 1.188 55.920 54.840 -0.180 0.000 0.752 96 L CB -1.079 40.898 42.059 -0.137 0.000 0.906 96 L HN 0.319 nan 8.230 nan 0.000 0.436 97 L N -2.226 118.999 121.223 0.003 0.000 2.240 97 L HA 0.079 4.423 4.340 0.007 0.000 0.211 97 L C 1.041 177.945 176.870 0.055 0.000 1.106 97 L CA 0.803 55.654 54.840 0.019 0.000 0.793 97 L CB 0.005 42.068 42.059 0.007 0.000 0.927 97 L HN 0.220 nan 8.230 nan 0.000 0.446 98 S N -3.007 112.737 115.700 0.073 0.000 2.588 98 S HA 0.257 4.731 4.470 0.007 0.000 0.275 98 S C 0.305 174.952 174.600 0.079 0.000 1.130 98 S CA -0.367 57.864 58.200 0.052 0.000 0.855 98 S CB 0.841 64.028 63.200 -0.023 0.000 1.116 98 S HN 0.276 nan 8.310 nan 0.000 0.472 99 Y N 2.116 122.428 120.300 0.021 0.000 2.516 99 Y HA 0.420 4.974 4.550 0.008 0.000 0.291 99 Y C 0.429 176.385 175.900 0.092 0.000 1.131 99 Y CA -0.153 57.943 58.100 -0.008 0.000 1.281 99 Y CB -0.747 37.615 38.460 -0.162 0.000 1.013 99 Y HN 0.239 nan 8.280 nan 0.000 0.554 100 V N 4.259 123.784 119.914 -0.649 0.000 2.617 100 V HA -0.137 3.987 4.120 0.007 0.000 0.304 100 V C 0.466 176.526 176.094 -0.055 0.000 1.040 100 V CA 0.840 62.875 62.300 -0.441 0.000 1.149 100 V CB -0.208 31.392 31.823 -0.373 0.000 0.914 100 V HN 0.613 nan 8.190 nan 0.000 0.487 101 D N 2.515 122.917 120.400 0.003 0.000 2.983 101 D HA -0.288 4.356 4.640 0.007 0.000 0.225 101 D C 0.733 177.103 176.300 0.118 0.000 1.174 101 D CA 1.291 55.322 54.000 0.051 0.000 0.831 101 D CB -1.222 39.593 40.800 0.024 0.000 1.104 101 D HN 0.605 nan 8.370 nan 0.000 0.421 102 F N 1.254 121.246 119.950 0.071 0.000 2.027 102 F HA -0.311 4.220 4.527 0.007 0.000 0.297 102 F C 2.340 178.203 175.800 0.106 0.000 1.129 102 F CA 2.269 60.355 58.000 0.143 0.000 1.195 102 F CB -0.443 38.645 39.000 0.145 0.000 0.960 102 F HN 0.027 nan 8.300 nan 0.000 0.485 103 V N 0.352 120.287 119.914 0.035 0.000 2.287 103 V HA -0.360 3.764 4.120 0.007 0.000 0.248 103 V C 2.374 178.333 176.094 -0.225 0.000 1.053 103 V CA 2.365 64.593 62.300 -0.120 0.000 1.027 103 V CB -0.837 31.002 31.823 0.027 0.000 0.646 103 V HN 0.488 nan 8.190 nan 0.000 0.447 104 E N -0.025 120.086 120.200 -0.148 0.000 2.058 104 E HA -0.218 4.136 4.350 0.007 0.000 0.194 104 E C 2.149 178.573 176.600 -0.292 0.000 0.997 104 E CA 1.519 57.813 56.400 -0.176 0.000 0.801 104 E CB -0.167 29.467 29.700 -0.111 0.000 0.746 104 E HN 0.587 nan 8.360 nan 0.000 0.450 105 L N 0.036 121.070 121.223 -0.314 0.000 2.217 105 L HA -0.034 4.310 4.340 0.007 0.000 0.211 105 L C 2.563 178.927 176.870 -0.843 0.000 1.107 105 L CA 0.677 55.228 54.840 -0.482 0.000 0.783 105 L CB -0.378 41.578 42.059 -0.171 0.000 0.919 105 L HN 0.221 nan 8.230 nan 0.000 0.442 106 A N 0.175 122.533 122.820 -0.771 0.000 1.930 106 A HA -0.139 4.185 4.320 0.007 0.000 0.217 106 A C 2.384 179.780 177.584 -0.313 0.000 1.175 106 A CA 1.026 52.711 52.037 -0.586 0.000 0.627 106 A CB -0.300 18.353 19.000 -0.577 0.000 0.815 106 A HN 0.281 nan 8.150 nan 0.000 0.443 107 R N -0.685 119.618 120.500 -0.328 0.000 2.115 107 R HA -0.052 4.292 4.340 0.007 0.000 0.226 107 R C 2.047 178.201 176.300 -0.244 0.000 1.100 107 R CA 1.661 57.630 56.100 -0.217 0.000 0.980 107 R CB -0.964 29.220 30.300 -0.194 0.000 0.875 107 R HN 0.525 nan 8.270 nan 0.000 0.445 108 T N 0.983 115.286 114.554 -0.418 0.000 2.698 108 T HA -0.049 4.306 4.350 0.007 0.000 0.260 108 T C 1.440 175.829 174.700 -0.518 0.000 1.044 108 T CA 1.317 63.072 62.100 -0.575 0.000 1.149 108 T CB -0.183 68.117 68.868 -0.947 0.000 0.864 108 T HN 0.089 nan 8.240 nan 0.000 0.419 109 F N 1.129 120.945 119.950 -0.223 0.000 2.698 109 F HA 0.436 4.967 4.527 0.006 0.000 0.295 109 F C 1.768 177.635 175.800 0.112 0.000 1.124 109 F CA 0.120 58.081 58.000 -0.066 0.000 1.426 109 F CB -0.660 38.238 39.000 -0.170 0.000 1.120 109 F HN 0.414 nan 8.300 nan 0.000 0.583 110 G N 0.410 109.311 108.800 0.169 0.000 2.685 110 G HA2 -0.117 3.847 3.960 0.007 0.000 0.387 110 G HA3 -0.117 3.847 3.960 0.007 0.000 0.387 110 G C -2.927 172.151 174.900 0.298 0.000 1.324 110 G CA -1.062 44.178 45.100 0.234 0.000 0.878 110 G HN -0.001 nan 8.290 nan 0.000 0.527 111 P HA 0.549 nan 4.420 nan 0.000 0.274 111 P C -0.034 177.223 177.300 -0.072 0.000 1.246 111 P CA -0.170 62.710 63.100 -0.366 0.000 0.795 111 P CB 0.814 32.152 31.700 -0.604 0.000 1.006 112 I N -2.621 117.862 120.570 -0.144 0.000 3.076 112 I HA 0.804 4.978 4.170 0.007 0.000 0.313 112 I C 0.932 176.987 176.117 -0.105 0.000 1.053 112 I CA -0.589 60.664 61.300 -0.078 0.000 1.048 112 I CB 0.281 38.213 38.000 -0.113 0.000 1.264 112 I HN 0.745 nan 8.210 nan 0.000 0.498 113 G N 0.964 109.717 108.800 -0.078 0.000 2.578 113 G HA2 0.360 4.324 3.960 0.007 0.000 0.275 113 G HA3 0.360 4.324 3.960 0.007 0.000 0.275 113 G C 0.371 175.229 174.900 -0.071 0.000 1.271 113 G CA 0.208 45.263 45.100 -0.076 0.000 0.941 113 G HN 2.888 nan 8.290 nan 0.000 0.564 114 G N -3.233 105.501 108.800 -0.109 0.000 2.907 114 G HA2 0.238 4.202 3.960 0.007 0.000 0.686 114 G HA3 0.238 4.202 3.960 0.007 0.000 0.686 114 G C 0.524 175.233 174.900 -0.319 0.000 1.115 114 G CA 0.528 45.519 45.100 -0.181 0.000 0.760 114 G HN 1.402 nan 8.290 nan 0.000 0.620 115 M N 1.708 121.002 119.600 -0.511 0.000 2.296 115 M HA 0.020 4.505 4.480 0.007 0.000 0.265 115 M C 2.642 178.765 176.300 -0.295 0.000 1.064 115 M CA 2.424 57.297 55.300 -0.712 0.000 1.109 115 M CB -0.199 31.695 32.600 -1.177 0.000 1.396 115 M HN 0.831 nan 8.290 nan 0.000 0.430 116 G N -0.107 108.577 108.800 -0.193 0.000 2.453 116 G HA2 -0.169 3.795 3.960 0.007 0.000 0.215 116 G HA3 -0.169 3.795 3.960 0.007 0.000 0.215 116 G C 1.592 176.464 174.900 -0.046 0.000 1.201 116 G CA 0.920 45.984 45.100 -0.061 0.000 0.784 116 G HN 0.529 nan 8.290 nan 0.000 0.545 117 A N 0.294 123.068 122.820 -0.077 0.000 1.902 117 A HA 0.065 4.389 4.320 0.007 0.000 0.217 117 A C 2.370 179.902 177.584 -0.087 0.000 1.181 117 A CA 1.751 53.743 52.037 -0.075 0.000 0.623 117 A CB -0.494 18.465 19.000 -0.069 0.000 0.818 117 A HN 0.457 nan 8.150 nan 0.000 0.443 118 L N -0.040 121.118 121.223 -0.109 0.000 2.012 118 L HA -0.128 4.216 4.340 0.007 0.000 0.210 118 L C 2.414 179.269 176.870 -0.025 0.000 1.073 118 L CA 2.885 57.658 54.840 -0.111 0.000 0.748 118 L CB -1.239 40.694 42.059 -0.210 0.000 0.891 118 L HN 0.375 nan 8.230 nan 0.000 0.431 119 T N -0.002 114.597 114.554 0.075 0.000 2.708 119 T HA -0.149 4.205 4.350 0.007 0.000 0.266 119 T C 1.930 176.637 174.700 0.013 0.000 1.037 119 T CA 1.400 63.564 62.100 0.107 0.000 1.146 119 T CB -0.611 68.390 68.868 0.221 0.000 0.865 119 T HN 0.535 nan 8.240 nan 0.000 0.435 120 A N 1.330 124.142 122.820 -0.013 0.000 1.908 120 A HA -0.059 4.266 4.320 0.007 0.000 0.218 120 A C 2.246 179.783 177.584 -0.079 0.000 1.181 120 A CA 1.394 53.404 52.037 -0.045 0.000 0.627 120 A CB -0.840 18.125 19.000 -0.057 0.000 0.818 120 A HN 0.391 nan 8.150 nan 0.000 0.445 121 L N -0.109 121.048 121.223 -0.110 0.000 2.027 121 L HA -0.069 4.275 4.340 0.007 0.000 0.206 121 L C 2.256 179.083 176.870 -0.072 0.000 1.074 121 L CA 1.683 56.432 54.840 -0.150 0.000 0.745 121 L CB -0.543 41.404 42.059 -0.185 0.000 0.898 121 L HN 0.437 nan 8.230 nan 0.000 0.433 122 I N -0.748 119.802 120.570 -0.035 0.000 2.208 122 I HA -0.333 3.841 4.170 0.007 0.000 0.245 122 I C 2.615 178.729 176.117 -0.005 0.000 1.097 122 I CA 1.319 62.620 61.300 0.003 0.000 1.363 122 I CB -0.274 37.739 38.000 0.022 0.000 1.051 122 I HN 0.261 nan 8.210 nan 0.000 0.413 123 R N 0.257 120.745 120.500 -0.020 0.000 2.075 123 R HA -0.192 4.152 4.340 0.007 0.000 0.232 123 R C 1.959 178.248 176.300 -0.018 0.000 1.126 123 R CA 1.872 57.959 56.100 -0.021 0.000 0.963 123 R CB -0.465 29.820 30.300 -0.026 0.000 0.858 123 R HN 0.371 nan 8.270 nan 0.000 0.435 124 D N 0.302 120.684 120.400 -0.030 0.000 2.104 124 D HA -0.188 4.457 4.640 0.007 0.000 0.194 124 D C 1.965 178.263 176.300 -0.003 0.000 0.994 124 D CA 1.273 55.258 54.000 -0.025 0.000 0.830 124 D CB 0.227 40.992 40.800 -0.058 0.000 0.959 124 D HN 0.067 nan 8.370 nan 0.000 0.452 125 Q N 0.210 120.011 119.800 0.001 0.000 2.079 125 Q HA -0.133 4.212 4.340 0.007 0.000 0.200 125 Q C 2.209 178.225 176.000 0.026 0.000 0.974 125 Q CA 0.932 56.750 55.803 0.025 0.000 0.840 125 Q CB -0.369 28.392 28.738 0.038 0.000 0.898 125 Q HN 0.385 nan 8.270 nan 0.000 0.430 126 K N 0.491 120.902 120.400 0.018 0.000 2.097 126 K HA -0.083 4.241 4.320 0.007 0.000 0.206 126 K C 1.983 178.590 176.600 0.011 0.000 1.049 126 K CA 1.088 57.384 56.287 0.015 0.000 0.933 126 K CB -0.025 32.478 32.500 0.005 0.000 0.717 126 K HN 0.147 nan 8.250 nan 0.000 0.442 127 A N 1.079 123.903 122.820 0.007 0.000 1.969 127 A HA -0.123 4.201 4.320 0.007 0.000 0.218 127 A C 1.991 179.583 177.584 0.014 0.000 1.169 127 A CA 1.090 53.130 52.037 0.006 0.000 0.635 127 A CB -0.295 18.706 19.000 0.001 0.000 0.810 127 A HN 0.269 nan 8.150 nan 0.000 0.445 128 R N -0.830 119.682 120.500 0.020 0.000 2.062 128 R HA -0.042 4.303 4.340 0.007 0.000 0.229 128 R C 2.037 178.355 176.300 0.030 0.000 1.128 128 R CA 1.373 57.490 56.100 0.027 0.000 0.960 128 R CB -0.489 29.834 30.300 0.037 0.000 0.855 128 R HN 0.367 nan 8.270 nan 0.000 0.432 129 V N 1.459 121.392 119.914 0.032 0.000 2.343 129 V HA -0.230 3.894 4.120 0.007 0.000 0.247 129 V C 1.894 178.005 176.094 0.027 0.000 1.051 129 V CA 1.835 64.156 62.300 0.035 0.000 1.036 129 V CB -0.385 31.461 31.823 0.038 0.000 0.654 129 V HN 0.362 nan 8.190 nan 0.000 0.451 130 E N 0.134 120.346 120.200 0.020 0.000 2.152 130 E HA -0.090 4.264 4.350 0.007 0.000 0.192 130 E C 2.250 178.859 176.600 0.014 0.000 0.983 130 E CA 1.045 57.454 56.400 0.016 0.000 0.818 130 E CB -0.283 29.423 29.700 0.009 0.000 0.758 130 E HN 0.597 nan 8.360 nan 0.000 0.467 131 A N 1.234 124.063 122.820 0.015 0.000 2.067 131 A HA -0.177 4.148 4.320 0.007 0.000 0.219 131 A C 1.643 179.236 177.584 0.016 0.000 1.158 131 A CA 1.065 53.111 52.037 0.014 0.000 0.661 131 A CB -0.205 18.804 19.000 0.015 0.000 0.801 131 A HN 0.137 nan 8.150 nan 0.000 0.452 132 E N -1.429 118.783 120.200 0.020 0.000 2.489 132 E HA 0.278 4.632 4.350 0.007 0.000 0.193 132 E C 1.065 177.676 176.600 0.018 0.000 1.057 132 E CA 0.266 56.678 56.400 0.021 0.000 0.866 132 E CB -0.021 29.696 29.700 0.029 0.000 0.916 132 E HN 0.682 nan 8.360 nan 0.000 0.500 133 G N 1.159 109.969 108.800 0.017 0.000 2.143 133 G HA2 -0.250 3.715 3.960 0.007 0.000 0.248 133 G HA3 -0.250 3.715 3.960 0.007 0.000 0.248 133 G C 0.414 175.327 174.900 0.021 0.000 0.991 133 G CA -0.135 44.974 45.100 0.016 0.000 0.689 133 G HN 0.469 nan 8.290 nan 0.000 0.522 134 G N -0.695 108.121 108.800 0.026 0.000 2.477 134 G HA2 0.616 4.580 3.960 0.007 0.000 0.304 134 G HA3 0.616 4.580 3.960 0.007 0.000 0.304 134 G C -0.183 174.736 174.900 0.032 0.000 1.175 134 G CA -0.100 45.020 45.100 0.033 0.000 0.907 134 G HN 0.601 nan 8.290 nan 0.000 0.509 135 K N -0.088 120.335 120.400 0.038 0.000 2.240 135 K HA 0.628 4.952 4.320 0.007 0.000 0.271 135 K C -0.231 176.382 176.600 0.023 0.000 1.018 135 K CA -0.294 56.013 56.287 0.032 0.000 0.874 135 K CB 1.111 33.637 32.500 0.044 0.000 1.098 135 K HN 0.557 nan 8.250 nan 0.000 0.458 136 A N 5.431 128.258 122.820 0.012 0.000 2.318 136 A HA 0.671 4.995 4.320 0.007 0.000 0.324 136 A C -1.220 176.352 177.584 -0.021 0.000 1.170 136 A CA -0.847 51.194 52.037 0.006 0.000 0.810 136 A CB 0.499 19.508 19.000 0.015 0.000 1.198 136 A HN 0.720 nan 8.150 nan 0.000 0.484 137 L N 2.464 123.669 121.223 -0.030 0.000 2.365 137 L HA 0.537 4.882 4.340 0.007 0.000 0.273 137 L C -0.839 176.032 176.870 0.001 0.000 1.000 137 L CA -1.011 53.792 54.840 -0.062 0.000 0.819 137 L CB 2.166 44.142 42.059 -0.138 0.000 1.284 137 L HN 0.409 nan 8.230 nan 0.000 0.418 138 V N 4.834 124.752 119.914 0.008 0.000 2.328 138 V HA 0.413 4.537 4.120 0.007 0.000 0.278 138 V C -0.060 176.075 176.094 0.067 0.000 1.021 138 V CA -0.291 62.051 62.300 0.070 0.000 0.838 138 V CB 1.379 33.243 31.823 0.069 0.000 0.999 138 V HN 0.476 nan 8.190 nan 0.000 0.447 139 L N 4.259 125.533 121.223 0.085 0.000 2.341 139 L HA 0.638 4.982 4.340 0.007 0.000 0.278 139 L C -0.722 176.075 176.870 -0.121 0.000 1.005 139 L CA -0.523 54.349 54.840 0.053 0.000 0.818 139 L CB 2.087 44.194 42.059 0.079 0.000 1.259 139 L HN 0.486 nan 8.230 nan 0.000 0.418 140 D N 1.743 122.007 120.400 -0.226 0.000 2.344 140 D HA 0.299 4.943 4.640 0.007 0.000 0.239 140 D C 0.858 177.032 176.300 -0.209 0.000 1.064 140 D CA -0.406 53.259 54.000 -0.557 0.000 0.829 140 D CB 2.298 42.818 40.800 -0.467 0.000 1.129 140 D HN 0.619 nan 8.370 nan 0.000 0.506 141 G N 2.167 110.893 108.800 -0.124 0.000 2.848 141 G HA2 0.422 4.386 3.960 0.007 0.000 0.208 141 G HA3 0.422 4.386 3.960 0.007 0.000 0.208 141 G C 0.864 175.861 174.900 0.162 0.000 1.152 141 G CA 0.355 45.530 45.100 0.124 0.000 0.789 141 G HN 0.952 nan 8.290 nan 0.000 0.531 142 G N -0.236 108.551 108.800 -0.022 0.000 2.655 142 G HA2 0.116 4.081 3.960 0.007 0.000 0.680 142 G HA3 0.116 4.081 3.960 0.007 0.000 0.680 142 G C -0.218 174.652 174.900 -0.050 0.000 1.302 142 G CA -0.097 44.955 45.100 -0.080 0.000 0.872 142 G HN 0.583 nan 8.290 nan 0.000 0.540 143 D N -1.273 118.997 120.400 -0.217 0.000 2.723 143 D HA -0.137 4.508 4.640 0.007 0.000 0.236 143 D C 1.424 177.417 176.300 -0.512 0.000 1.138 143 D CA 2.201 55.975 54.000 -0.376 0.000 0.676 143 D CB -1.276 39.386 40.800 -0.229 0.000 1.069 143 D HN 0.813 nan 8.370 nan 0.000 0.430 144 T N -2.362 111.995 114.554 -0.327 0.000 3.045 144 T HA -0.024 4.330 4.350 0.007 0.000 0.239 144 T C 1.525 176.246 174.700 0.036 0.000 1.008 144 T CA 0.255 62.283 62.100 -0.120 0.000 1.143 144 T CB 0.011 68.872 68.868 -0.011 0.000 0.894 144 T HN 0.199 nan 8.240 nan 0.000 0.451 145 W N 3.458 124.662 121.300 -0.160 0.000 2.595 145 W HA 0.196 4.860 4.660 0.006 0.000 0.257 145 W C 1.415 177.827 176.519 -0.179 0.000 1.267 145 W CA 0.194 57.452 57.345 -0.145 0.000 1.300 145 W CB -1.331 28.027 29.460 -0.170 0.000 1.120 145 W HN 0.282 nan 8.180 nan 0.000 0.618 146 T N -2.515 112.025 114.554 -0.024 0.000 2.919 146 T HA 0.409 4.764 4.350 0.007 0.000 0.282 146 T C 0.106 174.622 174.700 -0.308 0.000 1.020 146 T CA -0.535 61.478 62.100 -0.144 0.000 0.994 146 T CB 1.346 70.141 68.868 -0.122 0.000 1.180 146 T HN 0.132 nan 8.240 nan 0.000 0.566 147 N N -0.283 118.168 118.700 -0.414 0.000 2.746 147 N HA -0.124 4.620 4.740 0.007 0.000 0.250 147 N C -0.472 174.842 175.510 -0.326 0.000 1.055 147 N CA 0.686 53.365 53.050 -0.618 0.000 0.699 147 N CB -1.738 35.895 38.487 -1.423 0.000 0.919 147 N HN 1.112 nan 8.380 nan 0.000 0.548 148 S N -3.199 112.382 115.700 -0.197 0.000 2.587 148 S HA 0.729 5.203 4.470 0.007 0.000 0.269 148 S C 1.142 175.666 174.600 -0.127 0.000 1.154 148 S CA -0.550 57.584 58.200 -0.111 0.000 0.824 148 S CB 1.390 64.508 63.200 -0.136 0.000 1.118 148 S HN 0.241 nan 8.310 nan 0.000 0.462 149 G N 0.815 109.594 108.800 -0.035 0.000 2.480 149 G HA2 -0.122 3.842 3.960 0.007 0.000 0.216 149 G HA3 -0.122 3.842 3.960 0.007 0.000 0.216 149 G C 1.254 176.032 174.900 -0.203 0.000 1.200 149 G CA 1.084 46.105 45.100 -0.132 0.000 0.782 149 G HN 0.907 nan 8.290 nan 0.000 0.554 150 L N 1.031 122.199 121.223 -0.092 0.000 2.021 150 L HA -0.123 4.221 4.340 0.007 0.000 0.215 150 L C 2.915 179.698 176.870 -0.145 0.000 1.074 150 L CA 2.782 57.559 54.840 -0.104 0.000 0.760 150 L CB -0.810 41.192 42.059 -0.096 0.000 0.889 150 L HN 0.268 nan 8.230 nan 0.000 0.433 151 S N -0.951 114.659 115.700 -0.150 0.000 2.348 151 S HA -0.181 4.294 4.470 0.007 0.000 0.221 151 S C 2.053 176.545 174.600 -0.179 0.000 1.033 151 S CA 1.709 59.823 58.200 -0.143 0.000 1.010 151 S CB -0.502 62.620 63.200 -0.130 0.000 0.891 151 S HN 0.493 nan 8.310 nan 0.000 0.442 152 L N 0.882 121.956 121.223 -0.249 0.000 2.042 152 L HA -0.092 4.252 4.340 0.007 0.000 0.210 152 L C 2.375 179.073 176.870 -0.287 0.000 1.076 152 L CA 1.154 55.823 54.840 -0.286 0.000 0.749 152 L CB -0.506 41.268 42.059 -0.476 0.000 0.893 152 L HN 0.358 nan 8.230 nan 0.000 0.432 153 L N -0.711 120.312 121.223 -0.334 0.000 2.362 153 L HA -0.116 4.228 4.340 0.007 0.000 0.219 153 L C 1.903 178.642 176.870 -0.217 0.000 1.134 153 L CA 1.418 56.056 54.840 -0.337 0.000 0.807 153 L CB -0.493 41.296 42.059 -0.449 0.000 0.927 153 L HN 0.438 nan 8.230 nan 0.000 0.447 154 T N -5.227 109.226 114.554 -0.168 0.000 3.170 154 T HA 0.213 4.567 4.350 0.007 0.000 0.288 154 T C 0.747 175.378 174.700 -0.116 0.000 0.992 154 T CA -0.563 61.466 62.100 -0.118 0.000 0.909 154 T CB 0.160 68.971 68.868 -0.094 0.000 1.133 154 T HN 0.146 nan 8.240 nan 0.000 0.530 155 R N 0.934 121.362 120.500 -0.120 0.000 3.405 155 R HA -0.204 4.140 4.340 0.007 0.000 0.258 155 R C 1.409 177.627 176.300 -0.137 0.000 1.030 155 R CA 0.603 56.640 56.100 -0.105 0.000 0.691 155 R CB -2.088 28.164 30.300 -0.080 0.000 1.093 155 R HN 0.991 nan 8.270 nan 0.000 0.448 156 G N -0.459 108.254 108.800 -0.145 0.000 2.267 156 G HA2 -0.435 3.530 3.960 0.007 0.000 0.257 156 G HA3 -0.435 3.530 3.960 0.007 0.000 0.257 156 G C 0.625 175.351 174.900 -0.291 0.000 0.998 156 G CA 0.769 45.753 45.100 -0.194 0.000 0.620 156 G HN 0.579 nan 8.290 nan 0.000 0.529 157 E N 0.758 120.820 120.200 -0.230 0.000 2.070 157 E HA -0.049 4.305 4.350 0.007 0.000 0.197 157 E C 2.799 179.354 176.600 -0.075 0.000 1.004 157 E CA 1.975 58.256 56.400 -0.198 0.000 0.805 157 E CB -0.402 29.225 29.700 -0.122 0.000 0.744 157 E HN 0.962 nan 8.360 nan 0.000 0.451 158 A N 0.399 123.229 122.820 0.016 0.000 1.972 158 A HA -0.124 4.200 4.320 0.007 0.000 0.219 158 A C 2.347 180.084 177.584 0.255 0.000 1.169 158 A CA 1.414 53.585 52.037 0.223 0.000 0.635 158 A CB -0.444 18.616 19.000 0.100 0.000 0.810 158 A HN 0.238 nan 8.150 nan 0.000 0.446 159 V N -0.478 119.491 119.914 0.091 0.000 2.358 159 V HA -0.196 3.928 4.120 0.007 0.000 0.246 159 V C 2.518 178.733 176.094 0.203 0.000 1.047 159 V CA 1.807 64.218 62.300 0.185 0.000 1.035 159 V CB -0.816 31.096 31.823 0.148 0.000 0.658 159 V HN 0.365 nan 8.190 nan 0.000 0.452 160 V N 0.099 119.955 119.914 -0.098 0.000 2.343 160 V HA -0.247 3.877 4.120 0.007 0.000 0.247 160 V C 2.628 178.731 176.094 0.016 0.000 1.051 160 V CA 1.974 64.214 62.300 -0.099 0.000 1.036 160 V CB -0.831 30.750 31.823 -0.403 0.000 0.654 160 V HN 0.468 nan 8.190 nan 0.000 0.451 161 R N -1.232 119.253 120.500 -0.024 0.000 2.081 161 R HA -0.225 4.119 4.340 0.007 0.000 0.235 161 R C 2.159 178.280 176.300 -0.297 0.000 1.131 161 R CA 2.031 58.033 56.100 -0.164 0.000 0.960 161 R CB -0.474 29.723 30.300 -0.172 0.000 0.856 161 R HN 0.717 nan 8.270 nan 0.000 0.436 162 W N 2.250 123.384 121.300 -0.277 0.000 2.358 162 W HA -0.167 4.496 4.660 0.006 0.000 0.303 162 W C 1.846 178.308 176.519 -0.094 0.000 1.208 162 W CA 1.179 58.383 57.345 -0.235 0.000 1.274 162 W CB -0.249 29.179 29.460 -0.053 0.000 1.138 162 W HN 0.032 nan 8.180 nan 0.000 0.515 163 Q N 0.124 119.693 119.800 -0.385 0.000 2.152 163 Q HA -0.251 4.093 4.340 0.007 0.000 0.206 163 Q C 1.896 177.662 176.000 -0.390 0.000 0.985 163 Q CA 1.835 57.338 55.803 -0.499 0.000 0.863 163 Q CB -0.467 28.368 28.738 0.162 0.000 0.904 163 Q HN 0.329 nan 8.270 nan 0.000 0.422 164 N N 0.188 118.730 118.700 -0.262 0.000 2.244 164 N HA -0.078 4.666 4.740 0.007 0.000 0.183 164 N C 1.690 177.020 175.510 -0.300 0.000 1.016 164 N CA 0.795 53.694 53.050 -0.252 0.000 0.866 164 N CB -0.074 38.299 38.487 -0.190 0.000 0.980 164 N HN 0.229 nan 8.380 nan 0.000 0.430 165 L N -0.269 120.725 121.223 -0.382 0.000 2.044 165 L HA -0.053 4.292 4.340 0.007 0.000 0.205 165 L C 2.297 178.978 176.870 -0.316 0.000 1.075 165 L CA 0.691 55.335 54.840 -0.326 0.000 0.747 165 L CB -0.465 41.404 42.059 -0.316 0.000 0.903 165 L HN 0.008 nan 8.230 nan 0.000 0.435 166 V N -0.028 119.591 119.914 -0.491 0.000 2.379 166 V HA 0.026 4.151 4.120 0.007 0.000 0.245 166 V C 1.075 177.018 176.094 -0.251 0.000 1.044 166 V CA 1.457 63.535 62.300 -0.371 0.000 1.036 166 V CB -0.226 31.290 31.823 -0.512 0.000 0.664 166 V HN 0.688 nan 8.190 nan 0.000 0.453 167 G N 0.116 108.752 108.800 -0.274 0.000 2.842 167 G HA2 -0.128 3.836 3.960 0.007 0.000 0.242 167 G HA3 -0.128 3.836 3.960 0.007 0.000 0.242 167 G C -0.398 174.412 174.900 -0.149 0.000 1.135 167 G CA -0.157 44.825 45.100 -0.196 0.000 1.048 167 G HN 0.716 nan 8.290 nan 0.000 0.530 168 V N 1.365 121.195 119.914 -0.140 0.000 2.508 168 V HA 0.213 4.338 4.120 0.007 0.000 0.281 168 V C 1.288 177.316 176.094 -0.110 0.000 1.041 168 V CA 0.182 62.468 62.300 -0.024 0.000 1.016 168 V CB 1.323 33.245 31.823 0.165 0.000 0.984 168 V HN 0.509 nan 8.190 nan 0.000 0.478 169 D N 1.739 122.078 120.400 -0.101 0.000 2.137 169 D HA 0.021 4.665 4.640 0.007 0.000 0.202 169 D C 0.532 176.599 176.300 -0.388 0.000 0.970 169 D CA 1.385 55.228 54.000 -0.261 0.000 0.837 169 D CB 0.296 40.948 40.800 -0.247 0.000 0.981 169 D HN 0.622 nan 8.370 nan 0.000 0.475 170 H N -1.261 117.869 119.070 0.101 0.000 3.016 170 H HA 0.476 5.036 4.556 0.007 0.000 0.362 170 H C -0.391 174.993 175.328 0.094 0.000 1.233 170 H CA -0.631 55.494 56.048 0.128 0.000 1.124 170 H CB 2.249 32.043 29.762 0.054 0.000 1.850 170 H HN -0.058 nan 8.280 nan 0.000 0.549 171 M N 0.572 120.246 119.600 0.123 0.000 2.578 171 M HA 0.622 5.106 4.480 0.007 0.000 0.276 171 M C -1.392 174.624 176.300 -0.475 0.000 1.245 171 M CA -0.931 54.275 55.300 -0.157 0.000 0.871 171 M CB 2.594 35.044 32.600 -0.250 0.000 1.722 171 M HN 0.335 nan 8.290 nan 0.000 0.473 172 V N -0.692 118.963 119.914 -0.431 0.000 3.240 172 V HA 1.009 5.133 4.120 0.007 0.000 0.306 172 V C -0.307 175.560 176.094 -0.379 0.000 1.227 172 V CA -0.001 61.978 62.300 -0.535 0.000 1.047 172 V CB 1.243 32.950 31.823 -0.195 0.000 1.203 172 V HN 1.234 nan 8.190 nan 0.000 0.471 173 S N -1.780 113.840 115.700 -0.133 0.000 2.651 173 S HA 0.733 5.207 4.470 0.007 0.000 0.279 173 S C -0.372 174.254 174.600 0.044 0.000 1.148 173 S CA 0.249 58.432 58.200 -0.028 0.000 0.837 173 S CB 2.038 65.406 63.200 0.279 0.000 1.138 173 S HN 1.447 nan 8.310 nan 0.000 0.478 174 H N -0.994 117.987 119.070 -0.147 0.000 4.940 174 H HA 0.143 4.703 4.556 0.007 0.000 0.098 174 H C 0.043 175.372 175.328 0.002 0.000 1.282 174 H CA -0.221 55.780 56.048 -0.078 0.000 0.817 174 H CB -0.501 28.995 29.762 -0.443 0.000 1.352 174 H HN 0.557 nan 8.280 nan 0.000 0.128 175 W N 2.355 123.382 121.300 -0.454 0.000 2.468 175 W HA -0.019 4.645 4.660 0.007 0.000 0.262 175 W C 1.911 178.240 176.519 -0.316 0.000 1.241 175 W CA 1.240 58.301 57.345 -0.474 0.000 1.232 175 W CB 0.104 29.288 29.460 -0.460 0.000 1.124 175 W HN 0.496 nan 8.180 nan 0.000 0.597 176 E N -1.165 118.929 120.200 -0.178 0.000 2.130 176 E HA -0.236 4.118 4.350 0.007 0.000 0.196 176 E C 1.436 177.834 176.600 -0.337 0.000 0.998 176 E CA 1.713 57.911 56.400 -0.337 0.000 0.806 176 E CB -0.776 28.434 29.700 -0.817 0.000 0.738 176 E HN 0.417 nan 8.360 nan 0.000 0.459 177 W N 0.431 121.673 121.300 -0.097 0.000 2.611 177 W HA -0.065 4.599 4.660 0.007 0.000 0.251 177 W C 1.982 178.335 176.519 -0.277 0.000 1.265 177 W CA 1.319 58.613 57.345 -0.086 0.000 1.295 177 W CB -0.582 28.876 29.460 -0.004 0.000 1.129 177 W HN 0.103 nan 8.180 nan 0.000 0.630 178 T N -2.256 112.150 114.554 -0.246 0.000 3.163 178 T HA -0.040 4.314 4.350 0.007 0.000 0.260 178 T C 1.418 175.656 174.700 -0.769 0.000 1.156 178 T CA 0.646 62.381 62.100 -0.609 0.000 1.072 178 T CB -0.374 68.479 68.868 -0.025 0.000 0.937 178 T HN 0.201 nan 8.240 nan 0.000 0.528 179 L N 0.719 121.713 121.223 -0.382 0.000 2.558 179 L HA 0.363 4.707 4.340 0.007 0.000 0.225 179 L C 1.398 178.150 176.870 -0.197 0.000 1.128 179 L CA 0.254 54.956 54.840 -0.230 0.000 0.868 179 L CB -0.761 41.241 42.059 -0.094 0.000 1.006 179 L HN 0.651 nan 8.230 nan 0.000 0.454 180 G N 0.049 108.711 108.800 -0.229 0.000 2.777 180 G HA2 -0.207 3.758 3.960 0.007 0.000 0.686 180 G HA3 -0.207 3.758 3.960 0.007 0.000 0.686 180 G C 0.303 175.337 174.900 0.223 0.000 1.177 180 G CA -0.373 44.798 45.100 0.119 0.000 0.775 180 G HN 0.096 nan 8.290 nan 0.000 0.613 181 R N 0.477 121.207 120.500 0.383 0.000 2.136 181 R HA -0.219 4.126 4.340 0.007 0.000 0.242 181 R C 2.517 178.971 176.300 0.256 0.000 1.131 181 R CA 2.505 58.872 56.100 0.446 0.000 0.937 181 R CB -0.321 30.198 30.300 0.364 0.000 0.863 181 R HN 0.824 nan 8.270 nan 0.000 0.435 182 E N 0.104 120.412 120.200 0.180 0.000 2.049 182 E HA -0.289 4.065 4.350 0.007 0.000 0.198 182 E C 2.061 178.699 176.600 0.065 0.000 1.007 182 E CA 1.679 58.147 56.400 0.113 0.000 0.809 182 E CB -0.072 29.685 29.700 0.095 0.000 0.749 182 E HN 0.030 nan 8.360 nan 0.000 0.450 183 R N 0.249 120.775 120.500 0.044 0.000 2.120 183 R HA -0.083 4.261 4.340 0.007 0.000 0.234 183 R C 2.110 178.376 176.300 -0.057 0.000 1.123 183 R CA 1.375 57.465 56.100 -0.016 0.000 0.975 183 R CB -0.716 29.566 30.300 -0.031 0.000 0.866 183 R HN 0.183 nan 8.270 nan 0.000 0.446 184 V N 1.459 121.343 119.914 -0.050 0.000 2.307 184 V HA -0.204 3.920 4.120 0.007 0.000 0.245 184 V C 2.074 178.129 176.094 -0.064 0.000 1.045 184 V CA 2.145 64.376 62.300 -0.114 0.000 1.024 184 V CB -0.458 31.060 31.823 -0.508 0.000 0.651 184 V HN 0.407 nan 8.190 nan 0.000 0.449 185 E N -0.111 120.096 120.200 0.013 0.000 2.085 185 E HA -0.288 4.066 4.350 0.007 0.000 0.194 185 E C 2.121 178.731 176.600 0.016 0.000 0.994 185 E CA 1.403 57.836 56.400 0.055 0.000 0.801 185 E CB -0.248 29.507 29.700 0.091 0.000 0.743 185 E HN 0.680 nan 8.360 nan 0.000 0.453 186 E N 0.796 120.988 120.200 -0.014 0.000 2.038 186 E HA -0.147 4.208 4.350 0.007 0.000 0.195 186 E C 2.371 178.923 176.600 -0.079 0.000 1.000 186 E CA 0.731 57.108 56.400 -0.039 0.000 0.803 186 E CB -0.089 29.579 29.700 -0.053 0.000 0.750 186 E HN 0.203 nan 8.360 nan 0.000 0.448 187 L N 0.731 121.855 121.223 -0.166 0.000 2.131 187 L HA -0.198 4.146 4.340 0.007 0.000 0.210 187 L C 2.459 179.244 176.870 -0.141 0.000 1.092 187 L CA 0.684 55.334 54.840 -0.316 0.000 0.759 187 L CB -0.286 41.305 42.059 -0.781 0.000 0.903 187 L HN 0.227 nan 8.230 nan 0.000 0.435 188 L N -0.624 120.600 121.223 0.001 0.000 2.362 188 L HA -0.092 4.252 4.340 0.007 0.000 0.219 188 L C 2.468 179.422 176.870 0.141 0.000 1.134 188 L CA 0.874 55.800 54.840 0.143 0.000 0.807 188 L CB -0.758 41.347 42.059 0.077 0.000 0.927 188 L HN 0.300 nan 8.230 nan 0.000 0.447 189 G N -0.215 108.622 108.800 0.061 0.000 2.464 189 G HA2 -0.186 3.778 3.960 0.007 0.000 0.217 189 G HA3 -0.186 3.778 3.960 0.007 0.000 0.217 189 G C 1.487 176.406 174.900 0.033 0.000 1.138 189 G CA 0.216 45.343 45.100 0.045 0.000 0.793 189 G HN 0.237 nan 8.290 nan 0.000 0.539 190 L N -0.598 120.639 121.223 0.023 0.000 2.253 190 L HA 0.476 4.820 4.340 0.007 0.000 0.205 190 L C 0.765 177.671 176.870 0.059 0.000 1.078 190 L CA -0.311 54.532 54.840 0.005 0.000 0.805 190 L CB -0.390 41.640 42.059 -0.048 0.000 0.963 190 L HN 0.066 nan 8.230 nan 0.000 0.459 191 F N 1.282 121.210 119.950 -0.036 0.000 2.546 191 F HA 0.035 4.566 4.527 0.007 0.000 0.388 191 F C 1.505 177.316 175.800 0.020 0.000 1.051 191 F CA 0.412 58.427 58.000 0.024 0.000 1.130 191 F CB 0.213 39.309 39.000 0.159 0.000 1.044 191 F HN 0.041 nan 8.300 nan 0.000 0.553 192 R N 3.437 123.661 120.500 -0.461 0.000 2.236 192 R HA 0.104 4.448 4.340 0.007 0.000 0.208 192 R C 1.386 177.308 176.300 -0.630 0.000 1.036 192 R CA 0.439 56.279 56.100 -0.433 0.000 1.001 192 R CB -0.245 29.881 30.300 -0.291 0.000 0.896 192 R HN 0.778 nan 8.270 nan 0.000 0.464 193 G N 0.565 108.561 108.800 -1.340 0.000 2.588 193 G HA2 0.021 3.986 3.960 0.007 0.000 0.278 193 G HA3 0.021 3.986 3.960 0.007 0.000 0.278 193 G C -1.001 173.626 174.900 -0.454 0.000 1.307 193 G CA -0.500 44.025 45.100 -0.959 0.000 1.016 193 G HN 0.121 nan 8.290 nan 0.000 0.503 194 E N -0.458 119.703 120.200 -0.065 0.000 2.092 194 E HA 0.288 4.642 4.350 0.007 0.000 0.271 194 E C -1.154 175.743 176.600 0.495 0.000 0.919 194 E CA -0.696 55.840 56.400 0.228 0.000 0.760 194 E CB 0.712 30.520 29.700 0.180 0.000 1.106 194 E HN 0.246 nan 8.360 nan 0.000 0.408 195 F N 5.421 125.584 119.950 0.356 0.000 2.495 195 F HA 0.247 4.778 4.527 0.007 0.000 0.365 195 F C -0.927 174.923 175.800 0.083 0.000 1.090 195 F CA 0.068 58.158 58.000 0.149 0.000 1.235 195 F CB 0.383 39.328 39.000 -0.093 0.000 1.119 195 F HN 0.393 nan 8.300 nan 0.000 0.562 196 L N 5.018 126.049 121.223 -0.319 0.000 2.354 196 L HA 0.655 4.999 4.340 0.007 0.000 0.269 196 L C -0.728 175.997 176.870 -0.243 0.000 1.005 196 L CA -0.713 54.050 54.840 -0.129 0.000 0.819 196 L CB 2.127 44.118 42.059 -0.114 0.000 1.311 196 L HN 0.561 nan 8.230 nan 0.000 0.423 197 S N -0.434 115.305 115.700 0.065 0.000 2.581 197 S HA 0.114 4.589 4.470 0.007 0.000 0.306 197 S C -0.273 174.420 174.600 0.156 0.000 1.080 197 S CA -0.722 57.540 58.200 0.103 0.000 0.925 197 S CB 0.756 64.047 63.200 0.152 0.000 1.128 197 S HN 0.689 nan 8.310 nan 0.000 0.451 198 Y N 3.136 123.477 120.300 0.069 0.000 2.475 198 Y HA 0.172 4.726 4.550 0.007 0.000 0.289 198 Y C 1.471 177.388 175.900 0.029 0.000 1.121 198 Y CA 1.476 59.612 58.100 0.060 0.000 1.257 198 Y CB -0.090 38.403 38.460 0.055 0.000 1.026 198 Y HN 0.625 nan 8.280 nan 0.000 0.555 199 N N 1.137 119.223 118.700 -1.023 0.000 2.325 199 N HA 0.057 4.801 4.740 0.007 0.000 0.182 199 N C -0.051 175.156 175.510 -0.504 0.000 1.088 199 N CA 0.087 52.554 53.050 -0.971 0.000 0.879 199 N CB -0.121 37.634 38.487 -1.220 0.000 0.983 199 N HN 0.417 nan 8.380 nan 0.000 0.471 200 I N 2.624 122.961 120.570 -0.389 0.000 2.322 200 I HA 0.142 4.316 4.170 0.007 0.000 0.292 200 I C 0.115 176.036 176.117 -0.327 0.000 1.060 200 I CA -0.733 60.263 61.300 -0.507 0.000 1.309 200 I CB 0.922 38.686 38.000 -0.393 0.000 1.415 200 I HN -0.085 nan 8.210 nan 0.000 0.492 201 V N 1.800 121.515 119.914 -0.332 0.000 3.102 201 V HA 0.533 4.657 4.120 0.007 0.000 0.312 201 V C -0.623 175.364 176.094 -0.178 0.000 1.135 201 V CA -1.042 61.134 62.300 -0.208 0.000 1.022 201 V CB 2.046 33.787 31.823 -0.137 0.000 1.056 201 V HN 0.646 nan 8.190 nan 0.000 0.436 202 D N 1.421 121.758 120.400 -0.104 0.000 2.389 202 D HA 0.184 4.828 4.640 0.007 0.000 0.247 202 D C 0.823 177.114 176.300 -0.015 0.000 1.128 202 D CA 0.328 54.303 54.000 -0.042 0.000 0.884 202 D CB 1.326 42.148 40.800 0.035 0.000 1.194 202 D HN 0.849 nan 8.370 nan 0.000 0.441 203 D N 3.018 123.409 120.400 -0.015 0.000 2.363 203 D HA -0.108 4.536 4.640 0.007 0.000 0.226 203 D C 1.235 177.520 176.300 -0.026 0.000 1.020 203 D CA 0.162 54.149 54.000 -0.020 0.000 0.892 203 D CB 0.051 40.841 40.800 -0.018 0.000 0.900 203 D HN 0.359 nan 8.370 nan 0.000 0.531 204 L N -1.820 119.398 121.223 -0.008 0.000 2.515 204 L HA 0.346 4.691 4.340 0.007 0.000 0.202 204 L C 1.445 178.185 176.870 -0.217 0.000 1.056 204 L CA 0.778 55.547 54.840 -0.119 0.000 0.847 204 L CB -0.126 41.856 42.059 -0.127 0.000 1.131 204 L HN -0.131 nan 8.230 nan 0.000 0.484 205 F N -0.064 119.862 119.950 -0.040 0.000 2.530 205 F HA 0.377 4.908 4.527 0.007 0.000 0.292 205 F C 1.886 177.661 175.800 -0.042 0.000 1.109 205 F CA 0.776 58.753 58.000 -0.038 0.000 1.450 205 F CB -0.054 38.922 39.000 -0.041 0.000 1.114 205 F HN 0.183 nan 8.300 nan 0.000 0.560 206 G N 0.608 109.477 108.800 0.114 0.000 2.159 206 G HA2 -0.265 3.699 3.960 0.007 0.000 0.256 206 G HA3 -0.265 3.699 3.960 0.007 0.000 0.256 206 G C -0.227 174.686 174.900 0.022 0.000 0.977 206 G CA 0.222 45.343 45.100 0.036 0.000 0.652 206 G HN 0.423 nan 8.290 nan 0.000 0.531 207 D N 0.572 120.993 120.400 0.035 0.000 2.389 207 D HA 0.408 5.053 4.640 0.007 0.000 0.247 207 D C -2.626 173.633 176.300 -0.069 0.000 1.128 207 D CA -1.497 52.492 54.000 -0.018 0.000 0.884 207 D CB 1.141 41.913 40.800 -0.046 0.000 1.194 207 D HN 0.132 nan 8.370 nan 0.000 0.441 208 P HA 0.114 nan 4.420 nan 0.000 0.271 208 P C 0.647 177.848 177.300 -0.165 0.000 1.216 208 P CA -0.342 62.702 63.100 -0.094 0.000 0.771 208 P CB 0.891 32.574 31.700 -0.028 0.000 0.864 209 L N 1.409 122.455 121.223 -0.294 0.000 2.341 209 L HA 0.117 4.461 4.340 0.007 0.000 0.214 209 L C 0.245 176.664 176.870 -0.753 0.000 1.115 209 L CA 0.962 55.446 54.840 -0.594 0.000 0.820 209 L CB -0.171 41.351 42.059 -0.895 0.000 0.944 209 L HN 0.349 nan 8.230 nan 0.000 0.452 210 F N -1.572 118.405 119.950 0.045 0.000 2.640 210 F HA 0.497 5.029 4.527 0.007 0.000 0.324 210 F C -2.289 173.552 175.800 0.069 0.000 1.077 210 F CA -2.948 55.118 58.000 0.111 0.000 0.965 210 F CB 0.034 39.197 39.000 0.273 0.000 1.351 210 F HN -0.386 nan 8.300 nan 0.000 0.487 211 P HA 0.225 nan 4.420 nan 0.000 0.271 211 P C -0.150 177.204 177.300 0.090 0.000 1.216 211 P CA 0.070 63.222 63.100 0.087 0.000 0.771 211 P CB 1.063 32.793 31.700 0.050 0.000 0.864 212 A N 3.221 126.051 122.820 0.017 0.000 1.968 212 A HA 0.050 4.374 4.320 0.007 0.000 0.217 212 A C 0.403 178.090 177.584 0.172 0.000 1.169 212 A CA 1.488 53.617 52.037 0.152 0.000 0.638 212 A CB -0.835 18.314 19.000 0.248 0.000 0.812 212 A HN 0.695 nan 8.150 nan 0.000 0.446 213 Y N -3.599 116.722 120.300 0.034 0.000 2.750 213 Y HA 0.749 5.303 4.550 0.007 0.000 0.335 213 Y C -0.908 174.980 175.900 -0.019 0.000 1.252 213 Y CA -1.982 56.103 58.100 -0.025 0.000 1.064 213 Y CB 0.595 39.037 38.460 -0.030 0.000 1.321 213 Y HN 0.078 nan 8.280 nan 0.000 0.451 214 R N 1.488 122.106 120.500 0.197 0.000 2.564 214 R HA 0.695 5.040 4.340 0.007 0.000 0.284 214 R C -2.332 174.077 176.300 0.182 0.000 1.031 214 R CA -0.547 55.624 56.100 0.119 0.000 0.904 214 R CB 1.370 31.742 30.300 0.120 0.000 1.199 214 R HN 0.851 nan 8.270 nan 0.000 0.443 215 I N 4.667 125.302 120.570 0.109 0.000 2.353 215 I HA 0.339 4.513 4.170 0.007 0.000 0.293 215 I C 0.069 176.152 176.117 -0.056 0.000 0.992 215 I CA -0.642 60.715 61.300 0.094 0.000 1.268 215 I CB 1.138 39.204 38.000 0.110 0.000 1.387 215 I HN 0.488 nan 8.210 nan 0.000 0.478 216 H N 5.701 124.828 119.070 0.095 0.000 2.495 216 H HA 0.346 4.907 4.556 0.007 0.000 0.348 216 H C -0.497 174.870 175.328 0.066 0.000 1.113 216 H CA -0.841 55.257 56.048 0.083 0.000 1.195 216 H CB 2.127 31.945 29.762 0.093 0.000 1.521 216 H HN 0.499 nan 8.280 nan 0.000 0.509 217 R N 2.355 122.948 120.500 0.155 0.000 2.347 217 R HA 0.241 4.585 4.340 0.007 0.000 0.304 217 R C -1.146 175.224 176.300 0.116 0.000 1.072 217 R CA -0.266 55.898 56.100 0.107 0.000 0.980 217 R CB 0.272 30.610 30.300 0.063 0.000 0.986 217 R HN 0.305 nan 8.270 nan 0.000 0.448 218 V N 6.159 126.143 119.914 0.116 0.000 2.320 218 V HA 0.324 4.448 4.120 0.007 0.000 0.268 218 V C 0.992 177.149 176.094 0.105 0.000 1.021 218 V CA 0.100 62.472 62.300 0.120 0.000 0.813 218 V CB 0.345 32.257 31.823 0.147 0.000 1.054 218 V HN 1.203 nan 8.190 nan 0.000 0.444 219 G N 6.594 115.423 108.800 0.048 0.000 2.622 219 G HA2 -0.239 3.726 3.960 0.007 0.000 0.307 219 G HA3 -0.239 3.726 3.960 0.007 0.000 0.307 219 G C -0.759 174.099 174.900 -0.070 0.000 1.226 219 G CA 0.527 45.621 45.100 -0.009 0.000 0.997 219 G HN 0.557 nan 8.290 nan 0.000 0.551 220 P HA 0.195 nan 4.420 nan 0.000 0.241 220 P C -0.002 177.085 177.300 -0.354 0.000 1.191 220 P CA 0.896 63.800 63.100 -0.326 0.000 0.771 220 P CB 0.084 31.476 31.700 -0.513 0.000 0.929 221 Y N 0.726 121.032 120.300 0.011 0.000 2.519 221 Y HA 0.605 5.159 4.550 0.006 0.000 0.324 221 Y C 0.692 176.595 175.900 0.006 0.000 1.214 221 Y CA -1.564 56.536 58.100 0.000 0.000 1.260 221 Y CB 0.796 39.258 38.460 0.002 0.000 1.311 221 Y HN -0.171 nan 8.280 nan 0.000 0.505 222 A N 1.727 124.661 122.820 0.190 0.000 2.343 222 A HA 0.682 5.007 4.320 0.007 0.000 0.308 222 A C -1.960 175.669 177.584 0.075 0.000 1.092 222 A CA -0.590 51.511 52.037 0.107 0.000 0.751 222 A CB 0.858 19.896 19.000 0.063 0.000 1.203 222 A HN 0.636 nan 8.150 nan 0.000 0.452 223 L N 2.744 124.024 121.223 0.095 0.000 2.325 223 L HA 0.795 5.139 4.340 0.007 0.000 0.281 223 L C 0.128 177.056 176.870 0.097 0.000 1.004 223 L CA -0.077 54.802 54.840 0.065 0.000 0.823 223 L CB 1.476 43.576 42.059 0.069 0.000 1.236 223 L HN 0.851 nan 8.230 nan 0.000 0.415 224 A N 4.923 127.758 122.820 0.026 0.000 2.301 224 A HA 0.713 5.037 4.320 0.007 0.000 0.312 224 A C -0.903 176.695 177.584 0.024 0.000 1.182 224 A CA -0.503 51.553 52.037 0.032 0.000 0.826 224 A CB 0.985 19.909 19.000 -0.126 0.000 1.134 224 A HN 0.517 nan 8.150 nan 0.000 0.501 225 V N 4.021 123.977 119.914 0.069 0.000 2.357 225 V HA 0.334 4.458 4.120 0.007 0.000 0.284 225 V C -0.118 175.958 176.094 -0.029 0.000 1.018 225 V CA -0.403 61.877 62.300 -0.033 0.000 0.841 225 V CB 1.158 32.908 31.823 -0.122 0.000 0.991 225 V HN 0.648 nan 8.190 nan 0.000 0.437 226 V N 3.836 123.733 119.914 -0.028 0.000 2.532 226 V HA 0.789 4.913 4.120 0.007 0.000 0.295 226 V C 0.783 176.875 176.094 -0.004 0.000 1.041 226 V CA -0.286 62.032 62.300 0.030 0.000 0.926 226 V CB 1.840 33.653 31.823 -0.018 0.000 0.992 226 V HN 0.906 nan 8.190 nan 0.000 0.457 227 G N 1.933 110.760 108.800 0.045 0.000 2.416 227 G HA2 0.732 4.696 3.960 0.007 0.000 0.329 227 G HA3 0.732 4.696 3.960 0.007 0.000 0.329 227 G C -0.861 174.140 174.900 0.170 0.000 1.173 227 G CA -0.393 44.721 45.100 0.023 0.000 0.929 227 G HN 1.164 nan 8.290 nan 0.000 0.475 228 A N 1.428 124.336 122.820 0.146 0.000 2.375 228 A HA 0.773 5.098 4.320 0.007 0.000 0.295 228 A C -0.033 177.646 177.584 0.159 0.000 1.066 228 A CA -0.476 51.709 52.037 0.247 0.000 0.722 228 A CB 1.565 20.755 19.000 0.316 0.000 1.206 228 A HN 0.717 nan 8.150 nan 0.000 0.435 229 S N 0.472 116.245 115.700 0.122 0.000 2.672 229 S HA 0.489 4.964 4.470 0.007 0.000 0.276 229 S C -0.384 174.345 174.600 0.215 0.000 1.207 229 S CA -0.258 58.065 58.200 0.205 0.000 1.002 229 S CB 0.433 63.815 63.200 0.302 0.000 0.998 229 S HN 0.641 nan 8.310 nan 0.000 0.542 230 Y N 4.655 124.995 120.300 0.068 0.000 2.802 230 Y HA 0.101 4.656 4.550 0.007 0.000 0.333 230 Y C -1.597 174.181 175.900 -0.203 0.000 1.244 230 Y CA -1.551 56.461 58.100 -0.147 0.000 1.558 230 Y CB 0.582 38.772 38.460 -0.449 0.000 1.233 230 Y HN 0.426 nan 8.280 nan 0.000 0.547 231 P HA -0.071 nan 4.420 nan 0.000 0.241 231 P C -0.422 176.282 177.300 -0.994 0.000 1.191 231 P CA 1.197 63.815 63.100 -0.803 0.000 0.771 231 P CB 0.131 31.270 31.700 -0.935 0.000 0.929 232 Y N -1.320 118.397 120.300 -0.971 0.000 2.708 232 Y HA 0.152 4.706 4.550 0.007 0.000 0.287 232 Y C 2.032 177.704 175.900 -0.380 0.000 1.145 232 Y CA -0.579 57.137 58.100 -0.640 0.000 1.249 232 Y CB -0.786 37.319 38.460 -0.591 0.000 1.152 232 Y HN -0.307 nan 8.280 nan 0.000 0.532 233 V N 0.188 119.899 119.914 -0.338 0.000 2.392 233 V HA -0.345 3.780 4.120 0.007 0.000 0.249 233 V C 2.463 178.500 176.094 -0.095 0.000 1.059 233 V CA 2.218 64.402 62.300 -0.194 0.000 1.051 233 V CB -0.264 31.019 31.823 -0.900 0.000 0.658 233 V HN 0.376 nan 8.190 nan 0.000 0.455 234 K N 0.333 120.634 120.400 -0.166 0.000 2.057 234 K HA -0.150 4.174 4.320 0.007 0.000 0.207 234 K C 1.894 178.468 176.600 -0.042 0.000 1.049 234 K CA 1.860 58.103 56.287 -0.072 0.000 0.931 234 K CB -0.119 32.354 32.500 -0.044 0.000 0.714 234 K HN 0.528 nan 8.250 nan 0.000 0.440 235 V N -2.664 117.229 119.914 -0.034 0.000 3.406 235 V HA 0.083 4.207 4.120 0.007 0.000 0.263 235 V C 1.274 177.324 176.094 -0.072 0.000 1.172 235 V CA 1.204 63.477 62.300 -0.046 0.000 1.140 235 V CB 0.652 32.453 31.823 -0.037 0.000 0.784 235 V HN 0.102 nan 8.190 nan 0.000 0.467 236 S N -0.477 115.158 115.700 -0.108 0.000 2.517 236 S HA 0.293 4.768 4.470 0.007 0.000 0.214 236 S C 0.393 174.578 174.600 -0.692 0.000 0.991 236 S CA -0.044 57.966 58.200 -0.317 0.000 0.906 236 S CB -0.158 62.886 63.200 -0.260 0.000 0.789 236 S HN 0.816 nan 8.310 nan 0.000 0.513 237 H N -0.353 118.723 119.070 0.009 0.000 2.990 237 H HA 0.335 4.895 4.556 0.007 0.000 0.343 237 H C -3.151 172.058 175.328 -0.198 0.000 1.270 237 H CA -2.227 53.778 56.048 -0.071 0.000 1.118 237 H CB 0.159 29.955 29.762 0.057 0.000 1.861 237 H HN -0.166 nan 8.280 nan 0.000 0.544 238 P HA -0.038 nan 4.420 nan 0.000 0.260 238 P C 0.403 177.514 177.300 -0.315 0.000 1.172 238 P CA 0.573 63.381 63.100 -0.486 0.000 0.760 238 P CB 0.730 31.826 31.700 -1.006 0.000 0.773 239 E N 1.635 121.716 120.200 -0.199 0.000 2.171 239 E HA -0.215 4.139 4.350 0.007 0.000 0.197 239 E C 1.879 178.436 176.600 -0.073 0.000 0.997 239 E CA 1.970 58.310 56.400 -0.100 0.000 0.810 239 E CB -0.465 29.185 29.700 -0.084 0.000 0.738 239 E HN 0.530 nan 8.360 nan 0.000 0.467 240 S N -0.027 115.579 115.700 -0.157 0.000 2.442 240 S HA -0.152 4.322 4.470 0.007 0.000 0.236 240 S C 1.674 176.326 174.600 0.086 0.000 1.007 240 S CA 0.621 58.776 58.200 -0.074 0.000 0.965 240 S CB -0.408 62.713 63.200 -0.131 0.000 0.773 240 S HN 0.125 nan 8.310 nan 0.000 0.504 241 F N 3.248 123.241 119.950 0.073 0.000 2.234 241 F HA 0.084 4.616 4.527 0.007 0.000 0.299 241 F C 2.375 178.284 175.800 0.181 0.000 1.087 241 F CA 1.093 59.175 58.000 0.136 0.000 1.340 241 F CB -1.108 37.972 39.000 0.134 0.000 1.031 241 F HN 0.476 nan 8.300 nan 0.000 0.500 242 T N -3.259 111.469 114.554 0.290 0.000 3.296 242 T HA 0.156 4.510 4.350 0.007 0.000 0.285 242 T C 0.199 174.971 174.700 0.121 0.000 1.014 242 T CA -0.366 61.849 62.100 0.192 0.000 0.920 242 T CB -0.132 68.796 68.868 0.100 0.000 1.143 242 T HN -0.211 nan 8.240 nan 0.000 0.522 243 E N 1.643 121.912 120.200 0.115 0.000 2.480 243 E HA 0.342 4.696 4.350 0.007 0.000 0.258 243 E C 1.450 178.087 176.600 0.061 0.000 0.984 243 E CA 1.486 57.928 56.400 0.070 0.000 0.930 243 E CB 0.554 30.292 29.700 0.064 0.000 0.936 243 E HN 0.708 nan 8.360 nan 0.000 0.466 244 G N 2.732 111.554 108.800 0.036 0.000 2.213 244 G HA2 -0.255 3.709 3.960 0.007 0.000 0.236 244 G HA3 -0.255 3.709 3.960 0.007 0.000 0.236 244 G C 0.190 175.086 174.900 -0.007 0.000 0.991 244 G CA 0.141 45.254 45.100 0.022 0.000 0.629 244 G HN 0.379 nan 8.290 nan 0.000 0.517 245 L N 0.739 121.957 121.223 -0.009 0.000 2.330 245 L HA 0.811 5.155 4.340 0.007 0.000 0.271 245 L C 0.279 177.140 176.870 -0.015 0.000 1.013 245 L CA -0.768 54.027 54.840 -0.074 0.000 0.816 245 L CB 2.125 44.095 42.059 -0.148 0.000 1.287 245 L HN 0.167 nan 8.230 nan 0.000 0.435 246 S N 0.321 115.959 115.700 -0.104 0.000 2.500 246 S HA 0.604 5.079 4.470 0.007 0.000 0.301 246 S C -0.343 174.172 174.600 -0.141 0.000 1.092 246 S CA -0.401 57.781 58.200 -0.030 0.000 1.030 246 S CB 0.877 64.041 63.200 -0.060 0.000 1.031 246 S HN 0.492 nan 8.310 nan 0.000 0.483 247 F N 2.174 121.999 119.950 -0.208 0.000 2.746 247 F HA 0.438 4.969 4.527 0.007 0.000 0.320 247 F C 1.369 177.001 175.800 -0.280 0.000 1.097 247 F CA -0.324 57.522 58.000 -0.258 0.000 1.195 247 F CB 0.339 39.170 39.000 -0.282 0.000 1.056 247 F HN 0.737 nan 8.300 nan 0.000 0.562 248 A N 1.494 124.280 122.820 -0.056 0.000 2.603 248 A HA 0.043 4.367 4.320 0.007 0.000 0.235 248 A C -0.089 177.418 177.584 -0.129 0.000 1.035 248 A CA -0.187 51.791 52.037 -0.098 0.000 0.755 248 A CB -0.170 18.805 19.000 -0.043 0.000 0.954 248 A HN 0.351 nan 8.150 nan 0.000 0.511 249 L N 2.197 123.341 121.223 -0.131 0.000 2.477 249 L HA 0.278 4.622 4.340 0.007 0.000 0.272 249 L C -0.203 176.698 176.870 0.051 0.000 1.157 249 L CA 0.509 55.326 54.840 -0.038 0.000 0.889 249 L CB 0.401 42.423 42.059 -0.061 0.000 1.158 249 L HN 0.643 nan 8.230 nan 0.000 0.473 250 D N 3.954 124.453 120.400 0.166 0.000 2.420 250 D HA 0.155 4.799 4.640 0.007 0.000 0.255 250 D C 0.588 176.999 176.300 0.185 0.000 1.185 250 D CA -0.205 53.893 54.000 0.164 0.000 0.904 250 D CB 0.927 41.820 40.800 0.155 0.000 1.102 250 D HN 0.732 nan 8.370 nan 0.000 0.534 251 E N 1.915 122.168 120.200 0.088 0.000 2.110 251 E HA -0.163 4.191 4.350 0.007 0.000 0.193 251 E C 1.762 178.367 176.600 0.008 0.000 0.988 251 E CA 0.560 56.976 56.400 0.027 0.000 0.804 251 E CB 0.445 30.155 29.700 0.017 0.000 0.745 251 E HN 0.356 nan 8.360 nan 0.000 0.458 252 R N 1.093 121.614 120.500 0.034 0.000 2.083 252 R HA -0.125 4.219 4.340 0.007 0.000 0.237 252 R C 2.364 178.680 176.300 0.028 0.000 1.137 252 R CA 1.327 57.442 56.100 0.025 0.000 0.951 252 R CB -0.068 30.253 30.300 0.034 0.000 0.851 252 R HN 0.022 nan 8.270 nan 0.000 0.434 253 R N 0.351 120.896 120.500 0.075 0.000 2.148 253 R HA -0.111 4.234 4.340 0.007 0.000 0.223 253 R C 2.244 178.568 176.300 0.041 0.000 1.088 253 R CA 0.770 56.938 56.100 0.114 0.000 0.985 253 R CB -0.144 30.281 30.300 0.209 0.000 0.880 253 R HN 0.173 nan 8.270 nan 0.000 0.451 254 L N 1.072 122.225 121.223 -0.116 0.000 2.027 254 L HA -0.146 4.198 4.340 0.007 0.000 0.206 254 L C 2.233 178.947 176.870 -0.260 0.000 1.074 254 L CA 1.893 56.428 54.840 -0.508 0.000 0.745 254 L CB -0.776 40.933 42.059 -0.584 0.000 0.898 254 L HN 0.076 nan 8.230 nan 0.000 0.433 255 Q N 0.163 119.875 119.800 -0.146 0.000 2.084 255 Q HA -0.265 4.079 4.340 0.007 0.000 0.202 255 Q C 2.220 178.172 176.000 -0.080 0.000 0.978 255 Q CA 2.226 57.966 55.803 -0.105 0.000 0.844 255 Q CB -0.382 28.316 28.738 -0.066 0.000 0.898 255 Q HN 0.713 nan 8.270 nan 0.000 0.426 256 E N -0.858 119.315 120.200 -0.045 0.000 2.085 256 E HA -0.219 4.135 4.350 0.007 0.000 0.194 256 E C 1.695 178.291 176.600 -0.008 0.000 0.994 256 E CA 1.216 57.608 56.400 -0.013 0.000 0.801 256 E CB -0.294 29.417 29.700 0.020 0.000 0.743 256 E HN 0.421 nan 8.360 nan 0.000 0.453 257 A N 0.683 123.498 122.820 -0.008 0.000 1.930 257 A HA -0.073 4.251 4.320 0.007 0.000 0.217 257 A C 2.392 179.899 177.584 -0.129 0.000 1.175 257 A CA 1.278 53.339 52.037 0.040 0.000 0.627 257 A CB -0.458 18.602 19.000 0.100 0.000 0.815 257 A HN 0.232 nan 8.150 nan 0.000 0.443 258 V N 0.493 120.306 119.914 -0.169 0.000 2.379 258 V HA -0.195 3.929 4.120 0.007 0.000 0.245 258 V C 2.071 178.048 176.094 -0.196 0.000 1.044 258 V CA 2.145 64.313 62.300 -0.219 0.000 1.036 258 V CB -0.727 30.988 31.823 -0.180 0.000 0.664 258 V HN 0.466 nan 8.190 nan 0.000 0.453 259 D N -0.132 120.191 120.400 -0.129 0.000 2.178 259 D HA -0.166 4.478 4.640 0.007 0.000 0.201 259 D C 2.162 178.406 176.300 -0.094 0.000 0.980 259 D CA 1.198 55.140 54.000 -0.098 0.000 0.842 259 D CB -0.100 40.664 40.800 -0.060 0.000 0.948 259 D HN 0.394 nan 8.370 nan 0.000 0.472 260 K N 0.433 120.783 120.400 -0.084 0.000 2.103 260 K HA 0.008 4.332 4.320 0.007 0.000 0.204 260 K C 1.996 178.531 176.600 -0.108 0.000 1.052 260 K CA 0.858 57.128 56.287 -0.029 0.000 0.945 260 K CB 0.079 32.639 32.500 0.100 0.000 0.722 260 K HN -0.017 nan 8.250 nan 0.000 0.443 261 A N 1.445 124.019 122.820 -0.410 0.000 1.933 261 A HA -0.158 4.166 4.320 0.007 0.000 0.218 261 A C 2.082 179.511 177.584 -0.258 0.000 1.175 261 A CA 1.314 52.980 52.037 -0.619 0.000 0.628 261 A CB -0.389 17.983 19.000 -1.047 0.000 0.814 261 A HN 0.281 nan 8.150 nan 0.000 0.444 262 R N -0.802 119.572 120.500 -0.210 0.000 2.066 262 R HA -0.019 4.325 4.340 0.007 0.000 0.232 262 R C 2.495 178.742 176.300 -0.087 0.000 1.131 262 R CA 1.126 57.142 56.100 -0.139 0.000 0.955 262 R CB -0.423 29.796 30.300 -0.136 0.000 0.851 262 R HN 0.495 nan 8.270 nan 0.000 0.432 263 A N 1.152 123.931 122.820 -0.069 0.000 2.024 263 A HA -0.174 4.150 4.320 0.007 0.000 0.220 263 A C 1.586 179.161 177.584 -0.016 0.000 1.164 263 A CA 1.320 53.336 52.037 -0.035 0.000 0.643 263 A CB -0.262 18.726 19.000 -0.021 0.000 0.806 263 A HN 0.321 nan 8.150 nan 0.000 0.451 264 E N -1.695 118.499 120.200 -0.009 0.000 2.502 264 E HA 0.220 4.575 4.350 0.007 0.000 0.194 264 E C 1.087 177.693 176.600 0.009 0.000 1.062 264 E CA 0.323 56.736 56.400 0.021 0.000 0.867 264 E CB -0.087 29.661 29.700 0.079 0.000 0.888 264 E HN 0.756 nan 8.360 nan 0.000 0.510 265 G N 0.869 109.659 108.800 -0.016 0.000 2.192 265 G HA2 -0.233 3.731 3.960 0.007 0.000 0.193 265 G HA3 -0.233 3.731 3.960 0.007 0.000 0.193 265 G C 0.367 175.253 174.900 -0.024 0.000 0.999 265 G CA -0.186 44.905 45.100 -0.014 0.000 0.659 265 G HN 0.392 nan 8.290 nan 0.000 0.503 266 A N 0.127 122.916 122.820 -0.052 0.000 2.492 266 A HA 0.606 4.930 4.320 0.007 0.000 0.254 266 A C 1.013 178.538 177.584 -0.098 0.000 1.091 266 A CA 1.141 53.137 52.037 -0.069 0.000 0.768 266 A CB -0.008 18.919 19.000 -0.122 0.000 1.028 266 A HN 0.482 nan 8.150 nan 0.000 0.498 267 N N 1.187 119.834 118.700 -0.089 0.000 2.336 267 N HA 0.280 5.024 4.740 0.007 0.000 0.177 267 N C 0.379 175.738 175.510 -0.251 0.000 1.018 267 N CA 1.020 53.962 53.050 -0.180 0.000 0.878 267 N CB 0.180 38.581 38.487 -0.143 0.000 0.997 267 N HN 0.768 nan 8.380 nan 0.000 0.433 268 A N 0.277 122.992 122.820 -0.173 0.000 2.401 268 A HA 0.687 5.011 4.320 0.007 0.000 0.310 268 A C -1.190 176.329 177.584 -0.108 0.000 1.075 268 A CA -0.492 51.453 52.037 -0.153 0.000 0.746 268 A CB 1.514 20.438 19.000 -0.126 0.000 1.277 268 A HN -0.094 nan 8.150 nan 0.000 0.425 269 V N 2.127 121.979 119.914 -0.103 0.000 2.487 269 V HA 0.503 4.627 4.120 0.007 0.000 0.298 269 V C -0.586 175.463 176.094 -0.075 0.000 1.028 269 V CA -0.482 61.755 62.300 -0.104 0.000 0.860 269 V CB 1.593 33.331 31.823 -0.142 0.000 0.991 269 V HN 0.687 nan 8.190 nan 0.000 0.427 270 V N 5.871 125.744 119.914 -0.068 0.000 2.495 270 V HA 0.477 4.602 4.120 0.007 0.000 0.298 270 V C -0.450 175.595 176.094 -0.081 0.000 1.031 270 V CA -0.680 61.580 62.300 -0.066 0.000 0.871 270 V CB 1.818 33.602 31.823 -0.065 0.000 0.988 270 V HN 0.664 nan 8.190 nan 0.000 0.432 271 L N 6.037 127.211 121.223 -0.082 0.000 2.262 271 L HA 0.554 4.898 4.340 0.007 0.000 0.288 271 L C -0.577 176.241 176.870 -0.088 0.000 1.035 271 L CA -0.278 54.516 54.840 -0.076 0.000 0.820 271 L CB 1.157 43.175 42.059 -0.068 0.000 1.204 271 L HN 0.637 nan 8.230 nan 0.000 0.424 272 L N 5.047 126.219 121.223 -0.086 0.000 2.312 272 L HA 0.483 4.827 4.340 0.007 0.000 0.287 272 L C -0.072 176.791 176.870 -0.011 0.000 1.091 272 L CA 0.683 55.465 54.840 -0.097 0.000 0.846 272 L CB 0.476 42.474 42.059 -0.101 0.000 1.219 272 L HN 0.718 nan 8.230 nan 0.000 0.439 273 S N 3.279 118.995 115.700 0.026 0.000 2.537 273 S HA 0.451 4.926 4.470 0.007 0.000 0.301 273 S C -0.201 174.510 174.600 0.185 0.000 1.092 273 S CA -0.405 57.858 58.200 0.105 0.000 1.048 273 S CB 0.774 64.026 63.200 0.086 0.000 1.053 273 S HN 0.803 nan 8.310 nan 0.000 0.501 274 H N 2.656 121.818 119.070 0.153 0.000 2.651 274 H HA 0.470 5.030 4.556 0.007 0.000 0.241 274 H C 0.667 176.125 175.328 0.217 0.000 1.225 274 H CA -0.240 55.937 56.048 0.215 0.000 0.942 274 H CB 0.001 29.891 29.762 0.214 0.000 1.996 274 H HN 0.513 nan 8.280 nan 0.000 0.600 275 N N 0.512 119.358 118.700 0.243 0.000 2.333 275 N HA 0.102 4.847 4.740 0.007 0.000 0.178 275 N C 0.503 176.182 175.510 0.282 0.000 1.018 275 N CA 1.319 54.491 53.050 0.205 0.000 0.882 275 N CB 0.603 39.172 38.487 0.136 0.000 0.984 275 N HN 0.574 nan 8.380 nan 0.000 0.434 276 G N 0.360 109.335 108.800 0.292 0.000 2.885 276 G HA2 -0.167 3.797 3.960 0.007 0.000 0.685 276 G HA3 -0.167 3.797 3.960 0.007 0.000 0.685 276 G C 0.477 175.530 174.900 0.257 0.000 1.216 276 G CA -0.036 45.292 45.100 0.380 0.000 0.790 276 G HN 0.106 nan 8.290 nan 0.000 0.631 277 M N 0.678 120.418 119.600 0.233 0.000 2.149 277 M HA -0.140 4.344 4.480 0.007 0.000 0.261 277 M C 2.562 179.030 176.300 0.280 0.000 1.064 277 M CA 2.202 57.652 55.300 0.251 0.000 1.102 277 M CB -0.127 32.640 32.600 0.278 0.000 1.369 277 M HN 0.654 nan 8.290 nan 0.000 0.408 278 Q N -0.117 119.842 119.800 0.265 0.000 2.119 278 Q HA -0.129 4.215 4.340 0.007 0.000 0.201 278 Q C 2.032 178.142 176.000 0.183 0.000 0.972 278 Q CA 1.161 57.132 55.803 0.280 0.000 0.847 278 Q CB -0.754 28.155 28.738 0.285 0.000 0.903 278 Q HN 0.470 nan 8.270 nan 0.000 0.433 279 L N 1.598 122.925 121.223 0.173 0.000 2.056 279 L HA -0.123 4.222 4.340 0.007 0.000 0.207 279 L C 1.427 178.334 176.870 0.062 0.000 1.078 279 L CA 1.869 56.778 54.840 0.116 0.000 0.749 279 L CB -0.707 41.448 42.059 0.160 0.000 0.901 279 L HN 0.012 nan 8.230 nan 0.000 0.433 280 D N 0.003 120.452 120.400 0.082 0.000 2.123 280 D HA -0.173 4.471 4.640 0.007 0.000 0.196 280 D C 2.188 178.459 176.300 -0.049 0.000 0.992 280 D CA 1.586 55.604 54.000 0.029 0.000 0.833 280 D CB -0.149 40.688 40.800 0.062 0.000 0.954 280 D HN 0.487 nan 8.370 nan 0.000 0.455 281 A N 0.978 123.757 122.820 -0.068 0.000 1.902 281 A HA -0.051 4.273 4.320 0.007 0.000 0.217 281 A C 2.325 179.814 177.584 -0.159 0.000 1.181 281 A CA 2.233 54.125 52.037 -0.241 0.000 0.623 281 A CB -0.692 18.085 19.000 -0.371 0.000 0.818 281 A HN 0.239 nan 8.150 nan 0.000 0.443 282 A N -0.145 122.630 122.820 -0.075 0.000 1.877 282 A HA -0.063 4.261 4.320 0.007 0.000 0.216 282 A C 2.150 179.678 177.584 -0.093 0.000 1.186 282 A CA 1.525 53.510 52.037 -0.086 0.000 0.620 282 A CB -0.662 18.268 19.000 -0.117 0.000 0.822 282 A HN 0.476 nan 8.150 nan 0.000 0.443 283 L N -0.701 120.472 121.223 -0.083 0.000 2.127 283 L HA -0.208 4.136 4.340 0.007 0.000 0.211 283 L C 2.997 179.813 176.870 -0.091 0.000 1.089 283 L CA 0.964 55.758 54.840 -0.078 0.000 0.757 283 L CB -0.523 41.497 42.059 -0.064 0.000 0.899 283 L HN 0.440 nan 8.230 nan 0.000 0.434 284 A N -0.391 122.360 122.820 -0.116 0.000 2.070 284 A HA -0.194 4.130 4.320 0.007 0.000 0.220 284 A C 2.067 179.578 177.584 -0.121 0.000 1.159 284 A CA 1.513 53.469 52.037 -0.136 0.000 0.656 284 A CB -0.314 18.569 19.000 -0.196 0.000 0.800 284 A HN 0.489 nan 8.150 nan 0.000 0.453 285 E N -1.443 118.695 120.200 -0.102 0.000 2.472 285 E HA 0.076 4.430 4.350 0.007 0.000 0.196 285 E C 1.725 178.301 176.600 -0.041 0.000 1.033 285 E CA -0.048 56.309 56.400 -0.072 0.000 0.886 285 E CB 0.230 29.898 29.700 -0.053 0.000 0.944 285 E HN 0.519 nan 8.360 nan 0.000 0.492 286 R N -0.148 120.326 120.500 -0.044 0.000 2.342 286 R HA 0.205 4.549 4.340 0.007 0.000 0.204 286 R C 0.294 176.571 176.300 -0.038 0.000 0.882 286 R CA 0.075 56.161 56.100 -0.022 0.000 1.041 286 R CB 1.101 31.396 30.300 -0.010 0.000 1.188 286 R HN -0.003 nan 8.270 nan 0.000 0.598 287 I N 3.607 124.140 120.570 -0.061 0.000 2.359 287 I HA 0.217 4.392 4.170 0.007 0.000 0.294 287 I C 0.327 176.398 176.117 -0.077 0.000 0.987 287 I CA -0.688 60.568 61.300 -0.074 0.000 1.225 287 I CB 1.310 39.250 38.000 -0.099 0.000 1.366 287 I HN 0.089 nan 8.210 nan 0.000 0.466 288 R N 3.664 124.121 120.500 -0.072 0.000 2.428 288 R HA 0.690 5.035 4.340 0.007 0.000 0.294 288 R C 0.491 176.741 176.300 -0.084 0.000 1.000 288 R CA 0.052 56.110 56.100 -0.070 0.000 0.960 288 R CB 1.267 31.534 30.300 -0.055 0.000 1.076 288 R HN 0.839 nan 8.270 nan 0.000 0.475 289 G N 2.323 111.073 108.800 -0.083 0.000 2.179 289 G HA2 -0.206 3.758 3.960 0.007 0.000 0.220 289 G HA3 -0.206 3.758 3.960 0.007 0.000 0.220 289 G C 0.014 174.852 174.900 -0.103 0.000 0.990 289 G CA -0.109 44.933 45.100 -0.097 0.000 0.646 289 G HN 0.563 nan 8.290 nan 0.000 0.517 290 I N 2.010 122.522 120.570 -0.097 0.000 2.312 290 I HA 0.274 4.449 4.170 0.007 0.000 0.291 290 I C 0.568 176.646 176.117 -0.065 0.000 1.031 290 I CA -0.637 60.608 61.300 -0.091 0.000 1.293 290 I CB 1.040 38.982 38.000 -0.097 0.000 1.403 290 I HN -0.045 nan 8.210 nan 0.000 0.484 291 D N 5.358 125.734 120.400 -0.040 0.000 2.240 291 D HA 0.114 4.758 4.640 0.007 0.000 0.206 291 D C 0.131 176.479 176.300 0.080 0.000 0.963 291 D CA 0.943 54.953 54.000 0.017 0.000 0.863 291 D CB 0.765 41.582 40.800 0.027 0.000 0.973 291 D HN 0.249 nan 8.370 nan 0.000 0.501 292 L N 0.317 121.566 121.223 0.044 0.000 2.513 292 L HA 0.431 4.775 4.340 0.007 0.000 0.261 292 L C -1.950 174.923 176.870 0.004 0.000 0.945 292 L CA -0.569 54.317 54.840 0.077 0.000 0.848 292 L CB 2.479 44.585 42.059 0.079 0.000 1.334 292 L HN -0.243 nan 8.230 nan 0.000 0.407 293 I N 5.261 125.839 120.570 0.013 0.000 2.436 293 I HA 0.396 4.570 4.170 0.007 0.000 0.289 293 I C -0.876 175.212 176.117 -0.049 0.000 1.010 293 I CA -0.573 60.710 61.300 -0.027 0.000 1.098 293 I CB 1.910 39.903 38.000 -0.011 0.000 1.266 293 I HN 0.453 nan 8.210 nan 0.000 0.434 294 L N 5.372 126.491 121.223 -0.173 0.000 2.270 294 L HA 0.307 4.651 4.340 0.007 0.000 0.286 294 L C 0.371 177.178 176.870 -0.104 0.000 1.059 294 L CA -0.136 54.471 54.840 -0.389 0.000 0.839 294 L CB 1.111 42.529 42.059 -1.068 0.000 1.221 294 L HN 0.550 nan 8.230 nan 0.000 0.431 295 S N 2.187 117.956 115.700 0.114 0.000 2.416 295 S HA 0.543 5.018 4.470 0.007 0.000 0.287 295 S C 0.473 175.219 174.600 0.244 0.000 1.139 295 S CA -0.484 57.825 58.200 0.182 0.000 1.058 295 S CB 0.507 63.824 63.200 0.194 0.000 0.967 295 S HN 0.698 nan 8.310 nan 0.000 0.495 296 G N 2.194 111.100 108.800 0.178 0.000 2.606 296 G HA2 0.449 4.413 3.960 0.007 0.000 0.262 296 G HA3 0.449 4.413 3.960 0.007 0.000 0.262 296 G C 0.211 175.080 174.900 -0.053 0.000 1.394 296 G CA 0.365 45.503 45.100 0.062 0.000 1.044 296 G HN 1.029 nan 8.290 nan 0.000 0.553 297 H N -2.278 116.539 119.070 -0.423 0.000 4.923 297 H HA -0.334 4.226 4.556 0.007 0.000 0.073 297 H C 1.921 177.352 175.328 0.172 0.000 0.574 297 H CA 3.726 59.629 56.048 -0.243 0.000 1.046 297 H CB -1.522 28.055 29.762 -0.308 0.000 0.465 297 H HN 0.740 nan 8.280 nan 0.000 0.757 298 T N -1.771 112.809 114.554 0.043 0.000 3.148 298 T HA 0.064 4.419 4.350 0.007 0.000 0.253 298 T C 0.654 175.430 174.700 0.127 0.000 1.134 298 T CA 0.794 62.887 62.100 -0.011 0.000 1.051 298 T CB -0.437 68.458 68.868 0.045 0.000 0.959 298 T HN 0.823 nan 8.240 nan 0.000 0.525 299 H N 0.941 120.013 119.070 0.003 0.000 2.820 299 H HA -0.111 4.450 4.556 0.007 0.000 0.295 299 H C -0.701 174.651 175.328 0.039 0.000 1.187 299 H CA 0.177 56.247 56.048 0.037 0.000 1.144 299 H CB -1.450 28.367 29.762 0.091 0.000 1.354 299 H HN 0.510 nan 8.280 nan 0.000 0.395 300 D N 0.648 121.126 120.400 0.131 0.000 2.383 300 D HA 0.458 5.102 4.640 0.007 0.000 0.248 300 D C 0.694 177.024 176.300 0.050 0.000 1.170 300 D CA -0.159 53.888 54.000 0.080 0.000 0.977 300 D CB 1.479 42.322 40.800 0.072 0.000 1.120 300 D HN 0.128 nan 8.370 nan 0.000 0.481 301 L N 0.316 121.550 121.223 0.017 0.000 2.409 301 L HA 0.312 4.656 4.340 0.007 0.000 0.272 301 L C -0.325 176.481 176.870 -0.108 0.000 0.980 301 L CA -0.488 54.327 54.840 -0.040 0.000 0.826 301 L CB 2.137 44.157 42.059 -0.065 0.000 1.268 301 L HN 0.389 nan 8.230 nan 0.000 0.407 302 T N -0.726 113.756 114.554 -0.121 0.000 3.064 302 T HA 0.338 4.692 4.350 0.007 0.000 0.367 302 T C -2.362 172.166 174.700 -0.286 0.000 1.202 302 T CA -1.705 60.286 62.100 -0.181 0.000 1.133 302 T CB 1.311 70.255 68.868 0.127 0.000 1.074 302 T HN 0.198 nan 8.240 nan 0.000 0.519 303 P HA 0.017 nan 4.420 nan 0.000 0.222 303 P C 0.360 177.593 177.300 -0.111 0.000 1.147 303 P CA 0.798 63.685 63.100 -0.354 0.000 0.790 303 P CB 0.273 31.715 31.700 -0.431 0.000 0.780 304 R N -0.757 119.768 120.500 0.042 0.000 2.750 304 R HA 0.399 4.743 4.340 0.007 0.000 0.281 304 R C -2.637 173.835 176.300 0.287 0.000 0.972 304 R CA -2.331 53.887 56.100 0.197 0.000 0.912 304 R CB 1.643 32.145 30.300 0.337 0.000 1.187 304 R HN -0.081 nan 8.270 nan 0.000 0.464 305 P HA -0.018 nan 4.420 nan 0.000 0.275 305 P C -0.992 176.711 177.300 0.671 0.000 1.228 305 P CA -0.302 63.018 63.100 0.367 0.000 0.786 305 P CB 0.668 32.474 31.700 0.177 0.000 0.927 306 W N 4.825 126.384 121.300 0.432 0.000 2.332 306 W HA 0.353 5.016 4.660 0.006 0.000 0.306 306 W C -0.051 176.652 176.519 0.308 0.000 1.149 306 W CA -1.232 56.334 57.345 0.368 0.000 1.271 306 W CB 0.075 29.696 29.460 0.267 0.000 1.243 306 W HN 0.272 nan 8.180 nan 0.000 0.459 307 R N 4.699 125.420 120.500 0.368 0.000 2.216 307 R HA 0.493 4.837 4.340 0.007 0.000 0.332 307 R C -1.630 174.473 176.300 -0.328 0.000 1.056 307 R CA -0.023 55.927 56.100 -0.250 0.000 0.901 307 R CB 0.351 30.368 30.300 -0.471 0.000 1.039 307 R HN 0.226 nan 8.270 nan 0.000 0.456 308 V N 5.751 125.387 119.914 -0.462 0.000 2.525 308 V HA 0.609 4.733 4.120 0.007 0.000 0.299 308 V C 0.974 176.877 176.094 -0.318 0.000 1.034 308 V CA 0.033 62.069 62.300 -0.440 0.000 0.863 308 V CB 0.995 32.425 31.823 -0.656 0.000 0.999 308 V HN 1.046 nan 8.190 nan 0.000 0.423 309 G N 5.491 114.153 108.800 -0.229 0.000 2.591 309 G HA2 -0.251 3.713 3.960 0.007 0.000 0.298 309 G HA3 -0.251 3.713 3.960 0.007 0.000 0.298 309 G C 0.380 175.150 174.900 -0.216 0.000 1.195 309 G CA 0.471 45.463 45.100 -0.179 0.000 0.989 309 G HN 0.611 nan 8.290 nan 0.000 0.551 310 K N 1.989 122.272 120.400 -0.195 0.000 2.699 310 K HA 0.416 4.741 4.320 0.007 0.000 0.210 310 K C 0.120 176.574 176.600 -0.243 0.000 1.076 310 K CA 0.343 56.508 56.287 -0.203 0.000 1.109 310 K CB 0.423 32.858 32.500 -0.108 0.000 0.862 310 K HN 0.501 nan 8.250 nan 0.000 0.470 311 T N -0.230 114.136 114.554 -0.313 0.000 2.876 311 T HA 0.448 4.802 4.350 0.007 0.000 0.289 311 T C -0.744 173.762 174.700 -0.323 0.000 1.014 311 T CA -0.590 61.360 62.100 -0.250 0.000 0.986 311 T CB 1.346 70.115 68.868 -0.165 0.000 1.021 311 T HN 0.126 nan 8.240 nan 0.000 0.458 312 W N 2.061 123.349 121.300 -0.021 0.000 2.496 312 W HA 0.705 5.371 4.660 0.009 0.000 0.327 312 W C -0.276 176.250 176.519 0.012 0.000 1.086 312 W CA -0.809 56.546 57.345 0.016 0.000 1.222 312 W CB 0.859 30.345 29.460 0.043 0.000 1.304 312 W HN 0.348 nan 8.180 nan 0.000 0.547 313 I N 3.467 124.243 120.570 0.343 0.000 2.465 313 I HA 0.422 4.596 4.170 0.007 0.000 0.291 313 I C -0.829 175.480 176.117 0.320 0.000 1.014 313 I CA -1.159 60.294 61.300 0.255 0.000 1.093 313 I CB 1.574 39.695 38.000 0.201 0.000 1.267 313 I HN -0.050 nan 8.210 nan 0.000 0.431 314 V N 5.148 125.198 119.914 0.226 0.000 2.531 314 V HA 0.598 4.722 4.120 0.007 0.000 0.301 314 V C 0.253 176.507 176.094 0.267 0.000 1.034 314 V CA -0.585 61.849 62.300 0.223 0.000 0.865 314 V CB 1.746 33.665 31.823 0.159 0.000 0.995 314 V HN 0.847 nan 8.190 nan 0.000 0.424 315 A N 3.230 126.209 122.820 0.265 0.000 2.304 315 A HA 0.673 4.997 4.320 0.007 0.000 0.271 315 A C 1.298 179.050 177.584 0.279 0.000 1.091 315 A CA 0.280 52.477 52.037 0.266 0.000 0.812 315 A CB 0.845 19.948 19.000 0.172 0.000 1.056 315 A HN 1.143 nan 8.150 nan 0.000 0.489 316 G N -0.405 108.501 108.800 0.177 0.000 3.042 316 G HA2 0.353 4.317 3.960 0.007 0.000 0.212 316 G HA3 0.353 4.317 3.960 0.007 0.000 0.212 316 G C 0.712 175.480 174.900 -0.220 0.000 1.166 316 G CA 1.111 46.050 45.100 -0.268 0.000 0.767 316 G HN 1.586 nan 8.290 nan 0.000 0.546 317 S N -1.630 114.015 115.700 -0.092 0.000 3.525 317 S HA 0.086 4.560 4.470 0.007 0.000 0.629 317 S C 0.236 174.692 174.600 -0.241 0.000 2.621 317 S CA 1.327 59.458 58.200 -0.115 0.000 3.752 317 S CB -1.197 61.931 63.200 -0.119 0.000 0.260 317 S HN 2.150 nan 8.310 nan 0.000 1.214 318 A N -0.803 121.819 122.820 -0.331 0.000 2.549 318 A HA 0.831 5.155 4.320 0.007 0.000 0.291 318 A C 0.468 177.717 177.584 -0.558 0.000 1.034 318 A CA 0.878 52.602 52.037 -0.523 0.000 0.655 318 A CB -0.240 18.237 19.000 -0.872 0.000 1.299 318 A HN 2.662 nan 8.150 nan 0.000 0.427 319 A N -0.791 121.762 122.820 -0.445 0.000 2.816 319 A HA 0.306 4.630 4.320 0.007 0.000 0.270 319 A C 2.013 179.523 177.584 -0.123 0.000 1.413 319 A CA 2.302 54.171 52.037 -0.280 0.000 0.866 319 A CB -1.957 16.763 19.000 -0.466 0.000 1.032 319 A HN 3.196 nan 8.150 nan 0.000 0.642 320 G N -0.996 107.696 108.800 -0.180 0.000 2.148 320 G HA2 -0.361 3.603 3.960 0.007 0.000 0.254 320 G HA3 -0.361 3.603 3.960 0.007 0.000 0.254 320 G C 0.766 175.572 174.900 -0.157 0.000 0.981 320 G CA 1.469 46.460 45.100 -0.182 0.000 0.670 320 G HN 2.017 nan 8.290 nan 0.000 0.528 321 K N -0.343 119.950 120.400 -0.178 0.000 2.211 321 K HA 0.487 4.811 4.320 0.007 0.000 0.203 321 K C 1.027 177.564 176.600 -0.104 0.000 1.050 321 K CA 1.346 57.543 56.287 -0.151 0.000 0.945 321 K CB 0.126 32.524 32.500 -0.171 0.000 0.732 321 K HN 1.368 nan 8.250 nan 0.000 0.451 322 A N 0.913 123.675 122.820 -0.098 0.000 2.539 322 A HA 0.593 4.917 4.320 0.007 0.000 0.296 322 A C -1.915 175.650 177.584 -0.032 0.000 1.073 322 A CA -0.904 51.100 52.037 -0.054 0.000 0.700 322 A CB 1.721 20.686 19.000 -0.058 0.000 1.296 322 A HN 0.195 nan 8.150 nan 0.000 0.405 323 L N 1.571 122.800 121.223 0.009 0.000 2.319 323 L HA 0.755 5.100 4.340 0.007 0.000 0.281 323 L C -0.951 175.959 176.870 0.066 0.000 1.005 323 L CA -0.403 54.468 54.840 0.052 0.000 0.828 323 L CB 1.308 43.400 42.059 0.055 0.000 1.227 323 L HN 0.696 nan 8.230 nan 0.000 0.415 324 M N 5.256 124.908 119.600 0.087 0.000 2.084 324 M HA 0.408 4.892 4.480 0.007 0.000 0.351 324 M C -0.224 176.160 176.300 0.140 0.000 1.240 324 M CA 0.210 55.579 55.300 0.116 0.000 1.083 324 M CB 0.756 33.472 32.600 0.194 0.000 1.593 324 M HN 0.432 nan 8.290 nan 0.000 0.463 325 R N 3.067 123.621 120.500 0.090 0.000 2.207 325 R HA 0.596 4.940 4.340 0.007 0.000 0.334 325 R C -1.614 174.713 176.300 0.045 0.000 1.013 325 R CA -0.306 55.840 56.100 0.076 0.000 0.858 325 R CB 0.677 31.014 30.300 0.062 0.000 1.094 325 R HN 0.543 nan 8.270 nan 0.000 0.457 326 V N 5.429 125.374 119.914 0.051 0.000 2.293 326 V HA 0.190 4.315 4.120 0.007 0.000 0.275 326 V C -0.558 175.551 176.094 0.025 0.000 1.021 326 V CA -0.817 61.492 62.300 0.015 0.000 0.815 326 V CB 1.283 33.116 31.823 0.017 0.000 1.025 326 V HN 0.773 nan 8.190 nan 0.000 0.448 327 D N 5.502 125.913 120.400 0.019 0.000 2.264 327 D HA 0.509 5.154 4.640 0.007 0.000 0.250 327 D C -0.354 176.054 176.300 0.179 0.000 1.113 327 D CA -0.029 54.044 54.000 0.121 0.000 0.871 327 D CB 2.462 43.384 40.800 0.204 0.000 1.167 327 D HN 0.322 nan 8.370 nan 0.000 0.447 328 L N 1.858 123.183 121.223 0.170 0.000 2.341 328 L HA 0.390 4.734 4.340 0.007 0.000 0.278 328 L C 0.447 177.392 176.870 0.124 0.000 1.005 328 L CA -0.773 54.155 54.840 0.146 0.000 0.818 328 L CB 1.829 43.933 42.059 0.075 0.000 1.259 328 L HN -0.022 nan 8.230 nan 0.000 0.418 329 K N 4.367 124.838 120.400 0.118 0.000 2.281 329 K HA 0.557 4.881 4.320 0.007 0.000 0.272 329 K C -0.901 175.725 176.600 0.043 0.000 1.048 329 K CA -0.395 55.908 56.287 0.027 0.000 0.898 329 K CB 1.169 33.656 32.500 -0.021 0.000 1.128 329 K HN 0.450 nan 8.250 nan 0.000 0.460 330 L N 3.433 124.636 121.223 -0.032 0.000 2.416 330 L HA 0.583 4.927 4.340 0.007 0.000 0.262 330 L C -0.118 176.533 176.870 -0.365 0.000 1.093 330 L CA -0.964 53.742 54.840 -0.224 0.000 0.801 330 L CB 0.668 42.475 42.059 -0.421 0.000 1.191 330 L HN 0.656 nan 8.230 nan 0.000 0.459 331 W N 0.660 121.569 121.300 -0.652 0.000 3.083 331 W HA 0.344 5.008 4.660 0.007 0.000 0.333 331 W C 0.181 176.453 176.519 -0.410 0.000 1.217 331 W CA -0.980 56.064 57.345 -0.502 0.000 1.170 331 W CB 1.453 30.822 29.460 -0.152 0.000 1.437 331 W HN 0.560 nan 8.180 nan 0.000 0.557 332 K N 0.663 120.989 120.400 -0.123 0.000 2.228 332 K HA -0.158 4.166 4.320 0.007 0.000 0.205 332 K C 1.380 177.516 176.600 -0.774 0.000 1.045 332 K CA 2.421 58.576 56.287 -0.220 0.000 0.931 332 K CB -0.621 31.917 32.500 0.064 0.000 0.727 332 K HN 0.704 nan 8.250 nan 0.000 0.458 333 G N -0.769 106.855 108.800 -1.959 0.000 3.277 333 G HA2 0.423 4.387 3.960 0.007 0.000 0.243 333 G HA3 0.423 4.387 3.960 0.007 0.000 0.243 333 G C 0.253 174.377 174.900 -1.293 0.000 1.107 333 G CA 0.160 44.194 45.100 -1.776 0.000 0.771 333 G HN 0.635 nan 8.290 nan 0.000 0.544 334 G N -0.135 107.891 108.800 -1.289 0.000 2.439 334 G HA2 0.126 4.090 3.960 0.007 0.000 0.186 334 G HA3 0.126 4.090 3.960 0.007 0.000 0.186 334 G C -1.419 173.358 174.900 -0.205 0.000 1.260 334 G CA -0.899 43.906 45.100 -0.492 0.000 1.020 334 G HN 0.219 nan 8.290 nan 0.000 0.470 335 I N 2.387 123.036 120.570 0.132 0.000 2.312 335 I HA 0.484 4.658 4.170 0.007 0.000 0.290 335 I C 1.519 177.881 176.117 0.408 0.000 1.008 335 I CA -0.002 61.435 61.300 0.228 0.000 1.226 335 I CB 1.615 39.738 38.000 0.205 0.000 1.371 335 I HN 0.770 nan 8.210 nan 0.000 0.468 336 A N 5.875 128.933 122.820 0.396 0.000 1.841 336 A HA -0.039 4.286 4.320 0.007 0.000 0.214 336 A C 1.020 178.703 177.584 0.165 0.000 1.195 336 A CA 1.524 53.682 52.037 0.202 0.000 0.611 336 A CB -0.063 18.991 19.000 0.090 0.000 0.835 336 A HN 0.706 nan 8.150 nan 0.000 0.443 337 N N -2.095 116.704 118.700 0.165 0.000 2.825 337 N HA 0.602 5.346 4.740 0.007 0.000 0.253 337 N C -1.538 174.058 175.510 0.143 0.000 1.426 337 N CA -0.189 52.953 53.050 0.154 0.000 0.851 337 N CB 1.710 40.304 38.487 0.179 0.000 1.470 337 N HN 0.544 nan 8.380 nan 0.000 0.517 338 L N -1.579 119.638 121.223 -0.010 0.000 2.540 338 L HA 0.717 5.061 4.340 0.007 0.000 0.256 338 L C -1.185 175.474 176.870 -0.352 0.000 1.001 338 L CA -0.906 53.877 54.840 -0.095 0.000 0.843 338 L CB 2.632 44.554 42.059 -0.228 0.000 1.436 338 L HN 0.484 nan 8.230 nan 0.000 0.410 339 R N 1.889 122.122 120.500 -0.444 0.000 2.480 339 R HA 0.786 5.131 4.340 0.007 0.000 0.306 339 R C -1.933 174.202 176.300 -0.275 0.000 0.958 339 R CA -0.539 55.244 56.100 -0.529 0.000 0.861 339 R CB 2.211 31.994 30.300 -0.861 0.000 1.171 339 R HN 0.664 nan 8.270 nan 0.000 0.445 340 V N 5.388 125.171 119.914 -0.217 0.000 2.448 340 V HA 0.584 4.708 4.120 0.007 0.000 0.295 340 V C -0.425 175.616 176.094 -0.089 0.000 1.025 340 V CA -0.856 61.373 62.300 -0.118 0.000 0.859 340 V CB 1.671 33.438 31.823 -0.094 0.000 0.988 340 V HN 0.672 nan 8.190 nan 0.000 0.431 341 R N 3.223 123.692 120.500 -0.050 0.000 2.532 341 R HA 0.517 4.861 4.340 0.007 0.000 0.297 341 R C -1.204 175.087 176.300 -0.016 0.000 0.984 341 R CA -0.725 55.349 56.100 -0.042 0.000 0.884 341 R CB 2.126 32.404 30.300 -0.037 0.000 1.182 341 R HN 0.460 nan 8.270 nan 0.000 0.442 342 V N 5.519 125.412 119.914 -0.035 0.000 2.389 342 V HA 0.244 4.368 4.120 0.007 0.000 0.264 342 V C 0.495 176.581 176.094 -0.013 0.000 1.049 342 V CA -0.349 61.934 62.300 -0.028 0.000 0.932 342 V CB 0.664 32.446 31.823 -0.067 0.000 1.011 342 V HN 0.445 nan 8.190 nan 0.000 0.475 343 L N 8.467 129.712 121.223 0.037 0.000 2.261 343 L HA 0.392 4.737 4.340 0.007 0.000 0.289 343 L C -2.340 174.606 176.870 0.126 0.000 1.059 343 L CA -1.780 53.129 54.840 0.115 0.000 0.816 343 L CB 1.198 43.378 42.059 0.203 0.000 1.191 343 L HN 0.384 nan 8.230 nan 0.000 0.431 344 P HA 0.017 nan 4.420 nan 0.000 0.271 344 P C -0.341 177.056 177.300 0.162 0.000 1.220 344 P CA -0.169 62.980 63.100 0.082 0.000 0.768 344 P CB 0.852 32.560 31.700 0.014 0.000 0.848 345 V N 5.861 125.808 119.914 0.055 0.000 2.267 345 V HA 0.112 4.236 4.120 0.007 0.000 0.254 345 V C 0.404 176.530 176.094 0.054 0.000 1.144 345 V CA 0.103 62.413 62.300 0.017 0.000 0.992 345 V CB -0.807 30.983 31.823 -0.055 0.000 1.199 345 V HN 0.398 nan 8.190 nan 0.000 0.493 346 L N 3.781 125.086 121.223 0.136 0.000 2.272 346 L HA 0.425 4.769 4.340 0.007 0.000 0.284 346 L C 1.629 178.585 176.870 0.143 0.000 1.045 346 L CA -0.323 54.640 54.840 0.205 0.000 0.842 346 L CB 1.209 43.481 42.059 0.355 0.000 1.224 346 L HN 0.607 nan 8.230 nan 0.000 0.430 347 A N 2.535 125.393 122.820 0.063 0.000 1.948 347 A HA -0.192 4.132 4.320 0.007 0.000 0.220 347 A C 1.942 179.510 177.584 -0.027 0.000 1.177 347 A CA 1.626 53.666 52.037 0.005 0.000 0.636 347 A CB -0.219 18.773 19.000 -0.014 0.000 0.815 347 A HN 0.818 nan 8.150 nan 0.000 0.449 348 E N -1.306 118.860 120.200 -0.057 0.000 2.347 348 E HA -0.092 4.262 4.350 0.007 0.000 0.196 348 E C 0.562 176.860 176.600 -0.503 0.000 1.008 348 E CA 0.661 56.896 56.400 -0.275 0.000 0.852 348 E CB -0.064 29.424 29.700 -0.353 0.000 0.783 348 E HN 0.768 nan 8.360 nan 0.000 0.505 349 H N -0.814 118.306 119.070 0.084 0.000 2.581 349 H HA 0.286 4.846 4.556 0.006 0.000 0.275 349 H C -0.005 175.370 175.328 0.078 0.000 1.126 349 H CA 0.092 56.206 56.048 0.111 0.000 1.097 349 H CB 0.699 30.567 29.762 0.176 0.000 1.626 349 H HN 0.006 nan 8.280 nan 0.000 0.565 350 L N 1.999 123.250 121.223 0.047 0.000 2.354 350 L HA 0.419 4.763 4.340 0.007 0.000 0.264 350 L C -2.006 174.843 176.870 -0.035 0.000 1.008 350 L CA -1.984 52.835 54.840 -0.035 0.000 0.819 350 L CB 2.312 44.310 42.059 -0.101 0.000 1.339 350 L HN -0.021 nan 8.230 nan 0.000 0.420 351 P HA 0.211 nan 4.420 nan 0.000 0.274 351 P C -1.352 175.930 177.300 -0.031 0.000 1.246 351 P CA -0.607 62.476 63.100 -0.029 0.000 0.795 351 P CB 0.680 32.364 31.700 -0.025 0.000 1.006 352 K N 0.223 120.611 120.400 -0.020 0.000 2.185 352 K HA 0.454 4.779 4.320 0.007 0.000 0.271 352 K C 0.008 176.603 176.600 -0.007 0.000 1.013 352 K CA -0.473 55.806 56.287 -0.014 0.000 0.943 352 K CB 0.919 33.415 32.500 -0.007 0.000 0.998 352 K HN 0.534 nan 8.250 nan 0.000 0.468 353 A N 3.559 126.380 122.820 0.002 0.000 2.736 353 A HA 0.142 4.466 4.320 0.007 0.000 0.335 353 A C 0.955 178.555 177.584 0.028 0.000 1.446 353 A CA -0.465 51.581 52.037 0.015 0.000 1.028 353 A CB 0.026 19.045 19.000 0.032 0.000 1.154 353 A HN 0.632 nan 8.150 nan 0.000 0.507 354 E N 1.853 122.065 120.200 0.020 0.000 2.086 354 E HA -0.267 4.087 4.350 0.007 0.000 0.200 354 E C 1.398 178.025 176.600 0.045 0.000 1.012 354 E CA 1.993 58.409 56.400 0.027 0.000 0.812 354 E CB -0.137 29.574 29.700 0.017 0.000 0.743 354 E HN 0.929 nan 8.360 nan 0.000 0.453 355 D N 0.512 120.938 120.400 0.043 0.000 2.144 355 D HA -0.117 4.527 4.640 0.007 0.000 0.199 355 D C 2.070 178.437 176.300 0.112 0.000 0.984 355 D CA 0.929 54.965 54.000 0.059 0.000 0.834 355 D CB -0.722 40.092 40.800 0.024 0.000 0.955 355 D HN 0.115 nan 8.370 nan 0.000 0.465 356 V N 1.257 121.239 119.914 0.114 0.000 2.307 356 V HA -0.187 3.937 4.120 0.007 0.000 0.245 356 V C 2.617 178.810 176.094 0.165 0.000 1.045 356 V CA 1.802 64.212 62.300 0.183 0.000 1.024 356 V CB -0.458 31.476 31.823 0.185 0.000 0.651 356 V HN 0.124 nan 8.190 nan 0.000 0.449 357 E N 0.553 120.809 120.200 0.095 0.000 2.085 357 E HA -0.220 4.134 4.350 0.007 0.000 0.194 357 E C 2.355 179.006 176.600 0.086 0.000 0.994 357 E CA 1.589 58.032 56.400 0.072 0.000 0.801 357 E CB -0.496 29.231 29.700 0.045 0.000 0.743 357 E HN 0.586 nan 8.360 nan 0.000 0.453 358 A N 1.026 123.906 122.820 0.099 0.000 1.877 358 A HA -0.168 4.157 4.320 0.007 0.000 0.216 358 A C 2.077 179.738 177.584 0.128 0.000 1.186 358 A CA 1.270 53.363 52.037 0.094 0.000 0.620 358 A CB -0.831 18.221 19.000 0.087 0.000 0.822 358 A HN 0.285 nan 8.150 nan 0.000 0.443 359 F N 0.731 120.699 119.950 0.030 0.000 2.126 359 F HA -0.151 4.380 4.527 0.007 0.000 0.299 359 F C 1.870 177.692 175.800 0.037 0.000 1.096 359 F CA 1.696 59.716 58.000 0.034 0.000 1.255 359 F CB -0.299 38.729 39.000 0.047 0.000 0.997 359 F HN 0.140 nan 8.300 nan 0.000 0.479 360 L N 0.301 121.504 121.223 -0.034 0.000 2.046 360 L HA -0.233 4.111 4.340 0.007 0.000 0.208 360 L C 2.623 179.470 176.870 -0.038 0.000 1.077 360 L CA 1.906 56.677 54.840 -0.114 0.000 0.747 360 L CB -0.812 41.236 42.059 -0.018 0.000 0.896 360 L HN 0.156 nan 8.230 nan 0.000 0.432 361 K N 0.491 120.897 120.400 0.011 0.000 2.026 361 K HA -0.195 4.130 4.320 0.007 0.000 0.208 361 K C 2.149 178.735 176.600 -0.023 0.000 1.048 361 K CA 1.425 57.723 56.287 0.019 0.000 0.929 361 K CB -0.103 32.409 32.500 0.020 0.000 0.713 361 K HN 0.243 nan 8.250 nan 0.000 0.439 362 A N 1.129 123.913 122.820 -0.061 0.000 1.902 362 A HA -0.187 4.137 4.320 0.007 0.000 0.217 362 A C 2.122 179.631 177.584 -0.125 0.000 1.181 362 A CA 1.381 53.372 52.037 -0.077 0.000 0.623 362 A CB -0.505 18.462 19.000 -0.056 0.000 0.818 362 A HN 0.402 nan 8.150 nan 0.000 0.443 363 Q N -0.527 119.124 119.800 -0.249 0.000 2.079 363 Q HA -0.016 4.328 4.340 0.007 0.000 0.200 363 Q C 1.736 177.715 176.000 -0.034 0.000 0.974 363 Q CA 1.265 56.924 55.803 -0.239 0.000 0.840 363 Q CB -0.230 28.209 28.738 -0.498 0.000 0.898 363 Q HN 0.709 nan 8.270 nan 0.000 0.430 364 L N -0.443 120.799 121.223 0.032 0.000 2.693 364 L HA 0.257 4.601 4.340 0.007 0.000 0.235 364 L C 1.991 178.941 176.870 0.132 0.000 1.127 364 L CA 0.014 54.960 54.840 0.176 0.000 0.914 364 L CB -0.159 42.068 42.059 0.280 0.000 1.193 364 L HN -0.010 nan 8.230 nan 0.000 0.502 365 A N 1.755 124.597 122.820 0.036 0.000 1.873 365 A HA -0.130 4.194 4.320 0.007 0.000 0.218 365 A C -0.129 177.418 177.584 -0.062 0.000 1.193 365 A CA 1.804 53.840 52.037 -0.000 0.000 0.629 365 A CB -1.714 17.269 19.000 -0.028 0.000 0.826 365 A HN 0.289 nan 8.150 nan 0.000 0.447 366 P HA -0.107 nan 4.420 nan 0.000 0.225 366 P C 0.454 177.479 177.300 -0.458 0.000 1.148 366 P CA 1.213 64.085 63.100 -0.380 0.000 0.779 366 P CB -0.149 31.192 31.700 -0.599 0.000 0.780 367 H N -1.363 117.713 119.070 0.010 0.000 2.784 367 H HA 0.156 4.716 4.556 0.007 0.000 0.273 367 H C 1.654 177.008 175.328 0.042 0.000 1.112 367 H CA 0.105 56.161 56.048 0.014 0.000 1.162 367 H CB 0.037 29.793 29.762 -0.011 0.000 1.586 367 H HN 0.370 nan 8.280 nan 0.000 0.548 368 Q N 1.677 121.584 119.800 0.178 0.000 2.226 368 Q HA -0.167 4.177 4.340 0.007 0.000 0.204 368 Q C 0.842 176.967 176.000 0.209 0.000 0.975 368 Q CA 2.000 57.976 55.803 0.287 0.000 0.866 368 Q CB -0.354 28.557 28.738 0.288 0.000 0.915 368 Q HN 0.451 nan 8.270 nan 0.000 0.440 369 D N 0.713 121.191 120.400 0.130 0.000 2.087 369 D HA -0.291 4.354 4.640 0.007 0.000 0.192 369 D C 1.889 178.251 176.300 0.103 0.000 0.993 369 D CA 1.651 55.716 54.000 0.108 0.000 0.828 369 D CB -0.618 40.232 40.800 0.083 0.000 0.968 369 D HN 0.448 nan 8.370 nan 0.000 0.448 370 H N 0.270 119.331 119.070 -0.016 0.000 2.319 370 H HA -0.009 4.551 4.556 0.007 0.000 0.299 370 H C 1.985 177.261 175.328 -0.088 0.000 1.092 370 H CA 1.525 57.520 56.048 -0.089 0.000 1.302 370 H CB -0.398 29.252 29.762 -0.188 0.000 1.373 370 H HN 0.159 nan 8.280 nan 0.000 0.497 371 L N -1.183 119.829 121.223 -0.352 0.000 2.056 371 L HA -0.116 4.228 4.340 0.007 0.000 0.207 371 L C 1.396 177.746 176.870 -0.866 0.000 1.078 371 L CA 1.180 55.569 54.840 -0.753 0.000 0.749 371 L CB -0.193 41.159 42.059 -1.178 0.000 0.901 371 L HN 0.277 nan 8.230 nan 0.000 0.433 372 F N -1.858 118.050 119.950 -0.069 0.000 2.704 372 F HA 0.141 4.673 4.527 0.008 0.000 0.304 372 F C 1.173 176.948 175.800 -0.042 0.000 1.094 372 F CA -0.467 57.474 58.000 -0.099 0.000 1.275 372 F CB -0.592 38.315 39.000 -0.156 0.000 1.073 372 F HN -0.226 nan 8.300 nan 0.000 0.586 373 T N 3.629 118.247 114.554 0.106 0.000 2.916 373 T HA 0.157 4.511 4.350 0.007 0.000 0.303 373 T C -2.342 172.401 174.700 0.070 0.000 1.025 373 T CA -0.929 61.227 62.100 0.093 0.000 1.142 373 T CB 0.574 69.499 68.868 0.096 0.000 0.947 373 T HN -0.213 nan 8.240 nan 0.000 0.544 374 P HA 0.220 nan 4.420 nan 0.000 0.271 374 P C 0.346 177.657 177.300 0.018 0.000 1.216 374 P CA -0.160 62.968 63.100 0.048 0.000 0.771 374 P CB 0.587 32.315 31.700 0.046 0.000 0.864 375 L N 1.324 122.537 121.223 -0.016 0.000 2.316 375 L HA 0.388 4.732 4.340 0.007 0.000 0.207 375 L C 0.991 177.832 176.870 -0.050 0.000 1.070 375 L CA 0.614 55.417 54.840 -0.061 0.000 0.820 375 L CB -0.072 41.886 42.059 -0.168 0.000 0.992 375 L HN 0.425 nan 8.230 nan 0.000 0.466 376 A N -0.988 121.816 122.820 -0.026 0.000 2.586 376 A HA 0.618 4.942 4.320 0.007 0.000 0.290 376 A C -1.594 175.993 177.584 0.004 0.000 1.086 376 A CA -0.398 51.622 52.037 -0.028 0.000 0.665 376 A CB 1.328 20.293 19.000 -0.059 0.000 1.279 376 A HN -0.240 nan 8.150 nan 0.000 0.423 377 V N 1.131 121.044 119.914 -0.002 0.000 2.435 377 V HA 0.625 4.749 4.120 0.007 0.000 0.290 377 V C 0.537 176.638 176.094 0.012 0.000 1.030 377 V CA -0.309 61.999 62.300 0.013 0.000 0.881 377 V CB 1.667 33.496 31.823 0.009 0.000 0.983 377 V HN 0.967 nan 8.190 nan 0.000 0.445 378 S N 3.017 118.732 115.700 0.026 0.000 2.475 378 S HA 0.280 4.755 4.470 0.007 0.000 0.281 378 S C 0.909 175.523 174.600 0.024 0.000 1.198 378 S CA -0.500 57.718 58.200 0.030 0.000 1.063 378 S CB 0.881 64.111 63.200 0.050 0.000 0.972 378 S HN 0.809 nan 8.310 nan 0.000 0.486 379 E N 2.247 122.459 120.200 0.020 0.000 2.285 379 E HA 0.020 4.374 4.350 0.007 0.000 0.194 379 E C 0.742 177.360 176.600 0.029 0.000 0.997 379 E CA 0.722 57.134 56.400 0.019 0.000 0.845 379 E CB 0.249 29.958 29.700 0.014 0.000 0.782 379 E HN 0.825 nan 8.360 nan 0.000 0.491 380 T N -1.877 112.702 114.554 0.042 0.000 2.864 380 T HA 0.413 4.767 4.350 0.007 0.000 0.289 380 T C -0.433 174.320 174.700 0.087 0.000 1.082 380 T CA -1.008 61.129 62.100 0.062 0.000 1.009 380 T CB 1.391 70.300 68.868 0.068 0.000 1.234 380 T HN -0.056 nan 8.240 nan 0.000 0.526 381 L N 1.102 122.400 121.223 0.126 0.000 2.534 381 L HA 0.406 4.750 4.340 0.007 0.000 0.271 381 L C -0.805 176.184 176.870 0.199 0.000 1.178 381 L CA 0.034 54.982 54.840 0.181 0.000 0.907 381 L CB -0.454 41.747 42.059 0.237 0.000 1.164 381 L HN 0.550 nan 8.230 nan 0.000 0.482 382 L N 7.667 128.997 121.223 0.178 0.000 2.277 382 L HA 0.392 4.736 4.340 0.007 0.000 0.284 382 L C -0.879 176.110 176.870 0.200 0.000 1.028 382 L CA -0.719 54.207 54.840 0.144 0.000 0.835 382 L CB 0.410 42.591 42.059 0.203 0.000 1.215 382 L HN 0.646 nan 8.230 nan 0.000 0.425 383 Y N 1.198 121.531 120.300 0.056 0.000 2.549 383 Y HA 0.617 5.171 4.550 0.007 0.000 0.339 383 Y C 0.301 176.208 175.900 0.012 0.000 1.053 383 Y CA -1.189 56.897 58.100 -0.024 0.000 1.105 383 Y CB 1.630 40.006 38.460 -0.140 0.000 1.258 383 Y HN 0.300 nan 8.280 nan 0.000 0.478 384 K N 0.872 121.331 120.400 0.099 0.000 2.344 384 K HA 0.329 4.653 4.320 0.007 0.000 0.200 384 K C 0.049 176.667 176.600 0.030 0.000 1.132 384 K CA 0.214 56.533 56.287 0.053 0.000 0.935 384 K CB 0.380 32.939 32.500 0.099 0.000 1.089 384 K HN 0.673 nan 8.250 nan 0.000 0.496 385 R N 1.567 122.072 120.500 0.008 0.000 2.389 385 R HA 0.216 4.560 4.340 0.007 0.000 0.295 385 R C -0.996 175.350 176.300 0.077 0.000 1.075 385 R CA 0.298 56.399 56.100 0.002 0.000 1.005 385 R CB 0.645 30.899 30.300 -0.076 0.000 0.987 385 R HN 0.334 nan 8.270 nan 0.000 0.452 386 D N -0.342 120.105 120.400 0.078 0.000 2.951 386 D HA -0.011 4.634 4.640 0.007 0.000 0.262 386 D C 0.255 176.641 176.300 0.144 0.000 1.110 386 D CA -0.296 53.778 54.000 0.123 0.000 0.724 386 D CB 0.819 41.754 40.800 0.225 0.000 1.516 386 D HN 0.272 nan 8.370 nan 0.000 0.447 387 T N 0.941 115.610 114.554 0.192 0.000 2.746 387 T HA -0.033 4.321 4.350 0.007 0.000 0.267 387 T C 1.521 176.369 174.700 0.247 0.000 1.039 387 T CA 1.353 63.590 62.100 0.227 0.000 1.142 387 T CB -0.052 69.013 68.868 0.328 0.000 0.866 387 T HN 0.361 nan 8.240 nan 0.000 0.444 388 L N -2.505 118.897 121.223 0.298 0.000 2.653 388 L HA 0.424 4.769 4.340 0.007 0.000 0.230 388 L C 0.009 177.034 176.870 0.258 0.000 1.055 388 L CA -0.194 54.805 54.840 0.264 0.000 0.880 388 L CB 0.614 42.790 42.059 0.196 0.000 1.195 388 L HN 0.219 nan 8.230 nan 0.000 0.492 389 Y N -0.566 119.824 120.300 0.151 0.000 2.552 389 Y HA 0.617 5.171 4.550 0.007 0.000 0.337 389 Y C -1.182 174.771 175.900 0.087 0.000 1.094 389 Y CA -0.761 57.389 58.100 0.085 0.000 1.028 389 Y CB 2.083 40.569 38.460 0.043 0.000 1.321 389 Y HN -0.232 nan 8.280 nan 0.000 0.456 390 S N 1.294 116.367 115.700 -1.045 0.000 2.556 390 S HA 0.288 4.762 4.470 0.007 0.000 0.271 390 S C 0.332 174.163 174.600 -1.282 0.000 1.135 390 S CA -0.147 57.444 58.200 -1.015 0.000 0.858 390 S CB 1.724 64.604 63.200 -0.532 0.000 1.114 390 S HN 0.850 nan 8.310 nan 0.000 0.468 391 T N -0.641 113.190 114.554 -1.205 0.000 2.904 391 T HA -0.073 4.281 4.350 0.007 0.000 0.267 391 T C 1.659 176.053 174.700 -0.509 0.000 1.059 391 T CA 0.549 62.251 62.100 -0.664 0.000 1.137 391 T CB -0.289 68.347 68.868 -0.386 0.000 0.879 391 T HN 0.757 nan 8.240 nan 0.000 0.467 392 W N 2.636 123.562 121.300 -0.624 0.000 2.355 392 W HA -0.139 4.525 4.660 0.008 0.000 0.309 392 W C 1.067 177.284 176.519 -0.504 0.000 1.206 392 W CA 1.425 58.439 57.345 -0.551 0.000 1.284 392 W CB -0.313 28.756 29.460 -0.652 0.000 1.145 392 W HN 0.234 nan 8.180 nan 0.000 0.502 393 D N 0.223 120.238 120.400 -0.642 0.000 2.218 393 D HA -0.244 4.400 4.640 0.007 0.000 0.204 393 D C 2.057 177.979 176.300 -0.630 0.000 0.976 393 D CA 1.587 55.226 54.000 -0.601 0.000 0.853 393 D CB -0.434 40.176 40.800 -0.316 0.000 0.939 393 D HN 0.438 nan 8.370 nan 0.000 0.481 394 Q N 0.552 119.968 119.800 -0.640 0.000 2.079 394 Q HA -0.101 4.243 4.340 0.007 0.000 0.200 394 Q C 2.411 177.926 176.000 -0.809 0.000 0.974 394 Q CA 0.576 55.995 55.803 -0.640 0.000 0.840 394 Q CB -0.123 28.385 28.738 -0.382 0.000 0.898 394 Q HN 0.272 nan 8.270 nan 0.000 0.430 395 L N 0.167 120.952 121.223 -0.729 0.000 2.013 395 L HA -0.209 4.135 4.340 0.007 0.000 0.212 395 L C 2.159 178.532 176.870 -0.828 0.000 1.073 395 L CA 1.412 55.831 54.840 -0.702 0.000 0.753 395 L CB -0.336 41.311 42.059 -0.687 0.000 0.890 395 L HN 0.150 nan 8.230 nan 0.000 0.432 396 V N 0.415 119.736 119.914 -0.988 0.000 2.343 396 V HA -0.239 3.885 4.120 0.007 0.000 0.247 396 V C 2.692 178.437 176.094 -0.582 0.000 1.051 396 V CA 1.904 63.741 62.300 -0.772 0.000 1.036 396 V CB -1.507 29.912 31.823 -0.673 0.000 0.654 396 V HN 0.694 nan 8.190 nan 0.000 0.451 397 G N -0.728 107.688 108.800 -0.640 0.000 2.422 397 G HA2 -0.227 3.737 3.960 0.007 0.000 0.218 397 G HA3 -0.227 3.737 3.960 0.007 0.000 0.218 397 G C 1.478 175.975 174.900 -0.671 0.000 1.146 397 G CA 0.825 45.580 45.100 -0.574 0.000 0.769 397 G HN 0.574 nan 8.290 nan 0.000 0.547 398 E N 0.416 120.033 120.200 -0.971 0.000 2.106 398 E HA 0.014 4.368 4.350 0.007 0.000 0.192 398 E C 2.923 179.108 176.600 -0.692 0.000 0.984 398 E CA 0.622 56.630 56.400 -0.653 0.000 0.806 398 E CB -0.127 29.233 29.700 -0.567 0.000 0.750 398 E HN 0.415 nan 8.360 nan 0.000 0.458 399 A N 0.953 123.207 122.820 -0.943 0.000 1.898 399 A HA -0.137 4.188 4.320 0.007 0.000 0.216 399 A C 2.495 179.766 177.584 -0.523 0.000 1.181 399 A CA 1.104 52.420 52.037 -1.202 0.000 0.620 399 A CB -0.639 17.822 19.000 -0.899 0.000 0.819 399 A HN 0.102 nan 8.150 nan 0.000 0.442 400 V N 0.307 120.035 119.914 -0.310 0.000 2.295 400 V HA -0.275 3.849 4.120 0.007 0.000 0.246 400 V C 2.445 178.548 176.094 0.015 0.000 1.049 400 V CA 2.337 64.605 62.300 -0.053 0.000 1.024 400 V CB -0.682 31.113 31.823 -0.046 0.000 0.648 400 V HN 0.519 nan 8.190 nan 0.000 0.447 401 K N -0.032 120.347 120.400 -0.036 0.000 2.147 401 K HA -0.111 4.213 4.320 0.007 0.000 0.205 401 K C 2.260 178.853 176.600 -0.013 0.000 1.049 401 K CA 1.343 57.645 56.287 0.024 0.000 0.936 401 K CB -0.331 32.230 32.500 0.102 0.000 0.722 401 K HN 0.495 nan 8.250 nan 0.000 0.446 402 A N 1.284 124.050 122.820 -0.090 0.000 1.898 402 A HA -0.100 4.224 4.320 0.007 0.000 0.216 402 A C 2.019 179.564 177.584 -0.066 0.000 1.181 402 A CA 1.170 53.180 52.037 -0.045 0.000 0.620 402 A CB -0.354 18.645 19.000 -0.002 0.000 0.819 402 A HN 0.160 nan 8.150 nan 0.000 0.442 403 I N -2.567 117.913 120.570 -0.149 0.000 2.716 403 I HA -0.075 4.099 4.170 0.007 0.000 0.259 403 I C -0.067 175.686 176.117 -0.608 0.000 1.172 403 I CA 0.714 61.797 61.300 -0.362 0.000 1.478 403 I CB 0.095 37.839 38.000 -0.427 0.000 1.104 403 I HN 0.315 nan 8.210 nan 0.000 0.439 404 Y N 0.132 120.408 120.300 -0.041 0.000 2.662 404 Y HA 0.307 4.861 4.550 0.007 0.000 0.358 404 Y C -1.954 173.915 175.900 -0.053 0.000 1.041 404 Y CA -2.392 55.676 58.100 -0.053 0.000 1.184 404 Y CB 0.038 38.434 38.460 -0.107 0.000 1.114 404 Y HN -0.051 nan 8.280 nan 0.000 0.650 405 P HA -0.137 nan 4.420 nan 0.000 0.223 405 P C 0.531 177.850 177.300 0.033 0.000 1.144 405 P CA 1.319 64.439 63.100 0.032 0.000 0.783 405 P CB 0.399 32.109 31.700 0.016 0.000 0.771 406 E N -1.010 119.216 120.200 0.043 0.000 2.358 406 E HA -0.005 4.349 4.350 0.007 0.000 0.195 406 E C 0.516 177.112 176.600 -0.007 0.000 1.010 406 E CA 0.159 56.574 56.400 0.026 0.000 0.856 406 E CB -0.726 28.995 29.700 0.035 0.000 0.795 406 E HN 0.030 nan 8.360 nan 0.000 0.504 407 V N 2.441 122.342 119.914 -0.021 0.000 2.529 407 V HA -0.068 4.056 4.120 0.007 0.000 0.292 407 V C 1.028 177.098 176.094 -0.041 0.000 1.028 407 V CA 0.635 62.892 62.300 -0.071 0.000 1.074 407 V CB 0.951 32.723 31.823 -0.085 0.000 0.958 407 V HN 0.202 nan 8.190 nan 0.000 0.481 408 E N 3.128 123.303 120.200 -0.042 0.000 2.201 408 E HA 0.116 4.470 4.350 0.007 0.000 0.193 408 E C 0.051 176.594 176.600 -0.096 0.000 0.957 408 E CA 0.416 56.802 56.400 -0.024 0.000 0.858 408 E CB 0.898 30.653 29.700 0.092 0.000 0.816 408 E HN 0.671 nan 8.360 nan 0.000 0.475 409 V N -0.903 118.945 119.914 -0.110 0.000 2.686 409 V HA 0.534 4.659 4.120 0.007 0.000 0.306 409 V C -0.564 175.436 176.094 -0.157 0.000 1.065 409 V CA -1.118 61.061 62.300 -0.202 0.000 0.894 409 V CB 1.979 33.634 31.823 -0.279 0.000 1.004 409 V HN -0.213 nan 8.190 nan 0.000 0.424 410 V N 4.852 124.676 119.914 -0.149 0.000 2.378 410 V HA 0.514 4.638 4.120 0.007 0.000 0.288 410 V C -0.601 175.429 176.094 -0.107 0.000 1.016 410 V CA -0.219 62.061 62.300 -0.032 0.000 0.840 410 V CB 1.180 33.033 31.823 0.051 0.000 0.994 410 V HN 0.782 nan 8.190 nan 0.000 0.431 411 F N 2.516 122.462 119.950 -0.006 0.000 2.390 411 F HA 0.432 4.963 4.527 0.007 0.000 0.361 411 F C 1.018 176.784 175.800 -0.058 0.000 1.124 411 F CA 0.180 58.175 58.000 -0.009 0.000 1.149 411 F CB 1.267 40.275 39.000 0.013 0.000 1.160 411 F HN 0.400 nan 8.300 nan 0.000 0.501 412 S N 5.259 120.979 115.700 0.034 0.000 2.525 412 S HA 0.409 4.883 4.470 0.007 0.000 0.290 412 S C -2.478 172.033 174.600 -0.149 0.000 1.152 412 S CA -1.422 56.700 58.200 -0.129 0.000 1.072 412 S CB 1.256 64.427 63.200 -0.049 0.000 1.027 412 S HN 0.274 nan 8.310 nan 0.000 0.500 413 P HA 0.190 nan 4.420 nan 0.000 0.276 413 P C -0.904 176.379 177.300 -0.027 0.000 1.243 413 P CA -0.292 62.745 63.100 -0.104 0.000 0.768 413 P CB 0.638 32.294 31.700 -0.074 0.000 0.856 414 A N 4.550 127.380 122.820 0.015 0.000 3.033 414 A HA 0.269 4.593 4.320 0.007 0.000 0.250 414 A C 0.915 178.485 177.584 -0.024 0.000 1.633 414 A CA -0.484 51.555 52.037 0.002 0.000 1.290 414 A CB -1.347 17.674 19.000 0.035 0.000 1.048 414 A HN 0.509 nan 8.150 nan 0.000 0.648 415 V N -2.300 117.550 119.914 -0.107 0.000 3.096 415 V HA 0.186 4.310 4.120 0.007 0.000 0.306 415 V C 1.119 177.024 176.094 -0.314 0.000 1.088 415 V CA -0.220 61.931 62.300 -0.248 0.000 1.129 415 V CB 0.371 31.733 31.823 -0.769 0.000 1.014 415 V HN 0.626 nan 8.190 nan 0.000 0.486 416 R N 2.116 122.437 120.500 -0.298 0.000 2.246 416 R HA 0.152 4.496 4.340 0.007 0.000 0.199 416 R C 0.604 176.877 176.300 -0.046 0.000 0.984 416 R CA 0.371 56.291 56.100 -0.300 0.000 1.015 416 R CB 0.167 29.993 30.300 -0.790 0.000 0.930 416 R HN 0.918 nan 8.270 nan 0.000 0.475 417 W N 0.671 121.850 121.300 -0.200 0.000 2.283 417 W HA 0.602 5.266 4.660 0.007 0.000 0.341 417 W C -0.024 176.462 176.519 -0.056 0.000 1.206 417 W CA -0.227 56.986 57.345 -0.220 0.000 1.294 417 W CB 0.390 29.215 29.460 -1.060 0.000 1.154 417 W HN 0.098 nan 8.180 nan 0.000 0.613 418 G N 0.205 109.216 108.800 0.351 0.000 2.356 418 G HA2 0.330 4.294 3.960 0.007 0.000 0.266 418 G HA3 0.330 4.294 3.960 0.007 0.000 0.266 418 G C -1.412 173.542 174.900 0.090 0.000 1.312 418 G CA -0.075 45.078 45.100 0.088 0.000 0.922 418 G HN 0.812 nan 8.290 nan 0.000 0.480 419 T N -1.612 112.748 114.554 -0.323 0.000 2.711 419 T HA 0.716 5.070 4.350 0.007 0.000 0.302 419 T C -1.462 173.155 174.700 -0.138 0.000 1.373 419 T CA 0.509 62.568 62.100 -0.069 0.000 1.000 419 T CB 1.642 70.443 68.868 -0.113 0.000 1.483 419 T HN 1.079 nan 8.240 nan 0.000 0.499 420 T N 2.704 117.305 114.554 0.078 0.000 2.841 420 T HA 0.589 4.943 4.350 0.007 0.000 0.285 420 T C -0.753 174.057 174.700 0.183 0.000 0.991 420 T CA -0.595 61.585 62.100 0.133 0.000 0.966 420 T CB 0.650 69.578 68.868 0.100 0.000 0.962 420 T HN 0.435 nan 8.240 nan 0.000 0.438 421 I N 4.059 124.709 120.570 0.133 0.000 2.331 421 I HA 0.353 4.527 4.170 0.007 0.000 0.292 421 I C 0.420 176.579 176.117 0.070 0.000 0.998 421 I CA -0.808 60.522 61.300 0.050 0.000 1.267 421 I CB 0.759 38.761 38.000 0.005 0.000 1.386 421 I HN 0.510 nan 8.210 nan 0.000 0.476 422 L N 7.287 128.503 121.223 -0.013 0.000 2.456 422 L HA 0.337 4.682 4.340 0.007 0.000 0.257 422 L C -2.061 174.804 176.870 -0.008 0.000 1.162 422 L CA -1.677 53.134 54.840 -0.047 0.000 0.808 422 L CB 0.218 42.133 42.059 -0.240 0.000 1.136 422 L HN 0.283 nan 8.230 nan 0.000 0.466 423 P HA 0.061 nan 4.420 nan 0.000 0.268 423 P C 0.639 177.938 177.300 -0.003 0.000 1.205 423 P CA 0.621 63.729 63.100 0.012 0.000 0.771 423 P CB 0.744 32.453 31.700 0.014 0.000 0.858 424 G N 1.215 110.020 108.800 0.007 0.000 2.205 424 G HA2 -0.298 3.666 3.960 0.007 0.000 0.261 424 G HA3 -0.298 3.666 3.960 0.007 0.000 0.261 424 G C 0.260 175.169 174.900 0.015 0.000 0.980 424 G CA 0.044 45.148 45.100 0.007 0.000 0.632 424 G HN 0.670 nan 8.290 nan 0.000 0.533 425 Q N 0.728 120.538 119.800 0.017 0.000 2.293 425 Q HA 0.649 4.993 4.340 0.007 0.000 0.251 425 Q C 0.500 176.533 176.000 0.055 0.000 0.930 425 Q CA 0.086 55.914 55.803 0.041 0.000 0.893 425 Q CB 0.854 29.613 28.738 0.035 0.000 1.215 425 Q HN 0.863 nan 8.270 nan 0.000 0.425 426 A N 4.772 127.646 122.820 0.089 0.000 2.363 426 A HA 0.386 4.710 4.320 0.007 0.000 0.270 426 A C -0.340 177.339 177.584 0.159 0.000 1.121 426 A CA -0.508 51.588 52.037 0.098 0.000 0.800 426 A CB 0.241 19.298 19.000 0.095 0.000 1.052 426 A HN 0.821 nan 8.150 nan 0.000 0.493 427 I N 2.619 123.266 120.570 0.127 0.000 2.371 427 I HA 0.293 4.468 4.170 0.007 0.000 0.290 427 I C 0.994 177.235 176.117 0.207 0.000 1.028 427 I CA 0.062 61.483 61.300 0.202 0.000 1.345 427 I CB 1.337 39.411 38.000 0.123 0.000 1.407 427 I HN 0.832 nan 8.210 nan 0.000 0.501 428 T N 0.229 114.991 114.554 0.347 0.000 2.927 428 T HA 0.279 4.633 4.350 0.007 0.000 0.286 428 T C 0.516 175.113 174.700 -0.171 0.000 1.040 428 T CA -0.636 61.459 62.100 -0.010 0.000 1.010 428 T CB 1.152 69.957 68.868 -0.105 0.000 1.177 428 T HN 0.589 nan 8.240 nan 0.000 0.546 429 W N 0.133 121.212 121.300 -0.369 0.000 2.363 429 W HA 0.012 4.676 4.660 0.007 0.000 0.296 429 W C 2.143 178.284 176.519 -0.629 0.000 1.212 429 W CA 1.329 58.303 57.345 -0.618 0.000 1.260 429 W CB -0.195 28.700 29.460 -0.943 0.000 1.131 429 W HN 0.891 nan 8.180 nan 0.000 0.530 430 D N -1.382 118.854 120.400 -0.272 0.000 2.149 430 D HA -0.210 4.435 4.640 0.007 0.000 0.198 430 D C 1.671 177.887 176.300 -0.139 0.000 0.990 430 D CA 1.731 55.614 54.000 -0.195 0.000 0.839 430 D CB -0.189 40.415 40.800 -0.327 0.000 0.948 430 D HN 0.264 nan 8.370 nan 0.000 0.460 431 H N -0.692 118.322 119.070 -0.093 0.000 2.357 431 H HA 0.013 4.573 4.556 0.007 0.000 0.301 431 H C 2.197 177.455 175.328 -0.117 0.000 1.082 431 H CA 0.832 56.792 56.048 -0.147 0.000 1.342 431 H CB 0.026 29.736 29.762 -0.086 0.000 1.389 431 H HN 0.114 nan 8.280 nan 0.000 0.511 432 L N -0.078 121.152 121.223 0.012 0.000 2.042 432 L HA -0.249 4.095 4.340 0.007 0.000 0.210 432 L C 1.945 178.901 176.870 0.144 0.000 1.076 432 L CA 1.227 56.094 54.840 0.045 0.000 0.749 432 L CB -0.476 41.446 42.059 -0.229 0.000 0.893 432 L HN 0.371 nan 8.230 nan 0.000 0.432 433 Y N -0.154 120.227 120.300 0.134 0.000 2.242 433 Y HA -0.101 4.453 4.550 0.007 0.000 0.291 433 Y C 2.638 178.588 175.900 0.083 0.000 1.137 433 Y CA 0.564 58.714 58.100 0.083 0.000 1.181 433 Y CB -0.999 37.441 38.460 -0.033 0.000 0.989 433 Y HN 0.098 nan 8.280 nan 0.000 0.527 434 A N -1.122 121.780 122.820 0.138 0.000 1.969 434 A HA -0.172 4.152 4.320 0.007 0.000 0.218 434 A C 1.683 179.351 177.584 0.140 0.000 1.169 434 A CA 1.487 53.536 52.037 0.019 0.000 0.635 434 A CB -0.858 18.042 19.000 -0.167 0.000 0.810 434 A HN 0.458 nan 8.150 nan 0.000 0.445 435 Y N -0.112 120.245 120.300 0.095 0.000 2.389 435 Y HA 0.034 4.589 4.550 0.007 0.000 0.292 435 Y C 2.383 178.456 175.900 0.288 0.000 1.117 435 Y CA 1.495 59.575 58.100 -0.033 0.000 1.195 435 Y CB 0.092 38.227 38.460 -0.543 0.000 1.076 435 Y HN 0.401 nan 8.280 nan 0.000 0.548 436 T N -4.053 110.903 114.554 0.670 0.000 3.231 436 T HA 0.291 4.645 4.350 0.007 0.000 0.292 436 T C 1.266 176.528 174.700 0.936 0.000 1.001 436 T CA 0.106 62.714 62.100 0.846 0.000 0.920 436 T CB -0.175 69.115 68.868 0.705 0.000 1.140 436 T HN 0.175 nan 8.240 nan 0.000 0.525 437 G N 1.427 110.628 108.800 0.669 0.000 3.263 437 G HA2 0.388 4.353 3.960 0.007 0.000 0.246 437 G HA3 0.388 4.353 3.960 0.007 0.000 0.246 437 G C -0.251 174.777 174.900 0.214 0.000 0.982 437 G CA -0.463 44.888 45.100 0.417 0.000 1.897 437 G HN 0.514 nan 8.290 nan 0.000 0.624 438 F N -0.011 120.195 119.950 0.427 0.000 2.382 438 F HA 0.227 4.758 4.527 0.007 0.000 0.331 438 F C 2.123 178.073 175.800 0.250 0.000 1.121 438 F CA -0.033 58.121 58.000 0.257 0.000 1.183 438 F CB 1.268 40.299 39.000 0.052 0.000 1.207 438 F HN 0.186 nan 8.300 nan 0.000 0.555 439 T N -2.177 112.666 114.554 0.483 0.000 3.085 439 T HA -0.090 4.264 4.350 0.007 0.000 0.263 439 T C 0.019 175.100 174.700 0.635 0.000 1.127 439 T CA 0.637 63.027 62.100 0.483 0.000 1.103 439 T CB -0.778 68.321 68.868 0.386 0.000 0.921 439 T HN 0.547 nan 8.240 nan 0.000 0.510 440 Y N -0.189 120.472 120.300 0.602 0.000 2.747 440 Y HA 0.590 5.144 4.550 0.007 0.000 0.362 440 Y C -2.476 173.655 175.900 0.385 0.000 1.026 440 Y CA -3.018 55.360 58.100 0.462 0.000 1.135 440 Y CB 0.916 39.652 38.460 0.459 0.000 1.175 440 Y HN -0.056 nan 8.280 nan 0.000 0.643 441 P HA 0.075 nan 4.420 nan 0.000 0.255 441 P C -0.505 176.785 177.300 -0.017 0.000 1.248 441 P CA 0.107 63.286 63.100 0.133 0.000 0.807 441 P CB 0.441 32.203 31.700 0.103 0.000 1.150 442 E N 0.710 120.910 120.200 -0.001 0.000 2.529 442 E HA 0.077 4.431 4.350 0.007 0.000 0.259 442 E C -0.001 176.443 176.600 -0.260 0.000 0.966 442 E CA 0.147 56.425 56.400 -0.203 0.000 0.937 442 E CB -0.007 29.478 29.700 -0.358 0.000 0.923 442 E HN 0.052 nan 8.360 nan 0.000 0.468 443 L N 4.679 125.761 121.223 -0.234 0.000 2.276 443 L HA 0.319 4.664 4.340 0.007 0.000 0.286 443 L C -1.520 175.268 176.870 -0.137 0.000 1.061 443 L CA -0.241 54.546 54.840 -0.089 0.000 0.807 443 L CB 0.163 42.183 42.059 -0.066 0.000 1.177 443 L HN 0.398 nan 8.230 nan 0.000 0.429 444 Y N 5.126 125.556 120.300 0.216 0.000 2.387 444 Y HA 0.615 5.169 4.550 0.007 0.000 0.336 444 Y C -0.563 175.394 175.900 0.095 0.000 1.067 444 Y CA -0.697 57.575 58.100 0.287 0.000 1.114 444 Y CB 1.649 40.310 38.460 0.336 0.000 1.208 444 Y HN 0.390 nan 8.280 nan 0.000 0.458 445 L N 5.288 126.540 121.223 0.047 0.000 2.333 445 L HA 0.603 4.947 4.340 0.007 0.000 0.280 445 L C -0.994 175.846 176.870 -0.050 0.000 1.004 445 L CA -0.875 53.744 54.840 -0.367 0.000 0.820 445 L CB 0.509 42.021 42.059 -0.912 0.000 1.247 445 L HN 0.553 nan 8.230 nan 0.000 0.416 446 F N 1.063 120.880 119.950 -0.221 0.000 2.719 446 F HA 0.575 5.106 4.527 0.007 0.000 0.309 446 F C -1.472 174.167 175.800 -0.268 0.000 1.138 446 F CA -1.457 56.437 58.000 -0.177 0.000 0.943 446 F CB 0.836 39.809 39.000 -0.045 0.000 1.304 446 F HN 0.169 nan 8.300 nan 0.000 0.445 447 Y N 2.016 122.427 120.300 0.184 0.000 2.299 447 Y HA 0.719 5.273 4.550 0.007 0.000 0.326 447 Y C -0.137 175.891 175.900 0.212 0.000 1.164 447 Y CA -0.600 57.572 58.100 0.120 0.000 1.234 447 Y CB 1.284 39.795 38.460 0.086 0.000 1.219 447 Y HN 0.509 nan 8.280 nan 0.000 0.497 448 L N 3.417 124.835 121.223 0.325 0.000 2.401 448 L HA 0.562 4.907 4.340 0.007 0.000 0.266 448 L C -0.377 176.660 176.870 0.278 0.000 0.991 448 L CA -1.082 53.921 54.840 0.271 0.000 0.818 448 L CB 2.228 44.423 42.059 0.227 0.000 1.321 448 L HN 0.559 nan 8.230 nan 0.000 0.413 449 R N 0.541 121.163 120.500 0.204 0.000 2.641 449 R HA 0.185 4.529 4.340 0.007 0.000 0.269 449 R C 1.268 177.715 176.300 0.245 0.000 1.074 449 R CA 0.334 56.555 56.100 0.201 0.000 1.133 449 R CB 0.654 31.023 30.300 0.115 0.000 1.029 449 R HN 0.879 nan 8.270 nan 0.000 0.488 450 G N 1.217 110.220 108.800 0.337 0.000 2.505 450 G HA2 -0.367 3.597 3.960 0.007 0.000 0.220 450 G HA3 -0.367 3.597 3.960 0.007 0.000 0.220 450 G C 1.360 176.321 174.900 0.101 0.000 1.145 450 G CA 1.100 46.359 45.100 0.266 0.000 0.761 450 G HN 0.687 nan 8.290 nan 0.000 0.571 451 A N 0.172 123.048 122.820 0.093 0.000 1.972 451 A HA -0.090 4.235 4.320 0.007 0.000 0.219 451 A C 2.344 179.949 177.584 0.034 0.000 1.169 451 A CA 1.934 54.000 52.037 0.049 0.000 0.635 451 A CB -0.355 18.670 19.000 0.041 0.000 0.810 451 A HN 0.503 nan 8.150 nan 0.000 0.446 452 Q N -0.613 119.216 119.800 0.049 0.000 2.119 452 Q HA -0.062 4.283 4.340 0.007 0.000 0.201 452 Q C 2.016 178.031 176.000 0.025 0.000 0.972 452 Q CA 1.324 57.145 55.803 0.030 0.000 0.847 452 Q CB -0.294 28.470 28.738 0.044 0.000 0.903 452 Q HN 0.745 nan 8.270 nan 0.000 0.433 453 I N 0.912 121.512 120.570 0.050 0.000 2.127 453 I HA -0.319 3.855 4.170 0.007 0.000 0.241 453 I C 2.503 178.630 176.117 0.016 0.000 1.075 453 I CA 1.311 62.658 61.300 0.079 0.000 1.334 453 I CB -0.241 37.769 38.000 0.016 0.000 1.040 453 I HN 0.125 nan 8.210 nan 0.000 0.405 454 K N 1.185 121.569 120.400 -0.026 0.000 2.057 454 K HA -0.180 4.144 4.320 0.007 0.000 0.207 454 K C 2.142 178.719 176.600 -0.039 0.000 1.049 454 K CA 1.577 57.832 56.287 -0.053 0.000 0.931 454 K CB -0.162 32.316 32.500 -0.037 0.000 0.714 454 K HN 0.308 nan 8.250 nan 0.000 0.440 455 A N 0.269 123.078 122.820 -0.017 0.000 1.930 455 A HA -0.087 4.237 4.320 0.007 0.000 0.217 455 A C 2.232 179.804 177.584 -0.020 0.000 1.175 455 A CA 1.458 53.485 52.037 -0.016 0.000 0.627 455 A CB -0.577 18.415 19.000 -0.013 0.000 0.815 455 A HN 0.173 nan 8.150 nan 0.000 0.443 456 V N 0.072 119.974 119.914 -0.020 0.000 2.295 456 V HA -0.262 3.862 4.120 0.007 0.000 0.246 456 V C 2.580 178.674 176.094 -0.000 0.000 1.049 456 V CA 2.065 64.352 62.300 -0.022 0.000 1.024 456 V CB -0.609 31.189 31.823 -0.042 0.000 0.648 456 V HN 0.592 nan 8.190 nan 0.000 0.447 457 L N -0.469 120.744 121.223 -0.016 0.000 2.056 457 L HA -0.179 4.165 4.340 0.007 0.000 0.207 457 L C 2.608 179.464 176.870 -0.025 0.000 1.078 457 L CA 1.770 56.569 54.840 -0.068 0.000 0.749 457 L CB -0.528 41.361 42.059 -0.283 0.000 0.901 457 L HN 0.351 nan 8.230 nan 0.000 0.433 458 E N 0.409 120.595 120.200 -0.023 0.000 2.110 458 E HA -0.270 4.084 4.350 0.007 0.000 0.193 458 E C 1.698 178.316 176.600 0.031 0.000 0.988 458 E CA 1.538 57.948 56.400 0.017 0.000 0.804 458 E CB -0.069 29.634 29.700 0.005 0.000 0.745 458 E HN 0.354 nan 8.360 nan 0.000 0.458 459 D N -0.414 119.991 120.400 0.008 0.000 2.097 459 D HA -0.124 4.520 4.640 0.007 0.000 0.195 459 D C 1.892 178.195 176.300 0.005 0.000 0.989 459 D CA 1.342 55.342 54.000 -0.000 0.000 0.827 459 D CB -0.170 40.619 40.800 -0.019 0.000 0.966 459 D HN 0.309 nan 8.370 nan 0.000 0.456 460 I N 0.562 121.139 120.570 0.012 0.000 2.179 460 I HA -0.241 3.933 4.170 0.007 0.000 0.242 460 I C 2.532 178.654 176.117 0.008 0.000 1.088 460 I CA 1.155 62.460 61.300 0.007 0.000 1.357 460 I CB -0.363 37.655 38.000 0.029 0.000 1.051 460 I HN 0.028 nan 8.210 nan 0.000 0.409 461 A N 0.711 123.587 122.820 0.093 0.000 1.940 461 A HA -0.252 4.072 4.320 0.007 0.000 0.219 461 A C 2.494 180.200 177.584 0.203 0.000 1.176 461 A CA 2.326 54.509 52.037 0.242 0.000 0.631 461 A CB -0.897 18.317 19.000 0.358 0.000 0.814 461 A HN 0.550 nan 8.150 nan 0.000 0.446 462 S N -0.416 115.350 115.700 0.111 0.000 2.423 462 S HA -0.159 4.315 4.470 0.007 0.000 0.231 462 S C 1.673 176.296 174.600 0.038 0.000 1.014 462 S CA 1.401 59.651 58.200 0.083 0.000 0.965 462 S CB -0.646 62.578 63.200 0.041 0.000 0.785 462 S HN 0.685 nan 8.310 nan 0.000 0.495 463 N N 0.737 119.432 118.700 -0.009 0.000 2.132 463 N HA 0.025 4.769 4.740 0.007 0.000 0.187 463 N C 1.543 177.016 175.510 -0.063 0.000 1.038 463 N CA 1.255 54.281 53.050 -0.039 0.000 0.846 463 N CB -0.175 38.278 38.487 -0.056 0.000 1.012 463 N HN 0.213 nan 8.380 nan 0.000 0.429 464 V N -0.105 119.698 119.914 -0.185 0.000 2.626 464 V HA -0.111 4.013 4.120 0.007 0.000 0.252 464 V C 0.371 176.199 176.094 -0.444 0.000 1.067 464 V CA 1.336 63.400 62.300 -0.393 0.000 1.081 464 V CB -0.471 30.932 31.823 -0.701 0.000 0.686 464 V HN 0.324 nan 8.190 nan 0.000 0.468 465 F N -1.009 119.004 119.950 0.105 0.000 2.698 465 F HA 0.303 4.834 4.527 0.007 0.000 0.304 465 F C 1.147 176.992 175.800 0.075 0.000 1.108 465 F CA -0.606 57.448 58.000 0.091 0.000 1.263 465 F CB -0.369 38.678 39.000 0.077 0.000 1.013 465 F HN -0.140 nan 8.300 nan 0.000 0.532 466 T N 0.367 115.038 114.554 0.196 0.000 2.831 466 T HA -0.021 4.334 4.350 0.007 0.000 0.291 466 T C 1.629 176.429 174.700 0.167 0.000 0.981 466 T CA 0.812 63.010 62.100 0.163 0.000 1.174 466 T CB 0.584 69.529 68.868 0.129 0.000 0.929 466 T HN 0.464 nan 8.240 nan 0.000 0.532 467 S N 4.035 119.821 115.700 0.143 0.000 2.359 467 S HA -0.174 4.300 4.470 0.007 0.000 0.222 467 S C 0.942 175.628 174.600 0.143 0.000 1.038 467 S CA 1.161 59.433 58.200 0.119 0.000 1.051 467 S CB -0.605 62.651 63.200 0.093 0.000 0.944 467 S HN 0.865 nan 8.310 nan 0.000 0.433 468 D N 3.314 123.823 120.400 0.181 0.000 2.854 468 D HA 0.020 4.664 4.640 0.007 0.000 0.243 468 D C -1.656 174.790 176.300 0.243 0.000 1.243 468 D CA -0.967 53.179 54.000 0.243 0.000 0.883 468 D CB 0.978 42.007 40.800 0.383 0.000 1.145 468 D HN 0.197 nan 8.370 nan 0.000 0.555 469 P HA -0.107 nan 4.420 nan 0.000 0.220 469 P C 1.345 178.725 177.300 0.134 0.000 1.148 469 P CA 0.586 63.779 63.100 0.156 0.000 0.803 469 P CB -0.061 31.719 31.700 0.134 0.000 0.782 470 F N -1.265 118.657 119.950 -0.046 0.000 2.293 470 F HA -0.125 4.407 4.527 0.007 0.000 0.300 470 F C 0.899 176.480 175.800 -0.366 0.000 1.086 470 F CA 1.107 58.954 58.000 -0.254 0.000 1.375 470 F CB -0.077 38.663 39.000 -0.433 0.000 1.045 470 F HN -0.110 nan 8.300 nan 0.000 0.516 471 Y N 1.242 121.589 120.300 0.078 0.000 2.708 471 Y HA 0.208 4.762 4.550 0.007 0.000 0.287 471 Y C 0.647 176.568 175.900 0.035 0.000 1.145 471 Y CA -0.836 57.266 58.100 0.004 0.000 1.249 471 Y CB -1.057 37.454 38.460 0.085 0.000 1.152 471 Y HN 0.140 nan 8.280 nan 0.000 0.532 472 Q N -0.250 119.630 119.800 0.133 0.000 1.715 472 Q HA -0.373 3.971 4.340 0.007 0.000 0.433 472 Q C 0.757 176.886 176.000 0.216 0.000 0.895 472 Q CA 2.158 58.068 55.803 0.177 0.000 0.712 472 Q CB -0.776 28.053 28.738 0.152 0.000 4.301 472 Q HN 0.566 nan 8.270 nan 0.000 0.726 473 Q N -0.703 119.231 119.800 0.223 0.000 1.985 473 Q HA 0.325 4.669 4.340 0.007 0.000 0.221 473 Q C 0.472 176.609 176.000 0.229 0.000 0.728 473 Q CA 0.373 56.312 55.803 0.227 0.000 0.882 473 Q CB 1.487 30.344 28.738 0.198 0.000 1.203 473 Q HN 0.868 nan 8.270 nan 0.000 0.441 474 G N 0.292 109.229 108.800 0.229 0.000 2.593 474 G HA2 0.095 4.060 3.960 0.007 0.000 0.237 474 G HA3 0.095 4.060 3.960 0.007 0.000 0.237 474 G C 0.182 175.125 174.900 0.071 0.000 1.312 474 G CA -0.450 44.763 45.100 0.188 0.000 0.896 474 G HN 1.022 nan 8.290 nan 0.000 0.574 475 G N -1.748 107.071 108.800 0.032 0.000 2.440 475 G HA2 0.479 4.443 3.960 0.007 0.000 0.684 475 G HA3 0.479 4.443 3.960 0.007 0.000 0.684 475 G C -0.882 174.000 174.900 -0.030 0.000 1.309 475 G CA 0.488 45.594 45.100 0.010 0.000 0.931 475 G HN 1.443 nan 8.290 nan 0.000 0.612 476 D N -0.719 119.679 120.400 -0.003 0.000 2.294 476 D HA 0.500 5.144 4.640 0.007 0.000 0.250 476 D C 0.455 176.770 176.300 0.023 0.000 1.058 476 D CA -0.311 53.699 54.000 0.017 0.000 0.950 476 D CB 1.864 42.688 40.800 0.040 0.000 1.158 476 D HN 0.416 nan 8.370 nan 0.000 0.453 477 V N 1.249 121.207 119.914 0.072 0.000 2.439 477 V HA 0.128 4.252 4.120 0.007 0.000 0.282 477 V C 0.562 176.726 176.094 0.115 0.000 1.039 477 V CA -0.697 61.667 62.300 0.107 0.000 0.913 477 V CB 1.367 33.312 31.823 0.204 0.000 0.983 477 V HN 0.488 nan 8.190 nan 0.000 0.460 478 S N 4.361 120.128 115.700 0.111 0.000 2.558 478 S HA 0.141 4.615 4.470 0.007 0.000 0.293 478 S C 0.245 174.910 174.600 0.109 0.000 1.292 478 S CA -0.152 58.117 58.200 0.115 0.000 1.063 478 S CB 0.004 63.313 63.200 0.181 0.000 0.831 478 S HN 0.623 nan 8.310 nan 0.000 0.499 479 R N 1.709 122.244 120.500 0.058 0.000 2.254 479 R HA 0.440 4.784 4.340 0.007 0.000 0.318 479 R C -0.959 175.319 176.300 -0.036 0.000 1.031 479 R CA -0.326 55.796 56.100 0.036 0.000 0.905 479 R CB 0.664 30.954 30.300 -0.018 0.000 1.050 479 R HN 0.351 nan 8.270 nan 0.000 0.456 480 V N 4.747 124.614 119.914 -0.077 0.000 2.284 480 V HA 0.253 4.377 4.120 0.007 0.000 0.274 480 V C -0.636 175.368 176.094 -0.150 0.000 1.023 480 V CA -0.773 61.337 62.300 -0.316 0.000 0.808 480 V CB 0.202 31.671 31.823 -0.590 0.000 1.035 480 V HN 0.565 nan 8.190 nan 0.000 0.445 481 F N 3.956 123.760 119.950 -0.244 0.000 2.467 481 F HA 0.629 5.160 4.527 0.007 0.000 0.362 481 F C 1.183 176.871 175.800 -0.186 0.000 1.090 481 F CA 0.979 58.876 58.000 -0.172 0.000 1.202 481 F CB 1.034 39.936 39.000 -0.163 0.000 1.113 481 F HN 0.709 nan 8.300 nan 0.000 0.541 482 G N 4.410 112.750 108.800 -0.766 0.000 2.192 482 G HA2 -0.082 3.882 3.960 0.007 0.000 0.193 482 G HA3 -0.082 3.882 3.960 0.007 0.000 0.193 482 G C -0.932 173.754 174.900 -0.357 0.000 0.999 482 G CA -0.046 44.703 45.100 -0.585 0.000 0.659 482 G HN 1.175 nan 8.290 nan 0.000 0.503 483 L N -2.588 118.459 121.223 -0.294 0.000 2.403 483 L HA 1.061 5.405 4.340 0.007 0.000 0.253 483 L C -0.494 176.316 176.870 -0.100 0.000 1.045 483 L CA -2.039 52.687 54.840 -0.189 0.000 0.845 483 L CB 1.122 43.061 42.059 -0.201 0.000 1.447 483 L HN 0.112 nan 8.230 nan 0.000 0.411 484 R N 0.070 120.547 120.500 -0.039 0.000 2.725 484 R HA 0.804 5.148 4.340 0.007 0.000 0.277 484 R C -1.808 174.553 176.300 0.102 0.000 0.987 484 R CA -0.612 55.477 56.100 -0.017 0.000 0.901 484 R CB 2.403 32.651 30.300 -0.086 0.000 1.207 484 R HN 0.883 nan 8.270 nan 0.000 0.463 485 Y N -2.379 117.859 120.300 -0.104 0.000 2.725 485 Y HA 0.688 5.242 4.550 0.007 0.000 0.333 485 Y C -1.675 174.177 175.900 -0.080 0.000 1.242 485 Y CA -1.294 56.757 58.100 -0.081 0.000 1.059 485 Y CB 1.011 39.432 38.460 -0.065 0.000 1.306 485 Y HN 0.183 nan 8.280 nan 0.000 0.454 486 V N 2.766 122.700 119.914 0.033 0.000 2.459 486 V HA 0.538 4.662 4.120 0.007 0.000 0.295 486 V C -0.986 175.132 176.094 0.040 0.000 1.029 486 V CA -0.569 61.693 62.300 -0.063 0.000 0.874 486 V CB 1.340 33.148 31.823 -0.024 0.000 0.985 486 V HN 0.713 nan 8.190 nan 0.000 0.438 487 L N 4.137 125.319 121.223 -0.068 0.000 2.362 487 L HA 0.732 5.076 4.340 0.007 0.000 0.275 487 L C -0.892 175.935 176.870 -0.072 0.000 0.998 487 L CA 0.049 54.894 54.840 0.010 0.000 0.820 487 L CB 1.893 43.956 42.059 0.007 0.000 1.270 487 L HN 0.656 nan 8.230 nan 0.000 0.415 488 D N 6.375 126.739 120.400 -0.061 0.000 2.446 488 D HA 0.423 5.068 4.640 0.007 0.000 0.251 488 D C -2.039 174.170 176.300 -0.152 0.000 1.137 488 D CA -2.104 51.839 54.000 -0.095 0.000 0.890 488 D CB 1.963 42.735 40.800 -0.047 0.000 1.071 488 D HN 0.337 nan 8.370 nan 0.000 0.528 489 P HA -0.053 nan 4.420 nan 0.000 0.222 489 P C 0.352 177.560 177.300 -0.154 0.000 1.147 489 P CA 0.786 63.612 63.100 -0.456 0.000 0.790 489 P CB 0.570 31.829 31.700 -0.735 0.000 0.780 490 D N -0.794 119.550 120.400 -0.094 0.000 2.350 490 D HA 0.145 4.789 4.640 0.007 0.000 0.213 490 D C 1.067 177.364 176.300 -0.004 0.000 1.031 490 D CA 0.093 54.075 54.000 -0.029 0.000 0.861 490 D CB 0.216 40.999 40.800 -0.027 0.000 0.926 490 D HN 0.109 nan 8.370 nan 0.000 0.520 491 A N 1.936 124.751 122.820 -0.009 0.000 2.346 491 A HA 0.381 4.705 4.320 0.007 0.000 0.252 491 A C -2.215 175.385 177.584 0.026 0.000 1.089 491 A CA -0.812 51.230 52.037 0.008 0.000 0.797 491 A CB -0.148 18.856 19.000 0.006 0.000 1.047 491 A HN -0.106 nan 8.150 nan 0.000 0.494 492 P HA 0.189 nan 4.420 nan 0.000 0.272 492 P C -0.154 177.169 177.300 0.037 0.000 1.230 492 P CA -0.036 63.083 63.100 0.032 0.000 0.788 492 P CB 0.243 31.957 31.700 0.023 0.000 0.949 493 T N 1.662 116.240 114.554 0.039 0.000 2.908 493 T HA 0.325 4.679 4.350 0.007 0.000 0.301 493 T C 1.351 176.067 174.700 0.027 0.000 1.019 493 T CA 1.727 63.850 62.100 0.039 0.000 1.152 493 T CB -0.522 68.363 68.868 0.029 0.000 0.966 493 T HN 0.803 nan 8.240 nan 0.000 0.540 494 G N 3.454 112.271 108.800 0.028 0.000 2.213 494 G HA2 -0.193 3.771 3.960 0.007 0.000 0.226 494 G HA3 -0.193 3.771 3.960 0.007 0.000 0.226 494 G C 0.344 175.257 174.900 0.021 0.000 0.992 494 G CA 0.198 45.309 45.100 0.019 0.000 0.632 494 G HN 0.707 nan 8.290 nan 0.000 0.511 495 E N -0.671 119.545 120.200 0.027 0.000 2.714 495 E HA 0.265 4.619 4.350 0.007 0.000 0.219 495 E C 1.910 178.529 176.600 0.030 0.000 0.979 495 E CA -0.536 55.879 56.400 0.024 0.000 1.092 495 E CB 0.515 30.226 29.700 0.018 0.000 1.049 495 E HN 0.368 nan 8.360 nan 0.000 0.487 496 R N 0.486 121.013 120.500 0.045 0.000 2.161 496 R HA 0.090 4.434 4.340 0.007 0.000 0.213 496 R C 0.460 176.808 176.300 0.079 0.000 1.055 496 R CA 0.586 56.720 56.100 0.055 0.000 0.996 496 R CB 0.554 30.908 30.300 0.090 0.000 0.901 496 R HN -0.086 nan 8.270 nan 0.000 0.456 497 V N 2.669 122.629 119.914 0.076 0.000 2.384 497 V HA 0.335 4.459 4.120 0.007 0.000 0.287 497 V C -0.208 175.927 176.094 0.068 0.000 1.020 497 V CA -0.756 61.603 62.300 0.098 0.000 0.850 497 V CB 1.361 33.181 31.823 -0.004 0.000 0.987 497 V HN 0.307 nan 8.190 nan 0.000 0.436 498 R N 2.333 122.893 120.500 0.099 0.000 2.817 498 R HA 0.623 4.968 4.340 0.007 0.000 0.268 498 R C -0.641 175.698 176.300 0.065 0.000 1.027 498 R CA -0.834 55.301 56.100 0.057 0.000 0.928 498 R CB 1.204 31.525 30.300 0.035 0.000 1.228 498 R HN 0.455 nan 8.270 nan 0.000 0.469 499 E N -0.069 120.151 120.200 0.034 0.000 2.297 499 E HA -0.141 4.213 4.350 0.007 0.000 0.228 499 E C -0.627 175.995 176.600 0.037 0.000 1.213 499 E CA 0.806 57.221 56.400 0.024 0.000 0.712 499 E CB -1.332 28.375 29.700 0.012 0.000 1.202 499 E HN 0.377 nan 8.360 nan 0.000 0.376 500 V N 1.011 120.943 119.914 0.031 0.000 2.572 500 V HA 0.076 4.200 4.120 0.007 0.000 0.291 500 V C 0.737 176.823 176.094 -0.014 0.000 1.039 500 V CA 0.755 63.065 62.300 0.017 0.000 1.055 500 V CB 1.080 32.879 31.823 -0.040 0.000 0.969 500 V HN 0.182 nan 8.190 nan 0.000 0.482 501 E N 3.079 123.263 120.200 -0.026 0.000 2.256 501 E HA 0.537 4.891 4.350 0.007 0.000 0.268 501 E C -1.548 175.003 176.600 -0.082 0.000 0.877 501 E CA -0.645 55.730 56.400 -0.042 0.000 0.757 501 E CB 2.613 32.292 29.700 -0.034 0.000 1.183 501 E HN 0.431 nan 8.360 nan 0.000 0.418 502 V N 2.248 122.113 119.914 -0.081 0.000 2.334 502 V HA 0.415 4.540 4.120 0.007 0.000 0.281 502 V C 0.847 176.913 176.094 -0.047 0.000 1.016 502 V CA 0.032 62.267 62.300 -0.109 0.000 0.832 502 V CB 1.039 32.754 31.823 -0.180 0.000 0.999 502 V HN 1.016 nan 8.190 nan 0.000 0.439 503 G N 3.924 112.669 108.800 -0.093 0.000 2.273 503 G HA2 0.038 4.002 3.960 0.007 0.000 0.280 503 G HA3 0.038 4.002 3.960 0.007 0.000 0.280 503 G C 1.156 176.025 174.900 -0.051 0.000 1.047 503 G CA 0.669 45.722 45.100 -0.079 0.000 0.869 503 G HN 2.197 nan 8.290 nan 0.000 0.502 504 G N -1.681 107.085 108.800 -0.056 0.000 2.234 504 G HA2 -0.286 3.679 3.960 0.007 0.000 0.260 504 G HA3 -0.286 3.679 3.960 0.007 0.000 0.260 504 G C 0.487 175.374 174.900 -0.021 0.000 0.987 504 G CA 1.004 46.080 45.100 -0.040 0.000 0.625 504 G HN 1.042 nan 8.290 nan 0.000 0.532 505 R N 0.849 121.345 120.500 -0.006 0.000 2.532 505 R HA 0.484 4.828 4.340 0.007 0.000 0.295 505 R C -2.615 173.697 176.300 0.021 0.000 0.968 505 R CA -2.003 54.105 56.100 0.013 0.000 0.916 505 R CB 1.265 31.584 30.300 0.032 0.000 1.124 505 R HN 0.052 nan 8.270 nan 0.000 0.463 506 P HA -0.086 nan 4.420 nan 0.000 0.267 506 P C -0.551 176.780 177.300 0.051 0.000 1.200 506 P CA -0.291 62.822 63.100 0.022 0.000 0.772 506 P CB 0.420 32.132 31.700 0.021 0.000 0.855 507 L N 3.139 124.381 121.223 0.032 0.000 2.499 507 L HA 0.099 4.443 4.340 0.007 0.000 0.273 507 L C 0.199 177.140 176.870 0.118 0.000 1.195 507 L CA 0.623 55.496 54.840 0.055 0.000 0.882 507 L CB -0.316 41.726 42.059 -0.029 0.000 1.133 507 L HN 0.244 nan 8.230 nan 0.000 0.483 508 D N 7.152 127.695 120.400 0.239 0.000 2.443 508 D HA 0.293 4.937 4.640 0.007 0.000 0.221 508 D C -1.766 174.648 176.300 0.190 0.000 1.097 508 D CA -2.235 51.866 54.000 0.168 0.000 0.865 508 D CB 1.506 42.375 40.800 0.116 0.000 1.034 508 D HN 0.367 nan 8.370 nan 0.000 0.511 509 P HA -0.149 nan 4.420 nan 0.000 0.218 509 P C 0.204 177.561 177.300 0.095 0.000 1.146 509 P CA 1.144 64.303 63.100 0.098 0.000 0.813 509 P CB 0.340 32.073 31.700 0.055 0.000 0.778 510 N N -1.771 116.970 118.700 0.068 0.000 2.236 510 N HA 0.035 4.779 4.740 0.007 0.000 0.196 510 N C 0.866 176.383 175.510 0.012 0.000 1.114 510 N CA -0.310 52.762 53.050 0.037 0.000 0.859 510 N CB 0.121 38.616 38.487 0.013 0.000 0.982 510 N HN -0.065 nan 8.380 nan 0.000 0.493 511 R N 1.886 122.390 120.500 0.007 0.000 2.441 511 R HA 0.237 4.582 4.340 0.007 0.000 0.284 511 R C -0.297 175.924 176.300 -0.132 0.000 1.070 511 R CA -0.133 55.878 56.100 -0.148 0.000 1.047 511 R CB 0.534 30.621 30.300 -0.354 0.000 1.016 511 R HN 0.131 nan 8.270 nan 0.000 0.477 512 R N 3.535 123.939 120.500 -0.160 0.000 2.254 512 R HA 0.196 4.540 4.340 0.007 0.000 0.318 512 R C -0.840 175.433 176.300 -0.044 0.000 1.031 512 R CA -0.200 55.895 56.100 -0.008 0.000 0.905 512 R CB 0.799 31.067 30.300 -0.054 0.000 1.050 512 R HN 0.468 nan 8.270 nan 0.000 0.456 513 Y N 1.673 122.080 120.300 0.178 0.000 2.409 513 Y HA 0.250 4.804 4.550 0.007 0.000 0.339 513 Y C 0.076 176.048 175.900 0.120 0.000 1.033 513 Y CA -1.097 57.084 58.100 0.135 0.000 1.094 513 Y CB 1.509 40.006 38.460 0.062 0.000 1.210 513 Y HN 0.367 nan 8.280 nan 0.000 0.456 514 L N 3.404 124.710 121.223 0.138 0.000 2.313 514 L HA 0.682 5.026 4.340 0.007 0.000 0.282 514 L C -0.204 176.517 176.870 -0.248 0.000 1.092 514 L CA 0.020 54.695 54.840 -0.276 0.000 0.831 514 L CB -0.265 41.594 42.059 -0.334 0.000 1.159 514 L HN 0.712 nan 8.230 nan 0.000 0.442 515 A N 4.385 126.931 122.820 -0.458 0.000 2.322 515 A HA 0.983 5.308 4.320 0.007 0.000 0.327 515 A C -0.889 176.271 177.584 -0.707 0.000 1.134 515 A CA -0.135 51.624 52.037 -0.463 0.000 0.831 515 A CB 1.391 20.131 19.000 -0.432 0.000 1.288 515 A HN 1.047 nan 8.150 nan 0.000 0.472 516 A N -0.449 122.144 122.820 -0.379 0.000 2.435 516 A HA 0.931 5.255 4.320 0.007 0.000 0.304 516 A C -0.398 177.221 177.584 0.058 0.000 1.064 516 A CA 0.027 51.907 52.037 -0.261 0.000 0.727 516 A CB 1.443 20.333 19.000 -0.184 0.000 1.284 516 A HN 2.559 nan 8.150 nan 0.000 0.415 517 A N 0.621 123.595 122.820 0.256 0.000 2.604 517 A HA 0.843 5.167 4.320 0.007 0.000 0.295 517 A C -1.268 176.562 177.584 0.410 0.000 1.067 517 A CA -0.347 51.908 52.037 0.364 0.000 0.683 517 A CB 0.966 20.225 19.000 0.431 0.000 1.281 517 A HN 2.190 nan 8.150 nan 0.000 0.407 518 Y N -1.554 118.836 120.300 0.151 0.000 2.597 518 Y HA 0.642 5.196 4.550 0.007 0.000 0.340 518 Y C 0.699 176.541 175.900 -0.096 0.000 1.097 518 Y CA -0.607 57.524 58.100 0.052 0.000 1.037 518 Y CB 1.198 39.634 38.460 -0.039 0.000 1.305 518 Y HN 2.292 nan 8.280 nan 0.000 0.463 519 G N -0.127 108.521 108.800 -0.253 0.000 2.153 519 G HA2 0.155 4.120 3.960 0.007 0.000 0.252 519 G HA3 0.155 4.120 3.960 0.007 0.000 0.252 519 G C 0.107 175.043 174.900 0.060 0.000 0.994 519 G CA 0.484 45.185 45.100 -0.665 0.000 0.698 519 G HN 1.849 nan 8.290 nan 0.000 0.521 520 G N -1.680 107.214 108.800 0.156 0.000 2.896 520 G HA2 0.650 4.615 3.960 0.007 0.000 0.247 520 G HA3 0.650 4.615 3.960 0.007 0.000 0.247 520 G C 0.171 175.106 174.900 0.057 0.000 1.187 520 G CA 0.031 45.217 45.100 0.143 0.000 0.837 520 G HN 0.363 nan 8.290 nan 0.000 0.559 521 R N -0.726 119.744 120.500 -0.050 0.000 2.549 521 R HA 0.239 4.583 4.340 0.007 0.000 0.344 521 R C 1.770 177.920 176.300 -0.251 0.000 0.979 521 R CA -0.313 55.694 56.100 -0.154 0.000 1.140 521 R CB 0.376 30.596 30.300 -0.135 0.000 1.377 521 R HN 0.281 nan 8.270 nan 0.000 0.541 522 L N 2.527 123.608 121.223 -0.238 0.000 2.081 522 L HA -0.253 4.091 4.340 0.007 0.000 0.212 522 L C 2.435 178.910 176.870 -0.659 0.000 1.080 522 L CA 1.936 56.574 54.840 -0.337 0.000 0.754 522 L CB -0.298 41.602 42.059 -0.265 0.000 0.893 522 L HN 0.236 nan 8.230 nan 0.000 0.433 523 Q N -0.254 119.005 119.800 -0.901 0.000 2.297 523 Q HA -0.249 4.096 4.340 0.007 0.000 0.208 523 Q C 1.979 177.475 176.000 -0.840 0.000 0.981 523 Q CA 1.577 56.514 55.803 -1.443 0.000 0.876 523 Q CB -0.767 27.290 28.738 -1.135 0.000 0.921 523 Q HN 0.561 nan 8.270 nan 0.000 0.446 524 R N 0.970 121.139 120.500 -0.552 0.000 2.152 524 R HA -0.064 4.281 4.340 0.007 0.000 0.232 524 R C 2.202 178.332 176.300 -0.283 0.000 1.117 524 R CA 1.560 57.445 56.100 -0.358 0.000 0.981 524 R CB -0.338 29.801 30.300 -0.267 0.000 0.870 524 R HN 0.366 nan 8.270 nan 0.000 0.451 525 V N -2.871 116.863 119.914 -0.300 0.000 3.542 525 V HA 0.356 4.481 4.120 0.007 0.000 0.296 525 V C 0.612 176.623 176.094 -0.139 0.000 1.364 525 V CA 0.028 62.217 62.300 -0.184 0.000 1.118 525 V CB 0.275 32.014 31.823 -0.139 0.000 0.972 525 V HN 0.147 nan 8.190 nan 0.000 0.430 526 G N 0.105 108.766 108.800 -0.232 0.000 2.552 526 G HA2 0.639 4.603 3.960 0.007 0.000 0.324 526 G HA3 0.639 4.603 3.960 0.007 0.000 0.324 526 G C -0.986 173.943 174.900 0.049 0.000 1.217 526 G CA -0.795 44.299 45.100 -0.011 0.000 0.989 526 G HN 0.450 nan 8.290 nan 0.000 0.490 527 E N 0.275 120.606 120.200 0.218 0.000 2.092 527 E HA 0.462 4.816 4.350 0.007 0.000 0.271 527 E C 0.119 176.899 176.600 0.300 0.000 0.919 527 E CA -0.544 55.983 56.400 0.212 0.000 0.760 527 E CB 1.719 31.553 29.700 0.223 0.000 1.106 527 E HN 0.600 nan 8.360 nan 0.000 0.408 528 A N 4.096 127.046 122.820 0.218 0.000 2.565 528 A HA -0.052 4.273 4.320 0.007 0.000 0.237 528 A C 0.433 178.171 177.584 0.255 0.000 1.053 528 A CA 0.175 52.360 52.037 0.246 0.000 0.755 528 A CB 0.139 19.257 19.000 0.197 0.000 0.980 528 A HN 0.612 nan 8.150 nan 0.000 0.506 529 K N 3.149 123.669 120.400 0.201 0.000 2.447 529 K HA 0.201 4.526 4.320 0.007 0.000 0.281 529 K C -2.381 174.355 176.600 0.226 0.000 1.031 529 K CA -1.172 55.223 56.287 0.180 0.000 1.019 529 K CB 0.192 32.684 32.500 -0.013 0.000 0.918 529 K HN 0.408 nan 8.250 nan 0.000 0.476 530 P HA 0.082 nan 4.420 nan 0.000 0.271 530 P C 0.313 177.714 177.300 0.168 0.000 1.218 530 P CA 0.277 63.479 63.100 0.169 0.000 0.780 530 P CB 0.911 32.693 31.700 0.138 0.000 0.901 531 G N 0.636 109.520 108.800 0.139 0.000 2.234 531 G HA2 -0.297 3.667 3.960 0.007 0.000 0.260 531 G HA3 -0.297 3.667 3.960 0.007 0.000 0.260 531 G C -0.139 174.851 174.900 0.151 0.000 0.987 531 G CA 0.065 45.241 45.100 0.126 0.000 0.625 531 G HN 0.601 nan 8.290 nan 0.000 0.532 532 Y N 2.202 122.542 120.300 0.066 0.000 2.313 532 Y HA 0.608 5.162 4.550 0.007 0.000 0.332 532 Y C 0.160 176.088 175.900 0.047 0.000 1.071 532 Y CA -0.896 57.235 58.100 0.050 0.000 1.169 532 Y CB 0.919 39.386 38.460 0.011 0.000 1.192 532 Y HN 0.244 nan 8.280 nan 0.000 0.487 533 E N 8.420 128.103 120.200 -0.862 0.000 2.113 533 E HA 0.290 4.644 4.350 0.007 0.000 0.273 533 E C -2.516 173.475 176.600 -1.016 0.000 0.924 533 E CA -2.256 53.754 56.400 -0.650 0.000 0.764 533 E CB 1.007 30.520 29.700 -0.311 0.000 1.104 533 E HN 0.507 nan 8.360 nan 0.000 0.406 534 P HA -0.021 nan 4.420 nan 0.000 0.268 534 P C -0.859 176.274 177.300 -0.279 0.000 1.204 534 P CA 0.254 63.111 63.100 -0.405 0.000 0.768 534 P CB 0.476 31.965 31.700 -0.351 0.000 0.842 535 R N 2.492 122.889 120.500 -0.171 0.000 2.836 535 R HA 0.683 5.027 4.340 0.007 0.000 0.269 535 R C -3.120 173.112 176.300 -0.114 0.000 1.010 535 R CA -2.698 53.344 56.100 -0.096 0.000 0.930 535 R CB 0.376 30.661 30.300 -0.026 0.000 1.218 535 R HN 0.077 nan 8.270 nan 0.000 0.473 536 P HA -0.021 nan 4.420 nan 0.000 0.263 536 P C 0.525 177.610 177.300 -0.359 0.000 1.195 536 P CA -0.123 62.756 63.100 -0.369 0.000 0.762 536 P CB 0.362 31.707 31.700 -0.591 0.000 0.799 537 I N 5.168 125.511 120.570 -0.379 0.000 2.248 537 I HA -0.304 3.870 4.170 0.007 0.000 0.248 537 I C 1.667 177.686 176.117 -0.163 0.000 1.107 537 I CA 1.759 62.861 61.300 -0.331 0.000 1.373 537 I CB -0.864 36.730 38.000 -0.677 0.000 1.055 537 I HN 0.386 nan 8.210 nan 0.000 0.418 538 Y N -0.010 120.357 120.300 0.110 0.000 2.403 538 Y HA -0.033 4.521 4.550 0.007 0.000 0.291 538 Y C 2.088 178.074 175.900 0.143 0.000 1.143 538 Y CA 1.094 59.279 58.100 0.142 0.000 1.257 538 Y CB -1.728 36.922 38.460 0.317 0.000 0.984 538 Y HN 0.286 nan 8.280 nan 0.000 0.550 539 E N 0.706 121.117 120.200 0.351 0.000 2.107 539 E HA -0.092 4.262 4.350 0.007 0.000 0.191 539 E C 2.256 178.967 176.600 0.186 0.000 0.982 539 E CA 1.278 57.901 56.400 0.371 0.000 0.809 539 E CB -0.157 29.712 29.700 0.282 0.000 0.756 539 E HN 0.401 nan 8.360 nan 0.000 0.459 540 V N 1.768 121.748 119.914 0.109 0.000 2.343 540 V HA -0.247 3.877 4.120 0.007 0.000 0.247 540 V C 2.332 178.451 176.094 0.042 0.000 1.051 540 V CA 1.426 63.778 62.300 0.087 0.000 1.036 540 V CB -0.461 31.421 31.823 0.098 0.000 0.654 540 V HN 0.247 nan 8.190 nan 0.000 0.451 541 L N 0.147 121.370 121.223 -0.000 0.000 2.046 541 L HA -0.145 4.199 4.340 0.007 0.000 0.208 541 L C 2.762 179.606 176.870 -0.043 0.000 1.077 541 L CA 1.615 56.439 54.840 -0.027 0.000 0.747 541 L CB -0.848 41.193 42.059 -0.030 0.000 0.896 541 L HN 0.358 nan 8.230 nan 0.000 0.432 542 A N -0.194 122.536 122.820 -0.150 0.000 1.902 542 A HA -0.223 4.102 4.320 0.007 0.000 0.217 542 A C 2.169 179.726 177.584 -0.045 0.000 1.181 542 A CA 1.635 53.523 52.037 -0.248 0.000 0.623 542 A CB -0.434 18.332 19.000 -0.390 0.000 0.818 542 A HN 0.433 nan 8.150 nan 0.000 0.443 543 E N -1.629 118.598 120.200 0.044 0.000 2.058 543 E HA -0.232 4.122 4.350 0.007 0.000 0.194 543 E C 1.905 178.530 176.600 0.043 0.000 0.997 543 E CA 1.632 58.067 56.400 0.058 0.000 0.801 543 E CB -0.337 29.406 29.700 0.072 0.000 0.746 543 E HN 0.782 nan 8.360 nan 0.000 0.450 544 Y N 1.392 121.650 120.300 -0.070 0.000 2.114 544 Y HA -0.218 4.337 4.550 0.007 0.000 0.284 544 Y C 1.951 177.800 175.900 -0.084 0.000 1.143 544 Y CA 1.486 59.535 58.100 -0.085 0.000 1.135 544 Y CB -0.288 38.107 38.460 -0.109 0.000 0.980 544 Y HN -0.047 nan 8.280 nan 0.000 0.499 545 L N -0.150 121.006 121.223 -0.110 0.000 2.017 545 L HA -0.248 4.096 4.340 0.007 0.000 0.208 545 L C 2.661 179.415 176.870 -0.193 0.000 1.073 545 L CA 1.693 56.411 54.840 -0.202 0.000 0.745 545 L CB -0.601 41.403 42.059 -0.092 0.000 0.894 545 L HN 0.167 nan 8.230 nan 0.000 0.432 546 R N -0.688 119.738 120.500 -0.124 0.000 2.105 546 R HA -0.175 4.169 4.340 0.007 0.000 0.239 546 R C 2.625 178.864 176.300 -0.102 0.000 1.135 546 R CA 1.643 57.694 56.100 -0.081 0.000 0.967 546 R CB -0.426 29.859 30.300 -0.024 0.000 0.861 546 R HN 0.275 nan 8.270 nan 0.000 0.442 547 S N 0.351 115.969 115.700 -0.137 0.000 2.345 547 S HA -0.104 4.371 4.470 0.007 0.000 0.220 547 S C 2.116 176.602 174.600 -0.190 0.000 1.031 547 S CA 1.480 59.595 58.200 -0.141 0.000 0.996 547 S CB -0.190 62.932 63.200 -0.131 0.000 0.882 547 S HN 0.291 nan 8.310 nan 0.000 0.445 548 V N -0.959 118.756 119.914 -0.330 0.000 2.667 548 V HA 0.300 4.425 4.120 0.007 0.000 0.252 548 V C 2.074 178.049 176.094 -0.199 0.000 1.065 548 V CA 1.582 63.692 62.300 -0.316 0.000 1.083 548 V CB -1.588 29.915 31.823 -0.534 0.000 0.692 548 V HN 0.756 nan 8.190 nan 0.000 0.468 549 G N 0.745 109.439 108.800 -0.176 0.000 2.562 549 G HA2 -0.335 3.629 3.960 0.007 0.000 0.241 549 G HA3 -0.335 3.629 3.960 0.007 0.000 0.241 549 G C 0.496 175.345 174.900 -0.084 0.000 1.120 549 G CA 0.737 45.774 45.100 -0.106 0.000 0.673 549 G HN 0.735 nan 8.290 nan 0.000 0.519 550 R N -0.552 119.891 120.500 -0.094 0.000 2.651 550 R HA 0.608 4.952 4.340 0.007 0.000 0.278 550 R C -0.575 175.686 176.300 -0.065 0.000 1.010 550 R CA -0.221 55.844 56.100 -0.059 0.000 0.896 550 R CB 2.904 33.181 30.300 -0.038 0.000 1.211 550 R HN 0.727 nan 8.270 nan 0.000 0.456 551 V N -0.805 119.089 119.914 -0.033 0.000 2.914 551 V HA 0.722 4.846 4.120 0.007 0.000 0.314 551 V C -0.566 175.528 176.094 -0.000 0.000 1.084 551 V CA -1.027 61.264 62.300 -0.015 0.000 0.963 551 V CB 2.168 33.994 31.823 0.006 0.000 1.025 551 V HN 0.845 nan 8.190 nan 0.000 0.432 552 R N 2.167 122.669 120.500 0.003 0.000 2.797 552 R HA 0.585 4.929 4.340 0.007 0.000 0.274 552 R C -2.176 174.129 176.300 0.009 0.000 1.652 552 R CA -0.290 55.817 56.100 0.010 0.000 1.175 552 R CB 1.812 32.120 30.300 0.012 0.000 1.283 552 R HN 0.739 nan 8.270 nan 0.000 0.513 553 V N 5.547 125.461 119.914 0.000 0.000 2.277 553 V HA 0.413 4.537 4.120 0.007 0.000 0.269 553 V C 0.473 176.584 176.094 0.029 0.000 1.036 553 V CA -0.712 61.581 62.300 -0.012 0.000 0.821 553 V CB 0.873 32.644 31.823 -0.086 0.000 1.052 553 V HN 0.512 nan 8.190 nan 0.000 0.462 554 R N 5.041 125.574 120.500 0.054 0.000 2.582 554 R HA 0.354 4.698 4.340 0.007 0.000 0.271 554 R C -2.413 173.967 176.300 0.133 0.000 1.078 554 R CA -1.833 54.319 56.100 0.087 0.000 1.127 554 R CB 1.012 31.353 30.300 0.068 0.000 1.038 554 R HN 0.357 nan 8.270 nan 0.000 0.500 555 P HA 0.111 nan 4.420 nan 0.000 0.271 555 P C -1.008 176.346 177.300 0.090 0.000 1.233 555 P CA 0.221 63.482 63.100 0.268 0.000 0.764 555 P CB 0.498 32.397 31.700 0.332 0.000 0.825 556 E N 4.379 124.566 120.200 -0.022 0.000 3.108 556 E HA 0.222 4.576 4.350 0.007 0.000 0.228 556 E C -2.314 173.940 176.600 -0.577 0.000 1.176 556 E CA -1.902 54.387 56.400 -0.185 0.000 0.881 556 E CB 0.913 30.587 29.700 -0.043 0.000 1.354 556 E HN 0.410 nan 8.360 nan 0.000 0.400 557 P HA -0.049 nan 4.420 nan 0.000 0.265 557 P C 0.089 177.028 177.300 -0.600 0.000 1.193 557 P CA 0.077 62.504 63.100 -1.122 0.000 0.765 557 P CB 0.564 31.809 31.700 -0.760 0.000 0.823 558 N N 1.287 119.705 118.700 -0.471 0.000 2.235 558 N HA 0.064 4.808 4.740 0.007 0.000 0.209 558 N C -0.686 174.603 175.510 -0.368 0.000 1.122 558 N CA -0.131 52.747 53.050 -0.287 0.000 0.845 558 N CB 0.114 38.526 38.487 -0.125 0.000 1.004 558 N HN 0.087 nan 8.380 nan 0.000 0.499 559 V N 0.758 120.366 119.914 -0.510 0.000 2.588 559 V HA 0.299 4.423 4.120 0.007 0.000 0.304 559 V C -0.181 175.601 176.094 -0.519 0.000 1.042 559 V CA -1.142 60.760 62.300 -0.663 0.000 0.877 559 V CB 2.258 33.604 31.823 -0.795 0.000 0.996 559 V HN 0.147 nan 8.190 nan 0.000 0.425 560 K N 4.014 124.171 120.400 -0.405 0.000 2.253 560 K HA 0.582 4.906 4.320 0.007 0.000 0.277 560 K C -1.149 175.313 176.600 -0.230 0.000 1.053 560 K CA -0.395 55.735 56.287 -0.261 0.000 0.892 560 K CB 1.394 33.788 32.500 -0.177 0.000 1.102 560 K HN 0.509 nan 8.250 nan 0.000 0.469 561 V N 6.391 126.199 119.914 -0.176 0.000 2.348 561 V HA 0.203 4.327 4.120 0.007 0.000 0.270 561 V C 0.395 176.444 176.094 -0.075 0.000 1.037 561 V CA -0.940 61.288 62.300 -0.119 0.000 0.872 561 V CB 0.679 32.470 31.823 -0.052 0.000 1.002 561 V HN 0.712 nan 8.190 nan 0.000 0.464 562 I N 4.327 124.848 120.570 -0.082 0.000 2.556 562 I HA 0.321 4.496 4.170 0.007 0.000 0.284 562 I C 1.452 177.537 176.117 -0.054 0.000 1.114 562 I CA 0.913 62.178 61.300 -0.059 0.000 1.418 562 I CB 0.170 38.138 38.000 -0.055 0.000 1.394 562 I HN 0.947 nan 8.210 nan 0.000 0.552 563 G N 6.081 114.860 108.800 -0.035 0.000 2.162 563 G HA2 -0.224 3.740 3.960 0.007 0.000 0.260 563 G HA3 -0.224 3.740 3.960 0.007 0.000 0.260 563 G C 0.342 175.231 174.900 -0.018 0.000 0.976 563 G CA -0.185 44.899 45.100 -0.027 0.000 0.655 563 G HN 0.550 nan 8.290 nan 0.000 0.533 564 R N -0.642 119.853 120.500 -0.009 0.000 2.740 564 R HA 0.390 4.734 4.340 0.007 0.000 0.273 564 R C -1.066 175.254 176.300 0.033 0.000 0.998 564 R CA -1.063 55.044 56.100 0.012 0.000 0.900 564 R CB 0.750 31.062 30.300 0.021 0.000 1.223 564 R HN 0.100 nan 8.270 nan 0.000 0.466 565 N N 1.544 120.265 118.700 0.035 0.000 2.422 565 N HA 0.107 4.851 4.740 0.007 0.000 0.264 565 N C -0.965 174.578 175.510 0.055 0.000 1.063 565 N CA -0.064 53.011 53.050 0.042 0.000 0.959 565 N CB 0.689 39.190 38.487 0.024 0.000 1.087 565 N HN 0.407 nan 8.380 nan 0.000 0.483 566 Y N 2.485 122.771 120.300 -0.023 0.000 2.350 566 Y HA 0.297 4.851 4.550 0.007 0.000 0.340 566 Y C 0.097 175.981 175.900 -0.027 0.000 1.006 566 Y CA -0.491 57.592 58.100 -0.028 0.000 1.166 566 Y CB 0.434 38.863 38.460 -0.051 0.000 1.168 566 Y HN 0.344 nan 8.280 nan 0.000 0.502 567 R N 4.591 124.702 120.500 -0.648 0.000 2.598 567 R HA 0.686 5.030 4.340 0.007 0.000 0.279 567 R C -1.389 174.597 176.300 -0.523 0.000 0.984 567 R CA -0.467 55.382 56.100 -0.419 0.000 0.999 567 R CB 1.133 31.272 30.300 -0.267 0.000 1.114 567 R HN 0.743 nan 8.270 nan 0.000 0.493 568 L N 3.115 124.177 121.223 -0.268 0.000 2.388 568 L HA 0.638 4.982 4.340 0.007 0.000 0.264 568 L C -2.107 174.651 176.870 -0.186 0.000 0.998 568 L CA -2.064 52.660 54.840 -0.193 0.000 0.817 568 L CB 2.403 44.473 42.059 0.019 0.000 1.338 568 L HN 0.522 nan 8.230 nan 0.000 0.414 569 P HA 0.180 nan 4.420 nan 0.000 0.281 569 P C -1.197 176.153 177.300 0.084 0.000 1.281 569 P CA -0.527 62.567 63.100 -0.010 0.000 0.811 569 P CB 0.963 32.546 31.700 -0.195 0.000 1.154 570 E N 0.074 120.359 120.200 0.140 0.000 2.223 570 E HA 0.164 4.518 4.350 0.007 0.000 0.282 570 E C 0.499 177.173 176.600 0.123 0.000 1.046 570 E CA -0.427 56.042 56.400 0.115 0.000 0.857 570 E CB 0.051 29.812 29.700 0.102 0.000 1.055 570 E HN 0.224 nan 8.360 nan 0.000 0.409 571 V N 1.569 121.554 119.914 0.118 0.000 3.647 571 V HA 0.244 4.368 4.120 0.007 0.000 0.279 571 V C 0.561 176.716 176.094 0.102 0.000 1.314 571 V CA 0.641 63.023 62.300 0.136 0.000 1.125 571 V CB -0.800 31.125 31.823 0.169 0.000 0.907 571 V HN 0.633 nan 8.190 nan 0.000 0.434 572 T N -2.648 111.951 114.554 0.076 0.000 2.927 572 T HA 0.863 5.217 4.350 0.007 0.000 0.286 572 T C 0.315 175.034 174.700 0.032 0.000 1.040 572 T CA -0.052 62.077 62.100 0.049 0.000 1.010 572 T CB 1.592 70.483 68.868 0.037 0.000 1.177 572 T HN 1.850 nan 8.240 nan 0.000 0.546 573 G N 0.000 108.806 108.800 0.010 0.000 5.446 573 G HA2 0.000 3.964 3.960 0.007 0.000 0.244 573 G HA3 0.000 3.964 3.960 0.007 0.000 0.244 573 G CA 0.000 45.093 45.100 -0.012 0.000 0.502 573 G HN 0.000 nan 8.290 nan 0.000 0.925