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 2fsg_1_B DATA FIRST_RESID 13 DATA SEQUENCE RNDRTLRRXR KVVNIINAXE PEXEKLSDEE LKGKTAEFRA RLEKGEVLEN DATA SEQUENCE LIPEAFAVVR EASKRVFGXR HFDVQLLGGX VLNERCIAEX RTGEGKTLTA DATA SEQUENCE TLPAYLNALT GKGVHVVTVN DYLAQRDAEN NRPLFEFLGL TVGINLPGXP DATA SEQUENCE APAKREAYAA DITYGTNNEY GFDYLRDNXA FSPEERVQRK LHYALVDEVD DATA SEQUENCE SILIDEARTP LIISGPAEDS SEXYKRVNKI IPHLIRXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXVLI EELLVKEGIX DEGESLYSPA NIXLXHHVTA DATA SEQUENCE ALRAHXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXQNENQTL ASITFQNYFR LYEKLAGXTG TADTEAFEFS SIYKLDTVVV DATA SEQUENCE PTNRPXIRKD LPDLVYXTEA EKIQAIIEDI KERTAKGQPV LVGTISIEKS DATA SEQUENCE ELVSNELTKA GIKHNVLNAK FHANEAAIVA QAGYPAAVTI ATNXAGRGTD DATA SEQUENCE IVLGGSWQAE VAALENPTAE QIEKIKADWQ VRHDAVLEAG GLHIIGTERH DATA SEQUENCE ESRRIDNQLR GRSGRQGDAG SSRFYLSXED ALXRIFASDR VSGXXRKLGX DATA SEQUENCE KPGEAIEHPW VTKAIANAQR KVESRNFDIR KQLLEYDDVA NDQRRAIYSQ DATA SEQUENCE RNELLDVSDV SETINSIRED VFKATIDAYI PPQSLEEXWD IPGLQERLKN DATA SEQUENCE DFDLDLPIAE WLDKEPELHE ETLRERILAQ SIEVYQRKEE VVGAEXXRHF DATA SEQUENCE EKGVXLQTLD SLWKEHLAAX DYLRQGIHLR GYAQKDPKQE YKRESFSXFA DATA SEQUENCE AXLESLKYEV ISTLSKVQVR XP 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 13 R HA 0.000 nan 4.340 nan 0.000 0.208 13 R C 0.000 176.308 176.300 0.013 0.000 0.893 13 R CA 0.000 56.108 56.100 0.014 0.000 0.921 13 R CB 0.000 30.311 30.300 0.018 0.000 0.687 14 N N 1.951 120.660 118.700 0.015 0.000 2.091 14 N HA -0.192 4.551 4.740 0.005 0.000 0.193 14 N C 0.929 176.447 175.510 0.013 0.000 1.021 14 N CA 2.126 55.184 53.050 0.014 0.000 0.862 14 N CB -0.346 38.150 38.487 0.016 0.000 1.018 14 N HN 0.630 nan 8.380 nan 0.000 0.429 15 D N -0.225 120.183 120.400 0.013 0.000 2.104 15 D HA -0.204 4.438 4.640 0.005 0.000 0.194 15 D C 1.941 178.247 176.300 0.010 0.000 0.994 15 D CA 1.224 55.231 54.000 0.011 0.000 0.830 15 D CB -0.408 40.399 40.800 0.011 0.000 0.959 15 D HN 0.153 nan 8.370 nan 0.000 0.452 16 R N 0.457 120.963 120.500 0.009 0.000 2.100 16 R HA 0.041 4.384 4.340 0.005 0.000 0.220 16 R C 2.325 178.627 176.300 0.005 0.000 1.091 16 R CA 1.451 57.555 56.100 0.006 0.000 0.986 16 R CB -0.806 29.497 30.300 0.005 0.000 0.888 16 R HN 0.122 nan 8.270 nan 0.000 0.444 17 T N 1.174 115.732 114.554 0.005 0.000 2.635 17 T HA -0.142 4.211 4.350 0.005 0.000 0.267 17 T C 1.659 176.363 174.700 0.006 0.000 1.040 17 T CA 1.705 63.807 62.100 0.004 0.000 1.156 17 T CB -0.247 68.624 68.868 0.006 0.000 0.863 17 T HN 0.142 nan 8.240 nan 0.000 0.430 18 L N 0.177 121.406 121.223 0.010 0.000 2.046 18 L HA -0.113 4.229 4.340 0.005 0.000 0.208 18 L C 2.987 179.865 176.870 0.012 0.000 1.077 18 L CA 1.398 56.246 54.840 0.014 0.000 0.747 18 L CB -0.412 41.657 42.059 0.017 0.000 0.896 18 L HN 0.175 nan 8.230 nan 0.000 0.432 19 R N -0.430 120.076 120.500 0.009 0.000 2.083 19 R HA -0.151 4.192 4.340 0.005 0.000 0.237 19 R C 1.580 177.882 176.300 0.003 0.000 1.137 19 R CA 0.853 56.958 56.100 0.007 0.000 0.951 19 R CB -0.260 30.044 30.300 0.006 0.000 0.851 19 R HN 0.306 nan 8.270 nan 0.000 0.434 23 K N 1.083 121.485 120.400 0.005 0.000 2.063 23 K HA -0.035 4.288 4.320 0.005 0.000 0.208 23 K C 1.830 178.427 176.600 -0.006 0.000 1.048 23 K CA 1.965 58.252 56.287 -0.000 0.000 0.928 23 K CB 0.007 32.503 32.500 -0.006 0.000 0.713 23 K HN -0.085 nan 8.250 nan 0.000 0.442 24 V N 0.757 120.661 119.914 -0.017 0.000 2.453 24 V HA -0.170 3.953 4.120 0.005 0.000 0.247 24 V C 2.243 178.330 176.094 -0.013 0.000 1.048 24 V CA 1.110 63.390 62.300 -0.034 0.000 1.049 24 V CB -0.181 31.598 31.823 -0.074 0.000 0.672 24 V HN 0.069 nan 8.190 nan 0.000 0.457 25 V N 0.975 120.897 119.914 0.012 0.000 2.324 25 V HA -0.296 3.826 4.120 0.005 0.000 0.250 25 V C 2.354 178.470 176.094 0.038 0.000 1.060 25 V CA 2.322 64.648 62.300 0.042 0.000 1.042 25 V CB -0.804 31.054 31.823 0.058 0.000 0.650 25 V HN 0.580 nan 8.190 nan 0.000 0.450 26 N N -0.311 118.405 118.700 0.026 0.000 2.381 26 N HA -0.018 4.725 4.740 0.005 0.000 0.182 26 N C 1.652 177.176 175.510 0.022 0.000 1.025 26 N CA 1.155 54.220 53.050 0.026 0.000 0.888 26 N CB -0.220 38.278 38.487 0.019 0.000 0.965 26 N HN 0.478 nan 8.380 nan 0.000 0.438 27 I N 0.472 121.050 120.570 0.013 0.000 2.233 27 I HA -0.184 3.989 4.170 0.005 0.000 0.243 27 I C 1.931 178.061 176.117 0.022 0.000 1.093 27 I CA 0.804 62.110 61.300 0.011 0.000 1.380 27 I CB -0.141 37.856 38.000 -0.005 0.000 1.067 27 I HN 0.020 nan 8.210 nan 0.000 0.413 28 I N 0.948 121.534 120.570 0.027 0.000 2.179 28 I HA -0.307 3.865 4.170 0.005 0.000 0.242 28 I C 2.238 178.388 176.117 0.055 0.000 1.088 28 I CA 1.332 62.661 61.300 0.048 0.000 1.357 28 I CB -0.557 37.485 38.000 0.071 0.000 1.051 28 I HN 0.296 nan 8.210 nan 0.000 0.409 29 N N 1.252 119.984 118.700 0.054 0.000 2.104 29 N HA -0.073 4.670 4.740 0.005 0.000 0.190 29 N C 0.975 176.512 175.510 0.044 0.000 1.024 29 N CA 1.168 54.250 53.050 0.053 0.000 0.853 29 N CB -0.500 38.018 38.487 0.053 0.000 1.008 29 N HN 0.328 nan 8.380 nan 0.000 0.424 33 P HA -0.113 nan 4.420 nan 0.000 0.216 33 P C 0.366 177.683 177.300 0.028 0.000 1.150 33 P CA 1.042 64.159 63.100 0.029 0.000 0.837 33 P CB 0.039 31.754 31.700 0.026 0.000 0.786 37 K N 0.578 120.992 120.400 0.024 0.000 2.296 37 K HA 0.084 4.407 4.320 0.005 0.000 0.200 37 K C 0.169 176.779 176.600 0.017 0.000 1.048 37 K CA 0.254 56.553 56.287 0.019 0.000 0.966 37 K CB 0.232 32.742 32.500 0.016 0.000 0.754 37 K HN -0.108 nan 8.250 nan 0.000 0.466 38 L N 1.857 123.092 121.223 0.020 0.000 2.499 38 L HA -0.014 4.328 4.340 0.005 0.000 0.273 38 L C 0.614 177.496 176.870 0.019 0.000 1.195 38 L CA 0.348 55.197 54.840 0.015 0.000 0.882 38 L CB 0.510 42.581 42.059 0.019 0.000 1.133 38 L HN 0.140 nan 8.230 nan 0.000 0.483 39 S N 2.047 117.748 115.700 0.002 0.000 2.596 39 S HA 0.090 4.562 4.470 0.005 0.000 0.260 39 S C 0.875 175.467 174.600 -0.013 0.000 1.336 39 S CA -0.408 57.791 58.200 -0.003 0.000 0.993 39 S CB 0.542 63.729 63.200 -0.022 0.000 0.923 39 S HN 0.625 nan 8.310 nan 0.000 0.567 40 D N 0.833 121.217 120.400 -0.027 0.000 2.104 40 D HA -0.089 4.554 4.640 0.005 0.000 0.194 40 D C 1.877 177.995 176.300 -0.303 0.000 0.994 40 D CA 1.313 55.218 54.000 -0.159 0.000 0.830 40 D CB -0.319 40.373 40.800 -0.181 0.000 0.959 40 D HN 0.615 nan 8.370 nan 0.000 0.452 41 E N 0.715 120.799 120.200 -0.194 0.000 2.118 41 E HA -0.160 4.193 4.350 0.005 0.000 0.195 41 E C 2.022 178.543 176.600 -0.133 0.000 0.992 41 E CA 0.762 57.062 56.400 -0.167 0.000 0.804 41 E CB -0.112 29.524 29.700 -0.107 0.000 0.741 41 E HN 0.488 nan 8.360 nan 0.000 0.458 42 E N 0.153 120.295 120.200 -0.096 0.000 2.047 42 E HA -0.091 4.262 4.350 0.005 0.000 0.191 42 E C 2.353 178.908 176.600 -0.074 0.000 0.987 42 E CA 0.544 56.901 56.400 -0.071 0.000 0.799 42 E CB -0.096 29.577 29.700 -0.044 0.000 0.752 42 E HN 0.151 nan 8.360 nan 0.000 0.449 43 L N 1.181 122.369 121.223 -0.058 0.000 2.013 43 L HA -0.281 4.062 4.340 0.005 0.000 0.212 43 L C 2.649 179.482 176.870 -0.061 0.000 1.073 43 L CA 1.511 56.336 54.840 -0.025 0.000 0.753 43 L CB -0.440 41.676 42.059 0.095 0.000 0.890 43 L HN 0.088 nan 8.230 nan 0.000 0.432 44 K N 0.135 120.436 120.400 -0.164 0.000 2.103 44 K HA -0.178 4.145 4.320 0.005 0.000 0.207 44 K C 1.970 178.534 176.600 -0.061 0.000 1.048 44 K CA 1.444 57.658 56.287 -0.121 0.000 0.930 44 K CB -0.331 32.044 32.500 -0.207 0.000 0.716 44 K HN 0.381 nan 8.250 nan 0.000 0.444 45 G N 1.156 109.903 108.800 -0.089 0.000 2.470 45 G HA2 -0.208 3.755 3.960 0.005 0.000 0.220 45 G HA3 -0.208 3.755 3.960 0.005 0.000 0.220 45 G C 1.289 176.099 174.900 -0.150 0.000 1.121 45 G CA 0.343 45.386 45.100 -0.094 0.000 0.766 45 G HN 0.184 nan 8.290 nan 0.000 0.553 46 K N 0.455 120.734 120.400 -0.202 0.000 2.097 46 K HA -0.065 4.258 4.320 0.005 0.000 0.206 46 K C 2.628 178.894 176.600 -0.557 0.000 1.049 46 K CA 1.317 57.310 56.287 -0.490 0.000 0.933 46 K CB -0.849 31.382 32.500 -0.448 0.000 0.717 46 K HN 0.264 nan 8.250 nan 0.000 0.442 47 T N 1.444 115.941 114.554 -0.095 0.000 2.622 47 T HA -0.168 4.185 4.350 0.005 0.000 0.266 47 T C 1.978 176.698 174.700 0.035 0.000 1.047 47 T CA 1.859 64.031 62.100 0.119 0.000 1.159 47 T CB -0.305 68.701 68.868 0.230 0.000 0.863 47 T HN 0.357 nan 8.240 nan 0.000 0.422 48 A N 1.246 124.058 122.820 -0.013 0.000 1.933 48 A HA -0.157 4.166 4.320 0.005 0.000 0.218 48 A C 2.216 179.782 177.584 -0.030 0.000 1.175 48 A CA 2.036 54.066 52.037 -0.011 0.000 0.628 48 A CB -0.641 18.346 19.000 -0.022 0.000 0.814 48 A HN 0.703 nan 8.150 nan 0.000 0.444 49 E N -1.074 119.060 120.200 -0.110 0.000 2.072 49 E HA -0.192 4.161 4.350 0.005 0.000 0.191 49 E C 1.611 178.193 176.600 -0.030 0.000 0.985 49 E CA 1.271 57.598 56.400 -0.122 0.000 0.801 49 E CB -0.295 29.279 29.700 -0.209 0.000 0.750 49 E HN 0.503 nan 8.360 nan 0.000 0.452 50 F N 1.384 121.359 119.950 0.040 0.000 2.161 50 F HA -0.070 4.460 4.527 0.004 0.000 0.300 50 F C 2.503 178.303 175.800 0.001 0.000 1.089 50 F CA 1.158 59.175 58.000 0.028 0.000 1.282 50 F CB -0.642 38.386 39.000 0.045 0.000 1.010 50 F HN 0.006 nan 8.300 nan 0.000 0.485 51 R N -0.070 120.530 120.500 0.166 0.000 2.092 51 R HA -0.043 4.299 4.340 0.005 0.000 0.231 51 R C 2.430 178.761 176.300 0.051 0.000 1.119 51 R CA 1.080 57.227 56.100 0.079 0.000 0.970 51 R CB -0.746 29.582 30.300 0.046 0.000 0.864 51 R HN 0.256 nan 8.270 nan 0.000 0.440 52 A N 1.466 124.314 122.820 0.046 0.000 1.877 52 A HA -0.181 4.142 4.320 0.005 0.000 0.216 52 A C 2.111 179.718 177.584 0.038 0.000 1.186 52 A CA 1.254 53.309 52.037 0.030 0.000 0.620 52 A CB -0.363 18.647 19.000 0.017 0.000 0.822 52 A HN 0.205 nan 8.150 nan 0.000 0.443 53 R N -0.637 119.901 120.500 0.064 0.000 2.081 53 R HA -0.060 4.282 4.340 0.005 0.000 0.235 53 R C 2.065 178.394 176.300 0.047 0.000 1.131 53 R CA 1.518 57.657 56.100 0.066 0.000 0.960 53 R CB -0.554 29.812 30.300 0.110 0.000 0.856 53 R HN 0.511 nan 8.270 nan 0.000 0.436 54 L N 0.385 121.638 121.223 0.050 0.000 2.083 54 L HA -0.185 4.158 4.340 0.005 0.000 0.209 54 L C 2.501 179.376 176.870 0.008 0.000 1.083 54 L CA 1.101 55.953 54.840 0.019 0.000 0.752 54 L CB -0.329 41.737 42.059 0.010 0.000 0.899 54 L HN 0.131 nan 8.230 nan 0.000 0.433 55 E N 0.998 121.204 120.200 0.011 0.000 2.106 55 E HA -0.192 4.161 4.350 0.005 0.000 0.192 55 E C 1.724 178.326 176.600 0.004 0.000 0.984 55 E CA 1.372 57.774 56.400 0.004 0.000 0.806 55 E CB -0.011 29.692 29.700 0.005 0.000 0.750 55 E HN 0.271 nan 8.360 nan 0.000 0.458 56 K N -0.977 119.429 120.400 0.009 0.000 2.569 56 K HA 0.153 4.476 4.320 0.005 0.000 0.193 56 K C 0.713 177.316 176.600 0.005 0.000 1.026 56 K CA 0.492 56.784 56.287 0.008 0.000 1.093 56 K CB 0.063 32.570 32.500 0.012 0.000 0.849 56 K HN 0.293 nan 8.250 nan 0.000 0.509 57 G N 1.557 110.358 108.800 0.002 0.000 2.141 57 G HA2 -0.273 3.689 3.960 0.005 0.000 0.242 57 G HA3 -0.273 3.689 3.960 0.005 0.000 0.242 57 G C -0.106 174.792 174.900 -0.003 0.000 0.982 57 G CA -0.060 45.038 45.100 -0.002 0.000 0.662 57 G HN 0.356 nan 8.290 nan 0.000 0.527 58 E N 0.011 120.213 120.200 0.002 0.000 2.459 58 E HA 0.385 4.738 4.350 0.005 0.000 0.264 58 E C 0.629 177.218 176.600 -0.017 0.000 1.055 58 E CA 0.080 56.478 56.400 -0.002 0.000 0.957 58 E CB 0.752 30.459 29.700 0.012 0.000 0.952 58 E HN 0.446 nan 8.360 nan 0.000 0.448 59 V N 6.027 125.925 119.914 -0.028 0.000 2.394 59 V HA 0.082 4.205 4.120 0.005 0.000 0.282 59 V C 1.230 177.287 176.094 -0.061 0.000 1.031 59 V CA -0.435 61.841 62.300 -0.040 0.000 0.881 59 V CB 1.304 33.104 31.823 -0.038 0.000 0.982 59 V HN 0.766 nan 8.190 nan 0.000 0.451 60 L N 4.409 125.589 121.223 -0.071 0.000 2.079 60 L HA -0.112 4.231 4.340 0.005 0.000 0.210 60 L C 2.152 178.944 176.870 -0.131 0.000 1.081 60 L CA 1.983 56.763 54.840 -0.101 0.000 0.752 60 L CB -0.300 41.701 42.059 -0.096 0.000 0.896 60 L HN 0.753 nan 8.230 nan 0.000 0.433 61 E N -0.101 120.029 120.200 -0.116 0.000 2.204 61 E HA -0.171 4.182 4.350 0.005 0.000 0.195 61 E C 1.840 178.353 176.600 -0.145 0.000 0.990 61 E CA 1.023 57.341 56.400 -0.137 0.000 0.821 61 E CB -0.406 29.229 29.700 -0.109 0.000 0.750 61 E HN 0.500 nan 8.360 nan 0.000 0.477 62 N N -0.045 118.588 118.700 -0.112 0.000 2.520 62 N HA -0.079 4.663 4.740 0.005 0.000 0.185 62 N C 1.095 176.525 175.510 -0.133 0.000 1.068 62 N CA 0.601 53.591 53.050 -0.101 0.000 0.911 62 N CB 0.047 38.497 38.487 -0.061 0.000 0.961 62 N HN 0.255 nan 8.380 nan 0.000 0.446 63 L N -0.134 120.975 121.223 -0.190 0.000 2.558 63 L HA 0.159 4.502 4.340 0.005 0.000 0.225 63 L C 1.768 178.437 176.870 -0.334 0.000 1.128 63 L CA 0.052 54.713 54.840 -0.299 0.000 0.868 63 L CB -0.048 41.763 42.059 -0.414 0.000 1.006 63 L HN 0.074 nan 8.230 nan 0.000 0.454 64 I N 0.859 121.236 120.570 -0.321 0.000 2.179 64 I HA -0.191 3.982 4.170 0.005 0.000 0.242 64 I C -0.261 175.596 176.117 -0.432 0.000 1.088 64 I CA 1.529 62.524 61.300 -0.509 0.000 1.357 64 I CB -1.049 36.564 38.000 -0.646 0.000 1.051 64 I HN 0.220 nan 8.210 nan 0.000 0.409 65 P HA -0.154 nan 4.420 nan 0.000 0.216 65 P C 1.238 178.535 177.300 -0.005 0.000 1.153 65 P CA 1.485 64.508 63.100 -0.129 0.000 0.848 65 P CB -0.039 31.613 31.700 -0.081 0.000 0.787 66 E N -0.376 119.829 120.200 0.008 0.000 2.107 66 E HA -0.077 4.276 4.350 0.005 0.000 0.191 66 E C 2.126 178.863 176.600 0.228 0.000 0.982 66 E CA 1.054 57.549 56.400 0.158 0.000 0.809 66 E CB -0.529 29.348 29.700 0.295 0.000 0.756 66 E HN 0.134 nan 8.360 nan 0.000 0.459 67 A N 0.904 123.718 122.820 -0.010 0.000 1.930 67 A HA -0.148 4.174 4.320 0.005 0.000 0.217 67 A C 1.813 179.585 177.584 0.313 0.000 1.175 67 A CA 1.004 53.127 52.037 0.144 0.000 0.627 67 A CB -0.535 18.462 19.000 -0.006 0.000 0.815 67 A HN 0.133 nan 8.150 nan 0.000 0.443 68 F N 0.217 120.148 119.950 -0.032 0.000 2.186 68 F HA -0.029 4.500 4.527 0.004 0.000 0.299 68 F C 2.801 178.540 175.800 -0.102 0.000 1.090 68 F CA 0.268 58.217 58.000 -0.085 0.000 1.307 68 F CB -1.056 37.895 39.000 -0.080 0.000 1.019 68 F HN 0.271 nan 8.300 nan 0.000 0.489 69 A N -0.323 122.592 122.820 0.158 0.000 1.933 69 A HA -0.118 4.205 4.320 0.005 0.000 0.218 69 A C 2.470 180.090 177.584 0.059 0.000 1.175 69 A CA 1.845 53.937 52.037 0.091 0.000 0.628 69 A CB -1.164 17.899 19.000 0.105 0.000 0.814 69 A HN 0.177 nan 8.150 nan 0.000 0.444 70 V N -0.670 119.303 119.914 0.099 0.000 2.307 70 V HA -0.195 3.928 4.120 0.005 0.000 0.245 70 V C 2.581 178.629 176.094 -0.077 0.000 1.045 70 V CA 1.920 64.257 62.300 0.063 0.000 1.024 70 V CB -0.516 31.419 31.823 0.187 0.000 0.651 70 V HN 0.370 nan 8.190 nan 0.000 0.449 71 V N -0.002 119.799 119.914 -0.189 0.000 2.358 71 V HA -0.250 3.873 4.120 0.005 0.000 0.246 71 V C 2.566 178.538 176.094 -0.204 0.000 1.047 71 V CA 2.324 64.448 62.300 -0.293 0.000 1.035 71 V CB -0.785 30.808 31.823 -0.383 0.000 0.658 71 V HN 0.500 nan 8.190 nan 0.000 0.452 72 R N 0.052 120.410 120.500 -0.236 0.000 2.103 72 R HA -0.272 4.071 4.340 0.005 0.000 0.242 72 R C 2.307 178.604 176.300 -0.006 0.000 1.142 72 R CA 2.315 58.378 56.100 -0.062 0.000 0.960 72 R CB -0.183 30.079 30.300 -0.062 0.000 0.858 72 R HN 0.553 nan 8.270 nan 0.000 0.439 73 E N 0.264 120.442 120.200 -0.038 0.000 2.046 73 E HA -0.077 4.276 4.350 0.005 0.000 0.190 73 E C 1.748 178.271 176.600 -0.128 0.000 0.982 73 E CA 1.610 57.985 56.400 -0.041 0.000 0.800 73 E CB -0.305 29.397 29.700 0.002 0.000 0.756 73 E HN 0.403 nan 8.360 nan 0.000 0.449 74 A N 0.190 122.912 122.820 -0.164 0.000 1.903 74 A HA -0.285 4.038 4.320 0.005 0.000 0.219 74 A C 2.491 179.732 177.584 -0.571 0.000 1.191 74 A CA 2.556 54.347 52.037 -0.410 0.000 0.638 74 A CB -1.278 17.563 19.000 -0.264 0.000 0.823 74 A HN 0.364 nan 8.150 nan 0.000 0.451 75 S N -0.927 114.550 115.700 -0.372 0.000 2.387 75 S HA -0.147 4.325 4.470 0.005 0.000 0.226 75 S C 1.991 176.429 174.600 -0.270 0.000 1.026 75 S CA 1.630 59.589 58.200 -0.403 0.000 0.972 75 S CB -0.312 62.809 63.200 -0.131 0.000 0.814 75 S HN 0.582 nan 8.310 nan 0.000 0.477 76 K N 0.473 120.767 120.400 -0.176 0.000 2.044 76 K HA -0.109 4.214 4.320 0.005 0.000 0.210 76 K C 2.517 179.019 176.600 -0.163 0.000 1.049 76 K CA 1.786 57.997 56.287 -0.127 0.000 0.927 76 K CB -0.139 32.315 32.500 -0.077 0.000 0.713 76 K HN 0.360 nan 8.250 nan 0.000 0.443 77 R N -0.172 120.174 120.500 -0.257 0.000 2.075 77 R HA -0.016 4.327 4.340 0.005 0.000 0.226 77 R C 2.314 178.404 176.300 -0.349 0.000 1.114 77 R CA 1.000 56.934 56.100 -0.277 0.000 0.972 77 R CB -0.141 29.959 30.300 -0.333 0.000 0.869 77 R HN -0.003 nan 8.270 nan 0.000 0.437 78 V N 0.132 119.708 119.914 -0.563 0.000 2.379 78 V HA -0.103 4.020 4.120 0.005 0.000 0.243 78 V C 1.533 177.492 176.094 -0.224 0.000 1.035 78 V CA 1.477 63.472 62.300 -0.508 0.000 1.035 78 V CB -0.263 31.073 31.823 -0.811 0.000 0.673 78 V HN 0.136 nan 8.190 nan 0.000 0.457 79 F N 0.539 120.351 119.950 -0.229 0.000 2.746 79 F HA 0.566 5.096 4.527 0.005 0.000 0.297 79 F C 1.505 177.208 175.800 -0.162 0.000 1.113 79 F CA 0.062 57.947 58.000 -0.191 0.000 1.367 79 F CB -0.856 38.012 39.000 -0.220 0.000 1.111 79 F HN 0.273 nan 8.300 nan 0.000 0.590 83 H N 3.770 122.702 119.070 -0.230 0.000 3.173 83 H HA -0.020 4.538 4.556 0.005 0.000 0.311 83 H C 0.066 175.320 175.328 -0.122 0.000 0.972 83 H CA 1.215 57.123 56.048 -0.233 0.000 1.384 83 H CB 0.048 29.739 29.762 -0.119 0.000 1.349 83 H HN 0.179 nan 8.280 nan 0.000 0.582 84 F N 1.464 121.485 119.950 0.118 0.000 2.406 84 F HA 0.021 4.551 4.527 0.005 0.000 0.327 84 F C 1.690 177.546 175.800 0.094 0.000 1.153 84 F CA -0.637 57.412 58.000 0.082 0.000 1.218 84 F CB 0.448 39.480 39.000 0.053 0.000 1.215 84 F HN 0.547 nan 8.300 nan 0.000 0.570 85 D N 0.607 121.169 120.400 0.271 0.000 2.104 85 D HA -0.160 4.482 4.640 0.005 0.000 0.194 85 D C 2.411 178.808 176.300 0.161 0.000 0.994 85 D CA 1.840 55.946 54.000 0.175 0.000 0.830 85 D CB -0.523 40.351 40.800 0.122 0.000 0.959 85 D HN 0.351 nan 8.370 nan 0.000 0.452 86 V N -0.651 119.356 119.914 0.155 0.000 2.453 86 V HA -0.301 3.822 4.120 0.005 0.000 0.252 86 V C 1.879 178.062 176.094 0.148 0.000 1.068 86 V CA 1.682 64.059 62.300 0.128 0.000 1.070 86 V CB -0.829 31.051 31.823 0.095 0.000 0.664 86 V HN 0.175 nan 8.190 nan 0.000 0.461 87 Q N 0.085 120.000 119.800 0.192 0.000 2.123 87 Q HA 0.044 4.387 4.340 0.005 0.000 0.199 87 Q C 2.365 178.450 176.000 0.141 0.000 0.966 87 Q CA 1.740 57.644 55.803 0.167 0.000 0.845 87 Q CB -0.250 28.600 28.738 0.186 0.000 0.907 87 Q HN 0.640 nan 8.270 nan 0.000 0.439 88 L N 0.478 121.798 121.223 0.162 0.000 2.042 88 L HA -0.224 4.119 4.340 0.005 0.000 0.210 88 L C 2.337 179.358 176.870 0.252 0.000 1.076 88 L CA 1.072 56.042 54.840 0.218 0.000 0.749 88 L CB -0.566 41.630 42.059 0.229 0.000 0.893 88 L HN 0.241 nan 8.230 nan 0.000 0.432 89 L N -0.368 120.957 121.223 0.169 0.000 2.017 89 L HA -0.144 4.199 4.340 0.005 0.000 0.208 89 L C 2.754 179.704 176.870 0.132 0.000 1.073 89 L CA 1.488 56.408 54.840 0.134 0.000 0.745 89 L CB -1.329 40.785 42.059 0.091 0.000 0.894 89 L HN 0.319 nan 8.230 nan 0.000 0.432 90 G N -0.150 108.720 108.800 0.116 0.000 2.446 90 G HA2 -0.131 3.832 3.960 0.005 0.000 0.217 90 G HA3 -0.131 3.832 3.960 0.005 0.000 0.217 90 G C 1.011 175.981 174.900 0.116 0.000 1.168 90 G CA 0.628 45.783 45.100 0.091 0.000 0.771 90 G HN 0.467 nan 8.290 nan 0.000 0.551 94 L N 1.337 122.608 121.223 0.079 0.000 2.552 94 L HA 0.057 4.400 4.340 0.005 0.000 0.227 94 L C 1.951 178.901 176.870 0.133 0.000 1.146 94 L CA 1.317 56.216 54.840 0.098 0.000 0.858 94 L CB -0.423 41.705 42.059 0.114 0.000 0.969 94 L HN 0.436 nan 8.230 nan 0.000 0.451 95 N N -0.286 118.458 118.700 0.074 0.000 2.396 95 N HA -0.096 4.647 4.740 0.005 0.000 0.180 95 N C 0.768 176.254 175.510 -0.041 0.000 1.028 95 N CA 0.717 53.746 53.050 -0.035 0.000 0.893 95 N CB 0.315 38.777 38.487 -0.040 0.000 0.967 95 N HN 0.214 nan 8.380 nan 0.000 0.440 96 E N -0.110 120.091 120.200 0.002 0.000 2.330 96 E HA 0.116 4.469 4.350 0.005 0.000 0.256 96 E C -0.295 176.317 176.600 0.020 0.000 1.146 96 E CA -0.554 55.846 56.400 0.000 0.000 0.945 96 E CB 0.542 30.240 29.700 -0.003 0.000 1.182 96 E HN 0.060 nan 8.360 nan 0.000 0.480 97 R N 0.564 121.073 120.500 0.016 0.000 3.266 97 R HA 0.226 4.569 4.340 0.005 0.000 0.224 97 R C -1.114 175.184 176.300 -0.003 0.000 1.525 97 R CA 0.070 56.181 56.100 0.019 0.000 1.364 97 R CB -0.616 29.704 30.300 0.034 0.000 1.276 97 R HN 0.279 nan 8.270 nan 0.000 0.660 98 C N 2.945 122.225 119.300 -0.033 0.000 3.173 98 C HA 0.478 4.941 4.460 0.005 0.000 0.310 98 C C -1.143 173.763 174.990 -0.140 0.000 1.306 98 C CA -0.976 58.001 59.018 -0.068 0.000 1.426 98 C CB 1.808 29.526 27.740 -0.036 0.000 1.800 98 C HN 0.521 nan 8.230 nan 0.000 0.470 99 I N 3.042 123.490 120.570 -0.203 0.000 2.312 99 I HA 0.411 4.584 4.170 0.005 0.000 0.290 99 I C 0.733 176.750 176.117 -0.166 0.000 1.008 99 I CA -0.433 60.697 61.300 -0.284 0.000 1.226 99 I CB 0.670 38.374 38.000 -0.493 0.000 1.371 99 I HN 0.766 nan 8.210 nan 0.000 0.468 100 A N 7.307 130.053 122.820 -0.123 0.000 2.347 100 A HA 0.405 4.728 4.320 0.005 0.000 0.287 100 A C 0.535 178.074 177.584 -0.075 0.000 1.199 100 A CA -0.428 51.570 52.037 -0.066 0.000 0.851 100 A CB 0.129 19.113 19.000 -0.026 0.000 1.118 100 A HN 0.736 nan 8.150 nan 0.000 0.525 104 T N 1.277 115.846 114.554 0.024 0.000 2.849 104 T HA 0.211 4.563 4.350 0.005 0.000 0.289 104 T C 1.231 175.950 174.700 0.032 0.000 1.010 104 T CA 2.406 64.521 62.100 0.024 0.000 1.161 104 T CB 0.242 69.125 68.868 0.024 0.000 0.989 104 T HN 0.773 nan 8.240 nan 0.000 0.523 105 G N 3.516 112.337 108.800 0.034 0.000 2.176 105 G HA2 -0.197 3.766 3.960 0.005 0.000 0.232 105 G HA3 -0.197 3.766 3.960 0.005 0.000 0.232 105 G C 0.741 175.679 174.900 0.064 0.000 0.986 105 G CA 0.056 45.184 45.100 0.046 0.000 0.643 105 G HN 0.652 nan 8.290 nan 0.000 0.522 106 E N 0.411 120.649 120.200 0.063 0.000 2.478 106 E HA 0.315 4.668 4.350 0.005 0.000 0.194 106 E C 1.614 178.283 176.600 0.116 0.000 1.045 106 E CA 0.940 57.395 56.400 0.092 0.000 0.868 106 E CB -0.011 29.731 29.700 0.070 0.000 0.885 106 E HN 1.657 nan 8.360 nan 0.000 0.505 107 G N 2.527 111.369 108.800 0.070 0.000 2.452 107 G HA2 -0.301 3.662 3.960 0.005 0.000 0.275 107 G HA3 -0.301 3.662 3.960 0.005 0.000 0.275 107 G C 0.693 175.603 174.900 0.016 0.000 1.131 107 G CA 0.471 45.590 45.100 0.032 0.000 1.031 107 G HN 0.208 nan 8.290 nan 0.000 0.511 108 K N -0.757 119.651 120.400 0.013 0.000 2.057 108 K HA -0.093 4.230 4.320 0.005 0.000 0.207 108 K C 2.667 179.272 176.600 0.007 0.000 1.049 108 K CA 1.948 58.241 56.287 0.010 0.000 0.931 108 K CB -0.133 32.368 32.500 0.001 0.000 0.714 108 K HN 0.433 nan 8.250 nan 0.000 0.440 109 T N 1.680 116.227 114.554 -0.010 0.000 2.777 109 T HA -0.104 4.248 4.350 0.005 0.000 0.266 109 T C 1.705 176.398 174.700 -0.012 0.000 1.040 109 T CA 0.791 62.886 62.100 -0.009 0.000 1.141 109 T CB -0.160 68.680 68.868 -0.047 0.000 0.868 109 T HN 0.040 nan 8.240 nan 0.000 0.444 110 L N 1.220 122.402 121.223 -0.068 0.000 2.083 110 L HA -0.082 4.261 4.340 0.005 0.000 0.209 110 L C 2.546 179.428 176.870 0.020 0.000 1.083 110 L CA 1.761 56.544 54.840 -0.094 0.000 0.752 110 L CB -1.228 40.675 42.059 -0.261 0.000 0.899 110 L HN 0.211 nan 8.230 nan 0.000 0.433 111 T N -0.221 114.354 114.554 0.036 0.000 2.635 111 T HA -0.254 4.099 4.350 0.005 0.000 0.267 111 T C 1.861 176.607 174.700 0.076 0.000 1.040 111 T CA 1.551 63.700 62.100 0.082 0.000 1.156 111 T CB -0.618 68.286 68.868 0.061 0.000 0.863 111 T HN 0.519 nan 8.240 nan 0.000 0.430 112 A N 1.644 124.513 122.820 0.082 0.000 2.139 112 A HA -0.153 4.169 4.320 0.005 0.000 0.221 112 A C 2.503 180.207 177.584 0.199 0.000 1.159 112 A CA 2.144 54.250 52.037 0.115 0.000 0.662 112 A CB -1.226 17.839 19.000 0.110 0.000 0.796 112 A HN 0.697 nan 8.150 nan 0.000 0.463 113 T N -1.871 112.821 114.554 0.230 0.000 2.929 113 T HA -0.041 4.312 4.350 0.005 0.000 0.271 113 T C 1.693 176.573 174.700 0.299 0.000 1.085 113 T CA 1.290 63.612 62.100 0.370 0.000 1.125 113 T CB -0.465 68.523 68.868 0.200 0.000 0.874 113 T HN 0.354 nan 8.240 nan 0.000 0.494 114 L N 1.430 122.663 121.223 0.018 0.000 1.993 114 L HA 0.073 4.416 4.340 0.005 0.000 0.206 114 L C 0.015 176.842 176.870 -0.073 0.000 1.074 114 L CA 1.021 55.660 54.840 -0.336 0.000 0.746 114 L CB -1.414 40.050 42.059 -0.991 0.000 0.896 114 L HN 0.165 nan 8.230 nan 0.000 0.435 115 P HA -0.158 nan 4.420 nan 0.000 0.220 115 P C 1.255 178.652 177.300 0.161 0.000 1.148 115 P CA 1.821 65.013 63.100 0.153 0.000 0.803 115 P CB 0.051 31.876 31.700 0.209 0.000 0.782 116 A N -0.626 122.325 122.820 0.218 0.000 1.898 116 A HA -0.206 4.117 4.320 0.005 0.000 0.216 116 A C 2.376 179.986 177.584 0.044 0.000 1.181 116 A CA 1.320 53.450 52.037 0.155 0.000 0.620 116 A CB -1.851 17.243 19.000 0.156 0.000 0.819 116 A HN 0.139 nan 8.150 nan 0.000 0.442 117 Y N -0.098 120.230 120.300 0.047 0.000 2.114 117 Y HA -0.154 4.399 4.550 0.005 0.000 0.284 117 Y C 2.057 177.981 175.900 0.040 0.000 1.143 117 Y CA 1.935 60.062 58.100 0.045 0.000 1.135 117 Y CB -0.444 38.155 38.460 0.233 0.000 0.980 117 Y HN 0.227 nan 8.280 nan 0.000 0.499 118 L N 1.081 122.371 121.223 0.113 0.000 2.042 118 L HA -0.257 4.086 4.340 0.005 0.000 0.210 118 L C 1.656 178.430 176.870 -0.159 0.000 1.076 118 L CA 2.073 56.897 54.840 -0.026 0.000 0.749 118 L CB -0.743 41.408 42.059 0.153 0.000 0.893 118 L HN 0.302 nan 8.230 nan 0.000 0.432 119 N N -0.844 117.759 118.700 -0.161 0.000 2.398 119 N HA 0.080 4.823 4.740 0.005 0.000 0.188 119 N C 1.324 176.822 175.510 -0.021 0.000 1.122 119 N CA 0.735 53.671 53.050 -0.189 0.000 0.866 119 N CB 0.343 38.484 38.487 -0.575 0.000 0.970 119 N HN 0.459 nan 8.380 nan 0.000 0.462 120 A N 0.241 122.996 122.820 -0.107 0.000 2.147 120 A HA 0.149 4.472 4.320 0.005 0.000 0.211 120 A C 2.133 179.627 177.584 -0.150 0.000 1.160 120 A CA 0.000 51.967 52.037 -0.117 0.000 0.781 120 A CB -0.086 18.798 19.000 -0.195 0.000 0.842 120 A HN 0.134 nan 8.150 nan 0.000 0.475 121 L N 0.240 121.342 121.223 -0.201 0.000 2.083 121 L HA -0.141 4.202 4.340 0.005 0.000 0.209 121 L C 2.654 179.469 176.870 -0.091 0.000 1.083 121 L CA 1.756 56.501 54.840 -0.159 0.000 0.752 121 L CB -0.838 41.125 42.059 -0.160 0.000 0.899 121 L HN 0.576 nan 8.230 nan 0.000 0.433 122 T N -2.995 111.499 114.554 -0.100 0.000 3.160 122 T HA 0.142 4.495 4.350 0.005 0.000 0.257 122 T C 1.406 176.033 174.700 -0.122 0.000 1.147 122 T CA 0.370 62.404 62.100 -0.109 0.000 1.064 122 T CB -0.128 68.655 68.868 -0.142 0.000 0.949 122 T HN 0.500 nan 8.240 nan 0.000 0.526 123 G N 1.772 110.511 108.800 -0.101 0.000 2.221 123 G HA2 -0.242 3.721 3.960 0.005 0.000 0.265 123 G HA3 -0.242 3.721 3.960 0.005 0.000 0.265 123 G C 0.692 175.534 174.900 -0.098 0.000 1.041 123 G CA 0.286 45.342 45.100 -0.074 0.000 0.807 123 G HN 0.490 nan 8.290 nan 0.000 0.502 124 K N -0.064 120.225 120.400 -0.185 0.000 2.374 124 K HA 0.441 4.764 4.320 0.005 0.000 0.202 124 K C 1.272 177.838 176.600 -0.057 0.000 1.040 124 K CA 0.647 56.781 56.287 -0.255 0.000 1.085 124 K CB 0.670 32.737 32.500 -0.722 0.000 0.873 124 K HN 1.761 nan 8.250 nan 0.000 0.539 125 G N 0.743 109.572 108.800 0.049 0.000 2.692 125 G HA2 -0.165 3.798 3.960 0.005 0.000 0.686 125 G HA3 -0.165 3.798 3.960 0.005 0.000 0.686 125 G C -1.029 174.008 174.900 0.228 0.000 1.243 125 G CA -0.780 44.409 45.100 0.149 0.000 0.782 125 G HN -0.064 nan 8.290 nan 0.000 0.625 126 V N 2.101 122.104 119.914 0.149 0.000 2.638 126 V HA 0.521 4.644 4.120 0.005 0.000 0.306 126 V C -0.092 176.073 176.094 0.117 0.000 1.052 126 V CA -0.873 61.490 62.300 0.106 0.000 0.885 126 V CB 2.075 33.953 31.823 0.092 0.000 0.999 126 V HN 0.851 nan 8.190 nan 0.000 0.424 127 H N 2.871 121.874 119.070 -0.112 0.000 2.685 127 H HA 0.469 5.028 4.556 0.004 0.000 0.286 127 H C -0.493 174.626 175.328 -0.349 0.000 1.102 127 H CA -0.788 55.103 56.048 -0.261 0.000 1.254 127 H CB 1.513 30.945 29.762 -0.550 0.000 1.397 127 H HN 0.432 nan 8.280 nan 0.000 0.473 128 V N 5.079 124.894 119.914 -0.164 0.000 2.488 128 V HA 0.046 4.168 4.120 0.005 0.000 0.277 128 V C 0.232 176.372 176.094 0.076 0.000 1.046 128 V CA -0.472 61.702 62.300 -0.210 0.000 0.986 128 V CB 1.237 32.751 31.823 -0.515 0.000 0.989 128 V HN 0.459 nan 8.190 nan 0.000 0.475 129 V N 5.050 124.992 119.914 0.047 0.000 2.334 129 V HA 0.440 4.563 4.120 0.005 0.000 0.281 129 V C 0.442 176.580 176.094 0.073 0.000 1.016 129 V CA -0.407 61.999 62.300 0.176 0.000 0.832 129 V CB 1.521 33.388 31.823 0.073 0.000 0.999 129 V HN 1.029 nan 8.190 nan 0.000 0.439 130 T N 0.973 115.595 114.554 0.113 0.000 2.944 130 T HA 0.464 4.817 4.350 0.005 0.000 0.284 130 T C 1.160 175.885 174.700 0.042 0.000 1.010 130 T CA -0.051 62.090 62.100 0.067 0.000 1.025 130 T CB 1.834 70.754 68.868 0.087 0.000 1.079 130 T HN 0.520 nan 8.240 nan 0.000 0.516 131 V N -0.885 119.042 119.914 0.023 0.000 3.041 131 V HA 0.191 4.314 4.120 0.005 0.000 0.260 131 V C 0.366 176.483 176.094 0.038 0.000 1.105 131 V CA 0.873 63.181 62.300 0.014 0.000 1.125 131 V CB -1.956 29.867 31.823 0.001 0.000 0.730 131 V HN 1.071 nan 8.190 nan 0.000 0.479 132 N N -2.312 116.422 118.700 0.056 0.000 2.825 132 N HA 0.286 5.029 4.740 0.005 0.000 0.253 132 N C -0.247 175.305 175.510 0.070 0.000 1.426 132 N CA -0.250 52.843 53.050 0.071 0.000 0.851 132 N CB 0.585 39.123 38.487 0.085 0.000 1.470 132 N HN -0.158 nan 8.380 nan 0.000 0.517 133 D N -0.757 119.687 120.400 0.073 0.000 2.178 133 D HA -0.134 4.509 4.640 0.005 0.000 0.202 133 D C 1.157 177.486 176.300 0.049 0.000 0.974 133 D CA 1.257 55.286 54.000 0.048 0.000 0.841 133 D CB -0.286 40.544 40.800 0.050 0.000 0.953 133 D HN 0.600 nan 8.370 nan 0.000 0.478 134 Y N 1.519 121.814 120.300 -0.008 0.000 2.128 134 Y HA -0.181 4.372 4.550 0.005 0.000 0.284 134 Y C 2.079 177.965 175.900 -0.024 0.000 1.154 134 Y CA 1.403 59.492 58.100 -0.018 0.000 1.149 134 Y CB -0.407 38.041 38.460 -0.020 0.000 0.976 134 Y HN -0.105 nan 8.280 nan 0.000 0.505 135 L N -0.226 120.916 121.223 -0.135 0.000 2.156 135 L HA -0.085 4.257 4.340 0.005 0.000 0.208 135 L C 2.810 179.577 176.870 -0.172 0.000 1.095 135 L CA 0.861 55.577 54.840 -0.207 0.000 0.770 135 L CB -0.937 41.122 42.059 -0.000 0.000 0.914 135 L HN 0.327 nan 8.230 nan 0.000 0.439 136 A N -0.211 122.565 122.820 -0.073 0.000 1.865 136 A HA -0.281 4.042 4.320 0.005 0.000 0.217 136 A C 2.265 179.766 177.584 -0.138 0.000 1.191 136 A CA 1.816 53.840 52.037 -0.021 0.000 0.623 136 A CB -0.543 18.464 19.000 0.011 0.000 0.826 136 A HN 0.455 nan 8.150 nan 0.000 0.444 137 Q N -1.279 118.416 119.800 -0.175 0.000 2.050 137 Q HA -0.182 4.160 4.340 0.005 0.000 0.202 137 Q C 2.470 178.305 176.000 -0.275 0.000 0.980 137 Q CA 1.447 57.135 55.803 -0.191 0.000 0.840 137 Q CB -0.242 28.402 28.738 -0.157 0.000 0.898 137 Q HN 0.656 nan 8.270 nan 0.000 0.424 138 R N 0.682 120.934 120.500 -0.414 0.000 2.096 138 R HA -0.201 4.142 4.340 0.005 0.000 0.240 138 R C 1.422 177.520 176.300 -0.337 0.000 1.139 138 R CA 2.035 57.879 56.100 -0.426 0.000 0.952 138 R CB -0.061 29.841 30.300 -0.663 0.000 0.854 138 R HN 0.269 nan 8.270 nan 0.000 0.436 139 D N 0.009 120.196 120.400 -0.355 0.000 2.097 139 D HA -0.090 4.553 4.640 0.005 0.000 0.197 139 D C 1.805 177.721 176.300 -0.640 0.000 0.984 139 D CA 1.432 55.192 54.000 -0.399 0.000 0.826 139 D CB -0.460 40.165 40.800 -0.292 0.000 0.973 139 D HN 0.354 nan 8.370 nan 0.000 0.460 140 A N 1.383 123.706 122.820 -0.829 0.000 1.892 140 A HA -0.234 4.089 4.320 0.005 0.000 0.218 140 A C 2.085 179.514 177.584 -0.258 0.000 1.188 140 A CA 1.663 53.294 52.037 -0.676 0.000 0.631 140 A CB -0.404 18.405 19.000 -0.318 0.000 0.822 140 A HN 0.034 nan 8.150 nan 0.000 0.447 141 E N 0.144 120.222 120.200 -0.203 0.000 2.107 141 E HA -0.095 4.258 4.350 0.005 0.000 0.191 141 E C 1.843 178.389 176.600 -0.090 0.000 0.982 141 E CA 0.893 57.227 56.400 -0.110 0.000 0.809 141 E CB -0.456 29.182 29.700 -0.103 0.000 0.756 141 E HN 0.603 nan 8.360 nan 0.000 0.459 142 N N 1.217 119.829 118.700 -0.145 0.000 2.142 142 N HA -0.096 4.647 4.740 0.005 0.000 0.186 142 N C 1.229 176.739 175.510 0.001 0.000 1.023 142 N CA 0.806 53.782 53.050 -0.124 0.000 0.852 142 N CB -0.284 38.054 38.487 -0.248 0.000 0.998 142 N HN 0.135 nan 8.380 nan 0.000 0.424 143 N N 0.544 119.225 118.700 -0.031 0.000 2.422 143 N HA 0.004 4.747 4.740 0.005 0.000 0.181 143 N C 1.558 177.112 175.510 0.073 0.000 1.080 143 N CA 0.042 53.119 53.050 0.046 0.000 0.893 143 N CB 0.062 38.582 38.487 0.055 0.000 0.973 143 N HN 0.310 nan 8.380 nan 0.000 0.456 144 R N 1.350 121.910 120.500 0.099 0.000 2.080 144 R HA -0.083 4.260 4.340 0.005 0.000 0.236 144 R C -0.849 175.526 176.300 0.124 0.000 1.137 144 R CA 1.593 57.784 56.100 0.151 0.000 0.943 144 R CB -0.834 29.524 30.300 0.096 0.000 0.846 144 R HN 0.160 nan 8.270 nan 0.000 0.431 145 P HA -0.158 nan 4.420 nan 0.000 0.217 145 P C 1.410 178.685 177.300 -0.041 0.000 1.150 145 P CA 0.881 64.009 63.100 0.047 0.000 0.832 145 P CB -0.138 31.586 31.700 0.040 0.000 0.787 146 L N -0.737 120.352 121.223 -0.223 0.000 1.956 146 L HA -0.160 4.183 4.340 0.005 0.000 0.216 146 L C 2.395 179.193 176.870 -0.120 0.000 1.073 146 L CA 2.156 56.728 54.840 -0.446 0.000 0.762 146 L CB -1.526 40.070 42.059 -0.770 0.000 0.889 146 L HN -0.206 nan 8.230 nan 0.000 0.433 147 F N -0.057 119.949 119.950 0.093 0.000 2.259 147 F HA -0.084 4.446 4.527 0.005 0.000 0.298 147 F C 2.504 178.408 175.800 0.173 0.000 1.088 147 F CA 1.154 59.257 58.000 0.171 0.000 1.358 147 F CB -0.798 38.331 39.000 0.214 0.000 1.040 147 F HN 0.212 nan 8.300 nan 0.000 0.505 148 E N -0.465 119.912 120.200 0.294 0.000 2.110 148 E HA -0.246 4.107 4.350 0.005 0.000 0.193 148 E C 2.053 178.768 176.600 0.192 0.000 0.988 148 E CA 1.128 57.653 56.400 0.208 0.000 0.804 148 E CB -0.430 29.361 29.700 0.152 0.000 0.745 148 E HN 0.368 nan 8.360 nan 0.000 0.458 149 F N 0.758 120.729 119.950 0.035 0.000 2.192 149 F HA -0.178 4.352 4.527 0.005 0.000 0.301 149 F C 1.505 177.322 175.800 0.028 0.000 1.079 149 F CA 1.201 59.198 58.000 -0.004 0.000 1.303 149 F CB 0.195 39.149 39.000 -0.077 0.000 1.024 149 F HN -0.048 nan 8.300 nan 0.000 0.494 150 L N -0.402 120.999 121.223 0.296 0.000 2.685 150 L HA 0.282 4.624 4.340 0.005 0.000 0.233 150 L C 1.399 178.415 176.870 0.244 0.000 1.173 150 L CA 0.392 55.392 54.840 0.267 0.000 0.961 150 L CB -0.587 41.673 42.059 0.335 0.000 1.217 150 L HN 0.301 nan 8.230 nan 0.000 0.478 151 G N 0.943 109.840 108.800 0.161 0.000 2.225 151 G HA2 -0.278 3.685 3.960 0.005 0.000 0.267 151 G HA3 -0.278 3.685 3.960 0.005 0.000 0.267 151 G C 0.012 175.002 174.900 0.150 0.000 1.024 151 G CA 0.251 45.425 45.100 0.123 0.000 0.784 151 G HN 0.300 nan 8.290 nan 0.000 0.507 152 L N 0.160 121.507 121.223 0.207 0.000 2.330 152 L HA 0.760 5.103 4.340 0.005 0.000 0.271 152 L C 1.012 177.985 176.870 0.170 0.000 1.013 152 L CA -0.605 54.337 54.840 0.169 0.000 0.816 152 L CB 1.978 44.135 42.059 0.162 0.000 1.287 152 L HN 0.301 nan 8.230 nan 0.000 0.435 153 T N -1.188 113.440 114.554 0.125 0.000 2.944 153 T HA 0.702 5.055 4.350 0.005 0.000 0.284 153 T C -0.359 174.433 174.700 0.152 0.000 1.010 153 T CA -0.733 61.448 62.100 0.135 0.000 1.025 153 T CB 2.018 70.949 68.868 0.105 0.000 1.079 153 T HN 0.226 nan 8.240 nan 0.000 0.516 154 V N 0.727 120.750 119.914 0.181 0.000 2.540 154 V HA 0.772 4.895 4.120 0.005 0.000 0.302 154 V C 0.630 176.830 176.094 0.178 0.000 1.035 154 V CA -0.706 61.729 62.300 0.226 0.000 0.873 154 V CB 1.680 33.687 31.823 0.306 0.000 0.992 154 V HN 1.290 nan 8.190 nan 0.000 0.428 155 G N 2.868 111.778 108.800 0.184 0.000 2.453 155 G HA2 0.726 4.689 3.960 0.005 0.000 0.323 155 G HA3 0.726 4.689 3.960 0.005 0.000 0.323 155 G C -1.602 173.379 174.900 0.135 0.000 1.198 155 G CA -0.565 44.608 45.100 0.122 0.000 0.959 155 G HN 0.577 nan 8.290 nan 0.000 0.482 156 I N 0.605 121.211 120.570 0.060 0.000 2.436 156 I HA 0.543 4.716 4.170 0.005 0.000 0.289 156 I C -1.197 174.895 176.117 -0.041 0.000 1.010 156 I CA -1.415 59.902 61.300 0.029 0.000 1.098 156 I CB 2.057 40.066 38.000 0.016 0.000 1.266 156 I HN 0.377 nan 8.210 nan 0.000 0.434 157 N N 7.405 126.039 118.700 -0.110 0.000 2.372 157 N HA 0.717 5.459 4.740 0.005 0.000 0.285 157 N C -1.917 173.522 175.510 -0.119 0.000 1.008 157 N CA -0.294 52.660 53.050 -0.160 0.000 0.880 157 N CB 1.076 39.338 38.487 -0.374 0.000 1.239 157 N HN 0.616 nan 8.380 nan 0.000 0.484 158 L N 2.972 124.165 121.223 -0.051 0.000 2.393 158 L HA 0.641 4.984 4.340 0.005 0.000 0.260 158 L C -2.180 174.692 176.870 0.004 0.000 1.002 158 L CA -2.171 52.655 54.840 -0.024 0.000 0.818 158 L CB 2.474 44.527 42.059 -0.010 0.000 1.369 158 L HN 0.451 nan 8.230 nan 0.000 0.412 159 P HA 0.202 nan 4.420 nan 0.000 0.265 159 P C 0.205 177.507 177.300 0.003 0.000 1.193 159 P CA 0.610 63.719 63.100 0.016 0.000 0.765 159 P CB 0.526 32.238 31.700 0.021 0.000 0.823 163 A N 0.915 123.764 122.820 0.049 0.000 1.902 163 A HA 0.000 4.323 4.320 0.005 0.000 0.217 163 A C -0.644 176.982 177.584 0.070 0.000 1.181 163 A CA 2.216 54.289 52.037 0.060 0.000 0.623 163 A CB -1.900 17.126 19.000 0.044 0.000 0.818 163 A HN 0.550 nan 8.150 nan 0.000 0.443 164 P HA -0.111 nan 4.420 nan 0.000 0.216 164 P C 1.746 179.090 177.300 0.073 0.000 1.153 164 P CA 1.912 65.048 63.100 0.060 0.000 0.848 164 P CB -0.140 31.587 31.700 0.045 0.000 0.787 165 A N 0.268 123.129 122.820 0.067 0.000 1.883 165 A HA -0.245 4.078 4.320 0.005 0.000 0.217 165 A C 2.112 179.754 177.584 0.098 0.000 1.186 165 A CA 1.954 54.033 52.037 0.071 0.000 0.624 165 A CB -1.173 17.858 19.000 0.052 0.000 0.822 165 A HN 0.132 nan 8.150 nan 0.000 0.444 166 K N -0.811 119.661 120.400 0.120 0.000 2.074 166 K HA -0.197 4.126 4.320 0.005 0.000 0.209 166 K C 2.368 179.153 176.600 0.308 0.000 1.048 166 K CA 1.684 58.093 56.287 0.203 0.000 0.926 166 K CB -0.217 32.420 32.500 0.229 0.000 0.713 166 K HN 0.399 nan 8.250 nan 0.000 0.444 167 R N 1.299 121.929 120.500 0.215 0.000 2.080 167 R HA -0.169 4.174 4.340 0.005 0.000 0.236 167 R C 2.184 178.606 176.300 0.203 0.000 1.137 167 R CA 1.822 58.043 56.100 0.201 0.000 0.943 167 R CB -0.058 30.312 30.300 0.117 0.000 0.846 167 R HN 0.291 nan 8.270 nan 0.000 0.431 168 E N -0.269 120.019 120.200 0.146 0.000 2.070 168 E HA -0.252 4.101 4.350 0.005 0.000 0.197 168 E C 1.970 178.653 176.600 0.139 0.000 1.004 168 E CA 1.357 57.833 56.400 0.126 0.000 0.805 168 E CB -0.211 29.544 29.700 0.093 0.000 0.744 168 E HN 0.428 nan 8.360 nan 0.000 0.451 169 A N 0.539 123.435 122.820 0.126 0.000 1.940 169 A HA -0.195 4.127 4.320 0.005 0.000 0.219 169 A C 1.850 179.464 177.584 0.049 0.000 1.176 169 A CA 1.338 53.407 52.037 0.052 0.000 0.631 169 A CB -0.728 18.251 19.000 -0.034 0.000 0.814 169 A HN 0.301 nan 8.150 nan 0.000 0.446 170 Y N -0.818 119.572 120.300 0.149 0.000 2.395 170 Y HA 0.127 4.679 4.550 0.004 0.000 0.293 170 Y C 2.632 178.639 175.900 0.178 0.000 1.123 170 Y CA 0.683 58.905 58.100 0.203 0.000 1.227 170 Y CB 0.022 38.602 38.460 0.201 0.000 1.012 170 Y HN 0.336 nan 8.280 nan 0.000 0.552 171 A N 0.143 123.129 122.820 0.276 0.000 2.169 171 A HA 0.348 4.670 4.320 0.005 0.000 0.212 171 A C 1.445 179.112 177.584 0.138 0.000 1.153 171 A CA 0.458 52.604 52.037 0.183 0.000 0.756 171 A CB -0.796 18.286 19.000 0.137 0.000 0.813 171 A HN 0.212 nan 8.150 nan 0.000 0.471 172 A N 0.181 123.082 122.820 0.136 0.000 2.406 172 A HA 0.273 4.596 4.320 0.005 0.000 0.243 172 A C 0.844 178.488 177.584 0.100 0.000 1.082 172 A CA 0.168 52.271 52.037 0.110 0.000 0.786 172 A CB 0.187 19.255 19.000 0.113 0.000 1.029 172 A HN 0.376 nan 8.150 nan 0.000 0.495 173 D N -0.045 120.396 120.400 0.069 0.000 2.133 173 D HA -0.114 4.528 4.640 0.005 0.000 0.195 173 D C 0.324 176.628 176.300 0.006 0.000 0.997 173 D CA 1.795 55.810 54.000 0.025 0.000 0.840 173 D CB -0.062 40.735 40.800 -0.005 0.000 0.947 173 D HN 0.524 nan 8.370 nan 0.000 0.452 174 I N -0.391 120.182 120.570 0.006 0.000 2.619 174 I HA 0.149 4.322 4.170 0.005 0.000 0.292 174 I C -0.633 175.512 176.117 0.045 0.000 1.100 174 I CA -0.378 60.901 61.300 -0.035 0.000 1.043 174 I CB 2.708 40.579 38.000 -0.214 0.000 1.239 174 I HN -0.357 nan 8.210 nan 0.000 0.420 175 T N 4.133 118.684 114.554 -0.005 0.000 2.863 175 T HA 0.595 4.948 4.350 0.005 0.000 0.285 175 T C -1.091 173.525 174.700 -0.140 0.000 1.009 175 T CA -0.566 61.560 62.100 0.044 0.000 0.989 175 T CB 1.079 70.000 68.868 0.088 0.000 1.004 175 T HN 0.198 nan 8.240 nan 0.000 0.455 176 Y N 0.511 120.861 120.300 0.083 0.000 2.446 176 Y HA 0.741 5.293 4.550 0.004 0.000 0.338 176 Y C 0.824 176.684 175.900 -0.067 0.000 1.055 176 Y CA -0.457 57.685 58.100 0.070 0.000 1.101 176 Y CB 2.465 40.949 38.460 0.040 0.000 1.221 176 Y HN 1.016 nan 8.280 nan 0.000 0.460 177 G N 0.037 108.866 108.800 0.048 0.000 2.325 177 G HA2 0.376 4.339 3.960 0.005 0.000 0.297 177 G HA3 0.376 4.339 3.960 0.005 0.000 0.297 177 G C -1.148 173.649 174.900 -0.171 0.000 1.448 177 G CA -0.920 44.025 45.100 -0.259 0.000 0.838 177 G HN 0.633 nan 8.290 nan 0.000 0.579 178 T N -0.852 113.611 114.554 -0.150 0.000 2.882 178 T HA 0.341 4.694 4.350 0.005 0.000 0.287 178 T C 1.765 176.543 174.700 0.129 0.000 1.014 178 T CA 0.280 62.390 62.100 0.017 0.000 1.049 178 T CB 1.309 70.201 68.868 0.040 0.000 1.001 178 T HN 0.847 nan 8.240 nan 0.000 0.525 179 N N 2.715 121.559 118.700 0.240 0.000 2.094 179 N HA -0.240 4.503 4.740 0.005 0.000 0.191 179 N C 1.243 177.001 175.510 0.415 0.000 1.023 179 N CA 1.769 55.076 53.050 0.427 0.000 0.857 179 N CB -1.092 37.501 38.487 0.176 0.000 1.013 179 N HN 0.747 nan 8.380 nan 0.000 0.426 180 N N 0.612 119.501 118.700 0.315 0.000 2.061 180 N HA -0.204 4.539 4.740 0.005 0.000 0.193 180 N C 1.406 176.961 175.510 0.075 0.000 1.030 180 N CA 1.609 54.800 53.050 0.236 0.000 0.856 180 N CB -0.161 38.499 38.487 0.288 0.000 1.023 180 N HN 0.395 nan 8.380 nan 0.000 0.424 181 E N 0.264 120.561 120.200 0.162 0.000 2.230 181 E HA -0.052 4.300 4.350 0.005 0.000 0.192 181 E C 1.420 178.098 176.600 0.130 0.000 0.987 181 E CA 0.600 57.117 56.400 0.195 0.000 0.841 181 E CB -0.066 29.684 29.700 0.082 0.000 0.783 181 E HN 0.318 nan 8.360 nan 0.000 0.481 182 Y N -0.054 120.308 120.300 0.103 0.000 2.097 182 Y HA -0.062 4.491 4.550 0.004 0.000 0.282 182 Y C 2.374 178.115 175.900 -0.265 0.000 1.152 182 Y CA 1.611 59.757 58.100 0.078 0.000 1.136 182 Y CB -1.100 37.492 38.460 0.219 0.000 0.975 182 Y HN 0.197 nan 8.280 nan 0.000 0.498 183 G N -0.581 107.924 108.800 -0.492 0.000 2.491 183 G HA2 -0.286 3.676 3.960 0.005 0.000 0.218 183 G HA3 -0.286 3.676 3.960 0.005 0.000 0.218 183 G C 1.530 176.262 174.900 -0.281 0.000 1.180 183 G CA 1.150 45.739 45.100 -0.851 0.000 0.774 183 G HN 0.283 nan 8.290 nan 0.000 0.562 184 F N 1.597 121.509 119.950 -0.063 0.000 2.126 184 F HA -0.036 4.493 4.527 0.004 0.000 0.299 184 F C 2.499 178.317 175.800 0.030 0.000 1.096 184 F CA 1.272 59.270 58.000 -0.003 0.000 1.255 184 F CB -0.443 38.564 39.000 0.011 0.000 0.997 184 F HN 0.095 nan 8.300 nan 0.000 0.479 185 D N -1.360 119.193 120.400 0.255 0.000 2.149 185 D HA -0.234 4.409 4.640 0.005 0.000 0.198 185 D C 2.084 178.450 176.300 0.109 0.000 0.990 185 D CA 1.109 55.214 54.000 0.175 0.000 0.839 185 D CB -0.605 40.341 40.800 0.243 0.000 0.948 185 D HN 0.314 nan 8.370 nan 0.000 0.460 186 Y N 1.374 121.704 120.300 0.051 0.000 2.114 186 Y HA -0.150 4.403 4.550 0.004 0.000 0.284 186 Y C 2.246 178.179 175.900 0.055 0.000 1.143 186 Y CA 1.294 59.438 58.100 0.073 0.000 1.135 186 Y CB -0.478 38.092 38.460 0.183 0.000 0.980 186 Y HN -0.095 nan 8.280 nan 0.000 0.499 187 L N -0.200 121.057 121.223 0.056 0.000 1.989 187 L HA -0.274 4.069 4.340 0.005 0.000 0.211 187 L C 2.628 179.458 176.870 -0.067 0.000 1.071 187 L CA 1.884 56.743 54.840 0.032 0.000 0.749 187 L CB -0.588 41.587 42.059 0.194 0.000 0.890 187 L HN 0.172 nan 8.230 nan 0.000 0.431 188 R N -0.168 120.334 120.500 0.002 0.000 2.096 188 R HA -0.164 4.179 4.340 0.005 0.000 0.235 188 R C 1.896 178.139 176.300 -0.095 0.000 1.127 188 R CA 1.487 57.578 56.100 -0.015 0.000 0.968 188 R CB -0.502 29.815 30.300 0.028 0.000 0.861 188 R HN 0.348 nan 8.270 nan 0.000 0.440 189 D N 0.506 120.816 120.400 -0.150 0.000 2.149 189 D HA -0.108 4.535 4.640 0.005 0.000 0.194 189 D C 0.616 176.719 176.300 -0.328 0.000 1.001 189 D CA 1.095 54.963 54.000 -0.221 0.000 0.849 189 D CB -0.197 40.452 40.800 -0.252 0.000 0.939 189 D HN 0.211 nan 8.370 nan 0.000 0.449 193 F N 1.545 121.475 119.950 -0.033 0.000 2.765 193 F HA 0.303 4.833 4.527 0.004 0.000 0.302 193 F C 1.387 177.188 175.800 0.001 0.000 1.111 193 F CA 1.312 59.303 58.000 -0.015 0.000 1.359 193 F CB 0.636 39.637 39.000 0.001 0.000 1.097 193 F HN 0.744 nan 8.300 nan 0.000 0.577 194 S N -1.072 114.685 115.700 0.094 0.000 2.533 194 S HA 0.364 4.836 4.470 0.005 0.000 0.271 194 S C -2.369 172.240 174.600 0.014 0.000 1.143 194 S CA -1.166 57.072 58.200 0.063 0.000 0.891 194 S CB 2.082 65.342 63.200 0.100 0.000 1.105 194 S HN -0.190 nan 8.310 nan 0.000 0.468 195 P HA -0.057 nan 4.420 nan 0.000 0.223 195 P C 0.910 178.206 177.300 -0.008 0.000 1.151 195 P CA 0.991 64.078 63.100 -0.021 0.000 0.787 195 P CB 0.023 31.711 31.700 -0.020 0.000 0.788 196 E N 0.853 121.060 120.200 0.012 0.000 2.347 196 E HA -0.145 4.207 4.350 0.005 0.000 0.196 196 E C 1.585 178.194 176.600 0.015 0.000 1.008 196 E CA 0.753 57.163 56.400 0.017 0.000 0.852 196 E CB -0.710 29.005 29.700 0.025 0.000 0.783 196 E HN 0.421 nan 8.360 nan 0.000 0.505 197 E N 1.053 121.261 120.200 0.014 0.000 2.274 197 E HA -0.024 4.329 4.350 0.005 0.000 0.194 197 E C 0.396 176.991 176.600 -0.008 0.000 0.996 197 E CA 0.019 56.427 56.400 0.013 0.000 0.840 197 E CB 0.051 29.767 29.700 0.027 0.000 0.772 197 E HN 0.160 nan 8.360 nan 0.000 0.491 198 R N 0.708 121.190 120.500 -0.031 0.000 2.583 198 R HA -0.049 4.294 4.340 0.005 0.000 0.274 198 R C 1.352 177.621 176.300 -0.053 0.000 0.998 198 R CA 0.047 56.111 56.100 -0.061 0.000 1.081 198 R CB 0.648 30.904 30.300 -0.074 0.000 0.940 198 R HN 0.085 nan 8.270 nan 0.000 0.413 199 V N -0.285 119.572 119.914 -0.095 0.000 3.125 199 V HA 0.040 4.163 4.120 0.005 0.000 0.249 199 V C 0.672 176.571 176.094 -0.325 0.000 1.113 199 V CA 0.480 62.716 62.300 -0.106 0.000 1.106 199 V CB -0.130 31.677 31.823 -0.027 0.000 0.768 199 V HN 0.573 nan 8.190 nan 0.000 0.468 200 Q N 0.747 120.278 119.800 -0.449 0.000 2.212 200 Q HA 0.529 4.871 4.340 0.005 0.000 0.238 200 Q C -0.427 175.488 176.000 -0.142 0.000 0.955 200 Q CA -0.662 54.792 55.803 -0.582 0.000 0.906 200 Q CB 1.733 30.208 28.738 -0.438 0.000 1.215 200 Q HN 0.436 nan 8.270 nan 0.000 0.478 201 R N 0.480 120.987 120.500 0.012 0.000 2.606 201 R HA 0.263 4.605 4.340 0.005 0.000 0.249 201 R C -0.149 176.182 176.300 0.052 0.000 1.127 201 R CA -0.854 55.280 56.100 0.056 0.000 1.133 201 R CB 0.559 30.927 30.300 0.113 0.000 1.243 201 R HN 0.421 nan 8.270 nan 0.000 0.558 202 K N 1.265 121.683 120.400 0.029 0.000 2.561 202 K HA -0.059 4.264 4.320 0.005 0.000 0.280 202 K C -0.531 176.060 176.600 -0.015 0.000 0.975 202 K CA 0.259 56.550 56.287 0.007 0.000 1.024 202 K CB 0.292 32.792 32.500 0.000 0.000 0.883 202 K HN 0.361 nan 8.250 nan 0.000 0.496 203 L N 5.932 127.085 121.223 -0.117 0.000 2.363 203 L HA 0.064 4.407 4.340 0.005 0.000 0.286 203 L C 1.441 178.234 176.870 -0.129 0.000 1.106 203 L CA -0.199 54.426 54.840 -0.358 0.000 0.859 203 L CB 0.246 41.759 42.059 -0.910 0.000 1.223 203 L HN 0.809 nan 8.230 nan 0.000 0.446 204 H N 4.188 123.218 119.070 -0.066 0.000 2.316 204 H HA 0.031 4.591 4.556 0.006 0.000 0.314 204 H C -0.734 174.739 175.328 0.241 0.000 1.057 204 H CA 0.323 56.401 56.048 0.050 0.000 1.402 204 H CB 0.745 30.509 29.762 0.004 0.000 1.443 204 H HN 0.455 nan 8.280 nan 0.000 0.559 205 Y N 0.570 120.710 120.300 -0.266 0.000 2.396 205 Y HA 0.526 5.078 4.550 0.004 0.000 0.332 205 Y C -1.611 174.052 175.900 -0.394 0.000 1.034 205 Y CA -0.718 57.149 58.100 -0.387 0.000 1.057 205 Y CB 1.424 39.526 38.460 -0.597 0.000 1.220 205 Y HN 0.334 nan 8.280 nan 0.000 0.440 206 A N 6.159 128.397 122.820 -0.970 0.000 2.304 206 A HA 0.672 4.995 4.320 0.005 0.000 0.314 206 A C -2.208 174.706 177.584 -1.117 0.000 1.187 206 A CA -0.620 50.752 52.037 -1.109 0.000 0.810 206 A CB 0.883 19.033 19.000 -1.418 0.000 1.183 206 A HN 0.698 nan 8.150 nan 0.000 0.487 207 L N 4.401 125.057 121.223 -0.945 0.000 2.295 207 L HA 0.559 4.902 4.340 0.005 0.000 0.281 207 L C -0.926 175.688 176.870 -0.425 0.000 1.018 207 L CA -0.272 54.151 54.840 -0.694 0.000 0.841 207 L CB 1.296 43.002 42.059 -0.588 0.000 1.218 207 L HN 0.372 nan 8.230 nan 0.000 0.424 208 V N 5.497 125.155 119.914 -0.426 0.000 2.406 208 V HA 0.248 4.371 4.120 0.005 0.000 0.272 208 V C 0.705 176.646 176.094 -0.254 0.000 1.043 208 V CA -0.369 61.706 62.300 -0.375 0.000 0.915 208 V CB 1.038 32.529 31.823 -0.553 0.000 0.988 208 V HN 0.660 nan 8.190 nan 0.000 0.466 209 D N 3.139 123.439 120.400 -0.166 0.000 2.183 209 D HA -0.058 4.585 4.640 0.005 0.000 0.203 209 D C 1.030 177.270 176.300 -0.099 0.000 0.969 209 D CA 1.172 55.113 54.000 -0.100 0.000 0.842 209 D CB 0.398 41.177 40.800 -0.036 0.000 0.957 209 D HN 0.870 nan 8.370 nan 0.000 0.484 210 E N 0.109 120.240 120.200 -0.116 0.000 2.621 210 E HA 0.205 4.557 4.350 0.005 0.000 0.263 210 E C 0.751 177.281 176.600 -0.116 0.000 1.033 210 E CA -0.313 56.030 56.400 -0.095 0.000 0.778 210 E CB 1.355 31.023 29.700 -0.054 0.000 1.426 210 E HN -0.076 nan 8.360 nan 0.000 0.394 211 V N 0.782 120.612 119.914 -0.140 0.000 2.515 211 V HA -0.156 3.967 4.120 0.005 0.000 0.250 211 V C 1.403 177.541 176.094 0.072 0.000 1.058 211 V CA 1.586 63.812 62.300 -0.123 0.000 1.064 211 V CB -0.414 31.244 31.823 -0.275 0.000 0.675 211 V HN 0.443 nan 8.190 nan 0.000 0.461 212 D N 1.878 122.340 120.400 0.103 0.000 2.133 212 D HA -0.154 4.489 4.640 0.005 0.000 0.195 212 D C 2.509 178.830 176.300 0.036 0.000 0.997 212 D CA 2.326 56.396 54.000 0.118 0.000 0.840 212 D CB -0.238 40.605 40.800 0.071 0.000 0.947 212 D HN 0.754 nan 8.370 nan 0.000 0.452 213 S N -0.665 115.031 115.700 -0.007 0.000 2.441 213 S HA 0.074 4.547 4.470 0.005 0.000 0.224 213 S C 2.229 176.790 174.600 -0.066 0.000 1.043 213 S CA -0.021 58.164 58.200 -0.025 0.000 0.948 213 S CB -0.252 62.930 63.200 -0.030 0.000 0.810 213 S HN 0.180 nan 8.310 nan 0.000 0.504 214 I N 1.354 121.855 120.570 -0.115 0.000 2.193 214 I HA -0.027 4.146 4.170 0.005 0.000 0.240 214 I C 2.352 178.357 176.117 -0.185 0.000 1.084 214 I CA 1.139 62.306 61.300 -0.222 0.000 1.365 214 I CB -0.230 37.602 38.000 -0.280 0.000 1.064 214 I HN 0.242 nan 8.210 nan 0.000 0.410 215 L N -0.155 120.985 121.223 -0.139 0.000 2.162 215 L HA -0.077 4.266 4.340 0.005 0.000 0.205 215 L C 2.280 179.271 176.870 0.202 0.000 1.086 215 L CA 0.678 55.497 54.840 -0.036 0.000 0.778 215 L CB -0.131 41.778 42.059 -0.249 0.000 0.928 215 L HN 0.216 nan 8.230 nan 0.000 0.446 216 I N -0.427 120.199 120.570 0.094 0.000 2.522 216 I HA -0.085 4.088 4.170 0.005 0.000 0.240 216 I C 2.077 178.220 176.117 0.044 0.000 1.078 216 I CA 1.008 62.321 61.300 0.021 0.000 1.422 216 I CB -1.252 36.652 38.000 -0.160 0.000 1.188 216 I HN 0.123 nan 8.210 nan 0.000 0.442 217 D N 1.093 121.508 120.400 0.025 0.000 2.178 217 D HA -0.153 4.490 4.640 0.005 0.000 0.201 217 D C 1.387 177.729 176.300 0.071 0.000 0.980 217 D CA 1.050 55.071 54.000 0.035 0.000 0.842 217 D CB 0.065 40.878 40.800 0.021 0.000 0.948 217 D HN 0.405 nan 8.370 nan 0.000 0.472 218 E N -0.147 120.102 120.200 0.082 0.000 2.499 218 E HA 0.240 4.593 4.350 0.005 0.000 0.199 218 E C 1.485 178.259 176.600 0.290 0.000 1.016 218 E CA -0.211 56.278 56.400 0.149 0.000 0.933 218 E CB 0.819 30.549 29.700 0.050 0.000 1.050 218 E HN 0.080 nan 8.360 nan 0.000 0.462 219 A N 1.269 124.236 122.820 0.246 0.000 1.927 219 A HA -0.208 4.115 4.320 0.005 0.000 0.220 219 A C 2.035 179.782 177.584 0.271 0.000 1.185 219 A CA 1.349 53.570 52.037 0.307 0.000 0.639 219 A CB -0.158 18.971 19.000 0.214 0.000 0.820 219 A HN 0.118 nan 8.150 nan 0.000 0.451 220 R N -0.768 119.845 120.500 0.188 0.000 2.362 220 R HA 0.083 4.426 4.340 0.005 0.000 0.227 220 R C -0.303 176.055 176.300 0.097 0.000 0.905 220 R CA 0.189 56.358 56.100 0.116 0.000 1.067 220 R CB -0.018 30.317 30.300 0.059 0.000 1.078 220 R HN 0.349 nan 8.270 nan 0.000 0.516 221 T N 4.731 119.384 114.554 0.165 0.000 2.758 221 T HA 0.064 4.416 4.350 0.005 0.000 0.281 221 T C -2.346 172.321 174.700 -0.056 0.000 0.963 221 T CA -0.769 61.403 62.100 0.119 0.000 1.201 221 T CB 0.567 69.616 68.868 0.302 0.000 0.906 221 T HN 0.028 nan 8.240 nan 0.000 0.528 222 P HA 0.250 nan 4.420 nan 0.000 0.276 222 P C -0.300 176.869 177.300 -0.219 0.000 1.235 222 P CA -0.464 62.552 63.100 -0.139 0.000 0.772 222 P CB 0.517 32.175 31.700 -0.070 0.000 0.871 223 L N 4.597 125.597 121.223 -0.371 0.000 2.290 223 L HA 0.408 4.751 4.340 0.005 0.000 0.284 223 L C 0.435 177.270 176.870 -0.059 0.000 1.078 223 L CA -0.201 54.417 54.840 -0.370 0.000 0.815 223 L CB 0.157 41.757 42.059 -0.765 0.000 1.162 223 L HN 0.262 nan 8.230 nan 0.000 0.435 224 I N 4.446 125.111 120.570 0.159 0.000 2.498 224 I HA 0.389 4.562 4.170 0.005 0.000 0.290 224 I C -0.501 175.770 176.117 0.257 0.000 1.032 224 I CA -0.449 60.946 61.300 0.157 0.000 1.073 224 I CB 2.647 40.696 38.000 0.081 0.000 1.251 224 I HN 0.444 nan 8.210 nan 0.000 0.426 225 I N 5.395 126.082 120.570 0.194 0.000 2.339 225 I HA 0.286 4.458 4.170 0.005 0.000 0.290 225 I C 0.092 176.255 176.117 0.076 0.000 0.994 225 I CA 0.062 61.437 61.300 0.125 0.000 1.191 225 I CB 1.456 39.535 38.000 0.132 0.000 1.343 225 I HN 0.578 nan 8.210 nan 0.000 0.458 226 S N 3.966 119.689 115.700 0.040 0.000 2.704 226 S HA 0.946 5.419 4.470 0.005 0.000 0.305 226 S C -0.200 174.411 174.600 0.018 0.000 1.107 226 S CA -0.886 57.331 58.200 0.027 0.000 0.993 226 S CB 2.130 65.339 63.200 0.016 0.000 1.110 226 S HN 0.815 nan 8.310 nan 0.000 0.534 227 G N 0.396 109.208 108.800 0.020 0.000 2.659 227 G HA2 0.536 4.498 3.960 0.005 0.000 0.291 227 G HA3 0.536 4.498 3.960 0.005 0.000 0.291 227 G C -2.989 171.921 174.900 0.017 0.000 1.379 227 G CA -1.274 43.836 45.100 0.017 0.000 1.254 227 G HN 0.407 nan 8.290 nan 0.000 0.590 228 P HA -0.061 nan 4.420 nan 0.000 0.229 228 P C 1.812 179.121 177.300 0.015 0.000 1.150 228 P CA 1.106 64.211 63.100 0.008 0.000 0.765 228 P CB 0.293 31.993 31.700 0.000 0.000 0.783 229 A N -0.770 122.061 122.820 0.019 0.000 2.213 229 A HA -0.246 4.077 4.320 0.005 0.000 0.198 229 A C 1.364 178.972 177.584 0.041 0.000 1.449 229 A CA 0.996 53.051 52.037 0.029 0.000 1.069 229 A CB -1.353 17.668 19.000 0.034 0.000 0.721 229 A HN 0.173 nan 8.150 nan 0.000 0.589 230 E N 0.143 120.366 120.200 0.039 0.000 4.472 230 E HA 0.193 4.545 4.350 0.005 0.000 0.578 230 E C 1.159 177.796 176.600 0.061 0.000 0.804 230 E CA 1.450 57.883 56.400 0.054 0.000 3.893 230 E CB 0.112 29.841 29.700 0.049 0.000 2.177 230 E HN 0.706 nan 8.360 nan 0.000 0.334 231 D N -3.645 116.798 120.400 0.072 0.000 1.874 231 D HA 0.103 4.745 4.640 0.005 0.000 0.411 231 D C -0.320 176.030 176.300 0.084 0.000 1.282 231 D CA -0.252 53.791 54.000 0.072 0.000 1.161 231 D CB -0.108 40.739 40.800 0.078 0.000 2.504 231 D HN 0.153 nan 8.370 nan 0.000 0.334 232 S N -1.440 114.336 115.700 0.127 0.000 2.578 232 S HA 0.734 5.207 4.470 0.005 0.000 0.301 232 S C -0.149 174.589 174.600 0.230 0.000 1.091 232 S CA -0.192 58.101 58.200 0.154 0.000 1.032 232 S CB 1.782 65.076 63.200 0.156 0.000 1.064 232 S HN 0.278 nan 8.310 nan 0.000 0.508 233 S N 0.797 116.622 115.700 0.208 0.000 2.918 233 S HA 0.108 4.581 4.470 0.005 0.000 0.264 233 S C -0.140 174.609 174.600 0.248 0.000 1.078 233 S CA -0.391 57.956 58.200 0.244 0.000 0.918 233 S CB -0.222 63.037 63.200 0.099 0.000 0.882 233 S HN 0.829 nan 8.310 nan 0.000 0.466 237 K N 0.787 121.250 120.400 0.104 0.000 2.108 237 K HA 0.049 4.372 4.320 0.005 0.000 0.204 237 K C 1.957 178.564 176.600 0.011 0.000 1.036 237 K CA 0.451 56.771 56.287 0.054 0.000 0.965 237 K CB 0.159 32.687 32.500 0.048 0.000 0.804 237 K HN -0.074 nan 8.250 nan 0.000 0.454 238 R N 0.873 121.360 120.500 -0.022 0.000 2.168 238 R HA -0.180 4.163 4.340 0.005 0.000 0.242 238 R C 2.254 178.526 176.300 -0.047 0.000 1.123 238 R CA 1.769 57.841 56.100 -0.046 0.000 0.928 238 R CB -1.249 28.999 30.300 -0.087 0.000 0.873 238 R HN 0.178 nan 8.270 nan 0.000 0.434 239 V N 1.528 121.390 119.914 -0.087 0.000 2.515 239 V HA -0.217 3.906 4.120 0.005 0.000 0.250 239 V C 2.153 178.240 176.094 -0.011 0.000 1.058 239 V CA 1.828 64.086 62.300 -0.070 0.000 1.064 239 V CB -0.715 31.028 31.823 -0.133 0.000 0.675 239 V HN 0.397 nan 8.190 nan 0.000 0.461 240 N N 1.176 119.882 118.700 0.011 0.000 2.084 240 N HA -0.230 4.513 4.740 0.005 0.000 0.190 240 N C 1.736 177.275 175.510 0.049 0.000 1.030 240 N CA 1.716 54.789 53.050 0.038 0.000 0.849 240 N CB -0.305 38.211 38.487 0.048 0.000 1.012 240 N HN 0.270 nan 8.380 nan 0.000 0.423 241 K N 0.420 120.842 120.400 0.037 0.000 2.286 241 K HA -0.023 4.300 4.320 0.005 0.000 0.203 241 K C 1.720 178.354 176.600 0.058 0.000 1.045 241 K CA 0.738 57.052 56.287 0.044 0.000 0.935 241 K CB -0.493 32.022 32.500 0.026 0.000 0.737 241 K HN 0.432 nan 8.250 nan 0.000 0.460 242 I N 0.196 120.794 120.570 0.046 0.000 3.059 242 I HA -0.119 4.054 4.170 0.005 0.000 0.270 242 I C 0.873 177.041 176.117 0.085 0.000 1.238 242 I CA 0.742 62.074 61.300 0.053 0.000 1.478 242 I CB -0.069 37.944 38.000 0.023 0.000 1.097 242 I HN 0.079 nan 8.210 nan 0.000 0.455 243 I N 3.032 123.656 120.570 0.091 0.000 2.617 243 I HA -0.014 4.159 4.170 0.005 0.000 0.256 243 I C -0.857 175.310 176.117 0.083 0.000 1.167 243 I CA 0.742 62.108 61.300 0.110 0.000 1.469 243 I CB -2.618 35.485 38.000 0.171 0.000 1.098 243 I HN 0.214 nan 8.210 nan 0.000 0.436 244 P HA 0.073 nan 4.420 nan 0.000 0.243 244 P C -0.548 176.674 177.300 -0.130 0.000 1.668 244 P CA 0.527 63.612 63.100 -0.025 0.000 0.898 244 P CB -0.730 30.965 31.700 -0.009 0.000 1.637 245 H N -0.143 118.927 119.070 -0.001 0.000 2.600 245 H HA 0.429 4.988 4.556 0.005 0.000 0.224 245 H C -0.686 174.636 175.328 -0.009 0.000 1.413 245 H CA -0.129 55.915 56.048 -0.007 0.000 1.401 245 H CB 0.190 29.950 29.762 -0.003 0.000 1.772 245 H HN -0.009 nan 8.280 nan 0.000 0.528 246 L N 2.167 123.405 121.223 0.026 0.000 2.555 246 L HA 0.357 4.700 4.340 0.005 0.000 0.264 246 L C -0.679 176.173 176.870 -0.031 0.000 0.972 246 L CA -0.413 54.434 54.840 0.011 0.000 0.876 246 L CB 1.879 43.950 42.059 0.020 0.000 1.216 246 L HN 0.345 nan 8.230 nan 0.000 0.415 247 I N 4.906 125.464 120.570 -0.019 0.000 3.064 247 I HA 0.316 4.489 4.170 0.005 0.000 0.340 247 I C 0.209 176.309 176.117 -0.028 0.000 1.405 247 I CA 0.116 61.396 61.300 -0.034 0.000 0.912 247 I CB -0.362 37.625 38.000 -0.022 0.000 1.993 247 I HN 0.694 nan 8.210 nan 0.000 0.547 281 L N 0.972 122.192 121.223 -0.004 0.000 2.465 281 L HA -0.026 4.317 4.340 0.005 0.000 0.224 281 L C 2.290 179.166 176.870 0.010 0.000 1.145 281 L CA 1.342 56.183 54.840 0.002 0.000 0.834 281 L CB -0.490 41.568 42.059 -0.001 0.000 0.944 281 L HN 0.545 nan 8.230 nan 0.000 0.451 282 I N 0.469 121.046 120.570 0.012 0.000 2.151 282 I HA -0.325 3.848 4.170 0.005 0.000 0.243 282 I C 2.530 178.669 176.117 0.037 0.000 1.080 282 I CA 1.817 63.136 61.300 0.033 0.000 1.339 282 I CB -0.329 37.699 38.000 0.047 0.000 1.039 282 I HN 0.316 nan 8.210 nan 0.000 0.409 283 E N 0.641 120.859 120.200 0.029 0.000 2.046 283 E HA -0.219 4.134 4.350 0.005 0.000 0.190 283 E C 1.978 178.589 176.600 0.019 0.000 0.982 283 E CA 1.503 57.920 56.400 0.027 0.000 0.800 283 E CB -0.260 29.454 29.700 0.023 0.000 0.756 283 E HN 0.678 nan 8.360 nan 0.000 0.449 284 E N 1.304 121.514 120.200 0.016 0.000 2.048 284 E HA -0.241 4.112 4.350 0.005 0.000 0.202 284 E C 2.284 178.893 176.600 0.014 0.000 1.021 284 E CA 0.806 57.214 56.400 0.013 0.000 0.825 284 E CB -0.794 28.914 29.700 0.014 0.000 0.756 284 E HN 0.238 nan 8.360 nan 0.000 0.454 285 L N 0.991 122.225 121.223 0.018 0.000 1.990 285 L HA -0.153 4.190 4.340 0.005 0.000 0.213 285 L C 2.719 179.598 176.870 0.015 0.000 1.072 285 L CA 1.342 56.193 54.840 0.018 0.000 0.755 285 L CB -1.425 40.647 42.059 0.022 0.000 0.889 285 L HN 0.166 nan 8.230 nan 0.000 0.432 286 L N -0.978 120.257 121.223 0.021 0.000 1.941 286 L HA -0.237 4.106 4.340 0.005 0.000 0.224 286 L C 1.671 178.545 176.870 0.007 0.000 1.081 286 L CA 1.173 56.023 54.840 0.018 0.000 0.784 286 L CB -0.775 41.301 42.059 0.027 0.000 0.894 286 L HN 0.028 nan 8.230 nan 0.000 0.436 287 V N 2.091 122.008 119.914 0.005 0.000 2.159 287 V HA 0.028 4.150 4.120 0.005 0.000 0.296 287 V C 0.097 176.187 176.094 -0.006 0.000 1.762 287 V CA 0.282 62.582 62.300 -0.000 0.000 1.708 287 V CB -1.579 30.245 31.823 0.001 0.000 1.484 287 V HN 0.360 nan 8.190 nan 0.000 0.512 288 K N 2.309 122.704 120.400 -0.009 0.000 2.542 288 K HA 0.731 5.054 4.320 0.005 0.000 0.259 288 K C -1.131 175.459 176.600 -0.017 0.000 0.932 288 K CA -0.800 55.479 56.287 -0.014 0.000 0.820 288 K CB 2.373 34.864 32.500 -0.016 0.000 1.345 288 K HN 0.081 nan 8.250 nan 0.000 0.432 289 E N 0.165 120.354 120.200 -0.018 0.000 6.317 289 E HA -0.102 4.251 4.350 0.005 0.000 0.553 289 E C -0.108 176.481 176.600 -0.019 0.000 1.444 289 E CA 0.714 57.102 56.400 -0.021 0.000 3.015 289 E CB -1.320 28.364 29.700 -0.026 0.000 0.804 289 E HN 0.976 nan 8.360 nan 0.000 0.263 290 G N -0.153 108.634 108.800 -0.020 0.000 3.518 290 G HA2 0.456 4.419 3.960 0.005 0.000 0.273 290 G HA3 0.456 4.419 3.960 0.005 0.000 0.273 290 G C 0.132 175.019 174.900 -0.022 0.000 1.199 290 G CA 0.430 45.519 45.100 -0.018 0.000 0.899 290 G HN 0.179 nan 8.290 nan 0.000 0.533 294 E N 2.142 122.333 120.200 -0.015 0.000 2.379 294 E HA 0.392 4.745 4.350 0.005 0.000 0.209 294 E C 1.055 177.646 176.600 -0.016 0.000 1.284 294 E CA 0.845 57.236 56.400 -0.015 0.000 1.333 294 E CB -1.122 28.567 29.700 -0.019 0.000 1.307 294 E HN 0.565 nan 8.360 nan 0.000 0.441 295 G N 1.439 110.232 108.800 -0.012 0.000 2.295 295 G HA2 -0.329 3.634 3.960 0.005 0.000 0.287 295 G HA3 -0.329 3.634 3.960 0.005 0.000 0.287 295 G C -0.132 174.759 174.900 -0.014 0.000 1.055 295 G CA 0.593 45.687 45.100 -0.009 0.000 0.922 295 G HN 0.475 nan 8.290 nan 0.000 0.503 296 E N -0.417 119.772 120.200 -0.018 0.000 2.561 296 E HA 0.666 5.019 4.350 0.005 0.000 0.254 296 E C 0.394 176.978 176.600 -0.026 0.000 1.213 296 E CA -0.190 56.193 56.400 -0.029 0.000 0.995 296 E CB 0.931 30.612 29.700 -0.032 0.000 1.233 296 E HN 0.280 nan 8.360 nan 0.000 0.556 297 S N 0.089 115.757 115.700 -0.052 0.000 2.473 297 S HA 0.205 4.678 4.470 0.005 0.000 0.307 297 S C -0.035 174.529 174.600 -0.059 0.000 1.094 297 S CA -0.641 57.519 58.200 -0.066 0.000 1.070 297 S CB 1.089 64.182 63.200 -0.178 0.000 1.019 297 S HN 0.518 nan 8.310 nan 0.000 0.480 298 L N 5.571 126.799 121.223 0.008 0.000 2.307 298 L HA 0.286 4.629 4.340 0.005 0.000 0.211 298 L C 1.475 178.383 176.870 0.064 0.000 1.099 298 L CA 1.321 56.181 54.840 0.033 0.000 0.816 298 L CB -0.537 41.556 42.059 0.057 0.000 0.952 298 L HN 0.930 nan 8.230 nan 0.000 0.455 299 Y N -0.420 119.888 120.300 0.013 0.000 2.465 299 Y HA 0.371 4.924 4.550 0.005 0.000 0.311 299 Y C 0.872 176.786 175.900 0.024 0.000 1.204 299 Y CA -0.500 57.610 58.100 0.018 0.000 1.272 299 Y CB -1.475 36.996 38.460 0.019 0.000 1.083 299 Y HN 0.219 nan 8.280 nan 0.000 0.508 300 S N 2.461 118.022 115.700 -0.232 0.000 2.505 300 S HA 0.283 4.756 4.470 0.005 0.000 0.276 300 S C -2.465 172.093 174.600 -0.071 0.000 1.274 300 S CA -1.527 56.533 58.200 -0.233 0.000 1.053 300 S CB 0.650 63.732 63.200 -0.196 0.000 0.919 300 S HN 0.288 nan 8.310 nan 0.000 0.490 301 P HA 0.315 nan 4.420 nan 0.000 0.263 301 P C 0.219 177.523 177.300 0.007 0.000 1.601 301 P CA 0.047 63.156 63.100 0.016 0.000 1.161 301 P CB 0.243 31.965 31.700 0.036 0.000 1.730 302 A N 3.767 126.594 122.820 0.011 0.000 3.421 302 A HA -0.056 4.267 4.320 0.005 0.000 0.192 302 A C 1.083 178.676 177.584 0.015 0.000 1.395 302 A CA -0.166 51.877 52.037 0.011 0.000 1.256 302 A CB -0.928 18.063 19.000 -0.016 0.000 0.943 302 A HN 0.333 nan 8.150 nan 0.000 0.399 303 N N 0.798 119.500 118.700 0.004 0.000 2.322 303 N HA 0.280 5.023 4.740 0.005 0.000 0.216 303 N C 0.224 175.757 175.510 0.037 0.000 1.144 303 N CA 0.124 53.183 53.050 0.015 0.000 0.830 303 N CB -0.114 38.371 38.487 -0.003 0.000 1.034 303 N HN 0.741 nan 8.380 nan 0.000 0.484 309 H N 0.621 119.572 119.070 -0.198 0.000 2.293 309 H HA -0.088 4.471 4.556 0.005 0.000 0.300 309 H C 2.374 177.579 175.328 -0.206 0.000 1.082 309 H CA 2.430 58.329 56.048 -0.249 0.000 1.308 309 H CB -0.430 29.188 29.762 -0.241 0.000 1.375 309 H HN 0.335 nan 8.280 nan 0.000 0.495 310 V N -0.816 119.091 119.914 -0.011 0.000 2.407 310 V HA -0.168 3.955 4.120 0.005 0.000 0.248 310 V C 2.239 178.294 176.094 -0.066 0.000 1.055 310 V CA 2.596 64.879 62.300 -0.028 0.000 1.049 310 V CB -0.992 30.826 31.823 -0.007 0.000 0.662 310 V HN 0.318 nan 8.190 nan 0.000 0.455 311 T N -0.893 113.589 114.554 -0.121 0.000 3.113 311 T HA 0.316 4.669 4.350 0.005 0.000 0.256 311 T C 1.654 176.239 174.700 -0.192 0.000 1.131 311 T CA 1.140 63.163 62.100 -0.130 0.000 1.074 311 T CB -0.280 68.521 68.868 -0.112 0.000 0.944 311 T HN 0.807 nan 8.240 nan 0.000 0.516 312 A N 0.397 123.051 122.820 -0.277 0.000 1.943 312 A HA 0.562 4.884 4.320 0.005 0.000 0.213 312 A C 2.580 180.086 177.584 -0.130 0.000 1.181 312 A CA 1.090 52.980 52.037 -0.244 0.000 0.653 312 A CB -0.909 17.895 19.000 -0.326 0.000 0.833 312 A HN 0.525 nan 8.150 nan 0.000 0.451 313 A N -0.180 122.584 122.820 -0.093 0.000 1.972 313 A HA 0.043 4.365 4.320 0.005 0.000 0.219 313 A C 2.065 179.588 177.584 -0.102 0.000 1.169 313 A CA 1.421 53.414 52.037 -0.074 0.000 0.635 313 A CB -0.467 18.522 19.000 -0.018 0.000 0.810 313 A HN 0.452 nan 8.150 nan 0.000 0.446 314 L N -1.767 119.438 121.223 -0.031 0.000 2.168 314 L HA 0.046 4.389 4.340 0.005 0.000 0.203 314 L C 2.624 179.534 176.870 0.067 0.000 1.078 314 L CA 1.023 55.910 54.840 0.078 0.000 0.780 314 L CB -0.399 41.693 42.059 0.056 0.000 0.939 314 L HN 0.348 nan 8.230 nan 0.000 0.451 315 R N 1.216 121.701 120.500 -0.025 0.000 2.105 315 R HA -0.078 4.265 4.340 0.005 0.000 0.239 315 R C 1.078 177.333 176.300 -0.075 0.000 1.135 315 R CA 1.009 57.090 56.100 -0.032 0.000 0.967 315 R CB -0.143 30.124 30.300 -0.055 0.000 0.861 315 R HN 0.287 nan 8.270 nan 0.000 0.442 316 A N 2.247 124.954 122.820 -0.188 0.000 2.770 316 A HA 0.114 4.437 4.320 0.005 0.000 0.292 316 A C -0.955 176.236 177.584 -0.656 0.000 1.604 316 A CA 0.286 52.143 52.037 -0.301 0.000 1.271 316 A CB -0.359 18.478 19.000 -0.272 0.000 1.075 316 A HN 0.444 nan 8.150 nan 0.000 0.573 367 N N 0.374 119.036 118.700 -0.063 0.000 1.941 367 N HA 0.014 4.757 4.740 0.005 0.000 0.229 367 N C -1.330 174.154 175.510 -0.043 0.000 1.397 367 N CA 0.597 53.615 53.050 -0.052 0.000 0.824 367 N CB 0.956 39.429 38.487 -0.023 0.000 1.083 367 N HN 0.186 nan 8.380 nan 0.000 0.488 368 E N 0.381 120.555 120.200 -0.043 0.000 7.578 368 E HA -0.288 4.065 4.350 0.005 0.000 0.461 368 E C -1.198 175.402 176.600 0.002 0.000 0.548 368 E CA 0.986 57.376 56.400 -0.018 0.000 0.987 368 E CB -1.003 28.689 29.700 -0.012 0.000 0.952 368 E HN 0.558 nan 8.360 nan 0.000 0.366 369 N N 1.599 120.302 118.700 0.005 0.000 2.707 369 N HA 0.191 4.934 4.740 0.005 0.000 0.235 369 N C -0.314 175.202 175.510 0.010 0.000 1.028 369 N CA -0.847 52.209 53.050 0.008 0.000 0.906 369 N CB 1.206 39.695 38.487 0.004 0.000 1.131 369 N HN 0.653 nan 8.380 nan 0.000 0.509 370 Q N 0.610 120.419 119.800 0.015 0.000 2.524 370 Q HA 0.159 4.501 4.340 0.005 0.000 0.246 370 Q C -0.607 175.395 176.000 0.002 0.000 1.063 370 Q CA -0.286 55.519 55.803 0.004 0.000 0.945 370 Q CB 0.241 28.986 28.738 0.012 0.000 1.292 370 Q HN 0.348 nan 8.270 nan 0.000 0.518 371 T N 1.943 116.485 114.554 -0.021 0.000 2.814 371 T HA 0.189 4.541 4.350 0.005 0.000 0.297 371 T C 0.783 175.494 174.700 0.019 0.000 0.956 371 T CA -0.366 61.729 62.100 -0.008 0.000 1.123 371 T CB 0.286 69.122 68.868 -0.053 0.000 0.902 371 T HN 0.502 nan 8.240 nan 0.000 0.528 372 L N 1.793 123.057 121.223 0.068 0.000 2.354 372 L HA 0.468 4.811 4.340 0.005 0.000 0.212 372 L C 1.060 178.046 176.870 0.194 0.000 1.091 372 L CA 0.006 54.916 54.840 0.117 0.000 0.828 372 L CB -0.020 42.105 42.059 0.109 0.000 0.973 372 L HN 0.670 nan 8.230 nan 0.000 0.461 373 A N -0.955 121.979 122.820 0.189 0.000 2.582 373 A HA 0.614 4.936 4.320 0.005 0.000 0.297 373 A C -1.063 176.646 177.584 0.209 0.000 1.059 373 A CA -0.285 51.932 52.037 0.299 0.000 0.705 373 A CB 1.677 20.851 19.000 0.288 0.000 1.279 373 A HN -0.131 nan 8.150 nan 0.000 0.404 374 S N 0.518 116.348 115.700 0.216 0.000 2.564 374 S HA 0.892 5.364 4.470 0.005 0.000 0.274 374 S C -1.378 173.294 174.600 0.120 0.000 1.124 374 S CA -0.357 57.911 58.200 0.113 0.000 0.869 374 S CB 1.256 64.476 63.200 0.034 0.000 1.105 374 S HN 1.577 nan 8.310 nan 0.000 0.472 375 I N 2.409 122.996 120.570 0.028 0.000 2.841 375 I HA 0.498 4.671 4.170 0.005 0.000 0.298 375 I C -0.259 175.796 176.117 -0.104 0.000 1.304 375 I CA -0.379 60.929 61.300 0.014 0.000 1.019 375 I CB 2.341 40.403 38.000 0.103 0.000 1.282 375 I HN 0.790 nan 8.210 nan 0.000 0.432 376 T N 1.947 116.469 114.554 -0.053 0.000 2.899 376 T HA 0.335 4.688 4.350 0.005 0.000 0.284 376 T C 0.850 175.558 174.700 0.014 0.000 1.004 376 T CA -0.174 61.885 62.100 -0.069 0.000 1.043 376 T CB 0.752 69.643 68.868 0.039 0.000 1.013 376 T HN 0.402 nan 8.240 nan 0.000 0.518 377 F N 0.376 120.411 119.950 0.142 0.000 2.171 377 F HA -0.037 4.493 4.527 0.004 0.000 0.300 377 F C 2.883 178.933 175.800 0.417 0.000 1.090 377 F CA 1.459 59.618 58.000 0.265 0.000 1.293 377 F CB -0.575 38.644 39.000 0.365 0.000 1.013 377 F HN 0.737 nan 8.300 nan 0.000 0.486 378 Q N 0.625 120.754 119.800 0.549 0.000 2.050 378 Q HA -0.221 4.122 4.340 0.005 0.000 0.202 378 Q C 1.794 178.010 176.000 0.360 0.000 0.980 378 Q CA 1.794 57.892 55.803 0.491 0.000 0.840 378 Q CB -0.267 28.555 28.738 0.140 0.000 0.898 378 Q HN 0.340 nan 8.270 nan 0.000 0.424 379 N N -0.207 118.607 118.700 0.189 0.000 2.331 379 N HA -0.138 4.604 4.740 0.005 0.000 0.180 379 N C 1.552 177.077 175.510 0.026 0.000 1.019 379 N CA 0.853 53.956 53.050 0.089 0.000 0.881 379 N CB -0.364 38.148 38.487 0.042 0.000 0.972 379 N HN 0.362 nan 8.380 nan 0.000 0.435 380 Y N 0.880 121.133 120.300 -0.078 0.000 2.145 380 Y HA -0.149 4.404 4.550 0.004 0.000 0.286 380 Y C 1.722 177.472 175.900 -0.251 0.000 1.145 380 Y CA 1.457 59.379 58.100 -0.296 0.000 1.148 380 Y CB -0.521 37.712 38.460 -0.378 0.000 0.981 380 Y HN -0.143 nan 8.280 nan 0.000 0.507 381 F N 0.210 120.247 119.950 0.144 0.000 2.293 381 F HA -0.053 4.477 4.527 0.005 0.000 0.300 381 F C 2.251 178.139 175.800 0.147 0.000 1.086 381 F CA 1.235 59.323 58.000 0.148 0.000 1.375 381 F CB -0.504 38.594 39.000 0.164 0.000 1.045 381 F HN -0.060 nan 8.300 nan 0.000 0.516 382 R N 0.050 120.698 120.500 0.246 0.000 2.280 382 R HA -0.001 4.342 4.340 0.005 0.000 0.207 382 R C 1.817 178.133 176.300 0.026 0.000 1.043 382 R CA 0.521 56.721 56.100 0.167 0.000 1.006 382 R CB -0.365 30.012 30.300 0.128 0.000 0.885 382 R HN 0.367 nan 8.270 nan 0.000 0.467 383 L N -0.518 120.624 121.223 -0.135 0.000 2.313 383 L HA -0.020 4.322 4.340 0.005 0.000 0.214 383 L C 0.459 177.192 176.870 -0.227 0.000 1.119 383 L CA 0.325 55.016 54.840 -0.249 0.000 0.809 383 L CB -0.198 41.547 42.059 -0.524 0.000 0.933 383 L HN 0.066 nan 8.230 nan 0.000 0.449 384 Y N 0.776 120.965 120.300 -0.185 0.000 2.497 384 Y HA -0.144 4.409 4.550 0.005 0.000 0.334 384 Y C 1.731 177.601 175.900 -0.051 0.000 1.199 384 Y CA 0.382 58.408 58.100 -0.122 0.000 1.425 384 Y CB 0.462 38.853 38.460 -0.114 0.000 1.291 384 Y HN 0.033 nan 8.280 nan 0.000 0.562 385 E N 2.270 122.534 120.200 0.106 0.000 2.077 385 E HA -0.156 4.197 4.350 0.005 0.000 0.193 385 E C -0.374 176.283 176.600 0.095 0.000 0.989 385 E CA 1.203 57.657 56.400 0.090 0.000 0.800 385 E CB 0.213 29.986 29.700 0.122 0.000 0.746 385 E HN 0.548 nan 8.360 nan 0.000 0.452 386 K N 0.288 120.754 120.400 0.109 0.000 2.378 386 K HA 0.433 4.755 4.320 0.005 0.000 0.252 386 K C -1.439 175.229 176.600 0.114 0.000 0.931 386 K CA -0.842 55.513 56.287 0.114 0.000 0.794 386 K CB 2.288 34.841 32.500 0.088 0.000 1.181 386 K HN -0.025 nan 8.250 nan 0.000 0.425 387 L N 1.689 122.942 121.223 0.050 0.000 2.401 387 L HA 0.814 5.156 4.340 0.005 0.000 0.266 387 L C -1.628 175.180 176.870 -0.104 0.000 0.991 387 L CA -0.186 54.585 54.840 -0.114 0.000 0.818 387 L CB 1.992 44.008 42.059 -0.072 0.000 1.321 387 L HN 0.863 nan 8.230 nan 0.000 0.413 388 A N 2.215 124.884 122.820 -0.252 0.000 2.602 388 A HA 1.008 5.331 4.320 0.005 0.000 0.290 388 A C -0.702 176.692 177.584 -0.316 0.000 1.114 388 A CA 0.004 51.927 52.037 -0.189 0.000 0.683 388 A CB 1.482 20.497 19.000 0.025 0.000 1.281 388 A HN 1.334 nan 8.150 nan 0.000 0.416 392 G N 0.594 109.386 108.800 -0.013 0.000 2.599 392 G HA2 0.433 4.396 3.960 0.005 0.000 0.264 392 G HA3 0.433 4.396 3.960 0.005 0.000 0.264 392 G C 1.072 175.978 174.900 0.010 0.000 1.200 392 G CA 0.276 45.377 45.100 0.002 0.000 0.896 392 G HN 0.821 nan 8.290 nan 0.000 0.536 393 T N 0.774 115.337 114.554 0.016 0.000 3.098 393 T HA 0.024 4.377 4.350 0.005 0.000 0.266 393 T C 2.117 176.832 174.700 0.026 0.000 1.145 393 T CA 0.860 62.972 62.100 0.020 0.000 1.092 393 T CB -0.058 68.824 68.868 0.023 0.000 0.908 393 T HN 0.674 nan 8.240 nan 0.000 0.526 394 A N 2.575 125.411 122.820 0.027 0.000 2.142 394 A HA -0.000 4.322 4.320 0.005 0.000 0.208 394 A C 1.587 179.192 177.584 0.034 0.000 1.344 394 A CA 0.231 52.285 52.037 0.028 0.000 1.045 394 A CB -0.563 18.451 19.000 0.024 0.000 0.784 394 A HN 0.598 nan 8.150 nan 0.000 0.509 395 D N 0.332 120.759 120.400 0.044 0.000 2.003 395 D HA -0.216 4.427 4.640 0.005 0.000 0.251 395 D C 1.448 177.802 176.300 0.090 0.000 1.063 395 D CA 2.503 56.548 54.000 0.075 0.000 0.968 395 D CB -1.199 39.650 40.800 0.082 0.000 1.349 395 D HN 0.940 nan 8.370 nan 0.000 0.514 396 T N -3.220 111.391 114.554 0.095 0.000 8.650 396 T HA -0.282 4.070 4.350 0.005 0.000 0.321 396 T C 0.642 175.486 174.700 0.241 0.000 2.013 396 T CA 1.648 63.812 62.100 0.107 0.000 3.192 396 T CB -2.314 66.593 68.868 0.064 0.000 2.061 396 T HN 0.512 nan 8.240 nan 0.000 1.035 397 E N 0.875 121.202 120.200 0.212 0.000 2.499 397 E HA 0.664 5.017 4.350 0.005 0.000 0.199 397 E C 2.213 178.869 176.600 0.093 0.000 1.016 397 E CA 0.274 56.725 56.400 0.085 0.000 0.933 397 E CB 0.254 29.856 29.700 -0.162 0.000 1.050 397 E HN 0.744 nan 8.360 nan 0.000 0.462 398 A N 1.480 124.484 122.820 0.307 0.000 1.948 398 A HA -0.236 4.087 4.320 0.005 0.000 0.220 398 A C 1.960 179.678 177.584 0.223 0.000 1.177 398 A CA 1.521 53.742 52.037 0.308 0.000 0.636 398 A CB -0.795 18.335 19.000 0.216 0.000 0.815 398 A HN 0.475 nan 8.150 nan 0.000 0.449 399 F N 0.580 120.496 119.950 -0.058 0.000 2.171 399 F HA -0.047 4.483 4.527 0.005 0.000 0.300 399 F C 1.738 177.384 175.800 -0.257 0.000 1.090 399 F CA 1.328 59.261 58.000 -0.113 0.000 1.293 399 F CB -1.146 37.785 39.000 -0.114 0.000 1.013 399 F HN 0.321 nan 8.300 nan 0.000 0.486 400 E N -0.021 119.412 120.200 -1.279 0.000 2.072 400 E HA -0.133 4.220 4.350 0.005 0.000 0.191 400 E C 2.020 178.271 176.600 -0.581 0.000 0.985 400 E CA 1.430 56.998 56.400 -1.388 0.000 0.801 400 E CB -0.462 28.192 29.700 -1.745 0.000 0.750 400 E HN 0.409 nan 8.360 nan 0.000 0.452 401 F N 0.915 120.750 119.950 -0.192 0.000 2.146 401 F HA -0.160 4.369 4.527 0.005 0.000 0.298 401 F C 2.767 178.612 175.800 0.076 0.000 1.096 401 F CA 0.973 58.994 58.000 0.035 0.000 1.275 401 F CB -0.708 38.291 39.000 -0.001 0.000 1.008 401 F HN -0.073 nan 8.300 nan 0.000 0.480 402 S N -0.548 115.280 115.700 0.212 0.000 2.374 402 S HA -0.222 4.251 4.470 0.005 0.000 0.227 402 S C 2.360 177.032 174.600 0.119 0.000 1.037 402 S CA 1.872 60.165 58.200 0.155 0.000 1.024 402 S CB -0.561 62.713 63.200 0.125 0.000 0.861 402 S HN 0.477 nan 8.310 nan 0.000 0.456 403 S N 0.123 115.866 115.700 0.072 0.000 2.439 403 S HA 0.213 4.686 4.470 0.005 0.000 0.224 403 S C 1.737 176.382 174.600 0.076 0.000 1.029 403 S CA 0.278 58.544 58.200 0.111 0.000 0.946 403 S CB -0.440 62.885 63.200 0.209 0.000 0.797 403 S HN 0.571 nan 8.310 nan 0.000 0.504 404 I N -0.894 119.689 120.570 0.022 0.000 2.876 404 I HA 0.090 4.263 4.170 0.005 0.000 0.264 404 I C 1.069 176.961 176.117 -0.376 0.000 1.204 404 I CA 0.960 62.141 61.300 -0.198 0.000 1.485 404 I CB 0.006 37.783 38.000 -0.372 0.000 1.103 404 I HN 0.309 nan 8.210 nan 0.000 0.446 405 Y N -0.856 119.509 120.300 0.107 0.000 2.617 405 Y HA 0.182 4.735 4.550 0.004 0.000 0.280 405 Y C 0.332 176.288 175.900 0.093 0.000 1.005 405 Y CA -0.957 57.211 58.100 0.114 0.000 1.194 405 Y CB 0.555 39.105 38.460 0.151 0.000 1.405 405 Y HN -0.189 nan 8.280 nan 0.000 0.580 406 K N 1.053 121.587 120.400 0.223 0.000 3.156 406 K HA -0.175 4.148 4.320 0.005 0.000 0.266 406 K C -0.857 175.835 176.600 0.154 0.000 0.966 406 K CA 0.570 56.953 56.287 0.159 0.000 0.719 406 K CB -1.865 30.703 32.500 0.113 0.000 1.333 406 K HN 0.388 nan 8.250 nan 0.000 0.468 407 L N 1.397 122.734 121.223 0.190 0.000 2.272 407 L HA 0.198 4.541 4.340 0.005 0.000 0.289 407 L C 0.801 177.725 176.870 0.090 0.000 1.032 407 L CA -0.713 54.189 54.840 0.102 0.000 0.810 407 L CB 0.938 43.026 42.059 0.048 0.000 1.205 407 L HN 0.025 nan 8.230 nan 0.000 0.422 408 D N 1.172 121.599 120.400 0.045 0.000 2.363 408 D HA 0.274 4.917 4.640 0.005 0.000 0.240 408 D C 0.277 176.568 176.300 -0.014 0.000 1.236 408 D CA 0.245 54.265 54.000 0.033 0.000 0.927 408 D CB 1.103 41.918 40.800 0.024 0.000 1.150 408 D HN 0.491 nan 8.370 nan 0.000 0.458 409 T N -2.576 111.976 114.554 -0.003 0.000 2.921 409 T HA 0.590 4.943 4.350 0.005 0.000 0.297 409 T C -1.050 173.643 174.700 -0.013 0.000 1.013 409 T CA -0.811 61.266 62.100 -0.037 0.000 0.990 409 T CB 0.933 69.780 68.868 -0.034 0.000 1.023 409 T HN 0.015 nan 8.240 nan 0.000 0.447 410 V N 3.898 123.797 119.914 -0.025 0.000 2.487 410 V HA 0.467 4.590 4.120 0.005 0.000 0.298 410 V C -0.018 176.073 176.094 -0.006 0.000 1.028 410 V CA -0.895 61.401 62.300 -0.006 0.000 0.860 410 V CB 1.880 33.703 31.823 -0.001 0.000 0.991 410 V HN 0.914 nan 8.190 nan 0.000 0.427 411 V N 6.218 126.136 119.914 0.006 0.000 2.389 411 V HA 0.226 4.349 4.120 0.005 0.000 0.264 411 V C 0.210 176.313 176.094 0.015 0.000 1.049 411 V CA -0.201 62.105 62.300 0.010 0.000 0.932 411 V CB 1.360 33.192 31.823 0.015 0.000 1.011 411 V HN 0.628 nan 8.190 nan 0.000 0.475 412 V N 8.687 128.611 119.914 0.016 0.000 2.509 412 V HA 0.322 4.444 4.120 0.005 0.000 0.284 412 V C -1.713 174.397 176.094 0.028 0.000 1.047 412 V CA -1.545 60.771 62.300 0.027 0.000 0.952 412 V CB 1.354 33.198 31.823 0.034 0.000 0.988 412 V HN 0.745 nan 8.190 nan 0.000 0.469 413 P HA 0.186 nan 4.420 nan 0.000 0.270 413 P C -0.075 177.241 177.300 0.026 0.000 1.223 413 P CA -0.184 62.930 63.100 0.024 0.000 0.785 413 P CB 0.139 31.853 31.700 0.022 0.000 0.923 414 T N -1.885 112.679 114.554 0.017 0.000 2.899 414 T HA 0.093 4.446 4.350 0.005 0.000 0.295 414 T C 1.183 175.875 174.700 -0.012 0.000 1.033 414 T CA -0.414 61.692 62.100 0.010 0.000 1.084 414 T CB 0.407 69.279 68.868 0.006 0.000 0.979 414 T HN 0.340 nan 8.240 nan 0.000 0.532 415 N N 1.429 120.105 118.700 -0.040 0.000 2.120 415 N HA -0.130 4.613 4.740 0.005 0.000 0.188 415 N C 0.391 175.828 175.510 -0.122 0.000 1.024 415 N CA 1.094 54.073 53.050 -0.118 0.000 0.852 415 N CB 0.022 38.334 38.487 -0.292 0.000 1.003 415 N HN 0.501 nan 8.380 nan 0.000 0.424 416 R N 0.288 120.729 120.500 -0.099 0.000 2.720 416 R HA 0.423 4.766 4.340 0.005 0.000 0.272 416 R C -2.177 174.105 176.300 -0.030 0.000 0.991 416 R CA -1.890 54.171 56.100 -0.064 0.000 1.010 416 R CB -0.302 29.966 30.300 -0.054 0.000 1.141 416 R HN 0.109 nan 8.270 nan 0.000 0.494 420 R N 3.316 123.831 120.500 0.025 0.000 2.583 420 R HA 0.176 4.519 4.340 0.005 0.000 0.274 420 R C -0.494 175.829 176.300 0.038 0.000 0.998 420 R CA 0.537 56.658 56.100 0.034 0.000 1.081 420 R CB 0.599 30.923 30.300 0.040 0.000 0.940 420 R HN 0.258 nan 8.270 nan 0.000 0.413 421 K N 3.121 123.549 120.400 0.046 0.000 2.334 421 K HA 0.153 4.476 4.320 0.005 0.000 0.265 421 K C -1.277 175.362 176.600 0.066 0.000 1.039 421 K CA -0.506 55.809 56.287 0.048 0.000 0.920 421 K CB 1.238 33.762 32.500 0.040 0.000 1.160 421 K HN 0.431 nan 8.250 nan 0.000 0.451 422 D N 4.268 124.706 120.400 0.063 0.000 2.443 422 D HA 0.177 4.820 4.640 0.005 0.000 0.221 422 D C 0.087 176.430 176.300 0.071 0.000 1.097 422 D CA -0.200 53.849 54.000 0.082 0.000 0.865 422 D CB 0.830 41.682 40.800 0.086 0.000 1.034 422 D HN 0.244 nan 8.370 nan 0.000 0.511 423 L N 2.569 123.839 121.223 0.077 0.000 2.468 423 L HA 0.363 4.706 4.340 0.005 0.000 0.254 423 L C -1.899 174.991 176.870 0.034 0.000 1.171 423 L CA -1.856 53.013 54.840 0.049 0.000 0.809 423 L CB 0.093 42.185 42.059 0.054 0.000 1.155 423 L HN 0.033 nan 8.230 nan 0.000 0.473 424 P HA 0.021 nan 4.420 nan 0.000 0.268 424 P C -1.204 176.071 177.300 -0.042 0.000 1.204 424 P CA -0.212 62.873 63.100 -0.024 0.000 0.768 424 P CB 0.271 31.943 31.700 -0.046 0.000 0.842 425 D N 2.049 122.429 120.400 -0.033 0.000 2.506 425 D HA 0.053 4.696 4.640 0.005 0.000 0.234 425 D C 0.140 176.372 176.300 -0.113 0.000 1.143 425 D CA 0.746 54.717 54.000 -0.048 0.000 0.871 425 D CB 0.169 40.949 40.800 -0.033 0.000 1.190 425 D HN 0.185 nan 8.370 nan 0.000 0.459 426 L N 1.063 122.194 121.223 -0.154 0.000 2.342 426 L HA 0.671 5.013 4.340 0.005 0.000 0.271 426 L C -0.526 176.297 176.870 -0.078 0.000 1.008 426 L CA -0.998 53.742 54.840 -0.166 0.000 0.818 426 L CB 1.920 43.887 42.059 -0.154 0.000 1.296 426 L HN 0.011 nan 8.230 nan 0.000 0.427 427 V N 1.654 121.418 119.914 -0.251 0.000 2.668 427 V HA 0.493 4.616 4.120 0.005 0.000 0.304 427 V C -1.237 174.636 176.094 -0.369 0.000 1.071 427 V CA -0.677 61.541 62.300 -0.137 0.000 0.894 427 V CB 1.733 33.477 31.823 -0.131 0.000 1.008 427 V HN 0.518 nan 8.190 nan 0.000 0.425 431 E N 0.891 121.110 120.200 0.033 0.000 2.070 431 E HA -0.202 4.151 4.350 0.005 0.000 0.197 431 E C 2.437 179.015 176.600 -0.037 0.000 1.004 431 E CA 1.909 58.309 56.400 -0.000 0.000 0.805 431 E CB -0.692 29.004 29.700 -0.006 0.000 0.744 431 E HN 0.837 nan 8.360 nan 0.000 0.451 432 A N 1.142 123.948 122.820 -0.024 0.000 1.978 432 A HA -0.231 4.092 4.320 0.005 0.000 0.220 432 A C 2.034 179.578 177.584 -0.066 0.000 1.170 432 A CA 1.721 53.734 52.037 -0.041 0.000 0.636 432 A CB -0.402 18.586 19.000 -0.019 0.000 0.810 432 A HN 0.222 nan 8.150 nan 0.000 0.448 433 E N -0.729 119.443 120.200 -0.047 0.000 2.076 433 E HA -0.124 4.229 4.350 0.005 0.000 0.190 433 E C 2.065 178.492 176.600 -0.289 0.000 0.979 433 E CA 1.011 57.372 56.400 -0.065 0.000 0.807 433 E CB -0.078 29.666 29.700 0.073 0.000 0.761 433 E HN 0.648 nan 8.360 nan 0.000 0.454 434 K N 0.840 121.055 120.400 -0.308 0.000 2.001 434 K HA -0.236 4.086 4.320 0.005 0.000 0.214 434 K C 1.986 178.321 176.600 -0.442 0.000 1.050 434 K CA 1.582 57.553 56.287 -0.527 0.000 0.934 434 K CB -0.153 32.262 32.500 -0.141 0.000 0.718 434 K HN -0.022 nan 8.250 nan 0.000 0.443 435 I N 1.438 121.846 120.570 -0.270 0.000 2.179 435 I HA -0.262 3.911 4.170 0.005 0.000 0.242 435 I C 2.471 178.451 176.117 -0.229 0.000 1.088 435 I CA 1.328 62.483 61.300 -0.241 0.000 1.357 435 I CB -0.407 37.501 38.000 -0.155 0.000 1.051 435 I HN 0.248 nan 8.210 nan 0.000 0.409 436 Q N 0.103 119.792 119.800 -0.186 0.000 2.197 436 Q HA -0.153 4.189 4.340 0.005 0.000 0.207 436 Q C 2.242 178.148 176.000 -0.158 0.000 0.984 436 Q CA 2.010 57.729 55.803 -0.141 0.000 0.869 436 Q CB -0.615 28.068 28.738 -0.090 0.000 0.906 436 Q HN 0.611 nan 8.270 nan 0.000 0.426 437 A N -0.809 121.866 122.820 -0.242 0.000 1.997 437 A HA 0.060 4.383 4.320 0.005 0.000 0.212 437 A C 2.020 179.523 177.584 -0.134 0.000 1.178 437 A CA 0.204 52.156 52.037 -0.142 0.000 0.698 437 A CB -0.289 18.636 19.000 -0.126 0.000 0.842 437 A HN 0.314 nan 8.150 nan 0.000 0.458 438 I N -0.375 119.966 120.570 -0.383 0.000 2.113 438 I HA -0.324 3.849 4.170 0.005 0.000 0.242 438 I C 2.214 178.191 176.117 -0.233 0.000 1.064 438 I CA 1.598 62.597 61.300 -0.501 0.000 1.320 438 I CB -0.328 37.289 38.000 -0.638 0.000 1.028 438 I HN 0.251 nan 8.210 nan 0.000 0.406 439 I N 0.441 120.900 120.570 -0.186 0.000 2.394 439 I HA -0.238 3.935 4.170 0.005 0.000 0.251 439 I C 2.431 178.502 176.117 -0.076 0.000 1.136 439 I CA 1.362 62.588 61.300 -0.123 0.000 1.425 439 I CB -0.473 37.463 38.000 -0.107 0.000 1.079 439 I HN 0.145 nan 8.210 nan 0.000 0.425 440 E N 0.330 120.491 120.200 -0.064 0.000 2.077 440 E HA -0.252 4.101 4.350 0.005 0.000 0.193 440 E C 1.833 178.427 176.600 -0.011 0.000 0.989 440 E CA 1.343 57.727 56.400 -0.026 0.000 0.800 440 E CB -0.334 29.363 29.700 -0.006 0.000 0.746 440 E HN 0.474 nan 8.360 nan 0.000 0.452 441 D N -0.251 120.149 120.400 0.001 0.000 2.097 441 D HA -0.089 4.554 4.640 0.005 0.000 0.197 441 D C 2.085 178.386 176.300 0.002 0.000 0.984 441 D CA 1.096 55.113 54.000 0.030 0.000 0.826 441 D CB -0.204 40.673 40.800 0.128 0.000 0.973 441 D HN 0.198 nan 8.370 nan 0.000 0.460 442 I N 0.270 120.839 120.570 -0.001 0.000 2.163 442 I HA -0.256 3.917 4.170 0.005 0.000 0.243 442 I C 2.609 178.721 176.117 -0.009 0.000 1.085 442 I CA 1.048 62.348 61.300 -0.000 0.000 1.347 442 I CB -0.459 37.525 38.000 -0.027 0.000 1.044 442 I HN 0.094 nan 8.210 nan 0.000 0.408 443 K N 1.222 121.611 120.400 -0.018 0.000 2.059 443 K HA -0.256 4.067 4.320 0.005 0.000 0.212 443 K C 1.965 178.557 176.600 -0.013 0.000 1.050 443 K CA 2.006 58.285 56.287 -0.013 0.000 0.927 443 K CB -0.054 32.436 32.500 -0.016 0.000 0.714 443 K HN 0.399 nan 8.250 nan 0.000 0.447 444 E N -0.402 119.787 120.200 -0.018 0.000 2.107 444 E HA -0.141 4.212 4.350 0.005 0.000 0.191 444 E C 2.260 178.839 176.600 -0.034 0.000 0.982 444 E CA 0.852 57.237 56.400 -0.024 0.000 0.809 444 E CB 0.077 29.762 29.700 -0.025 0.000 0.756 444 E HN 0.286 nan 8.360 nan 0.000 0.459 445 R N 0.282 120.756 120.500 -0.042 0.000 2.062 445 R HA -0.062 4.281 4.340 0.005 0.000 0.229 445 R C 2.626 178.912 176.300 -0.024 0.000 1.128 445 R CA 1.753 57.822 56.100 -0.052 0.000 0.960 445 R CB -0.519 29.734 30.300 -0.078 0.000 0.855 445 R HN 0.238 nan 8.270 nan 0.000 0.432 446 T N -1.238 113.313 114.554 -0.005 0.000 3.007 446 T HA 0.029 4.382 4.350 0.005 0.000 0.270 446 T C 1.895 176.597 174.700 0.003 0.000 1.107 446 T CA 0.970 63.075 62.100 0.010 0.000 1.118 446 T CB 0.023 68.906 68.868 0.025 0.000 0.889 446 T HN 0.219 nan 8.240 nan 0.000 0.506 447 A N 1.928 124.744 122.820 -0.006 0.000 2.021 447 A HA 0.180 4.503 4.320 0.005 0.000 0.216 447 A C 2.118 179.692 177.584 -0.017 0.000 1.163 447 A CA 0.376 52.408 52.037 -0.009 0.000 0.676 447 A CB -0.229 18.765 19.000 -0.009 0.000 0.818 447 A HN 0.532 nan 8.150 nan 0.000 0.453 448 K N -0.739 119.646 120.400 -0.025 0.000 2.458 448 K HA 0.254 4.577 4.320 0.005 0.000 0.194 448 K C 0.963 177.540 176.600 -0.038 0.000 1.024 448 K CA 0.428 56.695 56.287 -0.033 0.000 1.108 448 K CB 0.008 32.484 32.500 -0.041 0.000 0.846 448 K HN 0.573 nan 8.250 nan 0.000 0.518 449 G N 1.965 110.747 108.800 -0.031 0.000 2.176 449 G HA2 -0.338 3.624 3.960 0.005 0.000 0.253 449 G HA3 -0.338 3.624 3.960 0.005 0.000 0.253 449 G C -0.052 174.824 174.900 -0.039 0.000 0.979 449 G CA 0.105 45.182 45.100 -0.039 0.000 0.641 449 G HN 0.452 nan 8.290 nan 0.000 0.530 450 Q N 1.387 121.170 119.800 -0.029 0.000 2.286 450 Q HA 0.527 4.870 4.340 0.005 0.000 0.257 450 Q C -2.206 173.801 176.000 0.013 0.000 0.941 450 Q CA -1.966 53.825 55.803 -0.020 0.000 0.912 450 Q CB 1.659 30.381 28.738 -0.027 0.000 1.192 450 Q HN 0.292 nan 8.270 nan 0.000 0.410 451 P HA 0.156 nan 4.420 nan 0.000 0.281 451 P C -1.202 176.144 177.300 0.077 0.000 1.249 451 P CA -0.304 62.831 63.100 0.059 0.000 0.810 451 P CB 1.299 33.038 31.700 0.064 0.000 1.008 452 V N 3.042 123.003 119.914 0.078 0.000 2.735 452 V HA 0.405 4.528 4.120 0.005 0.000 0.310 452 V C -0.284 175.832 176.094 0.037 0.000 1.061 452 V CA -0.755 61.592 62.300 0.078 0.000 0.913 452 V CB 1.955 33.832 31.823 0.090 0.000 1.005 452 V HN 0.403 nan 8.190 nan 0.000 0.428 453 L N 5.408 126.628 121.223 -0.005 0.000 2.343 453 L HA 0.695 5.038 4.340 0.005 0.000 0.278 453 L C -0.671 176.160 176.870 -0.065 0.000 0.996 453 L CA -0.109 54.721 54.840 -0.016 0.000 0.831 453 L CB 1.805 43.858 42.059 -0.011 0.000 1.232 453 L HN 0.453 nan 8.230 nan 0.000 0.413 454 V N 4.915 124.799 119.914 -0.050 0.000 2.348 454 V HA 0.613 4.735 4.120 0.005 0.000 0.270 454 V C 0.882 176.950 176.094 -0.044 0.000 1.037 454 V CA -0.279 61.976 62.300 -0.075 0.000 0.872 454 V CB 0.837 32.610 31.823 -0.083 0.000 1.002 454 V HN 0.905 nan 8.190 nan 0.000 0.464 455 G N 3.369 112.142 108.800 -0.046 0.000 2.325 455 G HA2 0.571 4.534 3.960 0.005 0.000 0.298 455 G HA3 0.571 4.534 3.960 0.005 0.000 0.298 455 G C 0.116 175.037 174.900 0.035 0.000 1.134 455 G CA -0.040 45.070 45.100 0.017 0.000 0.876 455 G HN 0.764 nan 8.290 nan 0.000 0.452 456 T N -0.095 114.488 114.554 0.049 0.000 2.938 456 T HA 0.516 4.869 4.350 0.005 0.000 0.285 456 T C 1.382 176.117 174.700 0.060 0.000 1.028 456 T CA -0.663 61.457 62.100 0.033 0.000 1.005 456 T CB 1.583 70.455 68.868 0.008 0.000 1.157 456 T HN 0.631 nan 8.240 nan 0.000 0.550 457 I N -1.064 119.507 120.570 0.001 0.000 3.783 457 I HA 0.343 4.516 4.170 0.005 0.000 0.310 457 I C 0.574 176.702 176.117 0.019 0.000 1.274 457 I CA -0.472 60.812 61.300 -0.025 0.000 1.294 457 I CB -0.059 37.839 38.000 -0.169 0.000 1.051 457 I HN 0.699 nan 8.210 nan 0.000 0.435 458 S N -0.434 115.276 115.700 0.017 0.000 2.625 458 S HA 0.492 4.965 4.470 0.005 0.000 0.271 458 S C 0.275 174.889 174.600 0.023 0.000 1.161 458 S CA -0.766 57.448 58.200 0.024 0.000 0.820 458 S CB 1.520 64.728 63.200 0.013 0.000 1.137 458 S HN 0.079 nan 8.310 nan 0.000 0.470 459 I N 1.274 121.859 120.570 0.025 0.000 2.286 459 I HA -0.130 4.043 4.170 0.005 0.000 0.248 459 I C 2.168 178.296 176.117 0.018 0.000 1.115 459 I CA 1.530 62.846 61.300 0.026 0.000 1.392 459 I CB -0.290 37.726 38.000 0.026 0.000 1.065 459 I HN 0.749 nan 8.210 nan 0.000 0.418 460 E N 0.264 120.472 120.200 0.012 0.000 2.107 460 E HA -0.175 4.178 4.350 0.005 0.000 0.191 460 E C 1.986 178.586 176.600 -0.001 0.000 0.982 460 E CA 0.667 57.071 56.400 0.007 0.000 0.809 460 E CB -0.100 29.604 29.700 0.006 0.000 0.756 460 E HN 0.100 nan 8.360 nan 0.000 0.459 461 K N 0.493 120.891 120.400 -0.003 0.000 2.097 461 K HA 0.040 4.363 4.320 0.005 0.000 0.206 461 K C 2.150 178.739 176.600 -0.019 0.000 1.049 461 K CA 0.997 57.276 56.287 -0.014 0.000 0.933 461 K CB -0.466 32.026 32.500 -0.013 0.000 0.717 461 K HN -0.013 nan 8.250 nan 0.000 0.442 462 S N 0.780 116.477 115.700 -0.005 0.000 2.356 462 S HA -0.126 4.347 4.470 0.005 0.000 0.223 462 S C 1.686 176.284 174.600 -0.003 0.000 1.032 462 S CA 1.296 59.495 58.200 -0.002 0.000 1.005 462 S CB -0.192 63.020 63.200 0.020 0.000 0.867 462 S HN 0.382 nan 8.310 nan 0.000 0.449 463 E N 0.535 120.740 120.200 0.008 0.000 2.150 463 E HA -0.116 4.236 4.350 0.005 0.000 0.193 463 E C 2.071 178.670 176.600 -0.003 0.000 0.985 463 E CA 0.650 57.059 56.400 0.015 0.000 0.814 463 E CB -0.227 29.484 29.700 0.018 0.000 0.752 463 E HN 0.247 nan 8.360 nan 0.000 0.466 464 L N 0.782 121.995 121.223 -0.016 0.000 1.961 464 L HA -0.162 4.181 4.340 0.005 0.000 0.210 464 L C 2.394 179.230 176.870 -0.057 0.000 1.072 464 L CA 1.472 56.293 54.840 -0.031 0.000 0.749 464 L CB -0.742 41.297 42.059 -0.032 0.000 0.889 464 L HN -0.007 nan 8.230 nan 0.000 0.432 465 V N -1.311 118.556 119.914 -0.077 0.000 2.332 465 V HA -0.298 3.825 4.120 0.005 0.000 0.248 465 V C 2.734 178.729 176.094 -0.165 0.000 1.055 465 V CA 2.137 64.363 62.300 -0.124 0.000 1.038 465 V CB -0.207 31.533 31.823 -0.139 0.000 0.651 465 V HN 0.767 nan 8.190 nan 0.000 0.450 466 S N 0.640 116.260 115.700 -0.134 0.000 2.359 466 S HA -0.272 4.201 4.470 0.005 0.000 0.222 466 S C 1.832 176.407 174.600 -0.042 0.000 1.038 466 S CA 2.389 60.511 58.200 -0.131 0.000 1.051 466 S CB -0.650 62.594 63.200 0.073 0.000 0.944 466 S HN 0.778 nan 8.310 nan 0.000 0.433 467 N N 1.460 120.160 118.700 -0.000 0.000 2.149 467 N HA -0.057 4.685 4.740 0.005 0.000 0.188 467 N C 1.701 177.206 175.510 -0.008 0.000 1.019 467 N CA 1.210 54.271 53.050 0.017 0.000 0.857 467 N CB -0.532 37.961 38.487 0.010 0.000 0.997 467 N HN 0.493 nan 8.380 nan 0.000 0.426 468 E N 0.553 120.725 120.200 -0.048 0.000 2.150 468 E HA -0.055 4.298 4.350 0.005 0.000 0.193 468 E C 2.136 178.697 176.600 -0.065 0.000 0.985 468 E CA 0.317 56.682 56.400 -0.058 0.000 0.814 468 E CB -0.185 29.466 29.700 -0.081 0.000 0.752 468 E HN 0.403 nan 8.360 nan 0.000 0.466 469 L N 0.584 121.738 121.223 -0.114 0.000 2.017 469 L HA -0.174 4.169 4.340 0.005 0.000 0.208 469 L C 2.527 179.413 176.870 0.026 0.000 1.073 469 L CA 1.536 56.305 54.840 -0.117 0.000 0.745 469 L CB -0.719 41.102 42.059 -0.398 0.000 0.894 469 L HN 0.107 nan 8.230 nan 0.000 0.432 470 T N -0.673 113.950 114.554 0.114 0.000 2.720 470 T HA -0.272 4.081 4.350 0.005 0.000 0.268 470 T C 1.892 176.620 174.700 0.046 0.000 1.037 470 T CA 1.497 63.668 62.100 0.119 0.000 1.144 470 T CB -0.183 68.760 68.868 0.125 0.000 0.864 470 T HN 0.252 nan 8.240 nan 0.000 0.444 471 K N 1.161 121.573 120.400 0.020 0.000 2.148 471 K HA 0.046 4.369 4.320 0.005 0.000 0.204 471 K C 2.136 178.737 176.600 0.002 0.000 1.050 471 K CA 1.211 57.501 56.287 0.005 0.000 0.942 471 K CB -0.205 32.291 32.500 -0.007 0.000 0.724 471 K HN 0.333 nan 8.250 nan 0.000 0.446 472 A N -0.080 122.739 122.820 -0.002 0.000 2.275 472 A HA 0.237 4.560 4.320 0.005 0.000 0.212 472 A C 1.150 178.738 177.584 0.008 0.000 1.201 472 A CA 0.765 52.799 52.037 -0.005 0.000 0.843 472 A CB -0.053 18.936 19.000 -0.020 0.000 0.873 472 A HN 0.520 nan 8.150 nan 0.000 0.492 473 G N -0.811 108.003 108.800 0.023 0.000 2.141 473 G HA2 -0.200 3.763 3.960 0.005 0.000 0.231 473 G HA3 -0.200 3.763 3.960 0.005 0.000 0.231 473 G C 0.002 174.928 174.900 0.044 0.000 0.984 473 G CA 0.145 45.262 45.100 0.028 0.000 0.660 473 G HN 0.450 nan 8.290 nan 0.000 0.525 474 I N 1.825 122.434 120.570 0.065 0.000 2.301 474 I HA 0.255 4.427 4.170 0.005 0.000 0.292 474 I C 0.876 177.125 176.117 0.220 0.000 1.046 474 I CA -0.497 60.859 61.300 0.093 0.000 1.282 474 I CB 0.826 38.853 38.000 0.045 0.000 1.409 474 I HN -0.022 nan 8.210 nan 0.000 0.484 475 K N 6.868 127.348 120.400 0.133 0.000 2.355 475 K HA 0.297 4.620 4.320 0.005 0.000 0.270 475 K C -0.191 176.491 176.600 0.138 0.000 1.003 475 K CA -0.114 56.219 56.287 0.076 0.000 0.957 475 K CB 0.500 33.003 32.500 0.005 0.000 0.939 475 K HN 0.711 nan 8.250 nan 0.000 0.482 476 H N -0.466 118.601 119.070 -0.005 0.000 2.848 476 H HA 0.300 4.859 4.556 0.005 0.000 0.264 476 H C -1.444 173.879 175.328 -0.007 0.000 1.474 476 H CA -1.079 54.968 56.048 -0.002 0.000 1.149 476 H CB 0.879 30.639 29.762 -0.004 0.000 1.843 476 H HN 0.646 nan 8.280 nan 0.000 0.583 477 N N -0.523 118.220 118.700 0.071 0.000 2.405 477 N HA 0.448 5.191 4.740 0.005 0.000 0.274 477 N C -1.502 174.091 175.510 0.138 0.000 1.170 477 N CA -0.638 52.416 53.050 0.006 0.000 0.848 477 N CB 3.475 41.959 38.487 -0.004 0.000 1.629 477 N HN 0.380 nan 8.380 nan 0.000 0.481 478 V N 1.996 121.975 119.914 0.109 0.000 2.539 478 V HA 0.380 4.503 4.120 0.005 0.000 0.292 478 V C -0.135 176.007 176.094 0.080 0.000 1.045 478 V CA -0.726 61.638 62.300 0.107 0.000 0.945 478 V CB 1.309 33.193 31.823 0.102 0.000 0.993 478 V HN 0.476 nan 8.190 nan 0.000 0.464 479 L N 4.682 125.953 121.223 0.079 0.000 2.325 479 L HA 0.333 4.676 4.340 0.005 0.000 0.284 479 L C 0.382 177.311 176.870 0.099 0.000 1.089 479 L CA -0.012 54.881 54.840 0.088 0.000 0.836 479 L CB 0.253 42.361 42.059 0.081 0.000 1.184 479 L HN 0.592 nan 8.230 nan 0.000 0.444 480 N N 2.880 121.656 118.700 0.128 0.000 2.485 480 N HA 0.227 4.970 4.740 0.005 0.000 0.243 480 N C 0.789 176.364 175.510 0.108 0.000 0.987 480 N CA -0.087 53.050 53.050 0.144 0.000 0.940 480 N CB 1.844 40.473 38.487 0.238 0.000 1.122 480 N HN 0.659 nan 8.380 nan 0.000 0.509 481 A N 4.345 127.199 122.820 0.056 0.000 2.104 481 A HA -0.215 4.108 4.320 0.005 0.000 0.223 481 A C 1.763 179.178 177.584 -0.282 0.000 1.164 481 A CA 1.545 53.590 52.037 0.014 0.000 0.659 481 A CB -0.254 18.776 19.000 0.050 0.000 0.808 481 A HN 0.793 nan 8.150 nan 0.000 0.465 482 K N -1.984 118.215 120.400 -0.335 0.000 2.366 482 K HA 0.057 4.380 4.320 0.005 0.000 0.198 482 K C -0.726 175.300 176.600 -0.957 0.000 1.044 482 K CA 0.508 56.383 56.287 -0.687 0.000 0.973 482 K CB 0.071 32.088 32.500 -0.805 0.000 0.767 482 K HN 0.504 nan 8.250 nan 0.000 0.475 483 F N 0.048 119.868 119.950 -0.217 0.000 2.660 483 F HA 0.272 4.802 4.527 0.005 0.000 0.352 483 F C 0.662 176.450 175.800 -0.021 0.000 1.257 483 F CA -0.790 57.141 58.000 -0.115 0.000 1.200 483 F CB 0.357 39.323 39.000 -0.057 0.000 1.473 483 F HN -0.018 nan 8.300 nan 0.000 0.561 484 H N 0.489 119.615 119.070 0.093 0.000 2.423 484 H HA -0.104 4.454 4.556 0.005 0.000 0.297 484 H C 2.163 177.524 175.328 0.054 0.000 1.075 484 H CA 0.985 57.062 56.048 0.048 0.000 1.342 484 H CB 0.527 30.293 29.762 0.006 0.000 1.395 484 H HN 0.634 nan 8.280 nan 0.000 0.530 485 A N 1.270 124.206 122.820 0.194 0.000 1.898 485 A HA -0.201 4.122 4.320 0.005 0.000 0.216 485 A C 2.021 179.660 177.584 0.091 0.000 1.181 485 A CA 1.705 53.812 52.037 0.116 0.000 0.620 485 A CB -0.227 18.833 19.000 0.100 0.000 0.819 485 A HN 0.371 nan 8.150 nan 0.000 0.442 486 N N 0.140 118.907 118.700 0.112 0.000 2.142 486 N HA -0.107 4.636 4.740 0.005 0.000 0.186 486 N C 1.607 177.155 175.510 0.064 0.000 1.023 486 N CA 1.427 54.513 53.050 0.059 0.000 0.852 486 N CB -0.443 38.064 38.487 0.033 0.000 0.998 486 N HN 0.640 nan 8.380 nan 0.000 0.424 487 E N 0.577 120.841 120.200 0.107 0.000 2.085 487 E HA -0.135 4.218 4.350 0.005 0.000 0.194 487 E C 1.845 178.485 176.600 0.066 0.000 0.994 487 E CA 1.187 57.646 56.400 0.099 0.000 0.801 487 E CB -0.092 29.694 29.700 0.145 0.000 0.743 487 E HN 0.379 nan 8.360 nan 0.000 0.453 488 A N 1.462 124.318 122.820 0.059 0.000 1.873 488 A HA -0.067 4.256 4.320 0.005 0.000 0.215 488 A C 2.410 180.009 177.584 0.024 0.000 1.186 488 A CA 1.613 53.669 52.037 0.031 0.000 0.616 488 A CB -0.639 18.374 19.000 0.022 0.000 0.823 488 A HN 0.290 nan 8.150 nan 0.000 0.442 489 A N -0.267 122.567 122.820 0.022 0.000 1.978 489 A HA -0.096 4.227 4.320 0.005 0.000 0.220 489 A C 2.101 179.690 177.584 0.009 0.000 1.170 489 A CA 1.581 53.624 52.037 0.009 0.000 0.636 489 A CB -0.610 18.389 19.000 -0.001 0.000 0.810 489 A HN 0.505 nan 8.150 nan 0.000 0.448 490 I N -0.898 119.683 120.570 0.018 0.000 2.202 490 I HA -0.192 3.981 4.170 0.005 0.000 0.242 490 I C 2.344 178.481 176.117 0.034 0.000 1.091 490 I CA 1.020 62.331 61.300 0.020 0.000 1.368 490 I CB -0.236 37.780 38.000 0.027 0.000 1.058 490 I HN 0.147 nan 8.210 nan 0.000 0.410 491 V N 0.931 120.869 119.914 0.040 0.000 2.407 491 V HA -0.314 3.808 4.120 0.005 0.000 0.248 491 V C 2.656 178.783 176.094 0.056 0.000 1.055 491 V CA 1.920 64.249 62.300 0.047 0.000 1.049 491 V CB -0.927 30.919 31.823 0.039 0.000 0.662 491 V HN 0.503 nan 8.190 nan 0.000 0.455 492 A N -0.908 121.940 122.820 0.047 0.000 1.883 492 A HA -0.268 4.055 4.320 0.005 0.000 0.217 492 A C 2.030 179.671 177.584 0.095 0.000 1.186 492 A CA 1.729 53.800 52.037 0.058 0.000 0.624 492 A CB -0.399 18.620 19.000 0.032 0.000 0.822 492 A HN 0.613 nan 8.150 nan 0.000 0.444 493 Q N -0.867 118.978 119.800 0.075 0.000 2.280 493 Q HA 0.322 4.665 4.340 0.005 0.000 0.202 493 Q C 1.643 177.735 176.000 0.153 0.000 0.903 493 Q CA 0.289 56.157 55.803 0.108 0.000 0.948 493 Q CB 0.032 28.747 28.738 -0.039 0.000 1.058 493 Q HN 0.670 nan 8.270 nan 0.000 0.493 494 A N 0.210 123.105 122.820 0.126 0.000 2.119 494 A HA 0.019 4.341 4.320 0.005 0.000 0.217 494 A C 1.845 179.509 177.584 0.134 0.000 1.153 494 A CA 1.180 53.286 52.037 0.115 0.000 0.692 494 A CB -0.114 18.936 19.000 0.084 0.000 0.799 494 A HN 0.410 nan 8.150 nan 0.000 0.458 495 G N -2.386 106.512 108.800 0.164 0.000 3.189 495 G HA2 0.256 4.218 3.960 0.005 0.000 0.225 495 G HA3 0.256 4.218 3.960 0.005 0.000 0.225 495 G C 0.192 175.183 174.900 0.151 0.000 1.159 495 G CA -0.323 44.863 45.100 0.143 0.000 0.763 495 G HN 0.422 nan 8.290 nan 0.000 0.549 496 Y N 1.807 122.150 120.300 0.071 0.000 2.497 496 Y HA 0.290 4.843 4.550 0.005 0.000 0.334 496 Y C -1.827 174.090 175.900 0.029 0.000 1.199 496 Y CA -1.961 56.175 58.100 0.060 0.000 1.425 496 Y CB 0.852 39.353 38.460 0.069 0.000 1.291 496 Y HN -0.036 nan 8.280 nan 0.000 0.562 497 P HA -0.036 nan 4.420 nan 0.000 0.261 497 P C -0.270 177.075 177.300 0.075 0.000 1.165 497 P CA 1.948 64.978 63.100 -0.117 0.000 0.759 497 P CB 0.312 31.875 31.700 -0.229 0.000 0.772 498 A N 2.025 124.876 122.820 0.053 0.000 2.899 498 A HA -0.124 4.198 4.320 0.005 0.000 0.257 498 A C 0.834 178.480 177.584 0.104 0.000 1.335 498 A CA 0.810 52.887 52.037 0.067 0.000 0.924 498 A CB -2.249 16.787 19.000 0.060 0.000 1.105 498 A HN 0.762 nan 8.150 nan 0.000 0.765 499 A N -0.625 122.276 122.820 0.136 0.000 2.407 499 A HA 0.574 4.897 4.320 0.005 0.000 0.248 499 A C 0.258 177.902 177.584 0.100 0.000 1.082 499 A CA 0.664 52.782 52.037 0.134 0.000 0.785 499 A CB 0.554 19.652 19.000 0.164 0.000 1.020 499 A HN 1.474 nan 8.150 nan 0.000 0.489 500 V N 2.123 122.099 119.914 0.102 0.000 2.577 500 V HA 0.593 4.716 4.120 0.005 0.000 0.303 500 V C -0.202 175.960 176.094 0.113 0.000 1.042 500 V CA -0.354 62.005 62.300 0.097 0.000 0.872 500 V CB 1.889 33.774 31.823 0.102 0.000 0.998 500 V HN 0.965 nan 8.190 nan 0.000 0.423 501 T N 5.841 120.442 114.554 0.078 0.000 2.921 501 T HA 0.611 4.963 4.350 0.005 0.000 0.297 501 T C -0.796 173.932 174.700 0.047 0.000 1.013 501 T CA -0.376 61.770 62.100 0.077 0.000 0.990 501 T CB 1.467 70.372 68.868 0.061 0.000 1.023 501 T HN 0.329 nan 8.240 nan 0.000 0.447 502 I N 2.803 123.407 120.570 0.056 0.000 2.339 502 I HA 0.679 4.852 4.170 0.005 0.000 0.290 502 I C 0.288 176.429 176.117 0.041 0.000 0.994 502 I CA -1.227 60.088 61.300 0.026 0.000 1.191 502 I CB 0.527 38.536 38.000 0.015 0.000 1.343 502 I HN 0.728 nan 8.210 nan 0.000 0.458 503 A N 4.803 127.642 122.820 0.033 0.000 2.350 503 A HA 0.791 5.114 4.320 0.005 0.000 0.324 503 A C -0.067 177.548 177.584 0.051 0.000 1.118 503 A CA -0.459 51.605 52.037 0.046 0.000 0.783 503 A CB 0.937 19.964 19.000 0.045 0.000 1.236 503 A HN 0.635 nan 8.150 nan 0.000 0.457 504 T N 3.650 118.240 114.554 0.060 0.000 2.767 504 T HA 0.376 4.729 4.350 0.005 0.000 0.288 504 T C 0.238 174.991 174.700 0.088 0.000 0.963 504 T CA -0.175 61.966 62.100 0.068 0.000 1.019 504 T CB 0.118 69.021 68.868 0.059 0.000 0.923 504 T HN 0.790 nan 8.240 nan 0.000 0.468 508 G N -2.031 106.761 108.800 -0.013 0.000 2.694 508 G HA2 0.613 4.575 3.960 0.005 0.000 0.290 508 G HA3 0.613 4.575 3.960 0.005 0.000 0.290 508 G C 0.130 175.029 174.900 -0.002 0.000 1.386 508 G CA 0.826 45.922 45.100 -0.007 0.000 0.872 508 G HN 1.540 nan 8.290 nan 0.000 0.475 509 R N -0.794 119.709 120.500 0.003 0.000 2.020 509 R HA -0.214 4.129 4.340 0.005 0.000 0.156 509 R C 1.555 177.860 176.300 0.008 0.000 0.936 509 R CA 3.546 59.650 56.100 0.006 0.000 0.681 509 R CB -1.522 28.779 30.300 0.003 0.000 0.560 509 R HN 2.872 nan 8.270 nan 0.000 0.328 510 G N -2.057 106.744 108.800 0.002 0.000 2.960 510 G HA2 -0.301 3.662 3.960 0.005 0.000 0.267 510 G HA3 -0.301 3.662 3.960 0.005 0.000 0.267 510 G C -0.355 174.549 174.900 0.006 0.000 1.492 510 G CA 0.219 45.320 45.100 0.002 0.000 0.953 510 G HN 0.889 nan 8.290 nan 0.000 0.555 511 T N 1.564 116.121 114.554 0.005 0.000 2.817 511 T HA 0.264 4.617 4.350 0.005 0.000 0.295 511 T C 0.699 175.413 174.700 0.023 0.000 0.958 511 T CA 0.300 62.406 62.100 0.009 0.000 1.157 511 T CB 0.718 69.590 68.868 0.007 0.000 0.898 511 T HN 0.609 nan 8.240 nan 0.000 0.536 512 D N 2.251 122.667 120.400 0.026 0.000 2.571 512 D HA -0.026 4.617 4.640 0.005 0.000 0.231 512 D C -0.074 176.261 176.300 0.058 0.000 1.133 512 D CA 0.535 54.561 54.000 0.043 0.000 0.862 512 D CB 0.535 41.363 40.800 0.046 0.000 1.179 512 D HN 0.443 nan 8.370 nan 0.000 0.474 513 I N 3.735 124.348 120.570 0.072 0.000 2.312 513 I HA 0.081 4.254 4.170 0.005 0.000 0.290 513 I C 0.016 176.209 176.117 0.127 0.000 1.008 513 I CA -0.769 60.586 61.300 0.091 0.000 1.226 513 I CB 1.679 39.727 38.000 0.079 0.000 1.371 513 I HN 0.008 nan 8.210 nan 0.000 0.468 514 V N 7.513 127.530 119.914 0.171 0.000 2.432 514 V HA 0.252 4.375 4.120 0.005 0.000 0.275 514 V C 0.441 176.710 176.094 0.293 0.000 1.043 514 V CA -0.636 61.822 62.300 0.262 0.000 0.925 514 V CB 1.147 33.155 31.823 0.308 0.000 0.985 514 V HN 0.474 nan 8.190 nan 0.000 0.466 515 L N 4.829 126.209 121.223 0.262 0.000 2.455 515 L HA 0.442 4.785 4.340 0.005 0.000 0.272 515 L C 1.467 178.429 176.870 0.154 0.000 1.174 515 L CA 0.899 55.802 54.840 0.105 0.000 0.869 515 L CB 0.064 42.042 42.059 -0.135 0.000 1.130 515 L HN 0.978 nan 8.230 nan 0.000 0.474 516 G N 1.801 110.605 108.800 0.007 0.000 2.195 516 G HA2 -0.035 3.927 3.960 0.005 0.000 0.246 516 G HA3 -0.035 3.927 3.960 0.005 0.000 0.246 516 G C 0.532 175.546 174.900 0.190 0.000 0.984 516 G CA -0.035 45.014 45.100 -0.084 0.000 0.633 516 G HN 1.527 nan 8.290 nan 0.000 0.525 517 G N -1.426 107.610 108.800 0.394 0.000 2.663 517 G HA2 0.420 4.383 3.960 0.005 0.000 0.686 517 G HA3 0.420 4.383 3.960 0.005 0.000 0.686 517 G C -0.064 175.175 174.900 0.566 0.000 1.246 517 G CA 0.292 45.697 45.100 0.508 0.000 0.795 517 G HN 2.005 nan 8.290 nan 0.000 0.627 518 S N 0.846 116.757 115.700 0.351 0.000 2.474 518 S HA 0.496 4.969 4.470 0.005 0.000 0.276 518 S C 0.917 175.579 174.600 0.104 0.000 1.227 518 S CA 0.095 58.410 58.200 0.191 0.000 1.050 518 S CB 0.641 63.879 63.200 0.063 0.000 0.939 518 S HN 1.562 nan 8.310 nan 0.000 0.490 519 W N 2.510 123.649 121.300 -0.268 0.000 3.305 519 W HA 0.365 5.028 4.660 0.005 0.000 0.392 519 W C -0.042 176.344 176.519 -0.221 0.000 1.121 519 W CA -0.553 56.610 57.345 -0.303 0.000 1.909 519 W CB -1.000 28.064 29.460 -0.660 0.000 1.065 519 W HN 0.674 nan 8.180 nan 0.000 0.714 520 Q N 0.560 120.104 119.800 -0.427 0.000 2.599 520 Q HA 0.215 4.558 4.340 0.005 0.000 0.229 520 Q C 2.473 178.335 176.000 -0.231 0.000 0.800 520 Q CA 0.912 56.416 55.803 -0.498 0.000 0.937 520 Q CB -0.345 27.935 28.738 -0.764 0.000 1.285 520 Q HN 0.066 nan 8.270 nan 0.000 0.600 521 A N 1.151 123.867 122.820 -0.172 0.000 2.131 521 A HA -0.357 3.966 4.320 0.005 0.000 0.224 521 A C 1.582 179.147 177.584 -0.032 0.000 1.172 521 A CA 2.275 54.267 52.037 -0.075 0.000 0.672 521 A CB -0.398 18.585 19.000 -0.030 0.000 0.815 521 A HN 0.428 nan 8.150 nan 0.000 0.477 522 E N -1.802 118.388 120.200 -0.016 0.000 2.244 522 E HA 0.050 4.403 4.350 0.005 0.000 0.196 522 E C 1.914 178.528 176.600 0.024 0.000 0.939 522 E CA 0.672 57.094 56.400 0.037 0.000 0.884 522 E CB 0.200 29.967 29.700 0.111 0.000 0.850 522 E HN 0.584 nan 8.360 nan 0.000 0.481 523 V N -0.828 119.083 119.914 -0.004 0.000 3.052 523 V HA 0.213 4.335 4.120 0.005 0.000 0.254 523 V C 1.951 178.021 176.094 -0.039 0.000 1.100 523 V CA 1.199 63.495 62.300 -0.007 0.000 1.112 523 V CB 0.214 32.042 31.823 0.009 0.000 0.738 523 V HN 0.165 nan 8.190 nan 0.000 0.469 524 A N 0.506 123.285 122.820 -0.068 0.000 2.178 524 A HA 0.292 4.615 4.320 0.005 0.000 0.218 524 A C 2.157 179.718 177.584 -0.038 0.000 1.157 524 A CA 1.575 53.573 52.037 -0.065 0.000 0.689 524 A CB -0.635 18.315 19.000 -0.083 0.000 0.787 524 A HN 1.143 nan 8.150 nan 0.000 0.465 525 A N -1.545 121.261 122.820 -0.023 0.000 2.345 525 A HA 0.545 4.867 4.320 0.005 0.000 0.225 525 A C 0.227 177.808 177.584 -0.005 0.000 1.243 525 A CA -0.064 51.966 52.037 -0.012 0.000 0.875 525 A CB -0.077 18.921 19.000 -0.004 0.000 0.929 525 A HN 0.294 nan 8.150 nan 0.000 0.502 526 L N 1.264 122.484 121.223 -0.006 0.000 2.295 526 L HA 0.285 4.627 4.340 0.005 0.000 0.281 526 L C 1.189 178.057 176.870 -0.003 0.000 1.018 526 L CA -0.081 54.759 54.840 0.001 0.000 0.841 526 L CB 1.485 43.550 42.059 0.011 0.000 1.218 526 L HN 0.422 nan 8.230 nan 0.000 0.424 527 E N 2.094 122.293 120.200 -0.002 0.000 2.481 527 E HA -0.011 4.342 4.350 0.005 0.000 0.195 527 E C -0.107 176.491 176.600 -0.003 0.000 1.047 527 E CA 0.174 56.571 56.400 -0.005 0.000 0.867 527 E CB 0.348 30.045 29.700 -0.005 0.000 0.858 527 E HN 0.593 nan 8.360 nan 0.000 0.513 528 N N 1.106 119.806 118.700 0.000 0.000 2.648 528 N HA 0.166 4.909 4.740 0.005 0.000 0.272 528 N C -2.953 172.561 175.510 0.006 0.000 1.118 528 N CA -0.870 52.181 53.050 0.002 0.000 0.973 528 N CB 2.202 40.690 38.487 0.002 0.000 1.565 528 N HN -0.106 nan 8.380 nan 0.000 0.542 529 P HA 0.441 nan 4.420 nan 0.000 0.288 529 P C -1.136 176.174 177.300 0.017 0.000 1.297 529 P CA -0.298 62.811 63.100 0.015 0.000 0.864 529 P CB 2.218 33.928 31.700 0.017 0.000 1.237 530 T N -1.596 112.972 114.554 0.023 0.000 2.916 530 T HA 0.482 4.835 4.350 0.005 0.000 0.298 530 T C 1.143 175.861 174.700 0.030 0.000 1.031 530 T CA 0.258 62.372 62.100 0.022 0.000 0.993 530 T CB 0.735 69.614 68.868 0.018 0.000 1.045 530 T HN 0.482 nan 8.240 nan 0.000 0.454 531 A N 3.599 126.436 122.820 0.028 0.000 1.980 531 A HA -0.277 4.045 4.320 0.005 0.000 0.244 531 A C 1.463 179.064 177.584 0.027 0.000 1.993 531 A CA 3.193 55.247 52.037 0.029 0.000 0.750 531 A CB -1.009 18.003 19.000 0.021 0.000 0.833 531 A HN 1.022 nan 8.150 nan 0.000 0.555 532 E N -1.583 118.631 120.200 0.024 0.000 2.501 532 E HA 0.294 4.646 4.350 0.005 0.000 0.201 532 E C 1.466 178.082 176.600 0.027 0.000 1.016 532 E CA 0.576 56.989 56.400 0.022 0.000 0.920 532 E CB 0.022 29.731 29.700 0.016 0.000 1.023 532 E HN 0.716 nan 8.360 nan 0.000 0.474 533 Q N -0.139 119.681 119.800 0.033 0.000 2.373 533 Q HA 0.186 4.529 4.340 0.005 0.000 0.210 533 Q C 1.410 177.444 176.000 0.057 0.000 0.913 533 Q CA 0.290 56.118 55.803 0.041 0.000 0.911 533 Q CB 0.322 29.082 28.738 0.037 0.000 1.040 533 Q HN 0.282 nan 8.270 nan 0.000 0.521 534 I N 0.451 121.058 120.570 0.061 0.000 2.270 534 I HA -0.155 4.018 4.170 0.005 0.000 0.239 534 I C 2.039 178.201 176.117 0.075 0.000 1.080 534 I CA 1.150 62.506 61.300 0.093 0.000 1.383 534 I CB -0.877 37.179 38.000 0.093 0.000 1.097 534 I HN 0.205 nan 8.210 nan 0.000 0.420 535 E N 1.086 121.310 120.200 0.041 0.000 2.246 535 E HA -0.330 4.023 4.350 0.005 0.000 0.232 535 E C 2.217 178.821 176.600 0.007 0.000 1.087 535 E CA 2.367 58.773 56.400 0.009 0.000 0.964 535 E CB -0.047 29.659 29.700 0.011 0.000 0.827 535 E HN 0.047 nan 8.360 nan 0.000 0.476 536 K N 0.117 120.535 120.400 0.029 0.000 1.985 536 K HA -0.122 4.201 4.320 0.005 0.000 0.210 536 K C 2.260 178.895 176.600 0.057 0.000 1.047 536 K CA 1.546 57.856 56.287 0.037 0.000 0.932 536 K CB -0.718 31.809 32.500 0.044 0.000 0.716 536 K HN 0.223 nan 8.250 nan 0.000 0.439 537 I N 1.235 121.857 120.570 0.087 0.000 2.335 537 I HA -0.264 3.909 4.170 0.005 0.000 0.251 537 I C 2.496 178.696 176.117 0.138 0.000 1.129 537 I CA 1.371 62.755 61.300 0.139 0.000 1.402 537 I CB -0.048 38.062 38.000 0.184 0.000 1.069 537 I HN 0.187 nan 8.210 nan 0.000 0.424 538 K N 0.090 120.500 120.400 0.016 0.000 2.098 538 K HA -0.015 4.308 4.320 0.005 0.000 0.203 538 K C 2.207 178.768 176.600 -0.065 0.000 1.051 538 K CA 0.947 57.099 56.287 -0.224 0.000 0.957 538 K CB -0.050 32.148 32.500 -0.503 0.000 0.738 538 K HN 0.264 nan 8.250 nan 0.000 0.447 539 A N 1.967 124.765 122.820 -0.036 0.000 1.865 539 A HA -0.222 4.100 4.320 0.005 0.000 0.217 539 A C 1.620 179.210 177.584 0.009 0.000 1.191 539 A CA 2.171 54.196 52.037 -0.020 0.000 0.623 539 A CB -0.769 18.222 19.000 -0.015 0.000 0.826 539 A HN 0.349 nan 8.150 nan 0.000 0.444 540 D N -1.504 118.924 120.400 0.047 0.000 2.116 540 D HA -0.210 4.433 4.640 0.005 0.000 0.193 540 D C 1.544 177.891 176.300 0.078 0.000 0.998 540 D CA 1.593 55.631 54.000 0.064 0.000 0.836 540 D CB -0.477 40.390 40.800 0.111 0.000 0.951 540 D HN 0.779 nan 8.370 nan 0.000 0.449 541 W N 1.312 122.572 121.300 -0.066 0.000 2.381 541 W HA -0.165 4.498 4.660 0.005 0.000 0.301 541 W C 2.444 178.908 176.519 -0.092 0.000 1.205 541 W CA 1.319 58.628 57.345 -0.060 0.000 1.285 541 W CB -0.400 29.000 29.460 -0.100 0.000 1.133 541 W HN -0.106 nan 8.180 nan 0.000 0.521 542 Q N 0.563 120.244 119.800 -0.199 0.000 2.096 542 Q HA -0.203 4.140 4.340 0.005 0.000 0.204 542 Q C 1.965 177.740 176.000 -0.375 0.000 0.982 542 Q CA 2.964 58.486 55.803 -0.469 0.000 0.850 542 Q CB -0.762 27.884 28.738 -0.153 0.000 0.901 542 Q HN 0.257 nan 8.270 nan 0.000 0.422 543 V N 0.505 120.282 119.914 -0.228 0.000 2.343 543 V HA -0.264 3.859 4.120 0.005 0.000 0.247 543 V C 2.317 178.267 176.094 -0.240 0.000 1.051 543 V CA 2.264 64.455 62.300 -0.181 0.000 1.036 543 V CB -0.568 31.188 31.823 -0.113 0.000 0.654 543 V HN 0.350 nan 8.190 nan 0.000 0.451 544 R N -1.048 119.269 120.500 -0.306 0.000 2.092 544 R HA -0.126 4.216 4.340 0.005 0.000 0.231 544 R C 2.439 178.502 176.300 -0.396 0.000 1.119 544 R CA 1.384 57.275 56.100 -0.347 0.000 0.970 544 R CB -0.505 29.576 30.300 -0.365 0.000 0.864 544 R HN 0.634 nan 8.270 nan 0.000 0.440 545 H N 1.113 119.750 119.070 -0.722 0.000 2.326 545 H HA -0.086 4.473 4.556 0.005 0.000 0.301 545 H C 0.974 176.048 175.328 -0.424 0.000 1.081 545 H CA 1.491 57.114 56.048 -0.709 0.000 1.334 545 H CB 0.263 29.178 29.762 -1.411 0.000 1.385 545 H HN 0.106 nan 8.280 nan 0.000 0.504 546 D N 0.617 120.871 120.400 -0.243 0.000 2.178 546 D HA -0.055 4.588 4.640 0.005 0.000 0.202 546 D C 2.201 178.388 176.300 -0.188 0.000 0.974 546 D CA 1.067 54.964 54.000 -0.172 0.000 0.841 546 D CB -0.375 40.355 40.800 -0.116 0.000 0.953 546 D HN 0.462 nan 8.370 nan 0.000 0.478 547 A N 0.512 123.213 122.820 -0.198 0.000 1.972 547 A HA -0.103 4.220 4.320 0.005 0.000 0.219 547 A C 2.449 179.925 177.584 -0.180 0.000 1.169 547 A CA 0.923 52.858 52.037 -0.170 0.000 0.635 547 A CB -0.470 18.432 19.000 -0.163 0.000 0.810 547 A HN 0.148 nan 8.150 nan 0.000 0.446 548 V N -0.164 119.609 119.914 -0.235 0.000 2.407 548 V HA -0.164 3.959 4.120 0.005 0.000 0.245 548 V C 2.503 178.480 176.094 -0.195 0.000 1.041 548 V CA 1.510 63.687 62.300 -0.204 0.000 1.040 548 V CB -0.590 31.099 31.823 -0.223 0.000 0.671 548 V HN 0.560 nan 8.190 nan 0.000 0.455 549 L N 0.129 121.193 121.223 -0.264 0.000 2.012 549 L HA -0.218 4.125 4.340 0.005 0.000 0.210 549 L C 2.655 179.448 176.870 -0.129 0.000 1.073 549 L CA 2.127 56.846 54.840 -0.202 0.000 0.748 549 L CB -0.526 41.396 42.059 -0.229 0.000 0.891 549 L HN 0.416 nan 8.230 nan 0.000 0.431 550 E N 0.752 120.877 120.200 -0.125 0.000 2.110 550 E HA -0.191 4.162 4.350 0.005 0.000 0.193 550 E C 1.831 178.384 176.600 -0.078 0.000 0.988 550 E CA 1.360 57.707 56.400 -0.090 0.000 0.804 550 E CB -0.088 29.559 29.700 -0.087 0.000 0.745 550 E HN 0.359 nan 8.360 nan 0.000 0.458 551 A N -0.643 122.125 122.820 -0.087 0.000 2.252 551 A HA 0.369 4.692 4.320 0.005 0.000 0.207 551 A C 1.640 179.186 177.584 -0.063 0.000 1.194 551 A CA 0.844 52.838 52.037 -0.072 0.000 0.809 551 A CB -0.734 18.222 19.000 -0.073 0.000 0.814 551 A HN 0.588 nan 8.150 nan 0.000 0.482 552 G N -3.008 105.755 108.800 -0.062 0.000 2.168 552 G HA2 0.288 4.251 3.960 0.005 0.000 0.197 552 G HA3 0.288 4.251 3.960 0.005 0.000 0.197 552 G C 1.328 176.212 174.900 -0.027 0.000 0.997 552 G CA 0.347 45.421 45.100 -0.043 0.000 0.658 552 G HN 2.319 nan 8.290 nan 0.000 0.513 553 G N -1.014 107.757 108.800 -0.047 0.000 2.642 553 G HA2 0.154 4.117 3.960 0.005 0.000 0.231 553 G HA3 0.154 4.117 3.960 0.005 0.000 0.231 553 G C -0.094 174.809 174.900 0.004 0.000 1.338 553 G CA 0.058 45.136 45.100 -0.036 0.000 0.883 553 G HN 1.701 nan 8.290 nan 0.000 0.570 554 L N 0.788 122.025 121.223 0.023 0.000 2.360 554 L HA 0.625 4.968 4.340 0.005 0.000 0.276 554 L C 0.542 177.467 176.870 0.091 0.000 1.121 554 L CA -0.274 54.596 54.840 0.049 0.000 0.845 554 L CB 0.586 42.668 42.059 0.039 0.000 1.143 554 L HN 0.870 nan 8.230 nan 0.000 0.452 555 H N 5.474 124.540 119.070 -0.007 0.000 2.552 555 H HA 0.437 4.996 4.556 0.005 0.000 0.311 555 H C -0.634 174.683 175.328 -0.017 0.000 1.071 555 H CA -0.701 55.341 56.048 -0.010 0.000 1.307 555 H CB 0.523 30.281 29.762 -0.008 0.000 1.416 555 H HN 0.497 nan 8.280 nan 0.000 0.464 556 I N 7.218 127.554 120.570 -0.390 0.000 2.365 556 I HA 0.156 4.329 4.170 0.005 0.000 0.291 556 I C 0.189 175.899 176.117 -0.679 0.000 1.004 556 I CA -0.315 60.737 61.300 -0.413 0.000 1.311 556 I CB 0.799 38.641 38.000 -0.263 0.000 1.401 556 I HN 0.627 nan 8.210 nan 0.000 0.491 557 I N 4.848 125.155 120.570 -0.439 0.000 2.382 557 I HA 0.307 4.480 4.170 0.005 0.000 0.286 557 I C 0.620 176.541 176.117 -0.327 0.000 1.002 557 I CA -0.418 60.685 61.300 -0.328 0.000 1.135 557 I CB 1.928 39.837 38.000 -0.153 0.000 1.288 557 I HN 0.630 nan 8.210 nan 0.000 0.448 558 G N 3.122 111.592 108.800 -0.550 0.000 2.393 558 G HA2 0.257 4.219 3.960 0.005 0.000 0.311 558 G HA3 0.257 4.219 3.960 0.005 0.000 0.311 558 G C 1.046 175.963 174.900 0.028 0.000 1.067 558 G CA -0.251 44.634 45.100 -0.359 0.000 1.000 558 G HN 0.756 nan 8.290 nan 0.000 0.422 559 T N 0.007 114.576 114.554 0.024 0.000 2.962 559 T HA 0.069 4.422 4.350 0.005 0.000 0.270 559 T C 0.573 175.337 174.700 0.107 0.000 1.088 559 T CA 0.866 62.981 62.100 0.026 0.000 1.127 559 T CB 0.106 68.940 68.868 -0.057 0.000 0.883 559 T HN 0.442 nan 8.240 nan 0.000 0.493 560 E N -0.610 119.666 120.200 0.126 0.000 2.413 560 E HA 0.601 4.954 4.350 0.005 0.000 0.277 560 E C -0.893 175.816 176.600 0.180 0.000 0.958 560 E CA -0.839 55.633 56.400 0.120 0.000 0.779 560 E CB 1.730 31.433 29.700 0.004 0.000 1.278 560 E HN 0.115 nan 8.360 nan 0.000 0.456 561 R N 0.554 121.134 120.500 0.132 0.000 2.532 561 R HA 0.435 4.777 4.340 0.005 0.000 0.272 561 R C -0.529 175.735 176.300 -0.060 0.000 1.032 561 R CA -0.696 55.452 56.100 0.079 0.000 1.089 561 R CB 0.579 30.859 30.300 -0.033 0.000 1.098 561 R HN 0.522 nan 8.270 nan 0.000 0.526 562 H N 0.588 119.668 119.070 0.017 0.000 2.551 562 H HA 0.024 4.583 4.556 0.005 0.000 0.358 562 H C 0.863 176.171 175.328 -0.034 0.000 1.151 562 H CA -0.016 56.033 56.048 0.002 0.000 1.374 562 H CB 0.962 30.732 29.762 0.012 0.000 1.473 562 H HN 0.607 nan 8.280 nan 0.000 0.574 563 E N 0.804 121.049 120.200 0.076 0.000 2.070 563 E HA -0.167 4.186 4.350 0.005 0.000 0.197 563 E C 0.368 176.982 176.600 0.023 0.000 1.004 563 E CA 1.163 57.574 56.400 0.019 0.000 0.805 563 E CB 0.077 29.789 29.700 0.021 0.000 0.744 563 E HN 0.310 nan 8.360 nan 0.000 0.451 564 S N 0.095 115.834 115.700 0.065 0.000 2.455 564 S HA 0.090 4.563 4.470 0.005 0.000 0.278 564 S C 0.754 175.360 174.600 0.010 0.000 1.216 564 S CA -0.235 57.983 58.200 0.031 0.000 1.055 564 S CB 0.760 63.972 63.200 0.019 0.000 0.939 564 S HN 0.151 nan 8.310 nan 0.000 0.494 565 R N 3.843 124.330 120.500 -0.022 0.000 2.092 565 R HA -0.008 4.335 4.340 0.005 0.000 0.231 565 R C 2.445 178.720 176.300 -0.042 0.000 1.119 565 R CA 0.918 56.983 56.100 -0.058 0.000 0.970 565 R CB -0.141 30.114 30.300 -0.076 0.000 0.864 565 R HN 0.665 nan 8.270 nan 0.000 0.440 566 R N 0.675 121.165 120.500 -0.017 0.000 2.165 566 R HA -0.219 4.124 4.340 0.005 0.000 0.254 566 R C 2.003 178.289 176.300 -0.024 0.000 1.153 566 R CA 2.083 58.178 56.100 -0.008 0.000 0.971 566 R CB -0.387 29.915 30.300 0.003 0.000 0.878 566 R HN 0.301 nan 8.270 nan 0.000 0.449 567 I N 0.368 120.904 120.570 -0.056 0.000 2.286 567 I HA -0.223 3.950 4.170 0.005 0.000 0.245 567 I C 1.753 177.848 176.117 -0.036 0.000 1.104 567 I CA 1.014 62.247 61.300 -0.112 0.000 1.397 567 I CB -0.345 37.465 38.000 -0.315 0.000 1.072 567 I HN 0.095 nan 8.210 nan 0.000 0.417 568 D N 1.093 121.497 120.400 0.007 0.000 2.123 568 D HA -0.174 4.468 4.640 0.005 0.000 0.196 568 D C 1.854 178.232 176.300 0.130 0.000 0.992 568 D CA 1.249 55.296 54.000 0.078 0.000 0.833 568 D CB -0.470 40.163 40.800 -0.278 0.000 0.954 568 D HN 0.275 nan 8.370 nan 0.000 0.455 569 N N 0.567 119.288 118.700 0.034 0.000 2.188 569 N HA -0.091 4.652 4.740 0.005 0.000 0.184 569 N C 1.802 177.353 175.510 0.069 0.000 1.018 569 N CA 0.595 53.675 53.050 0.050 0.000 0.858 569 N CB -0.183 38.313 38.487 0.015 0.000 0.989 569 N HN 0.379 nan 8.380 nan 0.000 0.426 570 Q N -0.002 119.827 119.800 0.048 0.000 2.046 570 Q HA -0.070 4.273 4.340 0.005 0.000 0.200 570 Q C 1.952 177.988 176.000 0.059 0.000 0.975 570 Q CA 0.740 56.566 55.803 0.039 0.000 0.836 570 Q CB -0.181 28.562 28.738 0.010 0.000 0.896 570 Q HN 0.210 nan 8.270 nan 0.000 0.428 571 L N 1.644 122.921 121.223 0.091 0.000 1.990 571 L HA -0.269 4.073 4.340 0.005 0.000 0.213 571 L C 2.490 179.415 176.870 0.091 0.000 1.072 571 L CA 2.168 57.071 54.840 0.104 0.000 0.755 571 L CB -0.470 41.690 42.059 0.169 0.000 0.889 571 L HN 0.164 nan 8.230 nan 0.000 0.432 572 R N -0.869 119.727 120.500 0.161 0.000 2.096 572 R HA -0.069 4.274 4.340 0.005 0.000 0.235 572 R C 2.113 178.457 176.300 0.073 0.000 1.127 572 R CA 1.428 57.602 56.100 0.123 0.000 0.968 572 R CB -1.690 28.749 30.300 0.233 0.000 0.861 572 R HN 0.393 nan 8.270 nan 0.000 0.440 573 G N 1.016 109.860 108.800 0.073 0.000 2.527 573 G HA2 -0.232 3.730 3.960 0.005 0.000 0.219 573 G HA3 -0.232 3.730 3.960 0.005 0.000 0.219 573 G C 1.262 176.187 174.900 0.042 0.000 1.117 573 G CA 0.429 45.560 45.100 0.052 0.000 0.759 573 G HN 0.365 nan 8.290 nan 0.000 0.556 574 R N -0.125 120.399 120.500 0.039 0.000 2.280 574 R HA 0.109 4.452 4.340 0.005 0.000 0.207 574 R C 1.124 177.444 176.300 0.034 0.000 1.043 574 R CA 0.379 56.500 56.100 0.034 0.000 1.006 574 R CB 0.035 30.352 30.300 0.029 0.000 0.885 574 R HN 0.295 nan 8.270 nan 0.000 0.467 575 S N -0.954 114.764 115.700 0.031 0.000 2.608 575 S HA 0.458 4.931 4.470 0.005 0.000 0.291 575 S C 0.637 175.258 174.600 0.036 0.000 1.146 575 S CA 0.082 58.301 58.200 0.031 0.000 1.043 575 S CB 1.585 64.798 63.200 0.022 0.000 1.037 575 S HN 0.445 nan 8.310 nan 0.000 0.520 576 G N 3.040 111.861 108.800 0.035 0.000 2.176 576 G HA2 -0.218 3.745 3.960 0.005 0.000 0.252 576 G HA3 -0.218 3.745 3.960 0.005 0.000 0.252 576 G C -0.044 174.877 174.900 0.035 0.000 1.024 576 G CA 0.166 45.286 45.100 0.032 0.000 0.755 576 G HN 0.778 nan 8.290 nan 0.000 0.507 577 R N -0.328 120.198 120.500 0.043 0.000 2.490 577 R HA 0.426 4.769 4.340 0.005 0.000 0.280 577 R C 1.005 177.336 176.300 0.051 0.000 1.077 577 R CA -0.151 55.977 56.100 0.047 0.000 1.065 577 R CB 0.287 30.619 30.300 0.054 0.000 1.003 577 R HN 0.437 nan 8.270 nan 0.000 0.470 578 Q N 0.918 120.742 119.800 0.040 0.000 2.416 578 Q HA -0.267 4.076 4.340 0.005 0.000 0.319 578 Q C 0.733 176.749 176.000 0.026 0.000 1.318 578 Q CA 0.962 56.781 55.803 0.028 0.000 0.915 578 Q CB -1.466 27.298 28.738 0.043 0.000 1.184 578 Q HN 1.175 nan 8.270 nan 0.000 0.444 579 G N -1.239 107.571 108.800 0.018 0.000 2.199 579 G HA2 -0.291 3.672 3.960 0.005 0.000 0.254 579 G HA3 -0.291 3.672 3.960 0.005 0.000 0.254 579 G C -0.167 174.744 174.900 0.019 0.000 0.982 579 G CA -0.067 45.041 45.100 0.012 0.000 0.632 579 G HN 0.481 nan 8.290 nan 0.000 0.529 580 D N 1.441 121.859 120.400 0.030 0.000 2.525 580 D HA 0.465 5.108 4.640 0.005 0.000 0.235 580 D C 1.100 177.402 176.300 0.004 0.000 1.137 580 D CA 0.953 54.964 54.000 0.018 0.000 0.868 580 D CB 0.797 41.615 40.800 0.030 0.000 1.180 580 D HN 0.852 nan 8.370 nan 0.000 0.465 581 A N 1.657 124.469 122.820 -0.015 0.000 2.520 581 A HA 0.528 4.851 4.320 0.005 0.000 0.235 581 A C 0.808 178.391 177.584 -0.001 0.000 1.065 581 A CA 0.700 52.730 52.037 -0.012 0.000 0.764 581 A CB 0.263 19.244 19.000 -0.031 0.000 1.002 581 A HN 0.607 nan 8.150 nan 0.000 0.502 582 G N -0.459 108.351 108.800 0.017 0.000 2.495 582 G HA2 0.691 4.654 3.960 0.005 0.000 0.294 582 G HA3 0.691 4.654 3.960 0.005 0.000 0.294 582 G C -0.785 174.153 174.900 0.063 0.000 1.397 582 G CA 0.235 45.358 45.100 0.038 0.000 0.790 582 G HN 1.858 nan 8.290 nan 0.000 0.486 583 S N -1.550 114.216 115.700 0.110 0.000 2.625 583 S HA 0.910 5.383 4.470 0.005 0.000 0.271 583 S C -0.544 174.134 174.600 0.130 0.000 1.161 583 S CA 0.054 58.346 58.200 0.154 0.000 0.820 583 S CB 1.587 64.912 63.200 0.207 0.000 1.137 583 S HN 2.282 nan 8.310 nan 0.000 0.470 584 S N -0.016 115.737 115.700 0.089 0.000 2.579 584 S HA 0.859 5.332 4.470 0.005 0.000 0.272 584 S C -1.133 173.457 174.600 -0.017 0.000 1.141 584 S CA -0.897 57.246 58.200 -0.094 0.000 0.843 584 S CB 2.099 65.276 63.200 -0.038 0.000 1.122 584 S HN 1.172 nan 8.310 nan 0.000 0.468 585 R N 0.871 121.255 120.500 -0.193 0.000 2.522 585 R HA 0.609 4.952 4.340 0.005 0.000 0.273 585 R C -2.235 173.889 176.300 -0.293 0.000 1.133 585 R CA -0.442 55.599 56.100 -0.097 0.000 0.969 585 R CB 0.798 31.116 30.300 0.030 0.000 1.235 585 R HN 0.644 nan 8.270 nan 0.000 0.433 586 F N 3.772 123.683 119.950 -0.065 0.000 2.399 586 F HA 0.490 5.020 4.527 0.005 0.000 0.334 586 F C -0.339 175.358 175.800 -0.173 0.000 1.097 586 F CA -0.234 57.762 58.000 -0.006 0.000 1.076 586 F CB 1.205 40.211 39.000 0.009 0.000 1.162 586 F HN 0.376 nan 8.300 nan 0.000 0.495 587 Y N 2.506 122.924 120.300 0.196 0.000 2.429 587 Y HA 0.750 5.303 4.550 0.005 0.000 0.342 587 Y C -0.639 175.365 175.900 0.174 0.000 1.004 587 Y CA -0.982 57.226 58.100 0.181 0.000 1.075 587 Y CB 1.707 40.227 38.460 0.101 0.000 1.214 587 Y HN 0.301 nan 8.280 nan 0.000 0.455 588 L N 1.795 123.198 121.223 0.300 0.000 2.415 588 L HA 0.779 5.122 4.340 0.005 0.000 0.256 588 L C -0.479 176.533 176.870 0.237 0.000 1.010 588 L CA -0.703 54.263 54.840 0.209 0.000 0.826 588 L CB 2.421 44.563 42.059 0.138 0.000 1.405 588 L HN 0.666 nan 8.230 nan 0.000 0.410 592 D N 1.802 122.238 120.400 0.060 0.000 2.424 592 D HA 0.207 4.850 4.640 0.005 0.000 0.244 592 D C 1.191 177.516 176.300 0.042 0.000 1.134 592 D CA 0.761 54.791 54.000 0.049 0.000 0.881 592 D CB 1.098 41.934 40.800 0.061 0.000 1.191 592 D HN 0.221 nan 8.370 nan 0.000 0.445 593 A N 3.445 126.279 122.820 0.023 0.000 1.887 593 A HA -0.271 4.052 4.320 0.005 0.000 0.225 593 A C 1.317 178.910 177.584 0.016 0.000 1.464 593 A CA 1.361 53.406 52.037 0.015 0.000 0.717 593 A CB -1.097 17.902 19.000 -0.002 0.000 0.848 593 A HN 0.647 nan 8.150 nan 0.000 0.477 597 I N -0.888 119.628 120.570 -0.090 0.000 2.530 597 I HA -0.105 4.068 4.170 0.005 0.000 0.257 597 I C 1.340 177.325 176.117 -0.220 0.000 1.179 597 I CA 1.528 62.716 61.300 -0.187 0.000 1.440 597 I CB -0.422 37.397 38.000 -0.302 0.000 1.087 597 I HN -0.141 nan 8.210 nan 0.000 0.440 598 F N 2.084 122.044 119.950 0.018 0.000 2.407 598 F HA 0.216 4.746 4.527 0.005 0.000 0.299 598 F C 2.167 177.980 175.800 0.022 0.000 1.097 598 F CA 0.940 58.953 58.000 0.022 0.000 1.422 598 F CB -0.540 38.476 39.000 0.028 0.000 1.067 598 F HN 0.307 nan 8.300 nan 0.000 0.539 599 A N -0.335 122.577 122.820 0.153 0.000 3.132 599 A HA -0.270 4.053 4.320 0.005 0.000 0.266 599 A C 0.993 178.637 177.584 0.099 0.000 1.216 599 A CA 1.071 53.167 52.037 0.098 0.000 0.985 599 A CB -1.987 17.053 19.000 0.066 0.000 1.102 599 A HN 0.314 nan 8.150 nan 0.000 0.833 600 S N -1.380 114.396 115.700 0.128 0.000 2.605 600 S HA 0.527 4.999 4.470 0.005 0.000 0.308 600 S C 0.372 175.019 174.600 0.078 0.000 1.113 600 S CA 0.251 58.501 58.200 0.083 0.000 1.049 600 S CB 1.508 64.743 63.200 0.060 0.000 1.001 600 S HN 0.320 nan 8.310 nan 0.000 0.480 601 D N 2.864 123.299 120.400 0.059 0.000 2.144 601 D HA 0.008 4.651 4.640 0.005 0.000 0.200 601 D C 1.952 178.271 176.300 0.031 0.000 0.978 601 D CA 1.011 55.042 54.000 0.052 0.000 0.833 601 D CB 0.225 41.050 40.800 0.042 0.000 0.961 601 D HN 0.494 nan 8.370 nan 0.000 0.470 602 R N -0.206 120.306 120.500 0.020 0.000 2.100 602 R HA 0.003 4.346 4.340 0.005 0.000 0.220 602 R C 2.046 178.339 176.300 -0.013 0.000 1.091 602 R CA 0.398 56.501 56.100 0.004 0.000 0.986 602 R CB -0.100 30.203 30.300 0.004 0.000 0.888 602 R HN 0.098 nan 8.270 nan 0.000 0.444 603 V N 0.398 120.304 119.914 -0.013 0.000 2.392 603 V HA -0.252 3.871 4.120 0.005 0.000 0.249 603 V C 2.331 178.364 176.094 -0.101 0.000 1.059 603 V CA 2.045 64.320 62.300 -0.042 0.000 1.051 603 V CB -0.448 31.362 31.823 -0.020 0.000 0.658 603 V HN 0.338 nan 8.190 nan 0.000 0.455 604 S N -0.642 115.004 115.700 -0.090 0.000 2.355 604 S HA 0.008 4.481 4.470 0.005 0.000 0.222 604 S C 1.281 175.833 174.600 -0.080 0.000 1.031 604 S CA 1.022 59.141 58.200 -0.136 0.000 0.993 604 S CB -0.483 62.722 63.200 0.007 0.000 0.859 604 S HN 0.695 nan 8.310 nan 0.000 0.453 609 K N 1.679 122.077 120.400 -0.002 0.000 2.426 609 K HA 0.243 4.566 4.320 0.005 0.000 0.193 609 K C 0.993 177.595 176.600 0.003 0.000 1.028 609 K CA 0.423 56.710 56.287 -0.001 0.000 1.047 609 K CB 0.048 32.544 32.500 -0.007 0.000 0.821 609 K HN 0.100 nan 8.250 nan 0.000 0.513 610 L N 0.384 121.608 121.223 0.003 0.000 2.939 610 L HA 0.325 4.668 4.340 0.005 0.000 0.239 610 L C 1.002 177.879 176.870 0.012 0.000 1.325 610 L CA -0.607 54.241 54.840 0.012 0.000 1.170 610 L CB -0.780 41.284 42.059 0.009 0.000 1.538 610 L HN -0.008 nan 8.230 nan 0.000 0.452 614 P HA -0.320 nan 4.420 nan 0.000 0.223 614 P C 1.091 178.439 177.300 0.080 0.000 1.073 614 P CA 2.416 65.562 63.100 0.077 0.000 1.008 614 P CB 0.015 31.745 31.700 0.049 0.000 0.760 615 G N -1.011 107.824 108.800 0.059 0.000 2.408 615 G HA2 -0.088 3.875 3.960 0.005 0.000 0.215 615 G HA3 -0.088 3.875 3.960 0.005 0.000 0.215 615 G C 0.794 175.731 174.900 0.062 0.000 1.156 615 G CA 0.495 45.626 45.100 0.052 0.000 0.793 615 G HN 0.393 nan 8.290 nan 0.000 0.535 616 E N -0.786 119.450 120.200 0.060 0.000 3.262 616 E HA 0.697 5.049 4.350 0.005 0.000 0.257 616 E C -0.249 176.384 176.600 0.055 0.000 1.195 616 E CA -0.298 56.130 56.400 0.047 0.000 1.160 616 E CB 1.225 30.944 29.700 0.031 0.000 1.416 616 E HN 0.337 nan 8.360 nan 0.000 0.630 617 A N -0.564 122.269 122.820 0.021 0.000 2.555 617 A HA 0.350 4.672 4.320 0.005 0.000 0.299 617 A C -0.807 176.758 177.584 -0.032 0.000 0.962 617 A CA -0.638 51.394 52.037 -0.008 0.000 0.646 617 A CB -0.094 18.921 19.000 0.026 0.000 1.327 617 A HN 0.544 nan 8.150 nan 0.000 0.428 618 I N -0.425 120.104 120.570 -0.068 0.000 4.079 618 I HA 0.289 4.462 4.170 0.005 0.000 0.276 618 I C -0.372 175.635 176.117 -0.184 0.000 1.146 618 I CA 0.381 61.611 61.300 -0.117 0.000 1.324 618 I CB 0.403 38.328 38.000 -0.125 0.000 1.638 618 I HN 0.881 nan 8.210 nan 0.000 0.436 619 E N 2.231 122.322 120.200 -0.182 0.000 7.552 619 E HA -0.113 4.240 4.350 0.005 0.000 0.415 619 E C -1.075 175.311 176.600 -0.356 0.000 0.495 619 E CA 0.214 56.502 56.400 -0.187 0.000 0.933 619 E CB -0.595 29.026 29.700 -0.131 0.000 0.951 619 E HN 0.403 nan 8.360 nan 0.000 0.262 620 H N 2.773 121.775 119.070 -0.113 0.000 2.823 620 H HA 0.154 4.713 4.556 0.005 0.000 0.332 620 H C -1.793 173.439 175.328 -0.160 0.000 0.980 620 H CA -1.876 54.119 56.048 -0.088 0.000 1.286 620 H CB 1.679 31.364 29.762 -0.129 0.000 1.541 620 H HN 0.265 nan 8.280 nan 0.000 0.521 621 P HA -0.160 nan 4.420 nan 0.000 0.218 621 P C 1.863 179.195 177.300 0.054 0.000 1.149 621 P CA 1.125 64.252 63.100 0.046 0.000 0.817 621 P CB 0.021 31.771 31.700 0.083 0.000 0.785 622 W N 0.660 121.999 121.300 0.066 0.000 2.425 622 W HA -0.068 4.595 4.660 0.005 0.000 0.277 622 W C 1.189 177.728 176.519 0.032 0.000 1.231 622 W CA 0.367 57.734 57.345 0.037 0.000 1.248 622 W CB -1.643 27.828 29.460 0.019 0.000 1.117 622 W HN -0.246 nan 8.180 nan 0.000 0.568 623 V N 2.399 121.657 119.914 -1.093 0.000 2.343 623 V HA -0.306 3.816 4.120 0.005 0.000 0.247 623 V C 2.587 178.464 176.094 -0.361 0.000 1.051 623 V CA 2.827 64.540 62.300 -0.979 0.000 1.036 623 V CB -1.514 29.794 31.823 -0.858 0.000 0.654 623 V HN 0.176 nan 8.190 nan 0.000 0.451 624 T N 0.033 114.449 114.554 -0.230 0.000 2.746 624 T HA -0.214 4.139 4.350 0.005 0.000 0.267 624 T C 1.899 176.567 174.700 -0.053 0.000 1.039 624 T CA 1.711 63.746 62.100 -0.109 0.000 1.142 624 T CB -0.222 68.604 68.868 -0.070 0.000 0.866 624 T HN 0.533 nan 8.240 nan 0.000 0.444 625 K N 1.264 121.656 120.400 -0.013 0.000 2.103 625 K HA 0.191 4.514 4.320 0.005 0.000 0.204 625 K C 2.723 179.370 176.600 0.077 0.000 1.052 625 K CA 0.890 57.201 56.287 0.040 0.000 0.945 625 K CB -0.287 32.264 32.500 0.084 0.000 0.722 625 K HN 0.244 nan 8.250 nan 0.000 0.443 626 A N 1.885 124.779 122.820 0.123 0.000 1.903 626 A HA -0.224 4.099 4.320 0.005 0.000 0.219 626 A C 2.190 179.904 177.584 0.217 0.000 1.191 626 A CA 1.616 53.785 52.037 0.221 0.000 0.638 626 A CB -0.746 18.402 19.000 0.246 0.000 0.823 626 A HN 0.203 nan 8.150 nan 0.000 0.451 627 I N -0.698 119.947 120.570 0.126 0.000 2.202 627 I HA -0.248 3.925 4.170 0.005 0.000 0.242 627 I C 3.014 179.103 176.117 -0.046 0.000 1.091 627 I CA 1.001 62.341 61.300 0.066 0.000 1.368 627 I CB -0.347 37.663 38.000 0.018 0.000 1.058 627 I HN 0.376 nan 8.210 nan 0.000 0.410 628 A N 0.730 123.525 122.820 -0.041 0.000 1.883 628 A HA -0.297 4.026 4.320 0.005 0.000 0.217 628 A C 2.175 179.729 177.584 -0.050 0.000 1.186 628 A CA 2.232 54.232 52.037 -0.062 0.000 0.624 628 A CB -1.089 17.881 19.000 -0.049 0.000 0.822 628 A HN 0.554 nan 8.150 nan 0.000 0.444 629 N N 0.358 119.052 118.700 -0.010 0.000 2.104 629 N HA -0.172 4.571 4.740 0.005 0.000 0.190 629 N C 1.851 177.342 175.510 -0.031 0.000 1.024 629 N CA 1.595 54.642 53.050 -0.004 0.000 0.853 629 N CB -0.218 38.299 38.487 0.050 0.000 1.008 629 N HN 0.395 nan 8.380 nan 0.000 0.424 630 A N 0.574 123.361 122.820 -0.055 0.000 2.014 630 A HA -0.091 4.232 4.320 0.005 0.000 0.218 630 A C 2.134 179.616 177.584 -0.170 0.000 1.163 630 A CA 0.858 52.797 52.037 -0.163 0.000 0.652 630 A CB -0.351 18.351 19.000 -0.496 0.000 0.808 630 A HN 0.450 nan 8.150 nan 0.000 0.449 631 Q N -0.937 118.776 119.800 -0.146 0.000 2.123 631 Q HA -0.110 4.232 4.340 0.005 0.000 0.199 631 Q C 2.353 178.305 176.000 -0.079 0.000 0.966 631 Q CA 1.247 56.982 55.803 -0.114 0.000 0.845 631 Q CB -0.151 28.525 28.738 -0.103 0.000 0.907 631 Q HN 0.668 nan 8.270 nan 0.000 0.439 632 R N 1.164 121.612 120.500 -0.087 0.000 2.081 632 R HA -0.154 4.189 4.340 0.005 0.000 0.235 632 R C 1.787 178.030 176.300 -0.095 0.000 1.131 632 R CA 1.437 57.474 56.100 -0.105 0.000 0.960 632 R CB 0.117 30.341 30.300 -0.127 0.000 0.856 632 R HN 0.104 nan 8.270 nan 0.000 0.436 633 K N -0.210 120.147 120.400 -0.071 0.000 2.057 633 K HA -0.073 4.250 4.320 0.005 0.000 0.206 633 K C 2.082 178.675 176.600 -0.012 0.000 1.050 633 K CA 1.379 57.641 56.287 -0.041 0.000 0.935 633 K CB -0.110 32.374 32.500 -0.027 0.000 0.715 633 K HN 0.014 nan 8.250 nan 0.000 0.439 634 V N 1.820 121.718 119.914 -0.026 0.000 2.282 634 V HA -0.294 3.829 4.120 0.005 0.000 0.249 634 V C 2.393 178.515 176.094 0.048 0.000 1.057 634 V CA 2.244 64.543 62.300 -0.002 0.000 1.032 634 V CB -0.453 31.351 31.823 -0.033 0.000 0.645 634 V HN 0.391 nan 8.190 nan 0.000 0.447 635 E N 0.206 120.438 120.200 0.053 0.000 2.070 635 E HA -0.253 4.100 4.350 0.005 0.000 0.197 635 E C 2.403 179.152 176.600 0.248 0.000 1.004 635 E CA 2.066 58.548 56.400 0.136 0.000 0.805 635 E CB -0.624 29.152 29.700 0.126 0.000 0.744 635 E HN 0.462 nan 8.360 nan 0.000 0.451 636 S N -0.531 115.271 115.700 0.169 0.000 2.368 636 S HA -0.194 4.279 4.470 0.005 0.000 0.225 636 S C 2.082 176.837 174.600 0.257 0.000 1.030 636 S CA 1.550 59.902 58.200 0.254 0.000 0.999 636 S CB -0.399 62.828 63.200 0.045 0.000 0.844 636 S HN 0.421 nan 8.310 nan 0.000 0.459 637 R N 0.681 121.267 120.500 0.143 0.000 2.115 637 R HA 0.022 4.365 4.340 0.005 0.000 0.230 637 R C 1.892 178.259 176.300 0.111 0.000 1.111 637 R CA 1.745 57.909 56.100 0.107 0.000 0.976 637 R CB -0.535 29.801 30.300 0.061 0.000 0.870 637 R HN 0.535 nan 8.270 nan 0.000 0.445 638 N N -0.467 118.312 118.700 0.131 0.000 2.166 638 N HA -0.171 4.572 4.740 0.005 0.000 0.186 638 N C 1.425 177.027 175.510 0.153 0.000 1.019 638 N CA 1.131 54.251 53.050 0.117 0.000 0.856 638 N CB -0.144 38.409 38.487 0.110 0.000 0.993 638 N HN 0.139 nan 8.380 nan 0.000 0.426 639 F N 2.162 122.149 119.950 0.062 0.000 2.234 639 F HA -0.053 4.477 4.527 0.004 0.000 0.296 639 F C 1.645 177.460 175.800 0.026 0.000 1.089 639 F CA 1.004 59.016 58.000 0.020 0.000 1.343 639 F CB -0.185 38.822 39.000 0.013 0.000 1.040 639 F HN -0.090 nan 8.300 nan 0.000 0.498 640 D N 0.811 121.224 120.400 0.022 0.000 2.149 640 D HA -0.249 4.393 4.640 0.005 0.000 0.194 640 D C 2.432 178.656 176.300 -0.126 0.000 1.001 640 D CA 1.979 55.934 54.000 -0.075 0.000 0.849 640 D CB -0.474 40.343 40.800 0.029 0.000 0.939 640 D HN 0.353 nan 8.370 nan 0.000 0.449 641 I N 0.096 120.625 120.570 -0.068 0.000 2.252 641 I HA -0.214 3.959 4.170 0.005 0.000 0.245 641 I C 2.557 178.616 176.117 -0.097 0.000 1.102 641 I CA 0.788 62.056 61.300 -0.054 0.000 1.385 641 I CB -0.134 37.858 38.000 -0.014 0.000 1.064 641 I HN -0.076 nan 8.210 nan 0.000 0.414 642 R N 1.314 121.723 120.500 -0.153 0.000 2.115 642 R HA -0.139 4.203 4.340 0.005 0.000 0.230 642 R C 2.244 178.355 176.300 -0.315 0.000 1.111 642 R CA 1.214 57.197 56.100 -0.196 0.000 0.976 642 R CB 0.014 30.220 30.300 -0.158 0.000 0.870 642 R HN 0.212 nan 8.270 nan 0.000 0.445 643 K N -0.089 120.002 120.400 -0.515 0.000 2.057 643 K HA -0.162 4.161 4.320 0.005 0.000 0.207 643 K C 2.174 178.659 176.600 -0.191 0.000 1.049 643 K CA 1.379 57.403 56.287 -0.439 0.000 0.931 643 K CB 0.035 32.266 32.500 -0.449 0.000 0.714 643 K HN 0.242 nan 8.250 nan 0.000 0.440 644 Q N 0.699 120.429 119.800 -0.117 0.000 2.084 644 Q HA -0.125 4.218 4.340 0.005 0.000 0.202 644 Q C 2.270 178.332 176.000 0.104 0.000 0.978 644 Q CA 1.198 56.998 55.803 -0.005 0.000 0.844 644 Q CB -0.320 28.438 28.738 0.032 0.000 0.898 644 Q HN 0.377 nan 8.270 nan 0.000 0.426 645 L N 0.167 121.420 121.223 0.051 0.000 2.042 645 L HA -0.214 4.128 4.340 0.005 0.000 0.210 645 L C 2.440 179.354 176.870 0.072 0.000 1.076 645 L CA 1.047 55.928 54.840 0.069 0.000 0.749 645 L CB -0.612 41.434 42.059 -0.022 0.000 0.893 645 L HN 0.183 nan 8.230 nan 0.000 0.432 646 L N -0.698 120.517 121.223 -0.013 0.000 2.156 646 L HA -0.150 4.193 4.340 0.005 0.000 0.208 646 L C 2.440 179.311 176.870 0.001 0.000 1.095 646 L CA 0.897 55.723 54.840 -0.023 0.000 0.770 646 L CB -0.439 41.569 42.059 -0.085 0.000 0.914 646 L HN 0.237 nan 8.230 nan 0.000 0.439 647 E N -0.661 119.535 120.200 -0.006 0.000 2.160 647 E HA -0.238 4.115 4.350 0.005 0.000 0.195 647 E C 2.028 178.624 176.600 -0.007 0.000 0.991 647 E CA 1.347 57.731 56.400 -0.025 0.000 0.810 647 E CB -0.069 29.587 29.700 -0.075 0.000 0.742 647 E HN 0.479 nan 8.360 nan 0.000 0.466 648 Y N 0.995 121.291 120.300 -0.007 0.000 2.220 648 Y HA -0.168 4.385 4.550 0.004 0.000 0.291 648 Y C 1.970 177.882 175.900 0.020 0.000 1.129 648 Y CA 1.250 59.359 58.100 0.015 0.000 1.161 648 Y CB 0.051 38.444 38.460 -0.111 0.000 0.997 648 Y HN 0.010 nan 8.280 nan 0.000 0.522 649 D N -0.173 120.315 120.400 0.148 0.000 2.182 649 D HA -0.165 4.478 4.640 0.005 0.000 0.201 649 D C 1.480 177.801 176.300 0.034 0.000 0.986 649 D CA 1.473 55.514 54.000 0.068 0.000 0.847 649 D CB -0.340 40.481 40.800 0.035 0.000 0.942 649 D HN 0.319 nan 8.370 nan 0.000 0.467 650 D N -0.488 119.930 120.400 0.029 0.000 2.224 650 D HA -0.063 4.580 4.640 0.005 0.000 0.205 650 D C 2.167 178.477 176.300 0.017 0.000 0.965 650 D CA 0.184 54.197 54.000 0.021 0.000 0.852 650 D CB -0.013 40.802 40.800 0.025 0.000 0.947 650 D HN 0.065 nan 8.370 nan 0.000 0.494 651 V N 1.218 121.118 119.914 -0.024 0.000 2.261 651 V HA -0.254 3.869 4.120 0.005 0.000 0.246 651 V C 2.495 178.409 176.094 -0.300 0.000 1.047 651 V CA 1.972 64.124 62.300 -0.248 0.000 1.015 651 V CB -0.814 30.840 31.823 -0.282 0.000 0.642 651 V HN 0.205 nan 8.190 nan 0.000 0.446 652 A N 0.214 122.964 122.820 -0.117 0.000 1.930 652 A HA -0.237 4.086 4.320 0.005 0.000 0.217 652 A C 2.071 179.638 177.584 -0.027 0.000 1.175 652 A CA 2.050 54.053 52.037 -0.056 0.000 0.627 652 A CB -0.824 18.172 19.000 -0.007 0.000 0.815 652 A HN 0.599 nan 8.150 nan 0.000 0.443 653 N N 0.416 119.101 118.700 -0.026 0.000 2.104 653 N HA -0.166 4.577 4.740 0.005 0.000 0.190 653 N C 1.136 176.614 175.510 -0.053 0.000 1.024 653 N CA 1.983 55.018 53.050 -0.025 0.000 0.853 653 N CB -0.285 38.197 38.487 -0.008 0.000 1.008 653 N HN 0.391 nan 8.380 nan 0.000 0.424 654 D N -0.017 120.360 120.400 -0.039 0.000 2.117 654 D HA -0.106 4.537 4.640 0.005 0.000 0.198 654 D C 1.910 178.127 176.300 -0.140 0.000 0.982 654 D CA 0.905 54.901 54.000 -0.005 0.000 0.828 654 D CB -0.277 40.637 40.800 0.189 0.000 0.967 654 D HN 0.522 nan 8.370 nan 0.000 0.464 655 Q N 0.002 119.619 119.800 -0.306 0.000 2.119 655 Q HA -0.058 4.285 4.340 0.005 0.000 0.201 655 Q C 2.244 178.005 176.000 -0.399 0.000 0.972 655 Q CA 0.664 56.058 55.803 -0.681 0.000 0.847 655 Q CB 0.085 28.397 28.738 -0.710 0.000 0.903 655 Q HN 0.164 nan 8.270 nan 0.000 0.433 656 R N 1.101 121.459 120.500 -0.237 0.000 2.073 656 R HA -0.054 4.289 4.340 0.005 0.000 0.229 656 R C 2.197 178.208 176.300 -0.482 0.000 1.120 656 R CA 0.859 56.660 56.100 -0.499 0.000 0.967 656 R CB 0.029 30.177 30.300 -0.253 0.000 0.862 656 R HN 0.138 nan 8.270 nan 0.000 0.436 657 R N -0.069 120.297 120.500 -0.222 0.000 2.083 657 R HA -0.143 4.199 4.340 0.005 0.000 0.237 657 R C 2.221 178.486 176.300 -0.059 0.000 1.137 657 R CA 1.718 57.760 56.100 -0.097 0.000 0.951 657 R CB -0.307 29.968 30.300 -0.041 0.000 0.851 657 R HN 0.270 nan 8.270 nan 0.000 0.434 658 A N 0.684 123.469 122.820 -0.058 0.000 1.873 658 A HA -0.163 4.159 4.320 0.005 0.000 0.215 658 A C 2.019 179.621 177.584 0.029 0.000 1.186 658 A CA 1.154 53.218 52.037 0.045 0.000 0.616 658 A CB -0.389 18.722 19.000 0.184 0.000 0.823 658 A HN 0.271 nan 8.150 nan 0.000 0.442 659 I N -1.992 118.534 120.570 -0.073 0.000 2.439 659 I HA -0.128 4.045 4.170 0.005 0.000 0.251 659 I C 2.001 178.089 176.117 -0.048 0.000 1.139 659 I CA 1.077 62.294 61.300 -0.138 0.000 1.438 659 I CB -0.309 37.430 38.000 -0.435 0.000 1.085 659 I HN 0.389 nan 8.210 nan 0.000 0.427 660 Y N -0.521 119.629 120.300 -0.250 0.000 2.337 660 Y HA -0.046 4.508 4.550 0.005 0.000 0.293 660 Y C 2.907 178.734 175.900 -0.122 0.000 1.123 660 Y CA 0.893 58.876 58.100 -0.195 0.000 1.201 660 Y CB -1.139 37.244 38.460 -0.129 0.000 1.011 660 Y HN 0.187 nan 8.280 nan 0.000 0.545 661 S N -0.197 115.553 115.700 0.084 0.000 2.356 661 S HA -0.279 4.194 4.470 0.005 0.000 0.223 661 S C 2.150 176.749 174.600 -0.003 0.000 1.032 661 S CA 1.748 59.969 58.200 0.034 0.000 1.005 661 S CB -0.278 62.941 63.200 0.031 0.000 0.867 661 S HN 0.631 nan 8.310 nan 0.000 0.449 662 Q N 0.345 120.139 119.800 -0.010 0.000 2.135 662 Q HA -0.151 4.191 4.340 0.005 0.000 0.204 662 Q C 2.366 178.330 176.000 -0.060 0.000 0.981 662 Q CA 1.489 57.272 55.803 -0.033 0.000 0.856 662 Q CB -0.187 28.532 28.738 -0.033 0.000 0.902 662 Q HN 0.503 nan 8.270 nan 0.000 0.425 663 R N -0.266 120.187 120.500 -0.078 0.000 2.090 663 R HA -0.052 4.290 4.340 0.005 0.000 0.228 663 R C 1.551 177.760 176.300 -0.152 0.000 1.110 663 R CA 1.650 57.668 56.100 -0.137 0.000 0.973 663 R CB -0.006 30.180 30.300 -0.190 0.000 0.869 663 R HN 0.429 nan 8.270 nan 0.000 0.440 664 N N -0.172 118.453 118.700 -0.124 0.000 2.354 664 N HA -0.104 4.639 4.740 0.005 0.000 0.179 664 N C 1.228 176.690 175.510 -0.079 0.000 1.021 664 N CA 0.773 53.756 53.050 -0.111 0.000 0.887 664 N CB 0.190 38.624 38.487 -0.089 0.000 0.974 664 N HN 0.297 nan 8.380 nan 0.000 0.437 665 E N 0.928 121.091 120.200 -0.063 0.000 2.031 665 E HA -0.132 4.221 4.350 0.005 0.000 0.193 665 E C 1.864 178.427 176.600 -0.061 0.000 0.994 665 E CA 0.816 57.185 56.400 -0.051 0.000 0.800 665 E CB -0.053 29.623 29.700 -0.039 0.000 0.752 665 E HN 0.299 nan 8.360 nan 0.000 0.447 666 L N 0.468 121.645 121.223 -0.076 0.000 1.989 666 L HA -0.221 4.122 4.340 0.005 0.000 0.211 666 L C 2.580 179.394 176.870 -0.094 0.000 1.071 666 L CA 0.649 55.438 54.840 -0.085 0.000 0.749 666 L CB -0.469 41.528 42.059 -0.103 0.000 0.890 666 L HN 0.200 nan 8.230 nan 0.000 0.431 667 L N 0.008 121.161 121.223 -0.117 0.000 2.079 667 L HA -0.250 4.092 4.340 0.005 0.000 0.210 667 L C 1.956 178.783 176.870 -0.071 0.000 1.081 667 L CA 1.858 56.630 54.840 -0.114 0.000 0.752 667 L CB -0.731 41.238 42.059 -0.149 0.000 0.896 667 L HN 0.241 nan 8.230 nan 0.000 0.433 668 D N -1.429 118.933 120.400 -0.063 0.000 2.347 668 D HA 0.021 4.664 4.640 0.005 0.000 0.215 668 D C 0.378 176.658 176.300 -0.033 0.000 0.976 668 D CA 0.269 54.243 54.000 -0.042 0.000 0.884 668 D CB 0.236 41.013 40.800 -0.039 0.000 0.915 668 D HN 0.076 nan 8.370 nan 0.000 0.526 669 V N 1.028 120.916 119.914 -0.043 0.000 2.406 669 V HA 0.030 4.152 4.120 0.005 0.000 0.272 669 V C 1.221 177.279 176.094 -0.061 0.000 1.043 669 V CA 0.040 62.314 62.300 -0.044 0.000 0.915 669 V CB 1.732 33.528 31.823 -0.046 0.000 0.988 669 V HN -0.018 nan 8.190 nan 0.000 0.466 670 S N 3.214 118.881 115.700 -0.055 0.000 2.453 670 S HA -0.032 4.441 4.470 0.005 0.000 0.231 670 S C 0.599 175.084 174.600 -0.191 0.000 1.005 670 S CA 0.697 58.836 58.200 -0.101 0.000 0.949 670 S CB -0.051 63.138 63.200 -0.018 0.000 0.774 670 S HN 0.873 nan 8.310 nan 0.000 0.510 671 D N 0.368 120.705 120.400 -0.105 0.000 2.505 671 D HA 0.292 4.935 4.640 0.005 0.000 0.250 671 D C -0.189 176.076 176.300 -0.059 0.000 1.164 671 D CA -0.356 53.592 54.000 -0.085 0.000 0.870 671 D CB 1.686 42.461 40.800 -0.042 0.000 1.160 671 D HN -0.136 nan 8.370 nan 0.000 0.549 672 V N 3.269 123.149 119.914 -0.056 0.000 3.542 672 V HA -0.010 4.113 4.120 0.005 0.000 0.296 672 V C 2.045 178.129 176.094 -0.018 0.000 1.364 672 V CA 0.454 62.730 62.300 -0.040 0.000 1.118 672 V CB 0.324 32.118 31.823 -0.049 0.000 0.972 672 V HN 0.557 nan 8.190 nan 0.000 0.430 673 S N 0.599 116.297 115.700 -0.004 0.000 2.368 673 S HA -0.244 4.229 4.470 0.005 0.000 0.225 673 S C 2.041 176.643 174.600 0.003 0.000 1.030 673 S CA 2.227 60.438 58.200 0.018 0.000 0.999 673 S CB -0.044 63.175 63.200 0.033 0.000 0.844 673 S HN 0.842 nan 8.310 nan 0.000 0.459 674 E N -0.272 119.925 120.200 -0.005 0.000 2.152 674 E HA -0.118 4.234 4.350 0.005 0.000 0.192 674 E C 1.749 178.340 176.600 -0.016 0.000 0.983 674 E CA 1.529 57.923 56.400 -0.010 0.000 0.818 674 E CB -0.410 29.284 29.700 -0.010 0.000 0.758 674 E HN 0.456 nan 8.360 nan 0.000 0.467 675 T N 2.118 116.660 114.554 -0.019 0.000 2.674 675 T HA -0.135 4.218 4.350 0.005 0.000 0.265 675 T C 1.929 176.615 174.700 -0.024 0.000 1.039 675 T CA 1.389 63.476 62.100 -0.022 0.000 1.150 675 T CB -0.142 68.710 68.868 -0.027 0.000 0.864 675 T HN 0.166 nan 8.240 nan 0.000 0.427 676 I N 2.401 122.954 120.570 -0.027 0.000 2.185 676 I HA -0.205 3.968 4.170 0.005 0.000 0.246 676 I C 2.163 178.249 176.117 -0.052 0.000 1.088 676 I CA 1.473 62.748 61.300 -0.041 0.000 1.347 676 I CB -1.255 36.716 38.000 -0.049 0.000 1.041 676 I HN 0.277 nan 8.210 nan 0.000 0.415 677 N N 0.273 118.948 118.700 -0.042 0.000 2.142 677 N HA -0.146 4.597 4.740 0.005 0.000 0.186 677 N C 2.074 177.563 175.510 -0.036 0.000 1.023 677 N CA 1.607 54.628 53.050 -0.048 0.000 0.852 677 N CB -0.416 38.050 38.487 -0.034 0.000 0.998 677 N HN 0.305 nan 8.380 nan 0.000 0.424 678 S N 1.435 117.121 115.700 -0.023 0.000 2.355 678 S HA -0.036 4.437 4.470 0.005 0.000 0.222 678 S C 2.076 176.675 174.600 -0.002 0.000 1.031 678 S CA 0.913 59.104 58.200 -0.014 0.000 0.993 678 S CB -0.347 62.846 63.200 -0.013 0.000 0.859 678 S HN 0.382 nan 8.310 nan 0.000 0.453 679 I N 0.241 120.811 120.570 -0.002 0.000 2.264 679 I HA -0.172 4.001 4.170 0.005 0.000 0.248 679 I C 2.601 178.746 176.117 0.046 0.000 1.111 679 I CA 1.887 63.198 61.300 0.018 0.000 1.382 679 I CB -0.728 37.281 38.000 0.015 0.000 1.060 679 I HN 0.270 nan 8.210 nan 0.000 0.418 680 R N 1.418 121.937 120.500 0.031 0.000 2.091 680 R HA -0.181 4.161 4.340 0.005 0.000 0.238 680 R C 2.200 178.586 176.300 0.143 0.000 1.136 680 R CA 1.896 58.050 56.100 0.091 0.000 0.959 680 R CB -0.185 30.101 30.300 -0.023 0.000 0.856 680 R HN 0.517 nan 8.270 nan 0.000 0.437 681 E N 0.075 120.303 120.200 0.047 0.000 2.047 681 E HA -0.177 4.176 4.350 0.005 0.000 0.191 681 E C 1.626 178.271 176.600 0.075 0.000 0.987 681 E CA 1.406 57.831 56.400 0.043 0.000 0.799 681 E CB -0.053 29.648 29.700 0.000 0.000 0.752 681 E HN 0.409 nan 8.360 nan 0.000 0.449 682 D N 0.354 120.788 120.400 0.056 0.000 2.106 682 D HA -0.160 4.483 4.640 0.005 0.000 0.191 682 D C 2.099 178.443 176.300 0.074 0.000 0.997 682 D CA 1.088 55.118 54.000 0.050 0.000 0.834 682 D CB -0.398 40.422 40.800 0.034 0.000 0.956 682 D HN 0.044 nan 8.370 nan 0.000 0.448 683 V N 0.156 120.132 119.914 0.103 0.000 2.358 683 V HA -0.189 3.934 4.120 0.005 0.000 0.246 683 V C 2.204 178.325 176.094 0.044 0.000 1.047 683 V CA 1.243 63.611 62.300 0.114 0.000 1.035 683 V CB -0.609 31.303 31.823 0.148 0.000 0.658 683 V HN 0.075 nan 8.190 nan 0.000 0.452 684 F N 0.237 120.161 119.950 -0.043 0.000 2.325 684 F HA -0.041 4.488 4.527 0.005 0.000 0.299 684 F C 2.414 178.190 175.800 -0.040 0.000 1.090 684 F CA 1.619 59.562 58.000 -0.096 0.000 1.392 684 F CB -0.121 38.773 39.000 -0.177 0.000 1.053 684 F HN -0.002 nan 8.300 nan 0.000 0.521 685 K N 0.573 121.045 120.400 0.120 0.000 1.984 685 K HA -0.150 4.173 4.320 0.005 0.000 0.209 685 K C 2.335 178.958 176.600 0.039 0.000 1.046 685 K CA 1.248 57.570 56.287 0.059 0.000 0.934 685 K CB -0.400 32.121 32.500 0.036 0.000 0.717 685 K HN 0.171 nan 8.250 nan 0.000 0.438 686 A N 0.642 123.483 122.820 0.036 0.000 1.908 686 A HA -0.162 4.161 4.320 0.005 0.000 0.218 686 A C 2.202 179.806 177.584 0.034 0.000 1.181 686 A CA 2.336 54.384 52.037 0.019 0.000 0.627 686 A CB -1.103 17.903 19.000 0.011 0.000 0.818 686 A HN 0.473 nan 8.150 nan 0.000 0.445 687 T N -0.028 114.563 114.554 0.061 0.000 2.788 687 T HA -0.061 4.292 4.350 0.005 0.000 0.268 687 T C 1.729 176.556 174.700 0.212 0.000 1.044 687 T CA 1.555 63.728 62.100 0.122 0.000 1.139 687 T CB -0.331 68.589 68.868 0.086 0.000 0.867 687 T HN 0.456 nan 8.240 nan 0.000 0.454 688 I N 0.577 121.226 120.570 0.131 0.000 2.400 688 I HA -0.069 4.104 4.170 0.005 0.000 0.248 688 I C 2.240 178.416 176.117 0.098 0.000 1.109 688 I CA 0.631 62.013 61.300 0.135 0.000 1.425 688 I CB -0.289 37.727 38.000 0.027 0.000 1.094 688 I HN 0.054 nan 8.210 nan 0.000 0.425 689 D N 1.855 122.273 120.400 0.031 0.000 2.191 689 D HA -0.249 4.394 4.640 0.005 0.000 0.190 689 D C 1.858 178.141 176.300 -0.028 0.000 1.007 689 D CA 1.835 55.831 54.000 -0.007 0.000 0.865 689 D CB -0.255 40.536 40.800 -0.015 0.000 0.929 689 D HN 0.351 nan 8.370 nan 0.000 0.447 690 A N -1.527 121.248 122.820 -0.074 0.000 2.176 690 A HA 0.038 4.361 4.320 0.005 0.000 0.214 690 A C 0.239 177.488 177.584 -0.558 0.000 1.327 690 A CA 0.559 52.420 52.037 -0.294 0.000 1.015 690 A CB -0.583 18.178 19.000 -0.399 0.000 0.818 690 A HN 0.378 nan 8.150 nan 0.000 0.500 691 Y N -2.507 117.785 120.300 -0.014 0.000 2.773 691 Y HA 0.274 4.827 4.550 0.005 0.000 0.263 691 Y C 0.321 176.226 175.900 0.009 0.000 1.106 691 Y CA -0.852 57.249 58.100 0.003 0.000 1.153 691 Y CB 0.417 38.871 38.460 -0.009 0.000 1.388 691 Y HN 0.081 nan 8.280 nan 0.000 0.514 692 I N 4.691 125.314 120.570 0.088 0.000 2.312 692 I HA 0.325 4.498 4.170 0.005 0.000 0.290 692 I C -2.642 173.448 176.117 -0.046 0.000 1.008 692 I CA -1.932 59.294 61.300 -0.123 0.000 1.226 692 I CB 1.593 39.268 38.000 -0.541 0.000 1.371 692 I HN -0.208 nan 8.210 nan 0.000 0.468 693 P HA 0.293 nan 4.420 nan 0.000 0.287 693 P C -2.530 174.805 177.300 0.057 0.000 1.281 693 P CA -1.948 61.190 63.100 0.064 0.000 0.781 693 P CB 0.170 31.935 31.700 0.108 0.000 0.903 694 P HA -0.108 nan 4.420 nan 0.000 0.263 694 P C 0.390 177.726 177.300 0.060 0.000 1.168 694 P CA 0.967 64.078 63.100 0.018 0.000 0.759 694 P CB -0.037 31.667 31.700 0.007 0.000 0.782 695 Q N -1.704 118.139 119.800 0.071 0.000 2.494 695 Q HA -0.207 4.136 4.340 0.005 0.000 0.266 695 Q C 0.201 176.285 176.000 0.140 0.000 1.053 695 Q CA 1.124 56.981 55.803 0.089 0.000 1.029 695 Q CB -2.031 26.738 28.738 0.050 0.000 1.423 695 Q HN 0.566 nan 8.270 nan 0.000 0.516 696 S N -0.396 115.453 115.700 0.249 0.000 2.713 696 S HA 0.658 5.131 4.470 0.005 0.000 0.283 696 S C 0.092 174.933 174.600 0.401 0.000 1.161 696 S CA -0.770 57.625 58.200 0.325 0.000 0.999 696 S CB 0.899 64.350 63.200 0.418 0.000 1.039 696 S HN 0.237 nan 8.310 nan 0.000 0.548 697 L N 2.849 124.134 121.223 0.104 0.000 2.371 697 L HA 0.426 4.769 4.340 0.005 0.000 0.272 697 L C 1.783 178.101 176.870 -0.920 0.000 1.124 697 L CA 0.111 54.812 54.840 -0.232 0.000 0.816 697 L CB 0.298 42.261 42.059 -0.160 0.000 1.129 697 L HN 0.894 nan 8.230 nan 0.000 0.448 698 E N 1.787 121.186 120.200 -1.336 0.000 2.160 698 E HA -0.164 4.189 4.350 0.005 0.000 0.195 698 E C 0.301 176.418 176.600 -0.806 0.000 0.991 698 E CA 0.681 56.040 56.400 -1.735 0.000 0.810 698 E CB 0.264 29.363 29.700 -1.002 0.000 0.742 698 E HN 0.739 nan 8.360 nan 0.000 0.466 702 D N 1.046 121.620 120.400 0.290 0.000 2.732 702 D HA 0.584 5.227 4.640 0.005 0.000 0.229 702 D C -0.008 176.348 176.300 0.093 0.000 1.152 702 D CA -0.531 53.578 54.000 0.182 0.000 0.854 702 D CB 2.267 43.183 40.800 0.192 0.000 1.590 702 D HN 0.366 nan 8.370 nan 0.000 0.468 703 I N -2.251 118.337 120.570 0.031 0.000 4.338 703 I HA 0.258 4.430 4.170 0.005 0.000 0.315 703 I C -1.278 174.802 176.117 -0.061 0.000 1.262 703 I CA -0.736 60.525 61.300 -0.065 0.000 1.298 703 I CB -0.784 37.168 38.000 -0.080 0.000 1.257 703 I HN 0.154 nan 8.210 nan 0.000 0.444 704 P HA -0.200 nan 4.420 nan 0.000 0.219 704 P C 1.606 178.912 177.300 0.009 0.000 1.153 704 P CA 2.646 65.748 63.100 0.004 0.000 0.865 704 P CB -0.187 31.530 31.700 0.029 0.000 0.788 705 G N -2.087 106.741 108.800 0.047 0.000 2.656 705 G HA2 -0.042 3.920 3.960 0.005 0.000 0.211 705 G HA3 -0.042 3.920 3.960 0.005 0.000 0.211 705 G C 1.221 176.029 174.900 -0.153 0.000 1.137 705 G CA 0.045 45.196 45.100 0.086 0.000 0.802 705 G HN 0.173 nan 8.290 nan 0.000 0.527 706 L N 0.798 121.690 121.223 -0.552 0.000 1.938 706 L HA 0.004 4.347 4.340 0.005 0.000 0.212 706 L C 2.651 179.273 176.870 -0.413 0.000 1.085 706 L CA 2.703 56.968 54.840 -0.959 0.000 0.760 706 L CB -1.244 40.314 42.059 -0.835 0.000 0.888 706 L HN 0.377 nan 8.230 nan 0.000 0.433 707 Q N -0.610 119.025 119.800 -0.276 0.000 2.135 707 Q HA -0.418 3.925 4.340 0.005 0.000 0.218 707 Q C 2.012 177.943 176.000 -0.114 0.000 1.058 707 Q CA 3.110 58.808 55.803 -0.174 0.000 0.926 707 Q CB -0.451 28.198 28.738 -0.150 0.000 1.065 707 Q HN 0.649 nan 8.270 nan 0.000 0.433 708 E N -0.077 120.065 120.200 -0.097 0.000 2.038 708 E HA -0.205 4.148 4.350 0.005 0.000 0.195 708 E C 1.948 178.526 176.600 -0.037 0.000 1.000 708 E CA 1.776 58.146 56.400 -0.051 0.000 0.803 708 E CB -0.324 29.358 29.700 -0.030 0.000 0.750 708 E HN 0.389 nan 8.360 nan 0.000 0.448 709 R N 0.267 120.730 120.500 -0.061 0.000 2.096 709 R HA -0.143 4.200 4.340 0.005 0.000 0.240 709 R C 2.227 178.562 176.300 0.059 0.000 1.139 709 R CA 1.476 57.577 56.100 0.002 0.000 0.952 709 R CB -0.663 29.658 30.300 0.036 0.000 0.854 709 R HN 0.204 nan 8.270 nan 0.000 0.436 710 L N 0.114 121.381 121.223 0.074 0.000 2.012 710 L HA -0.193 4.149 4.340 0.005 0.000 0.210 710 L C 2.423 179.402 176.870 0.183 0.000 1.073 710 L CA 1.878 56.851 54.840 0.222 0.000 0.748 710 L CB -0.303 41.815 42.059 0.098 0.000 0.891 710 L HN 0.194 nan 8.230 nan 0.000 0.431 711 K N -0.571 119.872 120.400 0.072 0.000 2.097 711 K HA -0.099 4.224 4.320 0.005 0.000 0.205 711 K C 1.956 178.572 176.600 0.026 0.000 1.050 711 K CA 1.024 57.345 56.287 0.056 0.000 0.938 711 K CB -0.103 32.410 32.500 0.022 0.000 0.718 711 K HN 0.239 nan 8.250 nan 0.000 0.442 712 N N 0.990 119.686 118.700 -0.007 0.000 2.142 712 N HA -0.112 4.630 4.740 0.005 0.000 0.186 712 N C 0.728 176.164 175.510 -0.124 0.000 1.023 712 N CA 1.343 54.365 53.050 -0.045 0.000 0.852 712 N CB 0.007 38.475 38.487 -0.032 0.000 0.998 712 N HN 0.198 nan 8.380 nan 0.000 0.424 713 D N -1.341 118.902 120.400 -0.263 0.000 2.389 713 D HA 0.107 4.750 4.640 0.005 0.000 0.206 713 D C 0.408 176.194 176.300 -0.856 0.000 1.055 713 D CA 0.235 53.845 54.000 -0.650 0.000 0.856 713 D CB 0.109 40.247 40.800 -1.104 0.000 0.957 713 D HN 0.204 nan 8.370 nan 0.000 0.509 714 F N 0.254 120.176 119.950 -0.045 0.000 2.856 714 F HA 0.155 4.685 4.527 0.004 0.000 0.338 714 F C 0.036 175.862 175.800 0.042 0.000 1.100 714 F CA -0.669 57.327 58.000 -0.006 0.000 1.150 714 F CB 0.410 39.420 39.000 0.016 0.000 1.101 714 F HN -0.337 nan 8.300 nan 0.000 0.548 715 D N 1.662 122.150 120.400 0.147 0.000 2.702 715 D HA -0.202 4.441 4.640 0.005 0.000 0.233 715 D C -0.490 175.902 176.300 0.153 0.000 1.164 715 D CA 0.731 54.803 54.000 0.119 0.000 0.638 715 D CB -0.851 40.011 40.800 0.103 0.000 1.041 715 D HN 0.154 nan 8.370 nan 0.000 0.422 716 L N 1.101 122.436 121.223 0.187 0.000 2.353 716 L HA 0.323 4.666 4.340 0.005 0.000 0.270 716 L C -0.650 176.296 176.870 0.126 0.000 1.003 716 L CA -0.467 54.480 54.840 0.177 0.000 0.862 716 L CB 1.589 43.787 42.059 0.231 0.000 1.221 716 L HN -0.162 nan 8.230 nan 0.000 0.430 717 D N 5.231 125.694 120.400 0.104 0.000 2.467 717 D HA 0.255 4.898 4.640 0.005 0.000 0.220 717 D C -1.128 175.224 176.300 0.086 0.000 1.103 717 D CA -0.294 53.746 54.000 0.068 0.000 0.886 717 D CB 0.757 41.595 40.800 0.063 0.000 1.025 717 D HN 0.254 nan 8.370 nan 0.000 0.514 718 L N 5.930 127.158 121.223 0.009 0.000 2.426 718 L HA 0.356 4.699 4.340 0.005 0.000 0.255 718 L C -2.131 174.396 176.870 -0.571 0.000 1.080 718 L CA -2.133 52.662 54.840 -0.074 0.000 0.960 718 L CB 0.977 43.036 42.059 0.000 0.000 1.326 718 L HN 0.109 nan 8.230 nan 0.000 0.441 719 P HA 0.059 nan 4.420 nan 0.000 0.248 719 P C 1.233 178.036 177.300 -0.828 0.000 1.550 719 P CA 0.544 63.387 63.100 -0.429 0.000 1.252 719 P CB 0.081 31.707 31.700 -0.123 0.000 1.869 720 I N 1.534 121.564 120.570 -0.900 0.000 2.876 720 I HA -0.111 4.062 4.170 0.005 0.000 0.264 720 I C 1.969 177.773 176.117 -0.522 0.000 1.204 720 I CA 0.662 61.217 61.300 -1.242 0.000 1.485 720 I CB 0.082 37.550 38.000 -0.887 0.000 1.103 720 I HN 0.181 nan 8.210 nan 0.000 0.446 721 A N 1.548 124.209 122.820 -0.266 0.000 1.929 721 A HA -0.337 3.986 4.320 0.005 0.000 0.221 721 A C 2.229 179.830 177.584 0.028 0.000 1.211 721 A CA 2.612 54.608 52.037 -0.069 0.000 0.657 721 A CB -0.877 18.097 19.000 -0.044 0.000 0.827 721 A HN 0.740 nan 8.150 nan 0.000 0.462 722 E N -1.972 118.269 120.200 0.068 0.000 2.122 722 E HA -0.177 4.176 4.350 0.005 0.000 0.190 722 E C 2.024 178.823 176.600 0.332 0.000 0.977 722 E CA 0.369 56.883 56.400 0.191 0.000 0.820 722 E CB -0.738 29.087 29.700 0.208 0.000 0.770 722 E HN 0.843 nan 8.360 nan 0.000 0.462 723 W N 1.663 122.983 121.300 0.032 0.000 2.244 723 W HA -0.282 4.380 4.660 0.004 0.000 0.336 723 W C 2.221 178.761 176.519 0.036 0.000 1.352 723 W CA 0.837 58.200 57.345 0.030 0.000 1.343 723 W CB -0.283 29.198 29.460 0.035 0.000 1.111 723 W HN 0.137 nan 8.180 nan 0.000 0.481 724 L N -1.219 120.185 121.223 0.301 0.000 2.477 724 L HA 0.010 4.353 4.340 0.005 0.000 0.220 724 L C 0.976 177.923 176.870 0.129 0.000 1.106 724 L CA 0.631 55.591 54.840 0.201 0.000 0.851 724 L CB -0.657 41.540 42.059 0.230 0.000 0.994 724 L HN -0.169 nan 8.230 nan 0.000 0.462 725 D N -0.378 120.093 120.400 0.118 0.000 2.354 725 D HA -0.044 4.599 4.640 0.005 0.000 0.209 725 D C 2.056 178.397 176.300 0.069 0.000 1.015 725 D CA 0.424 54.469 54.000 0.076 0.000 0.867 725 D CB 0.334 41.172 40.800 0.063 0.000 0.933 725 D HN -0.014 nan 8.370 nan 0.000 0.520 726 K N 0.858 121.311 120.400 0.089 0.000 2.287 726 K HA 0.038 4.361 4.320 0.005 0.000 0.199 726 K C 0.223 176.848 176.600 0.042 0.000 1.061 726 K CA 0.484 56.811 56.287 0.066 0.000 0.976 726 K CB 0.693 33.243 32.500 0.084 0.000 0.898 726 K HN 0.260 nan 8.250 nan 0.000 0.492 727 E N 2.198 122.429 120.200 0.052 0.000 2.751 727 E HA 0.248 4.601 4.350 0.005 0.000 0.219 727 E C -2.623 173.986 176.600 0.016 0.000 1.060 727 E CA -2.037 54.374 56.400 0.018 0.000 0.893 727 E CB 1.062 30.760 29.700 -0.004 0.000 1.300 727 E HN -0.096 nan 8.360 nan 0.000 0.433 728 P HA 0.149 nan 4.420 nan 0.000 0.262 728 P C -0.508 176.764 177.300 -0.046 0.000 1.620 728 P CA 0.069 63.169 63.100 0.002 0.000 1.089 728 P CB 0.468 32.178 31.700 0.016 0.000 1.601 729 E N 1.904 122.021 120.200 -0.139 0.000 1.532 729 E HA -0.128 4.225 4.350 0.005 0.000 0.234 729 E C 1.484 177.688 176.600 -0.661 0.000 1.061 729 E CA -0.263 55.948 56.400 -0.316 0.000 1.424 729 E CB -1.498 28.111 29.700 -0.150 0.000 4.305 729 E HN 0.115 nan 8.360 nan 0.000 0.816 730 L N 0.289 121.325 121.223 -0.311 0.000 2.158 730 L HA -0.051 4.292 4.340 0.005 0.000 0.249 730 L C 0.722 177.486 176.870 -0.176 0.000 1.097 730 L CA 2.029 56.758 54.840 -0.185 0.000 0.844 730 L CB -1.409 40.629 42.059 -0.035 0.000 0.940 730 L HN 0.493 nan 8.230 nan 0.000 0.436 731 H N -4.081 115.057 119.070 0.112 0.000 2.906 731 H HA -0.037 4.522 4.556 0.005 0.000 0.230 731 H C 0.324 175.740 175.328 0.147 0.000 1.346 731 H CA -0.077 56.064 56.048 0.156 0.000 1.237 731 H CB -0.221 29.616 29.762 0.126 0.000 1.787 731 H HN 0.398 nan 8.280 nan 0.000 0.400 732 E N 0.537 120.946 120.200 0.348 0.000 2.147 732 E HA -0.285 4.068 4.350 0.005 0.000 0.199 732 E C 1.429 178.025 176.600 -0.008 0.000 1.005 732 E CA 2.179 58.599 56.400 0.035 0.000 0.810 732 E CB 0.139 29.831 29.700 -0.013 0.000 0.736 732 E HN 0.398 nan 8.360 nan 0.000 0.460 733 E N -0.428 119.811 120.200 0.065 0.000 2.190 733 E HA -0.072 4.281 4.350 0.005 0.000 0.191 733 E C 1.925 178.548 176.600 0.037 0.000 0.978 733 E CA 1.557 57.977 56.400 0.034 0.000 0.839 733 E CB -0.262 29.464 29.700 0.043 0.000 0.787 733 E HN 0.300 nan 8.360 nan 0.000 0.473 734 T N -1.157 113.439 114.554 0.069 0.000 2.995 734 T HA -0.088 4.265 4.350 0.005 0.000 0.269 734 T C 1.788 176.512 174.700 0.041 0.000 1.091 734 T CA 1.100 63.229 62.100 0.048 0.000 1.128 734 T CB -0.255 68.643 68.868 0.051 0.000 0.891 734 T HN 0.238 nan 8.240 nan 0.000 0.492 735 L N -0.642 120.613 121.223 0.054 0.000 2.202 735 L HA 0.462 4.804 4.340 0.005 0.000 0.205 735 L C 2.629 179.511 176.870 0.020 0.000 1.083 735 L CA 0.501 55.378 54.840 0.062 0.000 0.790 735 L CB -0.575 41.541 42.059 0.094 0.000 0.942 735 L HN -0.063 nan 8.230 nan 0.000 0.452 736 R N 0.685 121.172 120.500 -0.021 0.000 2.132 736 R HA -0.233 4.110 4.340 0.005 0.000 0.233 736 R C 2.236 178.523 176.300 -0.022 0.000 1.125 736 R CA 2.412 58.492 56.100 -0.033 0.000 0.914 736 R CB -0.790 29.484 30.300 -0.044 0.000 0.845 736 R HN 0.530 nan 8.270 nan 0.000 0.431 737 E N -0.127 120.059 120.200 -0.024 0.000 2.172 737 E HA -0.311 4.042 4.350 0.005 0.000 0.213 737 E C 2.144 178.715 176.600 -0.048 0.000 1.051 737 E CA 1.708 58.086 56.400 -0.036 0.000 0.860 737 E CB -0.145 29.543 29.700 -0.020 0.000 0.755 737 E HN 0.234 nan 8.360 nan 0.000 0.462 738 R N -0.126 120.366 120.500 -0.014 0.000 2.115 738 R HA -0.069 4.274 4.340 0.005 0.000 0.226 738 R C 2.257 178.554 176.300 -0.005 0.000 1.100 738 R CA 0.817 56.916 56.100 -0.001 0.000 0.980 738 R CB 0.009 30.336 30.300 0.046 0.000 0.875 738 R HN 0.163 nan 8.270 nan 0.000 0.445 739 I N 0.066 120.633 120.570 -0.006 0.000 2.233 739 I HA -0.242 3.931 4.170 0.005 0.000 0.243 739 I C 2.111 178.074 176.117 -0.256 0.000 1.093 739 I CA 0.546 61.832 61.300 -0.023 0.000 1.380 739 I CB -0.263 37.772 38.000 0.059 0.000 1.067 739 I HN 0.153 nan 8.210 nan 0.000 0.413 740 L N 1.399 122.389 121.223 -0.389 0.000 2.034 740 L HA -0.310 4.033 4.340 0.005 0.000 0.217 740 L C 2.551 179.191 176.870 -0.384 0.000 1.077 740 L CA 2.411 56.897 54.840 -0.591 0.000 0.769 740 L CB -0.818 41.034 42.059 -0.345 0.000 0.890 740 L HN 0.249 nan 8.230 nan 0.000 0.435 741 A N -1.332 121.362 122.820 -0.209 0.000 1.865 741 A HA -0.271 4.052 4.320 0.005 0.000 0.217 741 A C 2.166 179.687 177.584 -0.105 0.000 1.191 741 A CA 1.851 53.812 52.037 -0.126 0.000 0.623 741 A CB -0.749 18.204 19.000 -0.078 0.000 0.826 741 A HN 0.638 nan 8.150 nan 0.000 0.444 742 Q N 0.216 119.964 119.800 -0.087 0.000 2.096 742 Q HA -0.209 4.134 4.340 0.005 0.000 0.208 742 Q C 2.629 178.598 176.000 -0.052 0.000 0.993 742 Q CA 2.236 58.017 55.803 -0.037 0.000 0.862 742 Q CB -0.967 27.781 28.738 0.016 0.000 0.915 742 Q HN 0.825 nan 8.270 nan 0.000 0.416 743 S N -0.035 115.571 115.700 -0.158 0.000 2.355 743 S HA -0.105 4.367 4.470 0.005 0.000 0.222 743 S C 2.113 176.672 174.600 -0.069 0.000 1.031 743 S CA 0.959 59.066 58.200 -0.155 0.000 0.993 743 S CB -0.452 62.453 63.200 -0.492 0.000 0.859 743 S HN 0.328 nan 8.310 nan 0.000 0.453 744 I N 2.809 123.307 120.570 -0.121 0.000 2.248 744 I HA -0.259 3.914 4.170 0.005 0.000 0.248 744 I C 2.818 178.976 176.117 0.069 0.000 1.107 744 I CA 2.041 63.331 61.300 -0.017 0.000 1.373 744 I CB -0.450 37.509 38.000 -0.069 0.000 1.055 744 I HN 0.669 nan 8.210 nan 0.000 0.418 745 E N 0.569 120.783 120.200 0.023 0.000 2.072 745 E HA -0.155 4.198 4.350 0.005 0.000 0.190 745 E C 2.098 178.728 176.600 0.050 0.000 0.982 745 E CA 1.312 57.728 56.400 0.027 0.000 0.803 745 E CB -0.467 29.234 29.700 0.002 0.000 0.755 745 E HN 0.240 nan 8.360 nan 0.000 0.453 746 V N 0.320 120.277 119.914 0.072 0.000 2.594 746 V HA -0.234 3.889 4.120 0.005 0.000 0.253 746 V C 1.994 178.163 176.094 0.124 0.000 1.069 746 V CA 1.925 64.279 62.300 0.090 0.000 1.082 746 V CB -0.691 31.197 31.823 0.109 0.000 0.680 746 V HN 0.386 nan 8.190 nan 0.000 0.469 747 Y N 0.494 120.799 120.300 0.009 0.000 2.206 747 Y HA -0.189 4.364 4.550 0.004 0.000 0.292 747 Y C 2.742 178.649 175.900 0.012 0.000 1.123 747 Y CA 1.661 59.773 58.100 0.020 0.000 1.142 747 Y CB 0.030 38.500 38.460 0.018 0.000 1.006 747 Y HN 0.211 nan 8.280 nan 0.000 0.518 748 Q N 0.194 120.012 119.800 0.030 0.000 2.112 748 Q HA -0.303 4.040 4.340 0.005 0.000 0.206 748 Q C 2.359 178.312 176.000 -0.079 0.000 0.987 748 Q CA 2.089 57.866 55.803 -0.043 0.000 0.858 748 Q CB -0.377 28.368 28.738 0.012 0.000 0.905 748 Q HN 0.431 nan 8.270 nan 0.000 0.420 749 R N 1.388 121.863 120.500 -0.043 0.000 2.096 749 R HA -0.215 4.127 4.340 0.005 0.000 0.240 749 R C 1.604 177.856 176.300 -0.080 0.000 1.139 749 R CA 1.965 58.039 56.100 -0.044 0.000 0.952 749 R CB -0.098 30.194 30.300 -0.013 0.000 0.854 749 R HN 0.043 nan 8.270 nan 0.000 0.436 750 K N 0.230 120.560 120.400 -0.116 0.000 2.283 750 K HA -0.109 4.214 4.320 0.005 0.000 0.202 750 K C 1.948 178.428 176.600 -0.199 0.000 1.048 750 K CA 1.438 57.636 56.287 -0.148 0.000 0.948 750 K CB 0.040 32.450 32.500 -0.150 0.000 0.742 750 K HN 0.401 nan 8.250 nan 0.000 0.458 751 E N 0.851 120.907 120.200 -0.240 0.000 2.140 751 E HA -0.141 4.211 4.350 0.005 0.000 0.191 751 E C 1.628 178.152 176.600 -0.126 0.000 0.973 751 E CA 0.503 56.769 56.400 -0.224 0.000 0.829 751 E CB 0.207 29.741 29.700 -0.276 0.000 0.781 751 E HN 0.375 nan 8.360 nan 0.000 0.466 752 E N 0.398 120.540 120.200 -0.097 0.000 2.209 752 E HA -0.163 4.190 4.350 0.005 0.000 0.196 752 E C 1.942 178.505 176.600 -0.062 0.000 0.993 752 E CA 1.256 57.618 56.400 -0.064 0.000 0.819 752 E CB -0.116 29.555 29.700 -0.049 0.000 0.745 752 E HN 0.148 nan 8.360 nan 0.000 0.477 753 V N 0.862 120.730 119.914 -0.076 0.000 2.719 753 V HA -0.124 3.999 4.120 0.005 0.000 0.252 753 V C 2.099 178.147 176.094 -0.076 0.000 1.065 753 V CA 1.063 63.321 62.300 -0.070 0.000 1.086 753 V CB 0.503 32.283 31.823 -0.071 0.000 0.700 753 V HN 0.196 nan 8.190 nan 0.000 0.467 754 V N -1.126 118.732 119.914 -0.094 0.000 3.212 754 V HA 0.563 4.686 4.120 0.005 0.000 0.244 754 V C 0.837 176.890 176.094 -0.069 0.000 1.151 754 V CA 1.130 63.371 62.300 -0.098 0.000 1.119 754 V CB 0.643 32.377 31.823 -0.148 0.000 0.838 754 V HN 0.685 nan 8.190 nan 0.000 0.470 755 G N -0.683 108.082 108.800 -0.059 0.000 3.226 755 G HA2 0.216 4.179 3.960 0.005 0.000 0.685 755 G HA3 0.216 4.179 3.960 0.005 0.000 0.685 755 G C 0.414 175.305 174.900 -0.015 0.000 1.207 755 G CA -0.240 44.841 45.100 -0.031 0.000 0.877 755 G HN 0.641 nan 8.290 nan 0.000 0.585 756 A N 1.818 124.635 122.820 -0.005 0.000 1.881 756 A HA -0.078 4.245 4.320 0.005 0.000 0.219 756 A C 1.476 179.097 177.584 0.063 0.000 1.215 756 A CA 2.349 54.397 52.037 0.018 0.000 0.648 756 A CB -0.575 18.438 19.000 0.021 0.000 0.832 756 A HN 0.920 nan 8.150 nan 0.000 0.455 761 H N 0.233 119.384 119.070 0.135 0.000 2.423 761 H HA -0.002 4.556 4.556 0.003 0.000 0.297 761 H C 1.782 177.229 175.328 0.198 0.000 1.075 761 H CA 1.649 57.779 56.048 0.138 0.000 1.342 761 H CB -0.008 29.821 29.762 0.112 0.000 1.395 761 H HN -0.002 nan 8.280 nan 0.000 0.530 762 F N 2.211 122.261 119.950 0.167 0.000 2.134 762 F HA -0.161 4.368 4.527 0.004 0.000 0.299 762 F C 2.219 178.093 175.800 0.123 0.000 1.097 762 F CA 1.405 59.483 58.000 0.130 0.000 1.264 762 F CB -0.120 38.945 39.000 0.108 0.000 1.001 762 F HN 0.080 nan 8.300 nan 0.000 0.479 763 E N 0.008 120.289 120.200 0.136 0.000 2.077 763 E HA -0.256 4.097 4.350 0.005 0.000 0.193 763 E C 2.199 178.761 176.600 -0.062 0.000 0.989 763 E CA 1.414 57.814 56.400 -0.001 0.000 0.800 763 E CB -0.243 29.522 29.700 0.108 0.000 0.746 763 E HN 0.378 nan 8.360 nan 0.000 0.452 764 K N 0.557 120.946 120.400 -0.019 0.000 1.991 764 K HA -0.156 4.167 4.320 0.005 0.000 0.212 764 K C 2.270 178.864 176.600 -0.010 0.000 1.049 764 K CA 1.621 57.889 56.287 -0.032 0.000 0.932 764 K CB -0.442 32.032 32.500 -0.043 0.000 0.717 764 K HN 0.168 nan 8.250 nan 0.000 0.441 765 G N 1.351 110.189 108.800 0.063 0.000 2.505 765 G HA2 -0.205 3.758 3.960 0.005 0.000 0.220 765 G HA3 -0.205 3.758 3.960 0.005 0.000 0.220 765 G C 0.830 175.770 174.900 0.068 0.000 1.145 765 G CA 1.027 46.227 45.100 0.166 0.000 0.761 765 G HN 0.220 nan 8.290 nan 0.000 0.571 769 Q N 0.807 120.726 119.800 0.199 0.000 2.112 769 Q HA -0.212 4.130 4.340 0.005 0.000 0.206 769 Q C 1.596 177.685 176.000 0.148 0.000 0.987 769 Q CA 2.885 58.870 55.803 0.304 0.000 0.858 769 Q CB 0.035 28.920 28.738 0.245 0.000 0.905 769 Q HN 0.528 nan 8.270 nan 0.000 0.420 770 T N 0.941 115.545 114.554 0.083 0.000 2.857 770 T HA -0.085 4.267 4.350 0.005 0.000 0.266 770 T C 1.706 176.456 174.700 0.083 0.000 1.048 770 T CA 0.973 63.113 62.100 0.067 0.000 1.139 770 T CB -0.194 68.691 68.868 0.029 0.000 0.874 770 T HN 0.328 nan 8.240 nan 0.000 0.455 771 L N 1.103 122.363 121.223 0.061 0.000 2.017 771 L HA -0.136 4.207 4.340 0.005 0.000 0.208 771 L C 2.082 179.054 176.870 0.169 0.000 1.073 771 L CA 1.743 56.629 54.840 0.076 0.000 0.745 771 L CB -0.383 41.678 42.059 0.003 0.000 0.894 771 L HN 0.060 nan 8.230 nan 0.000 0.432 772 D N -0.340 120.152 120.400 0.154 0.000 2.106 772 D HA -0.200 4.443 4.640 0.005 0.000 0.191 772 D C 2.359 178.807 176.300 0.247 0.000 0.997 772 D CA 1.691 55.829 54.000 0.230 0.000 0.834 772 D CB -0.312 40.609 40.800 0.202 0.000 0.956 772 D HN 0.307 nan 8.370 nan 0.000 0.448 773 S N 0.043 115.855 115.700 0.186 0.000 2.359 773 S HA -0.147 4.326 4.470 0.005 0.000 0.222 773 S C 2.184 176.882 174.600 0.164 0.000 1.038 773 S CA 0.780 59.073 58.200 0.154 0.000 1.051 773 S CB -0.418 62.854 63.200 0.120 0.000 0.944 773 S HN 0.230 nan 8.310 nan 0.000 0.433 774 L N 0.154 121.484 121.223 0.178 0.000 2.012 774 L HA -0.169 4.173 4.340 0.005 0.000 0.210 774 L C 2.397 179.429 176.870 0.269 0.000 1.073 774 L CA 1.563 56.516 54.840 0.188 0.000 0.748 774 L CB -0.510 41.646 42.059 0.160 0.000 0.891 774 L HN 0.583 nan 8.230 nan 0.000 0.431 775 W N 1.502 122.879 121.300 0.127 0.000 2.363 775 W HA -0.222 4.442 4.660 0.006 0.000 0.296 775 W C 2.291 178.917 176.519 0.178 0.000 1.212 775 W CA 1.369 58.820 57.345 0.176 0.000 1.260 775 W CB 0.058 29.622 29.460 0.174 0.000 1.131 775 W HN 0.119 nan 8.180 nan 0.000 0.530 776 K N 0.314 120.739 120.400 0.041 0.000 2.103 776 K HA -0.188 4.135 4.320 0.005 0.000 0.204 776 K C 1.947 178.485 176.600 -0.104 0.000 1.052 776 K CA 1.412 57.644 56.287 -0.092 0.000 0.945 776 K CB -0.399 32.129 32.500 0.046 0.000 0.722 776 K HN 0.128 nan 8.250 nan 0.000 0.443 777 E N 0.005 120.208 120.200 0.004 0.000 2.058 777 E HA -0.271 4.082 4.350 0.005 0.000 0.194 777 E C 1.987 178.565 176.600 -0.038 0.000 0.997 777 E CA 1.457 57.867 56.400 0.017 0.000 0.801 777 E CB -0.021 29.726 29.700 0.079 0.000 0.746 777 E HN 0.297 nan 8.360 nan 0.000 0.450 778 H N -0.102 118.883 119.070 -0.141 0.000 2.293 778 H HA -0.129 4.430 4.556 0.005 0.000 0.300 778 H C 1.903 177.027 175.328 -0.340 0.000 1.082 778 H CA 1.502 57.438 56.048 -0.188 0.000 1.308 778 H CB -0.304 29.385 29.762 -0.122 0.000 1.375 778 H HN 0.087 nan 8.280 nan 0.000 0.495 779 L N 0.677 121.487 121.223 -0.688 0.000 2.021 779 L HA -0.200 4.142 4.340 0.005 0.000 0.215 779 L C 2.727 179.314 176.870 -0.472 0.000 1.074 779 L CA 2.093 56.539 54.840 -0.656 0.000 0.760 779 L CB -1.594 40.083 42.059 -0.636 0.000 0.889 779 L HN 0.499 nan 8.230 nan 0.000 0.433 780 A N -0.980 121.611 122.820 -0.381 0.000 1.940 780 A HA 0.013 4.336 4.320 0.005 0.000 0.219 780 A C 1.627 178.945 177.584 -0.443 0.000 1.176 780 A CA 1.344 53.133 52.037 -0.414 0.000 0.631 780 A CB -0.942 17.915 19.000 -0.239 0.000 0.814 780 A HN 0.429 nan 8.150 nan 0.000 0.446 784 Y N 2.512 122.699 120.300 -0.188 0.000 2.070 784 Y HA 0.053 4.606 4.550 0.005 0.000 0.279 784 Y C 2.755 178.580 175.900 -0.126 0.000 1.134 784 Y CA 1.133 59.123 58.100 -0.183 0.000 1.113 784 Y CB -1.024 37.300 38.460 -0.226 0.000 0.981 784 Y HN 0.032 nan 8.280 nan 0.000 0.487 785 L N -0.278 121.011 121.223 0.111 0.000 2.030 785 L HA -0.399 3.944 4.340 0.005 0.000 0.222 785 L C 2.651 179.513 176.870 -0.014 0.000 1.082 785 L CA 2.290 57.191 54.840 0.100 0.000 0.785 785 L CB -0.556 41.639 42.059 0.226 0.000 0.895 785 L HN 0.211 nan 8.230 nan 0.000 0.439 786 R N -0.230 120.208 120.500 -0.103 0.000 2.120 786 R HA -0.205 4.138 4.340 0.005 0.000 0.234 786 R C 2.386 178.385 176.300 -0.501 0.000 1.123 786 R CA 1.739 57.609 56.100 -0.383 0.000 0.975 786 R CB -0.031 30.040 30.300 -0.382 0.000 0.866 786 R HN 0.631 nan 8.270 nan 0.000 0.446 787 Q N -1.990 117.569 119.800 -0.403 0.000 2.259 787 Q HA 0.054 4.396 4.340 0.005 0.000 0.201 787 Q C 1.770 177.507 176.000 -0.439 0.000 0.938 787 Q CA 1.051 56.465 55.803 -0.648 0.000 0.872 787 Q CB -0.139 28.471 28.738 -0.214 0.000 0.971 787 Q HN 0.335 nan 8.270 nan 0.000 0.494 788 G N 1.460 110.159 108.800 -0.169 0.000 2.653 788 G HA2 0.030 3.993 3.960 0.005 0.000 0.212 788 G HA3 0.030 3.993 3.960 0.005 0.000 0.212 788 G C 0.733 175.577 174.900 -0.092 0.000 1.138 788 G CA 0.261 45.313 45.100 -0.079 0.000 0.782 788 G HN 0.345 nan 8.290 nan 0.000 0.535 789 I N -0.222 120.226 120.570 -0.204 0.000 2.900 789 I HA 0.244 4.417 4.170 0.005 0.000 0.331 789 I C 0.520 176.462 176.117 -0.291 0.000 1.427 789 I CA -0.360 60.847 61.300 -0.155 0.000 0.836 789 I CB 0.511 38.486 38.000 -0.042 0.000 2.115 789 I HN 0.147 nan 8.210 nan 0.000 0.578 790 H N 1.067 120.084 119.070 -0.089 0.000 2.516 790 H HA 0.371 4.930 4.556 0.005 0.000 0.284 790 H C -0.001 175.298 175.328 -0.050 0.000 0.999 790 H CA 0.230 56.223 56.048 -0.091 0.000 1.303 790 H CB 0.845 30.551 29.762 -0.093 0.000 1.452 790 H HN 0.145 nan 8.280 nan 0.000 0.530 791 L N 1.072 122.323 121.223 0.047 0.000 2.534 791 L HA 0.289 4.631 4.340 0.005 0.000 0.259 791 L C 0.703 177.558 176.870 -0.026 0.000 1.108 791 L CA 0.014 54.857 54.840 0.005 0.000 0.905 791 L CB 1.366 43.426 42.059 0.002 0.000 1.138 791 L HN 0.035 nan 8.230 nan 0.000 0.475 792 R N 1.225 121.711 120.500 -0.022 0.000 2.206 792 R HA 0.510 4.853 4.340 0.005 0.000 0.198 792 R C 0.343 176.593 176.300 -0.084 0.000 0.986 792 R CA 0.695 56.781 56.100 -0.023 0.000 1.029 792 R CB 0.685 31.006 30.300 0.035 0.000 0.966 792 R HN 0.657 nan 8.270 nan 0.000 0.487 793 G N -1.168 107.574 108.800 -0.098 0.000 2.404 793 G HA2 0.295 4.258 3.960 0.005 0.000 0.298 793 G HA3 0.295 4.258 3.960 0.005 0.000 0.298 793 G C -1.626 173.205 174.900 -0.115 0.000 1.577 793 G CA -0.786 44.112 45.100 -0.337 0.000 0.847 793 G HN 0.191 nan 8.290 nan 0.000 0.598 794 Y N -1.718 118.593 120.300 0.018 0.000 2.576 794 Y HA -0.086 4.467 4.550 0.005 0.000 0.031 794 Y C 1.667 177.583 175.900 0.025 0.000 1.769 794 Y CA 0.604 58.716 58.100 0.020 0.000 1.368 794 Y CB -1.147 37.326 38.460 0.022 0.000 2.017 794 Y HN 1.637 nan 8.280 nan 0.000 0.265 795 A N 2.492 125.411 122.820 0.165 0.000 1.845 795 A HA -0.203 4.120 4.320 0.005 0.000 0.215 795 A C 1.835 179.489 177.584 0.116 0.000 1.195 795 A CA 2.017 54.120 52.037 0.111 0.000 0.616 795 A CB -0.370 18.678 19.000 0.079 0.000 0.832 795 A HN 0.822 nan 8.150 nan 0.000 0.443 796 Q N 0.233 120.107 119.800 0.122 0.000 0.539 796 Q HA -0.203 4.140 4.340 0.005 0.000 0.901 796 Q C 0.608 176.640 176.000 0.053 0.000 0.858 796 Q CA 1.407 57.250 55.803 0.068 0.000 0.876 796 Q CB -0.527 28.224 28.738 0.023 0.000 0.917 796 Q HN 0.529 nan 8.270 nan 0.000 0.154 797 K N 0.898 121.298 120.400 0.000 0.000 2.174 797 K HA -0.159 4.164 4.320 0.005 0.000 0.251 797 K C -0.006 176.625 176.600 0.051 0.000 1.040 797 K CA 0.866 57.153 56.287 -0.000 0.000 0.777 797 K CB -0.045 32.427 32.500 -0.046 0.000 1.039 797 K HN 0.337 nan 8.250 nan 0.000 0.541 798 D N 0.314 120.743 120.400 0.049 0.000 2.454 798 D HA 0.203 4.845 4.640 0.005 0.000 0.225 798 D C -1.839 174.520 176.300 0.097 0.000 1.081 798 D CA -2.314 51.726 54.000 0.067 0.000 0.864 798 D CB 0.921 41.747 40.800 0.043 0.000 1.040 798 D HN 0.098 nan 8.370 nan 0.000 0.517 799 P HA -0.201 nan 4.420 nan 0.000 0.213 799 P C 0.240 177.667 177.300 0.213 0.000 1.176 799 P CA 1.324 64.529 63.100 0.175 0.000 0.919 799 P CB -0.017 31.788 31.700 0.174 0.000 0.791 800 K N -1.221 119.288 120.400 0.182 0.000 2.180 800 K HA 0.104 4.427 4.320 0.005 0.000 0.251 800 K C 0.710 177.323 176.600 0.021 0.000 1.014 800 K CA -0.206 56.091 56.287 0.017 0.000 0.913 800 K CB 0.537 32.805 32.500 -0.387 0.000 1.008 800 K HN -0.126 nan 8.250 nan 0.000 0.490 801 Q N -0.347 119.453 119.800 -0.001 0.000 5.467 801 Q HA -0.284 4.059 4.340 0.005 0.000 0.277 801 Q C 1.465 177.499 176.000 0.056 0.000 2.282 801 Q CA 2.317 58.134 55.803 0.023 0.000 0.387 801 Q CB -1.952 26.798 28.738 0.019 0.000 0.222 801 Q HN 0.901 nan 8.270 nan 0.000 0.654 802 E N 0.115 120.367 120.200 0.086 0.000 2.118 802 E HA -0.154 4.199 4.350 0.005 0.000 0.195 802 E C 1.884 178.549 176.600 0.108 0.000 0.992 802 E CA 2.024 58.481 56.400 0.096 0.000 0.804 802 E CB -0.440 29.328 29.700 0.114 0.000 0.741 802 E HN 0.543 nan 8.360 nan 0.000 0.458 803 Y N 0.926 121.256 120.300 0.051 0.000 2.181 803 Y HA -0.159 4.393 4.550 0.005 0.000 0.288 803 Y C 1.759 177.669 175.900 0.016 0.000 1.146 803 Y CA 2.048 60.182 58.100 0.057 0.000 1.164 803 Y CB 0.024 38.566 38.460 0.137 0.000 0.982 803 Y HN -0.051 nan 8.280 nan 0.000 0.515 804 K N -0.029 120.282 120.400 -0.147 0.000 2.097 804 K HA -0.145 4.178 4.320 0.005 0.000 0.206 804 K C 2.208 178.772 176.600 -0.061 0.000 1.049 804 K CA 1.552 57.729 56.287 -0.184 0.000 0.933 804 K CB -0.161 32.364 32.500 0.042 0.000 0.717 804 K HN 0.345 nan 8.250 nan 0.000 0.442 805 R N 1.193 121.691 120.500 -0.004 0.000 2.062 805 R HA -0.114 4.228 4.340 0.005 0.000 0.231 805 R C 2.247 178.554 176.300 0.011 0.000 1.136 805 R CA 1.507 57.636 56.100 0.048 0.000 0.948 805 R CB -0.250 30.073 30.300 0.038 0.000 0.845 805 R HN 0.293 nan 8.270 nan 0.000 0.430 806 E N 0.358 120.529 120.200 -0.048 0.000 2.070 806 E HA -0.232 4.120 4.350 0.005 0.000 0.197 806 E C 2.065 178.617 176.600 -0.080 0.000 1.004 806 E CA 1.718 58.090 56.400 -0.047 0.000 0.805 806 E CB -0.175 29.504 29.700 -0.034 0.000 0.744 806 E HN 0.169 nan 8.360 nan 0.000 0.451 807 S N -0.262 115.281 115.700 -0.261 0.000 2.368 807 S HA -0.124 4.349 4.470 0.005 0.000 0.224 807 S C 1.744 176.301 174.600 -0.072 0.000 1.029 807 S CA 0.755 58.788 58.200 -0.278 0.000 0.988 807 S CB -0.239 62.526 63.200 -0.724 0.000 0.838 807 S HN 0.167 nan 8.310 nan 0.000 0.462 808 F N 2.020 121.946 119.950 -0.040 0.000 2.216 808 F HA 0.134 4.664 4.527 0.004 0.000 0.300 808 F C 2.054 177.931 175.800 0.127 0.000 1.085 808 F CA 0.821 58.860 58.000 0.064 0.000 1.326 808 F CB -0.890 38.115 39.000 0.008 0.000 1.027 808 F HN 0.151 nan 8.300 nan 0.000 0.497 812 A N 1.987 124.792 122.820 -0.025 0.000 1.930 812 A HA 0.418 4.741 4.320 0.005 0.000 0.217 812 A C 1.637 179.132 177.584 -0.149 0.000 1.175 812 A CA 1.159 53.115 52.037 -0.135 0.000 0.627 812 A CB -1.390 17.614 19.000 0.006 0.000 0.815 812 A HN 0.659 nan 8.150 nan 0.000 0.443 816 E N 0.289 120.425 120.200 -0.107 0.000 2.158 816 E HA -0.052 4.301 4.350 0.005 0.000 0.191 816 E C 1.951 178.549 176.600 -0.003 0.000 0.982 816 E CA 1.431 57.800 56.400 -0.052 0.000 0.823 816 E CB 0.036 29.698 29.700 -0.063 0.000 0.766 816 E HN 0.295 nan 8.360 nan 0.000 0.468 817 S N 0.503 116.192 115.700 -0.018 0.000 2.406 817 S HA -0.067 4.405 4.470 0.005 0.000 0.228 817 S C 1.835 176.491 174.600 0.093 0.000 1.020 817 S CA 0.289 58.512 58.200 0.039 0.000 0.965 817 S CB -0.033 63.171 63.200 0.005 0.000 0.798 817 S HN 0.140 nan 8.310 nan 0.000 0.488 818 L N 1.999 123.241 121.223 0.032 0.000 2.017 818 L HA 0.010 4.353 4.340 0.005 0.000 0.208 818 L C 2.126 179.022 176.870 0.044 0.000 1.073 818 L CA 1.940 56.798 54.840 0.030 0.000 0.745 818 L CB -0.815 41.237 42.059 -0.011 0.000 0.894 818 L HN 0.204 nan 8.230 nan 0.000 0.432 819 K N -1.494 118.933 120.400 0.046 0.000 2.009 819 K HA -0.264 4.059 4.320 0.005 0.000 0.210 819 K C 2.188 178.860 176.600 0.120 0.000 1.049 819 K CA 2.166 58.491 56.287 0.062 0.000 0.929 819 K CB -0.693 31.840 32.500 0.056 0.000 0.714 819 K HN 0.420 nan 8.250 nan 0.000 0.440 820 Y N 2.146 122.452 120.300 0.011 0.000 2.200 820 Y HA -0.144 4.409 4.550 0.005 0.000 0.290 820 Y C 1.988 177.899 175.900 0.018 0.000 1.137 820 Y CA 1.355 59.475 58.100 0.033 0.000 1.163 820 Y CB 0.046 38.514 38.460 0.013 0.000 0.988 820 Y HN 0.009 nan 8.280 nan 0.000 0.518 821 E N -0.056 120.200 120.200 0.094 0.000 2.150 821 E HA -0.137 4.216 4.350 0.005 0.000 0.193 821 E C 2.461 179.020 176.600 -0.068 0.000 0.985 821 E CA 1.225 57.605 56.400 -0.033 0.000 0.814 821 E CB -0.516 29.223 29.700 0.065 0.000 0.752 821 E HN 0.447 nan 8.360 nan 0.000 0.466 822 V N 1.687 121.586 119.914 -0.026 0.000 2.295 822 V HA -0.237 3.886 4.120 0.005 0.000 0.246 822 V C 2.339 178.416 176.094 -0.029 0.000 1.049 822 V CA 1.218 63.499 62.300 -0.031 0.000 1.024 822 V CB -0.330 31.480 31.823 -0.021 0.000 0.648 822 V HN 0.199 nan 8.190 nan 0.000 0.447 823 I N -0.111 120.451 120.570 -0.012 0.000 2.202 823 I HA -0.186 3.987 4.170 0.005 0.000 0.242 823 I C 2.737 178.913 176.117 0.100 0.000 1.091 823 I CA 1.888 63.226 61.300 0.062 0.000 1.368 823 I CB -1.510 36.576 38.000 0.144 0.000 1.058 823 I HN 0.367 nan 8.210 nan 0.000 0.410 824 S N 0.554 116.191 115.700 -0.104 0.000 2.369 824 S HA -0.260 4.213 4.470 0.005 0.000 0.225 824 S C 2.148 176.720 174.600 -0.048 0.000 1.043 824 S CA 2.690 60.737 58.200 -0.255 0.000 1.074 824 S CB -0.361 62.519 63.200 -0.534 0.000 0.962 824 S HN 0.502 nan 8.310 nan 0.000 0.433 825 T N 2.936 117.466 114.554 -0.040 0.000 2.665 825 T HA -0.073 4.280 4.350 0.005 0.000 0.268 825 T C 1.777 176.556 174.700 0.132 0.000 1.035 825 T CA 1.755 63.875 62.100 0.033 0.000 1.151 825 T CB -0.500 68.372 68.868 0.007 0.000 0.862 825 T HN 0.363 nan 8.240 nan 0.000 0.438 826 L N 0.821 122.126 121.223 0.136 0.000 2.056 826 L HA -0.098 4.245 4.340 0.005 0.000 0.207 826 L C 2.896 179.934 176.870 0.280 0.000 1.078 826 L CA 1.031 56.021 54.840 0.250 0.000 0.749 826 L CB -0.869 41.245 42.059 0.092 0.000 0.901 826 L HN 0.237 nan 8.230 nan 0.000 0.433 827 S N 0.363 116.189 115.700 0.210 0.000 2.372 827 S HA -0.256 4.217 4.470 0.005 0.000 0.227 827 S C 1.815 176.543 174.600 0.213 0.000 1.044 827 S CA 1.794 60.147 58.200 0.254 0.000 1.050 827 S CB -0.257 63.172 63.200 0.380 0.000 0.901 827 S HN 0.402 nan 8.310 nan 0.000 0.447 828 K N 0.580 121.077 120.400 0.161 0.000 2.404 828 K HA 0.264 4.587 4.320 0.005 0.000 0.194 828 K C 0.111 176.780 176.600 0.116 0.000 1.023 828 K CA -0.136 56.219 56.287 0.114 0.000 1.094 828 K CB 0.410 32.944 32.500 0.056 0.000 0.841 828 K HN 0.161 nan 8.250 nan 0.000 0.523 829 V N 2.599 122.610 119.914 0.161 0.000 2.540 829 V HA -0.049 4.074 4.120 0.005 0.000 0.297 829 V C -0.264 175.875 176.094 0.076 0.000 1.024 829 V CA -0.072 62.319 62.300 0.151 0.000 1.105 829 V CB 0.666 32.641 31.823 0.254 0.000 0.938 829 V HN 0.231 nan 8.190 nan 0.000 0.482 830 Q N 4.994 124.822 119.800 0.046 0.000 2.314 830 Q HA 0.478 4.821 4.340 0.005 0.000 0.258 830 Q C -0.386 175.600 176.000 -0.024 0.000 0.954 830 Q CA 0.162 55.974 55.803 0.015 0.000 0.890 830 Q CB 1.430 30.178 28.738 0.016 0.000 1.210 830 Q HN 0.966 nan 8.270 nan 0.000 0.410 831 V N 1.809 121.706 119.914 -0.030 0.000 2.655 831 V HA 0.568 4.691 4.120 0.005 0.000 0.301 831 V C -0.096 175.976 176.094 -0.035 0.000 1.082 831 V CA -1.173 61.095 62.300 -0.053 0.000 0.899 831 V CB 1.641 33.413 31.823 -0.085 0.000 1.014 831 V HN 0.825 nan 8.190 nan 0.000 0.429 834 P HA 0.000 nan 4.420 nan 0.000 0.216 834 P CA 0.000 63.091 63.100 -0.015 0.000 0.800 834 P CB 0.000 31.692 31.700 -0.014 0.000 0.726