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 2ww2_1_B DATA FIRST_RESID 22 DATA SEQUENCE SKKTVEFVDY VNPLMGTEST FAFSHGNTYP AVAVPWGMNF WSPQTGENGS DATA SEQUENCE GWMYTYTDSL MRGFRQTHQP SPWINDYGTF SIMPLAGELK MSHKERLVPF DATA SEQUENCE SHQQEKATPY NYSVTFNNGL QTSLSATSRG AVFEVSFPEK EDQYVVVDAY DATA SEQUENCE NGGSSITIEP EKRLVKGATR YNNGGVPDNF ANYFMMEFSH PVIEYGTYNG DATA SEQUENCE DTLLHHQTDV AADYTCAYLK FDVPAGEKLT IRTASSFISP EQAAINFNRE DATA SEQUENCE VADADVQLIS GKAREQWNNY LGRVEAEGGT DEQLRTFYSC LYRTLLFPRE DATA SEQUENCE FYEFDSQGNP VYYSPYDGNV HDGYMYTDNG FWDTFRAVHP LFTLLYPEVS DATA SEQUENCE ERVTQSIINA YNESGFMPEW ASPGHRGCMI GNNSVSLLVD AWMKGIQTVD DATA SEQUENCE AEKALEAMIH QTQARHAEIA SVGRDGFEYY DKLGYVPYPE VPEATAKTLE DATA SEQUENCE YAYADWCIAR FAESLGKQDI ADQYYQKAPN YRNLYYPEHG FMWTKDAKGN DATA SEQUENCE WRDRFDATEW GGPFTEGSSW HWTWSVFHDP EGLSELMGGH EPMIARLDSM DATA SEQUENCE FVAPNTYNYG TYGFVIHEIA EMVALNMGQY AHGNQPVQHA IYLYDYIGQP DATA SEQUENCE WKTQYHLRNV MDKLYNSGSK GYCGDEDNGQ TSAWYVFSAM GFYPVCPGMP DATA SEQUENCE EYAIGSPLFK KVTLHLPEGK NFVVSAADNA ADRPYIRKAL LNGQEFTRNY DATA SEQUENCE LTHDELKQGG ELNLSMDSVP NQQRGTQPAD FPYSYSK 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 22 S HA 0.000 nan 4.470 nan 0.000 0.327 22 S C 0.000 174.546 174.600 -0.091 0.000 1.055 22 S CA 0.000 58.160 58.200 -0.066 0.000 1.107 22 S CB 0.000 63.169 63.200 -0.051 0.000 0.593 23 K N 1.344 121.693 120.400 -0.085 0.000 2.448 23 K HA 0.330 4.650 4.320 -0.001 0.000 0.278 23 K C -0.690 175.844 176.600 -0.110 0.000 1.009 23 K CA 0.503 56.730 56.287 -0.100 0.000 0.995 23 K CB 0.202 32.654 32.500 -0.081 0.000 0.917 23 K HN 0.592 nan 8.250 nan 0.000 0.481 24 K N 2.133 122.447 120.400 -0.142 0.000 2.435 24 K HA 0.179 4.499 4.320 -0.001 0.000 0.251 24 K C 0.704 177.223 176.600 -0.135 0.000 0.954 24 K CA -0.813 55.389 56.287 -0.142 0.000 0.820 24 K CB 1.893 34.273 32.500 -0.199 0.000 1.292 24 K HN 0.534 nan 8.250 nan 0.000 0.436 25 T N 0.023 114.514 114.554 -0.106 0.000 2.720 25 T HA -0.075 4.274 4.350 -0.001 0.000 0.268 25 T C 0.675 175.296 174.700 -0.131 0.000 1.037 25 T CA 0.982 63.024 62.100 -0.097 0.000 1.144 25 T CB 0.103 68.931 68.868 -0.067 0.000 0.864 25 T HN 0.218 nan 8.240 nan 0.000 0.444 26 V N 2.538 122.358 119.914 -0.157 0.000 2.378 26 V HA 0.339 4.459 4.120 -0.001 0.000 0.288 26 V C -0.208 175.694 176.094 -0.319 0.000 1.016 26 V CA -0.916 61.237 62.300 -0.246 0.000 0.840 26 V CB 1.802 33.480 31.823 -0.241 0.000 0.994 26 V HN 0.216 nan 8.190 nan 0.000 0.431 27 E N 2.633 122.623 120.200 -0.350 0.000 2.250 27 E HA 0.389 4.739 4.350 -0.001 0.000 0.265 27 E C 0.509 176.897 176.600 -0.353 0.000 1.033 27 E CA -0.591 55.577 56.400 -0.387 0.000 0.888 27 E CB 1.132 30.671 29.700 -0.269 0.000 1.151 27 E HN 0.447 nan 8.360 nan 0.000 0.412 28 F N 0.380 120.219 119.950 -0.185 0.000 2.126 28 F HA -0.184 4.343 4.527 -0.001 0.000 0.299 28 F C 2.325 178.013 175.800 -0.188 0.000 1.096 28 F CA 0.724 58.539 58.000 -0.309 0.000 1.255 28 F CB -0.969 37.720 39.000 -0.518 0.000 0.997 28 F HN 0.286 nan 8.300 nan 0.000 0.479 29 V N 0.305 120.263 119.914 0.072 0.000 2.594 29 V HA -0.228 3.891 4.120 -0.001 0.000 0.253 29 V C 1.717 177.808 176.094 -0.005 0.000 1.069 29 V CA 1.992 64.334 62.300 0.069 0.000 1.082 29 V CB -0.485 31.413 31.823 0.123 0.000 0.680 29 V HN 0.209 nan 8.190 nan 0.000 0.469 30 D N -0.838 119.491 120.400 -0.118 0.000 2.264 30 D HA -0.141 4.499 4.640 -0.001 0.000 0.208 30 D C 1.681 177.855 176.300 -0.211 0.000 0.966 30 D CA 1.213 55.097 54.000 -0.194 0.000 0.864 30 D CB -0.139 40.463 40.800 -0.330 0.000 0.933 30 D HN 0.610 nan 8.370 nan 0.000 0.499 31 Y N 0.470 120.796 120.300 0.043 0.000 2.519 31 Y HA 0.046 4.595 4.550 -0.000 0.000 0.287 31 Y C 1.019 176.952 175.900 0.055 0.000 1.128 31 Y CA -0.143 58.016 58.100 0.099 0.000 1.282 31 Y CB -0.063 38.544 38.460 0.245 0.000 1.027 31 Y HN -0.268 nan 8.280 nan 0.000 0.551 32 V N 2.179 122.147 119.914 0.090 0.000 2.508 32 V HA -0.004 4.116 4.120 -0.001 0.000 0.281 32 V C 0.047 176.031 176.094 -0.183 0.000 1.041 32 V CA -0.386 61.858 62.300 -0.093 0.000 1.016 32 V CB 0.538 32.146 31.823 -0.358 0.000 0.984 32 V HN 0.226 nan 8.190 nan 0.000 0.478 33 N N 7.245 125.862 118.700 -0.139 0.000 2.609 33 N HA 0.380 5.120 4.740 -0.001 0.000 0.234 33 N C -1.913 173.507 175.510 -0.151 0.000 1.001 33 N CA -2.260 50.712 53.050 -0.131 0.000 0.926 33 N CB 1.862 40.319 38.487 -0.051 0.000 1.130 33 N HN 0.221 nan 8.380 nan 0.000 0.510 34 P HA -0.004 nan 4.420 nan 0.000 0.228 34 P C 0.829 178.140 177.300 0.019 0.000 1.151 34 P CA 0.837 63.855 63.100 -0.137 0.000 0.770 34 P CB 0.310 31.879 31.700 -0.219 0.000 0.786 35 L N -2.144 119.094 121.223 0.024 0.000 2.591 35 L HA 0.155 4.495 4.340 -0.001 0.000 0.228 35 L C 1.358 178.272 176.870 0.073 0.000 1.133 35 L CA -0.202 54.696 54.840 0.096 0.000 0.880 35 L CB -0.508 41.640 42.059 0.149 0.000 1.033 35 L HN 0.086 nan 8.230 nan 0.000 0.450 36 M N 0.806 120.440 119.600 0.056 0.000 2.303 36 M HA 0.149 4.629 4.480 -0.001 0.000 0.350 36 M C 1.147 177.566 176.300 0.198 0.000 1.518 36 M CA 1.241 56.570 55.300 0.048 0.000 1.070 36 M CB 0.205 32.801 32.600 -0.007 0.000 1.910 36 M HN 0.288 nan 8.290 nan 0.000 0.458 37 G N 2.421 111.337 108.800 0.193 0.000 2.176 37 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.253 37 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.253 37 G C 0.513 175.577 174.900 0.272 0.000 0.979 37 G CA 0.720 46.021 45.100 0.334 0.000 0.641 37 G HN 0.901 nan 8.290 nan 0.000 0.530 38 T N -2.001 112.698 114.554 0.241 0.000 3.088 38 T HA 0.270 4.619 4.350 -0.001 0.000 0.259 38 T C 0.944 175.863 174.700 0.364 0.000 1.122 38 T CA 1.152 63.466 62.100 0.357 0.000 1.095 38 T CB 0.317 69.499 68.868 0.523 0.000 0.930 38 T HN 0.470 nan 8.240 nan 0.000 0.508 39 E N 1.738 122.070 120.200 0.220 0.000 1.979 39 E HA 0.310 4.659 4.350 -0.001 0.000 0.285 39 E C -0.968 175.814 176.600 0.302 0.000 1.188 39 E CA -0.376 56.152 56.400 0.212 0.000 1.214 39 E CB -0.202 29.494 29.700 -0.008 0.000 1.210 39 E HN 0.327 nan 8.360 nan 0.000 0.477 40 S N 0.781 116.698 115.700 0.361 0.000 2.569 40 S HA 0.560 5.030 4.470 -0.001 0.000 0.280 40 S C -0.548 174.279 174.600 0.379 0.000 1.111 40 S CA -0.874 57.569 58.200 0.404 0.000 0.887 40 S CB 1.974 65.416 63.200 0.402 0.000 1.095 40 S HN 0.497 nan 8.310 nan 0.000 0.476 41 T N -1.471 113.260 114.554 0.294 0.000 2.838 41 T HA 0.546 4.896 4.350 -0.001 0.000 0.292 41 T C 0.625 175.201 174.700 -0.205 0.000 1.113 41 T CA -0.838 61.264 62.100 0.004 0.000 1.008 41 T CB 0.497 69.361 68.868 -0.007 0.000 1.259 41 T HN 0.387 nan 8.240 nan 0.000 0.520 42 F N 1.100 120.365 119.950 -1.142 0.000 2.147 42 F HA -0.063 4.463 4.527 -0.001 0.000 0.301 42 F C 2.502 178.081 175.800 -0.369 0.000 1.084 42 F CA 1.940 59.233 58.000 -1.178 0.000 1.268 42 F CB -0.385 37.804 39.000 -1.352 0.000 1.009 42 F HN 0.771 nan 8.300 nan 0.000 0.486 43 A N -0.653 122.099 122.820 -0.114 0.000 1.898 43 A HA 0.028 4.347 4.320 -0.001 0.000 0.214 43 A C 0.075 177.328 177.584 -0.553 0.000 1.183 43 A CA 0.789 52.585 52.037 -0.401 0.000 0.622 43 A CB -0.501 18.047 19.000 -0.753 0.000 0.824 43 A HN 0.266 nan 8.150 nan 0.000 0.444 44 F N -0.239 119.776 119.950 0.108 0.000 2.610 44 F HA 0.463 4.990 4.527 -0.001 0.000 0.355 44 F C 0.326 176.188 175.800 0.102 0.000 1.140 44 F CA -1.041 57.005 58.000 0.078 0.000 1.037 44 F CB 1.509 40.554 39.000 0.075 0.000 1.287 44 F HN -0.026 nan 8.300 nan 0.000 0.457 45 S N 1.836 117.679 115.700 0.238 0.000 2.523 45 S HA 0.300 4.769 4.470 -0.001 0.000 0.275 45 S C -0.067 174.533 174.600 -0.000 0.000 1.281 45 S CA -0.095 58.231 58.200 0.210 0.000 1.050 45 S CB 0.232 63.580 63.200 0.246 0.000 0.937 45 S HN 0.705 nan 8.310 nan 0.000 0.492 46 H N 2.649 121.851 119.070 0.220 0.000 2.575 46 H HA 0.385 4.941 4.556 -0.001 0.000 0.256 46 H C 1.105 176.573 175.328 0.234 0.000 1.162 46 H CA 0.427 56.585 56.048 0.183 0.000 0.969 46 H CB 0.844 30.689 29.762 0.139 0.000 1.796 46 H HN 0.864 nan 8.280 nan 0.000 0.607 47 G N -0.033 108.918 108.800 0.253 0.000 3.511 47 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.218 47 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.218 47 G C -0.102 174.832 174.900 0.057 0.000 1.001 47 G CA -0.365 44.807 45.100 0.121 0.000 0.877 47 G HN 0.191 nan 8.290 nan 0.000 0.450 48 N N 1.702 120.495 118.700 0.154 0.000 2.705 48 N HA -0.147 4.593 4.740 -0.001 0.000 0.255 48 N C 0.365 175.893 175.510 0.030 0.000 1.008 48 N CA 1.842 54.950 53.050 0.097 0.000 0.742 48 N CB -1.477 37.026 38.487 0.028 0.000 0.906 48 N HN 1.256 nan 8.380 nan 0.000 0.541 49 T N -2.179 112.432 114.554 0.094 0.000 2.952 49 T HA 0.727 5.077 4.350 -0.001 0.000 0.286 49 T C -0.004 174.785 174.700 0.150 0.000 1.024 49 T CA -0.797 61.321 62.100 0.031 0.000 1.029 49 T CB 1.870 70.767 68.868 0.048 0.000 1.094 49 T HN 0.231 nan 8.240 nan 0.000 0.515 50 Y N -1.445 118.918 120.300 0.105 0.000 2.562 50 Y HA 0.727 5.277 4.550 -0.000 0.000 0.343 50 Y C -2.805 173.080 175.900 -0.024 0.000 1.025 50 Y CA -3.618 54.512 58.100 0.050 0.000 1.082 50 Y CB 0.861 39.348 38.460 0.046 0.000 1.264 50 Y HN 0.387 nan 8.280 nan 0.000 0.478 51 P HA 0.218 nan 4.420 nan 0.000 0.238 51 P C -0.408 176.921 177.300 0.048 0.000 1.794 51 P CA 0.117 63.192 63.100 -0.041 0.000 1.088 51 P CB -0.150 31.445 31.700 -0.175 0.000 1.923 52 A N 3.303 126.181 122.820 0.096 0.000 2.545 52 A HA 0.172 4.492 4.320 -0.001 0.000 0.253 52 A C 0.432 178.039 177.584 0.039 0.000 1.074 52 A CA 0.094 52.187 52.037 0.093 0.000 0.760 52 A CB -0.075 18.785 19.000 -0.233 0.000 1.005 52 A HN 0.333 nan 8.150 nan 0.000 0.506 53 V N 2.620 122.583 119.914 0.082 0.000 2.383 53 V HA 0.672 4.792 4.120 -0.001 0.000 0.275 53 V C 0.604 176.796 176.094 0.163 0.000 1.036 53 V CA 0.770 63.122 62.300 0.088 0.000 0.889 53 V CB 0.353 32.225 31.823 0.082 0.000 0.985 53 V HN 1.427 nan 8.190 nan 0.000 0.459 54 A N 4.446 127.388 122.820 0.204 0.000 2.511 54 A HA 0.892 5.212 4.320 -0.001 0.000 0.293 54 A C -0.902 176.923 177.584 0.402 0.000 1.098 54 A CA -0.124 52.056 52.037 0.240 0.000 0.643 54 A CB 1.559 20.435 19.000 -0.207 0.000 1.302 54 A HN 1.408 nan 8.150 nan 0.000 0.446 55 V N -2.900 117.134 119.914 0.200 0.000 3.019 55 V HA 0.832 4.952 4.120 -0.001 0.000 0.317 55 V C -2.947 172.917 176.094 -0.383 0.000 1.094 55 V CA -2.839 59.375 62.300 -0.144 0.000 1.000 55 V CB 1.160 32.902 31.823 -0.135 0.000 1.060 55 V HN 0.620 nan 8.190 nan 0.000 0.443 56 P HA 0.024 nan 4.420 nan 0.000 0.262 56 P C -0.096 176.920 177.300 -0.473 0.000 1.182 56 P CA 0.614 63.006 63.100 -1.180 0.000 0.761 56 P CB -0.067 30.567 31.700 -1.777 0.000 0.795 57 W N 0.243 121.464 121.300 -0.133 0.000 4.973 57 W HA -0.162 4.497 4.660 -0.001 0.000 0.350 57 W C 0.654 177.202 176.519 0.050 0.000 1.280 57 W CA 0.778 58.128 57.345 0.008 0.000 0.854 57 W CB -2.438 27.009 29.460 -0.021 0.000 2.367 57 W HN 0.466 nan 8.180 nan 0.000 1.511 58 G N 0.795 109.784 108.800 0.315 0.000 2.432 58 G HA2 0.218 4.178 3.960 -0.001 0.000 0.239 58 G HA3 0.218 4.178 3.960 -0.001 0.000 0.239 58 G C 0.831 175.817 174.900 0.143 0.000 1.291 58 G CA 0.206 45.464 45.100 0.264 0.000 0.863 58 G HN 0.253 nan 8.290 nan 0.000 0.560 59 M N 1.833 121.479 119.600 0.078 0.000 2.149 59 M HA -0.077 4.402 4.480 -0.001 0.000 0.261 59 M C 0.554 176.950 176.300 0.160 0.000 1.064 59 M CA 1.382 56.736 55.300 0.089 0.000 1.102 59 M CB -0.101 32.539 32.600 0.067 0.000 1.369 59 M HN 0.616 nan 8.290 nan 0.000 0.408 60 N N -0.496 118.294 118.700 0.150 0.000 2.342 60 N HA 0.358 5.097 4.740 -0.001 0.000 0.293 60 N C -1.519 174.068 175.510 0.128 0.000 1.026 60 N CA -0.755 52.318 53.050 0.039 0.000 0.857 60 N CB 1.308 39.864 38.487 0.114 0.000 1.256 60 N HN -0.049 nan 8.380 nan 0.000 0.484 61 F N 0.732 120.563 119.950 -0.199 0.000 2.497 61 F HA 0.558 5.084 4.527 -0.001 0.000 0.331 61 F C -0.250 175.338 175.800 -0.354 0.000 1.060 61 F CA -1.335 56.616 58.000 -0.082 0.000 0.989 61 F CB 0.654 39.665 39.000 0.017 0.000 1.245 61 F HN 0.365 nan 8.300 nan 0.000 0.486 62 W N 0.004 121.390 121.300 0.143 0.000 2.819 62 W HA 0.614 5.274 4.660 -0.001 0.000 0.337 62 W C -0.468 176.042 176.519 -0.014 0.000 1.077 62 W CA -0.567 56.776 57.345 -0.004 0.000 1.226 62 W CB 2.101 31.534 29.460 -0.045 0.000 1.419 62 W HN 0.357 nan 8.180 nan 0.000 0.502 63 S N 3.284 119.047 115.700 0.104 0.000 2.533 63 S HA 0.581 5.051 4.470 -0.001 0.000 0.271 63 S C -2.809 171.739 174.600 -0.086 0.000 1.143 63 S CA -1.550 56.626 58.200 -0.040 0.000 0.891 63 S CB 1.352 64.468 63.200 -0.141 0.000 1.105 63 S HN 0.157 nan 8.310 nan 0.000 0.468 64 P HA 0.096 nan 4.420 nan 0.000 0.268 64 P C -1.343 175.892 177.300 -0.108 0.000 1.208 64 P CA -0.007 62.879 63.100 -0.356 0.000 0.777 64 P CB 0.302 31.709 31.700 -0.488 0.000 0.875 65 Q N 0.811 120.526 119.800 -0.142 0.000 2.310 65 Q HA 0.331 4.670 4.340 -0.001 0.000 0.270 65 Q C 0.346 176.349 176.000 0.005 0.000 1.025 65 Q CA -0.441 55.349 55.803 -0.020 0.000 0.772 65 Q CB 1.328 30.032 28.738 -0.057 0.000 1.253 65 Q HN 0.529 nan 8.270 nan 0.000 0.450 66 T N -0.216 114.378 114.554 0.066 0.000 3.018 66 T HA 0.296 4.646 4.350 -0.001 0.000 0.246 66 T C 0.898 175.635 174.700 0.062 0.000 1.026 66 T CA 0.467 62.600 62.100 0.056 0.000 1.081 66 T CB 0.207 69.079 68.868 0.006 0.000 0.970 66 T HN 0.524 nan 8.240 nan 0.000 0.475 67 G N 1.018 109.866 108.800 0.081 0.000 2.634 67 G HA2 0.435 4.395 3.960 -0.001 0.000 0.255 67 G HA3 0.435 4.395 3.960 -0.001 0.000 0.255 67 G C -0.494 174.458 174.900 0.087 0.000 1.205 67 G CA -0.662 44.497 45.100 0.098 0.000 0.884 67 G HN 0.512 nan 8.290 nan 0.000 0.549 68 E N 0.122 120.382 120.200 0.099 0.000 2.404 68 E HA -0.014 4.335 4.350 -0.001 0.000 0.261 68 E C -0.020 176.560 176.600 -0.033 0.000 1.074 68 E CA -0.316 56.163 56.400 0.130 0.000 0.917 68 E CB 0.418 30.210 29.700 0.153 0.000 0.965 68 E HN 0.335 nan 8.360 nan 0.000 0.433 69 N N 0.684 119.178 118.700 -0.344 0.000 2.293 69 N HA -0.014 4.726 4.740 -0.001 0.000 0.253 69 N C 0.903 176.150 175.510 -0.439 0.000 1.248 69 N CA 1.418 54.029 53.050 -0.730 0.000 0.845 69 N CB 0.566 38.024 38.487 -1.714 0.000 1.073 69 N HN 0.775 nan 8.380 nan 0.000 0.464 70 G N -0.014 108.669 108.800 -0.195 0.000 2.258 70 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.233 70 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.233 70 G C 0.302 175.279 174.900 0.128 0.000 1.006 70 G CA 0.400 45.511 45.100 0.018 0.000 0.620 70 G HN 0.808 nan 8.290 nan 0.000 0.511 71 S N 0.975 116.736 115.700 0.102 0.000 2.523 71 S HA 0.527 4.997 4.470 -0.001 0.000 0.275 71 S C 1.758 176.444 174.600 0.144 0.000 1.281 71 S CA 0.821 59.133 58.200 0.185 0.000 1.050 71 S CB 1.096 64.422 63.200 0.210 0.000 0.937 71 S HN 1.370 nan 8.310 nan 0.000 0.492 72 G N 4.061 112.934 108.800 0.121 0.000 2.471 72 G HA2 -0.085 3.875 3.960 -0.001 0.000 0.219 72 G HA3 -0.085 3.875 3.960 -0.001 0.000 0.219 72 G C 0.513 175.185 174.900 -0.381 0.000 1.125 72 G CA -0.110 44.858 45.100 -0.219 0.000 0.775 72 G HN 0.819 nan 8.290 nan 0.000 0.548 73 W N 1.394 122.678 121.300 -0.028 0.000 1.518 73 W HA 0.340 5.000 4.660 -0.001 0.000 0.426 73 W C 1.327 177.877 176.519 0.052 0.000 0.675 73 W CA -0.733 56.619 57.345 0.011 0.000 1.936 73 W CB -0.173 29.296 29.460 0.015 0.000 1.749 73 W HN 0.167 nan 8.180 nan 0.000 0.247 74 M N 1.586 121.242 119.600 0.094 0.000 2.117 74 M HA -0.193 4.287 4.480 -0.001 0.000 0.262 74 M C -0.177 176.229 176.300 0.178 0.000 1.065 74 M CA 1.918 57.262 55.300 0.074 0.000 1.114 74 M CB 0.112 32.664 32.600 -0.081 0.000 1.361 74 M HN 0.098 nan 8.290 nan 0.000 0.408 75 Y N 0.730 121.101 120.300 0.118 0.000 2.386 75 Y HA 0.399 4.949 4.550 -0.001 0.000 0.334 75 Y C -1.048 175.009 175.900 0.261 0.000 1.002 75 Y CA -0.853 57.352 58.100 0.175 0.000 1.068 75 Y CB 1.365 39.926 38.460 0.169 0.000 1.203 75 Y HN 0.122 nan 8.280 nan 0.000 0.443 76 T N 2.126 116.615 114.554 -0.109 0.000 2.886 76 T HA 0.175 4.525 4.350 -0.001 0.000 0.292 76 T C 0.096 174.747 174.700 -0.081 0.000 1.012 76 T CA -0.551 61.595 62.100 0.077 0.000 0.982 76 T CB 1.089 70.078 68.868 0.201 0.000 1.018 76 T HN 0.731 nan 8.240 nan 0.000 0.451 77 Y N 3.093 123.432 120.300 0.064 0.000 2.256 77 Y HA -0.124 4.426 4.550 -0.000 0.000 0.288 77 Y C 2.664 178.664 175.900 0.167 0.000 1.155 77 Y CA 2.539 60.717 58.100 0.129 0.000 1.203 77 Y CB -0.330 38.191 38.460 0.102 0.000 0.980 77 Y HN 0.902 nan 8.280 nan 0.000 0.530 78 T N -2.789 111.866 114.554 0.170 0.000 3.088 78 T HA -0.001 4.349 4.350 -0.001 0.000 0.259 78 T C 0.385 175.072 174.700 -0.021 0.000 1.122 78 T CA 0.213 62.365 62.100 0.087 0.000 1.095 78 T CB -0.309 68.624 68.868 0.108 0.000 0.930 78 T HN 0.027 nan 8.240 nan 0.000 0.508 79 D N 2.386 122.750 120.400 -0.060 0.000 2.372 79 D HA 0.274 4.913 4.640 -0.001 0.000 0.243 79 D C 0.954 177.115 176.300 -0.231 0.000 1.121 79 D CA 0.130 54.073 54.000 -0.095 0.000 0.898 79 D CB 1.493 42.256 40.800 -0.061 0.000 1.202 79 D HN 0.440 nan 8.370 nan 0.000 0.428 80 S N 0.304 115.869 115.700 -0.225 0.000 2.701 80 S HA 0.253 4.722 4.470 -0.001 0.000 0.242 80 S C 0.211 174.682 174.600 -0.214 0.000 1.025 80 S CA -0.493 57.441 58.200 -0.444 0.000 1.016 80 S CB 0.063 63.073 63.200 -0.317 0.000 0.977 80 S HN 0.289 nan 8.310 nan 0.000 0.546 81 L N 1.988 123.252 121.223 0.070 0.000 2.381 81 L HA 0.664 5.004 4.340 -0.001 0.000 0.274 81 L C -0.729 176.330 176.870 0.315 0.000 0.988 81 L CA -0.709 54.261 54.840 0.217 0.000 0.824 81 L CB 1.945 44.056 42.059 0.088 0.000 1.263 81 L HN 0.170 nan 8.230 nan 0.000 0.410 82 M N 2.455 122.268 119.600 0.355 0.000 2.318 82 M HA 0.388 4.868 4.480 -0.001 0.000 0.347 82 M C 0.569 176.882 176.300 0.022 0.000 1.175 82 M CA 0.409 55.791 55.300 0.138 0.000 1.075 82 M CB 1.228 33.891 32.600 0.105 0.000 1.614 82 M HN 0.455 nan 8.290 nan 0.000 0.456 83 R N 2.247 122.727 120.500 -0.034 0.000 2.316 83 R HA 0.515 4.855 4.340 -0.001 0.000 0.201 83 R C 0.308 176.580 176.300 -0.046 0.000 0.888 83 R CA 0.096 56.184 56.100 -0.021 0.000 1.041 83 R CB 0.842 31.161 30.300 0.031 0.000 1.115 83 R HN 0.848 nan 8.270 nan 0.000 0.559 84 G N 0.372 109.076 108.800 -0.159 0.000 2.356 84 G HA2 0.405 4.365 3.960 -0.001 0.000 0.294 84 G HA3 0.405 4.365 3.960 -0.001 0.000 0.294 84 G C -1.859 172.820 174.900 -0.370 0.000 1.423 84 G CA -0.860 44.168 45.100 -0.120 0.000 0.806 84 G HN -0.009 nan 8.290 nan 0.000 0.527 85 F N 1.275 121.341 119.950 0.194 0.000 2.427 85 F HA 0.585 5.112 4.527 -0.001 0.000 0.348 85 F C 0.806 176.737 175.800 0.219 0.000 1.125 85 F CA -0.854 57.297 58.000 0.252 0.000 0.989 85 F CB 1.911 41.207 39.000 0.493 0.000 1.165 85 F HN -0.047 nan 8.300 nan 0.000 0.442 86 R N 2.196 122.756 120.500 0.099 0.000 2.368 86 R HA 0.215 4.554 4.340 -0.001 0.000 0.302 86 R C -0.263 175.559 176.300 -0.797 0.000 1.002 86 R CA -0.668 55.253 56.100 -0.297 0.000 0.929 86 R CB 1.716 31.819 30.300 -0.329 0.000 1.073 86 R HN 0.692 nan 8.270 nan 0.000 0.464 87 Q N 1.975 120.816 119.800 -1.599 0.000 2.323 87 Q HA 0.098 4.438 4.340 -0.001 0.000 0.257 87 Q C -0.875 174.413 176.000 -1.187 0.000 1.022 87 Q CA 0.305 54.886 55.803 -2.037 0.000 0.919 87 Q CB 0.901 28.387 28.738 -2.086 0.000 1.220 87 Q HN 0.485 nan 8.270 nan 0.000 0.427 88 T N 2.577 116.531 114.554 -1.000 0.000 2.907 88 T HA 0.369 4.719 4.350 -0.001 0.000 0.292 88 T C -0.231 173.932 174.700 -0.896 0.000 1.043 88 T CA -0.531 61.099 62.100 -0.784 0.000 1.003 88 T CB 0.990 69.505 68.868 -0.589 0.000 1.084 88 T HN 0.744 nan 8.240 nan 0.000 0.483 89 H N 1.589 120.458 119.070 -0.335 0.000 3.058 89 H HA 0.240 4.795 4.556 -0.001 0.000 0.266 89 H C 0.567 175.918 175.328 0.038 0.000 1.135 89 H CA -0.240 55.641 56.048 -0.277 0.000 1.174 89 H CB 0.613 29.989 29.762 -0.643 0.000 1.581 89 H HN 0.578 nan 8.280 nan 0.000 0.553 90 Q N 4.067 123.947 119.800 0.135 0.000 2.247 90 Q HA 0.011 4.351 4.340 -0.001 0.000 0.288 90 Q C -1.640 174.642 176.000 0.469 0.000 1.079 90 Q CA -1.203 54.749 55.803 0.247 0.000 0.932 90 Q CB 1.143 29.936 28.738 0.092 0.000 1.133 90 Q HN 0.118 nan 8.270 nan 0.000 0.377 91 P HA 0.037 nan 4.420 nan 0.000 0.238 91 P C -0.506 176.786 177.300 -0.012 0.000 1.183 91 P CA 0.418 63.531 63.100 0.022 0.000 0.813 91 P CB 0.581 32.367 31.700 0.143 0.000 0.944 92 S N -1.739 113.986 115.700 0.041 0.000 2.552 92 S HA 0.423 4.892 4.470 -0.001 0.000 0.272 92 S C -2.673 171.785 174.600 -0.236 0.000 1.150 92 S CA -1.123 57.045 58.200 -0.054 0.000 0.849 92 S CB 1.524 64.762 63.200 0.063 0.000 1.113 92 S HN -0.289 nan 8.310 nan 0.000 0.458 93 P HA 0.036 nan 4.420 nan 0.000 0.220 93 P C 0.730 177.550 177.300 -0.800 0.000 1.148 93 P CA 1.053 63.522 63.100 -1.052 0.000 0.803 93 P CB -0.221 30.074 31.700 -2.341 0.000 0.782 94 W N -0.515 120.559 121.300 -0.377 0.000 2.476 94 W HA 0.024 4.684 4.660 -0.001 0.000 0.281 94 W C 2.219 178.601 176.519 -0.227 0.000 1.230 94 W CA -0.083 57.117 57.345 -0.241 0.000 1.287 94 W CB -0.746 28.595 29.460 -0.198 0.000 1.108 94 W HN -0.186 nan 8.180 nan 0.000 0.567 95 I N -0.243 120.271 120.570 -0.093 0.000 2.480 95 I HA -0.092 4.078 4.170 -0.001 0.000 0.251 95 I C 1.149 177.214 176.117 -0.086 0.000 1.124 95 I CA 1.005 62.188 61.300 -0.195 0.000 1.444 95 I CB -1.300 36.483 38.000 -0.362 0.000 1.098 95 I HN 0.122 nan 8.210 nan 0.000 0.428 96 N N 0.939 119.601 118.700 -0.064 0.000 6.891 96 N HA -0.200 4.539 4.740 -0.001 0.000 0.420 96 N C -0.380 175.189 175.510 0.097 0.000 0.939 96 N CA 0.917 53.974 53.050 0.011 0.000 1.300 96 N CB -0.403 38.122 38.487 0.062 0.000 0.824 96 N HN 0.173 nan 8.380 nan 0.000 0.284 97 D N -0.954 119.555 120.400 0.181 0.000 2.449 97 D HA 0.754 5.394 4.640 -0.001 0.000 0.250 97 D C -0.771 175.710 176.300 0.302 0.000 1.050 97 D CA 0.093 54.202 54.000 0.182 0.000 1.024 97 D CB 0.888 41.717 40.800 0.048 0.000 1.218 97 D HN 0.442 nan 8.370 nan 0.000 0.566 98 Y N -3.353 117.076 120.300 0.215 0.000 2.624 98 Y HA 0.464 5.014 4.550 -0.001 0.000 0.334 98 Y C 0.326 176.521 175.900 0.493 0.000 1.155 98 Y CA -0.982 57.264 58.100 0.242 0.000 1.046 98 Y CB 0.892 39.344 38.460 -0.012 0.000 1.316 98 Y HN 0.507 nan 8.280 nan 0.000 0.457 99 G N 0.904 110.128 108.800 0.707 0.000 2.323 99 G HA2 -0.137 3.823 3.960 -0.001 0.000 0.292 99 G HA3 -0.137 3.823 3.960 -0.001 0.000 0.292 99 G C -0.207 174.857 174.900 0.275 0.000 1.040 99 G CA 0.749 46.208 45.100 0.599 0.000 0.942 99 G HN 1.057 nan 8.290 nan 0.000 0.506 100 T N -0.573 114.016 114.554 0.059 0.000 2.885 100 T HA 0.827 5.177 4.350 -0.001 0.000 0.285 100 T C -0.282 174.309 174.700 -0.182 0.000 1.019 100 T CA -0.092 61.847 62.100 -0.268 0.000 1.010 100 T CB 1.092 69.618 68.868 -0.569 0.000 1.022 100 T HN 1.321 nan 8.240 nan 0.000 0.466 101 F N 0.901 120.632 119.950 -0.365 0.000 2.715 101 F HA 0.851 5.377 4.527 -0.000 0.000 0.318 101 F C -0.721 174.969 175.800 -0.183 0.000 1.141 101 F CA -1.050 56.802 58.000 -0.246 0.000 0.950 101 F CB 1.158 39.847 39.000 -0.518 0.000 1.374 101 F HN 0.602 nan 8.300 nan 0.000 0.477 102 S N 0.618 116.357 115.700 0.065 0.000 2.627 102 S HA 0.854 5.323 4.470 -0.001 0.000 0.283 102 S C -1.456 173.302 174.600 0.263 0.000 1.127 102 S CA -0.774 57.461 58.200 0.058 0.000 0.863 102 S CB 1.948 65.209 63.200 0.101 0.000 1.121 102 S HN 0.788 nan 8.310 nan 0.000 0.479 103 I N 1.470 122.221 120.570 0.302 0.000 2.465 103 I HA 0.573 4.743 4.170 -0.001 0.000 0.291 103 I C -1.129 175.179 176.117 0.318 0.000 1.014 103 I CA -0.621 60.824 61.300 0.242 0.000 1.093 103 I CB 2.129 40.101 38.000 -0.047 0.000 1.267 103 I HN 0.661 nan 8.210 nan 0.000 0.431 104 M N 9.691 129.453 119.600 0.271 0.000 2.122 104 M HA 0.492 4.972 4.480 -0.001 0.000 0.269 104 M C -2.814 173.639 176.300 0.256 0.000 0.954 104 M CA -2.266 53.213 55.300 0.299 0.000 0.998 104 M CB 1.686 34.393 32.600 0.179 0.000 1.755 104 M HN 0.038 nan 8.290 nan 0.000 0.459 105 P HA 0.376 nan 4.420 nan 0.000 0.275 105 P C -1.265 176.157 177.300 0.203 0.000 1.227 105 P CA -0.041 63.209 63.100 0.250 0.000 0.781 105 P CB 0.599 32.356 31.700 0.095 0.000 0.906 106 L N 1.500 122.924 121.223 0.334 0.000 2.401 106 L HA 0.733 5.072 4.340 -0.001 0.000 0.266 106 L C -0.132 176.966 176.870 0.381 0.000 0.991 106 L CA -1.095 53.889 54.840 0.239 0.000 0.818 106 L CB 2.343 44.512 42.059 0.184 0.000 1.321 106 L HN 0.305 nan 8.230 nan 0.000 0.413 107 A N 1.394 124.366 122.820 0.254 0.000 2.330 107 A HA 0.862 5.182 4.320 -0.001 0.000 0.327 107 A C 0.507 178.198 177.584 0.179 0.000 1.155 107 A CA 0.365 52.557 52.037 0.257 0.000 0.803 107 A CB 1.257 20.399 19.000 0.236 0.000 1.208 107 A HN 1.072 nan 8.150 nan 0.000 0.477 108 G N 1.543 110.447 108.800 0.173 0.000 2.866 108 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.274 108 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.274 108 G C 0.082 175.084 174.900 0.170 0.000 1.413 108 G CA 0.256 45.435 45.100 0.132 0.000 0.997 108 G HN 0.929 nan 8.290 nan 0.000 0.559 109 E N 0.882 121.124 120.200 0.070 0.000 2.344 109 E HA 0.388 4.738 4.350 -0.001 0.000 0.270 109 E C -0.275 176.244 176.600 -0.134 0.000 1.021 109 E CA -0.549 55.840 56.400 -0.017 0.000 0.887 109 E CB 1.529 31.202 29.700 -0.044 0.000 0.997 109 E HN 0.421 nan 8.360 nan 0.000 0.429 110 L N 4.836 125.851 121.223 -0.346 0.000 2.313 110 L HA 0.133 4.473 4.340 -0.001 0.000 0.282 110 L C -0.718 175.922 176.870 -0.383 0.000 1.092 110 L CA 0.280 54.731 54.840 -0.648 0.000 0.831 110 L CB 0.144 41.572 42.059 -1.053 0.000 1.159 110 L HN 0.261 nan 8.230 nan 0.000 0.442 111 K N 6.319 126.536 120.400 -0.304 0.000 2.376 111 K HA 0.327 4.647 4.320 -0.001 0.000 0.257 111 K C 0.005 176.462 176.600 -0.239 0.000 0.939 111 K CA -0.700 55.447 56.287 -0.234 0.000 0.809 111 K CB 2.106 34.514 32.500 -0.155 0.000 1.121 111 K HN 0.574 nan 8.250 nan 0.000 0.425 112 M N -0.076 119.331 119.600 -0.321 0.000 2.553 112 M HA 0.039 4.519 4.480 -0.001 0.000 0.255 112 M C 1.184 177.323 176.300 -0.268 0.000 1.181 112 M CA 0.708 55.787 55.300 -0.369 0.000 1.210 112 M CB -0.656 31.506 32.600 -0.729 0.000 1.280 112 M HN 0.510 nan 8.290 nan 0.000 0.495 113 S N 1.312 116.820 115.700 -0.321 0.000 2.572 113 S HA -0.005 4.464 4.470 -0.001 0.000 0.279 113 S C 1.485 176.108 174.600 0.039 0.000 1.341 113 S CA -0.321 57.888 58.200 0.014 0.000 1.043 113 S CB 0.261 63.476 63.200 0.025 0.000 0.887 113 S HN 0.557 nan 8.310 nan 0.000 0.516 114 H N 3.924 123.080 119.070 0.144 0.000 2.457 114 H HA -0.021 4.535 4.556 -0.001 0.000 0.297 114 H C 1.283 176.602 175.328 -0.014 0.000 1.092 114 H CA 1.627 57.695 56.048 0.032 0.000 1.309 114 H CB -0.196 29.545 29.762 -0.036 0.000 1.382 114 H HN 0.641 nan 8.280 nan 0.000 0.535 115 K N 0.474 120.465 120.400 -0.682 0.000 2.283 115 K HA -0.051 4.269 4.320 -0.001 0.000 0.202 115 K C 1.729 178.212 176.600 -0.195 0.000 1.048 115 K CA 1.421 57.440 56.287 -0.447 0.000 0.948 115 K CB 0.261 32.505 32.500 -0.428 0.000 0.742 115 K HN 0.570 nan 8.250 nan 0.000 0.458 116 E N -0.269 119.839 120.200 -0.152 0.000 2.465 116 E HA 0.067 4.417 4.350 -0.001 0.000 0.209 116 E C 0.009 176.559 176.600 -0.084 0.000 0.951 116 E CA -0.143 56.192 56.400 -0.108 0.000 0.997 116 E CB 0.538 30.165 29.700 -0.122 0.000 1.025 116 E HN 0.046 nan 8.360 nan 0.000 0.500 117 R N 1.930 122.391 120.500 -0.066 0.000 2.441 117 R HA 0.167 4.506 4.340 -0.001 0.000 0.300 117 R C -0.924 175.357 176.300 -0.032 0.000 1.284 117 R CA 0.155 56.226 56.100 -0.048 0.000 1.069 117 R CB 0.199 30.491 30.300 -0.014 0.000 1.087 117 R HN -0.078 nan 8.270 nan 0.000 0.519 118 L N 3.880 125.082 121.223 -0.035 0.000 2.415 118 L HA 0.368 4.707 4.340 -0.001 0.000 0.268 118 L C -0.540 176.329 176.870 -0.001 0.000 0.984 118 L CA -0.672 54.165 54.840 -0.005 0.000 0.853 118 L CB 1.794 43.851 42.059 -0.004 0.000 1.215 118 L HN 0.161 nan 8.230 nan 0.000 0.419 119 V N 4.863 124.787 119.914 0.016 0.000 2.378 119 V HA 0.443 4.562 4.120 -0.001 0.000 0.288 119 V C -2.130 174.118 176.094 0.257 0.000 1.016 119 V CA -1.861 60.448 62.300 0.016 0.000 0.840 119 V CB 1.988 33.621 31.823 -0.318 0.000 0.994 119 V HN 0.506 nan 8.190 nan 0.000 0.431 120 P HA 0.279 nan 4.420 nan 0.000 0.268 120 P C -0.850 176.709 177.300 0.432 0.000 1.204 120 P CA 0.266 63.507 63.100 0.234 0.000 0.768 120 P CB 0.172 31.939 31.700 0.112 0.000 0.842 121 F N -0.498 119.514 119.950 0.105 0.000 2.662 121 F HA 0.752 5.279 4.527 -0.001 0.000 0.312 121 F C -0.894 174.840 175.800 -0.111 0.000 1.113 121 F CA -1.219 56.791 58.000 0.017 0.000 0.951 121 F CB 1.307 40.273 39.000 -0.056 0.000 1.344 121 F HN 0.193 nan 8.300 nan 0.000 0.462 122 S N 0.092 115.699 115.700 -0.155 0.000 2.503 122 S HA 0.348 4.818 4.470 -0.001 0.000 0.301 122 S C 0.412 174.917 174.600 -0.158 0.000 1.087 122 S CA -0.579 57.448 58.200 -0.288 0.000 1.042 122 S CB 0.635 63.772 63.200 -0.105 0.000 1.043 122 S HN 0.801 nan 8.310 nan 0.000 0.489 123 H N 2.970 121.968 119.070 -0.119 0.000 2.489 123 H HA -0.064 4.492 4.556 -0.000 0.000 0.295 123 H C 1.595 176.945 175.328 0.037 0.000 1.082 123 H CA 1.597 57.652 56.048 0.012 0.000 1.295 123 H CB 0.136 29.856 29.762 -0.071 0.000 1.380 123 H HN 0.713 nan 8.280 nan 0.000 0.548 124 Q N 0.058 119.920 119.800 0.102 0.000 2.291 124 Q HA -0.095 4.245 4.340 -0.001 0.000 0.206 124 Q C 0.892 176.915 176.000 0.037 0.000 0.976 124 Q CA 0.732 56.574 55.803 0.065 0.000 0.875 124 Q CB 0.279 29.038 28.738 0.035 0.000 0.927 124 Q HN 0.326 nan 8.270 nan 0.000 0.450 125 Q N 0.283 120.102 119.800 0.032 0.000 2.182 125 Q HA 0.174 4.514 4.340 -0.001 0.000 0.270 125 Q C -0.964 175.009 176.000 -0.045 0.000 0.861 125 Q CA 0.087 55.885 55.803 -0.009 0.000 1.098 125 Q CB 0.959 29.689 28.738 -0.014 0.000 1.188 125 Q HN 0.293 nan 8.270 nan 0.000 0.464 126 E N 0.814 121.005 120.200 -0.014 0.000 2.234 126 E HA 0.340 4.689 4.350 -0.001 0.000 0.266 126 E C -1.242 175.273 176.600 -0.143 0.000 0.877 126 E CA -0.419 55.920 56.400 -0.102 0.000 0.758 126 E CB 1.359 31.137 29.700 0.130 0.000 1.170 126 E HN -0.140 nan 8.360 nan 0.000 0.415 127 K N 3.447 123.655 120.400 -0.321 0.000 2.572 127 K HA 0.500 4.820 4.320 -0.001 0.000 0.244 127 K C -1.580 174.804 176.600 -0.361 0.000 0.965 127 K CA -0.520 55.613 56.287 -0.257 0.000 0.943 127 K CB 1.349 33.723 32.500 -0.210 0.000 1.154 127 K HN 0.475 nan 8.250 nan 0.000 0.447 128 A N 3.017 125.709 122.820 -0.212 0.000 2.276 128 A HA 0.472 4.792 4.320 -0.001 0.000 0.300 128 A C -0.108 177.343 177.584 -0.221 0.000 1.235 128 A CA -0.307 51.665 52.037 -0.108 0.000 0.867 128 A CB 0.522 19.580 19.000 0.096 0.000 1.137 128 A HN 0.765 nan 8.150 nan 0.000 0.527 129 T N -0.150 114.196 114.554 -0.347 0.000 2.887 129 T HA 0.667 5.016 4.350 -0.001 0.000 0.292 129 T C -2.557 171.797 174.700 -0.576 0.000 1.087 129 T CA -1.700 60.066 62.100 -0.556 0.000 1.009 129 T CB 1.738 70.050 68.868 -0.926 0.000 1.203 129 T HN 0.129 nan 8.240 nan 0.000 0.518 130 P HA 0.017 nan 4.420 nan 0.000 0.221 130 P C 0.798 177.967 177.300 -0.218 0.000 1.150 130 P CA 0.864 63.594 63.100 -0.615 0.000 0.800 130 P CB -0.305 30.608 31.700 -1.312 0.000 0.787 131 Y N -2.629 117.597 120.300 -0.123 0.000 2.449 131 Y HA 0.474 5.024 4.550 -0.001 0.000 0.254 131 Y C 0.011 175.898 175.900 -0.022 0.000 1.140 131 Y CA -0.888 57.235 58.100 0.038 0.000 1.272 131 Y CB -0.366 38.145 38.460 0.084 0.000 1.114 131 Y HN -0.206 nan 8.280 nan 0.000 0.525 132 N N -0.118 118.313 118.700 -0.448 0.000 2.635 132 N HA 0.161 4.901 4.740 -0.001 0.000 0.260 132 N C -2.460 172.887 175.510 -0.271 0.000 1.078 132 N CA -0.615 52.256 53.050 -0.299 0.000 1.012 132 N CB 0.988 39.329 38.487 -0.243 0.000 1.677 132 N HN 0.213 nan 8.380 nan 0.000 0.514 133 Y N 2.557 122.695 120.300 -0.269 0.000 2.335 133 Y HA 0.675 5.225 4.550 -0.001 0.000 0.338 133 Y C -0.841 174.944 175.900 -0.193 0.000 0.977 133 Y CA -0.359 57.621 58.100 -0.200 0.000 1.114 133 Y CB 1.400 39.794 38.460 -0.110 0.000 1.182 133 Y HN 0.448 nan 8.280 nan 0.000 0.463 134 S N 5.639 120.988 115.700 -0.585 0.000 2.521 134 S HA 0.813 5.283 4.470 -0.001 0.000 0.295 134 S C -2.033 172.225 174.600 -0.569 0.000 1.098 134 S CA -0.563 57.381 58.200 -0.426 0.000 0.999 134 S CB 1.326 64.358 63.200 -0.281 0.000 1.034 134 S HN 0.732 nan 8.310 nan 0.000 0.483 135 V N 3.802 123.501 119.914 -0.357 0.000 2.888 135 V HA 0.731 4.851 4.120 -0.001 0.000 0.309 135 V C -1.046 174.836 176.094 -0.353 0.000 1.114 135 V CA -0.241 61.836 62.300 -0.372 0.000 0.940 135 V CB 2.523 34.113 31.823 -0.389 0.000 1.021 135 V HN 0.973 nan 8.190 nan 0.000 0.426 136 T N 6.786 121.158 114.554 -0.304 0.000 2.786 136 T HA 0.595 4.944 4.350 -0.001 0.000 0.283 136 T C -0.580 173.999 174.700 -0.202 0.000 0.992 136 T CA 0.000 61.982 62.100 -0.197 0.000 0.954 136 T CB 0.655 69.482 68.868 -0.068 0.000 0.934 136 T HN 0.396 nan 8.240 nan 0.000 0.440 137 F N 2.003 122.020 119.950 0.112 0.000 2.440 137 F HA 0.238 4.765 4.527 -0.000 0.000 0.323 137 F C 1.943 177.809 175.800 0.110 0.000 1.192 137 F CA -0.694 57.394 58.000 0.146 0.000 1.252 137 F CB 0.382 39.465 39.000 0.138 0.000 1.214 137 F HN 0.419 nan 8.300 nan 0.000 0.578 138 N N 1.109 119.990 118.700 0.301 0.000 2.272 138 N HA -0.201 4.538 4.740 -0.001 0.000 0.185 138 N C 1.186 176.787 175.510 0.151 0.000 1.014 138 N CA 1.247 54.399 53.050 0.170 0.000 0.870 138 N CB -0.617 37.947 38.487 0.128 0.000 0.975 138 N HN 0.566 nan 8.380 nan 0.000 0.433 139 N N -0.525 118.289 118.700 0.189 0.000 2.461 139 N HA 0.071 4.811 4.740 -0.001 0.000 0.188 139 N C 1.090 176.685 175.510 0.142 0.000 1.134 139 N CA 0.853 53.988 53.050 0.143 0.000 0.878 139 N CB -0.134 38.430 38.487 0.129 0.000 0.972 139 N HN 0.210 nan 8.380 nan 0.000 0.456 140 G N -0.294 108.600 108.800 0.158 0.000 2.213 140 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.236 140 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.236 140 G C -0.178 174.807 174.900 0.141 0.000 0.991 140 G CA 0.142 45.316 45.100 0.124 0.000 0.629 140 G HN 0.498 nan 8.290 nan 0.000 0.517 141 L N 1.421 122.770 121.223 0.211 0.000 2.455 141 L HA 0.523 4.862 4.340 -0.001 0.000 0.272 141 L C 0.426 177.426 176.870 0.216 0.000 1.174 141 L CA -0.084 54.878 54.840 0.204 0.000 0.869 141 L CB 0.897 43.104 42.059 0.246 0.000 1.130 141 L HN 0.304 nan 8.230 nan 0.000 0.474 142 Q N 4.095 123.936 119.800 0.069 0.000 2.337 142 Q HA 0.403 4.743 4.340 -0.001 0.000 0.266 142 Q C -1.366 174.620 176.000 -0.024 0.000 1.023 142 Q CA -0.403 55.406 55.803 0.010 0.000 0.829 142 Q CB 2.105 30.825 28.738 -0.031 0.000 1.306 142 Q HN 0.718 nan 8.270 nan 0.000 0.449 143 T N 1.313 115.851 114.554 -0.027 0.000 2.916 143 T HA 0.650 4.999 4.350 -0.001 0.000 0.305 143 T C -1.470 173.143 174.700 -0.145 0.000 1.119 143 T CA -0.250 61.810 62.100 -0.067 0.000 1.008 143 T CB 1.275 70.142 68.868 -0.001 0.000 1.129 143 T HN 0.678 nan 8.240 nan 0.000 0.480 144 S N 3.812 119.402 115.700 -0.182 0.000 2.588 144 S HA 0.881 5.351 4.470 -0.001 0.000 0.275 144 S C -1.264 173.112 174.600 -0.374 0.000 1.130 144 S CA -0.881 57.174 58.200 -0.241 0.000 0.855 144 S CB 1.338 64.424 63.200 -0.190 0.000 1.116 144 S HN 1.078 nan 8.310 nan 0.000 0.472 145 L N -0.576 120.369 121.223 -0.463 0.000 2.445 145 L HA 0.969 5.309 4.340 -0.001 0.000 0.262 145 L C -0.917 175.688 176.870 -0.441 0.000 0.974 145 L CA -0.687 53.718 54.840 -0.725 0.000 0.822 145 L CB 2.048 43.246 42.059 -1.435 0.000 1.339 145 L HN 0.613 nan 8.230 nan 0.000 0.409 146 S N 0.871 116.329 115.700 -0.403 0.000 2.548 146 S HA 0.926 5.396 4.470 -0.001 0.000 0.286 146 S C -0.479 173.981 174.600 -0.233 0.000 1.098 146 S CA -0.462 57.611 58.200 -0.212 0.000 0.930 146 S CB 1.956 65.103 63.200 -0.089 0.000 1.070 146 S HN 1.024 nan 8.310 nan 0.000 0.480 147 A N 1.702 124.475 122.820 -0.078 0.000 2.337 147 A HA 0.854 5.174 4.320 -0.001 0.000 0.331 147 A C 0.420 178.046 177.584 0.069 0.000 1.137 147 A CA -0.646 51.384 52.037 -0.010 0.000 0.807 147 A CB 0.706 19.821 19.000 0.192 0.000 1.250 147 A HN 0.807 nan 8.150 nan 0.000 0.468 148 T N -1.396 113.205 114.554 0.078 0.000 2.893 148 T HA 0.401 4.750 4.350 -0.001 0.000 0.281 148 T C 1.300 176.095 174.700 0.159 0.000 1.027 148 T CA 0.370 62.529 62.100 0.098 0.000 0.953 148 T CB 0.443 69.349 68.868 0.064 0.000 1.434 148 T HN 0.402 nan 8.240 nan 0.000 0.597 149 S N 0.137 115.921 115.700 0.141 0.000 2.370 149 S HA -0.058 4.412 4.470 -0.001 0.000 0.226 149 S C 1.826 176.541 174.600 0.192 0.000 1.033 149 S CA 1.184 59.478 58.200 0.157 0.000 1.011 149 S CB -0.345 62.931 63.200 0.127 0.000 0.852 149 S HN 0.647 nan 8.310 nan 0.000 0.457 150 R N -0.516 120.099 120.500 0.191 0.000 2.521 150 R HA 0.302 4.642 4.340 -0.001 0.000 0.289 150 R C 0.675 177.140 176.300 0.276 0.000 0.936 150 R CA 0.125 56.353 56.100 0.214 0.000 1.089 150 R CB 1.191 31.591 30.300 0.167 0.000 1.348 150 R HN 0.306 nan 8.270 nan 0.000 0.536 151 G N 0.090 109.038 108.800 0.246 0.000 3.015 151 G HA2 0.794 4.753 3.960 -0.001 0.000 0.281 151 G HA3 0.794 4.753 3.960 -0.001 0.000 0.281 151 G C -1.629 173.332 174.900 0.102 0.000 1.386 151 G CA -0.363 44.874 45.100 0.229 0.000 0.959 151 G HN 0.127 nan 8.290 nan 0.000 0.522 152 A N -1.412 121.349 122.820 -0.098 0.000 2.606 152 A HA 0.785 5.104 4.320 -0.001 0.000 0.293 152 A C -1.615 175.791 177.584 -0.297 0.000 1.082 152 A CA -0.485 51.296 52.037 -0.427 0.000 0.685 152 A CB 1.828 20.057 19.000 -1.286 0.000 1.284 152 A HN 1.376 nan 8.150 nan 0.000 0.408 153 V N 0.951 120.668 119.914 -0.328 0.000 2.588 153 V HA 0.578 4.697 4.120 -0.001 0.000 0.304 153 V C -1.098 174.829 176.094 -0.278 0.000 1.042 153 V CA -0.304 61.886 62.300 -0.183 0.000 0.877 153 V CB 1.468 33.208 31.823 -0.138 0.000 0.996 153 V HN 0.752 nan 8.190 nan 0.000 0.425 154 F N 2.050 121.848 119.950 -0.253 0.000 2.470 154 F HA 0.610 5.137 4.527 -0.000 0.000 0.329 154 F C 0.378 176.074 175.800 -0.173 0.000 1.072 154 F CA -0.412 57.441 58.000 -0.245 0.000 0.989 154 F CB 1.749 40.603 39.000 -0.244 0.000 1.193 154 F HN 0.465 nan 8.300 nan 0.000 0.481 155 E N 1.425 121.626 120.200 0.002 0.000 2.238 155 E HA 0.671 5.021 4.350 -0.001 0.000 0.267 155 E C -1.912 174.652 176.600 -0.061 0.000 0.887 155 E CA -0.687 55.696 56.400 -0.027 0.000 0.769 155 E CB 2.171 31.837 29.700 -0.057 0.000 1.187 155 E HN 0.411 nan 8.360 nan 0.000 0.416 156 V N 2.731 122.575 119.914 -0.118 0.000 2.577 156 V HA 0.316 4.436 4.120 -0.001 0.000 0.303 156 V C -0.572 175.340 176.094 -0.303 0.000 1.042 156 V CA -0.776 61.365 62.300 -0.264 0.000 0.872 156 V CB 1.815 33.361 31.823 -0.462 0.000 0.998 156 V HN 0.621 nan 8.190 nan 0.000 0.423 157 S N 4.820 120.364 115.700 -0.259 0.000 2.461 157 S HA 0.675 5.144 4.470 -0.001 0.000 0.322 157 S C -0.758 173.746 174.600 -0.159 0.000 1.063 157 S CA -0.392 57.719 58.200 -0.148 0.000 1.120 157 S CB -0.070 63.095 63.200 -0.059 0.000 0.968 157 S HN 0.372 nan 8.310 nan 0.000 0.467 158 F N 4.918 124.875 119.950 0.011 0.000 2.399 158 F HA 0.409 4.935 4.527 -0.000 0.000 0.342 158 F C -1.653 174.166 175.800 0.032 0.000 1.106 158 F CA -1.878 56.140 58.000 0.029 0.000 1.196 158 F CB 0.287 39.290 39.000 0.005 0.000 1.163 158 F HN 0.393 nan 8.300 nan 0.000 0.547 159 P HA 0.062 nan 4.420 nan 0.000 0.268 159 P C -0.746 176.631 177.300 0.128 0.000 1.205 159 P CA -0.167 63.025 63.100 0.153 0.000 0.771 159 P CB 0.426 32.210 31.700 0.140 0.000 0.858 160 E N 1.452 121.703 120.200 0.086 0.000 2.404 160 E HA 0.288 4.638 4.350 -0.001 0.000 0.261 160 E C 0.923 177.547 176.600 0.040 0.000 1.074 160 E CA 0.223 56.657 56.400 0.057 0.000 0.917 160 E CB 0.058 29.785 29.700 0.044 0.000 0.965 160 E HN 0.442 nan 8.360 nan 0.000 0.433 161 K N 0.741 121.152 120.400 0.018 0.000 3.274 161 K HA -0.199 4.121 4.320 -0.001 0.000 0.300 161 K C -0.266 176.337 176.600 0.006 0.000 1.230 161 K CA 1.979 58.270 56.287 0.007 0.000 0.884 161 K CB -2.108 30.399 32.500 0.013 0.000 1.242 161 K HN 0.471 nan 8.250 nan 0.000 0.467 162 E N 0.930 121.135 120.200 0.008 0.000 2.277 162 E HA 0.415 4.765 4.350 -0.001 0.000 0.266 162 E C -0.857 175.710 176.600 -0.054 0.000 0.901 162 E CA -1.000 55.404 56.400 0.007 0.000 0.782 162 E CB 1.261 30.994 29.700 0.056 0.000 1.228 162 E HN 0.399 nan 8.360 nan 0.000 0.424 163 D N 1.641 121.998 120.400 -0.072 0.000 2.449 163 D HA 0.012 4.651 4.640 -0.001 0.000 0.236 163 D C -0.209 175.896 176.300 -0.326 0.000 1.149 163 D CA 0.636 54.501 54.000 -0.226 0.000 0.878 163 D CB 0.609 41.301 40.800 -0.180 0.000 1.198 163 D HN 0.185 nan 8.370 nan 0.000 0.446 164 Q N 1.331 120.752 119.800 -0.632 0.000 2.341 164 Q HA 0.419 4.759 4.340 -0.001 0.000 0.268 164 Q C -1.087 174.521 176.000 -0.654 0.000 1.013 164 Q CA -0.605 54.694 55.803 -0.840 0.000 0.798 164 Q CB 1.400 29.272 28.738 -1.443 0.000 1.253 164 Q HN 0.384 nan 8.270 nan 0.000 0.457 165 Y N 0.098 120.443 120.300 0.076 0.000 2.570 165 Y HA 0.649 5.199 4.550 -0.001 0.000 0.345 165 Y C -0.252 175.905 175.900 0.428 0.000 1.014 165 Y CA -1.130 57.101 58.100 0.218 0.000 1.063 165 Y CB 1.767 40.303 38.460 0.126 0.000 1.272 165 Y HN 0.263 nan 8.280 nan 0.000 0.477 166 V N 2.625 122.892 119.914 0.587 0.000 2.588 166 V HA 0.490 4.609 4.120 -0.001 0.000 0.304 166 V C -0.930 175.387 176.094 0.371 0.000 1.042 166 V CA -0.909 61.678 62.300 0.478 0.000 0.877 166 V CB 1.869 34.010 31.823 0.530 0.000 0.996 166 V HN 0.524 nan 8.190 nan 0.000 0.425 167 V N 5.442 125.535 119.914 0.298 0.000 2.435 167 V HA 0.477 4.597 4.120 -0.001 0.000 0.290 167 V C -0.171 176.076 176.094 0.255 0.000 1.030 167 V CA -0.570 61.876 62.300 0.243 0.000 0.881 167 V CB 1.940 33.855 31.823 0.152 0.000 0.983 167 V HN 0.604 nan 8.190 nan 0.000 0.445 168 V N 3.948 124.017 119.914 0.258 0.000 2.398 168 V HA 0.409 4.529 4.120 -0.001 0.000 0.286 168 V C -0.292 175.942 176.094 0.233 0.000 1.026 168 V CA -0.443 62.021 62.300 0.273 0.000 0.868 168 V CB 1.724 33.728 31.823 0.302 0.000 0.982 168 V HN 0.885 nan 8.190 nan 0.000 0.443 169 D N 4.069 124.621 120.400 0.252 0.000 2.414 169 D HA 0.486 5.126 4.640 -0.001 0.000 0.232 169 D C 0.444 176.929 176.300 0.309 0.000 1.070 169 D CA -0.404 53.747 54.000 0.252 0.000 0.839 169 D CB 2.153 43.116 40.800 0.273 0.000 1.079 169 D HN 0.571 nan 8.370 nan 0.000 0.521 170 A N 4.115 127.108 122.820 0.289 0.000 2.307 170 A HA 0.216 4.535 4.320 -0.001 0.000 0.218 170 A C 0.278 178.135 177.584 0.455 0.000 1.228 170 A CA -0.059 52.186 52.037 0.348 0.000 0.857 170 A CB -0.605 18.610 19.000 0.358 0.000 0.897 170 A HN 0.735 nan 8.150 nan 0.000 0.495 171 Y N -0.919 119.557 120.300 0.294 0.000 2.500 171 Y HA -0.283 4.267 4.550 -0.001 0.000 0.037 171 Y C 0.366 176.494 175.900 0.380 0.000 1.695 171 Y CA 0.439 58.689 58.100 0.250 0.000 1.424 171 Y CB -0.309 38.173 38.460 0.037 0.000 2.069 171 Y HN 0.661 nan 8.280 nan 0.000 0.253 172 N N 1.005 119.869 118.700 0.274 0.000 2.491 172 N HA 0.573 5.313 4.740 -0.001 0.000 0.279 172 N C 0.774 176.535 175.510 0.417 0.000 1.236 172 N CA 0.029 53.260 53.050 0.301 0.000 0.982 172 N CB 1.571 40.093 38.487 0.057 0.000 1.194 172 N HN 1.652 nan 8.380 nan 0.000 0.582 173 G N -2.974 106.013 108.800 0.312 0.000 2.159 173 G HA2 0.198 4.157 3.960 -0.001 0.000 0.227 173 G HA3 0.198 4.157 3.960 -0.001 0.000 0.227 173 G C 0.510 175.547 174.900 0.228 0.000 0.986 173 G CA 0.326 45.595 45.100 0.282 0.000 0.651 173 G HN 1.779 nan 8.290 nan 0.000 0.523 174 G N -1.210 107.717 108.800 0.212 0.000 2.859 174 G HA2 0.463 4.423 3.960 -0.001 0.000 0.251 174 G HA3 0.463 4.423 3.960 -0.001 0.000 0.251 174 G C 0.031 175.022 174.900 0.152 0.000 0.978 174 G CA 0.679 45.873 45.100 0.156 0.000 1.270 174 G HN 2.142 nan 8.290 nan 0.000 0.601 175 S N -0.535 115.257 115.700 0.153 0.000 2.726 175 S HA 0.956 5.426 4.470 -0.001 0.000 0.308 175 S C 0.075 174.722 174.600 0.078 0.000 1.115 175 S CA -0.009 58.275 58.200 0.139 0.000 0.965 175 S CB 2.571 65.901 63.200 0.217 0.000 1.145 175 S HN 2.182 nan 8.310 nan 0.000 0.532 176 S N -0.430 115.301 115.700 0.050 0.000 2.537 176 S HA 0.771 5.240 4.470 -0.001 0.000 0.270 176 S C -1.266 173.319 174.600 -0.025 0.000 1.142 176 S CA -0.908 57.294 58.200 0.003 0.000 0.870 176 S CB 0.570 63.756 63.200 -0.023 0.000 1.112 176 S HN 0.769 nan 8.310 nan 0.000 0.466 177 I N 1.219 121.774 120.570 -0.025 0.000 2.769 177 I HA 0.587 4.756 4.170 -0.001 0.000 0.298 177 I C -0.879 175.201 176.117 -0.062 0.000 1.128 177 I CA -0.577 60.701 61.300 -0.037 0.000 1.031 177 I CB 2.889 40.925 38.000 0.061 0.000 1.235 177 I HN 0.719 nan 8.210 nan 0.000 0.423 178 T N 5.621 120.119 114.554 -0.093 0.000 2.928 178 T HA 0.593 4.943 4.350 -0.001 0.000 0.296 178 T C -0.434 174.207 174.700 -0.099 0.000 1.000 178 T CA -0.358 61.684 62.100 -0.097 0.000 0.989 178 T CB 1.231 70.031 68.868 -0.114 0.000 1.005 178 T HN 0.243 nan 8.240 nan 0.000 0.442 179 I N 2.557 123.051 120.570 -0.128 0.000 2.385 179 I HA 0.381 4.551 4.170 -0.001 0.000 0.294 179 I C 0.374 176.354 176.117 -0.228 0.000 0.988 179 I CA -0.609 60.586 61.300 -0.175 0.000 1.265 179 I CB 1.407 39.240 38.000 -0.278 0.000 1.388 179 I HN 0.587 nan 8.210 nan 0.000 0.480 180 E N 6.962 127.050 120.200 -0.186 0.000 2.683 180 E HA 0.211 4.560 4.350 -0.001 0.000 0.224 180 E C -1.984 174.502 176.600 -0.191 0.000 1.046 180 E CA -1.523 54.766 56.400 -0.184 0.000 0.811 180 E CB 1.157 30.787 29.700 -0.117 0.000 1.296 180 E HN 0.383 nan 8.360 nan 0.000 0.421 181 P HA -0.254 nan 4.420 nan 0.000 0.215 181 P C 1.459 178.686 177.300 -0.123 0.000 1.157 181 P CA 1.679 64.592 63.100 -0.312 0.000 0.874 181 P CB 0.330 31.711 31.700 -0.531 0.000 0.790 182 E N 0.706 120.845 120.200 -0.102 0.000 2.204 182 E HA -0.196 4.154 4.350 -0.001 0.000 0.194 182 E C 1.724 178.317 176.600 -0.013 0.000 0.989 182 E CA 1.405 57.783 56.400 -0.037 0.000 0.824 182 E CB -1.266 28.414 29.700 -0.032 0.000 0.756 182 E HN 0.428 nan 8.360 nan 0.000 0.477 183 K N -1.167 119.219 120.400 -0.024 0.000 2.404 183 K HA 0.226 4.546 4.320 -0.001 0.000 0.194 183 K C 0.297 176.925 176.600 0.046 0.000 1.023 183 K CA 0.144 56.431 56.287 -0.000 0.000 1.094 183 K CB 0.454 32.937 32.500 -0.028 0.000 0.841 183 K HN 0.197 nan 8.250 nan 0.000 0.523 184 R N 0.762 121.305 120.500 0.073 0.000 3.525 184 R HA -0.167 4.173 4.340 -0.001 0.000 0.276 184 R C -0.869 175.586 176.300 0.259 0.000 1.116 184 R CA 0.398 56.618 56.100 0.202 0.000 0.745 184 R CB -2.163 28.292 30.300 0.258 0.000 1.185 184 R HN 0.175 nan 8.270 nan 0.000 0.454 185 L N -0.218 121.082 121.223 0.128 0.000 2.342 185 L HA 0.753 5.093 4.340 -0.001 0.000 0.271 185 L C 0.076 177.005 176.870 0.099 0.000 1.008 185 L CA -1.260 53.629 54.840 0.081 0.000 0.818 185 L CB 2.233 44.263 42.059 -0.049 0.000 1.296 185 L HN -0.224 nan 8.230 nan 0.000 0.427 186 V N 1.918 121.904 119.914 0.120 0.000 2.709 186 V HA 0.521 4.640 4.120 -0.001 0.000 0.308 186 V C -0.529 175.566 176.094 0.000 0.000 1.062 186 V CA -0.798 61.563 62.300 0.101 0.000 0.901 186 V CB 2.253 34.240 31.823 0.272 0.000 1.003 186 V HN 0.698 nan 8.190 nan 0.000 0.425 187 K N 1.946 122.276 120.400 -0.118 0.000 2.443 187 K HA 0.911 5.231 4.320 -0.001 0.000 0.251 187 K C -0.212 176.053 176.600 -0.559 0.000 0.972 187 K CA -0.711 55.382 56.287 -0.324 0.000 0.833 187 K CB 2.838 35.181 32.500 -0.263 0.000 1.317 187 K HN 0.952 nan 8.250 nan 0.000 0.441 188 G N -0.270 107.825 108.800 -1.175 0.000 2.548 188 G HA2 0.663 4.623 3.960 -0.001 0.000 0.301 188 G HA3 0.663 4.623 3.960 -0.001 0.000 0.301 188 G C -1.978 172.280 174.900 -1.070 0.000 1.349 188 G CA -0.633 43.797 45.100 -1.118 0.000 0.792 188 G HN 0.604 nan 8.290 nan 0.000 0.481 189 A N -0.587 121.948 122.820 -0.475 0.000 2.422 189 A HA 0.855 5.175 4.320 -0.001 0.000 0.302 189 A C -0.463 177.128 177.584 0.013 0.000 1.041 189 A CA -0.039 51.836 52.037 -0.269 0.000 0.708 189 A CB 1.971 20.831 19.000 -0.234 0.000 1.257 189 A HN 1.511 nan 8.150 nan 0.000 0.414 190 T N 0.730 115.326 114.554 0.071 0.000 2.829 190 T HA 0.575 4.925 4.350 -0.001 0.000 0.280 190 T C 0.397 175.155 174.700 0.098 0.000 0.999 190 T CA -0.488 61.726 62.100 0.189 0.000 0.983 190 T CB 0.743 69.793 68.868 0.303 0.000 0.968 190 T HN 0.639 nan 8.240 nan 0.000 0.446 191 R N 2.383 123.019 120.500 0.226 0.000 2.509 191 R HA 0.139 4.478 4.340 -0.001 0.000 0.297 191 R C -0.376 176.214 176.300 0.483 0.000 0.951 191 R CA -0.478 55.802 56.100 0.300 0.000 1.103 191 R CB 0.309 30.727 30.300 0.198 0.000 1.283 191 R HN 0.684 nan 8.270 nan 0.000 0.534 192 Y N 3.321 123.819 120.300 0.331 0.000 2.904 192 Y HA -0.168 4.382 4.550 -0.001 0.000 0.336 192 Y C 0.070 176.147 175.900 0.295 0.000 1.263 192 Y CA 0.287 58.562 58.100 0.293 0.000 1.547 192 Y CB 0.184 38.802 38.460 0.264 0.000 1.272 192 Y HN 0.278 nan 8.280 nan 0.000 0.596 193 N N 1.852 120.245 118.700 -0.512 0.000 2.927 193 N HA 0.311 5.051 4.740 -0.001 0.000 0.248 193 N C -1.709 173.462 175.510 -0.566 0.000 1.443 193 N CA -1.020 51.764 53.050 -0.444 0.000 0.870 193 N CB 0.868 39.146 38.487 -0.349 0.000 1.444 193 N HN 0.505 nan 8.380 nan 0.000 0.519 194 N N -0.665 117.832 118.700 -0.339 0.000 2.416 194 N HA 0.350 5.090 4.740 -0.001 0.000 0.267 194 N C -0.372 175.025 175.510 -0.188 0.000 1.294 194 N CA 0.371 53.282 53.050 -0.232 0.000 0.891 194 N CB 0.815 39.221 38.487 -0.135 0.000 1.238 194 N HN 0.907 nan 8.380 nan 0.000 0.508 195 G N -0.581 108.087 108.800 -0.220 0.000 2.525 195 G HA2 0.087 4.047 3.960 -0.001 0.000 0.685 195 G HA3 0.087 4.047 3.960 -0.001 0.000 0.685 195 G C 0.327 175.067 174.900 -0.268 0.000 1.290 195 G CA -0.206 44.776 45.100 -0.196 0.000 0.915 195 G HN 0.396 nan 8.290 nan 0.000 0.548 196 G N -2.279 106.386 108.800 -0.225 0.000 2.273 196 G HA2 0.272 4.231 3.960 -0.001 0.000 0.280 196 G HA3 0.272 4.231 3.960 -0.001 0.000 0.280 196 G C 0.855 175.526 174.900 -0.382 0.000 1.047 196 G CA 1.550 46.487 45.100 -0.270 0.000 0.869 196 G HN 2.442 nan 8.290 nan 0.000 0.502 197 V N -3.367 116.355 119.914 -0.321 0.000 2.823 197 V HA 0.940 5.060 4.120 -0.001 0.000 0.312 197 V C -1.853 174.200 176.094 -0.068 0.000 1.072 197 V CA -2.643 59.473 62.300 -0.308 0.000 0.937 197 V CB 1.984 33.448 31.823 -0.598 0.000 1.013 197 V HN 0.077 nan 8.190 nan 0.000 0.430 198 P HA 0.363 nan 4.420 nan 0.000 0.272 198 P C 0.016 177.439 177.300 0.205 0.000 1.240 198 P CA -0.205 62.982 63.100 0.144 0.000 0.791 198 P CB 0.561 32.379 31.700 0.197 0.000 0.978 199 D N 0.324 120.824 120.400 0.166 0.000 2.182 199 D HA -0.143 4.496 4.640 -0.001 0.000 0.201 199 D C 1.102 177.520 176.300 0.197 0.000 0.986 199 D CA 1.308 55.401 54.000 0.157 0.000 0.847 199 D CB -0.486 40.384 40.800 0.117 0.000 0.942 199 D HN 0.472 nan 8.370 nan 0.000 0.467 200 N N 0.232 119.078 118.700 0.243 0.000 2.314 200 N HA -0.090 4.650 4.740 -0.001 0.000 0.200 200 N C 0.118 175.776 175.510 0.248 0.000 1.135 200 N CA -0.428 52.763 53.050 0.235 0.000 0.835 200 N CB -0.933 37.699 38.487 0.242 0.000 0.989 200 N HN 0.063 nan 8.380 nan 0.000 0.478 201 F N 2.064 122.110 119.950 0.160 0.000 2.607 201 F HA 0.357 4.884 4.527 -0.001 0.000 0.374 201 F C 0.138 175.913 175.800 -0.040 0.000 1.104 201 F CA -0.348 57.697 58.000 0.075 0.000 1.296 201 F CB 0.285 39.362 39.000 0.129 0.000 1.085 201 F HN 0.263 nan 8.300 nan 0.000 0.584 202 A N 4.715 126.796 122.820 -1.232 0.000 2.608 202 A HA 0.458 4.778 4.320 -0.001 0.000 0.292 202 A C -1.696 175.112 177.584 -1.293 0.000 1.066 202 A CA -0.973 50.291 52.037 -1.288 0.000 0.676 202 A CB 1.126 19.518 19.000 -1.012 0.000 1.277 202 A HN 0.808 nan 8.150 nan 0.000 0.413 203 N N 0.106 118.247 118.700 -0.932 0.000 2.408 203 N HA 0.613 5.353 4.740 -0.001 0.000 0.280 203 N C -1.751 173.397 175.510 -0.603 0.000 1.002 203 N CA -0.133 52.475 53.050 -0.736 0.000 0.907 203 N CB 0.473 38.689 38.487 -0.451 0.000 1.161 203 N HN 0.450 nan 8.380 nan 0.000 0.488 204 Y N 3.814 123.957 120.300 -0.261 0.000 2.335 204 Y HA 0.373 4.922 4.550 -0.001 0.000 0.339 204 Y C -0.386 175.429 175.900 -0.142 0.000 0.987 204 Y CA -0.830 57.128 58.100 -0.236 0.000 1.140 204 Y CB 0.408 38.733 38.460 -0.225 0.000 1.173 204 Y HN 0.371 nan 8.280 nan 0.000 0.486 205 F N 2.042 121.916 119.950 -0.126 0.000 2.579 205 F HA 0.917 5.444 4.527 -0.001 0.000 0.324 205 F C -0.718 174.997 175.800 -0.142 0.000 1.058 205 F CA -1.799 56.099 58.000 -0.170 0.000 0.944 205 F CB 1.732 40.405 39.000 -0.545 0.000 1.245 205 F HN 0.384 nan 8.300 nan 0.000 0.477 206 M N 3.710 123.400 119.600 0.151 0.000 2.531 206 M HA 0.772 5.252 4.480 -0.001 0.000 0.286 206 M C -1.621 174.760 176.300 0.136 0.000 1.232 206 M CA -0.841 54.477 55.300 0.031 0.000 0.877 206 M CB 3.086 35.598 32.600 -0.145 0.000 1.726 206 M HN 0.975 nan 8.290 nan 0.000 0.463 207 M N 0.144 119.768 119.600 0.039 0.000 2.569 207 M HA 0.705 5.185 4.480 -0.001 0.000 0.279 207 M C -1.980 174.243 176.300 -0.128 0.000 1.253 207 M CA -0.457 54.852 55.300 0.016 0.000 0.867 207 M CB 2.747 35.333 32.600 -0.023 0.000 1.727 207 M HN 0.939 nan 8.290 nan 0.000 0.467 208 E N 1.685 121.808 120.200 -0.128 0.000 2.293 208 E HA 0.652 5.001 4.350 -0.001 0.000 0.270 208 E C -2.169 174.303 176.600 -0.214 0.000 0.879 208 E CA -0.590 55.772 56.400 -0.063 0.000 0.756 208 E CB 2.208 31.992 29.700 0.140 0.000 1.208 208 E HN 0.667 nan 8.360 nan 0.000 0.428 209 F N 1.375 121.429 119.950 0.173 0.000 2.492 209 F HA 0.191 4.718 4.527 -0.001 0.000 0.327 209 F C 1.571 177.465 175.800 0.156 0.000 1.079 209 F CA -0.521 57.580 58.000 0.167 0.000 0.967 209 F CB 2.087 41.253 39.000 0.276 0.000 1.169 209 F HN 0.568 nan 8.300 nan 0.000 0.472 210 S N -0.439 115.451 115.700 0.318 0.000 2.461 210 S HA 0.040 4.509 4.470 -0.001 0.000 0.228 210 S C 0.111 174.793 174.600 0.137 0.000 1.005 210 S CA 0.629 58.959 58.200 0.216 0.000 0.942 210 S CB -0.555 62.785 63.200 0.232 0.000 0.776 210 S HN 0.638 nan 8.310 nan 0.000 0.514 211 H N 1.312 120.488 119.070 0.178 0.000 2.679 211 H HA 0.607 5.162 4.556 -0.001 0.000 0.367 211 H C -2.887 172.621 175.328 0.300 0.000 1.162 211 H CA -1.869 54.292 56.048 0.189 0.000 1.181 211 H CB 0.730 30.574 29.762 0.137 0.000 1.693 211 H HN 0.031 nan 8.280 nan 0.000 0.538 212 P HA -0.053 nan 4.420 nan 0.000 0.264 212 P C -0.594 176.835 177.300 0.216 0.000 1.183 212 P CA 0.080 63.310 63.100 0.217 0.000 0.763 212 P CB 0.421 32.206 31.700 0.141 0.000 0.807 213 V N 5.597 125.551 119.914 0.066 0.000 2.427 213 V HA 0.014 4.134 4.120 -0.001 0.000 0.268 213 V C 1.573 177.616 176.094 -0.086 0.000 1.046 213 V CA 0.166 62.361 62.300 -0.175 0.000 0.970 213 V CB 0.496 32.198 31.823 -0.201 0.000 1.001 213 V HN 0.479 nan 8.190 nan 0.000 0.476 214 I N 2.352 122.832 120.570 -0.149 0.000 2.494 214 I HA 0.203 4.373 4.170 -0.001 0.000 0.250 214 I C 0.996 177.108 176.117 -0.009 0.000 1.112 214 I CA 1.025 62.293 61.300 -0.054 0.000 1.438 214 I CB -0.240 37.713 38.000 -0.079 0.000 1.111 214 I HN 0.586 nan 8.210 nan 0.000 0.431 215 E N 0.010 120.188 120.200 -0.037 0.000 2.446 215 E HA 0.557 4.906 4.350 -0.001 0.000 0.276 215 E C -1.480 175.108 176.600 -0.021 0.000 0.969 215 E CA -0.549 55.849 56.400 -0.003 0.000 0.800 215 E CB 2.772 32.515 29.700 0.072 0.000 1.341 215 E HN 0.107 nan 8.360 nan 0.000 0.460 216 Y N -2.595 117.576 120.300 -0.215 0.000 2.713 216 Y HA 0.763 5.313 4.550 -0.001 0.000 0.335 216 Y C -0.327 175.051 175.900 -0.870 0.000 1.222 216 Y CA -0.766 56.942 58.100 -0.653 0.000 1.061 216 Y CB 1.367 39.571 38.460 -0.427 0.000 1.314 216 Y HN 0.730 nan 8.280 nan 0.000 0.453 217 G N -0.177 108.075 108.800 -0.913 0.000 2.328 217 G HA2 0.553 4.513 3.960 -0.001 0.000 0.295 217 G HA3 0.553 4.513 3.960 -0.001 0.000 0.295 217 G C -1.453 173.309 174.900 -0.230 0.000 1.413 217 G CA -0.328 44.480 45.100 -0.487 0.000 0.817 217 G HN 1.335 nan 8.290 nan 0.000 0.546 218 T N -2.665 111.872 114.554 -0.029 0.000 2.864 218 T HA 0.784 5.134 4.350 -0.001 0.000 0.289 218 T C -1.482 173.290 174.700 0.121 0.000 1.082 218 T CA -0.890 61.239 62.100 0.047 0.000 1.009 218 T CB 2.443 71.318 68.868 0.012 0.000 1.234 218 T HN 1.664 nan 8.240 nan 0.000 0.526 219 Y N 1.614 121.881 120.300 -0.055 0.000 2.479 219 Y HA 0.512 5.062 4.550 -0.001 0.000 0.338 219 Y C -0.805 175.028 175.900 -0.112 0.000 1.055 219 Y CA -1.203 56.848 58.100 -0.082 0.000 1.023 219 Y CB 1.830 40.236 38.460 -0.091 0.000 1.287 219 Y HN 0.830 nan 8.280 nan 0.000 0.447 220 N N 2.446 120.749 118.700 -0.661 0.000 2.351 220 N HA 0.328 5.067 4.740 -0.001 0.000 0.254 220 N C 0.915 176.063 175.510 -0.604 0.000 1.241 220 N CA 0.154 52.907 53.050 -0.495 0.000 0.883 220 N CB 0.923 39.267 38.487 -0.238 0.000 1.202 220 N HN 1.155 nan 8.380 nan 0.000 0.512 221 G N -1.617 106.431 108.800 -1.254 0.000 2.253 221 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.251 221 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.251 221 G C 0.578 175.291 174.900 -0.311 0.000 0.998 221 G CA 1.002 45.787 45.100 -0.526 0.000 0.621 221 G HN 0.713 nan 8.290 nan 0.000 0.524 222 D N -1.260 118.913 120.400 -0.378 0.000 3.084 222 D HA 0.529 5.169 4.640 -0.001 0.000 0.294 222 D C 1.187 177.488 176.300 0.001 0.000 1.165 222 D CA 1.913 55.856 54.000 -0.096 0.000 1.008 222 D CB 0.213 40.971 40.800 -0.069 0.000 1.266 222 D HN 1.039 nan 8.370 nan 0.000 0.449 223 T N -0.532 113.989 114.554 -0.055 0.000 2.907 223 T HA 0.521 4.871 4.350 -0.001 0.000 0.292 223 T C -1.714 173.064 174.700 0.130 0.000 1.043 223 T CA -0.429 61.709 62.100 0.063 0.000 1.003 223 T CB 1.413 70.294 68.868 0.023 0.000 1.084 223 T HN 0.291 nan 8.240 nan 0.000 0.483 224 L N 4.552 125.867 121.223 0.153 0.000 2.265 224 L HA 0.748 5.088 4.340 -0.001 0.000 0.288 224 L C -0.341 176.455 176.870 -0.123 0.000 1.058 224 L CA -0.279 54.595 54.840 0.056 0.000 0.809 224 L CB 0.052 42.071 42.059 -0.067 0.000 1.179 224 L HN 0.761 nan 8.230 nan 0.000 0.429 225 L N 4.808 125.968 121.223 -0.106 0.000 2.283 225 L HA 0.480 4.819 4.340 -0.001 0.000 0.281 225 L C 0.075 176.886 176.870 -0.097 0.000 1.033 225 L CA -0.738 54.053 54.840 -0.083 0.000 0.848 225 L CB 0.025 42.077 42.059 -0.012 0.000 1.226 225 L HN 0.673 nan 8.230 nan 0.000 0.429 226 H N 2.179 121.317 119.070 0.114 0.000 2.764 226 H HA 0.238 4.794 4.556 -0.001 0.000 0.341 226 H C 0.732 176.081 175.328 0.035 0.000 1.072 226 H CA 0.951 57.065 56.048 0.110 0.000 1.444 226 H CB 0.714 30.547 29.762 0.118 0.000 1.458 226 H HN 0.936 nan 8.280 nan 0.000 0.572 227 H N 0.060 119.011 119.070 -0.199 0.000 2.899 227 H HA -0.198 4.358 4.556 -0.001 0.000 0.282 227 H C -0.388 174.893 175.328 -0.079 0.000 1.198 227 H CA 0.785 56.549 56.048 -0.474 0.000 1.140 227 H CB -0.860 28.716 29.762 -0.309 0.000 1.317 227 H HN 0.889 nan 8.280 nan 0.000 0.375 228 Q N 0.028 119.843 119.800 0.025 0.000 2.312 228 Q HA 0.529 4.869 4.340 -0.001 0.000 0.263 228 Q C 1.264 177.340 176.000 0.126 0.000 0.995 228 Q CA -0.071 55.782 55.803 0.083 0.000 0.853 228 Q CB 0.890 29.653 28.738 0.041 0.000 1.300 228 Q HN 0.459 nan 8.270 nan 0.000 0.448 229 T N -2.506 112.082 114.554 0.055 0.000 3.057 229 T HA 0.200 4.549 4.350 -0.001 0.000 0.254 229 T C -0.298 174.366 174.700 -0.060 0.000 1.094 229 T CA 0.771 62.835 62.100 -0.059 0.000 1.088 229 T CB 0.343 69.111 68.868 -0.167 0.000 0.934 229 T HN 0.613 nan 8.240 nan 0.000 0.497 230 D N 0.611 120.991 120.400 -0.032 0.000 2.646 230 D HA 0.682 5.322 4.640 -0.001 0.000 0.245 230 D C -1.470 174.816 176.300 -0.023 0.000 1.099 230 D CA -0.453 53.526 54.000 -0.036 0.000 0.849 230 D CB 2.490 43.268 40.800 -0.037 0.000 1.448 230 D HN 0.119 nan 8.370 nan 0.000 0.489 231 V N 0.208 120.108 119.914 -0.024 0.000 2.932 231 V HA 0.860 4.979 4.120 -0.001 0.000 0.307 231 V C -1.747 174.335 176.094 -0.018 0.000 1.147 231 V CA -0.482 61.805 62.300 -0.022 0.000 0.951 231 V CB 1.859 33.668 31.823 -0.023 0.000 1.031 231 V HN 0.759 nan 8.190 nan 0.000 0.426 232 A N 4.619 127.429 122.820 -0.017 0.000 2.437 232 A HA 1.073 5.393 4.320 -0.001 0.000 0.293 232 A C -0.476 177.108 177.584 -0.001 0.000 1.038 232 A CA 0.214 52.249 52.037 -0.003 0.000 0.708 232 A CB 1.601 20.602 19.000 0.001 0.000 1.251 232 A HN 2.481 nan 8.150 nan 0.000 0.409 233 A N 1.431 124.261 122.820 0.017 0.000 2.483 233 A HA 0.619 4.939 4.320 -0.001 0.000 0.294 233 A C 0.365 177.993 177.584 0.073 0.000 1.077 233 A CA 0.382 52.434 52.037 0.024 0.000 0.633 233 A CB -0.158 18.831 19.000 -0.018 0.000 1.318 233 A HN 0.922 nan 8.150 nan 0.000 0.455 234 D N -1.172 119.281 120.400 0.089 0.000 2.116 234 D HA -0.146 4.494 4.640 -0.001 0.000 0.193 234 D C 0.288 176.725 176.300 0.229 0.000 0.998 234 D CA 2.673 56.758 54.000 0.142 0.000 0.836 234 D CB -0.036 40.839 40.800 0.125 0.000 0.951 234 D HN 0.483 nan 8.370 nan 0.000 0.449 235 Y N -0.202 120.119 120.300 0.035 0.000 2.391 235 Y HA 0.482 5.032 4.550 -0.001 0.000 0.341 235 Y C -1.131 174.782 175.900 0.022 0.000 0.965 235 Y CA -1.045 57.081 58.100 0.044 0.000 1.067 235 Y CB 1.562 40.042 38.460 0.034 0.000 1.199 235 Y HN -0.059 nan 8.280 nan 0.000 0.450 236 T N 3.136 117.530 114.554 -0.265 0.000 2.952 236 T HA 0.775 5.124 4.350 -0.001 0.000 0.305 236 T C -1.103 173.468 174.700 -0.215 0.000 1.064 236 T CA -0.568 61.375 62.100 -0.261 0.000 1.008 236 T CB 0.360 69.199 68.868 -0.048 0.000 1.078 236 T HN 0.694 nan 8.240 nan 0.000 0.459 237 C N 1.762 121.007 119.300 -0.092 0.000 2.913 237 C HA 1.067 5.526 4.460 -0.001 0.000 0.322 237 C C 0.262 175.320 174.990 0.114 0.000 1.292 237 C CA -0.586 58.463 59.018 0.052 0.000 1.649 237 C CB 1.261 29.042 27.740 0.067 0.000 2.139 237 C HN 1.357 nan 8.230 nan 0.000 0.475 238 A N 0.264 123.169 122.820 0.141 0.000 2.556 238 A HA 0.922 5.242 4.320 -0.001 0.000 0.294 238 A C -1.567 176.126 177.584 0.182 0.000 1.091 238 A CA -0.444 51.667 52.037 0.123 0.000 0.704 238 A CB 1.193 20.244 19.000 0.084 0.000 1.300 238 A HN 1.329 nan 8.150 nan 0.000 0.406 239 Y N -0.512 119.834 120.300 0.076 0.000 2.499 239 Y HA 0.841 5.390 4.550 -0.001 0.000 0.347 239 Y C -1.611 174.330 175.900 0.067 0.000 0.987 239 Y CA -1.611 56.537 58.100 0.081 0.000 1.044 239 Y CB 1.116 39.596 38.460 0.034 0.000 1.245 239 Y HN 0.444 nan 8.280 nan 0.000 0.461 240 L N 3.785 125.078 121.223 0.118 0.000 2.362 240 L HA 0.575 4.915 4.340 -0.001 0.000 0.271 240 L C -0.522 176.232 176.870 -0.193 0.000 1.002 240 L CA -0.864 53.835 54.840 -0.234 0.000 0.818 240 L CB 2.184 43.850 42.059 -0.655 0.000 1.298 240 L HN 0.739 nan 8.230 nan 0.000 0.420 241 K N 1.728 121.908 120.400 -0.366 0.000 2.221 241 K HA 0.723 5.043 4.320 -0.001 0.000 0.258 241 K C -1.446 174.723 176.600 -0.718 0.000 0.944 241 K CA -0.398 55.640 56.287 -0.416 0.000 0.823 241 K CB 1.041 33.434 32.500 -0.180 0.000 1.113 241 K HN 0.340 nan 8.250 nan 0.000 0.431 242 F N 0.729 120.496 119.950 -0.305 0.000 2.661 242 F HA 0.305 4.832 4.527 -0.001 0.000 0.347 242 F C 0.115 175.750 175.800 -0.275 0.000 1.086 242 F CA -0.687 57.165 58.000 -0.245 0.000 1.016 242 F CB 1.403 40.257 39.000 -0.244 0.000 1.368 242 F HN 0.485 nan 8.300 nan 0.000 0.505 243 D N 0.519 120.953 120.400 0.055 0.000 2.945 243 D HA 0.239 4.879 4.640 -0.001 0.000 0.340 243 D C -1.406 174.906 176.300 0.019 0.000 1.240 243 D CA 0.044 54.031 54.000 -0.022 0.000 0.749 243 D CB 0.450 41.245 40.800 -0.007 0.000 1.217 243 D HN 0.137 nan 8.370 nan 0.000 0.514 244 V N 2.521 122.406 119.914 -0.048 0.000 2.529 244 V HA 0.237 4.356 4.120 -0.001 0.000 0.292 244 V C -1.616 174.476 176.094 -0.002 0.000 1.028 244 V CA -0.845 61.405 62.300 -0.084 0.000 1.074 244 V CB 0.548 32.246 31.823 -0.208 0.000 0.958 244 V HN 0.350 nan 8.190 nan 0.000 0.481 245 P HA 0.196 nan 4.420 nan 0.000 0.269 245 P C -0.208 177.121 177.300 0.048 0.000 1.215 245 P CA -0.110 63.024 63.100 0.057 0.000 0.780 245 P CB 0.448 32.199 31.700 0.085 0.000 0.898 246 A N 2.159 125.004 122.820 0.042 0.000 2.540 246 A HA 0.392 4.712 4.320 -0.001 0.000 0.239 246 A C 1.564 179.174 177.584 0.044 0.000 1.061 246 A CA 0.862 52.924 52.037 0.042 0.000 0.758 246 A CB -1.408 17.613 19.000 0.035 0.000 0.991 246 A HN 0.887 nan 8.150 nan 0.000 0.502 247 G N 1.364 110.190 108.800 0.042 0.000 2.225 247 G HA2 -0.204 3.756 3.960 -0.001 0.000 0.254 247 G HA3 -0.204 3.756 3.960 -0.001 0.000 0.254 247 G C 0.066 174.993 174.900 0.045 0.000 0.988 247 G CA 0.630 45.754 45.100 0.039 0.000 0.625 247 G HN 0.888 nan 8.290 nan 0.000 0.527 248 E N 0.084 120.315 120.200 0.053 0.000 2.222 248 E HA 0.659 5.009 4.350 -0.001 0.000 0.267 248 E C -0.240 176.369 176.600 0.016 0.000 0.963 248 E CA -0.726 55.713 56.400 0.064 0.000 0.837 248 E CB 1.300 31.082 29.700 0.137 0.000 1.183 248 E HN 0.255 nan 8.360 nan 0.000 0.403 249 K N 1.071 121.480 120.400 0.015 0.000 2.318 249 K HA 0.371 4.691 4.320 -0.001 0.000 0.249 249 K C -1.062 175.497 176.600 -0.068 0.000 0.942 249 K CA -1.000 55.269 56.287 -0.031 0.000 0.808 249 K CB 1.735 34.226 32.500 -0.014 0.000 1.189 249 K HN 0.211 nan 8.250 nan 0.000 0.428 250 L N 1.608 122.761 121.223 -0.115 0.000 2.319 250 L HA 0.225 4.564 4.340 -0.001 0.000 0.280 250 L C -0.646 176.231 176.870 0.011 0.000 1.099 250 L CA 0.707 55.491 54.840 -0.094 0.000 0.828 250 L CB 1.116 43.101 42.059 -0.122 0.000 1.150 250 L HN 0.531 nan 8.230 nan 0.000 0.442 251 T N 6.699 121.311 114.554 0.097 0.000 2.829 251 T HA 0.595 4.945 4.350 -0.001 0.000 0.282 251 T C -0.182 174.552 174.700 0.056 0.000 0.990 251 T CA -0.107 62.035 62.100 0.070 0.000 1.028 251 T CB 0.630 69.540 68.868 0.070 0.000 0.951 251 T HN 0.431 nan 8.240 nan 0.000 0.460 252 I N 3.486 124.068 120.570 0.019 0.000 2.418 252 I HA 0.453 4.623 4.170 -0.001 0.000 0.287 252 I C 0.063 176.162 176.117 -0.030 0.000 1.008 252 I CA -0.850 60.381 61.300 -0.115 0.000 1.104 252 I CB 1.695 39.563 38.000 -0.220 0.000 1.264 252 I HN 0.329 nan 8.210 nan 0.000 0.438 253 R N 3.471 123.949 120.500 -0.038 0.000 2.445 253 R HA 0.736 5.075 4.340 -0.001 0.000 0.308 253 R C -0.602 175.829 176.300 0.218 0.000 0.961 253 R CA -0.644 55.485 56.100 0.049 0.000 0.862 253 R CB 2.444 32.758 30.300 0.023 0.000 1.144 253 R HN 0.528 nan 8.270 nan 0.000 0.447 254 T N 0.550 115.226 114.554 0.204 0.000 2.923 254 T HA 0.773 5.123 4.350 -0.001 0.000 0.311 254 T C -1.715 173.227 174.700 0.404 0.000 1.183 254 T CA -0.398 61.926 62.100 0.373 0.000 1.020 254 T CB 1.710 70.801 68.868 0.373 0.000 1.165 254 T HN 0.733 nan 8.240 nan 0.000 0.482 255 A N 1.945 125.070 122.820 0.509 0.000 2.602 255 A HA 0.957 5.276 4.320 -0.001 0.000 0.290 255 A C -0.599 177.222 177.584 0.395 0.000 1.114 255 A CA -0.231 52.062 52.037 0.427 0.000 0.683 255 A CB 1.399 20.611 19.000 0.352 0.000 1.281 255 A HN 1.630 nan 8.150 nan 0.000 0.416 256 S N -0.581 115.301 115.700 0.303 0.000 2.671 256 S HA 0.900 5.370 4.470 -0.001 0.000 0.277 256 S C -0.635 174.002 174.600 0.061 0.000 1.165 256 S CA 0.044 58.362 58.200 0.197 0.000 0.822 256 S CB 1.402 64.741 63.200 0.231 0.000 1.150 256 S HN 2.196 nan 8.310 nan 0.000 0.479 257 S N -0.733 114.942 115.700 -0.043 0.000 2.556 257 S HA 0.689 5.159 4.470 -0.001 0.000 0.271 257 S C -1.177 173.301 174.600 -0.203 0.000 1.135 257 S CA -0.680 57.483 58.200 -0.061 0.000 0.858 257 S CB 0.885 64.115 63.200 0.050 0.000 1.114 257 S HN 0.613 nan 8.310 nan 0.000 0.468 258 F N 2.098 122.026 119.950 -0.037 0.000 2.727 258 F HA 0.443 4.970 4.527 -0.001 0.000 0.302 258 F C 1.395 177.165 175.800 -0.049 0.000 1.097 258 F CA 0.039 57.955 58.000 -0.141 0.000 1.330 258 F CB 0.056 38.913 39.000 -0.239 0.000 1.084 258 F HN 0.450 nan 8.300 nan 0.000 0.578 259 I N -1.312 119.384 120.570 0.211 0.000 2.499 259 I HA 0.012 4.182 4.170 -0.001 0.000 0.243 259 I C 0.750 176.872 176.117 0.010 0.000 1.085 259 I CA 0.640 62.044 61.300 0.173 0.000 1.422 259 I CB 0.071 38.154 38.000 0.138 0.000 1.165 259 I HN 0.068 nan 8.210 nan 0.000 0.440 260 S N -1.616 113.995 115.700 -0.149 0.000 2.595 260 S HA 0.320 4.789 4.470 -0.001 0.000 0.270 260 S C -2.530 171.777 174.600 -0.488 0.000 1.145 260 S CA -0.985 56.865 58.200 -0.584 0.000 0.825 260 S CB 1.265 64.268 63.200 -0.328 0.000 1.107 260 S HN -0.264 nan 8.310 nan 0.000 0.461 261 P HA -0.005 nan 4.420 nan 0.000 0.218 261 P C 0.967 178.167 177.300 -0.167 0.000 1.149 261 P CA 1.351 64.280 63.100 -0.285 0.000 0.817 261 P CB 0.002 31.532 31.700 -0.283 0.000 0.785 262 E N -0.480 119.619 120.200 -0.169 0.000 2.058 262 E HA -0.231 4.119 4.350 -0.001 0.000 0.194 262 E C 2.127 178.701 176.600 -0.042 0.000 0.997 262 E CA 1.243 57.587 56.400 -0.093 0.000 0.801 262 E CB -0.905 28.744 29.700 -0.085 0.000 0.746 262 E HN 0.190 nan 8.360 nan 0.000 0.450 263 Q N 0.255 120.030 119.800 -0.042 0.000 2.119 263 Q HA 0.004 4.344 4.340 -0.001 0.000 0.201 263 Q C 1.931 177.961 176.000 0.050 0.000 0.972 263 Q CA 1.636 57.450 55.803 0.018 0.000 0.847 263 Q CB -0.415 28.339 28.738 0.027 0.000 0.903 263 Q HN 0.251 nan 8.270 nan 0.000 0.433 264 A N 0.346 123.184 122.820 0.031 0.000 1.908 264 A HA -0.096 4.224 4.320 -0.001 0.000 0.218 264 A C 2.292 179.945 177.584 0.114 0.000 1.181 264 A CA 1.928 54.012 52.037 0.079 0.000 0.627 264 A CB -1.185 17.851 19.000 0.059 0.000 0.818 264 A HN 0.524 nan 8.150 nan 0.000 0.445 265 A N -0.237 122.613 122.820 0.050 0.000 1.933 265 A HA -0.051 4.268 4.320 -0.001 0.000 0.218 265 A C 2.104 179.776 177.584 0.146 0.000 1.175 265 A CA 1.450 53.524 52.037 0.063 0.000 0.628 265 A CB -0.574 18.413 19.000 -0.022 0.000 0.814 265 A HN 0.504 nan 8.150 nan 0.000 0.444 266 I N 0.139 120.775 120.570 0.111 0.000 2.226 266 I HA -0.270 3.900 4.170 -0.001 0.000 0.245 266 I C 2.127 178.340 176.117 0.159 0.000 1.100 266 I CA 1.210 62.585 61.300 0.124 0.000 1.374 266 I CB -0.446 37.615 38.000 0.103 0.000 1.057 266 I HN 0.295 nan 8.210 nan 0.000 0.413 267 N N 0.887 119.689 118.700 0.171 0.000 2.084 267 N HA -0.226 4.514 4.740 -0.001 0.000 0.190 267 N C 1.771 177.397 175.510 0.192 0.000 1.030 267 N CA 1.397 54.554 53.050 0.179 0.000 0.849 267 N CB -0.716 37.877 38.487 0.177 0.000 1.012 267 N HN 0.292 nan 8.380 nan 0.000 0.423 268 F N 2.246 122.243 119.950 0.079 0.000 2.065 268 F HA -0.192 4.334 4.527 -0.001 0.000 0.298 268 F C 2.016 177.848 175.800 0.054 0.000 1.112 268 F CA 1.458 59.499 58.000 0.068 0.000 1.212 268 F CB -0.248 38.786 39.000 0.056 0.000 0.975 268 F HN 0.002 nan 8.300 nan 0.000 0.476 269 N N 0.344 119.238 118.700 0.322 0.000 2.120 269 N HA -0.193 4.546 4.740 -0.001 0.000 0.188 269 N C 2.079 177.623 175.510 0.057 0.000 1.024 269 N CA 1.332 54.499 53.050 0.195 0.000 0.852 269 N CB -0.560 38.047 38.487 0.200 0.000 1.003 269 N HN 0.372 nan 8.380 nan 0.000 0.424 270 R N 1.147 121.689 120.500 0.069 0.000 2.075 270 R HA -0.028 4.311 4.340 -0.001 0.000 0.232 270 R C 1.408 177.710 176.300 0.004 0.000 1.126 270 R CA 1.229 57.355 56.100 0.043 0.000 0.963 270 R CB 0.195 30.541 30.300 0.076 0.000 0.858 270 R HN 0.326 nan 8.270 nan 0.000 0.435 271 E N -0.785 119.407 120.200 -0.014 0.000 2.201 271 E HA -0.053 4.296 4.350 -0.001 0.000 0.193 271 E C 1.518 178.048 176.600 -0.116 0.000 0.957 271 E CA 1.051 57.432 56.400 -0.032 0.000 0.858 271 E CB 0.788 30.502 29.700 0.023 0.000 0.816 271 E HN 0.316 nan 8.360 nan 0.000 0.475 272 V N -2.767 116.988 119.914 -0.264 0.000 3.485 272 V HA 0.469 4.589 4.120 -0.001 0.000 0.280 272 V C 0.711 176.512 176.094 -0.489 0.000 1.495 272 V CA -0.223 61.861 62.300 -0.360 0.000 1.018 272 V CB 0.251 31.843 31.823 -0.385 0.000 0.818 272 V HN 0.047 nan 8.190 nan 0.000 0.436 273 A N 1.592 124.070 122.820 -0.569 0.000 2.567 273 A HA 0.323 4.642 4.320 -0.001 0.000 0.240 273 A C 1.042 178.542 177.584 -0.141 0.000 1.053 273 A CA 1.089 52.915 52.037 -0.350 0.000 0.755 273 A CB -0.563 18.393 19.000 -0.074 0.000 0.978 273 A HN 0.773 nan 8.150 nan 0.000 0.507 274 D N -1.296 119.066 120.400 -0.062 0.000 2.946 274 D HA -0.201 4.438 4.640 -0.001 0.000 0.202 274 D C 0.434 176.710 176.300 -0.041 0.000 1.068 274 D CA 1.741 55.727 54.000 -0.024 0.000 1.011 274 D CB -1.821 38.974 40.800 -0.008 0.000 1.105 274 D HN 1.174 nan 8.370 nan 0.000 0.425 275 A N 0.855 123.628 122.820 -0.078 0.000 2.316 275 A HA 0.490 4.809 4.320 -0.001 0.000 0.284 275 A C 0.425 177.978 177.584 -0.051 0.000 1.115 275 A CA -0.061 51.935 52.037 -0.068 0.000 0.812 275 A CB 0.892 19.836 19.000 -0.093 0.000 1.064 275 A HN 0.163 nan 8.150 nan 0.000 0.489 276 D N 0.296 120.673 120.400 -0.038 0.000 2.440 276 D HA 0.250 4.889 4.640 -0.001 0.000 0.258 276 D C 0.798 177.069 176.300 -0.048 0.000 1.092 276 D CA -0.398 53.583 54.000 -0.032 0.000 1.016 276 D CB 0.735 41.526 40.800 -0.015 0.000 1.141 276 D HN 0.203 nan 8.370 nan 0.000 0.552 277 V N -0.023 119.860 119.914 -0.053 0.000 2.515 277 V HA -0.248 3.872 4.120 -0.001 0.000 0.250 277 V C 1.947 178.010 176.094 -0.052 0.000 1.058 277 V CA 1.951 64.205 62.300 -0.077 0.000 1.064 277 V CB -0.613 31.149 31.823 -0.101 0.000 0.675 277 V HN 0.438 nan 8.190 nan 0.000 0.461 278 Q N -0.346 119.432 119.800 -0.036 0.000 2.096 278 Q HA -0.193 4.146 4.340 -0.001 0.000 0.204 278 Q C 1.944 177.930 176.000 -0.023 0.000 0.982 278 Q CA 2.154 57.943 55.803 -0.023 0.000 0.850 278 Q CB -0.639 28.085 28.738 -0.022 0.000 0.901 278 Q HN 0.609 nan 8.270 nan 0.000 0.422 279 L N -0.241 120.965 121.223 -0.029 0.000 2.027 279 L HA -0.132 4.208 4.340 -0.001 0.000 0.206 279 L C 1.690 178.545 176.870 -0.024 0.000 1.074 279 L CA 1.550 56.373 54.840 -0.028 0.000 0.745 279 L CB -0.433 41.606 42.059 -0.033 0.000 0.898 279 L HN 0.197 nan 8.230 nan 0.000 0.433 280 I N -1.011 119.540 120.570 -0.032 0.000 2.252 280 I HA -0.213 3.956 4.170 -0.001 0.000 0.245 280 I C 2.729 178.856 176.117 0.016 0.000 1.102 280 I CA 1.532 62.818 61.300 -0.024 0.000 1.385 280 I CB -1.717 36.246 38.000 -0.061 0.000 1.064 280 I HN 0.360 nan 8.210 nan 0.000 0.414 281 S N 1.087 116.802 115.700 0.025 0.000 2.353 281 S HA -0.165 4.305 4.470 -0.001 0.000 0.222 281 S C 2.218 176.850 174.600 0.054 0.000 1.035 281 S CA 1.872 60.138 58.200 0.109 0.000 1.025 281 S CB -0.719 62.550 63.200 0.114 0.000 0.902 281 S HN 0.522 nan 8.310 nan 0.000 0.440 282 G N 0.839 109.631 108.800 -0.012 0.000 2.422 282 G HA2 -0.183 3.777 3.960 -0.001 0.000 0.218 282 G HA3 -0.183 3.777 3.960 -0.001 0.000 0.218 282 G C 1.557 176.429 174.900 -0.046 0.000 1.146 282 G CA 0.832 45.893 45.100 -0.066 0.000 0.769 282 G HN 0.547 nan 8.290 nan 0.000 0.547 283 K N 0.418 120.813 120.400 -0.008 0.000 2.025 283 K HA 0.084 4.404 4.320 -0.001 0.000 0.207 283 K C 2.966 179.590 176.600 0.041 0.000 1.049 283 K CA 1.000 57.292 56.287 0.009 0.000 0.933 283 K CB -0.209 32.298 32.500 0.011 0.000 0.714 283 K HN 0.257 nan 8.250 nan 0.000 0.438 284 A N 1.482 124.356 122.820 0.091 0.000 1.930 284 A HA -0.176 4.144 4.320 -0.001 0.000 0.217 284 A C 2.088 179.828 177.584 0.259 0.000 1.175 284 A CA 1.388 53.541 52.037 0.192 0.000 0.627 284 A CB -0.442 18.736 19.000 0.298 0.000 0.815 284 A HN 0.228 nan 8.150 nan 0.000 0.443 285 R N -0.148 120.398 120.500 0.076 0.000 2.083 285 R HA -0.202 4.138 4.340 -0.001 0.000 0.237 285 R C 2.212 178.504 176.300 -0.014 0.000 1.137 285 R CA 1.924 57.924 56.100 -0.167 0.000 0.951 285 R CB -0.328 29.577 30.300 -0.658 0.000 0.851 285 R HN 0.707 nan 8.270 nan 0.000 0.434 286 E N -0.311 119.874 120.200 -0.024 0.000 2.077 286 E HA -0.235 4.114 4.350 -0.001 0.000 0.193 286 E C 1.971 178.606 176.600 0.059 0.000 0.989 286 E CA 1.187 57.587 56.400 0.001 0.000 0.800 286 E CB 0.122 29.812 29.700 -0.018 0.000 0.746 286 E HN 0.366 nan 8.360 nan 0.000 0.452 287 Q N -0.309 119.533 119.800 0.070 0.000 2.061 287 Q HA -0.198 4.142 4.340 -0.001 0.000 0.204 287 Q C 1.904 177.980 176.000 0.126 0.000 0.984 287 Q CA 1.611 57.465 55.803 0.084 0.000 0.846 287 Q CB -0.613 28.117 28.738 -0.013 0.000 0.902 287 Q HN 0.497 nan 8.270 nan 0.000 0.421 288 W N 1.357 122.761 121.300 0.172 0.000 2.358 288 W HA -0.142 4.517 4.660 -0.001 0.000 0.303 288 W C 2.075 178.707 176.519 0.189 0.000 1.208 288 W CA 1.061 58.516 57.345 0.183 0.000 1.274 288 W CB -0.498 29.050 29.460 0.147 0.000 1.138 288 W HN 0.307 nan 8.180 nan 0.000 0.515 289 N N -0.059 118.837 118.700 0.327 0.000 2.149 289 N HA -0.203 4.536 4.740 -0.001 0.000 0.188 289 N C 1.403 177.047 175.510 0.223 0.000 1.019 289 N CA 1.382 54.571 53.050 0.232 0.000 0.857 289 N CB -0.309 38.225 38.487 0.078 0.000 0.997 289 N HN 0.093 nan 8.380 nan 0.000 0.426 290 N N 0.129 118.914 118.700 0.142 0.000 2.084 290 N HA -0.129 4.610 4.740 -0.001 0.000 0.190 290 N C 1.303 176.841 175.510 0.047 0.000 1.030 290 N CA 1.221 54.286 53.050 0.026 0.000 0.849 290 N CB -0.449 37.969 38.487 -0.115 0.000 1.012 290 N HN 0.371 nan 8.380 nan 0.000 0.423 291 Y N 0.984 121.403 120.300 0.199 0.000 2.243 291 Y HA 0.114 4.663 4.550 -0.001 0.000 0.293 291 Y C 2.241 178.391 175.900 0.417 0.000 1.124 291 Y CA 0.522 58.805 58.100 0.306 0.000 1.159 291 Y CB -0.352 38.174 38.460 0.109 0.000 1.008 291 Y HN -0.037 nan 8.280 nan 0.000 0.527 292 L N -1.117 120.426 121.223 0.532 0.000 2.141 292 L HA -0.123 4.217 4.340 -0.001 0.000 0.209 292 L C 2.469 179.576 176.870 0.395 0.000 1.094 292 L CA 1.208 56.350 54.840 0.503 0.000 0.763 292 L CB -0.933 41.420 42.059 0.490 0.000 0.908 292 L HN 0.282 nan 8.230 nan 0.000 0.437 293 G N -0.443 108.599 108.800 0.403 0.000 2.625 293 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.214 293 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.214 293 G C 1.626 176.730 174.900 0.341 0.000 1.132 293 G CA -0.080 45.273 45.100 0.422 0.000 0.782 293 G HN 0.301 nan 8.290 nan 0.000 0.538 294 R N -0.829 119.852 120.500 0.302 0.000 2.237 294 R HA 0.073 4.413 4.340 -0.001 0.000 0.219 294 R C 0.237 176.667 176.300 0.217 0.000 1.080 294 R CA 0.304 56.555 56.100 0.253 0.000 0.995 294 R CB 0.087 30.436 30.300 0.082 0.000 0.875 294 R HN 0.272 nan 8.270 nan 0.000 0.462 295 V N 1.586 121.621 119.914 0.202 0.000 2.443 295 V HA 0.210 4.330 4.120 -0.001 0.000 0.293 295 V C -1.256 174.856 176.094 0.029 0.000 1.021 295 V CA -0.729 61.635 62.300 0.107 0.000 0.848 295 V CB 1.788 33.688 31.823 0.128 0.000 0.998 295 V HN 0.082 nan 8.190 nan 0.000 0.424 296 E N 5.911 126.109 120.200 -0.002 0.000 2.081 296 E HA 0.630 4.980 4.350 -0.001 0.000 0.276 296 E C -0.171 176.337 176.600 -0.153 0.000 0.950 296 E CA -0.430 55.967 56.400 -0.004 0.000 0.776 296 E CB 1.859 31.726 29.700 0.279 0.000 1.094 296 E HN 0.880 nan 8.360 nan 0.000 0.402 297 A N 4.300 126.910 122.820 -0.350 0.000 2.301 297 A HA 0.364 4.684 4.320 -0.001 0.000 0.298 297 A C -0.222 177.113 177.584 -0.414 0.000 1.185 297 A CA -0.384 51.183 52.037 -0.784 0.000 0.830 297 A CB 0.561 18.422 19.000 -1.898 0.000 1.112 297 A HN 0.631 nan 8.150 nan 0.000 0.508 298 E N 0.697 120.715 120.200 -0.303 0.000 2.340 298 E HA 0.567 4.916 4.350 -0.001 0.000 0.273 298 E C -0.099 176.520 176.600 0.032 0.000 0.891 298 E CA -0.519 55.841 56.400 -0.066 0.000 0.757 298 E CB 1.957 31.661 29.700 0.006 0.000 1.231 298 E HN 1.520 nan 8.360 nan 0.000 0.439 299 G N 1.085 109.939 108.800 0.090 0.000 2.546 299 G HA2 0.072 4.032 3.960 -0.001 0.000 0.285 299 G HA3 0.072 4.032 3.960 -0.001 0.000 0.285 299 G C -0.034 174.995 174.900 0.216 0.000 1.105 299 G CA -0.120 45.053 45.100 0.121 0.000 1.189 299 G HN 0.819 nan 8.290 nan 0.000 0.534 300 G N -0.935 108.006 108.800 0.234 0.000 2.645 300 G HA2 0.992 4.952 3.960 -0.001 0.000 0.292 300 G HA3 0.992 4.952 3.960 -0.001 0.000 0.292 300 G C -0.018 174.961 174.900 0.133 0.000 1.415 300 G CA 0.702 45.923 45.100 0.202 0.000 0.785 300 G HN 1.541 nan 8.290 nan 0.000 0.483 301 T N -1.640 112.959 114.554 0.075 0.000 2.849 301 T HA 0.313 4.662 4.350 -0.001 0.000 0.284 301 T C 0.587 175.340 174.700 0.089 0.000 1.004 301 T CA 0.085 62.226 62.100 0.068 0.000 1.021 301 T CB 1.351 70.241 68.868 0.037 0.000 1.013 301 T HN 0.236 nan 8.240 nan 0.000 0.527 302 D N 0.219 120.679 120.400 0.099 0.000 2.149 302 D HA -0.115 4.525 4.640 -0.001 0.000 0.198 302 D C 1.890 178.256 176.300 0.110 0.000 0.990 302 D CA 1.486 55.565 54.000 0.133 0.000 0.839 302 D CB -0.261 40.642 40.800 0.171 0.000 0.948 302 D HN 0.846 nan 8.370 nan 0.000 0.460 303 E N 1.023 121.274 120.200 0.085 0.000 2.110 303 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 303 E C 1.936 178.583 176.600 0.078 0.000 0.988 303 E CA 1.307 57.749 56.400 0.070 0.000 0.804 303 E CB -0.155 29.571 29.700 0.044 0.000 0.745 303 E HN 0.320 nan 8.360 nan 0.000 0.458 304 Q N -0.283 119.565 119.800 0.081 0.000 2.079 304 Q HA -0.076 4.264 4.340 -0.001 0.000 0.200 304 Q C 2.404 178.571 176.000 0.280 0.000 0.974 304 Q CA 1.473 57.348 55.803 0.119 0.000 0.840 304 Q CB -0.125 28.582 28.738 -0.051 0.000 0.898 304 Q HN 0.330 nan 8.270 nan 0.000 0.430 305 L N 0.093 121.433 121.223 0.195 0.000 2.046 305 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 305 L C 2.463 179.387 176.870 0.089 0.000 1.077 305 L CA 1.279 56.128 54.840 0.015 0.000 0.747 305 L CB -0.290 41.401 42.059 -0.613 0.000 0.896 305 L HN 0.133 nan 8.230 nan 0.000 0.432 306 R N -0.743 119.828 120.500 0.117 0.000 2.081 306 R HA -0.123 4.217 4.340 -0.001 0.000 0.235 306 R C 2.301 178.685 176.300 0.140 0.000 1.131 306 R CA 1.910 58.143 56.100 0.222 0.000 0.960 306 R CB -0.712 29.700 30.300 0.187 0.000 0.856 306 R HN 0.319 nan 8.270 nan 0.000 0.436 307 T N 0.904 115.500 114.554 0.070 0.000 2.708 307 T HA -0.166 4.183 4.350 -0.001 0.000 0.266 307 T C 1.408 176.055 174.700 -0.089 0.000 1.037 307 T CA 1.383 63.420 62.100 -0.104 0.000 1.146 307 T CB -0.343 68.392 68.868 -0.222 0.000 0.865 307 T HN 0.171 nan 8.240 nan 0.000 0.435 308 F N 0.902 120.871 119.950 0.032 0.000 2.075 308 F HA -0.120 4.407 4.527 -0.000 0.000 0.297 308 F C 1.987 177.713 175.800 -0.123 0.000 1.113 308 F CA 1.180 59.223 58.000 0.072 0.000 1.218 308 F CB -0.439 38.600 39.000 0.066 0.000 0.984 308 F HN 0.119 nan 8.300 nan 0.000 0.472 309 Y N -0.090 120.324 120.300 0.191 0.000 2.373 309 Y HA -0.106 4.444 4.550 -0.000 0.000 0.293 309 Y C 2.739 178.673 175.900 0.057 0.000 1.129 309 Y CA 1.287 59.445 58.100 0.097 0.000 1.226 309 Y CB -0.998 37.620 38.460 0.264 0.000 1.000 309 Y HN 0.025 nan 8.280 nan 0.000 0.549 310 S N -1.098 114.696 115.700 0.157 0.000 2.368 310 S HA -0.193 4.276 4.470 -0.001 0.000 0.224 310 S C 2.227 176.925 174.600 0.163 0.000 1.029 310 S CA 1.351 59.624 58.200 0.122 0.000 0.988 310 S CB -0.734 62.492 63.200 0.044 0.000 0.838 310 S HN 0.529 nan 8.310 nan 0.000 0.462 311 C N 1.034 120.352 119.300 0.030 0.000 2.429 311 C HA 0.001 4.460 4.460 -0.001 0.000 0.277 311 C C 2.509 177.505 174.990 0.009 0.000 1.262 311 C CA 0.446 59.497 59.018 0.055 0.000 1.733 311 C CB -1.314 26.414 27.740 -0.021 0.000 2.010 311 C HN 0.508 nan 8.230 nan 0.000 0.483 312 L N 0.466 121.620 121.223 -0.115 0.000 2.017 312 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 312 L C 2.376 179.313 176.870 0.111 0.000 1.073 312 L CA 2.040 56.835 54.840 -0.075 0.000 0.745 312 L CB -1.318 40.639 42.059 -0.170 0.000 0.894 312 L HN 0.557 nan 8.230 nan 0.000 0.432 313 Y N 0.194 120.512 120.300 0.029 0.000 2.114 313 Y HA -0.294 4.255 4.550 -0.001 0.000 0.282 313 Y C 2.501 178.388 175.900 -0.021 0.000 1.165 313 Y CA 1.904 59.986 58.100 -0.029 0.000 1.148 313 Y CB -0.345 37.935 38.460 -0.300 0.000 0.972 313 Y HN 0.094 nan 8.280 nan 0.000 0.504 314 R N 0.107 120.476 120.500 -0.219 0.000 2.120 314 R HA -0.127 4.213 4.340 -0.001 0.000 0.234 314 R C 2.382 178.626 176.300 -0.095 0.000 1.123 314 R CA 1.774 57.703 56.100 -0.285 0.000 0.975 314 R CB -1.515 28.779 30.300 -0.009 0.000 0.866 314 R HN 0.683 nan 8.270 nan 0.000 0.446 315 T N -1.627 112.922 114.554 -0.009 0.000 3.023 315 T HA 0.049 4.399 4.350 -0.001 0.000 0.266 315 T C 1.782 176.563 174.700 0.135 0.000 1.093 315 T CA 0.535 62.678 62.100 0.072 0.000 1.129 315 T CB -0.102 68.794 68.868 0.046 0.000 0.899 315 T HN 0.140 nan 8.240 nan 0.000 0.491 316 L N 0.117 121.279 121.223 -0.102 0.000 2.611 316 L HA 0.382 4.721 4.340 -0.001 0.000 0.229 316 L C 1.933 178.259 176.870 -0.907 0.000 1.137 316 L CA -0.029 54.457 54.840 -0.589 0.000 0.901 316 L CB -0.312 41.272 42.059 -0.793 0.000 1.098 316 L HN 0.247 nan 8.230 nan 0.000 0.456 317 L N -1.108 119.876 121.223 -0.397 0.000 2.145 317 L HA 0.120 4.460 4.340 -0.001 0.000 0.201 317 L C 0.347 177.114 176.870 -0.172 0.000 1.075 317 L CA 0.861 55.448 54.840 -0.421 0.000 0.773 317 L CB 0.050 41.722 42.059 -0.644 0.000 0.936 317 L HN 0.044 nan 8.230 nan 0.000 0.451 318 F N -0.381 119.758 119.950 0.315 0.000 2.556 318 F HA 0.458 4.985 4.527 -0.001 0.000 0.327 318 F C -2.107 174.062 175.800 0.615 0.000 1.059 318 F CA -2.813 55.459 58.000 0.455 0.000 0.953 318 F CB 0.513 39.707 39.000 0.324 0.000 1.227 318 F HN -0.277 nan 8.300 nan 0.000 0.478 319 P HA 0.138 nan 4.420 nan 0.000 0.272 319 P C -1.034 176.706 177.300 0.732 0.000 1.223 319 P CA -0.514 63.027 63.100 0.736 0.000 0.784 319 P CB 0.781 32.872 31.700 0.652 0.000 0.923 320 R N 1.121 121.931 120.500 0.517 0.000 2.490 320 R HA 0.284 4.624 4.340 -0.001 0.000 0.278 320 R C -0.282 176.100 176.300 0.137 0.000 1.069 320 R CA -0.542 55.745 56.100 0.312 0.000 1.080 320 R CB 0.253 30.606 30.300 0.089 0.000 1.030 320 R HN 0.386 nan 8.270 nan 0.000 0.491 321 E N 1.415 121.524 120.200 -0.152 0.000 2.414 321 E HA -0.073 4.276 4.350 -0.001 0.000 0.263 321 E C -0.727 175.725 176.600 -0.247 0.000 1.000 321 E CA 0.235 56.241 56.400 -0.657 0.000 0.914 321 E CB 0.361 29.591 29.700 -0.783 0.000 0.948 321 E HN 0.533 nan 8.360 nan 0.000 0.444 322 F N 3.067 122.808 119.950 -0.348 0.000 2.735 322 F HA 0.171 4.698 4.527 -0.001 0.000 0.308 322 F C -0.723 175.103 175.800 0.043 0.000 1.112 322 F CA -0.538 57.400 58.000 -0.104 0.000 1.235 322 F CB 0.415 39.368 39.000 -0.078 0.000 1.027 322 F HN 0.429 nan 8.300 nan 0.000 0.528 323 Y N -0.875 119.421 120.300 -0.007 0.000 2.568 323 Y HA 0.814 5.363 4.550 -0.001 0.000 0.327 323 Y C -0.431 175.399 175.900 -0.117 0.000 1.163 323 Y CA -1.320 56.784 58.100 0.006 0.000 1.219 323 Y CB 0.639 39.115 38.460 0.027 0.000 1.308 323 Y HN 0.004 nan 8.280 nan 0.000 0.503 324 E N 0.474 120.665 120.200 -0.015 0.000 2.429 324 E HA 0.436 4.785 4.350 -0.001 0.000 0.276 324 E C -2.042 174.424 176.600 -0.223 0.000 0.953 324 E CA -0.952 55.389 56.400 -0.098 0.000 0.787 324 E CB 2.363 32.090 29.700 0.044 0.000 1.307 324 E HN 0.494 nan 8.360 nan 0.000 0.458 325 F N 2.116 122.177 119.950 0.185 0.000 2.426 325 F HA 0.177 4.704 4.527 -0.001 0.000 0.348 325 F C 0.605 176.472 175.800 0.112 0.000 1.124 325 F CA -0.882 57.214 58.000 0.160 0.000 1.008 325 F CB 0.841 39.936 39.000 0.158 0.000 1.139 325 F HN 0.385 nan 8.300 nan 0.000 0.452 326 D N 0.349 120.891 120.400 0.237 0.000 2.356 326 D HA 0.021 4.660 4.640 -0.001 0.000 0.258 326 D C 1.359 177.743 176.300 0.140 0.000 1.279 326 D CA -0.006 54.082 54.000 0.147 0.000 1.016 326 D CB 0.012 40.869 40.800 0.096 0.000 1.107 326 D HN 0.389 nan 8.370 nan 0.000 0.544 327 S N -1.568 114.187 115.700 0.093 0.000 2.442 327 S HA -0.190 4.279 4.470 -0.001 0.000 0.236 327 S C 1.295 175.940 174.600 0.074 0.000 1.007 327 S CA 0.660 58.906 58.200 0.076 0.000 0.965 327 S CB -0.390 62.841 63.200 0.051 0.000 0.773 327 S HN 0.467 nan 8.310 nan 0.000 0.504 328 Q N 0.604 120.453 119.800 0.081 0.000 2.360 328 Q HA 0.301 4.640 4.340 -0.001 0.000 0.202 328 Q C 1.378 177.433 176.000 0.093 0.000 0.915 328 Q CA 0.604 56.451 55.803 0.072 0.000 0.943 328 Q CB -0.013 28.761 28.738 0.061 0.000 1.064 328 Q HN 0.777 nan 8.270 nan 0.000 0.511 329 G N 1.619 110.501 108.800 0.136 0.000 2.136 329 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.242 329 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.242 329 G C -0.239 174.831 174.900 0.283 0.000 0.989 329 G CA 0.150 45.349 45.100 0.164 0.000 0.682 329 G HN 0.433 nan 8.290 nan 0.000 0.522 330 N N 1.663 120.531 118.700 0.280 0.000 2.443 330 N HA 0.554 5.294 4.740 -0.001 0.000 0.295 330 N C -2.556 173.119 175.510 0.275 0.000 1.076 330 N CA -1.699 51.515 53.050 0.273 0.000 0.919 330 N CB 1.952 40.514 38.487 0.126 0.000 1.176 330 N HN 0.049 nan 8.380 nan 0.000 0.487 331 P HA 0.028 nan 4.420 nan 0.000 0.271 331 P C -0.832 176.408 177.300 -0.101 0.000 1.226 331 P CA -0.087 62.915 63.100 -0.164 0.000 0.765 331 P CB 0.778 32.264 31.700 -0.357 0.000 0.835 332 V N 2.157 122.058 119.914 -0.022 0.000 3.130 332 V HA 0.846 4.966 4.120 -0.001 0.000 0.310 332 V C -1.191 175.023 176.094 0.200 0.000 1.158 332 V CA -1.259 61.059 62.300 0.031 0.000 1.029 332 V CB 1.925 33.754 31.823 0.010 0.000 1.057 332 V HN 0.612 nan 8.190 nan 0.000 0.436 333 Y N 0.120 120.506 120.300 0.143 0.000 2.552 333 Y HA 0.720 5.269 4.550 -0.000 0.000 0.337 333 Y C -1.172 174.903 175.900 0.291 0.000 1.094 333 Y CA -1.706 56.523 58.100 0.215 0.000 1.028 333 Y CB 1.278 39.900 38.460 0.269 0.000 1.321 333 Y HN 0.884 nan 8.280 nan 0.000 0.456 334 Y N 2.765 123.272 120.300 0.346 0.000 2.496 334 Y HA 0.384 4.933 4.550 -0.001 0.000 0.334 334 Y C 0.439 176.689 175.900 0.584 0.000 1.080 334 Y CA 0.170 58.488 58.100 0.363 0.000 1.355 334 Y CB 0.866 39.526 38.460 0.334 0.000 1.193 334 Y HN 0.812 nan 8.280 nan 0.000 0.523 335 S N 8.527 124.223 115.700 -0.007 0.000 2.474 335 S HA 0.267 4.736 4.470 -0.001 0.000 0.276 335 S C -1.725 172.664 174.600 -0.352 0.000 1.227 335 S CA -1.436 56.821 58.200 0.095 0.000 1.050 335 S CB 0.692 64.001 63.200 0.182 0.000 0.939 335 S HN 0.693 nan 8.310 nan 0.000 0.490 336 P HA 0.084 nan 4.420 nan 0.000 0.253 336 P C -0.045 176.891 177.300 -0.606 0.000 1.260 336 P CA 0.354 63.191 63.100 -0.439 0.000 0.800 336 P CB -0.120 31.149 31.700 -0.718 0.000 1.162 337 Y N 1.337 121.553 120.300 -0.139 0.000 2.500 337 Y HA 0.039 4.588 4.550 -0.001 0.000 0.284 337 Y C 1.908 177.798 175.900 -0.017 0.000 1.118 337 Y CA 1.217 59.266 58.100 -0.086 0.000 1.241 337 Y CB -0.234 38.170 38.460 -0.093 0.000 1.171 337 Y HN 0.044 nan 8.280 nan 0.000 0.540 338 D N -2.609 117.857 120.400 0.109 0.000 2.514 338 D HA 0.206 4.846 4.640 -0.001 0.000 0.225 338 D C 1.669 177.997 176.300 0.047 0.000 1.159 338 D CA 0.646 54.707 54.000 0.102 0.000 0.823 338 D CB 0.313 41.201 40.800 0.147 0.000 1.097 338 D HN 0.240 nan 8.370 nan 0.000 0.519 339 G N 0.184 108.929 108.800 -0.091 0.000 2.179 339 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.260 339 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.260 339 G C 0.029 174.902 174.900 -0.046 0.000 0.977 339 G CA 0.171 45.195 45.100 -0.126 0.000 0.641 339 G HN 0.432 nan 8.290 nan 0.000 0.533 340 N N -0.673 118.012 118.700 -0.025 0.000 2.485 340 N HA 0.604 5.344 4.740 -0.001 0.000 0.280 340 N C 0.112 175.579 175.510 -0.072 0.000 1.205 340 N CA -0.334 52.691 53.050 -0.041 0.000 0.959 340 N CB 1.728 40.130 38.487 -0.141 0.000 1.206 340 N HN 0.070 nan 8.380 nan 0.000 0.545 341 V N 1.198 121.026 119.914 -0.144 0.000 2.439 341 V HA 0.274 4.393 4.120 -0.001 0.000 0.282 341 V C -0.501 175.342 176.094 -0.417 0.000 1.039 341 V CA -0.267 61.952 62.300 -0.135 0.000 0.913 341 V CB 0.529 32.333 31.823 -0.033 0.000 0.983 341 V HN 0.603 nan 8.190 nan 0.000 0.460 342 H N 0.957 119.748 119.070 -0.465 0.000 2.797 342 H HA 0.498 5.054 4.556 -0.000 0.000 0.372 342 H C -0.880 174.159 175.328 -0.481 0.000 1.168 342 H CA -0.865 54.864 56.048 -0.531 0.000 1.163 342 H CB 1.259 30.535 29.762 -0.810 0.000 1.778 342 H HN 0.562 nan 8.280 nan 0.000 0.551 343 D N 0.827 121.144 120.400 -0.138 0.000 2.256 343 D HA 0.438 5.078 4.640 -0.001 0.000 0.250 343 D C 1.003 177.275 176.300 -0.045 0.000 1.093 343 D CA 0.943 54.887 54.000 -0.093 0.000 0.882 343 D CB 1.625 42.392 40.800 -0.055 0.000 1.185 343 D HN 0.832 nan 8.370 nan 0.000 0.437 344 G N 0.997 109.729 108.800 -0.113 0.000 2.341 344 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.196 344 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.196 344 G C -1.618 173.097 174.900 -0.308 0.000 1.231 344 G CA -0.867 44.051 45.100 -0.303 0.000 1.155 344 G HN 0.337 nan 8.290 nan 0.000 0.529 345 Y N -0.499 119.860 120.300 0.098 0.000 2.429 345 Y HA 0.879 5.429 4.550 -0.000 0.000 0.342 345 Y C 0.522 176.226 175.900 -0.327 0.000 1.004 345 Y CA -0.765 57.224 58.100 -0.185 0.000 1.075 345 Y CB 2.151 40.479 38.460 -0.220 0.000 1.214 345 Y HN 0.800 nan 8.280 nan 0.000 0.455 346 M N 2.625 122.169 119.600 -0.093 0.000 2.484 346 M HA 0.565 5.045 4.480 -0.001 0.000 0.289 346 M C -2.286 174.117 176.300 0.172 0.000 1.206 346 M CA -1.199 53.981 55.300 -0.199 0.000 0.892 346 M CB 1.659 33.773 32.600 -0.810 0.000 1.712 346 M HN 0.586 nan 8.290 nan 0.000 0.462 347 Y N 0.172 120.541 120.300 0.115 0.000 2.605 347 Y HA 0.829 5.379 4.550 -0.000 0.000 0.343 347 Y C 0.058 175.996 175.900 0.063 0.000 1.036 347 Y CA -0.353 57.852 58.100 0.174 0.000 1.065 347 Y CB 2.730 41.309 38.460 0.198 0.000 1.288 347 Y HN 0.766 nan 8.280 nan 0.000 0.481 348 T N -0.589 114.100 114.554 0.225 0.000 2.661 348 T HA 0.299 4.648 4.350 -0.001 0.000 0.305 348 T C -2.140 172.682 174.700 0.203 0.000 1.441 348 T CA -0.502 61.627 62.100 0.048 0.000 0.999 348 T CB 0.852 69.492 68.868 -0.379 0.000 1.650 348 T HN 0.682 nan 8.240 nan 0.000 0.489 349 D N 1.584 122.080 120.400 0.160 0.000 2.872 349 D HA -0.120 4.520 4.640 -0.001 0.000 0.248 349 D C -0.615 175.806 176.300 0.202 0.000 1.104 349 D CA 0.845 55.037 54.000 0.321 0.000 0.784 349 D CB -1.247 39.870 40.800 0.529 0.000 1.036 349 D HN 0.575 nan 8.370 nan 0.000 0.426 350 N N -0.454 118.164 118.700 -0.136 0.000 2.406 350 N HA 0.422 5.162 4.740 -0.001 0.000 0.283 350 N C -0.411 174.329 175.510 -1.282 0.000 1.074 350 N CA -0.491 52.297 53.050 -0.437 0.000 0.916 350 N CB 1.657 40.129 38.487 -0.026 0.000 1.639 350 N HN 0.131 nan 8.380 nan 0.000 0.485 351 G N 2.103 109.796 108.800 -1.844 0.000 2.404 351 G HA2 0.309 4.269 3.960 -0.001 0.000 0.316 351 G HA3 0.309 4.269 3.960 -0.001 0.000 0.316 351 G C 0.507 175.121 174.900 -0.476 0.000 1.074 351 G CA -0.252 43.691 45.100 -1.930 0.000 0.989 351 G HN 0.496 nan 8.290 nan 0.000 0.430 352 F N 1.149 120.987 119.950 -0.185 0.000 2.250 352 F HA 0.013 4.540 4.527 -0.001 0.000 0.301 352 F C 1.998 177.987 175.800 0.315 0.000 1.077 352 F CA -0.214 57.838 58.000 0.086 0.000 1.348 352 F CB -0.442 38.605 39.000 0.078 0.000 1.040 352 F HN 0.744 nan 8.300 nan 0.000 0.509 353 W N 1.718 123.200 121.300 0.303 0.000 2.342 353 W HA -0.215 4.445 4.660 -0.000 0.000 0.297 353 W C 1.902 178.625 176.519 0.340 0.000 1.213 353 W CA 2.014 59.603 57.345 0.408 0.000 1.251 353 W CB -0.238 29.421 29.460 0.331 0.000 1.136 353 W HN -0.073 nan 8.180 nan 0.000 0.526 354 D N -1.291 119.258 120.400 0.248 0.000 2.144 354 D HA -0.127 4.513 4.640 -0.001 0.000 0.207 354 D C 2.223 178.465 176.300 -0.095 0.000 0.970 354 D CA 2.528 56.519 54.000 -0.015 0.000 0.853 354 D CB -0.868 40.001 40.800 0.115 0.000 1.007 354 D HN 0.257 nan 8.370 nan 0.000 0.469 355 T N -0.574 114.034 114.554 0.090 0.000 3.088 355 T HA -0.062 4.287 4.350 -0.001 0.000 0.259 355 T C 1.954 176.760 174.700 0.176 0.000 1.122 355 T CA 0.053 62.231 62.100 0.130 0.000 1.095 355 T CB -0.660 68.383 68.868 0.292 0.000 0.930 355 T HN 0.180 nan 8.240 nan 0.000 0.508 356 F N 2.060 122.082 119.950 0.119 0.000 2.365 356 F HA 0.274 4.801 4.527 -0.001 0.000 0.300 356 F C 2.145 177.914 175.800 -0.051 0.000 1.090 356 F CA -0.009 58.015 58.000 0.039 0.000 1.408 356 F CB -0.458 38.557 39.000 0.026 0.000 1.060 356 F HN -0.022 nan 8.300 nan 0.000 0.534 357 R N 0.624 120.507 120.500 -1.029 0.000 2.073 357 R HA 0.162 4.501 4.340 -0.001 0.000 0.229 357 R C 1.934 177.930 176.300 -0.505 0.000 1.120 357 R CA 1.433 56.899 56.100 -1.057 0.000 0.967 357 R CB -0.376 29.333 30.300 -0.986 0.000 0.862 357 R HN 0.496 nan 8.270 nan 0.000 0.436 358 A N -1.069 121.584 122.820 -0.279 0.000 1.996 358 A HA 0.148 4.468 4.320 -0.001 0.000 0.185 358 A C 1.795 179.387 177.584 0.013 0.000 1.803 358 A CA -0.312 51.648 52.037 -0.129 0.000 1.335 358 A CB 0.166 19.177 19.000 0.019 0.000 1.486 358 A HN 0.003 nan 8.150 nan 0.000 0.408 359 V N 0.887 120.723 119.914 -0.130 0.000 2.237 359 V HA -0.256 3.864 4.120 -0.001 0.000 0.245 359 V C 2.360 178.011 176.094 -0.739 0.000 1.046 359 V CA 2.347 64.403 62.300 -0.406 0.000 1.007 359 V CB -1.060 30.522 31.823 -0.402 0.000 0.638 359 V HN 0.617 nan 8.190 nan 0.000 0.445 360 H N -0.449 118.431 119.070 -0.316 0.000 2.357 360 H HA -0.055 4.500 4.556 -0.001 0.000 0.301 360 H C 0.033 175.352 175.328 -0.015 0.000 1.082 360 H CA 1.875 57.810 56.048 -0.189 0.000 1.342 360 H CB -1.566 28.184 29.762 -0.020 0.000 1.389 360 H HN 0.398 nan 8.280 nan 0.000 0.511 361 P HA -0.142 nan 4.420 nan 0.000 0.216 361 P C 1.899 179.456 177.300 0.429 0.000 1.150 361 P CA 0.749 63.990 63.100 0.235 0.000 0.837 361 P CB -0.101 31.661 31.700 0.103 0.000 0.786 362 L N -1.674 119.759 121.223 0.350 0.000 2.046 362 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 362 L C 2.043 179.136 176.870 0.373 0.000 1.077 362 L CA 1.945 56.902 54.840 0.195 0.000 0.747 362 L CB -1.243 40.741 42.059 -0.126 0.000 0.896 362 L HN -0.151 nan 8.230 nan 0.000 0.432 363 F N 0.097 120.238 119.950 0.320 0.000 2.126 363 F HA -0.209 4.318 4.527 -0.000 0.000 0.299 363 F C 2.806 178.763 175.800 0.262 0.000 1.096 363 F CA 1.538 59.745 58.000 0.345 0.000 1.255 363 F CB -2.159 36.966 39.000 0.207 0.000 0.997 363 F HN 0.318 nan 8.300 nan 0.000 0.479 364 T N -1.582 113.221 114.554 0.416 0.000 2.881 364 T HA -0.173 4.176 4.350 -0.001 0.000 0.270 364 T C 1.926 176.841 174.700 0.359 0.000 1.068 364 T CA 1.335 63.614 62.100 0.297 0.000 1.131 364 T CB -0.625 68.350 68.868 0.178 0.000 0.871 364 T HN 0.200 nan 8.240 nan 0.000 0.479 365 L N -0.257 121.208 121.223 0.403 0.000 2.121 365 L HA 0.483 4.823 4.340 -0.001 0.000 0.200 365 L C 2.121 179.068 176.870 0.127 0.000 1.077 365 L CA 1.290 56.337 54.840 0.345 0.000 0.766 365 L CB -0.410 41.834 42.059 0.308 0.000 0.931 365 L HN 0.238 nan 8.230 nan 0.000 0.452 366 L N -1.970 119.283 121.223 0.050 0.000 2.463 366 L HA 0.077 4.417 4.340 -0.001 0.000 0.219 366 L C 0.058 176.626 176.870 -0.503 0.000 1.088 366 L CA 0.159 54.831 54.840 -0.279 0.000 0.849 366 L CB 0.227 41.999 42.059 -0.477 0.000 1.012 366 L HN 0.192 nan 8.230 nan 0.000 0.468 367 Y N -1.269 119.194 120.300 0.272 0.000 2.517 367 Y HA 0.276 4.825 4.550 -0.001 0.000 0.330 367 Y C -1.749 174.204 175.900 0.087 0.000 0.917 367 Y CA -1.954 56.272 58.100 0.209 0.000 1.131 367 Y CB -0.136 38.481 38.460 0.261 0.000 1.175 367 Y HN -0.042 nan 8.280 nan 0.000 0.620 368 P HA -0.187 nan 4.420 nan 0.000 0.223 368 P C 1.228 178.547 177.300 0.032 0.000 1.151 368 P CA 1.422 64.592 63.100 0.118 0.000 0.787 368 P CB 0.434 32.200 31.700 0.110 0.000 0.788 369 E N 0.601 120.813 120.200 0.019 0.000 2.204 369 E HA -0.087 4.263 4.350 -0.001 0.000 0.195 369 E C 1.736 178.247 176.600 -0.147 0.000 0.990 369 E CA 1.037 57.416 56.400 -0.036 0.000 0.821 369 E CB -1.353 28.353 29.700 0.010 0.000 0.750 369 E HN 0.106 nan 8.360 nan 0.000 0.477 370 V N 1.599 121.362 119.914 -0.251 0.000 2.323 370 V HA -0.197 3.923 4.120 -0.001 0.000 0.244 370 V C 2.557 178.421 176.094 -0.384 0.000 1.041 370 V CA 1.789 63.779 62.300 -0.516 0.000 1.025 370 V CB -0.623 30.535 31.823 -1.109 0.000 0.656 370 V HN 0.243 nan 8.190 nan 0.000 0.451 371 S N -0.283 115.318 115.700 -0.164 0.000 2.383 371 S HA -0.258 4.211 4.470 -0.001 0.000 0.229 371 S C 1.900 176.441 174.600 -0.099 0.000 1.030 371 S CA 1.731 59.902 58.200 -0.048 0.000 1.002 371 S CB -0.335 62.916 63.200 0.087 0.000 0.829 371 S HN 0.686 nan 8.310 nan 0.000 0.467 372 E N 0.749 120.893 120.200 -0.093 0.000 2.085 372 E HA -0.165 4.184 4.350 -0.001 0.000 0.194 372 E C 2.377 178.913 176.600 -0.107 0.000 0.994 372 E CA 1.036 57.390 56.400 -0.077 0.000 0.801 372 E CB -0.110 29.551 29.700 -0.065 0.000 0.743 372 E HN 0.429 nan 8.360 nan 0.000 0.453 373 R N 0.101 120.479 120.500 -0.202 0.000 2.100 373 R HA -0.009 4.330 4.340 -0.001 0.000 0.220 373 R C 2.431 178.629 176.300 -0.171 0.000 1.091 373 R CA 0.572 56.543 56.100 -0.214 0.000 0.986 373 R CB -0.068 30.037 30.300 -0.324 0.000 0.888 373 R HN 0.032 nan 8.270 nan 0.000 0.444 374 V N 1.282 120.948 119.914 -0.414 0.000 2.358 374 V HA -0.243 3.876 4.120 -0.001 0.000 0.246 374 V C 2.599 178.591 176.094 -0.171 0.000 1.047 374 V CA 2.394 64.427 62.300 -0.445 0.000 1.035 374 V CB -0.643 30.912 31.823 -0.447 0.000 0.658 374 V HN 0.544 nan 8.190 nan 0.000 0.452 375 T N -1.820 112.652 114.554 -0.138 0.000 2.746 375 T HA -0.284 4.066 4.350 -0.001 0.000 0.267 375 T C 1.794 176.472 174.700 -0.035 0.000 1.039 375 T CA 1.623 63.665 62.100 -0.097 0.000 1.142 375 T CB -0.431 68.404 68.868 -0.056 0.000 0.866 375 T HN 0.518 nan 8.240 nan 0.000 0.444 376 Q N 1.382 121.188 119.800 0.010 0.000 2.096 376 Q HA -0.115 4.225 4.340 -0.001 0.000 0.204 376 Q C 2.846 178.887 176.000 0.069 0.000 0.982 376 Q CA 1.893 57.735 55.803 0.065 0.000 0.850 376 Q CB -0.367 28.453 28.738 0.135 0.000 0.901 376 Q HN 0.827 nan 8.270 nan 0.000 0.422 377 S N 0.347 116.095 115.700 0.080 0.000 2.402 377 S HA -0.123 4.347 4.470 -0.001 0.000 0.229 377 S C 1.929 176.551 174.600 0.037 0.000 1.021 377 S CA 0.697 58.947 58.200 0.084 0.000 0.974 377 S CB -0.431 62.892 63.200 0.205 0.000 0.800 377 S HN 0.290 nan 8.310 nan 0.000 0.484 378 I N 1.345 121.933 120.570 0.029 0.000 2.163 378 I HA -0.154 4.015 4.170 -0.001 0.000 0.243 378 I C 2.256 178.369 176.117 -0.007 0.000 1.085 378 I CA 1.169 62.480 61.300 0.019 0.000 1.347 378 I CB -0.352 37.631 38.000 -0.029 0.000 1.044 378 I HN 0.291 nan 8.210 nan 0.000 0.408 379 I N 0.760 121.324 120.570 -0.010 0.000 2.315 379 I HA -0.235 3.935 4.170 -0.001 0.000 0.248 379 I C 2.185 178.343 176.117 0.068 0.000 1.117 379 I CA 1.391 62.704 61.300 0.022 0.000 1.404 379 I CB -1.633 36.367 38.000 0.001 0.000 1.071 379 I HN 0.317 nan 8.210 nan 0.000 0.419 380 N N 1.631 120.352 118.700 0.035 0.000 2.061 380 N HA -0.161 4.579 4.740 -0.001 0.000 0.193 380 N C 1.944 177.411 175.510 -0.072 0.000 1.030 380 N CA 1.824 54.884 53.050 0.018 0.000 0.856 380 N CB -0.352 38.165 38.487 0.050 0.000 1.023 380 N HN 0.381 nan 8.380 nan 0.000 0.424 381 A N 0.147 122.861 122.820 -0.178 0.000 1.933 381 A HA -0.178 4.142 4.320 -0.001 0.000 0.218 381 A C 2.170 179.568 177.584 -0.310 0.000 1.175 381 A CA 1.131 52.841 52.037 -0.545 0.000 0.628 381 A CB -0.964 17.474 19.000 -0.936 0.000 0.814 381 A HN 0.424 nan 8.150 nan 0.000 0.444 382 Y N 1.573 121.747 120.300 -0.211 0.000 2.128 382 Y HA -0.240 4.309 4.550 -0.000 0.000 0.284 382 Y C 2.108 177.934 175.900 -0.122 0.000 1.154 382 Y CA 2.193 60.218 58.100 -0.124 0.000 1.149 382 Y CB -0.307 38.086 38.460 -0.111 0.000 0.976 382 Y HN 0.324 nan 8.280 nan 0.000 0.505 383 N N 0.531 119.154 118.700 -0.129 0.000 2.244 383 N HA -0.144 4.596 4.740 -0.001 0.000 0.183 383 N C 1.507 176.917 175.510 -0.166 0.000 1.016 383 N CA 1.756 54.692 53.050 -0.189 0.000 0.866 383 N CB -0.250 38.217 38.487 -0.032 0.000 0.980 383 N HN 0.612 nan 8.380 nan 0.000 0.430 384 E N -0.566 119.562 120.200 -0.119 0.000 2.318 384 E HA 0.026 4.376 4.350 -0.001 0.000 0.193 384 E C 1.418 178.022 176.600 0.007 0.000 0.998 384 E CA 0.784 57.162 56.400 -0.037 0.000 0.859 384 E CB 0.230 29.922 29.700 -0.014 0.000 0.812 384 E HN 0.353 nan 8.360 nan 0.000 0.492 385 S N -2.184 113.498 115.700 -0.031 0.000 2.628 385 S HA 0.317 4.786 4.470 -0.001 0.000 0.246 385 S C 1.559 176.198 174.600 0.066 0.000 1.062 385 S CA 0.298 58.573 58.200 0.125 0.000 1.028 385 S CB 1.097 64.502 63.200 0.342 0.000 0.985 385 S HN 0.278 nan 8.310 nan 0.000 0.551 386 G N 0.452 109.122 108.800 -0.217 0.000 2.217 386 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.246 386 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.246 386 G C -0.142 174.441 174.900 -0.528 0.000 0.990 386 G CA 0.222 45.028 45.100 -0.490 0.000 0.627 386 G HN 0.534 nan 8.290 nan 0.000 0.522 387 F N 0.050 120.049 119.950 0.081 0.000 2.613 387 F HA 0.738 5.264 4.527 -0.001 0.000 0.310 387 F C 0.596 176.580 175.800 0.307 0.000 1.085 387 F CA -1.081 57.085 58.000 0.277 0.000 0.945 387 F CB 1.464 40.529 39.000 0.107 0.000 1.298 387 F HN -0.043 nan 8.300 nan 0.000 0.455 388 M N 4.037 123.926 119.600 0.482 0.000 2.242 388 M HA 0.277 4.756 4.480 -0.001 0.000 0.344 388 M C -2.341 174.193 176.300 0.389 0.000 1.140 388 M CA -1.441 54.043 55.300 0.307 0.000 1.160 388 M CB 0.569 33.265 32.600 0.160 0.000 1.491 388 M HN 0.162 nan 8.290 nan 0.000 0.459 389 P HA 0.116 nan 4.420 nan 0.000 0.274 389 P C -0.633 176.785 177.300 0.197 0.000 1.231 389 P CA 0.042 63.318 63.100 0.294 0.000 0.790 389 P CB 1.094 32.829 31.700 0.058 0.000 0.951 390 E N 0.533 120.800 120.200 0.112 0.000 2.419 390 E HA 0.081 4.431 4.350 -0.001 0.000 0.197 390 E C -0.242 176.239 176.600 -0.199 0.000 0.920 390 E CA 0.698 57.126 56.400 0.047 0.000 1.085 390 E CB -0.039 29.772 29.700 0.185 0.000 1.084 390 E HN 0.473 nan 8.360 nan 0.000 0.490 391 W N 0.929 122.184 121.300 -0.076 0.000 2.417 391 W HA 0.571 5.230 4.660 -0.001 0.000 0.315 391 W C -0.848 175.602 176.519 -0.115 0.000 1.045 391 W CA -0.335 56.946 57.345 -0.108 0.000 1.221 391 W CB 1.595 31.032 29.460 -0.037 0.000 1.309 391 W HN -0.007 nan 8.180 nan 0.000 0.453 392 A N 3.226 126.164 122.820 0.196 0.000 2.343 392 A HA 0.700 5.020 4.320 -0.001 0.000 0.308 392 A C -0.825 176.827 177.584 0.114 0.000 1.092 392 A CA -0.534 51.539 52.037 0.059 0.000 0.751 392 A CB 1.816 20.773 19.000 -0.072 0.000 1.203 392 A HN 0.338 nan 8.150 nan 0.000 0.452 393 S N 3.800 119.460 115.700 -0.066 0.000 2.441 393 S HA 0.437 4.907 4.470 -0.001 0.000 0.187 393 S C -2.533 171.746 174.600 -0.536 0.000 0.917 393 S CA -0.444 57.671 58.200 -0.142 0.000 1.078 393 S CB 1.054 64.332 63.200 0.130 0.000 1.379 393 S HN 0.479 nan 8.310 nan 0.000 0.399 394 P HA 0.255 nan 4.420 nan 0.000 0.228 394 P C 0.981 177.773 177.300 -0.847 0.000 1.166 394 P CA 0.510 63.017 63.100 -0.988 0.000 0.812 394 P CB 0.101 30.975 31.700 -1.377 0.000 0.857 395 G N -0.679 107.645 108.800 -0.793 0.000 2.702 395 G HA2 0.214 4.174 3.960 -0.001 0.000 0.254 395 G HA3 0.214 4.174 3.960 -0.001 0.000 0.254 395 G C -0.579 174.067 174.900 -0.423 0.000 1.380 395 G CA -0.419 44.132 45.100 -0.915 0.000 1.042 395 G HN 0.064 nan 8.290 nan 0.000 0.557 396 H N 0.877 119.882 119.070 -0.107 0.000 3.034 396 H HA 0.161 4.717 4.556 -0.001 0.000 0.324 396 H C 0.218 175.480 175.328 -0.110 0.000 1.015 396 H CA 0.627 56.666 56.048 -0.015 0.000 1.429 396 H CB 0.454 30.204 29.762 -0.019 0.000 1.429 396 H HN 0.123 nan 8.280 nan 0.000 0.585 397 R N 1.650 122.192 120.500 0.069 0.000 2.621 397 R HA 0.252 4.591 4.340 -0.001 0.000 0.292 397 R C 0.245 176.527 176.300 -0.031 0.000 0.969 397 R CA -0.938 55.142 56.100 -0.033 0.000 0.887 397 R CB 2.030 32.279 30.300 -0.085 0.000 1.180 397 R HN 0.768 nan 8.270 nan 0.000 0.450 398 G N 1.111 109.855 108.800 -0.092 0.000 2.428 398 G HA2 0.285 4.245 3.960 -0.001 0.000 0.293 398 G HA3 0.285 4.245 3.960 -0.001 0.000 0.293 398 G C -0.332 174.502 174.900 -0.111 0.000 1.059 398 G CA 0.030 45.076 45.100 -0.090 0.000 1.194 398 G HN 0.516 nan 8.290 nan 0.000 0.435 399 C N 5.461 124.722 119.300 -0.065 0.000 3.046 399 C HA 0.634 5.094 4.460 -0.001 0.000 0.388 399 C C 0.032 175.052 174.990 0.050 0.000 1.041 399 C CA -0.613 58.330 59.018 -0.125 0.000 1.241 399 C CB 0.394 27.847 27.740 -0.478 0.000 1.638 399 C HN 1.007 nan 8.230 nan 0.000 0.539 400 M N 2.975 122.535 119.600 -0.067 0.000 7.319 400 M HA -0.203 4.277 4.480 -0.001 0.000 0.142 400 M C -0.246 175.978 176.300 -0.126 0.000 0.480 400 M CA 2.066 57.254 55.300 -0.186 0.000 1.311 400 M CB -1.933 30.569 32.600 -0.164 0.000 0.421 400 M HN 1.157 nan 8.290 nan 0.000 0.209 401 I N -3.038 117.439 120.570 -0.156 0.000 3.263 401 I HA 0.872 5.042 4.170 -0.001 0.000 0.314 401 I C 0.305 176.573 176.117 0.252 0.000 1.269 401 I CA -0.187 61.118 61.300 0.008 0.000 0.942 401 I CB 1.891 39.834 38.000 -0.094 0.000 1.305 401 I HN 1.683 nan 8.210 nan 0.000 0.474 402 G N 2.137 111.133 108.800 0.326 0.000 2.655 402 G HA2 -0.163 3.797 3.960 -0.001 0.000 0.680 402 G HA3 -0.163 3.797 3.960 -0.001 0.000 0.680 402 G C -1.070 174.043 174.900 0.354 0.000 1.302 402 G CA -0.156 45.209 45.100 0.443 0.000 0.872 402 G HN 1.034 nan 8.290 nan 0.000 0.540 403 N N 0.184 119.050 118.700 0.276 0.000 2.660 403 N HA 0.243 4.983 4.740 -0.001 0.000 0.316 403 N C 0.739 176.285 175.510 0.060 0.000 1.774 403 N CA -0.267 52.860 53.050 0.127 0.000 0.946 403 N CB 0.327 38.821 38.487 0.012 0.000 1.322 403 N HN 0.487 nan 8.380 nan 0.000 0.492 404 N N -0.219 118.551 118.700 0.116 0.000 2.467 404 N HA -0.104 4.636 4.740 -0.001 0.000 0.184 404 N C 1.760 177.230 175.510 -0.067 0.000 1.106 404 N CA 0.274 53.290 53.050 -0.057 0.000 0.892 404 N CB 0.267 38.692 38.487 -0.104 0.000 0.969 404 N HN 0.266 nan 8.380 nan 0.000 0.454 405 S N -0.058 115.686 115.700 0.073 0.000 2.387 405 S HA -0.173 4.297 4.470 -0.001 0.000 0.230 405 S C 1.971 176.406 174.600 -0.275 0.000 1.035 405 S CA 1.053 59.187 58.200 -0.110 0.000 1.014 405 S CB -0.817 62.474 63.200 0.151 0.000 0.836 405 S HN 0.069 nan 8.310 nan 0.000 0.466 406 V N 1.723 121.500 119.914 -0.229 0.000 2.343 406 V HA -0.157 3.963 4.120 -0.001 0.000 0.247 406 V C 2.985 178.872 176.094 -0.345 0.000 1.051 406 V CA 1.977 64.081 62.300 -0.326 0.000 1.036 406 V CB -1.223 30.410 31.823 -0.315 0.000 0.654 406 V HN 0.688 nan 8.190 nan 0.000 0.451 407 S N -0.395 115.130 115.700 -0.292 0.000 2.368 407 S HA -0.182 4.287 4.470 -0.001 0.000 0.225 407 S C 1.923 176.425 174.600 -0.163 0.000 1.030 407 S CA 1.633 59.715 58.200 -0.197 0.000 0.999 407 S CB -0.291 62.838 63.200 -0.118 0.000 0.844 407 S HN 0.373 nan 8.310 nan 0.000 0.459 408 L N 1.553 122.611 121.223 -0.276 0.000 2.013 408 L HA -0.085 4.255 4.340 -0.001 0.000 0.212 408 L C 2.382 179.099 176.870 -0.254 0.000 1.073 408 L CA 1.634 56.273 54.840 -0.334 0.000 0.753 408 L CB -0.773 40.866 42.059 -0.700 0.000 0.890 408 L HN 0.364 nan 8.230 nan 0.000 0.432 409 L N -1.901 119.136 121.223 -0.310 0.000 2.017 409 L HA -0.207 4.133 4.340 -0.001 0.000 0.208 409 L C 2.388 179.133 176.870 -0.207 0.000 1.073 409 L CA 0.905 55.576 54.840 -0.282 0.000 0.745 409 L CB -0.669 41.123 42.059 -0.445 0.000 0.894 409 L HN 0.091 nan 8.230 nan 0.000 0.432 410 V N -0.265 119.483 119.914 -0.277 0.000 2.379 410 V HA -0.265 3.855 4.120 -0.001 0.000 0.245 410 V C 2.132 178.225 176.094 -0.002 0.000 1.044 410 V CA 1.962 64.162 62.300 -0.168 0.000 1.036 410 V CB -0.460 31.199 31.823 -0.272 0.000 0.664 410 V HN 0.443 nan 8.190 nan 0.000 0.453 411 D N 0.520 120.906 120.400 -0.023 0.000 2.104 411 D HA -0.170 4.469 4.640 -0.001 0.000 0.194 411 D C 2.125 178.426 176.300 0.000 0.000 0.994 411 D CA 1.645 55.651 54.000 0.009 0.000 0.830 411 D CB -0.144 40.674 40.800 0.030 0.000 0.959 411 D HN 0.354 nan 8.370 nan 0.000 0.452 412 A N 0.358 123.186 122.820 0.013 0.000 1.877 412 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 412 A C 2.288 179.909 177.584 0.061 0.000 1.186 412 A CA 1.368 53.417 52.037 0.021 0.000 0.620 412 A CB -1.442 17.573 19.000 0.025 0.000 0.822 412 A HN 0.629 nan 8.150 nan 0.000 0.443 413 W N 0.099 121.371 121.300 -0.047 0.000 2.338 413 W HA -0.170 4.489 4.660 -0.001 0.000 0.304 413 W C 1.522 178.043 176.519 0.004 0.000 1.212 413 W CA 2.024 59.381 57.345 0.021 0.000 1.264 413 W CB -0.231 29.317 29.460 0.147 0.000 1.142 413 W HN 0.266 nan 8.180 nan 0.000 0.512 414 M N 0.435 120.163 119.600 0.212 0.000 2.630 414 M HA -0.070 4.410 4.480 -0.001 0.000 0.254 414 M C 1.167 177.454 176.300 -0.023 0.000 1.092 414 M CA 1.259 56.616 55.300 0.096 0.000 1.087 414 M CB -1.014 31.629 32.600 0.072 0.000 1.453 414 M HN -0.047 nan 8.290 nan 0.000 0.509 415 K N -0.422 119.923 120.400 -0.091 0.000 2.372 415 K HA 0.330 4.650 4.320 -0.001 0.000 0.200 415 K C 0.987 177.538 176.600 -0.082 0.000 1.022 415 K CA 0.390 56.573 56.287 -0.175 0.000 1.125 415 K CB 0.423 32.623 32.500 -0.500 0.000 0.855 415 K HN 0.425 nan 8.250 nan 0.000 0.524 416 G N 1.651 110.367 108.800 -0.140 0.000 2.157 416 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.239 416 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.239 416 G C 0.037 174.812 174.900 -0.209 0.000 0.982 416 G CA -0.409 44.580 45.100 -0.185 0.000 0.650 416 G HN 0.236 nan 8.290 nan 0.000 0.527 417 I N 1.420 121.885 120.570 -0.175 0.000 2.291 417 I HA 0.354 4.523 4.170 -0.001 0.000 0.292 417 I C 0.282 176.279 176.117 -0.201 0.000 1.064 417 I CA 0.097 61.320 61.300 -0.128 0.000 1.269 417 I CB 1.036 39.014 38.000 -0.037 0.000 1.418 417 I HN 0.120 nan 8.210 nan 0.000 0.485 418 Q N 4.714 124.346 119.800 -0.280 0.000 2.891 418 Q HA 0.206 4.546 4.340 -0.001 0.000 0.242 418 Q C 0.268 176.201 176.000 -0.111 0.000 0.959 418 Q CA -0.242 55.300 55.803 -0.434 0.000 0.707 418 Q CB 1.411 29.481 28.738 -1.114 0.000 1.283 418 Q HN 0.766 nan 8.270 nan 0.000 0.480 419 T N -3.368 111.219 114.554 0.055 0.000 3.040 419 T HA 0.273 4.622 4.350 -0.001 0.000 0.266 419 T C 0.550 175.329 174.700 0.132 0.000 1.005 419 T CA -0.050 62.093 62.100 0.071 0.000 0.906 419 T CB 0.201 69.097 68.868 0.048 0.000 1.082 419 T HN 0.276 nan 8.240 nan 0.000 0.531 420 V N -1.738 118.312 119.914 0.227 0.000 2.919 420 V HA 0.561 4.680 4.120 -0.001 0.000 0.316 420 V C -0.458 175.782 176.094 0.243 0.000 1.077 420 V CA -1.366 61.048 62.300 0.191 0.000 0.977 420 V CB 1.768 33.667 31.823 0.127 0.000 1.039 420 V HN 0.235 nan 8.190 nan 0.000 0.441 421 D N 1.548 122.031 120.400 0.138 0.000 2.401 421 D HA 0.218 4.857 4.640 -0.001 0.000 0.254 421 D C 1.183 177.530 176.300 0.079 0.000 1.192 421 D CA 0.668 54.736 54.000 0.114 0.000 0.885 421 D CB 2.004 42.841 40.800 0.061 0.000 1.147 421 D HN 0.869 nan 8.370 nan 0.000 0.478 422 A N 4.589 127.467 122.820 0.097 0.000 1.883 422 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 422 A C 1.976 179.512 177.584 -0.081 0.000 1.186 422 A CA 1.631 53.627 52.037 -0.069 0.000 0.624 422 A CB -0.397 18.548 19.000 -0.091 0.000 0.822 422 A HN 0.686 nan 8.150 nan 0.000 0.444 423 E N -0.175 119.991 120.200 -0.056 0.000 2.077 423 E HA -0.193 4.156 4.350 -0.001 0.000 0.193 423 E C 2.004 178.563 176.600 -0.068 0.000 0.989 423 E CA 1.711 58.072 56.400 -0.064 0.000 0.800 423 E CB -0.147 29.527 29.700 -0.044 0.000 0.746 423 E HN 0.471 nan 8.360 nan 0.000 0.452 424 K N 0.224 120.593 120.400 -0.052 0.000 2.057 424 K HA -0.020 4.300 4.320 -0.001 0.000 0.207 424 K C 1.841 178.330 176.600 -0.185 0.000 1.049 424 K CA 1.576 57.820 56.287 -0.071 0.000 0.931 424 K CB -0.691 31.800 32.500 -0.016 0.000 0.714 424 K HN 0.139 nan 8.250 nan 0.000 0.440 425 A N 0.567 123.278 122.820 -0.182 0.000 1.902 425 A HA -0.117 4.203 4.320 -0.001 0.000 0.217 425 A C 2.135 179.506 177.584 -0.356 0.000 1.181 425 A CA 1.660 53.503 52.037 -0.323 0.000 0.623 425 A CB -0.761 18.014 19.000 -0.374 0.000 0.818 425 A HN 0.368 nan 8.150 nan 0.000 0.443 426 L N 0.188 121.324 121.223 -0.145 0.000 2.056 426 L HA -0.143 4.197 4.340 -0.001 0.000 0.207 426 L C 2.320 179.065 176.870 -0.209 0.000 1.078 426 L CA 2.657 57.425 54.840 -0.120 0.000 0.749 426 L CB -0.684 41.355 42.059 -0.033 0.000 0.901 426 L HN 0.625 nan 8.230 nan 0.000 0.433 427 E N -0.440 119.648 120.200 -0.186 0.000 2.070 427 E HA -0.292 4.058 4.350 -0.001 0.000 0.197 427 E C 2.022 178.457 176.600 -0.275 0.000 1.004 427 E CA 1.474 57.773 56.400 -0.168 0.000 0.805 427 E CB -0.196 29.442 29.700 -0.105 0.000 0.744 427 E HN 0.605 nan 8.360 nan 0.000 0.451 428 A N 0.705 123.187 122.820 -0.564 0.000 1.933 428 A HA -0.164 4.156 4.320 -0.001 0.000 0.218 428 A C 2.214 179.525 177.584 -0.455 0.000 1.175 428 A CA 1.675 53.141 52.037 -0.951 0.000 0.628 428 A CB -0.470 17.664 19.000 -1.443 0.000 0.814 428 A HN 0.312 nan 8.150 nan 0.000 0.444 429 M N -0.744 118.612 119.600 -0.406 0.000 2.099 429 M HA -0.074 4.406 4.480 -0.001 0.000 0.262 429 M C 2.126 178.272 176.300 -0.257 0.000 1.067 429 M CA 1.587 56.679 55.300 -0.347 0.000 1.124 429 M CB -0.516 31.814 32.600 -0.451 0.000 1.353 429 M HN 0.373 nan 8.290 nan 0.000 0.410 430 I N -0.757 119.673 120.570 -0.233 0.000 2.163 430 I HA -0.346 3.824 4.170 -0.001 0.000 0.243 430 I C 2.561 178.627 176.117 -0.085 0.000 1.085 430 I CA 1.738 62.963 61.300 -0.125 0.000 1.347 430 I CB -0.623 37.329 38.000 -0.079 0.000 1.044 430 I HN 0.350 nan 8.210 nan 0.000 0.408 431 H N 0.703 119.674 119.070 -0.166 0.000 2.387 431 H HA -0.271 4.285 4.556 -0.001 0.000 0.299 431 H C 2.173 177.411 175.328 -0.151 0.000 1.099 431 H CA 2.015 57.965 56.048 -0.163 0.000 1.315 431 H CB -0.024 29.667 29.762 -0.118 0.000 1.380 431 H HN 0.216 nan 8.280 nan 0.000 0.513 432 Q N -0.177 119.556 119.800 -0.112 0.000 2.226 432 Q HA -0.105 4.235 4.340 -0.001 0.000 0.204 432 Q C 2.151 178.031 176.000 -0.199 0.000 0.975 432 Q CA 1.957 57.720 55.803 -0.067 0.000 0.866 432 Q CB -0.167 28.561 28.738 -0.018 0.000 0.915 432 Q HN 0.688 nan 8.270 nan 0.000 0.440 433 T N -3.426 110.984 114.554 -0.240 0.000 3.044 433 T HA 0.103 4.453 4.350 -0.001 0.000 0.250 433 T C 1.105 175.557 174.700 -0.413 0.000 1.081 433 T CA -0.006 61.929 62.100 -0.275 0.000 1.040 433 T CB 0.243 69.059 68.868 -0.086 0.000 0.962 433 T HN 0.087 nan 8.240 nan 0.000 0.506 434 Q N 0.608 120.065 119.800 -0.573 0.000 2.159 434 Q HA 0.634 4.974 4.340 -0.001 0.000 0.217 434 Q C 0.098 175.213 176.000 -1.475 0.000 0.818 434 Q CA -0.025 55.268 55.803 -0.849 0.000 1.008 434 Q CB 1.415 29.930 28.738 -0.372 0.000 1.148 434 Q HN 0.701 nan 8.270 nan 0.000 0.491 435 A N 0.429 122.462 122.820 -1.311 0.000 2.609 435 A HA 0.808 5.128 4.320 -0.001 0.000 0.291 435 A C -1.218 176.240 177.584 -0.211 0.000 1.096 435 A CA -0.630 50.949 52.037 -0.764 0.000 0.684 435 A CB 2.124 20.714 19.000 -0.684 0.000 1.282 435 A HN 0.017 nan 8.150 nan 0.000 0.412 436 R N 0.853 121.440 120.500 0.145 0.000 2.651 436 R HA 0.273 4.613 4.340 -0.001 0.000 0.278 436 R C -1.279 174.973 176.300 -0.080 0.000 1.010 436 R CA -0.563 55.553 56.100 0.027 0.000 0.896 436 R CB 1.384 31.768 30.300 0.141 0.000 1.211 436 R HN 1.062 nan 8.270 nan 0.000 0.456 437 H N 1.949 120.635 119.070 -0.641 0.000 2.972 437 H HA -0.006 4.550 4.556 -0.001 0.000 0.343 437 H C 0.695 175.936 175.328 -0.145 0.000 1.054 437 H CA 1.360 57.125 56.048 -0.473 0.000 1.412 437 H CB 1.406 30.811 29.762 -0.595 0.000 1.385 437 H HN 0.726 nan 8.280 nan 0.000 0.600 438 A N 4.410 127.077 122.820 -0.255 0.000 1.978 438 A HA -0.180 4.139 4.320 -0.001 0.000 0.220 438 A C 1.978 179.596 177.584 0.056 0.000 1.170 438 A CA 1.945 53.938 52.037 -0.073 0.000 0.636 438 A CB 0.023 18.955 19.000 -0.113 0.000 0.810 438 A HN 0.780 nan 8.150 nan 0.000 0.448 439 E N -1.498 118.856 120.200 0.257 0.000 2.421 439 E HA 0.311 4.660 4.350 -0.001 0.000 0.209 439 E C -0.162 176.491 176.600 0.089 0.000 0.871 439 E CA 0.095 56.598 56.400 0.172 0.000 1.064 439 E CB 0.498 30.294 29.700 0.161 0.000 1.075 439 E HN 0.563 nan 8.360 nan 0.000 0.513 440 I N 1.141 121.749 120.570 0.063 0.000 2.330 440 I HA 0.281 4.451 4.170 -0.001 0.000 0.286 440 I C 0.975 177.020 176.117 -0.119 0.000 1.025 440 I CA -0.527 60.680 61.300 -0.155 0.000 1.197 440 I CB 1.673 39.413 38.000 -0.433 0.000 1.358 440 I HN 0.019 nan 8.210 nan 0.000 0.467 441 A N 4.274 127.055 122.820 -0.065 0.000 1.978 441 A HA -0.181 4.139 4.320 -0.001 0.000 0.220 441 A C 2.250 179.811 177.584 -0.039 0.000 1.170 441 A CA 2.193 54.209 52.037 -0.036 0.000 0.636 441 A CB -0.423 18.566 19.000 -0.018 0.000 0.810 441 A HN 0.768 nan 8.150 nan 0.000 0.448 442 S N -1.222 114.447 115.700 -0.052 0.000 2.603 442 S HA 0.215 4.685 4.470 -0.001 0.000 0.220 442 S C 0.270 174.845 174.600 -0.042 0.000 0.967 442 S CA 0.244 58.440 58.200 -0.007 0.000 0.920 442 S CB -0.333 62.886 63.200 0.032 0.000 0.773 442 S HN 0.123 nan 8.310 nan 0.000 0.529 443 V N 2.473 122.278 119.914 -0.180 0.000 2.333 443 V HA 0.695 4.814 4.120 -0.001 0.000 0.274 443 V C 1.009 176.818 176.094 -0.474 0.000 1.028 443 V CA 0.349 62.443 62.300 -0.344 0.000 0.851 443 V CB -0.248 31.190 31.823 -0.642 0.000 1.000 443 V HN 0.759 nan 8.190 nan 0.000 0.456 444 G N 5.082 113.748 108.800 -0.224 0.000 2.484 444 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.225 444 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.225 444 G C -0.228 174.626 174.900 -0.077 0.000 1.250 444 G CA 0.043 45.092 45.100 -0.084 0.000 0.926 444 G HN 0.875 nan 8.290 nan 0.000 0.581 445 R N 0.636 121.078 120.500 -0.097 0.000 2.363 445 R HA 0.443 4.783 4.340 -0.001 0.000 0.297 445 R C -0.756 175.597 176.300 0.089 0.000 1.208 445 R CA -0.473 55.536 56.100 -0.151 0.000 1.121 445 R CB 0.397 30.439 30.300 -0.431 0.000 1.124 445 R HN 0.569 nan 8.270 nan 0.000 0.561 446 D N 2.784 123.273 120.400 0.148 0.000 2.487 446 D HA 0.089 4.729 4.640 -0.001 0.000 0.243 446 D C 0.988 177.422 176.300 0.223 0.000 1.154 446 D CA 2.146 56.249 54.000 0.172 0.000 0.876 446 D CB 0.734 41.614 40.800 0.132 0.000 1.161 446 D HN 0.808 nan 8.370 nan 0.000 0.478 447 G N 3.539 112.421 108.800 0.136 0.000 2.147 447 G HA2 -0.348 3.612 3.960 -0.001 0.000 0.244 447 G HA3 -0.348 3.612 3.960 -0.001 0.000 0.244 447 G C 0.826 175.791 174.900 0.107 0.000 1.005 447 G CA 0.469 45.651 45.100 0.137 0.000 0.713 447 G HN 0.595 nan 8.290 nan 0.000 0.515 448 F N 0.284 120.243 119.950 0.014 0.000 2.171 448 F HA 0.155 4.681 4.527 -0.001 0.000 0.300 448 F C 2.011 177.832 175.800 0.036 0.000 1.090 448 F CA 1.557 59.543 58.000 -0.024 0.000 1.293 448 F CB -0.535 38.388 39.000 -0.130 0.000 1.013 448 F HN 0.269 nan 8.300 nan 0.000 0.486 449 E N 0.414 120.125 120.200 -0.814 0.000 2.038 449 E HA -0.211 4.138 4.350 -0.001 0.000 0.195 449 E C 1.962 178.394 176.600 -0.279 0.000 1.000 449 E CA 2.108 58.162 56.400 -0.577 0.000 0.803 449 E CB -0.861 28.372 29.700 -0.778 0.000 0.750 449 E HN 0.507 nan 8.360 nan 0.000 0.448 450 Y N -0.579 119.605 120.300 -0.193 0.000 2.128 450 Y HA -0.248 4.301 4.550 -0.001 0.000 0.284 450 Y C 2.305 178.121 175.900 -0.140 0.000 1.154 450 Y CA 1.430 59.426 58.100 -0.174 0.000 1.149 450 Y CB -0.911 37.447 38.460 -0.170 0.000 0.976 450 Y HN 0.164 nan 8.280 nan 0.000 0.505 451 Y N 1.164 121.483 120.300 0.032 0.000 2.128 451 Y HA -0.290 4.260 4.550 -0.001 0.000 0.284 451 Y C 2.043 177.935 175.900 -0.013 0.000 1.154 451 Y CA 2.068 60.184 58.100 0.027 0.000 1.149 451 Y CB -0.432 38.122 38.460 0.157 0.000 0.976 451 Y HN 0.086 nan 8.280 nan 0.000 0.505 452 D N -0.058 120.400 120.400 0.097 0.000 2.178 452 D HA -0.123 4.517 4.640 -0.001 0.000 0.202 452 D C 2.297 178.535 176.300 -0.104 0.000 0.974 452 D CA 1.901 55.890 54.000 -0.018 0.000 0.841 452 D CB -0.179 40.664 40.800 0.072 0.000 0.953 452 D HN 0.543 nan 8.370 nan 0.000 0.478 453 K N 0.429 120.767 120.400 -0.102 0.000 2.098 453 K HA 0.117 4.437 4.320 -0.001 0.000 0.203 453 K C 2.191 178.702 176.600 -0.147 0.000 1.051 453 K CA 0.491 56.711 56.287 -0.111 0.000 0.957 453 K CB -0.686 31.754 32.500 -0.101 0.000 0.738 453 K HN 0.153 nan 8.250 nan 0.000 0.447 454 L N -1.652 119.434 121.223 -0.228 0.000 2.463 454 L HA 0.276 4.616 4.340 -0.001 0.000 0.219 454 L C 1.841 178.554 176.870 -0.261 0.000 1.088 454 L CA 0.612 55.257 54.840 -0.326 0.000 0.849 454 L CB 0.564 42.185 42.059 -0.729 0.000 1.012 454 L HN 0.594 nan 8.230 nan 0.000 0.468 455 G N 0.145 108.760 108.800 -0.307 0.000 2.175 455 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.244 455 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.244 455 G C 0.011 174.838 174.900 -0.121 0.000 0.982 455 G CA 0.288 45.239 45.100 -0.249 0.000 0.641 455 G HN 0.464 nan 8.290 nan 0.000 0.527 456 Y N -2.853 117.353 120.300 -0.156 0.000 2.677 456 Y HA 0.645 5.195 4.550 -0.000 0.000 0.334 456 Y C -0.465 175.510 175.900 0.124 0.000 1.196 456 Y CA -1.609 56.508 58.100 0.028 0.000 1.059 456 Y CB 0.769 39.208 38.460 -0.034 0.000 1.315 456 Y HN 0.419 nan 8.280 nan 0.000 0.455 457 V N 3.688 123.775 119.914 0.289 0.000 2.465 457 V HA 0.502 4.622 4.120 -0.001 0.000 0.279 457 V C -2.209 173.946 176.094 0.101 0.000 1.045 457 V CA -1.626 60.757 62.300 0.139 0.000 0.938 457 V CB 1.061 32.976 31.823 0.153 0.000 0.986 457 V HN 0.654 nan 8.190 nan 0.000 0.467 458 P HA 0.373 nan 4.420 nan 0.000 0.287 458 P C -1.634 175.590 177.300 -0.127 0.000 1.270 458 P CA -0.599 62.444 63.100 -0.095 0.000 0.844 458 P CB 1.320 32.801 31.700 -0.365 0.000 1.068 459 Y N 3.632 123.800 120.300 -0.219 0.000 2.446 459 Y HA 0.430 4.979 4.550 -0.000 0.000 0.345 459 Y C -1.790 173.991 175.900 -0.199 0.000 0.984 459 Y CA -2.591 55.372 58.100 -0.229 0.000 1.058 459 Y CB 2.359 40.646 38.460 -0.288 0.000 1.220 459 Y HN 0.217 nan 8.280 nan 0.000 0.455 460 P HA 0.065 nan 4.420 nan 0.000 0.253 460 P C 0.089 176.996 177.300 -0.654 0.000 1.260 460 P CA 0.626 62.920 63.100 -1.344 0.000 0.800 460 P CB 0.488 31.623 31.700 -0.941 0.000 1.162 461 E N -0.117 119.836 120.200 -0.412 0.000 2.118 461 E HA -0.071 4.279 4.350 -0.001 0.000 0.195 461 E C 0.577 177.067 176.600 -0.183 0.000 0.992 461 E CA 1.042 57.276 56.400 -0.277 0.000 0.804 461 E CB -0.259 29.208 29.700 -0.388 0.000 0.741 461 E HN 0.124 nan 8.360 nan 0.000 0.458 462 V N 1.574 121.384 119.914 -0.172 0.000 2.531 462 V HA 0.288 4.408 4.120 -0.001 0.000 0.301 462 V C -2.496 173.599 176.094 0.001 0.000 1.034 462 V CA -2.338 59.928 62.300 -0.056 0.000 0.865 462 V CB 1.845 33.668 31.823 -0.001 0.000 0.995 462 V HN -0.075 nan 8.190 nan 0.000 0.424 463 P HA 0.176 nan 4.420 nan 0.000 0.269 463 P C 0.187 177.490 177.300 0.005 0.000 1.209 463 P CA 0.199 63.346 63.100 0.079 0.000 0.776 463 P CB 0.213 31.927 31.700 0.023 0.000 0.876 464 E N 0.323 120.488 120.200 -0.058 0.000 2.722 464 E HA -0.312 4.038 4.350 -0.001 0.000 0.265 464 E C 1.025 177.436 176.600 -0.314 0.000 1.081 464 E CA 0.427 56.681 56.400 -0.244 0.000 0.781 464 E CB -1.754 27.821 29.700 -0.208 0.000 1.372 464 E HN 0.534 nan 8.360 nan 0.000 0.423 465 A N -0.082 122.598 122.820 -0.233 0.000 1.940 465 A HA -0.236 4.084 4.320 -0.001 0.000 0.219 465 A C 2.286 179.692 177.584 -0.297 0.000 1.176 465 A CA 2.153 54.074 52.037 -0.193 0.000 0.631 465 A CB -0.368 18.590 19.000 -0.071 0.000 0.814 465 A HN 0.346 nan 8.150 nan 0.000 0.446 466 T N -0.154 114.099 114.554 -0.502 0.000 2.812 466 T HA 0.111 4.460 4.350 -0.001 0.000 0.264 466 T C 2.270 176.698 174.700 -0.453 0.000 1.042 466 T CA 1.291 63.103 62.100 -0.480 0.000 1.140 466 T CB -0.398 68.005 68.868 -0.774 0.000 0.870 466 T HN 0.587 nan 8.240 nan 0.000 0.445 467 A N 1.965 124.346 122.820 -0.731 0.000 1.908 467 A HA -0.161 4.158 4.320 -0.001 0.000 0.218 467 A C 2.236 179.494 177.584 -0.545 0.000 1.181 467 A CA 1.685 53.118 52.037 -1.007 0.000 0.627 467 A CB -0.458 17.670 19.000 -1.453 0.000 0.818 467 A HN 0.454 nan 8.150 nan 0.000 0.445 468 K N -0.939 119.154 120.400 -0.510 0.000 2.026 468 K HA -0.111 4.209 4.320 -0.001 0.000 0.208 468 K C 2.139 178.203 176.600 -0.894 0.000 1.048 468 K CA 1.792 57.650 56.287 -0.715 0.000 0.929 468 K CB -0.507 31.598 32.500 -0.659 0.000 0.713 468 K HN 0.485 nan 8.250 nan 0.000 0.439 469 T N 2.072 116.385 114.554 -0.402 0.000 2.665 469 T HA -0.146 4.203 4.350 -0.001 0.000 0.268 469 T C 1.872 176.641 174.700 0.115 0.000 1.035 469 T CA 1.286 63.377 62.100 -0.015 0.000 1.151 469 T CB -0.249 68.727 68.868 0.180 0.000 0.862 469 T HN 0.108 nan 8.240 nan 0.000 0.438 470 L N 0.647 121.931 121.223 0.102 0.000 2.093 470 L HA -0.056 4.283 4.340 -0.001 0.000 0.208 470 L C 2.888 179.923 176.870 0.276 0.000 1.085 470 L CA 1.089 56.081 54.840 0.254 0.000 0.755 470 L CB -0.512 41.752 42.059 0.341 0.000 0.904 470 L HN 0.163 nan 8.230 nan 0.000 0.435 471 E N -0.368 119.966 120.200 0.223 0.000 2.106 471 E HA -0.195 4.155 4.350 -0.001 0.000 0.192 471 E C 2.231 179.046 176.600 0.358 0.000 0.984 471 E CA 1.287 57.887 56.400 0.334 0.000 0.806 471 E CB -0.200 29.702 29.700 0.336 0.000 0.750 471 E HN 0.486 nan 8.360 nan 0.000 0.458 472 Y N 0.762 121.140 120.300 0.130 0.000 2.200 472 Y HA -0.034 4.516 4.550 -0.001 0.000 0.290 472 Y C 2.488 178.463 175.900 0.125 0.000 1.137 472 Y CA 0.309 58.399 58.100 -0.017 0.000 1.163 472 Y CB -1.313 36.877 38.460 -0.451 0.000 0.988 472 Y HN -0.006 nan 8.280 nan 0.000 0.518 473 A N -0.484 122.593 122.820 0.429 0.000 1.940 473 A HA -0.269 4.050 4.320 -0.001 0.000 0.219 473 A C 2.176 179.848 177.584 0.147 0.000 1.176 473 A CA 1.802 54.081 52.037 0.404 0.000 0.631 473 A CB -1.343 17.971 19.000 0.523 0.000 0.814 473 A HN 0.537 nan 8.150 nan 0.000 0.446 474 Y N 0.474 120.763 120.300 -0.018 0.000 2.184 474 Y HA 0.028 4.577 4.550 -0.001 0.000 0.290 474 Y C 2.598 178.504 175.900 0.011 0.000 1.129 474 Y CA 1.077 59.051 58.100 -0.209 0.000 1.144 474 Y CB -0.670 37.793 38.460 0.006 0.000 0.995 474 Y HN 0.285 nan 8.280 nan 0.000 0.513 475 A N 0.388 123.141 122.820 -0.112 0.000 1.908 475 A HA -0.209 4.111 4.320 -0.001 0.000 0.218 475 A C 1.934 179.420 177.584 -0.163 0.000 1.181 475 A CA 2.091 53.988 52.037 -0.233 0.000 0.627 475 A CB -0.892 18.075 19.000 -0.055 0.000 0.818 475 A HN 0.569 nan 8.150 nan 0.000 0.445 476 D N -1.561 118.854 120.400 0.025 0.000 2.117 476 D HA -0.172 4.467 4.640 -0.001 0.000 0.197 476 D C 1.566 177.888 176.300 0.037 0.000 0.987 476 D CA 1.272 55.373 54.000 0.169 0.000 0.829 476 D CB -0.476 40.502 40.800 0.297 0.000 0.961 476 D HN 0.774 nan 8.370 nan 0.000 0.460 477 W N 1.401 122.569 121.300 -0.220 0.000 2.338 477 W HA -0.284 4.376 4.660 -0.000 0.000 0.304 477 W C 2.311 178.659 176.519 -0.285 0.000 1.212 477 W CA 1.325 58.528 57.345 -0.238 0.000 1.264 477 W CB -0.492 28.781 29.460 -0.311 0.000 1.142 477 W HN -0.040 nan 8.180 nan 0.000 0.512 478 C N 0.446 119.558 119.300 -0.314 0.000 2.413 478 C HA -0.234 4.225 4.460 -0.001 0.000 0.277 478 C C 2.719 177.380 174.990 -0.547 0.000 1.228 478 C CA 1.453 60.154 59.018 -0.530 0.000 1.731 478 C CB -1.516 25.948 27.740 -0.460 0.000 2.042 478 C HN 0.395 nan 8.230 nan 0.000 0.468 479 I N 1.411 121.686 120.570 -0.491 0.000 2.208 479 I HA -0.262 3.908 4.170 -0.001 0.000 0.245 479 I C 2.756 178.539 176.117 -0.557 0.000 1.097 479 I CA 1.698 62.663 61.300 -0.559 0.000 1.363 479 I CB -0.619 36.890 38.000 -0.817 0.000 1.051 479 I HN 0.318 nan 8.210 nan 0.000 0.413 480 A N 0.782 123.231 122.820 -0.617 0.000 1.883 480 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 480 A C 2.412 179.527 177.584 -0.782 0.000 1.186 480 A CA 1.451 52.998 52.037 -0.816 0.000 0.624 480 A CB -0.518 17.620 19.000 -1.436 0.000 0.822 480 A HN 0.269 nan 8.150 nan 0.000 0.444 481 R N -1.802 118.220 120.500 -0.796 0.000 2.091 481 R HA -0.147 4.192 4.340 -0.001 0.000 0.238 481 R C 1.978 178.104 176.300 -0.290 0.000 1.136 481 R CA 1.604 57.389 56.100 -0.525 0.000 0.959 481 R CB -0.929 28.920 30.300 -0.751 0.000 0.856 481 R HN 0.630 nan 8.270 nan 0.000 0.437 482 F N 1.318 120.987 119.950 -0.469 0.000 2.084 482 F HA -0.127 4.400 4.527 -0.001 0.000 0.296 482 F C 2.368 177.943 175.800 -0.374 0.000 1.111 482 F CA 1.317 59.059 58.000 -0.430 0.000 1.224 482 F CB -0.518 38.168 39.000 -0.523 0.000 0.991 482 F HN 0.015 nan 8.300 nan 0.000 0.471 483 A N -0.106 122.515 122.820 -0.330 0.000 1.883 483 A HA -0.269 4.051 4.320 -0.001 0.000 0.217 483 A C 2.218 179.640 177.584 -0.270 0.000 1.186 483 A CA 1.904 53.736 52.037 -0.341 0.000 0.624 483 A CB -1.168 17.678 19.000 -0.257 0.000 0.822 483 A HN 0.570 nan 8.150 nan 0.000 0.444 484 E N 0.328 120.407 120.200 -0.201 0.000 2.070 484 E HA -0.230 4.120 4.350 -0.001 0.000 0.197 484 E C 2.190 178.729 176.600 -0.101 0.000 1.004 484 E CA 1.970 58.319 56.400 -0.084 0.000 0.805 484 E CB -0.179 29.538 29.700 0.027 0.000 0.744 484 E HN 0.743 nan 8.360 nan 0.000 0.451 485 S N 0.184 115.797 115.700 -0.145 0.000 2.419 485 S HA -0.107 4.363 4.470 -0.001 0.000 0.233 485 S C 1.902 176.422 174.600 -0.132 0.000 1.016 485 S CA 0.857 58.999 58.200 -0.097 0.000 0.974 485 S CB -0.363 62.813 63.200 -0.040 0.000 0.786 485 S HN 0.347 nan 8.310 nan 0.000 0.492 486 L N 0.864 121.922 121.223 -0.274 0.000 2.599 486 L HA 0.286 4.625 4.340 -0.001 0.000 0.230 486 L C 1.913 178.693 176.870 -0.151 0.000 1.141 486 L CA 0.397 55.084 54.840 -0.254 0.000 0.877 486 L CB -0.790 41.005 42.059 -0.440 0.000 1.009 486 L HN 0.627 nan 8.230 nan 0.000 0.447 487 G N 0.622 109.354 108.800 -0.114 0.000 2.141 487 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.242 487 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.242 487 G C 0.289 175.149 174.900 -0.067 0.000 0.982 487 G CA -0.167 44.894 45.100 -0.066 0.000 0.662 487 G HN 0.380 nan 8.290 nan 0.000 0.527 488 K N 0.313 120.653 120.400 -0.099 0.000 2.222 488 K HA 0.333 4.653 4.320 -0.001 0.000 0.243 488 K C 1.323 177.895 176.600 -0.046 0.000 1.160 488 K CA -0.321 55.918 56.287 -0.080 0.000 1.090 488 K CB 0.770 33.199 32.500 -0.118 0.000 1.694 488 K HN 0.221 nan 8.250 nan 0.000 0.361 489 Q N 1.281 121.074 119.800 -0.012 0.000 2.172 489 Q HA -0.183 4.157 4.340 -0.001 0.000 0.200 489 Q C 1.301 177.328 176.000 0.045 0.000 0.964 489 Q CA 1.745 57.564 55.803 0.027 0.000 0.855 489 Q CB 0.081 28.841 28.738 0.038 0.000 0.918 489 Q HN 0.536 nan 8.270 nan 0.000 0.444 490 D N -0.560 119.857 120.400 0.028 0.000 2.084 490 D HA -0.128 4.511 4.640 -0.001 0.000 0.196 490 D C 1.681 178.012 176.300 0.052 0.000 0.985 490 D CA 1.418 55.442 54.000 0.039 0.000 0.826 490 D CB -0.137 40.677 40.800 0.023 0.000 0.978 490 D HN 0.377 nan 8.370 nan 0.000 0.456 491 I N 0.592 121.184 120.570 0.036 0.000 2.163 491 I HA -0.281 3.889 4.170 -0.001 0.000 0.243 491 I C 2.532 178.704 176.117 0.091 0.000 1.085 491 I CA 1.135 62.477 61.300 0.069 0.000 1.347 491 I CB -0.464 37.539 38.000 0.005 0.000 1.044 491 I HN 0.071 nan 8.210 nan 0.000 0.408 492 A N 0.730 123.553 122.820 0.005 0.000 1.883 492 A HA -0.268 4.052 4.320 -0.001 0.000 0.217 492 A C 1.952 179.581 177.584 0.075 0.000 1.186 492 A CA 2.299 54.301 52.037 -0.059 0.000 0.624 492 A CB -0.670 18.311 19.000 -0.032 0.000 0.822 492 A HN 0.372 nan 8.150 nan 0.000 0.444 493 D N -0.519 119.989 120.400 0.179 0.000 2.144 493 D HA -0.140 4.500 4.640 -0.001 0.000 0.199 493 D C 2.183 178.588 176.300 0.175 0.000 0.984 493 D CA 1.406 55.552 54.000 0.243 0.000 0.834 493 D CB -0.459 40.443 40.800 0.168 0.000 0.955 493 D HN 0.647 nan 8.370 nan 0.000 0.465 494 Q N -0.715 119.150 119.800 0.108 0.000 2.084 494 Q HA -0.166 4.174 4.340 -0.001 0.000 0.202 494 Q C 1.931 177.893 176.000 -0.064 0.000 0.978 494 Q CA 1.132 56.944 55.803 0.016 0.000 0.844 494 Q CB -0.147 28.582 28.738 -0.014 0.000 0.898 494 Q HN 0.451 nan 8.270 nan 0.000 0.426 495 Y N -1.640 118.634 120.300 -0.042 0.000 2.286 495 Y HA -0.171 4.378 4.550 -0.001 0.000 0.293 495 Y C 1.773 177.650 175.900 -0.038 0.000 1.124 495 Y CA 0.770 58.820 58.100 -0.083 0.000 1.178 495 Y CB 0.061 38.401 38.460 -0.201 0.000 1.010 495 Y HN 0.121 nan 8.280 nan 0.000 0.536 496 Y N 0.060 120.447 120.300 0.145 0.000 2.333 496 Y HA -0.272 4.277 4.550 -0.000 0.000 0.290 496 Y C 2.685 178.644 175.900 0.099 0.000 1.144 496 Y CA 1.485 59.654 58.100 0.115 0.000 1.228 496 Y CB -1.157 37.450 38.460 0.245 0.000 0.985 496 Y HN 0.311 nan 8.280 nan 0.000 0.542 497 Q N 0.762 120.700 119.800 0.230 0.000 2.364 497 Q HA -0.131 4.209 4.340 -0.001 0.000 0.207 497 Q C 1.817 177.864 176.000 0.078 0.000 0.970 497 Q CA 1.782 57.669 55.803 0.140 0.000 0.888 497 Q CB -0.708 28.073 28.738 0.071 0.000 0.951 497 Q HN 0.594 nan 8.270 nan 0.000 0.469 498 K N -0.691 119.749 120.400 0.066 0.000 2.352 498 K HA 0.389 4.709 4.320 -0.001 0.000 0.194 498 K C 2.481 179.182 176.600 0.168 0.000 1.038 498 K CA 0.503 56.831 56.287 0.067 0.000 1.023 498 K CB 0.296 32.834 32.500 0.063 0.000 0.840 498 K HN 0.379 nan 8.250 nan 0.000 0.519 499 A N 2.707 125.628 122.820 0.168 0.000 1.948 499 A HA -0.113 4.206 4.320 -0.001 0.000 0.220 499 A C -0.735 177.089 177.584 0.399 0.000 1.177 499 A CA 1.334 53.516 52.037 0.240 0.000 0.636 499 A CB -1.202 17.837 19.000 0.064 0.000 0.815 499 A HN 0.159 nan 8.150 nan 0.000 0.449 500 P HA 0.082 nan 4.420 nan 0.000 0.257 500 P C 0.303 177.483 177.300 -0.199 0.000 1.325 500 P CA 0.033 63.129 63.100 -0.006 0.000 0.850 500 P CB -0.026 31.683 31.700 0.015 0.000 1.324 501 N N 0.077 118.809 118.700 0.052 0.000 2.430 501 N HA -0.179 4.560 4.740 -0.001 0.000 0.186 501 N C 1.513 177.079 175.510 0.094 0.000 1.032 501 N CA 0.947 54.027 53.050 0.050 0.000 0.893 501 N CB -0.879 37.672 38.487 0.105 0.000 0.957 501 N HN 0.425 nan 8.380 nan 0.000 0.442 502 Y N 0.260 120.679 120.300 0.199 0.000 2.315 502 Y HA -0.051 4.498 4.550 -0.001 0.000 0.288 502 Y C 1.926 177.920 175.900 0.157 0.000 1.154 502 Y CA 0.926 59.134 58.100 0.180 0.000 1.229 502 Y CB -0.629 37.916 38.460 0.142 0.000 0.980 502 Y HN -0.086 nan 8.280 nan 0.000 0.540 503 R N 0.550 120.756 120.500 -0.492 0.000 2.148 503 R HA -0.098 4.242 4.340 -0.001 0.000 0.227 503 R C 1.404 177.714 176.300 0.015 0.000 1.103 503 R CA 1.066 57.012 56.100 -0.257 0.000 0.983 503 R CB -0.373 29.694 30.300 -0.388 0.000 0.874 503 R HN 0.420 nan 8.270 nan 0.000 0.451 504 N N 0.575 119.277 118.700 0.004 0.000 2.520 504 N HA -0.072 4.668 4.740 -0.001 0.000 0.185 504 N C 1.164 176.665 175.510 -0.016 0.000 1.068 504 N CA 0.950 54.002 53.050 0.004 0.000 0.911 504 N CB 0.221 38.723 38.487 0.026 0.000 0.961 504 N HN 0.268 nan 8.380 nan 0.000 0.446 505 L N -0.969 120.342 121.223 0.146 0.000 2.808 505 L HA 0.202 4.542 4.340 -0.001 0.000 0.246 505 L C -0.190 176.988 176.870 0.513 0.000 1.153 505 L CA -0.356 54.635 54.840 0.252 0.000 0.956 505 L CB 0.104 42.266 42.059 0.171 0.000 1.270 505 L HN 0.008 nan 8.230 nan 0.000 0.528 506 Y N 0.626 121.124 120.300 0.330 0.000 2.480 506 Y HA 0.053 4.602 4.550 -0.001 0.000 0.341 506 Y C -0.296 175.774 175.900 0.282 0.000 1.031 506 Y CA -0.278 57.983 58.100 0.268 0.000 1.295 506 Y CB 0.254 38.806 38.460 0.153 0.000 1.162 506 Y HN -0.031 nan 8.280 nan 0.000 0.523 507 Y N 10.583 130.595 120.300 -0.479 0.000 2.595 507 Y HA 0.296 4.845 4.550 -0.000 0.000 0.347 507 Y C -1.819 173.687 175.900 -0.657 0.000 1.025 507 Y CA -3.717 53.899 58.100 -0.807 0.000 1.295 507 Y CB 0.585 38.381 38.460 -1.107 0.000 1.147 507 Y HN 0.573 nan 8.280 nan 0.000 0.515 508 P HA -0.195 nan 4.420 nan 0.000 0.216 508 P C 1.618 178.757 177.300 -0.268 0.000 1.153 508 P CA 1.672 64.743 63.100 -0.048 0.000 0.858 508 P CB 0.419 32.178 31.700 0.099 0.000 0.789 509 E N -1.653 118.295 120.200 -0.420 0.000 2.160 509 E HA -0.212 4.138 4.350 -0.001 0.000 0.195 509 E C 1.832 177.861 176.600 -0.950 0.000 0.991 509 E CA 1.251 57.240 56.400 -0.684 0.000 0.810 509 E CB -1.049 28.122 29.700 -0.881 0.000 0.742 509 E HN 0.594 nan 8.360 nan 0.000 0.466 510 H N -2.419 116.131 119.070 -0.867 0.000 2.750 510 H HA 0.330 4.885 4.556 -0.000 0.000 0.263 510 H C 1.791 176.803 175.328 -0.527 0.000 0.964 510 H CA 0.635 56.168 56.048 -0.859 0.000 1.205 510 H CB 1.281 29.988 29.762 -1.758 0.000 1.454 510 H HN 0.455 nan 8.280 nan 0.000 0.503 511 G N 0.911 109.388 108.800 -0.539 0.000 2.147 511 G HA2 -0.257 3.703 3.960 -0.001 0.000 0.244 511 G HA3 -0.257 3.703 3.960 -0.001 0.000 0.244 511 G C -0.328 174.052 174.900 -0.867 0.000 1.005 511 G CA 0.205 44.955 45.100 -0.583 0.000 0.713 511 G HN 0.251 nan 8.290 nan 0.000 0.515 512 F N -1.104 118.438 119.950 -0.680 0.000 2.643 512 F HA 0.735 5.262 4.527 -0.000 0.000 0.314 512 F C 0.537 176.224 175.800 -0.189 0.000 1.096 512 F CA -1.416 56.416 58.000 -0.281 0.000 0.953 512 F CB 1.152 40.219 39.000 0.110 0.000 1.345 512 F HN -0.099 nan 8.300 nan 0.000 0.468 513 M N 1.851 121.678 119.600 0.379 0.000 2.248 513 M HA 0.009 4.489 4.480 -0.001 0.000 0.337 513 M C -0.170 176.610 176.300 0.800 0.000 1.121 513 M CA 0.571 56.181 55.300 0.516 0.000 1.155 513 M CB 0.400 33.339 32.600 0.565 0.000 1.514 513 M HN 0.806 nan 8.290 nan 0.000 0.452 514 W N 0.392 121.958 121.300 0.444 0.000 4.081 514 W HA 0.409 5.069 4.660 -0.000 0.000 0.400 514 W C -1.230 175.454 176.519 0.274 0.000 1.330 514 W CA -0.346 57.279 57.345 0.468 0.000 1.065 514 W CB 1.589 31.304 29.460 0.425 0.000 1.781 514 W HN 0.456 nan 8.180 nan 0.000 0.633 515 T N 1.694 116.109 114.554 -0.230 0.000 2.923 515 T HA 0.458 4.808 4.350 -0.001 0.000 0.311 515 T C -1.484 173.053 174.700 -0.272 0.000 1.183 515 T CA -0.477 61.389 62.100 -0.390 0.000 1.020 515 T CB 1.843 70.291 68.868 -0.700 0.000 1.165 515 T HN 0.280 nan 8.240 nan 0.000 0.482 516 K N 2.176 122.354 120.400 -0.369 0.000 2.395 516 K HA 0.541 4.861 4.320 -0.001 0.000 0.247 516 K C -0.616 175.897 176.600 -0.144 0.000 0.973 516 K CA -1.049 55.008 56.287 -0.382 0.000 0.828 516 K CB 1.436 33.463 32.500 -0.787 0.000 1.272 516 K HN 0.779 nan 8.250 nan 0.000 0.439 517 D N 0.175 120.510 120.400 -0.107 0.000 2.440 517 D HA 0.128 4.767 4.640 -0.001 0.000 0.269 517 D C 0.785 177.045 176.300 -0.066 0.000 1.249 517 D CA -0.439 53.507 54.000 -0.091 0.000 1.055 517 D CB 0.239 40.984 40.800 -0.092 0.000 1.104 517 D HN 0.428 nan 8.370 nan 0.000 0.561 518 A N -1.120 121.605 122.820 -0.158 0.000 2.067 518 A HA 0.117 4.437 4.320 -0.001 0.000 0.219 518 A C 2.144 179.690 177.584 -0.065 0.000 1.158 518 A CA 2.106 54.034 52.037 -0.182 0.000 0.661 518 A CB -1.263 17.604 19.000 -0.222 0.000 0.801 518 A HN 0.666 nan 8.150 nan 0.000 0.452 519 K N -1.225 119.144 120.400 -0.051 0.000 2.459 519 K HA 0.363 4.683 4.320 -0.001 0.000 0.193 519 K C 1.497 178.072 176.600 -0.040 0.000 1.030 519 K CA 1.237 57.503 56.287 -0.035 0.000 1.026 519 K CB -1.110 31.370 32.500 -0.033 0.000 0.809 519 K HN 1.859 nan 8.250 nan 0.000 0.504 520 G N 0.389 109.161 108.800 -0.047 0.000 2.131 520 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.223 520 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.223 520 G C -0.298 174.431 174.900 -0.284 0.000 0.990 520 G CA -0.030 44.988 45.100 -0.136 0.000 0.671 520 G HN 0.660 nan 8.290 nan 0.000 0.521 521 N N -0.020 118.568 118.700 -0.187 0.000 2.444 521 N HA 0.451 5.190 4.740 -0.001 0.000 0.271 521 N C 0.154 175.583 175.510 -0.135 0.000 1.069 521 N CA -0.635 52.335 53.050 -0.133 0.000 0.965 521 N CB 0.540 39.018 38.487 -0.015 0.000 1.092 521 N HN 0.371 nan 8.380 nan 0.000 0.476 522 W N 1.676 122.937 121.300 -0.065 0.000 2.257 522 W HA 0.038 4.697 4.660 -0.000 0.000 0.337 522 W C 1.279 177.870 176.519 0.121 0.000 1.321 522 W CA -0.502 56.811 57.345 -0.054 0.000 1.267 522 W CB 0.314 29.674 29.460 -0.167 0.000 1.187 522 W HN 0.326 nan 8.180 nan 0.000 0.565 523 R N 2.551 123.287 120.500 0.394 0.000 2.585 523 R HA 0.170 4.509 4.340 -0.001 0.000 0.275 523 R C 0.347 177.039 176.300 0.653 0.000 1.018 523 R CA 0.484 56.807 56.100 0.371 0.000 1.072 523 R CB 0.009 30.349 30.300 0.066 0.000 0.953 523 R HN 0.645 nan 8.270 nan 0.000 0.419 524 D N 2.875 123.524 120.400 0.415 0.000 2.368 524 D HA 0.119 4.759 4.640 -0.001 0.000 0.240 524 D C 0.007 176.523 176.300 0.360 0.000 1.169 524 D CA -0.198 54.013 54.000 0.351 0.000 0.906 524 D CB 0.303 41.236 40.800 0.222 0.000 1.187 524 D HN 0.681 nan 8.370 nan 0.000 0.435 525 R N -0.669 119.965 120.500 0.223 0.000 3.201 525 R HA -0.151 4.188 4.340 -0.001 0.000 0.254 525 R C -0.262 176.042 176.300 0.006 0.000 0.978 525 R CA 0.052 56.219 56.100 0.112 0.000 0.661 525 R CB -2.664 27.704 30.300 0.113 0.000 1.170 525 R HN 0.710 nan 8.270 nan 0.000 0.430 526 F N 1.633 121.335 119.950 -0.415 0.000 2.635 526 F HA 0.067 4.593 4.527 -0.001 0.000 0.379 526 F C 0.565 175.894 175.800 -0.784 0.000 1.094 526 F CA 0.520 57.821 58.000 -1.166 0.000 1.300 526 F CB 0.420 38.414 39.000 -1.676 0.000 1.035 526 F HN 0.264 nan 8.300 nan 0.000 0.581 527 D N 4.689 123.931 120.400 -1.930 0.000 2.470 527 D HA 0.307 4.947 4.640 -0.001 0.000 0.233 527 D C 0.179 175.719 176.300 -1.267 0.000 1.372 527 D CA 0.049 53.321 54.000 -1.214 0.000 0.994 527 D CB 1.463 41.982 40.800 -0.467 0.000 1.377 527 D HN 0.668 nan 8.370 nan 0.000 0.586 528 A N 2.445 124.492 122.820 -1.287 0.000 2.125 528 A HA -0.058 4.262 4.320 -0.001 0.000 0.219 528 A C 1.587 178.884 177.584 -0.477 0.000 1.156 528 A CA 1.951 53.431 52.037 -0.928 0.000 0.671 528 A CB -0.321 18.027 19.000 -1.086 0.000 0.794 528 A HN 0.588 nan 8.150 nan 0.000 0.459 529 T N -2.976 111.363 114.554 -0.358 0.000 3.092 529 T HA 0.228 4.577 4.350 -0.001 0.000 0.258 529 T C 0.312 175.034 174.700 0.036 0.000 1.031 529 T CA 0.048 62.051 62.100 -0.161 0.000 0.925 529 T CB -0.151 68.595 68.868 -0.203 0.000 1.036 529 T HN 0.477 nan 8.240 nan 0.000 0.544 530 E N 1.191 121.384 120.200 -0.012 0.000 2.217 530 E HA 0.204 4.554 4.350 -0.001 0.000 0.279 530 E C -0.815 175.932 176.600 0.245 0.000 1.068 530 E CA -0.811 55.672 56.400 0.138 0.000 0.882 530 E CB 0.329 30.101 29.700 0.119 0.000 1.039 530 E HN 0.410 nan 8.360 nan 0.000 0.418 531 W N 3.400 124.732 121.300 0.054 0.000 2.086 531 W HA 0.418 5.078 4.660 -0.001 0.000 0.355 531 W C 1.159 177.738 176.519 0.099 0.000 1.313 531 W CA 1.143 58.547 57.345 0.099 0.000 1.358 531 W CB 0.358 29.864 29.460 0.076 0.000 1.166 531 W HN 0.893 nan 8.180 nan 0.000 0.630 532 G N 0.201 109.193 108.800 0.320 0.000 2.642 532 G HA2 0.279 4.239 3.960 -0.001 0.000 0.231 532 G HA3 0.279 4.239 3.960 -0.001 0.000 0.231 532 G C 0.671 175.571 174.900 0.001 0.000 1.338 532 G CA 0.299 45.496 45.100 0.161 0.000 0.883 532 G HN 1.890 nan 8.290 nan 0.000 0.570 533 G N -0.470 108.273 108.800 -0.095 0.000 2.634 533 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.318 533 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.318 533 G C -0.174 174.240 174.900 -0.810 0.000 1.207 533 G CA 1.966 46.794 45.100 -0.453 0.000 0.987 533 G HN 1.551 nan 8.290 nan 0.000 0.547 534 P HA 0.202 nan 4.420 nan 0.000 0.237 534 P C 0.213 176.876 177.300 -1.062 0.000 1.178 534 P CA 0.868 63.278 63.100 -1.150 0.000 0.766 534 P CB -0.038 30.855 31.700 -1.345 0.000 0.876 535 F N -0.795 118.895 119.950 -0.434 0.000 2.541 535 F HA 0.613 5.140 4.527 -0.001 0.000 0.331 535 F C 0.892 176.506 175.800 -0.310 0.000 1.057 535 F CA -0.688 57.038 58.000 -0.456 0.000 0.975 535 F CB 1.426 40.237 39.000 -0.315 0.000 1.246 535 F HN -0.404 nan 8.300 nan 0.000 0.484 536 T N 0.275 114.785 114.554 -0.072 0.000 2.912 536 T HA 0.343 4.692 4.350 -0.001 0.000 0.299 536 T C -0.891 173.961 174.700 0.253 0.000 1.052 536 T CA -0.468 61.659 62.100 0.046 0.000 0.996 536 T CB 0.790 69.605 68.868 -0.088 0.000 1.070 536 T HN 0.629 nan 8.240 nan 0.000 0.465 537 E N 0.993 121.291 120.200 0.163 0.000 2.360 537 E HA -0.158 4.191 4.350 -0.001 0.000 0.238 537 E C 0.209 176.630 176.600 -0.298 0.000 1.186 537 E CA 1.476 57.964 56.400 0.146 0.000 0.719 537 E CB -1.701 28.150 29.700 0.252 0.000 1.236 537 E HN 1.384 nan 8.360 nan 0.000 0.386 538 G N -1.463 106.694 108.800 -1.072 0.000 2.359 538 G HA2 0.367 4.327 3.960 -0.001 0.000 0.293 538 G HA3 0.367 4.327 3.960 -0.001 0.000 0.293 538 G C -0.624 173.713 174.900 -0.938 0.000 1.300 538 G CA -0.023 44.234 45.100 -1.404 0.000 0.888 538 G HN 0.641 nan 8.290 nan 0.000 0.541 539 S N -1.595 113.887 115.700 -0.363 0.000 2.806 539 S HA 0.747 5.217 4.470 -0.001 0.000 0.315 539 S C 1.455 175.738 174.600 -0.528 0.000 1.127 539 S CA 0.723 58.644 58.200 -0.465 0.000 0.918 539 S CB 1.396 64.442 63.200 -0.256 0.000 1.240 539 S HN 1.785 nan 8.310 nan 0.000 0.552 540 S N -0.260 114.899 115.700 -0.900 0.000 2.400 540 S HA -0.136 4.334 4.470 -0.001 0.000 0.232 540 S C 1.397 176.002 174.600 0.009 0.000 1.025 540 S CA 1.445 59.341 58.200 -0.507 0.000 0.993 540 S CB -0.786 62.354 63.200 -0.099 0.000 0.808 540 S HN 0.717 nan 8.310 nan 0.000 0.478 541 W N 2.046 123.182 121.300 -0.273 0.000 2.321 541 W HA -0.216 4.443 4.660 -0.001 0.000 0.306 541 W C 1.894 178.390 176.519 -0.038 0.000 1.217 541 W CA 2.075 59.331 57.345 -0.149 0.000 1.257 541 W CB -0.677 28.559 29.460 -0.373 0.000 1.145 541 W HN 0.587 nan 8.180 nan 0.000 0.509 542 H N -2.350 116.844 119.070 0.208 0.000 2.355 542 H HA -0.107 4.449 4.556 -0.000 0.000 0.303 542 H C 1.983 177.365 175.328 0.091 0.000 1.061 542 H CA 1.630 57.733 56.048 0.091 0.000 1.368 542 H CB -1.330 28.363 29.762 -0.115 0.000 1.412 542 H HN 0.222 nan 8.280 nan 0.000 0.523 543 W N 1.748 123.174 121.300 0.210 0.000 2.595 543 W HA -0.073 4.587 4.660 -0.001 0.000 0.257 543 W C 2.292 178.929 176.519 0.196 0.000 1.267 543 W CA 0.937 58.425 57.345 0.238 0.000 1.300 543 W CB -0.192 29.449 29.460 0.302 0.000 1.120 543 W HN 0.043 nan 8.180 nan 0.000 0.618 544 T N -0.911 113.805 114.554 0.270 0.000 2.897 544 T HA -0.234 4.116 4.350 -0.001 0.000 0.271 544 T C 0.727 175.288 174.700 -0.232 0.000 1.084 544 T CA 1.324 63.434 62.100 0.017 0.000 1.123 544 T CB -0.449 68.341 68.868 -0.130 0.000 0.865 544 T HN 0.262 nan 8.240 nan 0.000 0.496 545 W N 0.969 122.303 121.300 0.056 0.000 3.256 545 W HA 0.350 5.009 4.660 -0.001 0.000 0.269 545 W C 1.465 178.038 176.519 0.090 0.000 1.310 545 W CA -0.508 56.843 57.345 0.010 0.000 1.673 545 W CB 0.105 29.512 29.460 -0.089 0.000 1.115 545 W HN -0.011 nan 8.180 nan 0.000 0.686 546 S N 1.530 117.340 115.700 0.184 0.000 4.183 546 S HA 0.290 4.759 4.470 -0.001 0.000 0.195 546 S C -0.177 174.130 174.600 -0.489 0.000 1.421 546 S CA -0.090 58.062 58.200 -0.080 0.000 0.920 546 S CB -0.642 62.675 63.200 0.195 0.000 1.525 546 S HN -0.070 nan 8.310 nan 0.000 0.447 547 V N 5.613 125.154 119.914 -0.622 0.000 2.546 547 V HA 0.253 4.373 4.120 -0.001 0.000 0.260 547 V C 0.124 175.798 176.094 -0.701 0.000 0.933 547 V CA -0.549 61.299 62.300 -0.754 0.000 0.994 547 V CB -0.306 31.017 31.823 -0.834 0.000 1.160 547 V HN 0.742 nan 8.190 nan 0.000 0.523 548 F N 0.028 119.787 119.950 -0.318 0.000 2.325 548 F HA -0.053 4.474 4.527 -0.001 0.000 0.299 548 F C 2.397 178.034 175.800 -0.272 0.000 1.090 548 F CA 1.109 58.873 58.000 -0.393 0.000 1.392 548 F CB -0.453 38.267 39.000 -0.465 0.000 1.053 548 F HN 0.606 nan 8.300 nan 0.000 0.521 549 H N -1.296 117.617 119.070 -0.262 0.000 2.555 549 H HA 0.086 4.642 4.556 -0.000 0.000 0.269 549 H C -0.293 174.880 175.328 -0.258 0.000 0.988 549 H CA 0.972 56.745 56.048 -0.458 0.000 1.178 549 H CB -0.268 28.899 29.762 -0.992 0.000 1.373 549 H HN 0.242 nan 8.280 nan 0.000 0.588 550 D N 0.114 120.147 120.400 -0.611 0.000 3.220 550 D HA 0.205 4.845 4.640 -0.001 0.000 0.309 550 D C -2.085 173.989 176.300 -0.376 0.000 1.276 550 D CA -1.787 51.953 54.000 -0.433 0.000 0.736 550 D CB 0.855 41.403 40.800 -0.420 0.000 1.304 550 D HN 0.003 nan 8.370 nan 0.000 0.582 551 P HA -0.159 nan 4.420 nan 0.000 0.216 551 P C 1.294 178.506 177.300 -0.146 0.000 1.153 551 P CA 1.035 63.971 63.100 -0.272 0.000 0.858 551 P CB 0.532 31.965 31.700 -0.445 0.000 0.789 552 E N -0.110 120.050 120.200 -0.067 0.000 2.058 552 E HA -0.147 4.202 4.350 -0.001 0.000 0.194 552 E C 2.183 178.787 176.600 0.007 0.000 0.997 552 E CA 2.069 58.486 56.400 0.028 0.000 0.801 552 E CB -1.427 28.311 29.700 0.063 0.000 0.746 552 E HN 0.146 nan 8.360 nan 0.000 0.450 553 G N 0.371 109.166 108.800 -0.008 0.000 2.408 553 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.217 553 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.217 553 G C 1.504 176.424 174.900 0.034 0.000 1.150 553 G CA 0.828 45.972 45.100 0.075 0.000 0.776 553 G HN 0.345 nan 8.290 nan 0.000 0.542 554 L N 1.962 123.117 121.223 -0.113 0.000 2.046 554 L HA -0.053 4.287 4.340 -0.001 0.000 0.208 554 L C 3.119 179.876 176.870 -0.188 0.000 1.077 554 L CA 2.525 57.251 54.840 -0.189 0.000 0.747 554 L CB -0.713 41.176 42.059 -0.284 0.000 0.896 554 L HN 0.335 nan 8.230 nan 0.000 0.432 555 S N -1.413 114.224 115.700 -0.104 0.000 2.382 555 S HA -0.217 4.253 4.470 -0.001 0.000 0.228 555 S C 1.792 176.350 174.600 -0.068 0.000 1.027 555 S CA 1.194 59.363 58.200 -0.052 0.000 0.991 555 S CB -0.686 62.568 63.200 0.090 0.000 0.823 555 S HN 0.626 nan 8.310 nan 0.000 0.469 556 E N 1.373 121.536 120.200 -0.062 0.000 2.058 556 E HA -0.109 4.240 4.350 -0.001 0.000 0.194 556 E C 2.115 178.625 176.600 -0.150 0.000 0.997 556 E CA 1.667 58.020 56.400 -0.078 0.000 0.801 556 E CB -0.476 29.196 29.700 -0.047 0.000 0.746 556 E HN 0.534 nan 8.360 nan 0.000 0.450 557 L N 0.131 121.197 121.223 -0.262 0.000 2.042 557 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 557 L C 2.527 179.120 176.870 -0.463 0.000 1.076 557 L CA 1.055 55.585 54.840 -0.518 0.000 0.749 557 L CB -0.305 41.136 42.059 -1.029 0.000 0.893 557 L HN 0.218 nan 8.230 nan 0.000 0.432 558 M N -1.107 118.283 119.600 -0.350 0.000 2.557 558 M HA 0.018 4.497 4.480 -0.001 0.000 0.259 558 M C 1.380 177.621 176.300 -0.098 0.000 1.086 558 M CA 1.138 56.327 55.300 -0.186 0.000 1.096 558 M CB 0.052 32.528 32.600 -0.206 0.000 1.424 558 M HN 0.508 nan 8.290 nan 0.000 0.488 559 G N 0.079 108.825 108.800 -0.090 0.000 2.192 559 G HA2 0.022 3.981 3.960 -0.001 0.000 0.193 559 G HA3 0.022 3.981 3.960 -0.001 0.000 0.193 559 G C 0.296 175.174 174.900 -0.037 0.000 0.999 559 G CA -0.355 44.714 45.100 -0.052 0.000 0.659 559 G HN 0.881 nan 8.290 nan 0.000 0.503 560 G N -1.835 106.948 108.800 -0.029 0.000 2.354 560 G HA2 0.218 4.178 3.960 -0.001 0.000 0.582 560 G HA3 0.218 4.178 3.960 -0.001 0.000 0.582 560 G C 0.138 175.097 174.900 0.097 0.000 1.316 560 G CA 0.377 45.473 45.100 -0.006 0.000 0.995 560 G HN 0.574 nan 8.290 nan 0.000 0.573 561 H N -0.151 118.914 119.070 -0.009 0.000 2.319 561 H HA -0.075 4.481 4.556 -0.001 0.000 0.299 561 H C 2.446 177.776 175.328 0.004 0.000 1.092 561 H CA 1.711 57.753 56.048 -0.010 0.000 1.302 561 H CB 0.366 30.134 29.762 0.010 0.000 1.373 561 H HN 0.585 nan 8.280 nan 0.000 0.497 562 E N -0.051 120.241 120.200 0.153 0.000 2.051 562 E HA -0.131 4.218 4.350 -0.001 0.000 0.192 562 E C -0.607 176.035 176.600 0.071 0.000 0.991 562 E CA 0.881 57.342 56.400 0.103 0.000 0.799 562 E CB -0.603 29.148 29.700 0.085 0.000 0.748 562 E HN 0.471 nan 8.360 nan 0.000 0.449 563 P HA -0.177 nan 4.420 nan 0.000 0.216 563 P C 1.539 178.851 177.300 0.020 0.000 1.153 563 P CA 1.220 64.333 63.100 0.020 0.000 0.848 563 P CB -0.092 31.603 31.700 -0.009 0.000 0.787 564 M N -1.101 118.513 119.600 0.023 0.000 2.117 564 M HA -0.149 4.331 4.480 -0.001 0.000 0.262 564 M C 1.877 178.203 176.300 0.043 0.000 1.065 564 M CA 1.885 57.209 55.300 0.041 0.000 1.114 564 M CB -0.590 32.026 32.600 0.026 0.000 1.361 564 M HN -0.179 nan 8.290 nan 0.000 0.408 565 I N 0.653 121.243 120.570 0.034 0.000 2.163 565 I HA -0.303 3.866 4.170 -0.001 0.000 0.243 565 I C 2.686 178.874 176.117 0.119 0.000 1.085 565 I CA 1.455 62.803 61.300 0.080 0.000 1.347 565 I CB -0.752 37.327 38.000 0.131 0.000 1.044 565 I HN 0.410 nan 8.210 nan 0.000 0.408 566 A N 0.817 123.693 122.820 0.093 0.000 1.908 566 A HA -0.232 4.088 4.320 -0.001 0.000 0.218 566 A C 2.393 180.020 177.584 0.073 0.000 1.181 566 A CA 1.747 53.837 52.037 0.088 0.000 0.627 566 A CB -0.598 18.441 19.000 0.065 0.000 0.818 566 A HN 0.359 nan 8.150 nan 0.000 0.445 567 R N -0.710 119.825 120.500 0.057 0.000 2.073 567 R HA 0.052 4.392 4.340 -0.001 0.000 0.229 567 R C 2.088 178.367 176.300 -0.035 0.000 1.120 567 R CA 1.210 57.340 56.100 0.050 0.000 0.967 567 R CB -0.486 29.864 30.300 0.084 0.000 0.862 567 R HN 0.492 nan 8.270 nan 0.000 0.436 568 L N 0.853 122.012 121.223 -0.107 0.000 2.012 568 L HA -0.228 4.112 4.340 -0.001 0.000 0.210 568 L C 1.828 178.640 176.870 -0.096 0.000 1.073 568 L CA 1.267 55.895 54.840 -0.354 0.000 0.748 568 L CB -0.519 41.208 42.059 -0.554 0.000 0.891 568 L HN 0.135 nan 8.230 nan 0.000 0.431 569 D N -0.271 120.224 120.400 0.159 0.000 2.133 569 D HA -0.197 4.443 4.640 -0.001 0.000 0.195 569 D C 2.391 178.753 176.300 0.102 0.000 0.997 569 D CA 1.823 55.963 54.000 0.233 0.000 0.840 569 D CB -0.172 40.763 40.800 0.225 0.000 0.947 569 D HN 0.386 nan 8.370 nan 0.000 0.452 570 S N -0.409 115.319 115.700 0.046 0.000 2.402 570 S HA -0.114 4.356 4.470 -0.001 0.000 0.229 570 S C 2.088 176.698 174.600 0.017 0.000 1.021 570 S CA 0.627 58.868 58.200 0.069 0.000 0.974 570 S CB -0.300 62.976 63.200 0.127 0.000 0.800 570 S HN 0.168 nan 8.310 nan 0.000 0.484 571 M N -0.083 119.397 119.600 -0.199 0.000 2.159 571 M HA 0.089 4.569 4.480 -0.001 0.000 0.263 571 M C 0.538 176.546 176.300 -0.487 0.000 1.063 571 M CA 1.501 56.551 55.300 -0.416 0.000 1.110 571 M CB -0.148 31.851 32.600 -1.002 0.000 1.374 571 M HN 0.402 nan 8.290 nan 0.000 0.411 572 F N -0.759 119.133 119.950 -0.096 0.000 2.653 572 F HA 0.302 4.829 4.527 -0.001 0.000 0.304 572 F C 0.888 176.687 175.800 -0.001 0.000 1.092 572 F CA -0.931 56.958 58.000 -0.184 0.000 1.279 572 F CB -1.381 37.188 39.000 -0.719 0.000 1.044 572 F HN -0.184 nan 8.300 nan 0.000 0.564 573 V N 1.222 121.234 119.914 0.163 0.000 2.694 573 V HA 0.465 4.584 4.120 -0.001 0.000 0.306 573 V C 0.820 177.022 176.094 0.180 0.000 1.054 573 V CA -0.398 62.012 62.300 0.184 0.000 1.161 573 V CB -0.334 31.562 31.823 0.121 0.000 0.916 573 V HN 0.246 nan 8.190 nan 0.000 0.490 574 A N 6.839 129.774 122.820 0.191 0.000 2.425 574 A HA 0.630 4.950 4.320 -0.001 0.000 0.242 574 A C -1.255 176.386 177.584 0.094 0.000 1.077 574 A CA -0.694 51.435 52.037 0.153 0.000 0.781 574 A CB -0.440 18.651 19.000 0.153 0.000 1.020 574 A HN 0.939 nan 8.150 nan 0.000 0.494 575 P HA 0.105 nan 4.420 nan 0.000 0.274 575 P C -0.755 176.553 177.300 0.012 0.000 1.231 575 P CA -0.591 62.540 63.100 0.052 0.000 0.790 575 P CB 0.448 32.186 31.700 0.063 0.000 0.951 576 N N 0.943 119.618 118.700 -0.041 0.000 2.430 576 N HA 0.067 4.807 4.740 -0.001 0.000 0.265 576 N C 0.671 176.088 175.510 -0.155 0.000 1.100 576 N CA 0.082 53.008 53.050 -0.207 0.000 0.961 576 N CB 0.184 38.422 38.487 -0.415 0.000 1.075 576 N HN 0.389 nan 8.380 nan 0.000 0.478 577 T N 0.701 115.203 114.554 -0.086 0.000 3.092 577 T HA 0.166 4.516 4.350 -0.001 0.000 0.258 577 T C 0.660 175.565 174.700 0.343 0.000 1.031 577 T CA -0.202 62.014 62.100 0.193 0.000 0.925 577 T CB -0.385 68.581 68.868 0.164 0.000 1.036 577 T HN 0.503 nan 8.240 nan 0.000 0.544 578 Y N 2.511 122.875 120.300 0.108 0.000 2.850 578 Y HA -0.395 4.154 4.550 -0.001 0.000 0.469 578 Y C 1.360 177.199 175.900 -0.102 0.000 1.165 578 Y CA 1.635 59.733 58.100 -0.002 0.000 2.638 578 Y CB -1.434 37.018 38.460 -0.014 0.000 1.196 578 Y HN 0.302 nan 8.280 nan 0.000 0.625 579 N N -1.025 117.601 118.700 -0.124 0.000 2.235 579 N HA 0.132 4.872 4.740 -0.001 0.000 0.209 579 N C 0.206 175.596 175.510 -0.199 0.000 1.122 579 N CA 0.049 52.988 53.050 -0.186 0.000 0.845 579 N CB -0.008 38.349 38.487 -0.216 0.000 1.004 579 N HN 0.339 nan 8.380 nan 0.000 0.499 580 Y N 0.234 120.600 120.300 0.109 0.000 2.583 580 Y HA 0.112 4.662 4.550 -0.000 0.000 0.293 580 Y C 2.344 178.279 175.900 0.059 0.000 1.157 580 Y CA 0.050 58.197 58.100 0.078 0.000 1.315 580 Y CB -0.491 38.023 38.460 0.090 0.000 1.021 580 Y HN 0.090 nan 8.280 nan 0.000 0.536 581 G N -0.093 108.797 108.800 0.150 0.000 2.442 581 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.219 581 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.219 581 G C 1.896 176.840 174.900 0.074 0.000 1.141 581 G CA 1.729 46.889 45.100 0.099 0.000 0.763 581 G HN 0.449 nan 8.290 nan 0.000 0.554 582 T N -0.016 114.573 114.554 0.058 0.000 2.595 582 T HA 0.054 4.404 4.350 -0.001 0.000 0.264 582 T C 1.766 176.500 174.700 0.057 0.000 1.058 582 T CA 1.786 63.912 62.100 0.044 0.000 1.166 582 T CB -1.013 67.871 68.868 0.025 0.000 0.863 582 T HN 0.824 nan 8.240 nan 0.000 0.415 583 Y N 1.587 121.934 120.300 0.078 0.000 2.601 583 Y HA 0.476 5.026 4.550 -0.001 0.000 0.350 583 Y C 1.421 177.368 175.900 0.079 0.000 1.230 583 Y CA -0.442 57.706 58.100 0.080 0.000 1.733 583 Y CB -1.461 37.061 38.460 0.104 0.000 1.497 583 Y HN 1.353 nan 8.280 nan 0.000 0.472 584 G N -0.367 108.467 108.800 0.057 0.000 2.447 584 G HA2 0.590 4.549 3.960 -0.001 0.000 0.220 584 G HA3 0.590 4.549 3.960 -0.001 0.000 0.220 584 G C -0.372 174.557 174.900 0.050 0.000 1.261 584 G CA -0.074 45.056 45.100 0.049 0.000 1.000 584 G HN 3.017 nan 8.290 nan 0.000 0.515 585 F N -2.914 117.063 119.950 0.045 0.000 2.406 585 F HA 0.539 5.065 4.527 -0.001 0.000 0.313 585 F C 0.493 176.314 175.800 0.034 0.000 1.015 585 F CA 0.161 58.187 58.000 0.043 0.000 0.827 585 F CB -0.717 38.308 39.000 0.043 0.000 3.023 585 F HN 2.429 nan 8.300 nan 0.000 0.395 586 V N 3.623 123.556 119.914 0.033 0.000 2.341 586 V HA 0.525 4.645 4.120 -0.001 0.000 0.248 586 V C 1.142 177.261 176.094 0.041 0.000 1.107 586 V CA 0.879 63.202 62.300 0.039 0.000 1.069 586 V CB 0.460 32.305 31.823 0.038 0.000 1.177 586 V HN 1.882 nan 8.190 nan 0.000 0.492 587 I N 3.382 123.983 120.570 0.051 0.000 2.830 587 I HA -0.051 4.119 4.170 -0.001 0.000 0.263 587 I C 2.331 178.485 176.117 0.062 0.000 1.230 587 I CA 1.741 63.075 61.300 0.056 0.000 1.480 587 I CB -0.165 37.882 38.000 0.079 0.000 1.095 587 I HN 0.829 nan 8.210 nan 0.000 0.455 588 H N 0.199 119.307 119.070 0.064 0.000 2.389 588 H HA -0.034 4.522 4.556 -0.001 0.000 0.299 588 H C 2.144 177.507 175.328 0.058 0.000 1.081 588 H CA 1.763 57.851 56.048 0.066 0.000 1.345 588 H CB -0.930 28.870 29.762 0.065 0.000 1.393 588 H HN 0.604 nan 8.280 nan 0.000 0.520 589 E N 0.346 120.575 120.200 0.049 0.000 2.028 589 E HA 0.028 4.378 4.350 -0.001 0.000 0.191 589 E C 2.724 179.346 176.600 0.036 0.000 0.988 589 E CA 2.398 58.823 56.400 0.042 0.000 0.799 589 E CB -1.412 28.308 29.700 0.033 0.000 0.755 589 E HN 1.218 nan 8.360 nan 0.000 0.447 590 I N 1.333 121.922 120.570 0.030 0.000 2.194 590 I HA 0.154 4.323 4.170 -0.001 0.000 0.246 590 I C 3.011 179.144 176.117 0.026 0.000 1.093 590 I CA 2.836 64.149 61.300 0.022 0.000 1.355 590 I CB -1.638 36.370 38.000 0.014 0.000 1.046 590 I HN 0.629 nan 8.210 nan 0.000 0.413 591 A N 0.145 122.989 122.820 0.039 0.000 2.019 591 A HA 0.010 4.330 4.320 -0.001 0.000 0.219 591 A C 2.348 179.962 177.584 0.050 0.000 1.164 591 A CA 2.368 54.434 52.037 0.048 0.000 0.644 591 A CB -1.107 17.934 19.000 0.069 0.000 0.805 591 A HN 1.098 nan 8.150 nan 0.000 0.449 592 E N -0.536 119.694 120.200 0.051 0.000 2.072 592 E HA -0.140 4.210 4.350 -0.001 0.000 0.191 592 E C 1.978 178.605 176.600 0.045 0.000 0.985 592 E CA 1.472 57.906 56.400 0.056 0.000 0.801 592 E CB -0.717 29.019 29.700 0.061 0.000 0.750 592 E HN 0.716 nan 8.360 nan 0.000 0.452 593 M N 0.213 119.833 119.600 0.033 0.000 2.159 593 M HA -0.140 4.339 4.480 -0.001 0.000 0.263 593 M C 2.368 178.679 176.300 0.018 0.000 1.063 593 M CA 1.539 56.852 55.300 0.022 0.000 1.110 593 M CB -0.131 32.477 32.600 0.013 0.000 1.374 593 M HN 0.315 nan 8.290 nan 0.000 0.411 594 V N 0.714 120.640 119.914 0.020 0.000 2.295 594 V HA -0.252 3.867 4.120 -0.001 0.000 0.246 594 V C 2.665 178.771 176.094 0.020 0.000 1.049 594 V CA 1.948 64.257 62.300 0.016 0.000 1.024 594 V CB -1.515 30.319 31.823 0.018 0.000 0.648 594 V HN 0.644 nan 8.190 nan 0.000 0.447 595 A N -0.336 122.504 122.820 0.033 0.000 1.978 595 A HA -0.173 4.147 4.320 -0.001 0.000 0.220 595 A C 2.216 179.819 177.584 0.033 0.000 1.170 595 A CA 1.883 53.942 52.037 0.036 0.000 0.636 595 A CB -0.521 18.511 19.000 0.053 0.000 0.810 595 A HN 0.530 nan 8.150 nan 0.000 0.448 596 L N -0.882 120.362 121.223 0.035 0.000 2.131 596 L HA -0.124 4.215 4.340 -0.001 0.000 0.206 596 L C 3.074 179.956 176.870 0.021 0.000 1.087 596 L CA 1.061 55.921 54.840 0.033 0.000 0.767 596 L CB -1.021 41.057 42.059 0.033 0.000 0.917 596 L HN 0.622 nan 8.230 nan 0.000 0.441 597 N N 0.395 119.102 118.700 0.012 0.000 2.104 597 N HA -0.284 4.456 4.740 -0.001 0.000 0.190 597 N C 2.109 177.619 175.510 -0.001 0.000 1.024 597 N CA 3.026 56.076 53.050 0.001 0.000 0.853 597 N CB -0.846 37.637 38.487 -0.006 0.000 1.008 597 N HN 0.337 nan 8.380 nan 0.000 0.424 598 M N -1.081 118.517 119.600 -0.003 0.000 2.132 598 M HA 0.411 4.891 4.480 -0.001 0.000 0.263 598 M C 2.481 178.769 176.300 -0.019 0.000 1.065 598 M CA 2.148 57.437 55.300 -0.019 0.000 1.122 598 M CB -1.373 31.213 32.600 -0.022 0.000 1.365 598 M HN 1.931 nan 8.290 nan 0.000 0.411 599 G N -1.910 106.893 108.800 0.005 0.000 2.207 599 G HA2 0.169 4.128 3.960 -0.001 0.000 0.216 599 G HA3 0.169 4.128 3.960 -0.001 0.000 0.216 599 G C 0.637 175.555 174.900 0.030 0.000 1.053 599 G CA 1.311 46.433 45.100 0.036 0.000 0.764 599 G HN 1.734 nan 8.290 nan 0.000 0.495 600 Q N -1.615 118.192 119.800 0.012 0.000 2.030 600 Q HA 0.280 4.619 4.340 -0.001 0.000 0.204 600 Q C 2.002 178.102 176.000 0.167 0.000 0.986 600 Q CA 2.757 58.581 55.803 0.036 0.000 0.843 600 Q CB -0.708 28.060 28.738 0.049 0.000 0.904 600 Q HN 2.350 nan 8.270 nan 0.000 0.420 601 Y N -0.883 119.479 120.300 0.103 0.000 2.417 601 Y HA 0.724 5.274 4.550 -0.001 0.000 0.336 601 Y C 0.617 176.594 175.900 0.128 0.000 0.961 601 Y CA -1.589 56.561 58.100 0.084 0.000 1.215 601 Y CB 0.533 39.033 38.460 0.066 0.000 1.120 601 Y HN 0.711 nan 8.280 nan 0.000 0.499 602 A N 3.015 125.955 122.820 0.200 0.000 3.004 602 A HA 0.529 4.848 4.320 -0.001 0.000 0.286 602 A C 0.658 178.283 177.584 0.068 0.000 1.632 602 A CA 0.408 52.562 52.037 0.196 0.000 1.339 602 A CB -2.049 17.182 19.000 0.385 0.000 1.136 602 A HN 2.192 nan 8.150 nan 0.000 0.577 603 H N -0.149 118.922 119.070 0.001 0.000 3.001 603 H HA 0.433 4.988 4.556 -0.001 0.000 0.334 603 H C 1.744 176.992 175.328 -0.135 0.000 1.034 603 H CA 0.344 56.322 56.048 -0.115 0.000 1.420 603 H CB 0.396 30.062 29.762 -0.160 0.000 1.405 603 H HN 2.160 nan 8.280 nan 0.000 0.593 604 G N 1.184 109.859 108.800 -0.208 0.000 2.299 604 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.237 604 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.237 604 G C 0.790 175.635 174.900 -0.092 0.000 1.027 604 G CA 0.377 45.388 45.100 -0.149 0.000 0.619 604 G HN 1.105 nan 8.290 nan 0.000 0.513 605 N N 1.902 120.559 118.700 -0.072 0.000 2.374 605 N HA 0.326 5.066 4.740 -0.001 0.000 0.269 605 N C 1.728 177.155 175.510 -0.137 0.000 1.310 605 N CA 1.503 54.500 53.050 -0.087 0.000 0.877 605 N CB 0.724 39.127 38.487 -0.140 0.000 1.096 605 N HN 0.846 nan 8.380 nan 0.000 0.484 606 Q N 5.885 125.591 119.800 -0.156 0.000 2.045 606 Q HA -0.130 4.210 4.340 -0.001 0.000 0.206 606 Q C -0.736 175.099 176.000 -0.276 0.000 0.991 606 Q CA 1.928 57.547 55.803 -0.306 0.000 0.851 606 Q CB -1.978 26.357 28.738 -0.672 0.000 0.911 606 Q HN 0.715 nan 8.270 nan 0.000 0.418 607 P HA -0.052 nan 4.420 nan 0.000 0.234 607 P C 0.764 178.106 177.300 0.070 0.000 1.167 607 P CA 1.750 64.674 63.100 -0.293 0.000 0.763 607 P CB -0.111 30.973 31.700 -1.027 0.000 0.835 608 V N -5.330 114.574 119.914 -0.015 0.000 3.380 608 V HA 0.220 4.340 4.120 -0.001 0.000 0.307 608 V C 2.055 178.084 176.094 -0.108 0.000 1.434 608 V CA -0.026 62.230 62.300 -0.074 0.000 1.075 608 V CB -0.660 31.103 31.823 -0.100 0.000 0.954 608 V HN -0.120 nan 8.190 nan 0.000 0.444 609 Q N 1.534 121.326 119.800 -0.013 0.000 2.152 609 Q HA -0.220 4.120 4.340 -0.001 0.000 0.206 609 Q C 2.130 178.223 176.000 0.156 0.000 0.985 609 Q CA 2.293 58.094 55.803 -0.002 0.000 0.863 609 Q CB -0.319 28.438 28.738 0.031 0.000 0.904 609 Q HN 1.028 nan 8.270 nan 0.000 0.422 610 H N -1.652 117.467 119.070 0.081 0.000 2.548 610 H HA 0.275 4.831 4.556 -0.001 0.000 0.268 610 H C 1.658 177.066 175.328 0.134 0.000 0.975 610 H CA 0.764 56.881 56.048 0.114 0.000 1.195 610 H CB -0.061 29.769 29.762 0.112 0.000 1.397 610 H HN 0.183 nan 8.280 nan 0.000 0.572 611 A N 2.061 124.530 122.820 -0.584 0.000 1.978 611 A HA -0.064 4.255 4.320 -0.001 0.000 0.220 611 A C 2.545 179.962 177.584 -0.279 0.000 1.170 611 A CA 1.167 52.825 52.037 -0.632 0.000 0.636 611 A CB -0.824 17.723 19.000 -0.755 0.000 0.810 611 A HN 0.402 nan 8.150 nan 0.000 0.448 612 I N -1.871 118.615 120.570 -0.140 0.000 2.454 612 I HA -0.253 3.917 4.170 -0.001 0.000 0.254 612 I C 1.806 177.803 176.117 -0.199 0.000 1.156 612 I CA 1.175 62.310 61.300 -0.275 0.000 1.433 612 I CB -0.262 37.486 38.000 -0.420 0.000 1.082 612 I HN 0.421 nan 8.210 nan 0.000 0.432 613 Y N 0.235 120.523 120.300 -0.020 0.000 2.561 613 Y HA -0.021 4.529 4.550 -0.000 0.000 0.291 613 Y C 2.162 178.172 175.900 0.182 0.000 1.141 613 Y CA 0.451 58.614 58.100 0.106 0.000 1.303 613 Y CB -0.257 38.298 38.460 0.158 0.000 1.015 613 Y HN 0.105 nan 8.280 nan 0.000 0.547 614 L N -1.565 119.717 121.223 0.098 0.000 2.191 614 L HA -0.247 4.093 4.340 -0.001 0.000 0.212 614 L C 1.661 178.545 176.870 0.025 0.000 1.103 614 L CA 1.162 56.004 54.840 0.004 0.000 0.769 614 L CB -0.661 41.277 42.059 -0.202 0.000 0.908 614 L HN 0.268 nan 8.230 nan 0.000 0.438 615 Y N 0.093 120.385 120.300 -0.014 0.000 2.315 615 Y HA -0.281 4.268 4.550 -0.001 0.000 0.288 615 Y C 2.312 178.133 175.900 -0.132 0.000 1.154 615 Y CA 1.174 59.200 58.100 -0.123 0.000 1.229 615 Y CB -0.573 37.778 38.460 -0.181 0.000 0.980 615 Y HN 0.221 nan 8.280 nan 0.000 0.540 616 D N -1.193 119.306 120.400 0.164 0.000 2.221 616 D HA -0.200 4.440 4.640 -0.001 0.000 0.204 616 D C 1.403 177.585 176.300 -0.198 0.000 0.982 616 D CA 1.455 55.489 54.000 0.057 0.000 0.857 616 D CB -0.366 40.510 40.800 0.127 0.000 0.934 616 D HN 0.475 nan 8.370 nan 0.000 0.475 617 Y N -0.283 119.840 120.300 -0.296 0.000 2.500 617 Y HA 0.177 4.727 4.550 -0.001 0.000 0.270 617 Y C 1.839 177.012 175.900 -1.212 0.000 1.134 617 Y CA 0.029 57.809 58.100 -0.535 0.000 1.293 617 Y CB 0.348 38.650 38.460 -0.263 0.000 1.063 617 Y HN 0.005 nan 8.280 nan 0.000 0.534 618 I N -4.736 115.274 120.570 -0.934 0.000 3.994 618 I HA 0.617 4.787 4.170 -0.001 0.000 0.323 618 I C 1.035 176.789 176.117 -0.605 0.000 1.501 618 I CA 0.360 61.000 61.300 -1.100 0.000 1.112 618 I CB 0.740 38.325 38.000 -0.690 0.000 1.254 618 I HN 0.073 nan 8.210 nan 0.000 0.495 619 G N 1.826 110.324 108.800 -0.503 0.000 2.179 619 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.220 619 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.220 619 G C 0.072 174.955 174.900 -0.029 0.000 0.990 619 G CA -0.073 45.064 45.100 0.062 0.000 0.646 619 G HN 0.555 nan 8.290 nan 0.000 0.517 620 Q N -0.012 119.618 119.800 -0.283 0.000 2.928 620 Q HA 0.219 4.559 4.340 -0.001 0.000 0.353 620 Q C -1.900 173.652 176.000 -0.747 0.000 0.870 620 Q CA -1.545 53.698 55.803 -0.933 0.000 0.963 620 Q CB 2.022 30.079 28.738 -1.135 0.000 1.419 620 Q HN 0.282 nan 8.270 nan 0.000 0.396 621 P HA -0.192 nan 4.420 nan 0.000 0.219 621 P C 0.907 178.201 177.300 -0.010 0.000 1.146 621 P CA 1.136 64.221 63.100 -0.026 0.000 0.808 621 P CB -0.161 31.624 31.700 0.142 0.000 0.779 622 W N 1.275 122.605 121.300 0.050 0.000 2.392 622 W HA 0.007 4.667 4.660 -0.000 0.000 0.279 622 W C 1.739 178.300 176.519 0.071 0.000 1.225 622 W CA 0.862 58.277 57.345 0.117 0.000 1.233 622 W CB -1.436 28.038 29.460 0.023 0.000 1.122 622 W HN -0.131 nan 8.180 nan 0.000 0.561 623 K N 0.355 120.393 120.400 -0.602 0.000 2.062 623 K HA -0.066 4.253 4.320 -0.001 0.000 0.205 623 K C 2.106 178.430 176.600 -0.459 0.000 1.051 623 K CA 1.893 57.770 56.287 -0.684 0.000 0.941 623 K CB -0.623 30.996 32.500 -1.467 0.000 0.719 623 K HN 0.060 nan 8.250 nan 0.000 0.440 624 T N 1.789 116.150 114.554 -0.322 0.000 2.665 624 T HA -0.222 4.127 4.350 -0.001 0.000 0.268 624 T C 1.851 176.450 174.700 -0.168 0.000 1.035 624 T CA 1.576 63.600 62.100 -0.127 0.000 1.151 624 T CB -0.193 68.647 68.868 -0.047 0.000 0.862 624 T HN 0.298 nan 8.240 nan 0.000 0.438 625 Q N -0.609 119.143 119.800 -0.080 0.000 2.030 625 Q HA -0.145 4.194 4.340 -0.001 0.000 0.204 625 Q C 2.102 177.976 176.000 -0.210 0.000 0.986 625 Q CA 1.894 57.643 55.803 -0.090 0.000 0.843 625 Q CB -0.359 28.411 28.738 0.052 0.000 0.904 625 Q HN 0.651 nan 8.270 nan 0.000 0.420 626 Y N 0.566 120.660 120.300 -0.343 0.000 2.145 626 Y HA -0.278 4.272 4.550 -0.000 0.000 0.286 626 Y C 2.225 177.898 175.900 -0.379 0.000 1.145 626 Y CA 1.830 59.649 58.100 -0.468 0.000 1.148 626 Y CB -0.167 38.047 38.460 -0.411 0.000 0.981 626 Y HN 0.212 nan 8.280 nan 0.000 0.507 627 H N -0.189 118.738 119.070 -0.238 0.000 2.389 627 H HA -0.100 4.455 4.556 -0.001 0.000 0.299 627 H C 2.498 177.605 175.328 -0.368 0.000 1.081 627 H CA 1.685 57.516 56.048 -0.362 0.000 1.345 627 H CB -0.466 29.038 29.762 -0.430 0.000 1.393 627 H HN 0.391 nan 8.280 nan 0.000 0.520 628 L N 0.402 121.488 121.223 -0.228 0.000 2.012 628 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 628 L C 2.783 179.557 176.870 -0.161 0.000 1.073 628 L CA 1.107 55.832 54.840 -0.192 0.000 0.748 628 L CB -0.149 41.717 42.059 -0.322 0.000 0.891 628 L HN 0.147 nan 8.230 nan 0.000 0.431 629 R N -0.316 120.029 120.500 -0.259 0.000 2.092 629 R HA -0.100 4.240 4.340 -0.001 0.000 0.231 629 R C 1.949 178.108 176.300 -0.235 0.000 1.119 629 R CA 0.930 56.875 56.100 -0.257 0.000 0.970 629 R CB -0.929 29.187 30.300 -0.307 0.000 0.864 629 R HN 0.418 nan 8.270 nan 0.000 0.440 630 N N 0.575 119.077 118.700 -0.331 0.000 2.084 630 N HA -0.116 4.623 4.740 -0.001 0.000 0.190 630 N C 1.901 177.369 175.510 -0.071 0.000 1.030 630 N CA 0.978 53.876 53.050 -0.252 0.000 0.849 630 N CB -0.322 37.952 38.487 -0.356 0.000 1.012 630 N HN -0.043 nan 8.380 nan 0.000 0.423 631 V N 1.344 121.250 119.914 -0.014 0.000 2.295 631 V HA -0.192 3.928 4.120 -0.001 0.000 0.246 631 V C 2.340 178.576 176.094 0.236 0.000 1.049 631 V CA 1.364 63.727 62.300 0.106 0.000 1.024 631 V CB -0.378 31.529 31.823 0.139 0.000 0.648 631 V HN 0.314 nan 8.190 nan 0.000 0.447 632 M N -0.541 119.183 119.600 0.207 0.000 2.159 632 M HA -0.183 4.297 4.480 -0.001 0.000 0.263 632 M C 1.873 178.311 176.300 0.230 0.000 1.063 632 M CA 1.708 57.157 55.300 0.248 0.000 1.110 632 M CB -0.517 32.056 32.600 -0.045 0.000 1.374 632 M HN 0.347 nan 8.290 nan 0.000 0.411 633 D N 0.229 120.680 120.400 0.085 0.000 2.149 633 D HA -0.079 4.561 4.640 -0.001 0.000 0.201 633 D C 1.721 178.071 176.300 0.082 0.000 0.972 633 D CA 1.203 55.234 54.000 0.052 0.000 0.835 633 D CB 0.012 40.797 40.800 -0.025 0.000 0.966 633 D HN 0.359 nan 8.370 nan 0.000 0.476 634 K N -0.460 119.993 120.400 0.089 0.000 2.370 634 K HA 0.253 4.573 4.320 -0.001 0.000 0.194 634 K C 1.474 178.110 176.600 0.061 0.000 1.070 634 K CA 0.062 56.386 56.287 0.061 0.000 0.998 634 K CB 0.995 33.517 32.500 0.037 0.000 0.911 634 K HN 0.059 nan 8.250 nan 0.000 0.533 635 L N 0.344 121.628 121.223 0.101 0.000 2.728 635 L HA 0.261 4.601 4.340 -0.001 0.000 0.238 635 L C -0.506 176.242 176.870 -0.204 0.000 1.143 635 L CA -0.047 54.772 54.840 -0.036 0.000 0.937 635 L CB 0.251 42.262 42.059 -0.080 0.000 1.225 635 L HN 0.045 nan 8.230 nan 0.000 0.507 636 Y N 0.791 121.100 120.300 0.016 0.000 2.492 636 Y HA 0.406 4.956 4.550 -0.001 0.000 0.346 636 Y C -0.010 175.824 175.900 -0.110 0.000 0.997 636 Y CA -1.069 56.980 58.100 -0.085 0.000 1.025 636 Y CB 1.842 40.240 38.460 -0.104 0.000 1.263 636 Y HN 0.028 nan 8.280 nan 0.000 0.454 637 N N -1.232 117.444 118.700 -0.041 0.000 2.934 637 N HA 0.201 4.941 4.740 -0.001 0.000 0.253 637 N C -0.532 174.897 175.510 -0.134 0.000 1.466 637 N CA -0.636 52.378 53.050 -0.061 0.000 0.858 637 N CB 1.649 40.110 38.487 -0.043 0.000 1.459 637 N HN 0.490 nan 8.380 nan 0.000 0.532 638 S N -1.630 114.013 115.700 -0.094 0.000 2.575 638 S HA 0.229 4.698 4.470 -0.001 0.000 0.215 638 S C 0.909 175.452 174.600 -0.094 0.000 0.966 638 S CA 0.023 58.166 58.200 -0.096 0.000 0.911 638 S CB -0.552 62.631 63.200 -0.027 0.000 0.780 638 S HN 0.739 nan 8.310 nan 0.000 0.514 639 G N 1.371 110.105 108.800 -0.110 0.000 2.525 639 G HA2 0.407 4.367 3.960 -0.001 0.000 0.287 639 G HA3 0.407 4.367 3.960 -0.001 0.000 0.287 639 G C 0.899 175.698 174.900 -0.168 0.000 1.350 639 G CA -0.076 44.944 45.100 -0.134 0.000 1.039 639 G HN 0.423 nan 8.290 nan 0.000 0.513 640 S N -1.194 114.343 115.700 -0.271 0.000 2.423 640 S HA -0.036 4.434 4.470 -0.001 0.000 0.231 640 S C 1.339 175.829 174.600 -0.183 0.000 1.014 640 S CA 0.985 58.994 58.200 -0.318 0.000 0.965 640 S CB -0.041 62.670 63.200 -0.814 0.000 0.785 640 S HN 0.472 nan 8.310 nan 0.000 0.495 641 K N 1.143 121.409 120.400 -0.222 0.000 2.675 641 K HA 0.265 4.585 4.320 -0.001 0.000 0.213 641 K C 1.468 178.018 176.600 -0.083 0.000 1.074 641 K CA 0.184 56.324 56.287 -0.245 0.000 1.172 641 K CB 0.116 32.281 32.500 -0.559 0.000 0.927 641 K HN 0.465 nan 8.250 nan 0.000 0.471 642 G N 0.296 109.051 108.800 -0.075 0.000 2.471 642 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.219 642 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.219 642 G C 0.175 174.926 174.900 -0.248 0.000 1.125 642 G CA 0.778 45.772 45.100 -0.177 0.000 0.775 642 G HN 0.184 nan 8.290 nan 0.000 0.548 643 Y N -2.535 117.767 120.300 0.004 0.000 2.528 643 Y HA 0.415 4.964 4.550 -0.001 0.000 0.335 643 Y C 1.088 176.948 175.900 -0.067 0.000 1.093 643 Y CA -1.203 56.836 58.100 -0.102 0.000 1.134 643 Y CB 1.574 40.014 38.460 -0.033 0.000 1.253 643 Y HN -0.104 nan 8.280 nan 0.000 0.478 644 C N 0.638 119.933 119.300 -0.009 0.000 2.626 644 C HA 0.630 5.089 4.460 -0.001 0.000 0.266 644 C C 0.819 175.797 174.990 -0.021 0.000 1.317 644 C CA 1.039 60.036 59.018 -0.035 0.000 1.716 644 C CB -1.840 25.831 27.740 -0.116 0.000 1.819 644 C HN 0.972 nan 8.230 nan 0.000 0.578 645 G N -0.419 108.396 108.800 0.024 0.000 2.427 645 G HA2 0.339 4.298 3.960 -0.001 0.000 0.306 645 G HA3 0.339 4.298 3.960 -0.001 0.000 0.306 645 G C -2.068 172.851 174.900 0.031 0.000 1.280 645 G CA -0.459 44.660 45.100 0.032 0.000 0.837 645 G HN 0.082 nan 8.290 nan 0.000 0.482 646 D N 0.640 121.077 120.400 0.061 0.000 2.493 646 D HA 0.168 4.808 4.640 -0.001 0.000 0.240 646 D C 1.338 177.570 176.300 -0.113 0.000 1.142 646 D CA -0.155 53.868 54.000 0.039 0.000 0.872 646 D CB 1.586 42.478 40.800 0.153 0.000 1.173 646 D HN 0.409 nan 8.370 nan 0.000 0.467 647 E N 1.466 121.497 120.200 -0.282 0.000 2.110 647 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 647 E C -0.389 176.105 176.600 -0.178 0.000 0.988 647 E CA 0.808 56.922 56.400 -0.476 0.000 0.804 647 E CB 0.087 29.442 29.700 -0.575 0.000 0.745 647 E HN 0.424 nan 8.360 nan 0.000 0.458 648 D N 0.303 120.661 120.400 -0.070 0.000 2.848 648 D HA -0.201 4.439 4.640 -0.001 0.000 0.245 648 D C -0.577 175.710 176.300 -0.021 0.000 1.122 648 D CA 1.003 55.014 54.000 0.019 0.000 0.769 648 D CB -1.917 38.928 40.800 0.076 0.000 1.025 648 D HN 0.339 nan 8.370 nan 0.000 0.423 649 N N -0.974 117.660 118.700 -0.110 0.000 2.725 649 N HA -0.202 4.537 4.740 -0.001 0.000 0.249 649 N C 1.132 176.683 175.510 0.070 0.000 1.103 649 N CA 2.252 55.212 53.050 -0.149 0.000 0.707 649 N CB -1.088 37.297 38.487 -0.169 0.000 1.043 649 N HN 0.817 nan 8.380 nan 0.000 0.553 650 G N -1.639 107.196 108.800 0.057 0.000 2.213 650 G HA2 -0.409 3.551 3.960 -0.001 0.000 0.236 650 G HA3 -0.409 3.551 3.960 -0.001 0.000 0.236 650 G C 0.701 175.634 174.900 0.055 0.000 0.991 650 G CA 0.884 46.027 45.100 0.072 0.000 0.629 650 G HN 0.523 nan 8.290 nan 0.000 0.517 651 Q N 1.043 120.864 119.800 0.035 0.000 2.016 651 Q HA 0.020 4.360 4.340 -0.001 0.000 0.200 651 Q C 2.558 178.649 176.000 0.151 0.000 0.978 651 Q CA 3.037 58.871 55.803 0.052 0.000 0.833 651 Q CB -0.899 27.835 28.738 -0.006 0.000 0.895 651 Q HN 0.508 nan 8.270 nan 0.000 0.427 652 T N -0.054 114.573 114.554 0.122 0.000 2.788 652 T HA -0.103 4.247 4.350 -0.001 0.000 0.268 652 T C 1.975 176.948 174.700 0.456 0.000 1.044 652 T CA 1.337 63.582 62.100 0.242 0.000 1.139 652 T CB -0.364 68.574 68.868 0.117 0.000 0.867 652 T HN 0.234 nan 8.240 nan 0.000 0.454 653 S N 1.255 117.156 115.700 0.335 0.000 2.383 653 S HA 0.015 4.485 4.470 -0.001 0.000 0.227 653 S C 2.557 177.331 174.600 0.290 0.000 1.026 653 S CA 0.901 59.319 58.200 0.364 0.000 0.981 653 S CB -0.444 62.897 63.200 0.234 0.000 0.818 653 S HN 0.611 nan 8.310 nan 0.000 0.472 654 A N 0.005 122.967 122.820 0.238 0.000 1.968 654 A HA -0.075 4.245 4.320 -0.001 0.000 0.217 654 A C 1.773 179.592 177.584 0.392 0.000 1.169 654 A CA 0.972 53.128 52.037 0.198 0.000 0.638 654 A CB -0.930 18.140 19.000 0.116 0.000 0.812 654 A HN 0.715 nan 8.150 nan 0.000 0.446 655 W N -0.708 120.782 121.300 0.318 0.000 2.338 655 W HA -0.275 4.385 4.660 -0.001 0.000 0.304 655 W C 2.016 178.715 176.519 0.301 0.000 1.212 655 W CA 2.092 59.692 57.345 0.426 0.000 1.264 655 W CB -0.344 29.310 29.460 0.323 0.000 1.142 655 W HN 0.470 nan 8.180 nan 0.000 0.512 656 Y N -0.052 120.524 120.300 0.459 0.000 2.200 656 Y HA -0.223 4.327 4.550 -0.000 0.000 0.290 656 Y C 2.275 178.175 175.900 0.000 0.000 1.137 656 Y CA 2.436 60.602 58.100 0.110 0.000 1.163 656 Y CB -0.726 37.593 38.460 -0.235 0.000 0.988 656 Y HN -0.186 nan 8.280 nan 0.000 0.518 657 V N -0.241 119.754 119.914 0.135 0.000 2.261 657 V HA -0.316 3.804 4.120 -0.001 0.000 0.246 657 V C 2.105 178.155 176.094 -0.074 0.000 1.047 657 V CA 2.132 64.391 62.300 -0.068 0.000 1.015 657 V CB -0.915 30.721 31.823 -0.311 0.000 0.642 657 V HN 0.336 nan 8.190 nan 0.000 0.446 658 F N 0.912 120.787 119.950 -0.125 0.000 2.069 658 F HA -0.181 4.346 4.527 -0.001 0.000 0.298 658 F C 2.767 178.339 175.800 -0.379 0.000 1.113 658 F CA 2.000 59.827 58.000 -0.289 0.000 1.214 658 F CB -0.878 38.014 39.000 -0.180 0.000 0.978 658 F HN 0.035 nan 8.300 nan 0.000 0.474 659 S N -0.272 115.304 115.700 -0.206 0.000 2.382 659 S HA -0.189 4.280 4.470 -0.001 0.000 0.228 659 S C 2.288 176.678 174.600 -0.351 0.000 1.027 659 S CA 0.995 58.962 58.200 -0.389 0.000 0.991 659 S CB -0.706 61.950 63.200 -0.907 0.000 0.823 659 S HN 0.381 nan 8.310 nan 0.000 0.469 660 A N 1.293 123.889 122.820 -0.373 0.000 1.969 660 A HA 0.029 4.349 4.320 -0.001 0.000 0.218 660 A C 2.063 179.541 177.584 -0.177 0.000 1.169 660 A CA 1.144 52.993 52.037 -0.313 0.000 0.635 660 A CB -0.518 18.370 19.000 -0.186 0.000 0.810 660 A HN 0.487 nan 8.150 nan 0.000 0.445 661 M N -1.834 117.650 119.600 -0.193 0.000 2.394 661 M HA 0.088 4.568 4.480 -0.001 0.000 0.264 661 M C 1.486 177.655 176.300 -0.218 0.000 1.073 661 M CA 1.157 56.306 55.300 -0.251 0.000 1.111 661 M CB 0.067 32.384 32.600 -0.472 0.000 1.401 661 M HN 0.657 nan 8.290 nan 0.000 0.448 662 G N 1.032 109.698 108.800 -0.224 0.000 2.175 662 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.182 662 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.182 662 G C -0.201 174.835 174.900 0.228 0.000 1.003 662 G CA -0.200 44.918 45.100 0.030 0.000 0.666 662 G HN 0.510 nan 8.290 nan 0.000 0.506 663 F N -2.191 117.860 119.950 0.168 0.000 2.713 663 F HA 0.825 5.351 4.527 -0.001 0.000 0.311 663 F C -1.142 174.704 175.800 0.076 0.000 1.141 663 F CA -2.489 55.608 58.000 0.161 0.000 0.939 663 F CB 1.105 40.182 39.000 0.128 0.000 1.325 663 F HN 0.275 nan 8.300 nan 0.000 0.453 664 Y N 1.631 121.861 120.300 -0.117 0.000 2.482 664 Y HA 0.556 5.106 4.550 -0.001 0.000 0.334 664 Y C -2.937 172.679 175.900 -0.473 0.000 1.091 664 Y CA -2.371 55.349 58.100 -0.633 0.000 1.027 664 Y CB 3.165 40.858 38.460 -1.278 0.000 1.306 664 Y HN 0.456 nan 8.280 nan 0.000 0.446 665 P HA 0.079 nan 4.420 nan 0.000 0.252 665 P C 0.526 177.478 177.300 -0.580 0.000 1.727 665 P CA 0.300 62.938 63.100 -0.770 0.000 1.134 665 P CB 0.768 31.986 31.700 -0.804 0.000 1.876 666 V N 1.536 121.338 119.914 -0.187 0.000 2.332 666 V HA -0.199 3.920 4.120 -0.001 0.000 0.248 666 V C 1.441 177.455 176.094 -0.134 0.000 1.055 666 V CA 1.809 64.110 62.300 0.001 0.000 1.038 666 V CB -0.296 31.637 31.823 0.184 0.000 0.651 666 V HN 0.569 nan 8.190 nan 0.000 0.450 667 C N 1.729 120.986 119.300 -0.071 0.000 3.002 667 C HA 0.514 4.974 4.460 -0.001 0.000 0.248 667 C C -2.658 172.391 174.990 0.099 0.000 1.153 667 C CA -2.208 56.830 59.018 0.033 0.000 1.502 667 C CB -0.244 27.545 27.740 0.081 0.000 1.805 667 C HN 0.287 nan 8.230 nan 0.000 0.450 668 P HA 0.312 nan 4.420 nan 0.000 0.266 668 P C 0.927 178.439 177.300 0.353 0.000 1.195 668 P CA 2.025 65.230 63.100 0.176 0.000 0.768 668 P CB 0.538 32.389 31.700 0.251 0.000 0.838 669 G N 1.144 110.072 108.800 0.213 0.000 2.232 669 G HA2 -0.228 3.732 3.960 -0.001 0.000 0.226 669 G HA3 -0.228 3.732 3.960 -0.001 0.000 0.226 669 G C -0.074 174.969 174.900 0.238 0.000 0.996 669 G CA 0.152 45.388 45.100 0.227 0.000 0.626 669 G HN 0.585 nan 8.290 nan 0.000 0.509 670 M N 2.730 122.484 119.600 0.257 0.000 2.125 670 M HA 0.635 5.114 4.480 -0.001 0.000 0.321 670 M C -2.526 173.751 176.300 -0.038 0.000 0.983 670 M CA -3.087 52.279 55.300 0.109 0.000 0.934 670 M CB 1.744 34.391 32.600 0.078 0.000 1.542 670 M HN -0.078 nan 8.290 nan 0.000 0.424 671 P HA 0.159 nan 4.420 nan 0.000 0.230 671 P C -1.531 175.721 177.300 -0.080 0.000 1.791 671 P CA 0.297 63.340 63.100 -0.094 0.000 1.020 671 P CB -0.790 30.902 31.700 -0.013 0.000 1.977 672 E N 1.075 121.122 120.200 -0.255 0.000 2.430 672 E HA 0.438 4.787 4.350 -0.001 0.000 0.279 672 E C -1.656 174.712 176.600 -0.387 0.000 1.003 672 E CA -1.071 55.250 56.400 -0.132 0.000 0.801 672 E CB 1.238 30.988 29.700 0.084 0.000 1.313 672 E HN 0.005 nan 8.360 nan 0.000 0.459 673 Y N 0.212 120.576 120.300 0.106 0.000 2.346 673 Y HA 0.558 5.108 4.550 -0.001 0.000 0.332 673 Y C 0.033 176.037 175.900 0.173 0.000 0.985 673 Y CA -0.987 57.152 58.100 0.065 0.000 1.112 673 Y CB 2.320 40.831 38.460 0.085 0.000 1.170 673 Y HN 0.759 nan 8.280 nan 0.000 0.447 674 A N 4.340 127.316 122.820 0.261 0.000 2.477 674 A HA 0.449 4.768 4.320 -0.001 0.000 0.246 674 A C -0.149 177.669 177.584 0.389 0.000 1.078 674 A CA -0.195 52.027 52.037 0.309 0.000 0.770 674 A CB -0.056 19.144 19.000 0.334 0.000 1.011 674 A HN 0.795 nan 8.150 nan 0.000 0.494 675 I N 2.570 123.389 120.570 0.415 0.000 2.474 675 I HA 0.376 4.545 4.170 -0.001 0.000 0.287 675 I C 1.295 177.670 176.117 0.429 0.000 1.048 675 I CA 0.410 61.965 61.300 0.425 0.000 1.383 675 I CB 1.576 39.794 38.000 0.363 0.000 1.412 675 I HN 0.804 nan 8.210 nan 0.000 0.531 676 G N 3.121 112.160 108.800 0.398 0.000 2.930 676 G HA2 0.379 4.338 3.960 -0.001 0.000 0.209 676 G HA3 0.379 4.338 3.960 -0.001 0.000 0.209 676 G C -0.539 174.413 174.900 0.085 0.000 2.018 676 G CA -0.021 45.189 45.100 0.183 0.000 0.751 676 G HN 0.510 nan 8.290 nan 0.000 0.770 677 S N 1.191 116.896 115.700 0.008 0.000 2.626 677 S HA 0.553 5.022 4.470 -0.001 0.000 0.275 677 S C -3.137 171.418 174.600 -0.076 0.000 1.175 677 S CA -0.894 57.291 58.200 -0.026 0.000 0.982 677 S CB 2.227 65.371 63.200 -0.093 0.000 1.093 677 S HN 0.292 nan 8.310 nan 0.000 0.472 678 P HA 0.208 nan 4.420 nan 0.000 0.274 678 P C 0.516 177.709 177.300 -0.178 0.000 1.231 678 P CA -0.531 62.519 63.100 -0.084 0.000 0.790 678 P CB 0.899 32.594 31.700 -0.007 0.000 0.951 679 L N 1.583 122.630 121.223 -0.294 0.000 2.249 679 L HA 0.254 4.594 4.340 -0.001 0.000 0.207 679 L C 0.572 177.093 176.870 -0.582 0.000 1.090 679 L CA 1.233 55.761 54.840 -0.520 0.000 0.802 679 L CB -0.403 41.168 42.059 -0.814 0.000 0.947 679 L HN 0.186 nan 8.230 nan 0.000 0.453 680 F N -0.812 119.024 119.950 -0.191 0.000 2.509 680 F HA 0.343 4.870 4.527 -0.000 0.000 0.334 680 F C 1.574 177.309 175.800 -0.109 0.000 1.060 680 F CA -0.653 57.248 58.000 -0.165 0.000 0.997 680 F CB 0.726 39.586 39.000 -0.234 0.000 1.271 680 F HN -0.359 nan 8.300 nan 0.000 0.488 681 K N 0.067 120.546 120.400 0.131 0.000 2.365 681 K HA -0.014 4.306 4.320 -0.001 0.000 0.199 681 K C 0.034 176.661 176.600 0.045 0.000 1.045 681 K CA 1.013 57.336 56.287 0.059 0.000 0.962 681 K CB 0.212 32.740 32.500 0.046 0.000 0.759 681 K HN 0.376 nan 8.250 nan 0.000 0.469 682 K N 0.593 121.024 120.400 0.052 0.000 2.570 682 K HA 0.163 4.483 4.320 -0.001 0.000 0.256 682 K C -1.771 174.797 176.600 -0.054 0.000 0.939 682 K CA -0.587 55.699 56.287 -0.000 0.000 0.833 682 K CB 1.945 34.438 32.500 -0.013 0.000 1.318 682 K HN -0.109 nan 8.250 nan 0.000 0.433 683 V N -0.315 119.565 119.914 -0.058 0.000 2.656 683 V HA 0.689 4.809 4.120 -0.001 0.000 0.307 683 V C -0.742 175.309 176.094 -0.072 0.000 1.051 683 V CA -0.526 61.705 62.300 -0.116 0.000 0.893 683 V CB 1.692 33.437 31.823 -0.131 0.000 0.999 683 V HN 0.700 nan 8.190 nan 0.000 0.426 684 T N 5.933 120.424 114.554 -0.106 0.000 2.786 684 T HA 0.718 5.068 4.350 -0.001 0.000 0.283 684 T C -0.636 173.915 174.700 -0.248 0.000 0.992 684 T CA -0.217 61.781 62.100 -0.170 0.000 0.954 684 T CB 1.198 69.942 68.868 -0.207 0.000 0.934 684 T HN 0.557 nan 8.240 nan 0.000 0.440 685 L N 4.417 125.528 121.223 -0.186 0.000 2.282 685 L HA 0.348 4.688 4.340 -0.001 0.000 0.288 685 L C 0.316 177.029 176.870 -0.261 0.000 1.033 685 L CA -0.461 54.291 54.840 -0.147 0.000 0.807 685 L CB 0.601 42.671 42.059 0.019 0.000 1.209 685 L HN 0.600 nan 8.230 nan 0.000 0.423 686 H N 5.457 124.543 119.070 0.026 0.000 2.741 686 H HA 0.399 4.955 4.556 -0.000 0.000 0.282 686 H C -0.260 175.058 175.328 -0.017 0.000 1.122 686 H CA -0.294 55.761 56.048 0.013 0.000 1.293 686 H CB 0.626 30.400 29.762 0.020 0.000 1.415 686 H HN 0.437 nan 8.280 nan 0.000 0.472 687 L N 4.043 125.307 121.223 0.067 0.000 2.416 687 L HA 0.373 4.713 4.340 -0.001 0.000 0.263 687 L C -1.785 175.104 176.870 0.032 0.000 1.065 687 L CA -2.119 52.734 54.840 0.021 0.000 0.798 687 L CB 0.326 42.379 42.059 -0.010 0.000 1.267 687 L HN 0.302 nan 8.230 nan 0.000 0.467 688 P HA -0.023 nan 4.420 nan 0.000 0.269 688 P C -0.542 176.772 177.300 0.022 0.000 1.211 688 P CA 0.119 63.233 63.100 0.023 0.000 0.781 688 P CB 0.225 31.940 31.700 0.025 0.000 0.877 689 E N 0.425 120.637 120.200 0.020 0.000 2.637 689 E HA -0.270 4.080 4.350 -0.001 0.000 0.265 689 E C 0.908 177.520 176.600 0.021 0.000 1.073 689 E CA 1.026 57.436 56.400 0.017 0.000 0.778 689 E CB -2.501 27.208 29.700 0.014 0.000 1.362 689 E HN 0.983 nan 8.360 nan 0.000 0.413 690 G N -0.136 108.681 108.800 0.028 0.000 2.155 690 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.257 690 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.257 690 G C 0.179 175.108 174.900 0.048 0.000 0.983 690 G CA 0.824 45.946 45.100 0.037 0.000 0.676 690 G HN 0.166 nan 8.290 nan 0.000 0.528 691 K N 0.982 121.408 120.400 0.043 0.000 2.249 691 K HA 0.383 4.703 4.320 -0.001 0.000 0.280 691 K C 0.031 176.665 176.600 0.056 0.000 1.033 691 K CA -0.344 55.967 56.287 0.041 0.000 0.946 691 K CB 0.719 33.235 32.500 0.028 0.000 1.005 691 K HN 0.308 nan 8.250 nan 0.000 0.469 692 N N 2.146 120.872 118.700 0.043 0.000 2.314 692 N HA 0.322 5.062 4.740 -0.001 0.000 0.294 692 N C -1.189 174.328 175.510 0.013 0.000 1.029 692 N CA -0.500 52.555 53.050 0.009 0.000 0.845 692 N CB 1.372 39.853 38.487 -0.011 0.000 1.321 692 N HN 0.362 nan 8.380 nan 0.000 0.481 693 F N 1.719 121.592 119.950 -0.129 0.000 2.444 693 F HA 0.455 4.981 4.527 -0.001 0.000 0.342 693 F C -0.598 175.134 175.800 -0.114 0.000 1.121 693 F CA -0.662 57.265 58.000 -0.121 0.000 0.997 693 F CB 1.098 40.016 39.000 -0.137 0.000 1.130 693 F HN 0.083 nan 8.300 nan 0.000 0.454 694 V N 6.631 126.211 119.914 -0.556 0.000 2.417 694 V HA 0.381 4.501 4.120 -0.001 0.000 0.291 694 V C -0.672 175.246 176.094 -0.292 0.000 1.024 694 V CA -0.851 61.267 62.300 -0.304 0.000 0.861 694 V CB 1.600 33.265 31.823 -0.264 0.000 0.985 694 V HN 0.511 nan 8.190 nan 0.000 0.436 695 V N 4.923 124.831 119.914 -0.010 0.000 2.318 695 V HA 0.402 4.522 4.120 -0.001 0.000 0.271 695 V C 0.393 176.489 176.094 0.002 0.000 1.030 695 V CA -0.249 62.084 62.300 0.056 0.000 0.844 695 V CB 1.419 33.367 31.823 0.208 0.000 1.015 695 V HN 0.994 nan 8.190 nan 0.000 0.460 696 S N 3.741 119.422 115.700 -0.031 0.000 2.525 696 S HA 0.863 5.332 4.470 -0.001 0.000 0.290 696 S C -0.123 174.479 174.600 0.004 0.000 1.152 696 S CA -0.212 57.975 58.200 -0.021 0.000 1.072 696 S CB 2.015 65.189 63.200 -0.045 0.000 1.027 696 S HN 1.190 nan 8.310 nan 0.000 0.500 697 A N 1.732 124.559 122.820 0.011 0.000 3.300 697 A HA 0.756 5.075 4.320 -0.001 0.000 0.300 697 A C 0.924 178.516 177.584 0.012 0.000 1.099 697 A CA -0.208 51.839 52.037 0.016 0.000 0.846 697 A CB -0.242 18.769 19.000 0.018 0.000 1.255 697 A HN 1.370 nan 8.150 nan 0.000 0.519 698 A N 0.954 123.779 122.820 0.009 0.000 2.019 698 A HA -0.052 4.268 4.320 -0.001 0.000 0.219 698 A C 1.207 178.796 177.584 0.009 0.000 1.164 698 A CA 1.845 53.886 52.037 0.008 0.000 0.644 698 A CB -0.228 18.774 19.000 0.004 0.000 0.805 698 A HN 0.674 nan 8.150 nan 0.000 0.449 699 D N -0.927 119.479 120.400 0.010 0.000 2.491 699 D HA 0.082 4.722 4.640 -0.001 0.000 0.228 699 D C -0.005 176.298 176.300 0.005 0.000 1.183 699 D CA -0.614 53.392 54.000 0.009 0.000 0.827 699 D CB -0.784 40.023 40.800 0.013 0.000 0.989 699 D HN 0.118 nan 8.370 nan 0.000 0.494 700 N N 1.075 119.774 118.700 -0.001 0.000 2.479 700 N HA 0.427 5.167 4.740 -0.001 0.000 0.257 700 N C -0.688 174.806 175.510 -0.026 0.000 1.232 700 N CA 0.136 53.175 53.050 -0.019 0.000 0.920 700 N CB 0.973 39.441 38.487 -0.030 0.000 1.105 700 N HN 0.339 nan 8.380 nan 0.000 0.444 701 A N 0.759 123.553 122.820 -0.043 0.000 2.566 701 A HA 0.644 4.963 4.320 -0.001 0.000 0.290 701 A C 0.419 177.964 177.584 -0.065 0.000 1.071 701 A CA -0.059 51.952 52.037 -0.043 0.000 0.658 701 A CB -0.041 18.947 19.000 -0.020 0.000 1.285 701 A HN 0.598 nan 8.150 nan 0.000 0.427 702 A N 0.078 122.862 122.820 -0.061 0.000 1.940 702 A HA -0.025 4.294 4.320 -0.001 0.000 0.219 702 A C 1.044 178.586 177.584 -0.071 0.000 1.176 702 A CA 2.437 54.428 52.037 -0.075 0.000 0.631 702 A CB -0.553 18.413 19.000 -0.056 0.000 0.814 702 A HN 1.097 nan 8.150 nan 0.000 0.446 703 D N -1.635 118.742 120.400 -0.038 0.000 2.463 703 D HA 0.131 4.771 4.640 -0.001 0.000 0.224 703 D C 0.319 176.617 176.300 -0.002 0.000 1.174 703 D CA -0.182 53.809 54.000 -0.016 0.000 0.829 703 D CB -0.280 40.529 40.800 0.015 0.000 0.993 703 D HN 0.355 nan 8.370 nan 0.000 0.497 704 R N 1.164 121.645 120.500 -0.031 0.000 2.983 704 R HA 0.244 4.583 4.340 -0.001 0.000 0.300 704 R C -1.948 174.310 176.300 -0.070 0.000 1.367 704 R CA -1.135 54.961 56.100 -0.005 0.000 1.564 704 R CB 1.224 31.533 30.300 0.014 0.000 1.314 704 R HN 0.068 nan 8.270 nan 0.000 0.622 705 P HA -0.089 nan 4.420 nan 0.000 0.236 705 P C -0.408 176.730 177.300 -0.270 0.000 1.177 705 P CA 0.656 63.570 63.100 -0.311 0.000 0.773 705 P CB 0.303 31.704 31.700 -0.497 0.000 0.878 706 Y N 0.318 120.642 120.300 0.039 0.000 2.310 706 Y HA 0.299 4.849 4.550 -0.000 0.000 0.326 706 Y C 1.341 177.273 175.900 0.052 0.000 1.151 706 Y CA -0.879 57.257 58.100 0.060 0.000 1.195 706 Y CB 0.455 38.949 38.460 0.056 0.000 1.210 706 Y HN -0.266 nan 8.280 nan 0.000 0.483 707 I N 3.966 124.683 120.570 0.247 0.000 2.322 707 I HA 0.213 4.383 4.170 -0.001 0.000 0.292 707 I C 1.351 177.557 176.117 0.148 0.000 1.060 707 I CA -0.054 61.349 61.300 0.172 0.000 1.309 707 I CB 0.999 39.101 38.000 0.169 0.000 1.415 707 I HN 0.715 nan 8.210 nan 0.000 0.492 708 R N 5.854 126.418 120.500 0.106 0.000 2.075 708 R HA 0.092 4.431 4.340 -0.001 0.000 0.226 708 R C 0.493 176.827 176.300 0.057 0.000 1.114 708 R CA 1.093 57.229 56.100 0.060 0.000 0.972 708 R CB 0.403 30.726 30.300 0.038 0.000 0.869 708 R HN 0.587 nan 8.270 nan 0.000 0.437 709 K N -0.929 119.514 120.400 0.072 0.000 2.568 709 K HA 0.508 4.828 4.320 -0.001 0.000 0.273 709 K C -2.191 174.470 176.600 0.101 0.000 0.951 709 K CA -0.678 55.653 56.287 0.073 0.000 0.854 709 K CB 2.187 34.717 32.500 0.049 0.000 1.424 709 K HN 0.114 nan 8.250 nan 0.000 0.427 710 A N 3.456 126.355 122.820 0.132 0.000 2.475 710 A HA 0.727 5.047 4.320 -0.001 0.000 0.301 710 A C -1.699 175.986 177.584 0.169 0.000 1.059 710 A CA -0.805 51.336 52.037 0.174 0.000 0.710 710 A CB 1.137 20.325 19.000 0.313 0.000 1.288 710 A HN 0.547 nan 8.150 nan 0.000 0.408 711 L N 1.875 123.156 121.223 0.098 0.000 2.356 711 L HA 0.525 4.864 4.340 -0.001 0.000 0.277 711 L C -1.085 175.762 176.870 -0.037 0.000 0.996 711 L CA -0.806 54.069 54.840 0.058 0.000 0.822 711 L CB 1.813 43.881 42.059 0.016 0.000 1.256 711 L HN 0.645 nan 8.230 nan 0.000 0.413 712 L N 4.266 125.449 121.223 -0.066 0.000 2.265 712 L HA 0.402 4.742 4.340 -0.001 0.000 0.289 712 L C 0.246 177.054 176.870 -0.104 0.000 1.033 712 L CA 0.208 54.918 54.840 -0.216 0.000 0.814 712 L CB 0.414 42.207 42.059 -0.444 0.000 1.203 712 L HN 0.660 nan 8.230 nan 0.000 0.423 713 N N 4.172 122.797 118.700 -0.125 0.000 2.714 713 N HA -0.211 4.528 4.740 -0.001 0.000 0.252 713 N C 0.924 176.403 175.510 -0.052 0.000 1.014 713 N CA 0.755 53.751 53.050 -0.090 0.000 0.735 713 N CB -1.118 37.332 38.487 -0.061 0.000 0.924 713 N HN 1.210 nan 8.380 nan 0.000 0.540 714 G N -1.918 106.853 108.800 -0.048 0.000 2.179 714 G HA2 -0.346 3.613 3.960 -0.001 0.000 0.260 714 G HA3 -0.346 3.613 3.960 -0.001 0.000 0.260 714 G C -0.181 174.719 174.900 0.001 0.000 0.977 714 G CA 0.495 45.582 45.100 -0.023 0.000 0.641 714 G HN 0.415 nan 8.290 nan 0.000 0.533 715 Q N 0.401 120.210 119.800 0.016 0.000 2.266 715 Q HA 0.447 4.786 4.340 -0.001 0.000 0.261 715 Q C 0.089 176.140 176.000 0.084 0.000 0.985 715 Q CA -0.727 55.102 55.803 0.043 0.000 0.873 715 Q CB 1.598 30.365 28.738 0.049 0.000 1.306 715 Q HN 0.570 nan 8.270 nan 0.000 0.447 716 E N 1.909 122.157 120.200 0.079 0.000 2.465 716 E HA 0.028 4.378 4.350 -0.001 0.000 0.260 716 E C -1.327 175.373 176.600 0.166 0.000 0.980 716 E CA 0.243 56.703 56.400 0.100 0.000 0.927 716 E CB 0.354 30.088 29.700 0.056 0.000 0.934 716 E HN 0.377 nan 8.360 nan 0.000 0.459 717 F N 3.774 123.726 119.950 0.003 0.000 2.536 717 F HA 0.232 4.759 4.527 -0.000 0.000 0.322 717 F C 0.396 176.200 175.800 0.007 0.000 1.144 717 F CA -0.373 57.625 58.000 -0.003 0.000 0.924 717 F CB 1.742 40.742 39.000 -0.001 0.000 1.181 717 F HN 0.378 nan 8.300 nan 0.000 0.438 718 T N 1.292 115.504 114.554 -0.570 0.000 3.058 718 T HA 0.358 4.707 4.350 -0.001 0.000 0.278 718 T C 0.634 175.000 174.700 -0.557 0.000 0.974 718 T CA -0.305 61.548 62.100 -0.411 0.000 0.893 718 T CB -0.076 68.684 68.868 -0.179 0.000 1.138 718 T HN 0.524 nan 8.240 nan 0.000 0.529 719 R N 1.986 121.855 120.500 -1.052 0.000 2.643 719 R HA 0.296 4.635 4.340 -0.001 0.000 0.270 719 R C 0.098 176.135 176.300 -0.438 0.000 1.061 719 R CA -0.295 55.377 56.100 -0.713 0.000 1.107 719 R CB 0.224 30.011 30.300 -0.855 0.000 0.999 719 R HN 0.167 nan 8.270 nan 0.000 0.460 720 N N 2.011 120.694 118.700 -0.027 0.000 2.322 720 N HA 0.040 4.780 4.740 -0.001 0.000 0.216 720 N C -1.090 174.602 175.510 0.304 0.000 1.144 720 N CA 0.225 53.368 53.050 0.154 0.000 0.830 720 N CB 0.062 38.658 38.487 0.182 0.000 1.034 720 N HN 0.469 nan 8.380 nan 0.000 0.484 721 Y N -2.686 117.709 120.300 0.158 0.000 2.592 721 Y HA 0.572 5.121 4.550 -0.001 0.000 0.334 721 Y C -1.572 174.497 175.900 0.281 0.000 1.136 721 Y CA -1.345 56.871 58.100 0.194 0.000 1.042 721 Y CB 0.765 39.288 38.460 0.104 0.000 1.325 721 Y HN -0.283 nan 8.280 nan 0.000 0.457 722 L N 2.767 124.134 121.223 0.240 0.000 2.334 722 L HA 0.673 5.013 4.340 -0.001 0.000 0.273 722 L C 0.246 177.250 176.870 0.223 0.000 1.013 722 L CA -1.011 53.868 54.840 0.066 0.000 0.816 722 L CB 2.473 44.389 42.059 -0.238 0.000 1.278 722 L HN 0.955 nan 8.230 nan 0.000 0.431 723 T N -3.614 111.038 114.554 0.164 0.000 2.882 723 T HA 0.104 4.454 4.350 -0.001 0.000 0.287 723 T C 0.972 175.778 174.700 0.175 0.000 1.014 723 T CA -0.218 62.010 62.100 0.214 0.000 1.049 723 T CB 0.995 69.976 68.868 0.188 0.000 1.001 723 T HN 0.654 nan 8.240 nan 0.000 0.525 724 H N 0.558 119.732 119.070 0.173 0.000 2.387 724 H HA -0.085 4.471 4.556 -0.001 0.000 0.299 724 H C 1.536 176.889 175.328 0.041 0.000 1.099 724 H CA 2.391 58.554 56.048 0.192 0.000 1.315 724 H CB -0.184 29.691 29.762 0.187 0.000 1.380 724 H HN 0.712 nan 8.280 nan 0.000 0.513 725 D N 0.188 120.640 120.400 0.086 0.000 2.117 725 D HA -0.129 4.510 4.640 -0.001 0.000 0.197 725 D C 2.023 178.285 176.300 -0.063 0.000 0.987 725 D CA 1.202 55.208 54.000 0.011 0.000 0.829 725 D CB -0.196 40.639 40.800 0.059 0.000 0.961 725 D HN 0.600 nan 8.370 nan 0.000 0.460 726 E N 0.073 120.228 120.200 -0.074 0.000 2.085 726 E HA -0.136 4.214 4.350 -0.001 0.000 0.194 726 E C 2.325 178.769 176.600 -0.260 0.000 0.994 726 E CA 0.525 56.856 56.400 -0.114 0.000 0.801 726 E CB -0.024 29.603 29.700 -0.121 0.000 0.743 726 E HN 0.261 nan 8.360 nan 0.000 0.453 727 L N 0.801 121.717 121.223 -0.511 0.000 1.988 727 L HA -0.173 4.167 4.340 -0.001 0.000 0.207 727 L C 2.625 179.291 176.870 -0.340 0.000 1.071 727 L CA 1.185 55.557 54.840 -0.779 0.000 0.744 727 L CB -0.359 41.189 42.059 -0.853 0.000 0.893 727 L HN 0.006 nan 8.230 nan 0.000 0.433 728 K N 0.284 120.486 120.400 -0.330 0.000 2.113 728 K HA -0.264 4.056 4.320 -0.001 0.000 0.208 728 K C 2.079 178.634 176.600 -0.075 0.000 1.047 728 K CA 1.946 58.105 56.287 -0.212 0.000 0.928 728 K CB -0.045 32.326 32.500 -0.215 0.000 0.716 728 K HN 0.484 nan 8.250 nan 0.000 0.446 729 Q N -0.382 119.392 119.800 -0.044 0.000 2.472 729 Q HA 0.061 4.400 4.340 -0.001 0.000 0.208 729 Q C 0.481 176.507 176.000 0.044 0.000 0.958 729 Q CA 0.572 56.379 55.803 0.006 0.000 0.932 729 Q CB 0.102 28.846 28.738 0.010 0.000 1.007 729 Q HN 0.249 nan 8.270 nan 0.000 0.508 730 G N -0.807 108.055 108.800 0.104 0.000 2.758 730 G HA2 0.196 4.156 3.960 -0.001 0.000 0.686 730 G HA3 0.196 4.156 3.960 -0.001 0.000 0.686 730 G C 0.065 175.044 174.900 0.132 0.000 1.389 730 G CA -0.432 44.755 45.100 0.144 0.000 0.845 730 G HN 1.088 nan 8.290 nan 0.000 0.572 731 G N -0.555 108.208 108.800 -0.063 0.000 2.291 731 G HA2 0.633 4.592 3.960 -0.001 0.000 0.249 731 G HA3 0.633 4.592 3.960 -0.001 0.000 0.249 731 G C -0.679 173.780 174.900 -0.734 0.000 1.340 731 G CA 0.673 45.615 45.100 -0.263 0.000 1.017 731 G HN 2.031 nan 8.290 nan 0.000 0.470 732 E N -1.117 118.625 120.200 -0.762 0.000 2.321 732 E HA 0.558 4.908 4.350 -0.001 0.000 0.281 732 E C -1.917 174.339 176.600 -0.573 0.000 0.910 732 E CA -0.829 55.096 56.400 -0.793 0.000 0.770 732 E CB 2.046 31.506 29.700 -0.400 0.000 1.225 732 E HN 0.882 nan 8.360 nan 0.000 0.417 733 L N 4.637 125.564 121.223 -0.493 0.000 2.277 733 L HA 0.503 4.843 4.340 -0.001 0.000 0.284 733 L C -1.268 175.537 176.870 -0.109 0.000 1.028 733 L CA -0.398 54.329 54.840 -0.189 0.000 0.835 733 L CB 1.021 43.085 42.059 0.008 0.000 1.215 733 L HN 0.501 nan 8.230 nan 0.000 0.425 734 N N 6.056 124.707 118.700 -0.082 0.000 2.457 734 N HA 0.351 5.091 4.740 -0.001 0.000 0.250 734 N C -1.456 174.062 175.510 0.014 0.000 0.982 734 N CA -0.254 52.772 53.050 -0.040 0.000 0.941 734 N CB 0.566 39.025 38.487 -0.048 0.000 1.120 734 N HN 0.650 nan 8.380 nan 0.000 0.505 735 L N 1.859 123.101 121.223 0.031 0.000 2.295 735 L HA 0.417 4.757 4.340 -0.001 0.000 0.285 735 L C 0.191 177.089 176.870 0.047 0.000 1.035 735 L CA -0.776 54.100 54.840 0.061 0.000 0.806 735 L CB 1.571 43.676 42.059 0.077 0.000 1.214 735 L HN 0.377 nan 8.230 nan 0.000 0.426 736 S N 4.319 120.052 115.700 0.056 0.000 2.410 736 S HA 0.529 4.999 4.470 -0.001 0.000 0.304 736 S C 0.021 174.655 174.600 0.057 0.000 1.095 736 S CA -0.782 57.445 58.200 0.046 0.000 1.089 736 S CB 0.855 64.079 63.200 0.040 0.000 0.968 736 S HN 0.369 nan 8.310 nan 0.000 0.480 737 M N 2.836 122.465 119.600 0.049 0.000 2.291 737 M HA 0.540 5.020 4.480 -0.001 0.000 0.324 737 M C -0.077 176.263 176.300 0.067 0.000 1.148 737 M CA -0.390 54.946 55.300 0.059 0.000 1.104 737 M CB 0.591 33.210 32.600 0.033 0.000 1.483 737 M HN 0.481 nan 8.290 nan 0.000 0.467 738 D N -0.811 119.653 120.400 0.107 0.000 2.609 738 D HA 0.328 4.967 4.640 -0.001 0.000 0.239 738 D C -0.027 176.392 176.300 0.198 0.000 1.229 738 D CA -0.206 53.863 54.000 0.116 0.000 0.808 738 D CB 1.585 42.439 40.800 0.091 0.000 1.448 738 D HN 0.575 nan 8.370 nan 0.000 0.433 739 S N -0.674 115.119 115.700 0.155 0.000 2.548 739 S HA 0.264 4.734 4.470 -0.001 0.000 0.215 739 S C 0.788 175.541 174.600 0.254 0.000 0.976 739 S CA 0.109 58.427 58.200 0.197 0.000 0.908 739 S CB -0.381 62.877 63.200 0.096 0.000 0.781 739 S HN 0.442 nan 8.310 nan 0.000 0.519 740 V N -1.774 118.200 119.914 0.100 0.000 2.823 740 V HA 0.726 4.846 4.120 -0.001 0.000 0.312 740 V C -3.156 172.575 176.094 -0.604 0.000 1.072 740 V CA -3.027 59.140 62.300 -0.221 0.000 0.937 740 V CB 1.785 33.498 31.823 -0.184 0.000 1.013 740 V HN -0.082 nan 8.190 nan 0.000 0.430 741 P HA 0.192 nan 4.420 nan 0.000 0.272 741 P C -0.926 176.015 177.300 -0.598 0.000 1.223 741 P CA -0.005 62.429 63.100 -1.109 0.000 0.784 741 P CB 0.554 31.506 31.700 -1.246 0.000 0.923 742 N N 1.847 120.327 118.700 -0.366 0.000 2.589 742 N HA 0.060 4.800 4.740 -0.001 0.000 0.232 742 N C 0.649 175.935 175.510 -0.374 0.000 1.015 742 N CA -0.062 52.820 53.050 -0.280 0.000 0.931 742 N CB 0.282 38.711 38.487 -0.098 0.000 1.150 742 N HN 0.226 nan 8.380 nan 0.000 0.512 743 Q N 1.448 120.871 119.800 -0.628 0.000 2.482 743 Q HA 0.015 4.355 4.340 -0.001 0.000 0.209 743 Q C 0.468 176.307 176.000 -0.267 0.000 0.961 743 Q CA 0.694 55.978 55.803 -0.865 0.000 0.945 743 Q CB 0.363 28.488 28.738 -1.020 0.000 1.012 743 Q HN 0.692 nan 8.270 nan 0.000 0.515 744 Q N 0.101 119.814 119.800 -0.145 0.000 2.360 744 Q HA 0.090 4.430 4.340 -0.001 0.000 0.202 744 Q C 0.307 176.325 176.000 0.030 0.000 0.915 744 Q CA -0.009 55.773 55.803 -0.034 0.000 0.943 744 Q CB 0.509 29.217 28.738 -0.050 0.000 1.064 744 Q HN 0.084 nan 8.270 nan 0.000 0.511 745 R N -0.248 120.291 120.500 0.064 0.000 2.393 745 R HA 0.372 4.712 4.340 -0.001 0.000 0.310 745 R C 0.118 176.520 176.300 0.169 0.000 0.968 745 R CA 0.451 56.607 56.100 0.093 0.000 0.867 745 R CB 0.786 31.133 30.300 0.078 0.000 1.124 745 R HN 0.220 nan 8.270 nan 0.000 0.450 746 G N 2.546 111.413 108.800 0.111 0.000 2.147 746 G HA2 -0.301 3.659 3.960 -0.001 0.000 0.244 746 G HA3 -0.301 3.659 3.960 -0.001 0.000 0.244 746 G C 0.462 175.513 174.900 0.251 0.000 1.005 746 G CA 0.729 45.912 45.100 0.137 0.000 0.713 746 G HN 0.745 nan 8.290 nan 0.000 0.515 747 T N -3.227 111.459 114.554 0.221 0.000 3.069 747 T HA 0.438 4.788 4.350 -0.001 0.000 0.252 747 T C 0.683 175.492 174.700 0.182 0.000 1.053 747 T CA 0.319 62.605 62.100 0.310 0.000 0.964 747 T CB 0.600 69.642 68.868 0.290 0.000 1.005 747 T HN 0.287 nan 8.240 nan 0.000 0.532 748 Q N 1.354 121.110 119.800 -0.073 0.000 2.214 748 Q HA 0.372 4.712 4.340 -0.001 0.000 0.251 748 Q C -2.038 173.443 176.000 -0.864 0.000 0.936 748 Q CA -2.737 52.895 55.803 -0.285 0.000 0.894 748 Q CB 1.661 30.301 28.738 -0.163 0.000 1.252 748 Q HN 0.011 nan 8.270 nan 0.000 0.448 749 P HA -0.193 nan 4.420 nan 0.000 0.216 749 P C 0.771 177.732 177.300 -0.565 0.000 1.150 749 P CA 2.066 64.657 63.100 -0.849 0.000 0.843 749 P CB 0.190 31.732 31.700 -0.264 0.000 0.787 750 A N -0.309 122.316 122.820 -0.326 0.000 2.070 750 A HA -0.194 4.125 4.320 -0.001 0.000 0.220 750 A C 1.763 179.283 177.584 -0.108 0.000 1.159 750 A CA 1.778 53.725 52.037 -0.150 0.000 0.656 750 A CB -1.095 17.845 19.000 -0.100 0.000 0.800 750 A HN 0.135 nan 8.150 nan 0.000 0.453 751 D N -1.061 119.201 120.400 -0.231 0.000 2.347 751 D HA 0.074 4.714 4.640 -0.001 0.000 0.213 751 D C -0.240 176.204 176.300 0.240 0.000 0.985 751 D CA 0.213 54.181 54.000 -0.054 0.000 0.879 751 D CB -0.095 40.671 40.800 -0.056 0.000 0.919 751 D HN 0.327 nan 8.370 nan 0.000 0.526 752 F N 1.436 121.437 119.950 0.085 0.000 2.399 752 F HA 0.319 4.846 4.527 -0.001 0.000 0.342 752 F C -1.559 174.163 175.800 -0.130 0.000 1.106 752 F CA -3.314 54.667 58.000 -0.031 0.000 1.196 752 F CB -0.226 38.757 39.000 -0.028 0.000 1.163 752 F HN -0.231 nan 8.300 nan 0.000 0.547 753 P HA 0.069 nan 4.420 nan 0.000 0.297 753 P C -0.964 176.246 177.300 -0.150 0.000 1.303 753 P CA -0.445 62.274 63.100 -0.634 0.000 0.753 753 P CB 0.311 31.569 31.700 -0.737 0.000 1.281 754 Y N 0.161 120.380 120.300 -0.135 0.000 2.610 754 Y HA 0.244 4.794 4.550 -0.000 0.000 0.332 754 Y C -0.283 175.736 175.900 0.198 0.000 1.201 754 Y CA 1.199 59.339 58.100 0.067 0.000 1.465 754 Y CB 0.132 38.651 38.460 0.099 0.000 1.283 754 Y HN 0.160 nan 8.280 nan 0.000 0.563 755 S N 5.580 120.909 115.700 -0.618 0.000 2.541 755 S HA 0.092 4.562 4.470 -0.001 0.000 0.280 755 S C -0.242 173.816 174.600 -0.904 0.000 1.112 755 S CA -0.768 57.082 58.200 -0.582 0.000 0.925 755 S CB 0.941 64.037 63.200 -0.174 0.000 1.067 755 S HN 0.774 nan 8.310 nan 0.000 0.479 756 Y N 2.907 122.861 120.300 -0.577 0.000 2.207 756 Y HA -0.158 4.391 4.550 -0.000 0.000 0.287 756 Y C 2.094 177.950 175.900 -0.074 0.000 1.156 756 Y CA 2.135 60.166 58.100 -0.115 0.000 1.182 756 Y CB -0.158 38.468 38.460 0.277 0.000 0.979 756 Y HN 0.604 nan 8.280 nan 0.000 0.521 757 S N -0.032 115.579 115.700 -0.149 0.000 2.436 757 S HA 0.030 4.500 4.470 -0.001 0.000 0.228 757 S C 1.433 175.939 174.600 -0.156 0.000 1.014 757 S CA 0.563 58.671 58.200 -0.154 0.000 0.950 757 S CB -0.542 62.657 63.200 -0.000 0.000 0.784 757 S HN 0.548 nan 8.310 nan 0.000 0.504 758 K N 0.000 120.312 120.400 -0.146 0.000 2.780 758 K HA 0.000 4.320 4.320 -0.001 0.000 0.191 758 K CA 0.000 56.246 56.287 -0.068 0.000 0.838 758 K CB 0.000 32.474 32.500 -0.043 0.000 1.064 758 K HN 0.000 nan 8.250 nan 0.000 0.543