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 3oh8_1_A DATA FIRST_RESID 2 DATA SEQUENCE SLTTSHFIPF PREXVWDWHT RKGAVARLTP PFIPLNPITQ AERLADGTTI DATA SEQUENCE FSLPAGLKWV ARHDLSGFLN GSRFTDVCLT APVKALANWR HVHNFVDQDG DATA SEQUENCE GTLITDSVST RLPASTLTGX FAYRQTQLIE DLKFLSRTST LFDGSPLTVA DATA SEQUENCE ITGSRGLVGR ALTAQLQTGG HEVIQLVRKE PKPGKRFWDP LNPASDLLDG DATA SEQUENCE ADVLVHLAGE XXXXXFNDSH KEAIRESRVL PTKFLAELVA ESTQCTTXIS DATA SEQUENCE ASAVGFYGHD RGDEILTEES ESGDDFLAEV CRDWEHATAP ASDAGKRVAF DATA SEQUENCE IRTGVALSGR GGXLPLLKTL FSXXXGGKFG DGTSWFSWIA IDDLTDIYYR DATA SEQUENCE AIVDAQISGP INAVAPNPVS NADXTKILAT XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XQGAEELALA SQRTAPAALE NLSHTFRYTD IGAAIAHELG YEQLADFAQQ DATA SEQUENCE QEIEAXXXXX XXXXXXXXXX XXXXXXXXXX XXNLEDPEEV EQSILSSILN DATA SEQUENCE FRRKRNDLEH HH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.531 174.600 -0.114 0.000 1.055 2 S CA 0.000 58.139 58.200 -0.101 0.000 1.107 2 S CB 0.000 63.124 63.200 -0.127 0.000 0.593 3 L N 2.628 123.741 121.223 -0.184 0.000 2.588 3 L HA 0.740 5.081 4.340 0.001 0.000 0.263 3 L C -1.719 174.980 176.870 -0.284 0.000 0.935 3 L CA 0.276 54.990 54.840 -0.210 0.000 0.891 3 L CB 2.053 43.978 42.059 -0.223 0.000 1.318 3 L HN 0.219 nan 8.230 nan 0.000 0.409 4 T N 2.734 117.159 114.554 -0.215 0.000 2.812 4 T HA 0.758 5.109 4.350 0.001 0.000 0.282 4 T C -0.795 173.799 174.700 -0.176 0.000 0.990 4 T CA -0.477 61.495 62.100 -0.213 0.000 0.960 4 T CB 1.547 70.332 68.868 -0.139 0.000 0.948 4 T HN 0.695 nan 8.240 nan 0.000 0.438 5 T N 1.509 115.944 114.554 -0.199 0.000 2.942 5 T HA 0.613 4.964 4.350 0.001 0.000 0.327 5 T C -1.307 173.367 174.700 -0.045 0.000 1.360 5 T CA -0.439 61.597 62.100 -0.106 0.000 1.055 5 T CB 1.421 70.219 68.868 -0.116 0.000 1.261 5 T HN 0.481 nan 8.240 nan 0.000 0.485 6 S N 1.731 117.456 115.700 0.041 0.000 2.566 6 S HA 0.806 5.277 4.470 0.001 0.000 0.298 6 S C -1.348 173.358 174.600 0.177 0.000 1.083 6 S CA -0.746 57.486 58.200 0.054 0.000 0.978 6 S CB 1.048 64.232 63.200 -0.027 0.000 1.073 6 S HN 0.949 nan 8.310 nan 0.000 0.491 7 H N -0.801 118.239 119.070 -0.050 0.000 2.996 7 H HA 0.680 5.237 4.556 0.001 0.000 0.368 7 H C -1.590 173.720 175.328 -0.031 0.000 1.185 7 H CA -0.923 55.140 56.048 0.025 0.000 1.160 7 H CB 0.663 30.477 29.762 0.085 0.000 1.820 7 H HN 0.460 nan 8.280 nan 0.000 0.547 8 F N 3.691 123.572 119.950 -0.116 0.000 2.394 8 F HA 0.507 5.034 4.527 0.001 0.000 0.340 8 F C -1.116 174.666 175.800 -0.030 0.000 1.105 8 F CA -1.133 56.762 58.000 -0.175 0.000 1.124 8 F CB 0.829 39.833 39.000 0.007 0.000 1.145 8 F HN 0.513 nan 8.300 nan 0.000 0.505 9 I N 8.217 128.251 120.570 -0.892 0.000 2.389 9 I HA 0.257 4.428 4.170 0.001 0.000 0.288 9 I C -2.193 173.342 176.117 -0.970 0.000 0.999 9 I CA -2.361 58.586 61.300 -0.588 0.000 1.129 9 I CB 1.821 39.691 38.000 -0.215 0.000 1.288 9 I HN 0.410 nan 8.210 nan 0.000 0.444 10 P HA 0.263 nan 4.420 nan 0.000 0.228 10 P C -0.933 175.851 177.300 -0.861 0.000 1.748 10 P CA 0.246 62.941 63.100 -0.674 0.000 0.909 10 P CB -0.457 30.999 31.700 -0.406 0.000 1.882 11 F N 0.048 119.869 119.950 -0.215 0.000 2.613 11 F HA 0.454 4.982 4.527 0.001 0.000 0.310 11 F C -2.296 173.468 175.800 -0.059 0.000 1.085 11 F CA -2.788 55.156 58.000 -0.093 0.000 0.945 11 F CB 1.323 40.277 39.000 -0.077 0.000 1.298 11 F HN -0.243 nan 8.300 nan 0.000 0.455 12 P HA 0.101 nan 4.420 nan 0.000 0.266 12 P C 0.597 177.975 177.300 0.130 0.000 1.195 12 P CA -0.014 63.157 63.100 0.118 0.000 0.768 12 P CB 0.741 32.507 31.700 0.111 0.000 0.838 13 R N 2.698 123.263 120.500 0.107 0.000 2.127 13 R HA -0.151 4.189 4.340 0.001 0.000 0.238 13 R C 0.999 177.379 176.300 0.135 0.000 1.134 13 R CA 1.156 57.335 56.100 0.132 0.000 0.975 13 R CB -0.049 30.310 30.300 0.098 0.000 0.865 13 R HN 0.572 nan 8.270 nan 0.000 0.447 17 W N 2.276 123.576 121.300 -0.001 0.000 2.335 17 W HA -0.188 4.472 4.660 0.001 0.000 0.311 17 W C 1.892 178.431 176.519 0.034 0.000 1.213 17 W CA 2.618 59.830 57.345 -0.222 0.000 1.274 17 W CB -0.261 29.004 29.460 -0.325 0.000 1.148 17 W HN 0.422 nan 8.180 nan 0.000 0.498 18 D N -0.434 120.093 120.400 0.212 0.000 2.133 18 D HA -0.273 4.368 4.640 0.001 0.000 0.195 18 D C 1.849 178.174 176.300 0.043 0.000 0.997 18 D CA 2.177 56.242 54.000 0.109 0.000 0.840 18 D CB -0.891 40.002 40.800 0.154 0.000 0.947 18 D HN 0.332 nan 8.370 nan 0.000 0.452 19 W N 0.772 122.044 121.300 -0.046 0.000 2.342 19 W HA -0.211 4.450 4.660 0.001 0.000 0.297 19 W C 2.186 178.596 176.519 -0.181 0.000 1.213 19 W CA 1.729 59.017 57.345 -0.095 0.000 1.251 19 W CB -0.421 28.989 29.460 -0.084 0.000 1.136 19 W HN 0.162 nan 8.180 nan 0.000 0.526 20 H N -1.354 117.779 119.070 0.104 0.000 2.491 20 H HA -0.077 4.480 4.556 0.001 0.000 0.290 20 H C 2.428 177.475 175.328 -0.469 0.000 1.050 20 H CA 2.088 58.064 56.048 -0.120 0.000 1.309 20 H CB -0.557 29.148 29.762 -0.094 0.000 1.392 20 H HN 0.166 nan 8.280 nan 0.000 0.554 21 T N -1.371 112.942 114.554 -0.403 0.000 3.085 21 T HA 0.044 4.395 4.350 0.001 0.000 0.263 21 T C 1.014 175.534 174.700 -0.300 0.000 1.127 21 T CA -0.095 61.768 62.100 -0.395 0.000 1.103 21 T CB 0.183 68.863 68.868 -0.313 0.000 0.921 21 T HN 0.109 nan 8.240 nan 0.000 0.510 22 R N 1.404 121.704 120.500 -0.333 0.000 2.560 22 R HA 0.465 4.806 4.340 0.001 0.000 0.270 22 R C -0.258 175.855 176.300 -0.311 0.000 1.074 22 R CA -0.780 55.138 56.100 -0.304 0.000 1.140 22 R CB 0.601 30.699 30.300 -0.338 0.000 1.073 22 R HN 0.208 nan 8.270 nan 0.000 0.527 23 K N 0.278 120.540 120.400 -0.230 0.000 2.485 23 K HA 0.057 4.377 4.320 0.001 0.000 0.277 23 K C 1.098 177.557 176.600 -0.235 0.000 0.990 23 K CA 1.326 57.493 56.287 -0.200 0.000 0.994 23 K CB 0.265 32.679 32.500 -0.144 0.000 0.906 23 K HN 0.869 nan 8.250 nan 0.000 0.488 24 G N 0.958 109.634 108.800 -0.208 0.000 2.268 24 G HA2 -0.375 3.585 3.960 0.001 0.000 0.240 24 G HA3 -0.375 3.585 3.960 0.001 0.000 0.240 24 G C 1.172 175.918 174.900 -0.257 0.000 1.010 24 G CA 0.453 45.437 45.100 -0.194 0.000 0.618 24 G HN 0.668 nan 8.290 nan 0.000 0.516 25 A N 0.260 122.823 122.820 -0.429 0.000 1.908 25 A HA 0.228 4.549 4.320 0.001 0.000 0.218 25 A C 2.618 180.123 177.584 -0.133 0.000 1.181 25 A CA 2.903 54.585 52.037 -0.591 0.000 0.627 25 A CB -0.616 17.917 19.000 -0.778 0.000 0.818 25 A HN 1.147 nan 8.150 nan 0.000 0.445 26 V N -0.159 119.720 119.914 -0.058 0.000 2.343 26 V HA -0.253 3.868 4.120 0.001 0.000 0.247 26 V C 3.056 179.224 176.094 0.124 0.000 1.051 26 V CA 1.943 64.300 62.300 0.095 0.000 1.036 26 V CB -1.303 30.549 31.823 0.048 0.000 0.654 26 V HN 0.626 nan 8.190 nan 0.000 0.451 27 A N 0.039 122.880 122.820 0.035 0.000 1.908 27 A HA -0.209 4.112 4.320 0.001 0.000 0.218 27 A C 2.339 180.006 177.584 0.137 0.000 1.181 27 A CA 1.558 53.631 52.037 0.061 0.000 0.627 27 A CB -0.462 18.539 19.000 0.003 0.000 0.818 27 A HN 0.408 nan 8.150 nan 0.000 0.445 28 R N -0.220 120.372 120.500 0.152 0.000 2.091 28 R HA -0.047 4.293 4.340 0.001 0.000 0.238 28 R C 1.758 178.276 176.300 0.364 0.000 1.136 28 R CA 1.261 57.519 56.100 0.265 0.000 0.959 28 R CB -0.911 29.597 30.300 0.347 0.000 0.856 28 R HN 0.596 nan 8.270 nan 0.000 0.437 29 L N 0.650 122.097 121.223 0.373 0.000 2.592 29 L HA 0.101 4.442 4.340 0.001 0.000 0.227 29 L C 0.257 177.362 176.870 0.392 0.000 1.127 29 L CA 0.019 55.106 54.840 0.411 0.000 0.884 29 L CB -0.131 42.176 42.059 0.413 0.000 1.065 29 L HN -0.060 nan 8.230 nan 0.000 0.457 30 T N 2.597 117.317 114.554 0.277 0.000 2.799 30 T HA 0.160 4.510 4.350 0.001 0.000 0.296 30 T C -2.272 172.317 174.700 -0.185 0.000 0.947 30 T CA -0.878 61.283 62.100 0.102 0.000 1.141 30 T CB 0.733 69.684 68.868 0.140 0.000 0.891 30 T HN -0.084 nan 8.240 nan 0.000 0.533 31 P HA 0.168 nan 4.420 nan 0.000 0.267 31 P C -1.957 174.688 177.300 -1.092 0.000 1.209 31 P CA -1.442 60.861 63.100 -1.329 0.000 0.763 31 P CB 0.318 31.092 31.700 -1.542 0.000 0.816 32 P HA -0.077 nan 4.420 nan 0.000 0.226 32 P C 0.506 177.588 177.300 -0.364 0.000 1.153 32 P CA 1.055 63.868 63.100 -0.478 0.000 0.777 32 P CB -0.346 31.185 31.700 -0.281 0.000 0.794 33 F N -2.532 117.234 119.950 -0.307 0.000 2.693 33 F HA 0.407 4.934 4.527 0.001 0.000 0.303 33 F C 0.473 176.171 175.800 -0.169 0.000 1.097 33 F CA -0.733 57.136 58.000 -0.219 0.000 1.330 33 F CB -0.616 38.237 39.000 -0.245 0.000 1.067 33 F HN -0.268 nan 8.300 nan 0.000 0.565 34 I N 3.538 123.880 120.570 -0.380 0.000 2.436 34 I HA 0.286 4.456 4.170 0.001 0.000 0.289 34 I C -2.119 173.877 176.117 -0.201 0.000 1.010 34 I CA -2.319 58.834 61.300 -0.245 0.000 1.098 34 I CB 2.266 40.064 38.000 -0.337 0.000 1.266 34 I HN -0.239 nan 8.210 nan 0.000 0.434 35 P HA 0.125 nan 4.420 nan 0.000 0.232 35 P C -0.720 176.540 177.300 -0.067 0.000 1.738 35 P CA -0.027 63.025 63.100 -0.081 0.000 0.948 35 P CB 0.019 31.687 31.700 -0.054 0.000 1.943 36 L N 1.709 122.887 121.223 -0.075 0.000 2.362 36 L HA 0.496 4.837 4.340 0.001 0.000 0.275 36 L C -0.822 176.117 176.870 0.116 0.000 0.998 36 L CA -0.415 54.431 54.840 0.009 0.000 0.820 36 L CB 1.724 43.718 42.059 -0.109 0.000 1.270 36 L HN -0.088 nan 8.230 nan 0.000 0.415 37 N N 5.193 124.024 118.700 0.218 0.000 2.454 37 N HA 0.441 5.182 4.740 0.001 0.000 0.291 37 N C -2.798 172.772 175.510 0.100 0.000 1.079 37 N CA -1.151 51.995 53.050 0.160 0.000 0.893 37 N CB 2.344 40.863 38.487 0.054 0.000 1.512 37 N HN 0.366 nan 8.380 nan 0.000 0.497 38 P HA 0.062 nan 4.420 nan 0.000 0.266 38 P C 0.281 177.418 177.300 -0.271 0.000 1.215 38 P CA 0.046 62.829 63.100 -0.529 0.000 0.763 38 P CB 0.556 31.936 31.700 -0.534 0.000 0.806 39 I N 1.005 121.422 120.570 -0.255 0.000 4.070 39 I HA 0.157 4.327 4.170 0.001 0.000 0.328 39 I C 0.587 176.611 176.117 -0.156 0.000 1.298 39 I CA -0.043 61.168 61.300 -0.147 0.000 1.173 39 I CB 0.101 38.052 38.000 -0.082 0.000 1.051 39 I HN 0.233 nan 8.210 nan 0.000 0.409 40 T N -0.877 113.546 114.554 -0.219 0.000 2.907 40 T HA 0.542 4.893 4.350 0.001 0.000 0.290 40 T C -0.682 173.889 174.700 -0.216 0.000 1.066 40 T CA -0.602 61.387 62.100 -0.185 0.000 1.012 40 T CB 2.545 71.317 68.868 -0.161 0.000 1.184 40 T HN 0.141 nan 8.240 nan 0.000 0.522 41 Q N 1.011 120.711 119.800 -0.167 0.000 2.381 41 Q HA 0.656 4.996 4.340 0.001 0.000 0.263 41 Q C -0.473 175.441 176.000 -0.143 0.000 1.030 41 Q CA -0.449 55.257 55.803 -0.161 0.000 0.772 41 Q CB 0.985 29.642 28.738 -0.135 0.000 1.232 41 Q HN 1.062 nan 8.270 nan 0.000 0.476 42 A N 3.545 126.273 122.820 -0.153 0.000 2.524 42 A HA 0.064 4.385 4.320 0.001 0.000 0.250 42 A C 0.952 178.483 177.584 -0.088 0.000 1.078 42 A CA 0.256 52.222 52.037 -0.118 0.000 0.761 42 A CB 0.218 19.137 19.000 -0.136 0.000 1.012 42 A HN 1.040 nan 8.150 nan 0.000 0.500 43 E N 1.989 122.141 120.200 -0.080 0.000 2.077 43 E HA -0.144 4.207 4.350 0.001 0.000 0.193 43 E C 0.400 176.941 176.600 -0.097 0.000 0.989 43 E CA 1.101 57.451 56.400 -0.084 0.000 0.800 43 E CB 0.117 29.774 29.700 -0.072 0.000 0.746 43 E HN 0.734 nan 8.360 nan 0.000 0.452 44 R N -1.064 119.383 120.500 -0.088 0.000 2.774 44 R HA 0.330 4.670 4.340 0.001 0.000 0.272 44 R C 0.737 176.918 176.300 -0.198 0.000 1.000 44 R CA -0.532 55.480 56.100 -0.147 0.000 0.906 44 R CB 1.070 31.278 30.300 -0.154 0.000 1.227 44 R HN -0.019 nan 8.270 nan 0.000 0.468 45 L N 0.939 121.921 121.223 -0.402 0.000 2.217 45 L HA -0.033 4.307 4.340 0.001 0.000 0.211 45 L C 2.129 178.652 176.870 -0.578 0.000 1.107 45 L CA 1.360 55.733 54.840 -0.779 0.000 0.783 45 L CB -0.388 41.194 42.059 -0.795 0.000 0.919 45 L HN 0.835 nan 8.230 nan 0.000 0.442 46 A N 0.360 122.779 122.820 -0.669 0.000 1.873 46 A HA -0.126 4.195 4.320 0.001 0.000 0.215 46 A C 0.826 178.267 177.584 -0.238 0.000 1.186 46 A CA 1.915 53.391 52.037 -0.935 0.000 0.616 46 A CB -0.261 17.931 19.000 -1.347 0.000 0.823 46 A HN 0.558 nan 8.150 nan 0.000 0.442 47 D N -4.882 115.446 120.400 -0.119 0.000 2.867 47 D HA 0.506 5.147 4.640 0.001 0.000 0.308 47 D C 0.147 176.492 176.300 0.074 0.000 1.202 47 D CA -0.032 53.987 54.000 0.031 0.000 1.035 47 D CB 0.099 40.884 40.800 -0.026 0.000 1.427 47 D HN 1.319 nan 8.370 nan 0.000 0.570 48 G N -1.202 107.607 108.800 0.015 0.000 2.705 48 G HA2 0.431 4.391 3.960 0.001 0.000 0.686 48 G HA3 0.431 4.391 3.960 0.001 0.000 0.686 48 G C -0.167 174.668 174.900 -0.109 0.000 1.285 48 G CA -0.244 44.837 45.100 -0.032 0.000 0.800 48 G HN 1.279 nan 8.290 nan 0.000 0.611 49 T N -1.251 113.223 114.554 -0.134 0.000 2.940 49 T HA 0.849 5.200 4.350 0.001 0.000 0.288 49 T C 0.086 174.651 174.700 -0.226 0.000 1.033 49 T CA 0.297 62.283 62.100 -0.190 0.000 1.033 49 T CB 2.305 71.091 68.868 -0.136 0.000 1.079 49 T HN 1.185 nan 8.240 nan 0.000 0.496 50 T N 3.503 117.896 114.554 -0.268 0.000 2.848 50 T HA 0.543 4.893 4.350 0.001 0.000 0.285 50 T C -0.501 174.029 174.700 -0.283 0.000 0.995 50 T CA -0.723 61.195 62.100 -0.304 0.000 0.970 50 T CB 0.754 69.413 68.868 -0.348 0.000 0.976 50 T HN 0.584 nan 8.240 nan 0.000 0.441 51 I N 3.529 123.927 120.570 -0.287 0.000 2.336 51 I HA 0.445 4.615 4.170 0.001 0.000 0.292 51 I C -0.618 175.356 176.117 -0.239 0.000 0.991 51 I CA -0.683 60.517 61.300 -0.167 0.000 1.227 51 I CB 0.651 38.588 38.000 -0.104 0.000 1.366 51 I HN 0.543 nan 8.210 nan 0.000 0.466 52 F N 3.294 123.236 119.950 -0.014 0.000 2.443 52 F HA 0.339 4.867 4.527 0.001 0.000 0.335 52 F C 0.901 176.745 175.800 0.073 0.000 1.104 52 F CA -0.632 57.408 58.000 0.066 0.000 1.013 52 F CB 1.766 40.893 39.000 0.211 0.000 1.136 52 F HN 0.448 nan 8.300 nan 0.000 0.470 53 S N 3.606 119.426 115.700 0.200 0.000 2.565 53 S HA 0.777 5.248 4.470 0.001 0.000 0.274 53 S C -0.672 174.007 174.600 0.131 0.000 1.309 53 S CA -0.626 57.651 58.200 0.129 0.000 1.043 53 S CB 0.918 64.158 63.200 0.066 0.000 0.939 53 S HN 0.615 nan 8.310 nan 0.000 0.504 54 L N 1.468 122.743 121.223 0.086 0.000 2.257 54 L HA 0.639 4.979 4.340 0.001 0.000 0.257 54 L C -2.421 174.460 176.870 0.018 0.000 1.033 54 L CA -2.933 51.929 54.840 0.037 0.000 0.835 54 L CB 2.085 44.157 42.059 0.021 0.000 1.398 54 L HN 0.470 nan 8.230 nan 0.000 0.429 55 P HA 0.258 nan 4.420 nan 0.000 0.274 55 P C -0.626 176.676 177.300 0.004 0.000 1.237 55 P CA -0.032 63.068 63.100 -0.001 0.000 0.793 55 P CB 0.916 32.609 31.700 -0.011 0.000 0.977 56 A N 1.625 124.449 122.820 0.007 0.000 3.002 56 A HA 0.089 4.410 4.320 0.001 0.000 0.272 56 A C 1.385 178.978 177.584 0.013 0.000 1.421 56 A CA 1.115 53.157 52.037 0.008 0.000 0.766 56 A CB -2.460 16.542 19.000 0.005 0.000 1.034 56 A HN 1.160 nan 8.150 nan 0.000 0.541 57 G N -2.438 106.372 108.800 0.017 0.000 2.196 57 G HA2 -0.289 3.672 3.960 0.001 0.000 0.268 57 G HA3 -0.289 3.672 3.960 0.001 0.000 0.268 57 G C 0.391 175.308 174.900 0.029 0.000 0.975 57 G CA 0.936 46.048 45.100 0.021 0.000 0.648 57 G HN 1.519 nan 8.290 nan 0.000 0.538 58 L N -0.572 120.670 121.223 0.031 0.000 2.472 58 L HA 0.559 4.900 4.340 0.001 0.000 0.260 58 L C 0.788 177.700 176.870 0.070 0.000 1.209 58 L CA 0.052 54.918 54.840 0.044 0.000 0.817 58 L CB 0.725 42.804 42.059 0.034 0.000 1.106 58 L HN 0.095 nan 8.230 nan 0.000 0.479 59 K N 0.575 121.033 120.400 0.098 0.000 2.502 59 K HA 0.299 4.620 4.320 0.001 0.000 0.257 59 K C -1.778 174.965 176.600 0.239 0.000 0.938 59 K CA -0.706 55.670 56.287 0.148 0.000 0.819 59 K CB 2.531 35.092 32.500 0.102 0.000 1.333 59 K HN 0.366 nan 8.250 nan 0.000 0.434 60 W N 3.321 124.662 121.300 0.068 0.000 2.417 60 W HA 0.406 5.067 4.660 0.001 0.000 0.315 60 W C -1.262 175.338 176.519 0.134 0.000 1.045 60 W CA -0.794 56.584 57.345 0.054 0.000 1.221 60 W CB 1.128 30.563 29.460 -0.043 0.000 1.309 60 W HN 0.163 nan 8.180 nan 0.000 0.453 61 V N 7.356 127.163 119.914 -0.179 0.000 2.304 61 V HA 0.595 4.715 4.120 0.001 0.000 0.269 61 V C 0.530 176.291 176.094 -0.554 0.000 1.036 61 V CA -0.750 61.395 62.300 -0.258 0.000 0.840 61 V CB -0.119 31.643 31.823 -0.100 0.000 1.036 61 V HN 0.672 nan 8.190 nan 0.000 0.466 62 A N 5.787 128.226 122.820 -0.635 0.000 2.303 62 A HA 0.882 5.203 4.320 0.001 0.000 0.317 62 A C -0.024 177.377 177.584 -0.305 0.000 1.149 62 A CA -0.678 50.978 52.037 -0.635 0.000 0.822 62 A CB 0.967 19.538 19.000 -0.716 0.000 1.131 62 A HN 0.765 nan 8.150 nan 0.000 0.493 63 R N 0.419 120.813 120.500 -0.177 0.000 2.621 63 R HA 0.400 4.741 4.340 0.001 0.000 0.284 63 R C -1.272 175.031 176.300 0.004 0.000 0.998 63 R CA -0.546 55.489 56.100 -0.107 0.000 0.895 63 R CB 1.283 31.567 30.300 -0.027 0.000 1.195 63 R HN 1.008 nan 8.270 nan 0.000 0.450 64 H N 0.847 119.961 119.070 0.074 0.000 2.610 64 H HA 0.061 4.618 4.556 0.001 0.000 0.336 64 H C -0.628 174.775 175.328 0.124 0.000 1.087 64 H CA -0.332 55.798 56.048 0.136 0.000 1.405 64 H CB 1.169 30.982 29.762 0.085 0.000 1.460 64 H HN 0.346 nan 8.280 nan 0.000 0.538 65 D N 3.551 124.143 120.400 0.320 0.000 2.329 65 D HA -0.003 4.638 4.640 0.001 0.000 0.232 65 D C 0.900 177.334 176.300 0.224 0.000 1.088 65 D CA -0.256 53.880 54.000 0.227 0.000 0.835 65 D CB 0.967 41.898 40.800 0.218 0.000 1.078 65 D HN 0.469 nan 8.370 nan 0.000 0.495 66 L N 3.352 124.671 121.223 0.159 0.000 2.079 66 L HA -0.204 4.137 4.340 0.001 0.000 0.210 66 L C 1.921 178.914 176.870 0.206 0.000 1.081 66 L CA 1.681 56.611 54.840 0.151 0.000 0.752 66 L CB -0.253 41.858 42.059 0.087 0.000 0.896 66 L HN 0.475 nan 8.230 nan 0.000 0.433 67 S N -1.323 114.477 115.700 0.166 0.000 2.474 67 S HA -0.058 4.412 4.470 0.001 0.000 0.235 67 S C 1.465 176.166 174.600 0.168 0.000 0.997 67 S CA 0.711 58.999 58.200 0.147 0.000 0.949 67 S CB -0.352 62.915 63.200 0.111 0.000 0.766 67 S HN 0.471 nan 8.310 nan 0.000 0.517 68 G N 0.263 109.193 108.800 0.218 0.000 3.707 68 G HA2 0.449 4.410 3.960 0.001 0.000 0.286 68 G HA3 0.449 4.410 3.960 0.001 0.000 0.286 68 G C -0.581 174.508 174.900 0.316 0.000 1.112 68 G CA -0.531 44.702 45.100 0.222 0.000 0.861 68 G HN 0.436 nan 8.290 nan 0.000 0.534 69 F N 0.976 121.021 119.950 0.158 0.000 2.482 69 F HA 0.767 5.294 4.527 0.001 0.000 0.331 69 F C -1.328 174.549 175.800 0.128 0.000 1.115 69 F CA -1.856 56.258 58.000 0.190 0.000 0.955 69 F CB 2.118 41.225 39.000 0.177 0.000 1.136 69 F HN -0.077 nan 8.300 nan 0.000 0.452 70 L N 6.968 127.786 121.223 -0.676 0.000 2.441 70 L HA 0.354 4.694 4.340 0.001 0.000 0.270 70 L C -0.735 175.483 176.870 -1.087 0.000 0.973 70 L CA -0.482 53.958 54.840 -0.666 0.000 0.842 70 L CB 1.377 43.254 42.059 -0.304 0.000 1.239 70 L HN 0.736 nan 8.230 nan 0.000 0.406 71 N N 3.828 121.906 118.700 -1.038 0.000 2.315 71 N HA 0.130 4.871 4.740 0.001 0.000 0.270 71 N C 1.082 175.981 175.510 -1.018 0.000 1.329 71 N CA 1.435 53.996 53.050 -0.815 0.000 0.860 71 N CB 0.430 38.803 38.487 -0.191 0.000 1.095 71 N HN 1.039 nan 8.380 nan 0.000 0.487 72 G N 1.954 109.531 108.800 -2.038 0.000 2.179 72 G HA2 -0.269 3.692 3.960 0.001 0.000 0.260 72 G HA3 -0.269 3.692 3.960 0.001 0.000 0.260 72 G C 0.586 174.654 174.900 -1.388 0.000 0.977 72 G CA 0.519 44.293 45.100 -2.210 0.000 0.641 72 G HN 0.614 nan 8.290 nan 0.000 0.533 73 S N -1.333 113.753 115.700 -1.024 0.000 2.691 73 S HA 0.392 4.863 4.470 0.001 0.000 0.258 73 S C 0.567 175.255 174.600 0.147 0.000 1.078 73 S CA 0.677 58.718 58.200 -0.265 0.000 1.000 73 S CB 1.080 64.150 63.200 -0.217 0.000 0.942 73 S HN 0.750 nan 8.310 nan 0.000 0.521 74 R N 0.508 121.071 120.500 0.106 0.000 2.561 74 R HA 0.479 4.820 4.340 0.001 0.000 0.266 74 R C -2.121 174.481 176.300 0.504 0.000 1.091 74 R CA -0.605 55.695 56.100 0.333 0.000 0.927 74 R CB 1.135 31.506 30.300 0.118 0.000 1.240 74 R HN 0.220 nan 8.270 nan 0.000 0.449 75 F N -0.517 119.713 119.950 0.467 0.000 2.629 75 F HA 0.762 5.290 4.527 0.001 0.000 0.316 75 F C -1.442 174.580 175.800 0.369 0.000 1.081 75 F CA -0.780 57.457 58.000 0.396 0.000 0.954 75 F CB 2.401 41.544 39.000 0.239 0.000 1.337 75 F HN 0.230 nan 8.300 nan 0.000 0.474 76 T N 1.372 116.221 114.554 0.493 0.000 2.921 76 T HA 0.346 4.697 4.350 0.001 0.000 0.297 76 T C -1.714 173.314 174.700 0.547 0.000 1.013 76 T CA -0.710 61.631 62.100 0.402 0.000 0.990 76 T CB 1.527 70.570 68.868 0.291 0.000 1.023 76 T HN 0.526 nan 8.240 nan 0.000 0.447 77 D N 2.499 123.234 120.400 0.559 0.000 2.168 77 D HA 0.542 5.183 4.640 0.001 0.000 0.246 77 D C -0.087 176.497 176.300 0.474 0.000 1.050 77 D CA -0.278 54.066 54.000 0.574 0.000 0.857 77 D CB 2.038 43.258 40.800 0.700 0.000 1.169 77 D HN 0.435 nan 8.370 nan 0.000 0.453 78 V N -1.219 118.910 119.914 0.359 0.000 2.925 78 V HA 0.615 4.736 4.120 0.001 0.000 0.311 78 V C -0.811 175.452 176.094 0.281 0.000 1.104 78 V CA -0.895 61.608 62.300 0.338 0.000 0.954 78 V CB 1.736 33.698 31.823 0.233 0.000 1.022 78 V HN 0.695 nan 8.190 nan 0.000 0.427 79 C N 5.665 125.200 119.300 0.391 0.000 2.408 79 C HA 0.785 5.246 4.460 0.001 0.000 0.321 79 C C 1.018 176.170 174.990 0.269 0.000 1.245 79 C CA -0.090 59.126 59.018 0.330 0.000 1.523 79 C CB 0.632 28.785 27.740 0.687 0.000 2.178 79 C HN 1.213 nan 8.230 nan 0.000 0.488 80 L N 4.470 125.800 121.223 0.178 0.000 2.515 80 L HA 0.421 4.762 4.340 0.001 0.000 0.223 80 L C 0.905 177.858 176.870 0.138 0.000 1.079 80 L CA 0.646 55.571 54.840 0.142 0.000 0.857 80 L CB -0.893 41.225 42.059 0.098 0.000 1.050 80 L HN 0.680 nan 8.230 nan 0.000 0.476 81 T N -1.498 113.148 114.554 0.153 0.000 2.945 81 T HA 0.814 5.164 4.350 0.001 0.000 0.286 81 T C -0.016 174.791 174.700 0.179 0.000 1.025 81 T CA -0.170 62.013 62.100 0.139 0.000 1.039 81 T CB 1.951 70.886 68.868 0.111 0.000 1.068 81 T HN 0.287 nan 8.240 nan 0.000 0.497 82 A N 2.447 125.344 122.820 0.128 0.000 2.937 82 A HA 0.596 4.917 4.320 0.001 0.000 0.338 82 A C -1.510 176.119 177.584 0.075 0.000 1.273 82 A CA -1.455 50.644 52.037 0.104 0.000 0.937 82 A CB -0.335 18.710 19.000 0.075 0.000 1.133 82 A HN 0.680 nan 8.150 nan 0.000 0.491 83 P HA -0.078 nan 4.420 nan 0.000 0.216 83 P C 0.400 177.704 177.300 0.006 0.000 1.150 83 P CA 1.798 64.933 63.100 0.058 0.000 0.837 83 P CB -0.080 31.673 31.700 0.089 0.000 0.786 84 V N -5.986 113.907 119.914 -0.035 0.000 2.971 84 V HA 0.379 4.500 4.120 0.001 0.000 0.309 84 V C 0.970 177.035 176.094 -0.050 0.000 1.130 84 V CA -1.117 61.153 62.300 -0.050 0.000 0.964 84 V CB 2.356 34.126 31.823 -0.088 0.000 1.029 84 V HN -0.278 nan 8.190 nan 0.000 0.427 85 K N 1.814 122.199 120.400 -0.025 0.000 2.103 85 K HA -0.113 4.207 4.320 0.001 0.000 0.207 85 K C 2.103 178.695 176.600 -0.014 0.000 1.048 85 K CA 1.872 58.156 56.287 -0.005 0.000 0.930 85 K CB -0.306 32.197 32.500 0.005 0.000 0.716 85 K HN 0.976 nan 8.250 nan 0.000 0.444 86 A N 0.776 123.567 122.820 -0.049 0.000 1.972 86 A HA -0.118 4.203 4.320 0.001 0.000 0.219 86 A C 1.738 179.257 177.584 -0.108 0.000 1.169 86 A CA 1.084 53.087 52.037 -0.056 0.000 0.635 86 A CB -0.087 18.863 19.000 -0.084 0.000 0.810 86 A HN 0.201 nan 8.150 nan 0.000 0.446 87 L N -1.224 119.861 121.223 -0.230 0.000 2.818 87 L HA 0.549 4.890 4.340 0.001 0.000 0.243 87 L C 0.621 177.355 176.870 -0.227 0.000 1.185 87 L CA 0.275 54.815 54.840 -0.499 0.000 0.988 87 L CB -0.317 41.198 42.059 -0.906 0.000 1.292 87 L HN 0.314 nan 8.230 nan 0.000 0.519 88 A N -0.931 121.901 122.820 0.019 0.000 2.322 88 A HA 0.532 4.853 4.320 0.001 0.000 0.327 88 A C 0.607 178.326 177.584 0.226 0.000 1.134 88 A CA -0.213 51.918 52.037 0.158 0.000 0.831 88 A CB 0.549 19.613 19.000 0.108 0.000 1.288 88 A HN 0.267 nan 8.150 nan 0.000 0.472 89 N N -0.701 118.145 118.700 0.244 0.000 2.735 89 N HA -0.138 4.602 4.740 0.001 0.000 0.248 89 N C -0.590 175.082 175.510 0.270 0.000 1.083 89 N CA 1.243 54.420 53.050 0.212 0.000 0.703 89 N CB -0.789 37.780 38.487 0.136 0.000 1.005 89 N HN 0.689 nan 8.380 nan 0.000 0.550 90 W N 1.251 122.652 121.300 0.168 0.000 2.361 90 W HA 0.558 5.218 4.660 0.001 0.000 0.309 90 W C -0.304 176.351 176.519 0.225 0.000 1.122 90 W CA -0.700 56.761 57.345 0.193 0.000 1.208 90 W CB 0.772 30.395 29.460 0.272 0.000 1.246 90 W HN 0.122 nan 8.180 nan 0.000 0.490 91 R N 4.888 125.258 120.500 -0.216 0.000 2.500 91 R HA 0.134 4.475 4.340 0.001 0.000 0.299 91 R C -1.457 174.699 176.300 -0.241 0.000 1.038 91 R CA -0.514 55.536 56.100 -0.082 0.000 0.903 91 R CB 0.780 31.080 30.300 -0.000 0.000 1.177 91 R HN 0.449 nan 8.270 nan 0.000 0.455 92 H N 4.389 123.371 119.070 -0.147 0.000 2.685 92 H HA 0.325 4.881 4.556 0.001 0.000 0.307 92 H C -1.279 174.007 175.328 -0.070 0.000 1.017 92 H CA -0.551 55.406 56.048 -0.152 0.000 1.237 92 H CB 1.017 30.875 29.762 0.161 0.000 1.409 92 H HN 0.239 nan 8.280 nan 0.000 0.488 93 V N 6.970 126.968 119.914 0.140 0.000 2.432 93 V HA 0.190 4.310 4.120 0.001 0.000 0.275 93 V C 0.228 176.230 176.094 -0.152 0.000 1.043 93 V CA -0.561 61.751 62.300 0.020 0.000 0.925 93 V CB 0.830 32.657 31.823 0.007 0.000 0.985 93 V HN 0.770 nan 8.190 nan 0.000 0.466 94 H N 4.604 123.500 119.070 -0.290 0.000 2.595 94 H HA 0.357 4.914 4.556 0.001 0.000 0.313 94 H C -0.448 174.704 175.328 -0.293 0.000 1.023 94 H CA -0.371 55.415 56.048 -0.436 0.000 1.218 94 H CB 1.398 30.598 29.762 -0.937 0.000 1.403 94 H HN 0.586 nan 8.280 nan 0.000 0.477 95 N N 3.537 122.093 118.700 -0.239 0.000 2.362 95 N HA 0.214 4.954 4.740 0.001 0.000 0.298 95 N C -1.448 173.883 175.510 -0.298 0.000 1.048 95 N CA -0.507 52.478 53.050 -0.109 0.000 0.858 95 N CB 1.317 39.758 38.487 -0.076 0.000 1.218 95 N HN 0.252 nan 8.380 nan 0.000 0.488 96 F N 2.524 122.484 119.950 0.016 0.000 2.460 96 F HA 0.330 4.857 4.527 0.001 0.000 0.341 96 F C 0.390 176.173 175.800 -0.028 0.000 1.130 96 F CA -0.813 57.193 58.000 0.011 0.000 0.962 96 F CB 1.418 40.481 39.000 0.106 0.000 1.171 96 F HN 0.072 nan 8.300 nan 0.000 0.436 97 V N -1.294 118.674 119.914 0.090 0.000 2.960 97 V HA 0.631 4.751 4.120 0.001 0.000 0.315 97 V C -0.430 175.699 176.094 0.057 0.000 1.087 97 V CA -1.033 61.298 62.300 0.052 0.000 0.982 97 V CB 1.936 33.767 31.823 0.012 0.000 1.039 97 V HN 0.477 nan 8.190 nan 0.000 0.437 98 D N 2.050 122.480 120.400 0.050 0.000 2.382 98 D HA 0.427 5.067 4.640 0.001 0.000 0.245 98 D C -0.383 175.968 176.300 0.085 0.000 1.120 98 D CA 0.622 54.661 54.000 0.065 0.000 0.890 98 D CB 1.484 42.312 40.800 0.046 0.000 1.201 98 D HN 0.726 nan 8.370 nan 0.000 0.433 99 Q N 1.914 121.800 119.800 0.143 0.000 2.483 99 Q HA 0.133 4.474 4.340 0.001 0.000 0.245 99 Q C -1.460 174.687 176.000 0.245 0.000 0.902 99 Q CA -0.433 55.488 55.803 0.197 0.000 0.767 99 Q CB 0.394 29.292 28.738 0.266 0.000 1.341 99 Q HN 0.264 nan 8.270 nan 0.000 0.453 100 D N 3.608 124.086 120.400 0.130 0.000 2.708 100 D HA -0.228 4.412 4.640 0.001 0.000 0.236 100 D C 0.770 177.149 176.300 0.131 0.000 1.146 100 D CA 1.966 56.024 54.000 0.095 0.000 0.662 100 D CB -1.159 39.661 40.800 0.032 0.000 1.059 100 D HN 1.110 nan 8.370 nan 0.000 0.428 101 G N -1.833 107.037 108.800 0.116 0.000 2.234 101 G HA2 -0.229 3.731 3.960 0.001 0.000 0.260 101 G HA3 -0.229 3.731 3.960 0.001 0.000 0.260 101 G C 0.744 175.709 174.900 0.107 0.000 0.987 101 G CA 0.736 45.893 45.100 0.094 0.000 0.625 101 G HN 0.939 nan 8.290 nan 0.000 0.532 102 G N -1.303 107.613 108.800 0.192 0.000 2.857 102 G HA2 0.669 4.630 3.960 0.001 0.000 0.217 102 G HA3 0.669 4.630 3.960 0.001 0.000 0.217 102 G C -0.501 174.422 174.900 0.038 0.000 1.357 102 G CA 0.564 45.700 45.100 0.059 0.000 1.033 102 G HN 0.754 nan 8.290 nan 0.000 0.571 103 T N 0.143 114.581 114.554 -0.193 0.000 2.886 103 T HA 0.460 4.811 4.350 0.001 0.000 0.292 103 T C -1.304 173.301 174.700 -0.159 0.000 1.012 103 T CA -0.242 61.812 62.100 -0.078 0.000 0.982 103 T CB 1.809 70.682 68.868 0.008 0.000 1.018 103 T HN 0.399 nan 8.240 nan 0.000 0.451 104 L N 4.474 125.644 121.223 -0.087 0.000 2.298 104 L HA 0.637 4.978 4.340 0.001 0.000 0.284 104 L C -1.100 175.599 176.870 -0.285 0.000 1.013 104 L CA -0.498 54.198 54.840 -0.241 0.000 0.824 104 L CB 0.323 42.208 42.059 -0.290 0.000 1.221 104 L HN 0.632 nan 8.230 nan 0.000 0.418 105 I N 4.443 124.741 120.570 -0.453 0.000 2.331 105 I HA 0.344 4.515 4.170 0.001 0.000 0.292 105 I C -0.136 175.783 176.117 -0.331 0.000 0.998 105 I CA -0.264 60.727 61.300 -0.515 0.000 1.267 105 I CB 1.541 39.128 38.000 -0.689 0.000 1.386 105 I HN 0.553 nan 8.210 nan 0.000 0.476 106 T N 4.606 118.998 114.554 -0.269 0.000 2.770 106 T HA 0.287 4.637 4.350 0.001 0.000 0.283 106 T C -0.632 173.973 174.700 -0.157 0.000 0.988 106 T CA -0.679 61.325 62.100 -0.160 0.000 0.957 106 T CB 0.961 69.752 68.868 -0.129 0.000 0.930 106 T HN 0.389 nan 8.240 nan 0.000 0.443 107 D N 2.095 122.417 120.400 -0.130 0.000 2.193 107 D HA 0.363 5.003 4.640 0.001 0.000 0.244 107 D C -0.521 175.601 176.300 -0.298 0.000 1.064 107 D CA -0.172 53.729 54.000 -0.166 0.000 0.845 107 D CB 1.908 42.597 40.800 -0.185 0.000 1.148 107 D HN 0.409 nan 8.370 nan 0.000 0.464 108 S N 2.045 117.601 115.700 -0.239 0.000 2.707 108 S HA 0.351 4.822 4.470 0.001 0.000 0.312 108 S C -1.039 173.377 174.600 -0.307 0.000 1.116 108 S CA -0.704 57.340 58.200 -0.260 0.000 1.078 108 S CB 1.068 64.175 63.200 -0.155 0.000 0.997 108 S HN 0.243 nan 8.310 nan 0.000 0.477 109 V N 5.058 124.702 119.914 -0.449 0.000 2.417 109 V HA 0.689 4.809 4.120 0.001 0.000 0.291 109 V C -0.072 175.770 176.094 -0.419 0.000 1.024 109 V CA -0.331 61.631 62.300 -0.564 0.000 0.861 109 V CB 1.677 32.986 31.823 -0.857 0.000 0.985 109 V HN 0.850 nan 8.190 nan 0.000 0.436 110 S N 5.093 120.577 115.700 -0.359 0.000 2.452 110 S HA 0.724 5.195 4.470 0.001 0.000 0.284 110 S C -0.325 174.143 174.600 -0.220 0.000 1.171 110 S CA 0.174 58.243 58.200 -0.219 0.000 1.064 110 S CB 0.564 63.690 63.200 -0.124 0.000 0.967 110 S HN 1.200 nan 8.310 nan 0.000 0.484 111 T N 3.450 117.924 114.554 -0.133 0.000 2.907 111 T HA 0.312 4.663 4.350 0.001 0.000 0.344 111 T C 0.169 174.869 174.700 0.000 0.000 1.675 111 T CA -0.631 61.448 62.100 -0.035 0.000 1.076 111 T CB 0.862 69.726 68.868 -0.006 0.000 1.483 111 T HN 0.600 nan 8.240 nan 0.000 0.487 112 R N 1.346 121.869 120.500 0.038 0.000 2.299 112 R HA 0.240 4.580 4.340 0.001 0.000 0.197 112 R C 0.504 176.825 176.300 0.033 0.000 0.971 112 R CA 0.075 56.192 56.100 0.029 0.000 1.030 112 R CB -0.190 30.129 30.300 0.032 0.000 0.932 112 R HN 0.499 nan 8.270 nan 0.000 0.477 113 L N 3.728 124.984 121.223 0.055 0.000 2.499 113 L HA 0.090 4.430 4.340 0.001 0.000 0.273 113 L C -1.843 175.052 176.870 0.041 0.000 1.195 113 L CA -1.623 53.253 54.840 0.060 0.000 0.882 113 L CB -0.126 41.997 42.059 0.107 0.000 1.133 113 L HN -0.177 nan 8.230 nan 0.000 0.483 114 P HA -0.021 nan 4.420 nan 0.000 0.269 114 P C 0.324 177.644 177.300 0.033 0.000 1.209 114 P CA -0.129 62.986 63.100 0.025 0.000 0.776 114 P CB 0.936 32.650 31.700 0.023 0.000 0.876 115 A N 2.910 125.740 122.820 0.017 0.000 1.958 115 A HA -0.244 4.077 4.320 0.001 0.000 0.221 115 A C 2.493 180.106 177.584 0.048 0.000 1.178 115 A CA 2.474 54.523 52.037 0.019 0.000 0.642 115 A CB -1.644 17.354 19.000 -0.004 0.000 0.816 115 A HN 0.594 nan 8.150 nan 0.000 0.453 116 S N -1.057 114.668 115.700 0.041 0.000 2.440 116 S HA -0.143 4.328 4.470 0.001 0.000 0.238 116 S C 1.800 176.441 174.600 0.067 0.000 1.010 116 S CA 2.041 60.270 58.200 0.048 0.000 0.972 116 S CB -0.616 62.604 63.200 0.033 0.000 0.774 116 S HN 0.655 nan 8.310 nan 0.000 0.501 117 T N 1.492 116.090 114.554 0.075 0.000 2.995 117 T HA 0.176 4.527 4.350 0.001 0.000 0.269 117 T C 1.302 176.084 174.700 0.138 0.000 1.091 117 T CA 0.866 63.020 62.100 0.090 0.000 1.128 117 T CB -0.063 68.855 68.868 0.083 0.000 0.891 117 T HN 0.371 nan 8.240 nan 0.000 0.492 118 L N -0.022 121.303 121.223 0.170 0.000 2.731 118 L HA 0.185 4.526 4.340 0.001 0.000 0.240 118 L C 2.476 179.539 176.870 0.321 0.000 1.120 118 L CA 0.160 55.167 54.840 0.278 0.000 0.913 118 L CB -0.305 41.948 42.059 0.323 0.000 1.213 118 L HN 0.096 nan 8.230 nan 0.000 0.515 119 T N 0.476 115.157 114.554 0.213 0.000 2.684 119 T HA -0.102 4.249 4.350 0.001 0.000 0.267 119 T C 1.276 176.111 174.700 0.225 0.000 1.036 119 T CA 1.379 63.598 62.100 0.198 0.000 1.148 119 T CB -0.359 68.582 68.868 0.122 0.000 0.863 119 T HN 0.498 nan 8.240 nan 0.000 0.436 123 A N -0.051 122.947 122.820 0.297 0.000 1.933 123 A HA -0.220 4.101 4.320 0.001 0.000 0.218 123 A C 1.869 179.599 177.584 0.244 0.000 1.175 123 A CA 2.199 54.371 52.037 0.224 0.000 0.628 123 A CB -1.119 18.004 19.000 0.205 0.000 0.814 123 A HN 0.543 nan 8.150 nan 0.000 0.444 124 Y N 0.475 120.895 120.300 0.200 0.000 2.163 124 Y HA -0.187 4.363 4.550 0.001 0.000 0.288 124 Y C 2.534 178.531 175.900 0.161 0.000 1.136 124 Y CA 2.015 60.230 58.100 0.192 0.000 1.147 124 Y CB -0.289 38.288 38.460 0.195 0.000 0.987 124 Y HN 0.245 nan 8.280 nan 0.000 0.509 125 R N -0.008 120.602 120.500 0.183 0.000 2.103 125 R HA -0.242 4.099 4.340 0.001 0.000 0.242 125 R C 2.273 178.588 176.300 0.025 0.000 1.142 125 R CA 2.212 58.383 56.100 0.120 0.000 0.960 125 R CB -0.455 29.945 30.300 0.166 0.000 0.858 125 R HN 0.541 nan 8.270 nan 0.000 0.439 126 Q N -0.363 119.402 119.800 -0.059 0.000 2.016 126 Q HA -0.129 4.211 4.340 0.001 0.000 0.200 126 Q C 2.351 178.336 176.000 -0.025 0.000 0.978 126 Q CA 2.074 57.739 55.803 -0.229 0.000 0.833 126 Q CB -0.294 28.202 28.738 -0.404 0.000 0.895 126 Q HN 0.501 nan 8.270 nan 0.000 0.427 127 T N -1.162 113.405 114.554 0.022 0.000 2.746 127 T HA -0.238 4.113 4.350 0.001 0.000 0.267 127 T C 1.901 176.596 174.700 -0.007 0.000 1.039 127 T CA 1.426 63.559 62.100 0.055 0.000 1.142 127 T CB -0.224 68.739 68.868 0.159 0.000 0.866 127 T HN 0.089 nan 8.240 nan 0.000 0.444 128 Q N 0.705 120.453 119.800 -0.086 0.000 2.084 128 Q HA 0.086 4.426 4.340 0.001 0.000 0.202 128 Q C 2.231 178.167 176.000 -0.106 0.000 0.978 128 Q CA 1.173 56.897 55.803 -0.132 0.000 0.844 128 Q CB -0.712 27.779 28.738 -0.412 0.000 0.898 128 Q HN 0.582 nan 8.270 nan 0.000 0.426 129 L N -0.355 120.792 121.223 -0.126 0.000 1.989 129 L HA -0.181 4.159 4.340 0.001 0.000 0.211 129 L C 2.162 178.888 176.870 -0.239 0.000 1.071 129 L CA 1.449 56.118 54.840 -0.284 0.000 0.749 129 L CB -0.449 41.538 42.059 -0.120 0.000 0.890 129 L HN 0.415 nan 8.230 nan 0.000 0.431 130 I N 0.267 120.799 120.570 -0.064 0.000 2.252 130 I HA -0.238 3.933 4.170 0.001 0.000 0.245 130 I C 2.455 178.565 176.117 -0.011 0.000 1.102 130 I CA 1.490 62.792 61.300 0.004 0.000 1.385 130 I CB -0.550 37.499 38.000 0.081 0.000 1.064 130 I HN 0.257 nan 8.210 nan 0.000 0.414 131 E N 0.357 120.533 120.200 -0.039 0.000 2.106 131 E HA -0.202 4.149 4.350 0.001 0.000 0.192 131 E C 1.893 178.481 176.600 -0.020 0.000 0.984 131 E CA 1.263 57.638 56.400 -0.042 0.000 0.806 131 E CB -0.407 29.235 29.700 -0.097 0.000 0.750 131 E HN 0.505 nan 8.360 nan 0.000 0.458 132 D N 0.707 121.075 120.400 -0.054 0.000 2.104 132 D HA -0.108 4.533 4.640 0.001 0.000 0.194 132 D C 2.153 178.418 176.300 -0.058 0.000 0.994 132 D CA 0.740 54.736 54.000 -0.006 0.000 0.830 132 D CB -0.217 40.589 40.800 0.010 0.000 0.959 132 D HN 0.101 nan 8.370 nan 0.000 0.452 133 L N 0.281 121.337 121.223 -0.278 0.000 2.056 133 L HA -0.129 4.211 4.340 0.001 0.000 0.207 133 L C 2.323 178.942 176.870 -0.418 0.000 1.078 133 L CA 1.063 55.597 54.840 -0.510 0.000 0.749 133 L CB -0.241 41.339 42.059 -0.798 0.000 0.901 133 L HN -0.015 nan 8.230 nan 0.000 0.433 134 K N -0.442 119.922 120.400 -0.061 0.000 2.063 134 K HA -0.226 4.094 4.320 0.001 0.000 0.208 134 K C 2.073 178.682 176.600 0.014 0.000 1.048 134 K CA 1.694 58.057 56.287 0.126 0.000 0.928 134 K CB -0.317 32.272 32.500 0.147 0.000 0.713 134 K HN 0.111 nan 8.250 nan 0.000 0.442 135 F N 1.917 121.796 119.950 -0.118 0.000 2.102 135 F HA -0.183 4.345 4.527 0.001 0.000 0.298 135 F C 1.724 177.424 175.800 -0.167 0.000 1.105 135 F CA 1.357 59.265 58.000 -0.153 0.000 1.239 135 F CB -0.298 38.594 39.000 -0.179 0.000 0.991 135 F HN -0.111 nan 8.300 nan 0.000 0.474 136 L N -0.544 120.519 121.223 -0.266 0.000 2.079 136 L HA -0.232 4.108 4.340 0.001 0.000 0.210 136 L C 2.793 179.501 176.870 -0.270 0.000 1.081 136 L CA 1.512 56.160 54.840 -0.320 0.000 0.752 136 L CB -1.036 40.971 42.059 -0.086 0.000 0.896 136 L HN 0.293 nan 8.230 nan 0.000 0.433 137 S N -0.076 115.502 115.700 -0.204 0.000 2.345 137 S HA -0.157 4.313 4.470 0.001 0.000 0.220 137 S C 2.160 176.706 174.600 -0.090 0.000 1.031 137 S CA 1.053 59.211 58.200 -0.069 0.000 0.996 137 S CB -0.058 63.223 63.200 0.135 0.000 0.882 137 S HN 0.311 nan 8.310 nan 0.000 0.445 138 R N -0.003 120.409 120.500 -0.147 0.000 2.091 138 R HA -0.073 4.268 4.340 0.001 0.000 0.238 138 R C 2.398 178.577 176.300 -0.201 0.000 1.136 138 R CA 1.944 57.946 56.100 -0.163 0.000 0.959 138 R CB -1.029 29.151 30.300 -0.199 0.000 0.856 138 R HN 0.417 nan 8.270 nan 0.000 0.437 139 T N 0.562 114.891 114.554 -0.374 0.000 2.951 139 T HA -0.107 4.243 4.350 0.001 0.000 0.268 139 T C 1.906 176.638 174.700 0.053 0.000 1.073 139 T CA 1.447 63.379 62.100 -0.280 0.000 1.134 139 T CB -0.160 68.323 68.868 -0.641 0.000 0.884 139 T HN 0.417 nan 8.240 nan 0.000 0.479 140 S N 1.939 117.646 115.700 0.011 0.000 2.500 140 S HA -0.132 4.339 4.470 0.001 0.000 0.239 140 S C 2.028 176.618 174.600 -0.017 0.000 0.989 140 S CA 1.423 59.631 58.200 0.013 0.000 0.951 140 S CB -0.967 62.203 63.200 -0.049 0.000 0.759 140 S HN 0.675 nan 8.310 nan 0.000 0.523 141 T N -0.840 113.718 114.554 0.006 0.000 3.129 141 T HA 0.318 4.669 4.350 0.001 0.000 0.251 141 T C 1.322 176.049 174.700 0.045 0.000 1.117 141 T CA 0.099 62.200 62.100 0.002 0.000 1.034 141 T CB -0.402 68.459 68.868 -0.011 0.000 0.968 141 T HN 0.458 nan 8.240 nan 0.000 0.526 142 L N -0.138 121.167 121.223 0.137 0.000 2.590 142 L HA 0.478 4.818 4.340 0.001 0.000 0.227 142 L C 0.231 177.278 176.870 0.296 0.000 1.099 142 L CA -0.353 54.591 54.840 0.173 0.000 0.872 142 L CB 0.156 42.298 42.059 0.138 0.000 1.088 142 L HN 0.442 nan 8.230 nan 0.000 0.479 143 F N -2.677 117.273 119.950 0.000 0.000 2.831 143 F HA 0.323 4.850 4.527 0.001 0.000 0.318 143 F C 0.230 176.040 175.800 0.017 0.000 1.174 143 F CA -1.627 56.380 58.000 0.012 0.000 0.918 143 F CB 0.151 39.168 39.000 0.027 0.000 1.364 143 F HN -0.051 nan 8.300 nan 0.000 0.475 144 D N -0.354 119.900 120.400 -0.243 0.000 2.350 144 D HA 0.195 4.836 4.640 0.001 0.000 0.216 144 D C 1.672 177.634 176.300 -0.564 0.000 0.968 144 D CA 1.254 55.072 54.000 -0.305 0.000 0.894 144 D CB -0.337 40.406 40.800 -0.095 0.000 0.909 144 D HN 1.622 nan 8.370 nan 0.000 0.520 145 G N -0.817 107.185 108.800 -1.331 0.000 2.179 145 G HA2 -0.283 3.677 3.960 0.001 0.000 0.260 145 G HA3 -0.283 3.677 3.960 0.001 0.000 0.260 145 G C 0.346 175.089 174.900 -0.261 0.000 0.977 145 G CA 0.304 44.785 45.100 -1.031 0.000 0.641 145 G HN 0.475 nan 8.290 nan 0.000 0.533 146 S N 2.045 117.697 115.700 -0.080 0.000 2.564 146 S HA 0.485 4.955 4.470 0.001 0.000 0.278 146 S C -1.808 172.922 174.600 0.215 0.000 1.333 146 S CA -0.573 57.661 58.200 0.057 0.000 1.048 146 S CB 1.210 64.443 63.200 0.055 0.000 0.900 146 S HN 0.265 nan 8.310 nan 0.000 0.505 147 P HA 0.191 nan 4.420 nan 0.000 0.268 147 P C -0.856 176.605 177.300 0.269 0.000 1.204 147 P CA 0.058 63.224 63.100 0.111 0.000 0.768 147 P CB 0.356 32.048 31.700 -0.014 0.000 0.842 148 L N 1.820 123.336 121.223 0.488 0.000 2.332 148 L HA 0.510 4.850 4.340 0.001 0.000 0.269 148 L C 0.474 177.401 176.870 0.094 0.000 1.016 148 L CA -0.583 54.362 54.840 0.175 0.000 0.809 148 L CB 1.568 43.627 42.059 -0.000 0.000 1.280 148 L HN 0.218 nan 8.230 nan 0.000 0.447 149 T N 1.239 115.802 114.554 0.015 0.000 2.771 149 T HA 0.497 4.848 4.350 0.001 0.000 0.281 149 T C -0.465 174.198 174.700 -0.062 0.000 0.982 149 T CA -0.388 61.702 62.100 -0.016 0.000 0.978 149 T CB 1.432 70.291 68.868 -0.014 0.000 0.930 149 T HN 0.187 nan 8.240 nan 0.000 0.447 150 V N 2.832 122.696 119.914 -0.084 0.000 2.376 150 V HA 0.663 4.783 4.120 0.001 0.000 0.287 150 V C 0.320 176.351 176.094 -0.106 0.000 1.015 150 V CA -1.171 61.057 62.300 -0.120 0.000 0.834 150 V CB 1.231 32.949 31.823 -0.175 0.000 1.001 150 V HN 1.079 nan 8.190 nan 0.000 0.428 151 A N 6.763 129.519 122.820 -0.106 0.000 2.363 151 A HA 0.830 5.150 4.320 0.001 0.000 0.270 151 A C -0.402 177.100 177.584 -0.137 0.000 1.121 151 A CA -0.153 51.815 52.037 -0.114 0.000 0.800 151 A CB 0.183 19.111 19.000 -0.119 0.000 1.052 151 A HN 0.788 nan 8.150 nan 0.000 0.493 152 I N 2.277 122.762 120.570 -0.142 0.000 2.534 152 I HA 0.302 4.472 4.170 0.001 0.000 0.288 152 I C 0.347 176.360 176.117 -0.175 0.000 1.077 152 I CA -0.501 60.708 61.300 -0.152 0.000 1.051 152 I CB 2.498 40.416 38.000 -0.136 0.000 1.234 152 I HN 0.777 nan 8.210 nan 0.000 0.425 153 T N 0.807 115.235 114.554 -0.211 0.000 2.918 153 T HA 0.571 4.922 4.350 0.001 0.000 0.283 153 T C 1.004 175.648 174.700 -0.095 0.000 1.001 153 T CA 0.198 62.161 62.100 -0.229 0.000 1.041 153 T CB 1.674 70.261 68.868 -0.469 0.000 1.028 153 T HN 1.107 nan 8.240 nan 0.000 0.511 154 G N 1.078 109.878 108.800 -0.002 0.000 2.160 154 G HA2 -0.332 3.629 3.960 0.001 0.000 0.251 154 G HA3 -0.332 3.629 3.960 0.001 0.000 0.251 154 G C 0.907 175.787 174.900 -0.033 0.000 1.008 154 G CA 0.848 45.952 45.100 0.007 0.000 0.724 154 G HN 1.686 nan 8.290 nan 0.000 0.514 155 S N -1.001 114.677 115.700 -0.037 0.000 2.515 155 S HA 0.057 4.528 4.470 0.001 0.000 0.231 155 S C 1.902 176.485 174.600 -0.030 0.000 0.987 155 S CA 1.193 59.362 58.200 -0.052 0.000 0.936 155 S CB -0.042 63.126 63.200 -0.053 0.000 0.766 155 S HN 0.641 nan 8.310 nan 0.000 0.528 156 R N 0.717 121.213 120.500 -0.007 0.000 2.290 156 R HA 0.279 4.620 4.340 0.001 0.000 0.197 156 R C 1.367 177.668 176.300 0.003 0.000 0.913 156 R CA 0.293 56.394 56.100 0.000 0.000 1.040 156 R CB 0.032 30.341 30.300 0.014 0.000 0.992 156 R HN 0.468 nan 8.270 nan 0.000 0.500 157 G N 0.387 109.188 108.800 0.002 0.000 2.653 157 G HA2 0.023 3.984 3.960 0.001 0.000 0.265 157 G HA3 0.023 3.984 3.960 0.001 0.000 0.265 157 G C 0.887 175.788 174.900 0.003 0.000 1.237 157 G CA -0.618 44.487 45.100 0.007 0.000 0.946 157 G HN 0.025 nan 8.290 nan 0.000 0.522 158 L N -0.416 120.816 121.223 0.015 0.000 1.978 158 L HA -0.177 4.164 4.340 0.001 0.000 0.218 158 L C 2.935 179.814 176.870 0.016 0.000 1.075 158 L CA 1.607 56.462 54.840 0.024 0.000 0.767 158 L CB -0.327 41.757 42.059 0.042 0.000 0.890 158 L HN 0.336 nan 8.230 nan 0.000 0.434 159 V N -0.682 119.233 119.914 0.002 0.000 2.407 159 V HA -0.118 4.003 4.120 0.001 0.000 0.245 159 V C 2.576 178.621 176.094 -0.083 0.000 1.041 159 V CA 1.550 63.836 62.300 -0.024 0.000 1.040 159 V CB -0.932 30.871 31.823 -0.035 0.000 0.671 159 V HN 0.617 nan 8.190 nan 0.000 0.455 160 G N -0.267 108.473 108.800 -0.100 0.000 2.440 160 G HA2 -0.303 3.658 3.960 0.001 0.000 0.218 160 G HA3 -0.303 3.658 3.960 0.001 0.000 0.218 160 G C 1.742 176.597 174.900 -0.074 0.000 1.154 160 G CA 0.998 46.026 45.100 -0.119 0.000 0.767 160 G HN 0.411 nan 8.290 nan 0.000 0.552 161 R N 0.278 120.754 120.500 -0.039 0.000 2.092 161 R HA 0.103 4.444 4.340 0.001 0.000 0.231 161 R C 2.904 179.199 176.300 -0.010 0.000 1.119 161 R CA 1.260 57.346 56.100 -0.024 0.000 0.970 161 R CB -0.269 30.025 30.300 -0.011 0.000 0.864 161 R HN 0.309 nan 8.270 nan 0.000 0.440 162 A N 0.840 123.663 122.820 0.006 0.000 1.898 162 A HA -0.143 4.178 4.320 0.001 0.000 0.216 162 A C 1.973 179.577 177.584 0.033 0.000 1.181 162 A CA 1.029 53.089 52.037 0.038 0.000 0.620 162 A CB -0.543 18.495 19.000 0.064 0.000 0.819 162 A HN 0.352 nan 8.150 nan 0.000 0.442 163 L N -0.167 121.053 121.223 -0.006 0.000 2.046 163 L HA -0.110 4.230 4.340 0.001 0.000 0.208 163 L C 2.419 179.278 176.870 -0.018 0.000 1.077 163 L CA 2.827 57.660 54.840 -0.011 0.000 0.747 163 L CB -1.160 40.834 42.059 -0.108 0.000 0.896 163 L HN 0.359 nan 8.230 nan 0.000 0.432 164 T N 0.041 114.566 114.554 -0.047 0.000 2.684 164 T HA -0.212 4.139 4.350 0.001 0.000 0.267 164 T C 1.900 176.583 174.700 -0.028 0.000 1.036 164 T CA 1.604 63.673 62.100 -0.052 0.000 1.148 164 T CB -0.612 68.222 68.868 -0.057 0.000 0.863 164 T HN 0.553 nan 8.240 nan 0.000 0.436 165 A N 0.869 123.681 122.820 -0.014 0.000 1.933 165 A HA -0.177 4.143 4.320 0.001 0.000 0.218 165 A C 2.258 179.853 177.584 0.019 0.000 1.175 165 A CA 1.921 53.947 52.037 -0.018 0.000 0.628 165 A CB -0.705 18.292 19.000 -0.005 0.000 0.814 165 A HN 0.573 nan 8.150 nan 0.000 0.444 166 Q N -1.107 118.751 119.800 0.097 0.000 2.046 166 Q HA -0.138 4.202 4.340 0.001 0.000 0.200 166 Q C 1.921 178.116 176.000 0.326 0.000 0.975 166 Q CA 1.214 57.153 55.803 0.226 0.000 0.836 166 Q CB -0.178 28.729 28.738 0.281 0.000 0.896 166 Q HN 0.451 nan 8.270 nan 0.000 0.428 167 L N 1.107 122.437 121.223 0.179 0.000 2.013 167 L HA -0.254 4.087 4.340 0.001 0.000 0.212 167 L C 2.316 179.257 176.870 0.118 0.000 1.073 167 L CA 1.886 56.762 54.840 0.059 0.000 0.753 167 L CB -1.114 40.870 42.059 -0.125 0.000 0.890 167 L HN 0.334 nan 8.230 nan 0.000 0.432 168 Q N -1.304 118.511 119.800 0.024 0.000 2.084 168 Q HA -0.192 4.148 4.340 0.001 0.000 0.202 168 Q C 1.960 177.906 176.000 -0.091 0.000 0.978 168 Q CA 2.146 57.925 55.803 -0.039 0.000 0.844 168 Q CB -0.347 28.340 28.738 -0.084 0.000 0.898 168 Q HN 0.696 nan 8.270 nan 0.000 0.426 169 T N -2.649 111.831 114.554 -0.125 0.000 3.007 169 T HA -0.043 4.308 4.350 0.001 0.000 0.270 169 T C 1.700 176.355 174.700 -0.076 0.000 1.107 169 T CA 0.981 62.891 62.100 -0.318 0.000 1.118 169 T CB -0.239 68.272 68.868 -0.595 0.000 0.889 169 T HN 0.340 nan 8.240 nan 0.000 0.506 170 G N 0.253 109.142 108.800 0.149 0.000 2.985 170 G HA2 0.419 4.379 3.960 0.001 0.000 0.209 170 G HA3 0.419 4.379 3.960 0.001 0.000 0.209 170 G C 1.219 176.109 174.900 -0.017 0.000 1.165 170 G CA -0.011 45.233 45.100 0.241 0.000 0.776 170 G HN 1.147 nan 8.290 nan 0.000 0.541 171 G N -0.618 108.135 108.800 -0.079 0.000 2.157 171 G HA2 -0.233 3.727 3.960 0.001 0.000 0.239 171 G HA3 -0.233 3.727 3.960 0.001 0.000 0.239 171 G C 0.284 175.050 174.900 -0.223 0.000 0.982 171 G CA 0.098 45.103 45.100 -0.159 0.000 0.650 171 G HN 0.606 nan 8.290 nan 0.000 0.527 172 H N 0.662 119.736 119.070 0.006 0.000 2.508 172 H HA 0.482 5.039 4.556 0.001 0.000 0.358 172 H C -0.007 175.288 175.328 -0.054 0.000 1.212 172 H CA -0.007 56.022 56.048 -0.031 0.000 1.356 172 H CB 0.896 30.603 29.762 -0.092 0.000 1.525 172 H HN 0.261 nan 8.280 nan 0.000 0.578 173 E N 1.470 121.717 120.200 0.080 0.000 2.191 173 E HA 0.289 4.639 4.350 0.001 0.000 0.278 173 E C -0.563 176.028 176.600 -0.015 0.000 0.972 173 E CA -0.801 55.605 56.400 0.011 0.000 0.804 173 E CB 2.469 32.170 29.700 0.000 0.000 1.110 173 E HN 0.189 nan 8.360 nan 0.000 0.394 174 V N 4.314 124.208 119.914 -0.035 0.000 2.417 174 V HA 0.379 4.499 4.120 0.001 0.000 0.291 174 V C 0.220 176.284 176.094 -0.050 0.000 1.024 174 V CA -0.653 61.613 62.300 -0.056 0.000 0.861 174 V CB 1.273 33.058 31.823 -0.064 0.000 0.985 174 V HN 0.519 nan 8.190 nan 0.000 0.436 175 I N 4.726 125.262 120.570 -0.056 0.000 2.306 175 I HA 0.333 4.504 4.170 0.001 0.000 0.288 175 I C 0.201 176.284 176.117 -0.057 0.000 1.036 175 I CA -0.261 61.010 61.300 -0.048 0.000 1.221 175 I CB 1.094 39.067 38.000 -0.045 0.000 1.385 175 I HN 0.606 nan 8.210 nan 0.000 0.472 176 Q N 6.786 126.561 119.800 -0.041 0.000 2.295 176 Q HA 0.399 4.740 4.340 0.001 0.000 0.259 176 Q C -0.891 175.095 176.000 -0.024 0.000 0.976 176 Q CA -0.263 55.516 55.803 -0.040 0.000 0.923 176 Q CB 1.384 30.108 28.738 -0.024 0.000 1.185 176 Q HN 0.571 nan 8.270 nan 0.000 0.410 177 L N 4.259 125.449 121.223 -0.056 0.000 2.259 177 L HA 0.383 4.723 4.340 0.001 0.000 0.288 177 L C -0.099 176.813 176.870 0.069 0.000 1.051 177 L CA -0.818 54.002 54.840 -0.033 0.000 0.824 177 L CB 0.167 42.096 42.059 -0.217 0.000 1.206 177 L HN 0.356 nan 8.230 nan 0.000 0.429 178 V N 0.696 120.679 119.914 0.116 0.000 2.769 178 V HA 0.505 4.626 4.120 0.001 0.000 0.312 178 V C 0.783 176.922 176.094 0.076 0.000 1.058 178 V CA -0.861 61.515 62.300 0.127 0.000 0.952 178 V CB 2.137 34.018 31.823 0.097 0.000 1.019 178 V HN 0.702 nan 8.190 nan 0.000 0.445 179 R N 1.439 121.975 120.500 0.059 0.000 2.276 179 R HA 0.282 4.622 4.340 0.001 0.000 0.196 179 R C 0.240 176.562 176.300 0.038 0.000 0.961 179 R CA 0.469 56.509 56.100 -0.101 0.000 1.024 179 R CB 0.138 30.385 30.300 -0.088 0.000 0.940 179 R HN 0.893 nan 8.270 nan 0.000 0.480 180 K N -1.033 119.456 120.400 0.148 0.000 2.642 180 K HA 0.164 4.485 4.320 0.001 0.000 0.290 180 K C -1.268 175.431 176.600 0.165 0.000 1.006 180 K CA -0.909 55.509 56.287 0.219 0.000 0.869 180 K CB 1.081 33.661 32.500 0.134 0.000 1.499 180 K HN -0.105 nan 8.250 nan 0.000 0.403 181 E N 0.612 120.892 120.200 0.133 0.000 2.228 181 E HA -0.147 4.204 4.350 0.001 0.000 0.213 181 E C -2.093 174.559 176.600 0.086 0.000 1.282 181 E CA 0.269 56.717 56.400 0.081 0.000 0.707 181 E CB -1.384 28.349 29.700 0.054 0.000 1.150 181 E HN 0.512 nan 8.360 nan 0.000 0.362 182 P HA 0.045 nan 4.420 nan 0.000 0.271 182 P C -0.138 177.195 177.300 0.056 0.000 1.216 182 P CA 0.396 63.559 63.100 0.105 0.000 0.771 182 P CB 0.827 32.620 31.700 0.154 0.000 0.864 183 K N 3.670 124.093 120.400 0.038 0.000 2.090 183 K HA 0.435 4.755 4.320 0.001 0.000 0.249 183 K C -2.252 174.356 176.600 0.014 0.000 0.995 183 K CA -2.047 54.249 56.287 0.016 0.000 0.914 183 K CB -0.327 32.174 32.500 0.002 0.000 1.057 183 K HN 0.301 nan 8.250 nan 0.000 0.462 184 P HA -0.071 nan 4.420 nan 0.000 0.264 184 P C 0.535 177.833 177.300 -0.002 0.000 1.183 184 P CA 0.971 64.071 63.100 0.000 0.000 0.763 184 P CB 0.395 32.089 31.700 -0.009 0.000 0.807 185 G N 1.781 110.582 108.800 0.002 0.000 2.234 185 G HA2 -0.259 3.701 3.960 0.001 0.000 0.260 185 G HA3 -0.259 3.701 3.960 0.001 0.000 0.260 185 G C 0.170 175.073 174.900 0.004 0.000 0.987 185 G CA 0.023 45.122 45.100 -0.002 0.000 0.625 185 G HN 0.546 nan 8.290 nan 0.000 0.532 186 K N 0.135 120.544 120.400 0.016 0.000 2.090 186 K HA 0.703 5.023 4.320 0.001 0.000 0.249 186 K C 0.324 176.959 176.600 0.057 0.000 0.995 186 K CA -0.567 55.738 56.287 0.030 0.000 0.914 186 K CB 0.957 33.480 32.500 0.038 0.000 1.057 186 K HN 0.206 nan 8.250 nan 0.000 0.462 187 R N 1.034 121.577 120.500 0.072 0.000 2.621 187 R HA 0.236 4.576 4.340 0.001 0.000 0.292 187 R C -1.003 175.406 176.300 0.181 0.000 0.969 187 R CA -0.792 55.377 56.100 0.115 0.000 0.887 187 R CB 1.107 31.453 30.300 0.077 0.000 1.180 187 R HN 0.459 nan 8.270 nan 0.000 0.450 188 F N 3.051 123.053 119.950 0.086 0.000 2.506 188 F HA 0.116 4.643 4.527 0.001 0.000 0.371 188 F C -0.547 175.373 175.800 0.200 0.000 1.078 188 F CA -0.257 57.811 58.000 0.114 0.000 1.195 188 F CB 0.412 39.450 39.000 0.064 0.000 1.099 188 F HN 0.530 nan 8.300 nan 0.000 0.548 189 W N 9.235 130.126 121.300 -0.683 0.000 2.361 189 W HA 0.303 4.963 4.660 0.001 0.000 0.314 189 W C -1.366 174.710 176.519 -0.739 0.000 1.041 189 W CA -1.287 55.759 57.345 -0.498 0.000 1.241 189 W CB 0.751 30.062 29.460 -0.249 0.000 1.279 189 W HN 0.456 nan 8.180 nan 0.000 0.436 190 D N 8.323 128.318 120.400 -0.675 0.000 2.396 190 D HA 0.266 4.906 4.640 0.001 0.000 0.225 190 D C -1.604 174.264 176.300 -0.720 0.000 1.121 190 D CA -2.389 51.244 54.000 -0.611 0.000 0.853 190 D CB 2.074 42.803 40.800 -0.117 0.000 1.043 190 D HN 0.119 nan 8.370 nan 0.000 0.500 191 P HA -0.079 nan 4.420 nan 0.000 0.216 191 P C 1.212 178.455 177.300 -0.096 0.000 1.150 191 P CA 0.936 63.511 63.100 -0.875 0.000 0.837 191 P CB 0.302 31.488 31.700 -0.857 0.000 0.786 192 L N -2.540 118.655 121.223 -0.047 0.000 2.592 192 L HA 0.187 4.527 4.340 0.001 0.000 0.227 192 L C 0.626 177.605 176.870 0.182 0.000 1.127 192 L CA 0.294 55.265 54.840 0.219 0.000 0.884 192 L CB -0.323 41.807 42.059 0.118 0.000 1.065 192 L HN -0.033 nan 8.230 nan 0.000 0.457 193 N N 0.195 118.932 118.700 0.062 0.000 2.725 193 N HA 0.126 4.867 4.740 0.001 0.000 0.225 193 N C -2.811 172.716 175.510 0.028 0.000 1.465 193 N CA -1.010 52.028 53.050 -0.020 0.000 0.830 193 N CB 0.981 39.456 38.487 -0.020 0.000 1.460 193 N HN -0.189 nan 8.380 nan 0.000 0.538 194 P HA 0.220 nan 4.420 nan 0.000 0.271 194 P C -0.185 177.184 177.300 0.116 0.000 1.216 194 P CA -0.267 62.949 63.100 0.193 0.000 0.776 194 P CB 0.873 32.774 31.700 0.334 0.000 0.881 195 A N 3.246 126.147 122.820 0.135 0.000 2.540 195 A HA 0.064 4.384 4.320 0.001 0.000 0.239 195 A C 1.758 179.378 177.584 0.059 0.000 1.061 195 A CA 0.195 52.287 52.037 0.093 0.000 0.758 195 A CB -0.545 18.523 19.000 0.114 0.000 0.991 195 A HN 0.554 nan 8.150 nan 0.000 0.502 196 S N 0.787 116.506 115.700 0.033 0.000 2.420 196 S HA -0.159 4.312 4.470 0.001 0.000 0.237 196 S C 1.181 175.791 174.600 0.017 0.000 1.023 196 S CA 1.736 59.946 58.200 0.016 0.000 0.991 196 S CB -0.261 62.943 63.200 0.006 0.000 0.792 196 S HN 0.945 nan 8.310 nan 0.000 0.488 197 D N 0.286 120.701 120.400 0.025 0.000 2.424 197 D HA 0.123 4.764 4.640 0.001 0.000 0.220 197 D C 1.280 177.593 176.300 0.021 0.000 1.150 197 D CA -0.254 53.757 54.000 0.018 0.000 0.831 197 D CB -0.338 40.474 40.800 0.019 0.000 0.981 197 D HN 0.180 nan 8.370 nan 0.000 0.500 198 L N 0.084 121.324 121.223 0.029 0.000 2.127 198 L HA -0.005 4.336 4.340 0.001 0.000 0.211 198 L C 1.680 178.542 176.870 -0.014 0.000 1.089 198 L CA 1.622 56.477 54.840 0.025 0.000 0.757 198 L CB -0.189 41.893 42.059 0.039 0.000 0.899 198 L HN 0.159 nan 8.230 nan 0.000 0.434 199 L N -1.081 120.128 121.223 -0.023 0.000 2.667 199 L HA 0.164 4.504 4.340 0.001 0.000 0.232 199 L C -0.113 176.739 176.870 -0.030 0.000 1.138 199 L CA -0.575 54.240 54.840 -0.042 0.000 0.921 199 L CB -0.419 41.609 42.059 -0.052 0.000 1.180 199 L HN 0.046 nan 8.230 nan 0.000 0.487 200 D N 1.419 121.809 120.400 -0.017 0.000 2.488 200 D HA 0.224 4.864 4.640 0.001 0.000 0.238 200 D C 1.354 177.645 176.300 -0.016 0.000 1.138 200 D CA 1.459 55.451 54.000 -0.013 0.000 0.873 200 D CB 1.079 41.876 40.800 -0.005 0.000 1.183 200 D HN 0.288 nan 8.370 nan 0.000 0.458 201 G N 0.927 109.717 108.800 -0.016 0.000 2.205 201 G HA2 -0.194 3.767 3.960 0.001 0.000 0.261 201 G HA3 -0.194 3.767 3.960 0.001 0.000 0.261 201 G C 0.436 175.323 174.900 -0.022 0.000 0.980 201 G CA 0.324 45.414 45.100 -0.016 0.000 0.632 201 G HN 0.870 nan 8.290 nan 0.000 0.533 202 A N 0.188 122.989 122.820 -0.032 0.000 2.309 202 A HA 0.642 4.962 4.320 0.001 0.000 0.298 202 A C 0.973 178.532 177.584 -0.043 0.000 1.165 202 A CA 0.442 52.453 52.037 -0.043 0.000 0.821 202 A CB 0.552 19.516 19.000 -0.059 0.000 1.102 202 A HN 0.150 nan 8.150 nan 0.000 0.500 203 D N 0.667 121.039 120.400 -0.045 0.000 2.213 203 D HA 0.083 4.724 4.640 0.001 0.000 0.205 203 D C 0.082 176.342 176.300 -0.067 0.000 0.961 203 D CA 1.387 55.359 54.000 -0.046 0.000 0.853 203 D CB 0.366 41.145 40.800 -0.035 0.000 0.967 203 D HN 0.262 nan 8.370 nan 0.000 0.496 204 V N 1.285 121.147 119.914 -0.086 0.000 2.841 204 V HA 0.283 4.404 4.120 0.001 0.000 0.310 204 V C -0.878 175.154 176.094 -0.102 0.000 1.090 204 V CA -1.027 61.212 62.300 -0.102 0.000 0.930 204 V CB 2.919 34.663 31.823 -0.133 0.000 1.014 204 V HN -0.083 nan 8.190 nan 0.000 0.425 205 L N 5.002 126.167 121.223 -0.097 0.000 2.296 205 L HA 0.751 5.092 4.340 0.001 0.000 0.286 205 L C -0.657 176.165 176.870 -0.080 0.000 1.023 205 L CA 0.035 54.814 54.840 -0.102 0.000 0.812 205 L CB 1.674 43.668 42.059 -0.108 0.000 1.223 205 L HN 0.455 nan 8.230 nan 0.000 0.421 206 V N 5.384 125.248 119.914 -0.083 0.000 2.357 206 V HA 0.296 4.416 4.120 0.001 0.000 0.284 206 V C -0.313 175.769 176.094 -0.020 0.000 1.018 206 V CA -0.502 61.773 62.300 -0.042 0.000 0.841 206 V CB 0.947 32.721 31.823 -0.083 0.000 0.991 206 V HN 0.782 nan 8.190 nan 0.000 0.437 207 H N 5.800 124.823 119.070 -0.079 0.000 2.661 207 H HA 0.438 4.995 4.556 0.001 0.000 0.290 207 H C -0.016 175.316 175.328 0.007 0.000 1.082 207 H CA -0.521 55.478 56.048 -0.081 0.000 1.234 207 H CB 1.086 30.828 29.762 -0.033 0.000 1.387 207 H HN 0.621 nan 8.280 nan 0.000 0.476 208 L N 3.597 124.725 121.223 -0.158 0.000 2.672 208 L HA 0.317 4.657 4.340 0.001 0.000 0.236 208 L C 1.107 177.910 176.870 -0.112 0.000 1.092 208 L CA -0.022 54.724 54.840 -0.156 0.000 0.887 208 L CB 0.318 42.248 42.059 -0.215 0.000 1.168 208 L HN 0.546 nan 8.230 nan 0.000 0.502 209 A N 0.829 123.584 122.820 -0.110 0.000 2.565 209 A HA 0.438 4.758 4.320 0.001 0.000 0.237 209 A C 0.692 178.301 177.584 0.042 0.000 1.053 209 A CA 1.038 53.114 52.037 0.065 0.000 0.755 209 A CB -0.418 18.792 19.000 0.351 0.000 0.980 209 A HN 0.399 nan 8.150 nan 0.000 0.506 210 G N -0.095 108.735 108.800 0.051 0.000 2.348 210 G HA2 0.617 4.578 3.960 0.001 0.000 0.606 210 G HA3 0.617 4.578 3.960 0.001 0.000 0.606 210 G C -0.802 174.103 174.900 0.008 0.000 1.466 210 G CA 0.312 45.411 45.100 -0.001 0.000 0.950 210 G HN 1.610 nan 8.290 nan 0.000 0.657 218 N N -0.344 118.340 118.700 -0.027 0.000 2.508 218 N HA 0.501 5.242 4.740 0.001 0.000 0.285 218 N C 0.713 175.982 175.510 -0.402 0.000 1.144 218 N CA -0.032 52.951 53.050 -0.110 0.000 0.978 218 N CB 1.299 39.768 38.487 -0.029 0.000 1.180 218 N HN 0.471 nan 8.380 nan 0.000 0.484 219 D N -0.463 119.470 120.400 -0.778 0.000 2.384 219 D HA -0.153 4.488 4.640 0.001 0.000 0.222 219 D C 1.651 177.641 176.300 -0.518 0.000 0.976 219 D CA 1.247 54.512 54.000 -1.225 0.000 0.915 219 D CB -0.620 39.702 40.800 -0.795 0.000 0.896 219 D HN 0.606 nan 8.370 nan 0.000 0.523 220 S N -1.100 114.445 115.700 -0.258 0.000 2.447 220 S HA -0.107 4.364 4.470 0.001 0.000 0.233 220 S C 1.538 176.051 174.600 -0.145 0.000 1.006 220 S CA 1.219 59.325 58.200 -0.157 0.000 0.957 220 S CB -0.484 62.641 63.200 -0.125 0.000 0.773 220 S HN 0.744 nan 8.310 nan 0.000 0.507 221 H N 0.723 119.726 119.070 -0.112 0.000 2.539 221 H HA 0.359 4.916 4.556 0.001 0.000 0.267 221 H C 1.897 177.275 175.328 0.082 0.000 0.982 221 H CA 0.299 56.349 56.048 0.004 0.000 1.146 221 H CB 0.103 29.902 29.762 0.062 0.000 1.382 221 H HN 0.335 nan 8.280 nan 0.000 0.577 222 K N 0.774 121.279 120.400 0.175 0.000 2.001 222 K HA -0.252 4.069 4.320 0.001 0.000 0.214 222 K C 1.935 178.626 176.600 0.152 0.000 1.050 222 K CA 1.919 58.384 56.287 0.296 0.000 0.934 222 K CB 0.143 32.785 32.500 0.236 0.000 0.718 222 K HN 0.182 nan 8.250 nan 0.000 0.443 223 E N 0.415 120.658 120.200 0.071 0.000 2.051 223 E HA -0.140 4.210 4.350 0.001 0.000 0.192 223 E C 1.658 178.272 176.600 0.023 0.000 0.991 223 E CA 1.721 58.143 56.400 0.035 0.000 0.799 223 E CB -0.364 29.342 29.700 0.010 0.000 0.748 223 E HN 0.361 nan 8.360 nan 0.000 0.449 224 A N 0.369 123.201 122.820 0.021 0.000 1.948 224 A HA -0.200 4.121 4.320 0.001 0.000 0.220 224 A C 2.399 179.989 177.584 0.011 0.000 1.177 224 A CA 1.821 53.866 52.037 0.013 0.000 0.636 224 A CB -0.753 18.259 19.000 0.020 0.000 0.815 224 A HN 0.384 nan 8.150 nan 0.000 0.449 225 I N -1.792 118.800 120.570 0.037 0.000 2.500 225 I HA -0.128 4.043 4.170 0.001 0.000 0.252 225 I C 2.637 178.714 176.117 -0.068 0.000 1.142 225 I CA 0.942 62.226 61.300 -0.027 0.000 1.451 225 I CB -0.228 37.771 38.000 -0.002 0.000 1.093 225 I HN 0.308 nan 8.210 nan 0.000 0.430 226 R N 1.108 121.595 120.500 -0.022 0.000 2.096 226 R HA -0.176 4.165 4.340 0.001 0.000 0.235 226 R C 1.956 178.221 176.300 -0.058 0.000 1.127 226 R CA 1.570 57.650 56.100 -0.034 0.000 0.968 226 R CB 0.010 30.311 30.300 0.002 0.000 0.861 226 R HN 0.420 nan 8.270 nan 0.000 0.440 227 E N -0.719 119.455 120.200 -0.044 0.000 2.216 227 E HA -0.086 4.265 4.350 0.001 0.000 0.192 227 E C 1.806 178.365 176.600 -0.068 0.000 0.988 227 E CA 1.276 57.646 56.400 -0.049 0.000 0.834 227 E CB 0.256 29.939 29.700 -0.028 0.000 0.772 227 E HN 0.391 nan 8.360 nan 0.000 0.479 228 S N -0.089 115.565 115.700 -0.076 0.000 2.475 228 S HA 0.137 4.607 4.470 0.001 0.000 0.224 228 S C 1.923 176.471 174.600 -0.087 0.000 1.042 228 S CA -0.059 58.092 58.200 -0.082 0.000 0.935 228 S CB 0.346 63.497 63.200 -0.082 0.000 0.801 228 S HN 0.000 nan 8.310 nan 0.000 0.509 229 R N 0.098 120.502 120.500 -0.161 0.000 2.098 229 R HA 0.376 4.717 4.340 0.001 0.000 0.203 229 R C 2.109 178.338 176.300 -0.118 0.000 1.166 229 R CA 0.799 56.732 56.100 -0.277 0.000 1.090 229 R CB -0.165 29.740 30.300 -0.660 0.000 0.992 229 R HN 0.244 nan 8.270 nan 0.000 0.477 230 V N 1.235 121.084 119.914 -0.109 0.000 2.255 230 V HA -0.179 3.942 4.120 0.001 0.000 0.243 230 V C 2.039 178.074 176.094 -0.098 0.000 1.038 230 V CA 1.326 63.610 62.300 -0.027 0.000 1.008 230 V CB -0.350 31.459 31.823 -0.023 0.000 0.645 230 V HN 0.192 nan 8.190 nan 0.000 0.449 231 L N 0.139 121.238 121.223 -0.207 0.000 2.017 231 L HA -0.065 4.275 4.340 0.001 0.000 0.208 231 L C 0.004 176.463 176.870 -0.684 0.000 1.073 231 L CA 2.391 56.915 54.840 -0.527 0.000 0.745 231 L CB -2.212 39.572 42.059 -0.460 0.000 0.894 231 L HN 0.294 nan 8.230 nan 0.000 0.432 232 P HA -0.099 nan 4.420 nan 0.000 0.218 232 P C 1.648 178.975 177.300 0.044 0.000 1.149 232 P CA 1.379 64.484 63.100 0.009 0.000 0.817 232 P CB -0.085 31.754 31.700 0.232 0.000 0.785 233 T N -0.549 114.052 114.554 0.078 0.000 2.821 233 T HA -0.150 4.201 4.350 0.001 0.000 0.267 233 T C 1.766 176.466 174.700 0.000 0.000 1.046 233 T CA 1.263 63.425 62.100 0.103 0.000 1.139 233 T CB -0.400 68.701 68.868 0.388 0.000 0.871 233 T HN 0.212 nan 8.240 nan 0.000 0.454 234 K N -0.022 120.332 120.400 -0.077 0.000 2.057 234 K HA -0.063 4.258 4.320 0.001 0.000 0.206 234 K C 1.865 178.528 176.600 0.104 0.000 1.050 234 K CA 1.138 57.397 56.287 -0.047 0.000 0.935 234 K CB -0.171 32.251 32.500 -0.130 0.000 0.715 234 K HN 0.203 nan 8.250 nan 0.000 0.439 235 F N 1.115 121.092 119.950 0.044 0.000 2.171 235 F HA -0.159 4.368 4.527 0.001 0.000 0.300 235 F C 2.098 177.908 175.800 0.018 0.000 1.090 235 F CA 0.555 58.581 58.000 0.042 0.000 1.293 235 F CB -0.813 38.230 39.000 0.072 0.000 1.013 235 F HN 0.043 nan 8.300 nan 0.000 0.486 236 L N 0.133 121.446 121.223 0.150 0.000 2.056 236 L HA -0.086 4.254 4.340 0.001 0.000 0.207 236 L C 2.606 179.464 176.870 -0.020 0.000 1.078 236 L CA 1.789 56.620 54.840 -0.014 0.000 0.749 236 L CB -1.838 40.071 42.059 -0.249 0.000 0.901 236 L HN 0.126 nan 8.230 nan 0.000 0.433 237 A N -0.738 122.079 122.820 -0.004 0.000 1.940 237 A HA -0.228 4.093 4.320 0.001 0.000 0.219 237 A C 2.188 179.783 177.584 0.018 0.000 1.176 237 A CA 1.664 53.701 52.037 0.000 0.000 0.631 237 A CB -0.435 18.571 19.000 0.010 0.000 0.814 237 A HN 0.523 nan 8.150 nan 0.000 0.446 238 E N -0.179 120.056 120.200 0.059 0.000 2.077 238 E HA -0.148 4.202 4.350 0.001 0.000 0.193 238 E C 1.931 178.549 176.600 0.029 0.000 0.989 238 E CA 1.169 57.602 56.400 0.055 0.000 0.800 238 E CB -0.302 29.455 29.700 0.095 0.000 0.746 238 E HN 0.641 nan 8.360 nan 0.000 0.452 239 L N 0.547 121.788 121.223 0.029 0.000 2.083 239 L HA -0.175 4.166 4.340 0.001 0.000 0.209 239 L C 2.469 179.331 176.870 -0.012 0.000 1.083 239 L CA 0.648 55.492 54.840 0.007 0.000 0.752 239 L CB -0.411 41.651 42.059 0.005 0.000 0.899 239 L HN 0.063 nan 8.230 nan 0.000 0.433 240 V N 0.213 120.114 119.914 -0.022 0.000 2.295 240 V HA -0.308 3.812 4.120 0.001 0.000 0.246 240 V C 2.808 178.888 176.094 -0.024 0.000 1.049 240 V CA 1.843 64.123 62.300 -0.033 0.000 1.024 240 V CB -0.917 30.879 31.823 -0.045 0.000 0.648 240 V HN 0.490 nan 8.190 nan 0.000 0.447 241 A N -0.134 122.678 122.820 -0.014 0.000 1.917 241 A HA -0.285 4.035 4.320 0.001 0.000 0.219 241 A C 2.112 179.691 177.584 -0.009 0.000 1.182 241 A CA 2.171 54.202 52.037 -0.010 0.000 0.633 241 A CB -0.497 18.503 19.000 -0.001 0.000 0.819 241 A HN 0.670 nan 8.150 nan 0.000 0.448 242 E N -0.163 120.034 120.200 -0.006 0.000 2.358 242 E HA 0.037 4.388 4.350 0.001 0.000 0.195 242 E C 0.746 177.340 176.600 -0.009 0.000 1.010 242 E CA 0.329 56.726 56.400 -0.006 0.000 0.856 242 E CB 0.054 29.752 29.700 -0.003 0.000 0.795 242 E HN 0.422 nan 8.360 nan 0.000 0.504 243 S N 0.315 116.006 115.700 -0.014 0.000 2.545 243 S HA 0.056 4.526 4.470 0.001 0.000 0.275 243 S C 1.257 175.847 174.600 -0.017 0.000 1.299 243 S CA -0.290 57.900 58.200 -0.016 0.000 1.048 243 S CB 1.096 64.282 63.200 -0.023 0.000 0.938 243 S HN 0.222 nan 8.310 nan 0.000 0.496 244 T N 2.409 116.954 114.554 -0.014 0.000 2.978 244 T HA 0.010 4.361 4.350 0.001 0.000 0.262 244 T C 1.601 176.292 174.700 -0.015 0.000 1.063 244 T CA 0.677 62.769 62.100 -0.013 0.000 1.140 244 T CB -0.275 68.587 68.868 -0.010 0.000 0.886 244 T HN 0.689 nan 8.240 nan 0.000 0.470 245 Q N -0.163 119.627 119.800 -0.017 0.000 2.212 245 Q HA 0.107 4.448 4.340 0.001 0.000 0.199 245 Q C 0.534 176.519 176.000 -0.026 0.000 0.950 245 Q CA 0.280 56.072 55.803 -0.018 0.000 0.863 245 Q CB -0.050 28.678 28.738 -0.016 0.000 0.944 245 Q HN 0.531 nan 8.270 nan 0.000 0.465 246 C N 1.225 120.507 119.300 -0.031 0.000 2.520 246 C HA 0.188 4.649 4.460 0.001 0.000 0.369 246 C C 1.498 176.462 174.990 -0.043 0.000 1.244 246 C CA -0.048 58.945 59.018 -0.042 0.000 1.677 246 C CB -0.196 27.515 27.740 -0.048 0.000 2.324 246 C HN 0.470 nan 8.230 nan 0.000 0.557 247 T N 3.359 117.885 114.554 -0.048 0.000 3.057 247 T HA 0.127 4.478 4.350 0.001 0.000 0.254 247 T C 0.695 175.357 174.700 -0.063 0.000 1.094 247 T CA 0.952 63.023 62.100 -0.048 0.000 1.088 247 T CB 0.139 68.981 68.868 -0.043 0.000 0.934 247 T HN 0.801 nan 8.240 nan 0.000 0.497 251 S N 3.992 119.685 115.700 -0.012 0.000 2.454 251 S HA 0.867 5.338 4.470 0.001 0.000 0.306 251 S C 0.208 174.797 174.600 -0.018 0.000 1.100 251 S CA -0.239 57.996 58.200 0.059 0.000 1.087 251 S CB 1.540 64.798 63.200 0.097 0.000 1.019 251 S HN 0.766 nan 8.310 nan 0.000 0.480 252 A N 3.474 126.294 122.820 0.000 0.000 2.498 252 A HA 0.576 4.897 4.320 0.001 0.000 0.239 252 A C 0.668 177.865 177.584 -0.645 0.000 1.068 252 A CA 0.078 52.081 52.037 -0.058 0.000 0.766 252 A CB 0.252 19.331 19.000 0.132 0.000 1.003 252 A HN 0.857 nan 8.150 nan 0.000 0.497 253 S N -0.125 115.223 115.700 -0.587 0.000 3.359 253 S HA 0.873 5.344 4.470 0.001 0.000 0.323 253 S C -0.791 173.619 174.600 -0.316 0.000 1.143 253 S CA 0.178 57.809 58.200 -0.948 0.000 0.989 253 S CB 1.148 63.948 63.200 -0.667 0.000 1.375 253 S HN 2.323 nan 8.310 nan 0.000 0.728 254 A N 0.137 122.870 122.820 -0.145 0.000 2.604 254 A HA 0.575 4.896 4.320 0.001 0.000 0.295 254 A C 0.540 178.146 177.584 0.037 0.000 1.067 254 A CA -0.004 52.061 52.037 0.047 0.000 0.683 254 A CB 0.662 19.790 19.000 0.213 0.000 1.281 254 A HN 1.495 nan 8.150 nan 0.000 0.407 255 V N -0.363 119.607 119.914 0.094 0.000 3.026 255 V HA 0.058 4.179 4.120 0.001 0.000 0.265 255 V C 1.823 178.037 176.094 0.200 0.000 1.121 255 V CA 2.337 64.755 62.300 0.196 0.000 1.142 255 V CB -1.344 30.611 31.823 0.220 0.000 0.730 255 V HN 1.394 nan 8.190 nan 0.000 0.503 256 G N -0.223 108.663 108.800 0.144 0.000 2.501 256 G HA2 -0.292 3.669 3.960 0.001 0.000 0.220 256 G HA3 -0.292 3.669 3.960 0.001 0.000 0.220 256 G C 1.274 176.209 174.900 0.058 0.000 1.114 256 G CA 0.798 45.973 45.100 0.125 0.000 0.757 256 G HN 0.623 nan 8.290 nan 0.000 0.559 257 F N 0.784 120.623 119.950 -0.185 0.000 2.154 257 F HA -0.153 4.374 4.527 0.001 0.000 0.301 257 F C 1.936 177.529 175.800 -0.344 0.000 1.087 257 F CA 1.189 58.980 58.000 -0.349 0.000 1.274 257 F CB -0.004 38.633 39.000 -0.605 0.000 1.009 257 F HN 0.230 nan 8.300 nan 0.000 0.485 258 Y N 0.780 121.135 120.300 0.091 0.000 2.529 258 Y HA 0.369 4.920 4.550 0.001 0.000 0.290 258 Y C 1.255 177.118 175.900 -0.061 0.000 1.177 258 Y CA 0.187 58.288 58.100 0.002 0.000 1.305 258 Y CB -0.630 37.877 38.460 0.079 0.000 1.047 258 Y HN 0.189 nan 8.280 nan 0.000 0.522 259 G N -0.065 108.761 108.800 0.044 0.000 2.662 259 G HA2 -0.268 3.692 3.960 0.001 0.000 0.686 259 G HA3 -0.268 3.692 3.960 0.001 0.000 0.686 259 G C 0.185 175.151 174.900 0.109 0.000 1.271 259 G CA -0.226 44.906 45.100 0.053 0.000 0.816 259 G HN 0.588 nan 8.290 nan 0.000 0.608 260 H N -0.517 118.592 119.070 0.064 0.000 2.495 260 H HA 0.384 4.940 4.556 0.001 0.000 0.287 260 H C 0.667 176.049 175.328 0.089 0.000 1.033 260 H CA 1.279 57.373 56.048 0.077 0.000 1.307 260 H CB 0.642 30.441 29.762 0.062 0.000 1.401 260 H HN 0.556 nan 8.280 nan 0.000 0.555 261 D N -0.302 119.812 120.400 -0.477 0.000 2.478 261 D HA 0.189 4.830 4.640 0.001 0.000 0.240 261 D C -0.207 175.998 176.300 -0.159 0.000 1.364 261 D CA -0.666 53.126 54.000 -0.346 0.000 0.987 261 D CB 0.794 41.234 40.800 -0.600 0.000 1.328 261 D HN 0.170 nan 8.370 nan 0.000 0.584 262 R N 2.177 122.655 120.500 -0.038 0.000 2.543 262 R HA 0.394 4.735 4.340 0.001 0.000 0.323 262 R C 1.230 177.543 176.300 0.022 0.000 1.002 262 R CA 0.235 56.327 56.100 -0.014 0.000 1.106 262 R CB 0.551 30.841 30.300 -0.016 0.000 1.280 262 R HN 0.702 nan 8.270 nan 0.000 0.549 263 G N 1.918 110.762 108.800 0.073 0.000 2.561 263 G HA2 -0.344 3.616 3.960 0.001 0.000 0.289 263 G HA3 -0.344 3.616 3.960 0.001 0.000 0.289 263 G C 0.215 175.248 174.900 0.220 0.000 1.169 263 G CA 0.566 45.749 45.100 0.139 0.000 0.980 263 G HN 0.297 nan 8.290 nan 0.000 0.550 264 D N 1.744 122.245 120.400 0.168 0.000 2.340 264 D HA 0.181 4.822 4.640 0.001 0.000 0.217 264 D C 1.056 177.318 176.300 -0.063 0.000 1.081 264 D CA 0.528 54.617 54.000 0.148 0.000 0.842 264 D CB 0.233 41.163 40.800 0.217 0.000 0.934 264 D HN 0.595 nan 8.370 nan 0.000 0.511 265 E N 1.242 121.402 120.200 -0.066 0.000 2.366 265 E HA 0.045 4.396 4.350 0.001 0.000 0.266 265 E C -0.088 176.389 176.600 -0.205 0.000 1.015 265 E CA -0.192 56.142 56.400 -0.109 0.000 0.906 265 E CB 0.588 30.243 29.700 -0.075 0.000 0.979 265 E HN 0.100 nan 8.360 nan 0.000 0.443 266 I N 6.223 126.664 120.570 -0.215 0.000 2.436 266 I HA 0.030 4.200 4.170 0.001 0.000 0.289 266 I C -0.093 175.864 176.117 -0.266 0.000 1.083 266 I CA -0.162 60.975 61.300 -0.271 0.000 1.372 266 I CB 0.374 38.239 38.000 -0.226 0.000 1.408 266 I HN 0.408 nan 8.210 nan 0.000 0.516 267 L N 7.247 128.260 121.223 -0.351 0.000 2.265 267 L HA 0.415 4.756 4.340 0.001 0.000 0.288 267 L C 0.206 176.800 176.870 -0.460 0.000 1.058 267 L CA -0.083 54.451 54.840 -0.510 0.000 0.809 267 L CB 1.025 42.596 42.059 -0.814 0.000 1.179 267 L HN 0.558 nan 8.230 nan 0.000 0.429 268 T N 0.582 114.931 114.554 -0.340 0.000 2.926 268 T HA 0.187 4.538 4.350 0.001 0.000 0.289 268 T C 0.746 175.415 174.700 -0.052 0.000 1.054 268 T CA -0.576 61.420 62.100 -0.173 0.000 1.015 268 T CB 1.864 70.670 68.868 -0.103 0.000 1.167 268 T HN 0.505 nan 8.240 nan 0.000 0.526 269 E N 0.657 120.868 120.200 0.018 0.000 2.463 269 E HA -0.076 4.274 4.350 0.001 0.000 0.201 269 E C 1.602 178.252 176.600 0.083 0.000 1.045 269 E CA 0.735 57.184 56.400 0.082 0.000 0.872 269 E CB 0.103 29.811 29.700 0.013 0.000 0.797 269 E HN 0.421 nan 8.360 nan 0.000 0.538 270 E N 0.081 120.313 120.200 0.053 0.000 2.385 270 E HA 0.074 4.424 4.350 0.001 0.000 0.194 270 E C 0.269 176.925 176.600 0.094 0.000 1.013 270 E CA 0.159 56.591 56.400 0.055 0.000 0.866 270 E CB 0.232 29.942 29.700 0.017 0.000 0.832 270 E HN 0.053 nan 8.360 nan 0.000 0.500 271 S N 1.839 117.609 115.700 0.116 0.000 2.572 271 S HA 0.060 4.530 4.470 0.001 0.000 0.279 271 S C 0.409 175.186 174.600 0.295 0.000 1.341 271 S CA -0.160 58.123 58.200 0.137 0.000 1.043 271 S CB 0.958 64.161 63.200 0.005 0.000 0.887 271 S HN 0.093 nan 8.310 nan 0.000 0.516 272 E N 1.166 121.483 120.200 0.195 0.000 2.408 272 E HA 0.100 4.451 4.350 0.001 0.000 0.259 272 E C 0.316 177.017 176.600 0.169 0.000 1.110 272 E CA -0.151 56.351 56.400 0.170 0.000 0.929 272 E CB 0.454 30.192 29.700 0.065 0.000 0.971 272 E HN 0.498 nan 8.360 nan 0.000 0.438 273 S N 0.235 115.881 115.700 -0.090 0.000 2.576 273 S HA 0.175 4.646 4.470 0.001 0.000 0.272 273 S C 0.502 174.915 174.600 -0.313 0.000 1.352 273 S CA -0.039 57.763 58.200 -0.663 0.000 1.021 273 S CB 0.513 63.102 63.200 -1.017 0.000 0.887 273 S HN 0.542 nan 8.310 nan 0.000 0.542 274 G N 1.052 109.653 108.800 -0.332 0.000 2.570 274 G HA2 0.260 4.220 3.960 0.001 0.000 0.276 274 G HA3 0.260 4.220 3.960 0.001 0.000 0.276 274 G C -0.006 174.823 174.900 -0.118 0.000 1.346 274 G CA 0.188 45.206 45.100 -0.136 0.000 1.034 274 G HN 0.845 nan 8.290 nan 0.000 0.512 275 D N -1.975 118.399 120.400 -0.044 0.000 2.503 275 D HA 0.129 4.770 4.640 0.001 0.000 0.218 275 D C -0.059 176.258 176.300 0.029 0.000 1.183 275 D CA -0.188 53.803 54.000 -0.016 0.000 0.827 275 D CB 0.233 41.033 40.800 -0.000 0.000 1.034 275 D HN 0.352 nan 8.370 nan 0.000 0.510 276 D N -1.009 119.423 120.400 0.052 0.000 2.592 276 D HA 0.190 4.830 4.640 0.001 0.000 0.259 276 D C 0.566 176.937 176.300 0.120 0.000 1.144 276 D CA -1.044 53.029 54.000 0.123 0.000 1.080 276 D CB 0.059 40.990 40.800 0.220 0.000 1.225 276 D HN -0.129 nan 8.370 nan 0.000 0.619 277 F N -0.260 119.697 119.950 0.012 0.000 2.186 277 F HA -0.026 4.502 4.527 0.001 0.000 0.299 277 F C 1.928 177.726 175.800 -0.003 0.000 1.090 277 F CA 0.697 58.696 58.000 -0.003 0.000 1.307 277 F CB -0.246 38.751 39.000 -0.005 0.000 1.019 277 F HN 0.279 nan 8.300 nan 0.000 0.489 278 L N 1.079 122.310 121.223 0.014 0.000 2.012 278 L HA -0.122 4.218 4.340 0.001 0.000 0.210 278 L C 2.439 179.234 176.870 -0.124 0.000 1.073 278 L CA 2.328 57.133 54.840 -0.059 0.000 0.748 278 L CB -1.504 40.589 42.059 0.057 0.000 0.891 278 L HN 0.123 nan 8.230 nan 0.000 0.431 279 A N -0.836 121.919 122.820 -0.108 0.000 1.940 279 A HA -0.292 4.029 4.320 0.001 0.000 0.219 279 A C 2.336 179.767 177.584 -0.255 0.000 1.176 279 A CA 1.901 53.810 52.037 -0.214 0.000 0.631 279 A CB -0.795 18.062 19.000 -0.237 0.000 0.814 279 A HN 0.691 nan 8.150 nan 0.000 0.446 280 E N -0.254 119.797 120.200 -0.249 0.000 2.047 280 E HA -0.127 4.224 4.350 0.001 0.000 0.191 280 E C 1.866 178.302 176.600 -0.274 0.000 0.987 280 E CA 1.395 57.644 56.400 -0.251 0.000 0.799 280 E CB -0.175 29.387 29.700 -0.230 0.000 0.752 280 E HN 0.282 nan 8.360 nan 0.000 0.449 281 V N 0.802 120.456 119.914 -0.434 0.000 2.282 281 V HA -0.380 3.740 4.120 0.001 0.000 0.249 281 V C 2.561 178.639 176.094 -0.027 0.000 1.057 281 V CA 1.902 64.012 62.300 -0.318 0.000 1.032 281 V CB -0.544 31.038 31.823 -0.403 0.000 0.645 281 V HN 0.576 nan 8.190 nan 0.000 0.447 282 C N -0.529 118.794 119.300 0.038 0.000 2.425 282 C HA -0.116 4.344 4.460 0.001 0.000 0.277 282 C C 2.841 177.927 174.990 0.160 0.000 1.280 282 C CA 0.707 59.857 59.018 0.220 0.000 1.744 282 C CB -1.239 26.622 27.740 0.200 0.000 1.989 282 C HN 0.501 nan 8.230 nan 0.000 0.491 283 R N 1.017 121.546 120.500 0.048 0.000 2.083 283 R HA -0.136 4.204 4.340 0.001 0.000 0.237 283 R C 1.714 178.048 176.300 0.056 0.000 1.137 283 R CA 1.792 57.923 56.100 0.051 0.000 0.951 283 R CB -0.467 29.790 30.300 -0.071 0.000 0.851 283 R HN 0.543 nan 8.270 nan 0.000 0.434 284 D N -0.341 120.090 120.400 0.051 0.000 2.117 284 D HA -0.194 4.446 4.640 0.001 0.000 0.197 284 D C 1.502 177.915 176.300 0.188 0.000 0.987 284 D CA 0.734 54.795 54.000 0.101 0.000 0.829 284 D CB -0.346 40.479 40.800 0.042 0.000 0.961 284 D HN 0.264 nan 8.370 nan 0.000 0.460 285 W N 2.345 123.619 121.300 -0.043 0.000 2.335 285 W HA -0.121 4.539 4.660 0.001 0.000 0.311 285 W C 1.927 178.417 176.519 -0.048 0.000 1.213 285 W CA 1.271 58.597 57.345 -0.031 0.000 1.274 285 W CB -0.499 28.937 29.460 -0.040 0.000 1.148 285 W HN 0.049 nan 8.180 nan 0.000 0.498 286 E N -1.872 118.269 120.200 -0.098 0.000 2.072 286 E HA -0.265 4.086 4.350 0.001 0.000 0.191 286 E C 2.189 178.675 176.600 -0.191 0.000 0.985 286 E CA 1.362 57.473 56.400 -0.482 0.000 0.801 286 E CB -0.855 28.225 29.700 -1.032 0.000 0.750 286 E HN 0.375 nan 8.360 nan 0.000 0.452 287 H N 0.389 119.388 119.070 -0.118 0.000 2.491 287 H HA 0.037 4.593 4.556 0.001 0.000 0.290 287 H C 1.781 177.133 175.328 0.039 0.000 1.050 287 H CA 1.011 57.043 56.048 -0.027 0.000 1.309 287 H CB 0.239 29.994 29.762 -0.011 0.000 1.392 287 H HN 0.136 nan 8.280 nan 0.000 0.554 288 A N 0.559 123.380 122.820 0.000 0.000 2.178 288 A HA -0.125 4.196 4.320 0.001 0.000 0.218 288 A C 2.398 179.971 177.584 -0.018 0.000 1.157 288 A CA 1.595 53.620 52.037 -0.020 0.000 0.689 288 A CB -0.814 18.236 19.000 0.083 0.000 0.787 288 A HN 0.630 nan 8.150 nan 0.000 0.465 289 T N -3.418 111.157 114.554 0.034 0.000 3.148 289 T HA 0.356 4.707 4.350 0.001 0.000 0.253 289 T C 1.679 176.383 174.700 0.006 0.000 1.134 289 T CA 0.938 63.079 62.100 0.068 0.000 1.051 289 T CB -0.198 68.789 68.868 0.198 0.000 0.959 289 T HN 0.495 nan 8.240 nan 0.000 0.525 290 A N 3.043 125.808 122.820 -0.092 0.000 1.958 290 A HA -0.006 4.315 4.320 0.001 0.000 0.221 290 A C 0.242 177.796 177.584 -0.051 0.000 1.178 290 A CA 1.433 53.407 52.037 -0.106 0.000 0.642 290 A CB -1.650 17.172 19.000 -0.296 0.000 0.816 290 A HN 0.486 nan 8.150 nan 0.000 0.453 291 P HA -0.120 nan 4.420 nan 0.000 0.216 291 P C 1.709 179.003 177.300 -0.009 0.000 1.150 291 P CA 1.846 64.939 63.100 -0.012 0.000 0.837 291 P CB -0.101 31.604 31.700 0.008 0.000 0.786 292 A N 0.088 122.900 122.820 -0.014 0.000 1.873 292 A HA -0.173 4.148 4.320 0.001 0.000 0.215 292 A C 2.363 179.930 177.584 -0.029 0.000 1.186 292 A CA 2.388 54.411 52.037 -0.023 0.000 0.616 292 A CB -1.566 17.414 19.000 -0.033 0.000 0.823 292 A HN 0.328 nan 8.150 nan 0.000 0.442 293 S N 0.065 115.749 115.700 -0.026 0.000 2.406 293 S HA -0.138 4.332 4.470 0.001 0.000 0.228 293 S C 1.325 175.917 174.600 -0.013 0.000 1.020 293 S CA 1.222 59.405 58.200 -0.028 0.000 0.965 293 S CB -0.482 62.706 63.200 -0.019 0.000 0.798 293 S HN 0.484 nan 8.310 nan 0.000 0.488 294 D N 2.741 123.137 120.400 -0.006 0.000 2.182 294 D HA 0.036 4.676 4.640 0.001 0.000 0.201 294 D C 1.758 178.056 176.300 -0.003 0.000 0.986 294 D CA 1.381 55.382 54.000 0.001 0.000 0.847 294 D CB -0.454 40.349 40.800 0.005 0.000 0.942 294 D HN 0.611 nan 8.370 nan 0.000 0.467 295 A N -0.508 122.307 122.820 -0.008 0.000 2.302 295 A HA 0.446 4.766 4.320 0.001 0.000 0.219 295 A C 1.683 179.258 177.584 -0.015 0.000 1.243 295 A CA 0.857 52.889 52.037 -0.009 0.000 0.856 295 A CB -0.321 18.674 19.000 -0.010 0.000 0.893 295 A HN 0.225 nan 8.150 nan 0.000 0.491 296 G N -0.742 108.047 108.800 -0.017 0.000 2.159 296 G HA2 -0.263 3.697 3.960 0.001 0.000 0.256 296 G HA3 -0.263 3.697 3.960 0.001 0.000 0.256 296 G C 0.241 175.121 174.900 -0.032 0.000 0.977 296 G CA 0.650 45.737 45.100 -0.022 0.000 0.652 296 G HN 0.544 nan 8.290 nan 0.000 0.531 297 K N -0.061 120.315 120.400 -0.039 0.000 2.126 297 K HA 0.572 4.892 4.320 0.001 0.000 0.257 297 K C 0.821 177.377 176.600 -0.072 0.000 1.007 297 K CA -0.617 55.639 56.287 -0.052 0.000 0.928 297 K CB 0.527 32.995 32.500 -0.053 0.000 1.013 297 K HN 0.299 nan 8.250 nan 0.000 0.473 298 R N 1.326 121.775 120.500 -0.085 0.000 2.347 298 R HA 0.251 4.592 4.340 0.001 0.000 0.304 298 R C -1.166 175.039 176.300 -0.158 0.000 1.072 298 R CA -0.250 55.782 56.100 -0.114 0.000 0.980 298 R CB 0.321 30.557 30.300 -0.106 0.000 0.986 298 R HN 0.289 nan 8.270 nan 0.000 0.448 299 V N 3.627 123.409 119.914 -0.221 0.000 2.588 299 V HA 0.718 4.839 4.120 0.001 0.000 0.304 299 V C -0.483 175.289 176.094 -0.536 0.000 1.042 299 V CA -0.770 61.324 62.300 -0.344 0.000 0.877 299 V CB 1.633 33.249 31.823 -0.344 0.000 0.996 299 V HN 0.961 nan 8.190 nan 0.000 0.425 300 A N 3.936 126.406 122.820 -0.582 0.000 2.413 300 A HA 0.970 5.291 4.320 0.001 0.000 0.307 300 A C -1.449 175.685 177.584 -0.750 0.000 1.087 300 A CA -0.437 51.195 52.037 -0.675 0.000 0.750 300 A CB 1.351 20.121 19.000 -0.384 0.000 1.296 300 A HN 0.601 nan 8.150 nan 0.000 0.423 301 F N 1.886 121.691 119.950 -0.243 0.000 2.402 301 F HA 0.439 4.966 4.527 0.001 0.000 0.355 301 F C 0.008 175.608 175.800 -0.333 0.000 1.123 301 F CA -1.110 56.703 58.000 -0.312 0.000 1.021 301 F CB 1.428 40.210 39.000 -0.363 0.000 1.160 301 F HN 0.211 nan 8.300 nan 0.000 0.451 302 I N 4.226 124.671 120.570 -0.208 0.000 2.256 302 I HA 0.194 4.365 4.170 0.001 0.000 0.294 302 I C 0.390 176.379 176.117 -0.213 0.000 1.127 302 I CA -0.445 60.672 61.300 -0.305 0.000 1.247 302 I CB -0.077 37.556 38.000 -0.613 0.000 1.460 302 I HN 0.492 nan 8.210 nan 0.000 0.511 303 R N 4.029 124.424 120.500 -0.175 0.000 2.351 303 R HA 0.204 4.545 4.340 0.001 0.000 0.321 303 R C 0.078 176.343 176.300 -0.058 0.000 1.182 303 R CA -0.080 55.941 56.100 -0.132 0.000 1.011 303 R CB -0.059 30.161 30.300 -0.134 0.000 1.048 303 R HN 0.411 nan 8.270 nan 0.000 0.490 304 T N 1.208 115.747 114.554 -0.025 0.000 2.889 304 T HA 0.259 4.610 4.350 0.001 0.000 0.291 304 T C 1.054 175.774 174.700 0.034 0.000 0.995 304 T CA -0.534 61.575 62.100 0.015 0.000 1.092 304 T CB 1.734 70.648 68.868 0.077 0.000 0.954 304 T HN 0.652 nan 8.240 nan 0.000 0.506 305 G N 0.912 109.714 108.800 0.002 0.000 2.489 305 G HA2 0.417 4.377 3.960 0.001 0.000 0.271 305 G HA3 0.417 4.377 3.960 0.001 0.000 0.271 305 G C -0.325 174.586 174.900 0.018 0.000 1.427 305 G CA -0.642 44.446 45.100 -0.021 0.000 1.057 305 G HN 0.644 nan 8.290 nan 0.000 0.532 306 V N 1.215 121.114 119.914 -0.025 0.000 2.439 306 V HA 0.436 4.557 4.120 0.001 0.000 0.271 306 V C 0.959 177.128 176.094 0.125 0.000 1.040 306 V CA -0.363 61.973 62.300 0.060 0.000 1.002 306 V CB 0.276 32.134 31.823 0.058 0.000 1.000 306 V HN 0.846 nan 8.190 nan 0.000 0.477 307 A N 7.227 130.137 122.820 0.151 0.000 2.409 307 A HA 0.598 4.918 4.320 0.001 0.000 0.267 307 A C -0.234 177.470 177.584 0.200 0.000 1.127 307 A CA -0.299 51.843 52.037 0.175 0.000 0.795 307 A CB 0.012 19.103 19.000 0.152 0.000 1.061 307 A HN 0.824 nan 8.150 nan 0.000 0.502 308 L N 2.961 124.324 121.223 0.234 0.000 2.265 308 L HA 0.534 4.874 4.340 0.001 0.000 0.289 308 L C 0.433 177.394 176.870 0.152 0.000 1.033 308 L CA -0.171 54.789 54.840 0.200 0.000 0.814 308 L CB 1.281 43.465 42.059 0.210 0.000 1.203 308 L HN 0.695 nan 8.230 nan 0.000 0.423 309 S N 1.342 117.109 115.700 0.112 0.000 2.541 309 S HA 0.531 5.001 4.470 0.001 0.000 0.280 309 S C 0.844 175.471 174.600 0.045 0.000 1.112 309 S CA -0.143 58.108 58.200 0.085 0.000 0.925 309 S CB 1.893 65.144 63.200 0.085 0.000 1.067 309 S HN 0.741 nan 8.310 nan 0.000 0.479 310 G N 2.828 111.638 108.800 0.017 0.000 2.471 310 G HA2 -0.072 3.888 3.960 0.001 0.000 0.219 310 G HA3 -0.072 3.888 3.960 0.001 0.000 0.219 310 G C 1.141 176.036 174.900 -0.007 0.000 1.125 310 G CA 0.637 45.735 45.100 -0.002 0.000 0.775 310 G HN 0.828 nan 8.290 nan 0.000 0.548 311 R N -0.718 119.776 120.500 -0.011 0.000 2.362 311 R HA 0.484 4.825 4.340 0.001 0.000 0.227 311 R C 0.779 177.085 176.300 0.010 0.000 0.905 311 R CA 0.449 56.539 56.100 -0.016 0.000 1.067 311 R CB 0.355 30.631 30.300 -0.040 0.000 1.078 311 R HN 0.244 nan 8.270 nan 0.000 0.516 312 G N -0.877 107.941 108.800 0.029 0.000 2.349 312 G HA2 0.432 4.392 3.960 0.001 0.000 0.294 312 G HA3 0.432 4.392 3.960 0.001 0.000 0.294 312 G C -0.562 174.373 174.900 0.059 0.000 1.380 312 G CA -0.301 44.823 45.100 0.040 0.000 0.811 312 G HN 0.490 nan 8.290 nan 0.000 0.519 316 P HA 0.001 nan 4.420 nan 0.000 0.217 316 P C 1.942 179.289 177.300 0.079 0.000 1.150 316 P CA 1.678 64.811 63.100 0.056 0.000 0.832 316 P CB 0.066 31.793 31.700 0.045 0.000 0.787 317 L N -1.630 119.644 121.223 0.084 0.000 2.017 317 L HA -0.165 4.176 4.340 0.001 0.000 0.208 317 L C 2.478 179.430 176.870 0.138 0.000 1.073 317 L CA 1.380 56.274 54.840 0.090 0.000 0.745 317 L CB -1.170 40.935 42.059 0.077 0.000 0.894 317 L HN -0.031 nan 8.230 nan 0.000 0.432 318 L N 0.135 121.457 121.223 0.166 0.000 1.943 318 L HA -0.277 4.063 4.340 0.001 0.000 0.215 318 L C 2.758 179.900 176.870 0.453 0.000 1.074 318 L CA 1.639 56.672 54.840 0.322 0.000 0.759 318 L CB -0.738 41.424 42.059 0.171 0.000 0.888 318 L HN 0.268 nan 8.230 nan 0.000 0.433 319 K N -0.381 120.118 120.400 0.165 0.000 2.148 319 K HA -0.290 4.031 4.320 0.001 0.000 0.213 319 K C 1.902 178.680 176.600 0.297 0.000 1.050 319 K CA 2.426 58.787 56.287 0.122 0.000 0.932 319 K CB -0.274 32.256 32.500 0.049 0.000 0.717 319 K HN 0.334 nan 8.250 nan 0.000 0.462 320 T N 1.648 116.342 114.554 0.234 0.000 2.777 320 T HA -0.034 4.317 4.350 0.001 0.000 0.266 320 T C 1.272 176.057 174.700 0.142 0.000 1.040 320 T CA 0.978 63.174 62.100 0.161 0.000 1.141 320 T CB -0.053 68.866 68.868 0.086 0.000 0.868 320 T HN 0.217 nan 8.240 nan 0.000 0.444 321 L N 1.390 122.671 121.223 0.096 0.000 3.062 321 L HA 0.117 4.457 4.340 0.001 0.000 0.264 321 L C -0.258 176.053 176.870 -0.931 0.000 1.242 321 L CA 0.597 55.236 54.840 -0.334 0.000 1.072 321 L CB -0.866 40.926 42.059 -0.444 0.000 1.420 321 L HN 0.277 nan 8.230 nan 0.000 0.412 322 F N -1.607 118.338 119.950 -0.008 0.000 2.656 322 F HA 0.313 4.841 4.527 0.001 0.000 0.363 322 F C 0.773 176.568 175.800 -0.009 0.000 1.313 322 F CA -0.246 57.747 58.000 -0.012 0.000 1.089 322 F CB -0.029 38.961 39.000 -0.015 0.000 1.247 322 F HN 0.041 nan 8.300 nan 0.000 0.509 328 G N 0.936 109.617 108.800 -0.198 0.000 2.707 328 G HA2 0.309 4.270 3.960 0.001 0.000 0.686 328 G HA3 0.309 4.270 3.960 0.001 0.000 0.686 328 G C 0.022 174.933 174.900 0.018 0.000 1.315 328 G CA -0.140 44.941 45.100 -0.033 0.000 0.832 328 G HN 1.364 nan 8.290 nan 0.000 0.573 329 K N -0.191 120.231 120.400 0.037 0.000 2.326 329 K HA 0.456 4.776 4.320 0.001 0.000 0.275 329 K C -0.742 175.899 176.600 0.069 0.000 1.018 329 K CA -0.450 55.875 56.287 0.063 0.000 0.962 329 K CB 0.662 33.184 32.500 0.037 0.000 0.953 329 K HN 0.538 nan 8.250 nan 0.000 0.475 330 F N 3.815 123.750 119.950 -0.024 0.000 2.405 330 F HA 0.286 4.814 4.527 0.001 0.000 0.355 330 F C 1.029 176.820 175.800 -0.016 0.000 1.121 330 F CA 1.183 59.170 58.000 -0.020 0.000 1.112 330 F CB 0.731 39.723 39.000 -0.013 0.000 1.126 330 F HN 1.054 nan 8.300 nan 0.000 0.481 331 G N 5.301 113.984 108.800 -0.195 0.000 2.685 331 G HA2 -0.461 3.499 3.960 0.001 0.000 0.329 331 G HA3 -0.461 3.499 3.960 0.001 0.000 0.329 331 G C 0.985 175.894 174.900 0.016 0.000 1.271 331 G CA 0.771 45.833 45.100 -0.063 0.000 1.003 331 G HN 0.615 nan 8.290 nan 0.000 0.549 332 D N 1.541 121.976 120.400 0.058 0.000 2.158 332 D HA 0.068 4.708 4.640 0.001 0.000 0.197 332 D C 2.357 178.663 176.300 0.011 0.000 0.995 332 D CA 2.892 56.909 54.000 0.028 0.000 0.846 332 D CB -0.906 39.913 40.800 0.031 0.000 0.941 332 D HN 1.842 nan 8.370 nan 0.000 0.456 333 G N -0.896 107.926 108.800 0.037 0.000 2.184 333 G HA2 -0.343 3.618 3.960 0.001 0.000 0.264 333 G HA3 -0.343 3.618 3.960 0.001 0.000 0.264 333 G C 1.140 175.993 174.900 -0.080 0.000 0.975 333 G CA 1.420 46.519 45.100 -0.001 0.000 0.642 333 G HN 0.498 nan 8.290 nan 0.000 0.536 334 T N -1.636 112.863 114.554 -0.091 0.000 3.129 334 T HA 0.478 4.829 4.350 0.001 0.000 0.251 334 T C 1.183 175.701 174.700 -0.304 0.000 1.117 334 T CA 0.968 62.937 62.100 -0.219 0.000 1.034 334 T CB 0.255 69.040 68.868 -0.139 0.000 0.968 334 T HN 0.433 nan 8.240 nan 0.000 0.526 335 S N 1.846 117.469 115.700 -0.128 0.000 2.537 335 S HA 0.178 4.649 4.470 0.001 0.000 0.286 335 S C -0.552 174.021 174.600 -0.044 0.000 1.299 335 S CA -0.608 57.571 58.200 -0.036 0.000 1.067 335 S CB -0.080 63.141 63.200 0.036 0.000 0.864 335 S HN 0.560 nan 8.310 nan 0.000 0.494 336 W N 3.712 125.085 121.300 0.122 0.000 2.335 336 W HA 0.373 5.034 4.660 0.001 0.000 0.306 336 W C -0.104 176.555 176.519 0.234 0.000 1.216 336 W CA -0.598 56.839 57.345 0.153 0.000 1.237 336 W CB 0.360 29.876 29.460 0.093 0.000 1.243 336 W HN 0.522 nan 8.180 nan 0.000 0.493 337 F N 4.612 124.772 119.950 0.350 0.000 2.371 337 F HA 0.329 4.856 4.527 0.001 0.000 0.363 337 F C 0.312 176.343 175.800 0.385 0.000 1.122 337 F CA -1.017 57.160 58.000 0.295 0.000 1.129 337 F CB 0.708 39.844 39.000 0.226 0.000 1.173 337 F HN 0.077 nan 8.300 nan 0.000 0.489 338 S N 8.822 124.469 115.700 -0.089 0.000 2.409 338 S HA 0.413 4.883 4.470 0.001 0.000 0.308 338 S C -0.733 173.650 174.600 -0.362 0.000 1.080 338 S CA -0.581 57.525 58.200 -0.157 0.000 1.081 338 S CB -0.280 62.885 63.200 -0.059 0.000 1.009 338 S HN 0.698 nan 8.310 nan 0.000 0.502 339 W N 4.796 125.831 121.300 -0.441 0.000 2.882 339 W HA 0.791 5.452 4.660 0.001 0.000 0.345 339 W C -1.686 174.754 176.519 -0.133 0.000 1.125 339 W CA -1.449 55.651 57.345 -0.407 0.000 1.167 339 W CB 0.759 29.970 29.460 -0.415 0.000 1.431 339 W HN 0.510 nan 8.180 nan 0.000 0.543 340 I N 2.017 122.655 120.570 0.114 0.000 2.752 340 I HA 0.561 4.732 4.170 0.001 0.000 0.295 340 I C -0.422 175.922 176.117 0.378 0.000 1.219 340 I CA -0.698 60.616 61.300 0.024 0.000 1.030 340 I CB 2.102 40.079 38.000 -0.038 0.000 1.259 340 I HN 0.698 nan 8.210 nan 0.000 0.423 341 A N 6.284 129.384 122.820 0.468 0.000 2.462 341 A HA 0.198 4.518 4.320 0.001 0.000 0.243 341 A C 1.064 178.836 177.584 0.312 0.000 1.076 341 A CA 0.037 52.330 52.037 0.428 0.000 0.773 341 A CB 0.340 19.638 19.000 0.497 0.000 1.010 341 A HN 0.938 nan 8.150 nan 0.000 0.493 342 I N 0.725 121.450 120.570 0.259 0.000 2.264 342 I HA -0.227 3.944 4.170 0.001 0.000 0.248 342 I C 1.307 177.551 176.117 0.213 0.000 1.111 342 I CA 1.956 63.384 61.300 0.213 0.000 1.382 342 I CB -0.034 38.073 38.000 0.178 0.000 1.060 342 I HN 0.730 nan 8.210 nan 0.000 0.418 343 D N 0.823 121.382 120.400 0.265 0.000 2.144 343 D HA -0.189 4.451 4.640 0.001 0.000 0.200 343 D C 1.734 178.116 176.300 0.137 0.000 0.978 343 D CA 1.237 55.365 54.000 0.212 0.000 0.833 343 D CB -0.343 40.634 40.800 0.295 0.000 0.961 343 D HN 0.457 nan 8.370 nan 0.000 0.470 344 D N 0.365 120.901 120.400 0.227 0.000 2.178 344 D HA -0.109 4.532 4.640 0.001 0.000 0.202 344 D C 2.199 178.578 176.300 0.132 0.000 0.974 344 D CA 0.231 54.347 54.000 0.194 0.000 0.841 344 D CB 0.001 41.012 40.800 0.351 0.000 0.953 344 D HN 0.148 nan 8.370 nan 0.000 0.478 345 L N 1.077 122.392 121.223 0.153 0.000 2.027 345 L HA -0.146 4.194 4.340 0.001 0.000 0.206 345 L C 2.553 179.541 176.870 0.197 0.000 1.074 345 L CA 2.161 57.093 54.840 0.152 0.000 0.745 345 L CB -1.224 40.948 42.059 0.188 0.000 0.898 345 L HN 0.075 nan 8.230 nan 0.000 0.433 346 T N -3.896 110.754 114.554 0.160 0.000 2.788 346 T HA -0.188 4.163 4.350 0.001 0.000 0.268 346 T C 1.694 176.421 174.700 0.045 0.000 1.044 346 T CA 1.302 63.488 62.100 0.144 0.000 1.139 346 T CB -0.761 68.154 68.868 0.078 0.000 0.867 346 T HN 0.306 nan 8.240 nan 0.000 0.454 347 D N 1.420 121.723 120.400 -0.162 0.000 2.133 347 D HA -0.045 4.595 4.640 0.001 0.000 0.195 347 D C 1.986 178.284 176.300 -0.004 0.000 0.997 347 D CA 1.018 54.757 54.000 -0.435 0.000 0.840 347 D CB -0.420 40.125 40.800 -0.424 0.000 0.947 347 D HN 0.481 nan 8.370 nan 0.000 0.452 348 I N -0.457 120.107 120.570 -0.010 0.000 2.252 348 I HA -0.278 3.892 4.170 0.001 0.000 0.245 348 I C 2.023 178.088 176.117 -0.086 0.000 1.102 348 I CA 0.809 62.038 61.300 -0.119 0.000 1.385 348 I CB -0.195 37.659 38.000 -0.244 0.000 1.064 348 I HN 0.007 nan 8.210 nan 0.000 0.414 349 Y N -0.398 119.892 120.300 -0.017 0.000 2.128 349 Y HA -0.334 4.216 4.550 0.001 0.000 0.284 349 Y C 2.560 178.475 175.900 0.025 0.000 1.154 349 Y CA 2.109 60.196 58.100 -0.021 0.000 1.149 349 Y CB -0.764 37.679 38.460 -0.029 0.000 0.976 349 Y HN 0.118 nan 8.280 nan 0.000 0.505 350 Y N 0.850 121.221 120.300 0.119 0.000 2.128 350 Y HA -0.280 4.270 4.550 0.001 0.000 0.284 350 Y C 2.747 178.697 175.900 0.084 0.000 1.154 350 Y CA 1.914 60.075 58.100 0.102 0.000 1.149 350 Y CB -0.614 37.954 38.460 0.181 0.000 0.976 350 Y HN 0.008 nan 8.280 nan 0.000 0.505 351 R N 0.061 120.828 120.500 0.446 0.000 2.083 351 R HA -0.209 4.132 4.340 0.001 0.000 0.237 351 R C 2.351 178.669 176.300 0.030 0.000 1.137 351 R CA 1.538 57.773 56.100 0.225 0.000 0.951 351 R CB -0.611 29.807 30.300 0.197 0.000 0.851 351 R HN 0.415 nan 8.270 nan 0.000 0.434 352 A N 1.056 123.862 122.820 -0.024 0.000 1.940 352 A HA -0.166 4.154 4.320 0.001 0.000 0.219 352 A C 2.165 179.681 177.584 -0.115 0.000 1.176 352 A CA 1.576 53.551 52.037 -0.103 0.000 0.631 352 A CB -0.543 18.362 19.000 -0.158 0.000 0.814 352 A HN 0.398 nan 8.150 nan 0.000 0.446 353 I N -0.083 120.419 120.570 -0.112 0.000 2.163 353 I HA -0.246 3.925 4.170 0.001 0.000 0.243 353 I C 2.369 178.330 176.117 -0.260 0.000 1.085 353 I CA 1.907 63.089 61.300 -0.196 0.000 1.347 353 I CB -0.175 37.654 38.000 -0.284 0.000 1.044 353 I HN 0.379 nan 8.210 nan 0.000 0.408 354 V N -3.074 116.652 119.914 -0.314 0.000 3.471 354 V HA 0.134 4.255 4.120 0.001 0.000 0.258 354 V C 0.543 176.475 176.094 -0.269 0.000 1.192 354 V CA 0.295 62.297 62.300 -0.497 0.000 1.116 354 V CB -0.112 31.038 31.823 -1.121 0.000 0.792 354 V HN 0.196 nan 8.190 nan 0.000 0.459 355 D N 1.198 121.509 120.400 -0.147 0.000 2.443 355 D HA 0.582 5.222 4.640 0.001 0.000 0.221 355 D C 1.128 177.392 176.300 -0.059 0.000 1.097 355 D CA 0.309 54.273 54.000 -0.060 0.000 0.865 355 D CB 1.524 42.303 40.800 -0.034 0.000 1.034 355 D HN 0.273 nan 8.370 nan 0.000 0.511 356 A N 3.723 126.521 122.820 -0.036 0.000 2.225 356 A HA -0.161 4.160 4.320 0.001 0.000 0.215 356 A C 1.768 179.324 177.584 -0.047 0.000 1.164 356 A CA 1.022 53.033 52.037 -0.043 0.000 0.710 356 A CB -0.292 18.695 19.000 -0.022 0.000 0.780 356 A HN 0.692 nan 8.150 nan 0.000 0.473 357 Q N -0.653 119.124 119.800 -0.039 0.000 2.369 357 Q HA 0.097 4.437 4.340 0.001 0.000 0.206 357 Q C -0.115 175.845 176.000 -0.066 0.000 0.963 357 Q CA 0.358 56.135 55.803 -0.043 0.000 0.894 357 Q CB -0.026 28.694 28.738 -0.029 0.000 0.965 357 Q HN 0.669 nan 8.270 nan 0.000 0.475 358 I N 1.809 122.328 120.570 -0.086 0.000 2.301 358 I HA 0.093 4.264 4.170 0.001 0.000 0.292 358 I C -0.075 175.955 176.117 -0.146 0.000 1.046 358 I CA -0.314 60.915 61.300 -0.119 0.000 1.282 358 I CB 0.687 38.606 38.000 -0.134 0.000 1.409 358 I HN -0.011 nan 8.210 nan 0.000 0.484 359 S N 4.279 119.887 115.700 -0.154 0.000 2.565 359 S HA 0.896 5.367 4.470 0.001 0.000 0.269 359 S C -0.249 174.228 174.600 -0.204 0.000 1.153 359 S CA -0.111 57.972 58.200 -0.196 0.000 0.835 359 S CB 1.824 64.930 63.200 -0.155 0.000 1.122 359 S HN 1.206 nan 8.310 nan 0.000 0.462 360 G N 1.187 109.810 108.800 -0.296 0.000 2.642 360 G HA2 -0.039 3.921 3.960 0.001 0.000 0.231 360 G HA3 -0.039 3.921 3.960 0.001 0.000 0.231 360 G C -3.139 171.650 174.900 -0.185 0.000 1.338 360 G CA -0.338 44.631 45.100 -0.217 0.000 0.883 360 G HN 0.900 nan 8.290 nan 0.000 0.570 361 P HA 0.486 nan 4.420 nan 0.000 0.276 361 P C -0.415 176.833 177.300 -0.086 0.000 1.230 361 P CA 0.074 63.183 63.100 0.015 0.000 0.776 361 P CB 0.847 32.489 31.700 -0.097 0.000 0.888 362 I N 2.867 123.366 120.570 -0.119 0.000 2.447 362 I HA 0.231 4.402 4.170 0.001 0.000 0.287 362 I C 0.427 176.477 176.117 -0.111 0.000 1.023 362 I CA -0.775 60.446 61.300 -0.131 0.000 1.083 362 I CB 1.135 39.019 38.000 -0.193 0.000 1.245 362 I HN 0.262 nan 8.210 nan 0.000 0.434 363 N N 4.619 123.283 118.700 -0.060 0.000 2.406 363 N HA 0.297 5.037 4.740 0.001 0.000 0.265 363 N C 0.188 175.660 175.510 -0.063 0.000 1.203 363 N CA -0.166 52.865 53.050 -0.031 0.000 0.945 363 N CB 0.962 39.444 38.487 -0.008 0.000 1.165 363 N HN 0.701 nan 8.380 nan 0.000 0.485 364 A N 3.202 125.973 122.820 -0.081 0.000 2.923 364 A HA 0.379 4.699 4.320 0.001 0.000 0.306 364 A C 0.021 177.570 177.584 -0.059 0.000 1.542 364 A CA -0.460 51.533 52.037 -0.074 0.000 1.225 364 A CB -0.466 18.462 19.000 -0.121 0.000 1.147 364 A HN 0.457 nan 8.150 nan 0.000 0.542 365 V N -1.344 118.518 119.914 -0.087 0.000 3.049 365 V HA 0.910 5.030 4.120 0.001 0.000 0.309 365 V C 0.179 176.025 176.094 -0.412 0.000 1.148 365 V CA -0.692 61.457 62.300 -0.251 0.000 0.990 365 V CB 0.978 32.644 31.823 -0.262 0.000 1.039 365 V HN 1.245 nan 8.190 nan 0.000 0.430 366 A N 3.454 125.800 122.820 -0.789 0.000 2.466 366 A HA 0.602 4.922 4.320 0.001 0.000 0.238 366 A C -1.274 175.792 177.584 -0.864 0.000 1.074 366 A CA -0.648 50.752 52.037 -1.062 0.000 0.774 366 A CB -0.323 17.650 19.000 -1.711 0.000 1.015 366 A HN 0.852 nan 8.150 nan 0.000 0.498 367 P HA -0.078 nan 4.420 nan 0.000 0.221 367 P C -0.055 177.072 177.300 -0.289 0.000 1.145 367 P CA 1.256 64.053 63.100 -0.506 0.000 0.795 367 P CB 0.088 31.530 31.700 -0.429 0.000 0.775 368 N N -0.199 118.364 118.700 -0.228 0.000 2.851 368 N HA 0.206 4.947 4.740 0.001 0.000 0.248 368 N C -2.683 172.965 175.510 0.230 0.000 1.221 368 N CA -1.451 51.620 53.050 0.035 0.000 0.847 368 N CB 0.877 39.471 38.487 0.177 0.000 1.150 368 N HN 0.160 nan 8.380 nan 0.000 0.507 369 P HA 0.053 nan 4.420 nan 0.000 0.269 369 P C 0.004 177.676 177.300 0.620 0.000 1.215 369 P CA -0.164 63.144 63.100 0.347 0.000 0.780 369 P CB 1.079 32.862 31.700 0.140 0.000 0.898 370 V N -1.271 119.053 119.914 0.684 0.000 3.001 370 V HA 0.684 4.804 4.120 0.001 0.000 0.314 370 V C 0.121 176.393 176.094 0.297 0.000 1.099 370 V CA -1.100 61.488 62.300 0.481 0.000 0.989 370 V CB 1.353 33.355 31.823 0.300 0.000 1.040 370 V HN 0.678 nan 8.190 nan 0.000 0.434 371 S N 1.216 116.877 115.700 -0.065 0.000 2.585 371 S HA 0.134 4.605 4.470 0.001 0.000 0.273 371 S C 0.956 175.511 174.600 -0.074 0.000 1.339 371 S CA 0.608 58.644 58.200 -0.273 0.000 1.028 371 S CB 0.450 63.410 63.200 -0.401 0.000 0.906 371 S HN 1.195 nan 8.310 nan 0.000 0.528 372 N N 2.588 121.246 118.700 -0.070 0.000 2.094 372 N HA -0.213 4.528 4.740 0.001 0.000 0.191 372 N C 1.812 177.300 175.510 -0.036 0.000 1.023 372 N CA 2.068 55.094 53.050 -0.039 0.000 0.857 372 N CB -0.704 37.782 38.487 -0.002 0.000 1.013 372 N HN 0.805 nan 8.380 nan 0.000 0.426 373 A N -0.005 122.786 122.820 -0.049 0.000 1.908 373 A HA -0.104 4.217 4.320 0.001 0.000 0.218 373 A C 1.098 178.661 177.584 -0.035 0.000 1.181 373 A CA 1.321 53.338 52.037 -0.033 0.000 0.627 373 A CB -0.624 18.347 19.000 -0.048 0.000 0.818 373 A HN 0.437 nan 8.150 nan 0.000 0.445 377 K N 1.479 121.853 120.400 -0.043 0.000 2.032 377 K HA 0.138 4.458 4.320 0.001 0.000 0.209 377 K C 2.036 178.580 176.600 -0.094 0.000 1.048 377 K CA 2.013 58.271 56.287 -0.049 0.000 0.927 377 K CB -1.346 31.133 32.500 -0.035 0.000 0.712 377 K HN 0.548 nan 8.250 nan 0.000 0.441 378 I N 0.445 120.946 120.570 -0.115 0.000 2.208 378 I HA -0.228 3.943 4.170 0.001 0.000 0.245 378 I C 2.471 178.479 176.117 -0.182 0.000 1.097 378 I CA 1.158 62.380 61.300 -0.130 0.000 1.363 378 I CB -0.082 37.839 38.000 -0.132 0.000 1.051 378 I HN 0.225 nan 8.210 nan 0.000 0.413 379 L N 0.056 121.099 121.223 -0.300 0.000 2.456 379 L HA -0.152 4.189 4.340 0.001 0.000 0.224 379 L C 2.376 179.038 176.870 -0.347 0.000 1.148 379 L CA 0.814 55.384 54.840 -0.449 0.000 0.825 379 L CB -0.354 41.115 42.059 -0.983 0.000 0.937 379 L HN 0.273 nan 8.230 nan 0.000 0.450 380 A N -1.214 121.475 122.820 -0.219 0.000 1.993 380 A HA 0.098 4.419 4.320 0.001 0.000 0.207 380 A C 1.327 178.847 177.584 -0.107 0.000 1.224 380 A CA 0.689 52.656 52.037 -0.117 0.000 0.749 380 A CB -0.183 18.792 19.000 -0.042 0.000 0.884 380 A HN 0.359 nan 8.150 nan 0.000 0.467 404 G N -0.643 108.174 108.800 0.029 0.000 2.232 404 G HA2 0.082 4.042 3.960 0.001 0.000 0.226 404 G HA3 0.082 4.042 3.960 0.001 0.000 0.226 404 G C 1.490 176.412 174.900 0.037 0.000 0.996 404 G CA 1.521 46.639 45.100 0.030 0.000 0.626 404 G HN 2.054 nan 8.290 nan 0.000 0.509 405 A N 0.641 123.487 122.820 0.042 0.000 1.933 405 A HA 0.200 4.521 4.320 0.001 0.000 0.218 405 A C 1.938 179.534 177.584 0.020 0.000 1.175 405 A CA 2.269 54.334 52.037 0.047 0.000 0.628 405 A CB -0.376 18.659 19.000 0.059 0.000 0.814 405 A HN 0.584 nan 8.150 nan 0.000 0.444 406 E N 0.326 120.536 120.200 0.017 0.000 2.265 406 E HA -0.129 4.222 4.350 0.001 0.000 0.196 406 E C 1.307 177.914 176.600 0.012 0.000 0.996 406 E CA 1.362 57.778 56.400 0.027 0.000 0.832 406 E CB -0.113 29.611 29.700 0.039 0.000 0.756 406 E HN 0.791 nan 8.360 nan 0.000 0.491 407 E N -0.210 119.969 120.200 -0.035 0.000 2.501 407 E HA 0.147 4.497 4.350 0.001 0.000 0.201 407 E C 1.338 177.842 176.600 -0.160 0.000 1.016 407 E CA -0.198 56.127 56.400 -0.126 0.000 0.920 407 E CB 0.245 29.915 29.700 -0.049 0.000 1.023 407 E HN 0.183 nan 8.360 nan 0.000 0.474 408 L N 0.798 121.972 121.223 -0.082 0.000 2.127 408 L HA -0.174 4.167 4.340 0.001 0.000 0.211 408 L C 2.358 179.198 176.870 -0.051 0.000 1.089 408 L CA 1.141 55.984 54.840 0.004 0.000 0.757 408 L CB -0.284 41.821 42.059 0.076 0.000 0.899 408 L HN 0.200 nan 8.230 nan 0.000 0.434 409 A N -0.587 122.087 122.820 -0.245 0.000 2.209 409 A HA -0.026 4.294 4.320 0.001 0.000 0.212 409 A C 2.118 179.462 177.584 -0.400 0.000 1.158 409 A CA 0.613 52.465 52.037 -0.309 0.000 0.742 409 A CB -0.432 18.334 19.000 -0.390 0.000 0.790 409 A HN 0.393 nan 8.150 nan 0.000 0.472 410 L N -0.926 120.057 121.223 -0.399 0.000 2.291 410 L HA 0.020 4.360 4.340 0.001 0.000 0.214 410 L C 1.557 178.469 176.870 0.070 0.000 1.120 410 L CA 0.326 55.051 54.840 -0.192 0.000 0.799 410 L CB -0.432 41.538 42.059 -0.148 0.000 0.925 410 L HN 0.449 nan 8.230 nan 0.000 0.446 411 A N -0.720 122.155 122.820 0.092 0.000 2.293 411 A HA 0.505 4.825 4.320 0.001 0.000 0.302 411 A C -0.005 177.675 177.584 0.161 0.000 1.119 411 A CA -0.121 52.027 52.037 0.185 0.000 0.823 411 A CB 1.117 20.233 19.000 0.192 0.000 1.097 411 A HN 0.015 nan 8.150 nan 0.000 0.491 412 S N 0.715 116.509 115.700 0.157 0.000 2.673 412 S HA 0.477 4.947 4.470 0.001 0.000 0.256 412 S C -1.360 173.359 174.600 0.197 0.000 1.141 412 S CA -0.408 57.920 58.200 0.213 0.000 1.109 412 S CB 0.214 63.528 63.200 0.190 0.000 1.101 412 S HN 0.667 nan 8.310 nan 0.000 0.471 413 Q N 2.724 122.658 119.800 0.223 0.000 2.337 413 Q HA 0.366 4.706 4.340 0.001 0.000 0.264 413 Q C -0.444 175.580 176.000 0.040 0.000 1.007 413 Q CA -0.290 55.579 55.803 0.109 0.000 0.727 413 Q CB 1.850 30.658 28.738 0.117 0.000 1.256 413 Q HN 0.560 nan 8.270 nan 0.000 0.467 414 R N 2.336 122.744 120.500 -0.155 0.000 4.071 414 R HA 0.188 4.528 4.340 0.001 0.000 0.220 414 R C -0.821 175.260 176.300 -0.365 0.000 1.614 414 R CA 0.099 55.932 56.100 -0.446 0.000 1.505 414 R CB -0.093 29.640 30.300 -0.946 0.000 1.384 414 R HN 0.495 nan 8.270 nan 0.000 0.758 415 T N 0.889 115.292 114.554 -0.251 0.000 2.907 415 T HA 0.418 4.769 4.350 0.001 0.000 0.298 415 T C -0.042 174.503 174.700 -0.257 0.000 1.017 415 T CA -0.388 61.557 62.100 -0.260 0.000 1.118 415 T CB 1.649 70.419 68.868 -0.163 0.000 0.948 415 T HN 0.460 nan 8.240 nan 0.000 0.531 416 A N 4.051 126.726 122.820 -0.243 0.000 2.342 416 A HA 0.689 5.010 4.320 0.001 0.000 0.323 416 A C -2.476 175.021 177.584 -0.146 0.000 1.125 416 A CA -2.135 49.782 52.037 -0.200 0.000 0.785 416 A CB 1.099 19.991 19.000 -0.180 0.000 1.221 416 A HN 0.555 nan 8.150 nan 0.000 0.463 417 P HA 0.217 nan 4.420 nan 0.000 0.220 417 P C 0.774 178.073 177.300 -0.002 0.000 1.806 417 P CA 0.346 63.427 63.100 -0.031 0.000 0.976 417 P CB 0.373 32.113 31.700 0.066 0.000 1.952 418 A N 2.449 125.246 122.820 -0.038 0.000 1.902 418 A HA -0.095 4.226 4.320 0.001 0.000 0.217 418 A C 2.269 179.846 177.584 -0.011 0.000 1.181 418 A CA 1.889 53.909 52.037 -0.028 0.000 0.623 418 A CB -1.222 17.750 19.000 -0.047 0.000 0.818 418 A HN 0.365 nan 8.150 nan 0.000 0.443 419 A N -0.380 122.426 122.820 -0.023 0.000 1.902 419 A HA -0.023 4.298 4.320 0.001 0.000 0.217 419 A C 2.180 179.748 177.584 -0.027 0.000 1.181 419 A CA 1.500 53.518 52.037 -0.031 0.000 0.623 419 A CB -0.556 18.413 19.000 -0.053 0.000 0.818 419 A HN 0.472 nan 8.150 nan 0.000 0.443 420 L N -0.941 120.269 121.223 -0.022 0.000 2.056 420 L HA -0.168 4.172 4.340 0.001 0.000 0.207 420 L C 2.569 179.488 176.870 0.082 0.000 1.078 420 L CA 1.508 56.334 54.840 -0.023 0.000 0.749 420 L CB -0.573 41.431 42.059 -0.093 0.000 0.901 420 L HN 0.445 nan 8.230 nan 0.000 0.433 421 E N 0.051 120.324 120.200 0.121 0.000 2.110 421 E HA -0.203 4.147 4.350 0.001 0.000 0.193 421 E C 1.838 178.475 176.600 0.062 0.000 0.988 421 E CA 1.028 57.501 56.400 0.122 0.000 0.804 421 E CB -0.081 29.674 29.700 0.093 0.000 0.745 421 E HN 0.423 nan 8.360 nan 0.000 0.458 422 N N 0.457 119.177 118.700 0.033 0.000 2.309 422 N HA -0.096 4.645 4.740 0.001 0.000 0.182 422 N C 1.464 176.982 175.510 0.014 0.000 1.018 422 N CA 0.801 53.859 53.050 0.015 0.000 0.876 422 N CB 0.035 38.522 38.487 0.000 0.000 0.972 422 N HN 0.191 nan 8.380 nan 0.000 0.434 423 L N -0.014 121.220 121.223 0.019 0.000 2.591 423 L HA 0.142 4.483 4.340 0.001 0.000 0.228 423 L C 0.232 177.121 176.870 0.031 0.000 1.133 423 L CA 0.013 54.863 54.840 0.017 0.000 0.880 423 L CB -0.050 42.012 42.059 0.005 0.000 1.033 423 L HN -0.095 nan 8.230 nan 0.000 0.450 424 S N -1.021 114.706 115.700 0.045 0.000 3.672 424 S HA -0.248 4.223 4.470 0.001 0.000 0.319 424 S C 0.389 175.009 174.600 0.033 0.000 1.151 424 S CA 0.386 58.610 58.200 0.040 0.000 0.911 424 S CB -1.869 61.340 63.200 0.015 0.000 0.939 424 S HN 0.665 nan 8.310 nan 0.000 0.524 425 H N 1.795 120.828 119.070 -0.062 0.000 2.928 425 H HA 0.343 4.900 4.556 0.001 0.000 0.338 425 H C 0.493 175.721 175.328 -0.167 0.000 1.047 425 H CA 1.388 57.335 56.048 -0.167 0.000 1.435 425 H CB 0.546 30.121 29.762 -0.310 0.000 1.428 425 H HN 0.179 nan 8.280 nan 0.000 0.590 426 T N 6.596 120.757 114.554 -0.654 0.000 2.771 426 T HA 0.243 4.593 4.350 0.001 0.000 0.291 426 T C -0.506 173.843 174.700 -0.585 0.000 0.954 426 T CA -0.287 61.573 62.100 -0.400 0.000 1.045 426 T CB -0.005 68.711 68.868 -0.253 0.000 0.917 426 T HN 0.309 nan 8.240 nan 0.000 0.484 427 F N 1.822 121.687 119.950 -0.141 0.000 2.399 427 F HA 0.429 4.957 4.527 0.001 0.000 0.334 427 F C 1.797 177.516 175.800 -0.136 0.000 1.097 427 F CA -0.936 57.027 58.000 -0.062 0.000 1.076 427 F CB 1.263 40.274 39.000 0.018 0.000 1.162 427 F HN 0.467 nan 8.300 nan 0.000 0.495 428 R N 1.292 121.771 120.500 -0.035 0.000 2.075 428 R HA -0.071 4.269 4.340 0.001 0.000 0.232 428 R C -0.720 175.170 176.300 -0.684 0.000 1.126 428 R CA 1.235 57.071 56.100 -0.440 0.000 0.963 428 R CB -0.074 29.863 30.300 -0.605 0.000 0.858 428 R HN 0.483 nan 8.270 nan 0.000 0.435 429 Y N -0.238 120.187 120.300 0.210 0.000 2.402 429 Y HA 0.144 4.695 4.550 0.001 0.000 0.325 429 Y C 0.915 176.966 175.900 0.252 0.000 1.009 429 Y CA -0.847 57.392 58.100 0.232 0.000 1.278 429 Y CB 1.655 40.282 38.460 0.278 0.000 1.105 429 Y HN -0.012 nan 8.280 nan 0.000 0.476 430 T N -3.104 111.619 114.554 0.283 0.000 3.054 430 T HA 0.082 4.432 4.350 0.001 0.000 0.259 430 T C 0.070 174.972 174.700 0.335 0.000 1.092 430 T CA 0.413 62.603 62.100 0.150 0.000 1.121 430 T CB 0.136 69.047 68.868 0.071 0.000 0.912 430 T HN 0.328 nan 8.240 nan 0.000 0.489 431 D N 0.521 121.168 120.400 0.412 0.000 2.278 431 D HA 0.375 5.016 4.640 0.001 0.000 0.245 431 D C 0.869 177.313 176.300 0.240 0.000 1.052 431 D CA -0.629 53.585 54.000 0.357 0.000 0.834 431 D CB 2.451 43.371 40.800 0.201 0.000 1.194 431 D HN 0.052 nan 8.370 nan 0.000 0.481 432 I N 1.560 122.079 120.570 -0.085 0.000 2.361 432 I HA -0.177 3.993 4.170 0.001 0.000 0.251 432 I C 2.085 177.995 176.117 -0.345 0.000 1.133 432 I CA 1.320 62.147 61.300 -0.788 0.000 1.413 432 I CB 0.130 37.435 38.000 -1.158 0.000 1.073 432 I HN 0.512 nan 8.210 nan 0.000 0.424 433 G N 0.236 108.949 108.800 -0.145 0.000 2.440 433 G HA2 -0.317 3.643 3.960 0.001 0.000 0.218 433 G HA3 -0.317 3.643 3.960 0.001 0.000 0.218 433 G C 1.718 176.612 174.900 -0.010 0.000 1.154 433 G CA 0.772 45.835 45.100 -0.062 0.000 0.767 433 G HN 0.557 nan 8.290 nan 0.000 0.552 434 A N 0.941 123.792 122.820 0.052 0.000 1.930 434 A HA 0.368 4.688 4.320 0.001 0.000 0.217 434 A C 2.789 180.366 177.584 -0.012 0.000 1.175 434 A CA 2.029 54.138 52.037 0.120 0.000 0.627 434 A CB -0.645 18.513 19.000 0.264 0.000 0.815 434 A HN 0.751 nan 8.150 nan 0.000 0.443 435 A N 0.011 122.779 122.820 -0.087 0.000 1.898 435 A HA -0.059 4.261 4.320 0.001 0.000 0.216 435 A C 2.090 179.540 177.584 -0.224 0.000 1.181 435 A CA 1.509 53.357 52.037 -0.315 0.000 0.620 435 A CB -0.559 18.424 19.000 -0.028 0.000 0.819 435 A HN 0.480 nan 8.150 nan 0.000 0.442 436 I N -0.305 120.164 120.570 -0.169 0.000 2.315 436 I HA -0.231 3.939 4.170 0.001 0.000 0.248 436 I C 2.932 178.939 176.117 -0.184 0.000 1.117 436 I CA 0.893 62.102 61.300 -0.152 0.000 1.404 436 I CB -0.266 37.657 38.000 -0.129 0.000 1.071 436 I HN 0.346 nan 8.210 nan 0.000 0.419 437 A N 0.144 122.917 122.820 -0.078 0.000 1.908 437 A HA -0.315 4.005 4.320 0.001 0.000 0.218 437 A C 2.188 179.697 177.584 -0.126 0.000 1.181 437 A CA 2.180 54.190 52.037 -0.045 0.000 0.627 437 A CB -0.934 18.134 19.000 0.113 0.000 0.818 437 A HN 0.510 nan 8.150 nan 0.000 0.445 438 H N -0.297 118.680 119.070 -0.154 0.000 2.326 438 H HA -0.047 4.510 4.556 0.001 0.000 0.301 438 H C 1.901 177.252 175.328 0.038 0.000 1.081 438 H CA 1.896 57.919 56.048 -0.042 0.000 1.334 438 H CB 0.073 29.704 29.762 -0.217 0.000 1.385 438 H HN 0.375 nan 8.280 nan 0.000 0.504 439 E N 0.043 120.181 120.200 -0.103 0.000 2.216 439 E HA -0.027 4.324 4.350 0.001 0.000 0.192 439 E C 1.887 178.415 176.600 -0.120 0.000 0.988 439 E CA 0.612 56.963 56.400 -0.081 0.000 0.834 439 E CB 0.219 29.899 29.700 -0.033 0.000 0.772 439 E HN 0.534 nan 8.360 nan 0.000 0.479 440 L N -0.673 120.290 121.223 -0.435 0.000 2.640 440 L HA 0.258 4.598 4.340 0.001 0.000 0.230 440 L C 0.823 176.924 176.870 -1.283 0.000 1.123 440 L CA 0.245 54.672 54.840 -0.689 0.000 0.900 440 L CB 0.332 41.901 42.059 -0.817 0.000 1.146 440 L HN 0.113 nan 8.230 nan 0.000 0.484 441 G N -0.112 107.852 108.800 -1.393 0.000 2.303 441 G HA2 -0.293 3.668 3.960 0.001 0.000 0.260 441 G HA3 -0.293 3.668 3.960 0.001 0.000 0.260 441 G C -0.158 174.331 174.900 -0.685 0.000 1.106 441 G CA -0.272 43.777 45.100 -1.752 0.000 0.900 441 G HN 0.272 nan 8.290 nan 0.000 0.495 442 Y N 0.051 120.161 120.300 -0.317 0.000 2.584 442 Y HA 0.359 4.909 4.550 0.001 0.000 0.254 442 Y C 1.261 177.124 175.900 -0.062 0.000 1.177 442 Y CA -1.233 56.769 58.100 -0.163 0.000 1.216 442 Y CB 0.132 38.518 38.460 -0.123 0.000 1.172 442 Y HN 0.497 nan 8.280 nan 0.000 0.529 443 E N 0.777 121.028 120.200 0.086 0.000 2.345 443 E HA 0.273 4.624 4.350 0.001 0.000 0.259 443 E C -0.431 176.244 176.600 0.124 0.000 1.117 443 E CA -0.469 56.011 56.400 0.133 0.000 0.913 443 E CB 0.812 30.625 29.700 0.188 0.000 1.057 443 E HN 0.266 nan 8.360 nan 0.000 0.432 444 Q N 0.841 120.715 119.800 0.123 0.000 2.235 444 Q HA 0.361 4.702 4.340 0.001 0.000 0.256 444 Q C -0.479 175.594 176.000 0.121 0.000 0.951 444 Q CA -0.640 55.228 55.803 0.109 0.000 0.890 444 Q CB 1.356 30.150 28.738 0.092 0.000 1.279 444 Q HN 0.350 nan 8.270 nan 0.000 0.444 445 L N 1.338 122.630 121.223 0.115 0.000 2.529 445 L HA -0.125 4.215 4.340 0.001 0.000 0.287 445 L C 1.382 178.321 176.870 0.115 0.000 1.241 445 L CA 0.009 54.918 54.840 0.114 0.000 0.857 445 L CB 0.123 42.240 42.059 0.097 0.000 1.113 445 L HN 0.928 nan 8.230 nan 0.000 0.504 446 A N 1.937 124.834 122.820 0.128 0.000 1.917 446 A HA -0.198 4.123 4.320 0.001 0.000 0.219 446 A C 1.201 178.881 177.584 0.159 0.000 1.182 446 A CA 1.436 53.571 52.037 0.164 0.000 0.633 446 A CB -0.362 18.776 19.000 0.231 0.000 0.819 446 A HN 0.851 nan 8.150 nan 0.000 0.448 447 D N -0.407 120.081 120.400 0.147 0.000 2.455 447 D HA 0.317 4.957 4.640 0.001 0.000 0.234 447 D C 1.096 177.448 176.300 0.087 0.000 1.224 447 D CA 0.546 54.620 54.000 0.123 0.000 0.999 447 D CB -0.396 40.471 40.800 0.112 0.000 1.072 447 D HN 0.259 nan 8.370 nan 0.000 0.514 448 F N 2.241 122.239 119.950 0.080 0.000 2.095 448 F HA -0.104 4.424 4.527 0.001 0.000 0.298 448 F C 2.408 178.236 175.800 0.046 0.000 1.104 448 F CA 1.457 59.494 58.000 0.062 0.000 1.232 448 F CB -1.085 37.949 39.000 0.056 0.000 0.987 448 F HN 0.631 nan 8.300 nan 0.000 0.475 449 A N -0.954 121.890 122.820 0.040 0.000 1.908 449 A HA -0.240 4.080 4.320 0.001 0.000 0.218 449 A C 2.123 179.724 177.584 0.027 0.000 1.181 449 A CA 1.917 53.971 52.037 0.028 0.000 0.627 449 A CB -1.193 17.820 19.000 0.021 0.000 0.818 449 A HN 0.746 nan 8.150 nan 0.000 0.445 450 Q N -1.026 118.795 119.800 0.034 0.000 2.079 450 Q HA -0.275 4.066 4.340 0.001 0.000 0.200 450 Q C 2.243 178.260 176.000 0.028 0.000 0.974 450 Q CA 1.882 57.702 55.803 0.027 0.000 0.840 450 Q CB -0.181 28.575 28.738 0.029 0.000 0.898 450 Q HN 0.712 nan 8.270 nan 0.000 0.430 451 Q N 0.560 120.383 119.800 0.039 0.000 2.045 451 Q HA -0.259 4.082 4.340 0.001 0.000 0.206 451 Q C 1.954 177.972 176.000 0.030 0.000 0.991 451 Q CA 2.443 58.270 55.803 0.041 0.000 0.851 451 Q CB -0.147 28.622 28.738 0.053 0.000 0.911 451 Q HN 0.483 nan 8.270 nan 0.000 0.418 452 Q N -0.347 119.469 119.800 0.027 0.000 2.096 452 Q HA -0.204 4.137 4.340 0.001 0.000 0.204 452 Q C 2.072 178.080 176.000 0.014 0.000 0.982 452 Q CA 1.748 57.562 55.803 0.019 0.000 0.850 452 Q CB -0.059 28.690 28.738 0.017 0.000 0.901 452 Q HN 0.553 nan 8.270 nan 0.000 0.422 453 E N 0.359 120.568 120.200 0.014 0.000 2.072 453 E HA -0.147 4.204 4.350 0.001 0.000 0.191 453 E C 1.918 178.523 176.600 0.009 0.000 0.985 453 E CA 0.794 57.199 56.400 0.010 0.000 0.801 453 E CB -0.054 29.651 29.700 0.008 0.000 0.750 453 E HN 0.362 nan 8.360 nan 0.000 0.452 454 I N 1.463 122.040 120.570 0.012 0.000 2.454 454 I HA -0.205 3.966 4.170 0.001 0.000 0.254 454 I C 1.023 177.147 176.117 0.012 0.000 1.156 454 I CA 0.967 62.274 61.300 0.012 0.000 1.433 454 I CB -0.147 37.863 38.000 0.017 0.000 1.082 454 I HN 0.013 nan 8.210 nan 0.000 0.432 455 E N 1.586 121.794 120.200 0.013 0.000 2.705 455 E HA 0.310 4.661 4.350 0.001 0.000 0.272 455 E C -0.027 176.576 176.600 0.005 0.000 1.528 455 E CA -0.251 56.154 56.400 0.009 0.000 1.750 455 E CB 0.018 29.723 29.700 0.008 0.000 1.439 455 E HN 0.425 nan 8.360 nan 0.000 0.449 485 L N 0.864 122.080 121.223 -0.012 0.000 2.436 485 L HA 0.506 4.846 4.340 0.001 0.000 0.265 485 L C 0.931 177.788 176.870 -0.022 0.000 1.168 485 L CA -0.078 54.750 54.840 -0.019 0.000 0.815 485 L CB 0.993 43.050 42.059 -0.004 0.000 1.109 485 L HN 0.776 nan 8.230 nan 0.000 0.462 486 E N 0.402 120.583 120.200 -0.033 0.000 2.171 486 E HA 0.262 4.612 4.350 0.001 0.000 0.271 486 E C -1.054 175.536 176.600 -0.017 0.000 0.916 486 E CA -0.810 55.573 56.400 -0.028 0.000 0.774 486 E CB 1.508 31.182 29.700 -0.044 0.000 1.128 486 E HN 0.616 nan 8.360 nan 0.000 0.403 487 D N 2.675 123.070 120.400 -0.007 0.000 2.358 487 D HA 0.071 4.712 4.640 0.001 0.000 0.244 487 D C -1.895 174.405 176.300 0.001 0.000 1.163 487 D CA -1.656 52.345 54.000 0.002 0.000 0.945 487 D CB 0.562 41.366 40.800 0.007 0.000 1.152 487 D HN 0.027 nan 8.370 nan 0.000 0.451 488 P HA -0.238 nan 4.420 nan 0.000 0.216 488 P C 1.224 178.528 177.300 0.007 0.000 1.157 488 P CA 2.015 65.123 63.100 0.013 0.000 0.880 488 P CB -0.017 31.697 31.700 0.024 0.000 0.791 489 E N 0.272 120.476 120.200 0.007 0.000 2.085 489 E HA -0.249 4.101 4.350 0.001 0.000 0.194 489 E C 1.784 178.382 176.600 -0.003 0.000 0.994 489 E CA 1.325 57.727 56.400 0.003 0.000 0.801 489 E CB -0.415 29.288 29.700 0.005 0.000 0.743 489 E HN 0.286 nan 8.360 nan 0.000 0.453 490 E N 0.150 120.347 120.200 -0.006 0.000 2.110 490 E HA -0.156 4.195 4.350 0.001 0.000 0.193 490 E C 2.270 178.858 176.600 -0.021 0.000 0.988 490 E CA 1.333 57.725 56.400 -0.013 0.000 0.804 490 E CB 0.087 29.778 29.700 -0.015 0.000 0.745 490 E HN 0.179 nan 8.360 nan 0.000 0.458 491 V N 1.813 121.715 119.914 -0.021 0.000 2.343 491 V HA -0.223 3.897 4.120 0.001 0.000 0.247 491 V C 2.216 178.294 176.094 -0.027 0.000 1.051 491 V CA 1.607 63.888 62.300 -0.032 0.000 1.036 491 V CB -0.405 31.402 31.823 -0.028 0.000 0.654 491 V HN 0.197 nan 8.190 nan 0.000 0.451 492 E N -0.176 120.016 120.200 -0.015 0.000 2.085 492 E HA -0.218 4.133 4.350 0.001 0.000 0.194 492 E C 2.363 178.954 176.600 -0.015 0.000 0.994 492 E CA 1.137 57.530 56.400 -0.012 0.000 0.801 492 E CB -0.297 29.401 29.700 -0.004 0.000 0.743 492 E HN 0.565 nan 8.360 nan 0.000 0.453 493 Q N 0.349 120.141 119.800 -0.014 0.000 2.084 493 Q HA -0.044 4.297 4.340 0.001 0.000 0.202 493 Q C 2.349 178.338 176.000 -0.019 0.000 0.978 493 Q CA 0.898 56.693 55.803 -0.013 0.000 0.844 493 Q CB -0.488 28.243 28.738 -0.011 0.000 0.898 493 Q HN 0.119 nan 8.270 nan 0.000 0.426 494 S N 0.843 116.526 115.700 -0.027 0.000 2.370 494 S HA -0.090 4.381 4.470 0.001 0.000 0.226 494 S C 2.063 176.640 174.600 -0.039 0.000 1.033 494 S CA 0.884 59.062 58.200 -0.037 0.000 1.011 494 S CB -0.209 62.959 63.200 -0.054 0.000 0.852 494 S HN 0.292 nan 8.310 nan 0.000 0.457 495 I N 0.855 121.400 120.570 -0.041 0.000 2.163 495 I HA -0.176 3.995 4.170 0.001 0.000 0.240 495 I C 1.950 178.051 176.117 -0.026 0.000 1.081 495 I CA 0.835 62.109 61.300 -0.043 0.000 1.353 495 I CB -0.361 37.613 38.000 -0.044 0.000 1.054 495 I HN 0.217 nan 8.210 nan 0.000 0.407 496 L N 0.238 121.451 121.223 -0.017 0.000 2.012 496 L HA -0.250 4.091 4.340 0.001 0.000 0.210 496 L C 2.731 179.602 176.870 0.001 0.000 1.073 496 L CA 1.857 56.694 54.840 -0.007 0.000 0.748 496 L CB -1.227 40.829 42.059 -0.005 0.000 0.891 496 L HN 0.204 nan 8.230 nan 0.000 0.431 497 S N -1.684 114.015 115.700 -0.003 0.000 2.382 497 S HA -0.212 4.259 4.470 0.001 0.000 0.228 497 S C 2.372 176.980 174.600 0.014 0.000 1.027 497 S CA 1.630 59.832 58.200 0.003 0.000 0.991 497 S CB -0.292 62.906 63.200 -0.004 0.000 0.823 497 S HN 0.486 nan 8.310 nan 0.000 0.469 498 S N 0.372 116.075 115.700 0.005 0.000 2.383 498 S HA 0.013 4.483 4.470 0.001 0.000 0.227 498 S C 1.760 176.393 174.600 0.056 0.000 1.026 498 S CA 1.220 59.431 58.200 0.019 0.000 0.981 498 S CB -0.493 62.699 63.200 -0.013 0.000 0.818 498 S HN 0.602 nan 8.310 nan 0.000 0.472 499 I N 0.798 121.389 120.570 0.036 0.000 2.142 499 I HA -0.146 4.024 4.170 0.001 0.000 0.240 499 I C 2.250 178.432 176.117 0.109 0.000 1.078 499 I CA 0.763 62.099 61.300 0.059 0.000 1.343 499 I CB -0.348 37.663 38.000 0.018 0.000 1.046 499 I HN 0.297 nan 8.210 nan 0.000 0.405 500 L N 1.203 122.465 121.223 0.065 0.000 2.043 500 L HA -0.280 4.060 4.340 0.001 0.000 0.212 500 L C 2.214 179.120 176.870 0.060 0.000 1.075 500 L CA 2.005 56.878 54.840 0.055 0.000 0.752 500 L CB -1.240 40.836 42.059 0.029 0.000 0.891 500 L HN 0.320 nan 8.230 nan 0.000 0.432 501 N N -1.092 117.648 118.700 0.066 0.000 2.084 501 N HA -0.295 4.446 4.740 0.001 0.000 0.190 501 N C 1.928 177.478 175.510 0.067 0.000 1.030 501 N CA 1.669 54.752 53.050 0.054 0.000 0.849 501 N CB -0.419 38.100 38.487 0.054 0.000 1.012 501 N HN 0.329 nan 8.380 nan 0.000 0.423 502 F N 1.058 121.002 119.950 -0.010 0.000 2.102 502 F HA -0.039 4.488 4.527 0.001 0.000 0.298 502 F C 2.254 178.034 175.800 -0.034 0.000 1.105 502 F CA 1.406 59.399 58.000 -0.011 0.000 1.239 502 F CB -0.169 38.833 39.000 0.003 0.000 0.991 502 F HN -0.001 nan 8.300 nan 0.000 0.474 503 R N -0.304 120.275 120.500 0.131 0.000 2.092 503 R HA -0.118 4.223 4.340 0.001 0.000 0.231 503 R C 2.412 178.648 176.300 -0.106 0.000 1.119 503 R CA 1.367 57.475 56.100 0.014 0.000 0.970 503 R CB -0.389 29.966 30.300 0.092 0.000 0.864 503 R HN 0.253 nan 8.270 nan 0.000 0.440 504 R N 1.036 121.493 120.500 -0.072 0.000 2.081 504 R HA -0.168 4.173 4.340 0.001 0.000 0.235 504 R C 2.101 178.323 176.300 -0.130 0.000 1.131 504 R CA 1.689 57.742 56.100 -0.078 0.000 0.960 504 R CB 0.007 30.285 30.300 -0.037 0.000 0.856 504 R HN -0.117 nan 8.270 nan 0.000 0.436 505 K N 0.639 120.938 120.400 -0.168 0.000 2.025 505 K HA -0.154 4.167 4.320 0.001 0.000 0.207 505 K C 2.058 178.495 176.600 -0.271 0.000 1.049 505 K CA 1.744 57.914 56.287 -0.194 0.000 0.933 505 K CB -0.233 32.145 32.500 -0.203 0.000 0.714 505 K HN 0.081 nan 8.250 nan 0.000 0.438 506 R N 0.479 120.726 120.500 -0.421 0.000 2.081 506 R HA -0.129 4.211 4.340 0.001 0.000 0.235 506 R C 2.202 178.318 176.300 -0.308 0.000 1.131 506 R CA 1.833 57.684 56.100 -0.415 0.000 0.960 506 R CB -0.510 29.463 30.300 -0.544 0.000 0.856 506 R HN 0.387 nan 8.270 nan 0.000 0.436 507 N N 0.522 119.046 118.700 -0.294 0.000 2.166 507 N HA -0.207 4.533 4.740 0.001 0.000 0.186 507 N C 1.236 176.448 175.510 -0.495 0.000 1.019 507 N CA 1.829 54.652 53.050 -0.378 0.000 0.856 507 N CB -0.252 38.072 38.487 -0.273 0.000 0.993 507 N HN 0.248 nan 8.380 nan 0.000 0.426 508 D N 0.625 120.846 120.400 -0.299 0.000 2.117 508 D HA -0.101 4.540 4.640 0.001 0.000 0.197 508 D C 2.305 178.395 176.300 -0.349 0.000 0.987 508 D CA 1.423 55.253 54.000 -0.283 0.000 0.829 508 D CB -0.398 40.333 40.800 -0.116 0.000 0.961 508 D HN 0.266 nan 8.370 nan 0.000 0.460 509 L N 0.650 121.769 121.223 -0.173 0.000 2.046 509 L HA -0.094 4.247 4.340 0.001 0.000 0.208 509 L C 2.394 179.238 176.870 -0.042 0.000 1.077 509 L CA 2.396 57.213 54.840 -0.039 0.000 0.747 509 L CB -1.576 40.460 42.059 -0.039 0.000 0.896 509 L HN 0.125 nan 8.230 nan 0.000 0.432 510 E N -1.135 118.964 120.200 -0.167 0.000 2.085 510 E HA -0.252 4.098 4.350 0.001 0.000 0.194 510 E C 1.986 178.535 176.600 -0.084 0.000 0.994 510 E CA 1.545 57.866 56.400 -0.132 0.000 0.801 510 E CB -0.353 29.202 29.700 -0.241 0.000 0.743 510 E HN 0.920 nan 8.360 nan 0.000 0.453 511 H N -0.936 118.029 119.070 -0.174 0.000 2.491 511 H HA -0.036 4.520 4.556 0.001 0.000 0.290 511 H C 1.323 176.526 175.328 -0.207 0.000 1.050 511 H CA 0.481 56.402 56.048 -0.212 0.000 1.309 511 H CB 0.177 29.759 29.762 -0.299 0.000 1.392 511 H HN 0.177 nan 8.280 nan 0.000 0.554 512 H N -0.217 118.836 119.070 -0.027 0.000 2.543 512 H HA 0.107 4.664 4.556 0.001 0.000 0.269 512 H C 0.304 175.344 175.328 -0.481 0.000 1.005 512 H CA 0.401 56.317 56.048 -0.220 0.000 1.146 512 H CB 0.051 29.648 29.762 -0.275 0.000 1.353 512 H HN 0.485 nan 8.280 nan 0.000 0.595 513 H N 0.000 119.128 119.070 0.097 0.000 2.539 513 H HA 0.000 4.557 4.556 0.001 0.000 0.296 513 H CA 0.000 56.081 56.048 0.056 0.000 1.023 513 H CB 0.000 29.780 29.762 0.030 0.000 1.292 513 H HN 0.000 nan 8.280 nan 0.000 0.496