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 2qn3_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXNVGG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA 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 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.984 176.000 -0.027 0.000 1.003 12 Q CA 0.000 55.775 55.803 -0.047 0.000 1.022 12 Q CB 0.000 28.704 28.738 -0.057 0.000 1.108 13 I N -0.456 120.102 120.570 -0.019 0.000 2.493 13 I HA 0.542 4.704 4.170 -0.013 0.000 0.298 13 I C 1.054 177.171 176.117 0.001 0.000 0.998 13 I CA -0.188 61.109 61.300 -0.005 0.000 1.137 13 I CB 1.910 39.911 38.000 0.002 0.000 1.310 13 I HN 0.192 nan 8.210 nan 0.000 0.445 14 S N 4.104 119.809 115.700 0.009 0.000 2.365 14 S HA -0.186 4.276 4.470 -0.013 0.000 0.225 14 S C 1.778 176.389 174.600 0.017 0.000 1.039 14 S CA 2.190 60.397 58.200 0.013 0.000 1.033 14 S CB -0.667 62.546 63.200 0.021 0.000 0.887 14 S HN 0.866 nan 8.310 nan 0.000 0.447 15 V N -0.274 119.657 119.914 0.029 0.000 2.867 15 V HA 0.120 4.232 4.120 -0.013 0.000 0.260 15 V C 2.176 178.285 176.094 0.025 0.000 1.099 15 V CA 1.569 63.890 62.300 0.035 0.000 1.122 15 V CB -1.097 30.756 31.823 0.049 0.000 0.708 15 V HN 0.420 nan 8.190 nan 0.000 0.490 16 R N 1.134 121.640 120.500 0.010 0.000 2.310 16 R HA 0.429 4.761 4.340 -0.013 0.000 0.202 16 R C 1.151 177.442 176.300 -0.014 0.000 0.933 16 R CA 0.575 56.674 56.100 -0.001 0.000 1.054 16 R CB 0.030 30.325 30.300 -0.008 0.000 0.985 16 R HN 0.774 nan 8.270 nan 0.000 0.489 17 G N 0.576 109.368 108.800 -0.014 0.000 2.685 17 G HA2 -0.210 3.742 3.960 -0.013 0.000 0.387 17 G HA3 -0.210 3.742 3.960 -0.013 0.000 0.387 17 G C -1.015 173.870 174.900 -0.025 0.000 1.324 17 G CA -1.071 44.013 45.100 -0.026 0.000 0.878 17 G HN -0.034 nan 8.290 nan 0.000 0.527 18 L N 0.542 121.748 121.223 -0.029 0.000 2.350 18 L HA 0.668 5.000 4.340 -0.013 0.000 0.275 18 L C 1.229 178.084 176.870 -0.024 0.000 1.099 18 L CA 0.443 55.269 54.840 -0.023 0.000 0.808 18 L CB 1.118 43.165 42.059 -0.021 0.000 1.149 18 L HN 1.557 nan 8.230 nan 0.000 0.442 19 A N 2.676 125.484 122.820 -0.019 0.000 3.056 19 A HA 0.582 4.894 4.320 -0.013 0.000 0.328 19 A C 0.634 178.213 177.584 -0.008 0.000 1.233 19 A CA -0.353 51.675 52.037 -0.015 0.000 0.965 19 A CB -0.255 18.735 19.000 -0.017 0.000 1.123 19 A HN 0.780 nan 8.150 nan 0.000 0.502 20 G N -0.249 108.548 108.800 -0.006 0.000 2.491 20 G HA2 0.367 4.319 3.960 -0.013 0.000 0.242 20 G HA3 0.367 4.319 3.960 -0.013 0.000 0.242 20 G C 1.004 175.908 174.900 0.007 0.000 1.266 20 G CA -0.017 45.083 45.100 0.000 0.000 0.844 20 G HN 0.469 nan 8.290 nan 0.000 0.571 21 V N 1.621 121.540 119.914 0.008 0.000 2.332 21 V HA -0.202 3.910 4.120 -0.013 0.000 0.248 21 V C 2.646 178.750 176.094 0.017 0.000 1.055 21 V CA 2.426 64.733 62.300 0.012 0.000 1.038 21 V CB -0.695 31.134 31.823 0.011 0.000 0.651 21 V HN 0.818 nan 8.190 nan 0.000 0.450 22 E N 0.715 120.926 120.200 0.018 0.000 2.031 22 E HA -0.212 4.130 4.350 -0.013 0.000 0.193 22 E C 2.045 178.666 176.600 0.035 0.000 0.994 22 E CA 1.897 58.312 56.400 0.024 0.000 0.800 22 E CB -0.281 29.433 29.700 0.022 0.000 0.752 22 E HN 0.654 nan 8.360 nan 0.000 0.447 23 N N -0.936 117.784 118.700 0.033 0.000 2.120 23 N HA -0.131 4.601 4.740 -0.013 0.000 0.188 23 N C 1.645 177.181 175.510 0.044 0.000 1.024 23 N CA 1.315 54.391 53.050 0.043 0.000 0.852 23 N CB -0.062 38.437 38.487 0.020 0.000 1.003 23 N HN -0.008 nan 8.380 nan 0.000 0.424 24 V N 0.260 120.191 119.914 0.028 0.000 2.295 24 V HA -0.238 3.874 4.120 -0.013 0.000 0.246 24 V C 2.036 178.152 176.094 0.036 0.000 1.049 24 V CA 1.905 64.221 62.300 0.026 0.000 1.024 24 V CB -0.951 30.882 31.823 0.017 0.000 0.648 24 V HN 0.413 nan 8.190 nan 0.000 0.447 25 T N -0.515 114.060 114.554 0.035 0.000 2.684 25 T HA -0.242 4.100 4.350 -0.013 0.000 0.267 25 T C 1.927 176.661 174.700 0.056 0.000 1.036 25 T CA 1.875 63.998 62.100 0.038 0.000 1.148 25 T CB -0.225 68.661 68.868 0.030 0.000 0.863 25 T HN 0.484 nan 8.240 nan 0.000 0.436 26 E N 0.878 121.118 120.200 0.068 0.000 2.106 26 E HA -0.010 4.332 4.350 -0.013 0.000 0.192 26 E C 2.031 178.709 176.600 0.131 0.000 0.984 26 E CA 0.840 57.294 56.400 0.090 0.000 0.806 26 E CB -0.488 29.270 29.700 0.097 0.000 0.750 26 E HN 0.447 nan 8.360 nan 0.000 0.458 27 L N 0.111 121.416 121.223 0.136 0.000 2.046 27 L HA -0.168 4.164 4.340 -0.013 0.000 0.208 27 L C 2.420 179.397 176.870 0.179 0.000 1.077 27 L CA 1.429 56.372 54.840 0.172 0.000 0.747 27 L CB -0.311 41.818 42.059 0.117 0.000 0.896 27 L HN 0.060 nan 8.230 nan 0.000 0.432 28 K N 0.471 120.937 120.400 0.110 0.000 2.057 28 K HA -0.213 4.099 4.320 -0.013 0.000 0.207 28 K C 2.129 178.830 176.600 0.168 0.000 1.049 28 K CA 1.766 58.110 56.287 0.094 0.000 0.931 28 K CB -0.094 32.423 32.500 0.029 0.000 0.714 28 K HN 0.382 nan 8.250 nan 0.000 0.440 29 K N 0.222 120.703 120.400 0.135 0.000 2.103 29 K HA -0.039 4.273 4.320 -0.013 0.000 0.204 29 K C 1.553 178.240 176.600 0.146 0.000 1.052 29 K CA 1.251 57.612 56.287 0.123 0.000 0.945 29 K CB -0.096 32.450 32.500 0.077 0.000 0.722 29 K HN 0.012 nan 8.250 nan 0.000 0.443 30 N N 0.435 119.235 118.700 0.167 0.000 2.270 30 N HA -0.102 4.630 4.740 -0.013 0.000 0.181 30 N C 1.591 177.261 175.510 0.267 0.000 1.016 30 N CA 0.880 54.027 53.050 0.162 0.000 0.870 30 N CB -0.208 38.387 38.487 0.180 0.000 0.979 30 N HN 0.205 nan 8.380 nan 0.000 0.431 31 F N 2.598 122.654 119.950 0.177 0.000 2.102 31 F HA -0.105 4.414 4.527 -0.013 0.000 0.298 31 F C 2.023 177.932 175.800 0.181 0.000 1.105 31 F CA 1.274 59.392 58.000 0.196 0.000 1.239 31 F CB -0.128 38.958 39.000 0.143 0.000 0.991 31 F HN -0.045 nan 8.300 nan 0.000 0.474 32 N N 0.453 119.391 118.700 0.396 0.000 2.244 32 N HA -0.179 4.553 4.740 -0.013 0.000 0.183 32 N C 1.999 177.598 175.510 0.148 0.000 1.016 32 N CA 1.081 54.287 53.050 0.260 0.000 0.866 32 N CB -0.529 38.087 38.487 0.214 0.000 0.980 32 N HN 0.376 nan 8.380 nan 0.000 0.430 33 R N 0.151 120.733 120.500 0.135 0.000 2.081 33 R HA -0.084 4.248 4.340 -0.013 0.000 0.235 33 R C 1.751 178.128 176.300 0.129 0.000 1.131 33 R CA 1.416 57.615 56.100 0.166 0.000 0.960 33 R CB -0.173 30.148 30.300 0.036 0.000 0.856 33 R HN 0.378 nan 8.270 nan 0.000 0.436 34 H N -0.428 118.681 119.070 0.065 0.000 2.389 34 H HA -0.111 4.437 4.556 -0.013 0.000 0.299 34 H C 1.857 177.114 175.328 -0.117 0.000 1.081 34 H CA 1.403 57.420 56.048 -0.052 0.000 1.345 34 H CB 0.097 29.785 29.762 -0.123 0.000 1.393 34 H HN 0.116 nan 8.280 nan 0.000 0.520 35 L N -0.050 121.151 121.223 -0.037 0.000 2.083 35 L HA -0.188 4.144 4.340 -0.013 0.000 0.209 35 L C 2.181 179.024 176.870 -0.044 0.000 1.083 35 L CA 1.833 56.625 54.840 -0.080 0.000 0.752 35 L CB -0.408 41.619 42.059 -0.053 0.000 0.899 35 L HN 0.305 nan 8.230 nan 0.000 0.433 36 H N -1.808 117.187 119.070 -0.126 0.000 2.276 36 H HA -0.060 4.488 4.556 -0.013 0.000 0.307 36 H C 1.800 176.934 175.328 -0.324 0.000 1.061 36 H CA 2.276 58.154 56.048 -0.283 0.000 1.336 36 H CB -0.259 29.235 29.762 -0.446 0.000 1.396 36 H HN 0.278 nan 8.280 nan 0.000 0.503 37 F N -0.457 119.488 119.950 -0.009 0.000 2.234 37 F HA -0.014 4.505 4.527 -0.013 0.000 0.296 37 F C 2.579 178.309 175.800 -0.118 0.000 1.089 37 F CA 1.355 59.309 58.000 -0.078 0.000 1.343 37 F CB -0.331 38.656 39.000 -0.022 0.000 1.040 37 F HN 0.180 nan 8.300 nan 0.000 0.498 38 T N -0.115 114.471 114.554 0.054 0.000 2.901 38 T HA 0.055 4.397 4.350 -0.013 0.000 0.252 38 T C 1.951 176.560 174.700 -0.152 0.000 1.035 38 T CA 0.868 62.925 62.100 -0.071 0.000 1.142 38 T CB -0.310 68.474 68.868 -0.141 0.000 0.869 38 T HN 0.103 nan 8.240 nan 0.000 0.442 39 L N 1.143 122.274 121.223 -0.153 0.000 2.529 39 L HA 0.195 4.527 4.340 -0.013 0.000 0.223 39 L C 0.334 177.106 176.870 -0.164 0.000 1.113 39 L CA -0.079 54.659 54.840 -0.169 0.000 0.861 39 L CB 0.005 41.970 42.059 -0.157 0.000 1.012 39 L HN -0.022 nan 8.230 nan 0.000 0.461 40 V N 0.448 120.247 119.914 -0.191 0.000 5.949 40 V HA -0.286 3.826 4.120 -0.013 0.000 0.287 40 V C -0.030 175.945 176.094 -0.198 0.000 0.603 40 V CA 1.096 63.254 62.300 -0.236 0.000 0.608 40 V CB -2.211 29.501 31.823 -0.185 0.000 0.259 40 V HN 0.404 nan 8.190 nan 0.000 0.742 41 K N 1.038 121.326 120.400 -0.187 0.000 2.480 41 K HA 0.725 5.037 4.320 -0.013 0.000 0.258 41 K C -0.568 175.985 176.600 -0.077 0.000 0.990 41 K CA -0.522 55.689 56.287 -0.126 0.000 0.857 41 K CB 2.851 35.276 32.500 -0.125 0.000 1.384 41 K HN 0.506 nan 8.250 nan 0.000 0.446 42 D N -0.451 119.929 120.400 -0.033 0.000 2.450 42 D HA 0.304 4.936 4.640 -0.013 0.000 0.238 42 D C 0.636 176.966 176.300 0.052 0.000 1.020 42 D CA -0.623 53.396 54.000 0.031 0.000 1.010 42 D CB 1.010 41.833 40.800 0.040 0.000 1.342 42 D HN 0.130 nan 8.370 nan 0.000 0.530 43 R N 0.150 120.718 120.500 0.112 0.000 2.211 43 R HA -0.070 4.262 4.340 -0.013 0.000 0.240 43 R C 1.039 177.416 176.300 0.128 0.000 1.144 43 R CA 0.753 56.961 56.100 0.180 0.000 0.992 43 R CB -0.707 29.704 30.300 0.184 0.000 0.869 43 R HN 0.528 nan 8.270 nan 0.000 0.462 44 N N 0.204 118.946 118.700 0.070 0.000 2.354 44 N HA -0.089 4.643 4.740 -0.013 0.000 0.179 44 N C 1.659 177.187 175.510 0.031 0.000 1.021 44 N CA 1.425 54.505 53.050 0.050 0.000 0.887 44 N CB 0.184 38.689 38.487 0.031 0.000 0.974 44 N HN 0.257 nan 8.380 nan 0.000 0.437 45 V N -2.989 116.929 119.914 0.007 0.000 3.477 45 V HA 0.531 4.643 4.120 -0.013 0.000 0.297 45 V C 0.753 176.813 176.094 -0.056 0.000 1.433 45 V CA -0.517 61.773 62.300 -0.017 0.000 1.052 45 V CB -0.349 31.459 31.823 -0.026 0.000 0.895 45 V HN 0.051 nan 8.190 nan 0.000 0.438 46 A N 2.453 125.216 122.820 -0.095 0.000 2.488 46 A HA 0.544 4.856 4.320 -0.013 0.000 0.249 46 A C 0.804 178.216 177.584 -0.286 0.000 1.083 46 A CA 0.782 52.655 52.037 -0.273 0.000 0.768 46 A CB -0.272 18.432 19.000 -0.494 0.000 1.017 46 A HN 0.814 nan 8.150 nan 0.000 0.496 47 T N 0.767 115.168 114.554 -0.255 0.000 2.902 47 T HA 0.505 4.847 4.350 -0.013 0.000 0.280 47 T C -2.004 172.620 174.700 -0.127 0.000 0.992 47 T CA -1.674 60.354 62.100 -0.120 0.000 1.015 47 T CB 1.014 69.854 68.868 -0.046 0.000 1.044 47 T HN 0.289 nan 8.240 nan 0.000 0.520 48 P HA -0.090 nan 4.420 nan 0.000 0.217 48 P C 1.597 179.013 177.300 0.193 0.000 1.148 48 P CA 0.896 64.135 63.100 0.232 0.000 0.828 48 P CB 0.046 31.848 31.700 0.170 0.000 0.783 49 R N 0.070 120.631 120.500 0.102 0.000 2.096 49 R HA -0.139 4.193 4.340 -0.013 0.000 0.235 49 R C 1.670 178.149 176.300 0.299 0.000 1.127 49 R CA 1.729 57.927 56.100 0.163 0.000 0.968 49 R CB -0.678 29.652 30.300 0.050 0.000 0.861 49 R HN 0.095 nan 8.270 nan 0.000 0.440 50 D N -0.307 120.151 120.400 0.096 0.000 2.123 50 D HA -0.198 4.435 4.640 -0.013 0.000 0.196 50 D C 1.711 178.036 176.300 0.043 0.000 0.992 50 D CA 1.349 55.356 54.000 0.012 0.000 0.833 50 D CB -0.298 40.365 40.800 -0.229 0.000 0.954 50 D HN 0.312 nan 8.370 nan 0.000 0.455 51 Y N 0.080 120.490 120.300 0.183 0.000 2.181 51 Y HA -0.203 4.340 4.550 -0.013 0.000 0.288 51 Y C 2.323 178.368 175.900 0.240 0.000 1.146 51 Y CA 0.343 58.593 58.100 0.251 0.000 1.164 51 Y CB -1.136 37.523 38.460 0.331 0.000 0.982 51 Y HN 0.089 nan 8.280 nan 0.000 0.515 52 Y N -0.448 119.998 120.300 0.244 0.000 2.097 52 Y HA -0.300 4.242 4.550 -0.014 0.000 0.282 52 Y C 2.009 177.889 175.900 -0.033 0.000 1.152 52 Y CA 1.406 59.545 58.100 0.065 0.000 1.136 52 Y CB -1.153 37.246 38.460 -0.103 0.000 0.975 52 Y HN 0.046 nan 8.280 nan 0.000 0.498 53 F N 0.250 120.020 119.950 -0.301 0.000 2.171 53 F HA -0.163 4.356 4.527 -0.013 0.000 0.300 53 F C 2.645 178.294 175.800 -0.251 0.000 1.090 53 F CA 1.335 59.097 58.000 -0.395 0.000 1.293 53 F CB -0.815 38.121 39.000 -0.107 0.000 1.013 53 F HN 0.216 nan 8.300 nan 0.000 0.486 54 A N -0.230 122.536 122.820 -0.091 0.000 1.902 54 A HA -0.178 4.134 4.320 -0.013 0.000 0.217 54 A C 2.052 179.488 177.584 -0.246 0.000 1.181 54 A CA 1.548 53.387 52.037 -0.331 0.000 0.623 54 A CB -0.966 17.507 19.000 -0.878 0.000 0.818 54 A HN 0.346 nan 8.150 nan 0.000 0.443 55 L N -0.290 120.916 121.223 -0.028 0.000 2.056 55 L HA 0.010 4.342 4.340 -0.013 0.000 0.207 55 L C 2.669 179.516 176.870 -0.038 0.000 1.078 55 L CA 2.116 57.067 54.840 0.185 0.000 0.749 55 L CB -0.958 41.282 42.059 0.301 0.000 0.901 55 L HN 0.336 nan 8.230 nan 0.000 0.433 56 A N -1.167 121.449 122.820 -0.340 0.000 1.883 56 A HA -0.287 4.025 4.320 -0.013 0.000 0.217 56 A C 2.147 179.371 177.584 -0.599 0.000 1.186 56 A CA 2.042 53.747 52.037 -0.554 0.000 0.624 56 A CB -1.118 17.211 19.000 -1.118 0.000 0.822 56 A HN 0.672 nan 8.150 nan 0.000 0.444 57 H N -0.780 117.965 119.070 -0.540 0.000 2.387 57 H HA -0.064 4.484 4.556 -0.013 0.000 0.299 57 H C 2.347 177.403 175.328 -0.453 0.000 1.090 57 H CA 1.999 57.659 56.048 -0.647 0.000 1.332 57 H CB -0.228 28.890 29.762 -1.073 0.000 1.386 57 H HN 0.463 nan 8.280 nan 0.000 0.516 58 T N -0.310 114.186 114.554 -0.096 0.000 2.708 58 T HA -0.133 4.209 4.350 -0.013 0.000 0.266 58 T C 2.254 177.114 174.700 0.266 0.000 1.037 58 T CA 1.381 63.610 62.100 0.214 0.000 1.146 58 T CB -0.373 68.683 68.868 0.314 0.000 0.865 58 T HN 0.098 nan 8.240 nan 0.000 0.435 59 V N 1.495 121.523 119.914 0.191 0.000 2.379 59 V HA -0.104 4.008 4.120 -0.013 0.000 0.245 59 V C 2.615 178.873 176.094 0.273 0.000 1.044 59 V CA 1.492 63.937 62.300 0.241 0.000 1.036 59 V CB -0.630 31.334 31.823 0.235 0.000 0.664 59 V HN 0.364 nan 8.190 nan 0.000 0.453 60 R N 0.288 120.900 120.500 0.187 0.000 2.117 60 R HA -0.238 4.094 4.340 -0.013 0.000 0.243 60 R C 1.974 178.373 176.300 0.165 0.000 1.143 60 R CA 2.201 58.406 56.100 0.176 0.000 0.968 60 R CB -0.471 29.771 30.300 -0.097 0.000 0.863 60 R HN 0.481 nan 8.270 nan 0.000 0.444 61 D N -0.220 120.270 120.400 0.149 0.000 2.158 61 D HA -0.182 4.450 4.640 -0.013 0.000 0.197 61 D C 1.768 178.097 176.300 0.047 0.000 0.995 61 D CA 1.200 55.266 54.000 0.110 0.000 0.846 61 D CB -0.432 40.433 40.800 0.108 0.000 0.941 61 D HN 0.474 nan 8.370 nan 0.000 0.456 62 H N -0.333 118.797 119.070 0.100 0.000 2.491 62 H HA 0.040 4.588 4.556 -0.013 0.000 0.290 62 H C 2.217 177.582 175.328 0.062 0.000 1.050 62 H CA 0.376 56.467 56.048 0.072 0.000 1.309 62 H CB 0.256 30.053 29.762 0.058 0.000 1.392 62 H HN 0.197 nan 8.280 nan 0.000 0.554 63 L N -0.119 121.210 121.223 0.177 0.000 2.179 63 L HA -0.101 4.231 4.340 -0.013 0.000 0.208 63 L C 2.503 179.473 176.870 0.167 0.000 1.096 63 L CA 0.174 55.082 54.840 0.113 0.000 0.779 63 L CB -0.030 42.061 42.059 0.054 0.000 0.922 63 L HN 0.031 nan 8.230 nan 0.000 0.443 64 V N 0.165 120.193 119.914 0.191 0.000 2.255 64 V HA -0.260 3.852 4.120 -0.013 0.000 0.247 64 V C 2.618 178.820 176.094 0.180 0.000 1.051 64 V CA 2.190 64.634 62.300 0.239 0.000 1.018 64 V CB -1.314 30.608 31.823 0.165 0.000 0.641 64 V HN 0.570 nan 8.190 nan 0.000 0.445 65 G N -0.368 108.492 108.800 0.100 0.000 2.446 65 G HA2 -0.267 3.685 3.960 -0.013 0.000 0.217 65 G HA3 -0.267 3.685 3.960 -0.013 0.000 0.217 65 G C 1.739 176.681 174.900 0.070 0.000 1.168 65 G CA 0.911 46.047 45.100 0.060 0.000 0.771 65 G HN 0.455 nan 8.290 nan 0.000 0.551 66 R N -1.454 119.096 120.500 0.083 0.000 2.096 66 R HA -0.077 4.255 4.340 -0.013 0.000 0.235 66 R C 2.255 178.632 176.300 0.129 0.000 1.127 66 R CA 1.160 57.298 56.100 0.063 0.000 0.968 66 R CB -0.334 29.987 30.300 0.036 0.000 0.861 66 R HN 0.486 nan 8.270 nan 0.000 0.440 67 W N 1.464 122.741 121.300 -0.039 0.000 2.379 67 W HA -0.055 4.598 4.660 -0.013 0.000 0.307 67 W C 1.706 178.195 176.519 -0.050 0.000 1.200 67 W CA 0.901 58.221 57.345 -0.042 0.000 1.297 67 W CB -0.594 28.858 29.460 -0.013 0.000 1.140 67 W HN -0.048 nan 8.180 nan 0.000 0.507 68 I N 0.605 121.222 120.570 0.079 0.000 2.226 68 I HA -0.312 3.850 4.170 -0.013 0.000 0.245 68 I C 2.627 178.722 176.117 -0.036 0.000 1.100 68 I CA 2.019 63.283 61.300 -0.060 0.000 1.374 68 I CB -0.654 37.315 38.000 -0.051 0.000 1.057 68 I HN -0.042 nan 8.210 nan 0.000 0.413 69 R N 0.502 120.998 120.500 -0.007 0.000 2.153 69 R HA -0.057 4.275 4.340 -0.013 0.000 0.218 69 R C 1.899 178.162 176.300 -0.062 0.000 1.072 69 R CA 1.448 57.535 56.100 -0.023 0.000 0.990 69 R CB -0.537 29.752 30.300 -0.018 0.000 0.889 69 R HN 0.133 nan 8.270 nan 0.000 0.452 70 T N 1.315 115.813 114.554 -0.094 0.000 2.737 70 T HA -0.090 4.252 4.350 -0.013 0.000 0.265 70 T C 1.663 176.112 174.700 -0.418 0.000 1.038 70 T CA 1.228 63.166 62.100 -0.269 0.000 1.144 70 T CB -0.100 68.646 68.868 -0.203 0.000 0.866 70 T HN 0.267 nan 8.240 nan 0.000 0.434 71 Q N 1.346 121.038 119.800 -0.180 0.000 2.167 71 Q HA -0.123 4.209 4.340 -0.013 0.000 0.202 71 Q C 2.526 178.536 176.000 0.017 0.000 0.970 71 Q CA 1.234 56.999 55.803 -0.063 0.000 0.855 71 Q CB -0.514 28.211 28.738 -0.021 0.000 0.911 71 Q HN 0.814 nan 8.270 nan 0.000 0.438 72 Q N -0.498 119.301 119.800 -0.001 0.000 2.167 72 Q HA -0.205 4.127 4.340 -0.013 0.000 0.202 72 Q C 1.781 177.857 176.000 0.127 0.000 0.970 72 Q CA 1.594 57.437 55.803 0.068 0.000 0.855 72 Q CB -0.546 28.210 28.738 0.029 0.000 0.911 72 Q HN 0.443 nan 8.270 nan 0.000 0.438 73 H N 0.129 119.166 119.070 -0.053 0.000 2.352 73 H HA -0.173 4.375 4.556 -0.013 0.000 0.299 73 H C 1.176 176.557 175.328 0.088 0.000 1.097 73 H CA 2.168 58.192 56.048 -0.040 0.000 1.311 73 H CB -0.169 29.501 29.762 -0.154 0.000 1.377 73 H HN 0.315 nan 8.280 nan 0.000 0.504 74 Y N -1.129 119.218 120.300 0.078 0.000 2.293 74 Y HA -0.168 4.374 4.550 -0.014 0.000 0.291 74 Y C 2.379 178.307 175.900 0.046 0.000 1.137 74 Y CA 0.979 59.096 58.100 0.029 0.000 1.202 74 Y CB -1.298 37.232 38.460 0.118 0.000 0.990 74 Y HN 0.354 nan 8.280 nan 0.000 0.537 75 Y N 1.259 121.639 120.300 0.133 0.000 2.200 75 Y HA -0.178 4.364 4.550 -0.013 0.000 0.290 75 Y C 2.129 178.038 175.900 0.014 0.000 1.137 75 Y CA 1.783 59.924 58.100 0.069 0.000 1.163 75 Y CB -0.026 38.466 38.460 0.054 0.000 0.988 75 Y HN 0.014 nan 8.280 nan 0.000 0.518 76 E N 0.197 120.410 120.200 0.023 0.000 2.107 76 E HA -0.132 4.210 4.350 -0.013 0.000 0.191 76 E C 1.966 178.481 176.600 -0.141 0.000 0.982 76 E CA 1.052 57.406 56.400 -0.076 0.000 0.809 76 E CB -0.141 29.564 29.700 0.010 0.000 0.756 76 E HN 0.515 nan 8.360 nan 0.000 0.459 77 K N 0.560 120.857 120.400 -0.171 0.000 2.314 77 K HA -0.062 4.250 4.320 -0.013 0.000 0.198 77 K C -0.021 176.514 176.600 -0.108 0.000 1.045 77 K CA 0.366 56.553 56.287 -0.167 0.000 0.988 77 K CB 0.114 32.444 32.500 -0.283 0.000 0.783 77 K HN -0.045 nan 8.250 nan 0.000 0.484 78 D N 1.154 121.499 120.400 -0.091 0.000 2.735 78 D HA -0.101 4.531 4.640 -0.013 0.000 0.235 78 D C -2.454 173.815 176.300 -0.051 0.000 1.175 78 D CA 0.081 54.036 54.000 -0.075 0.000 0.683 78 D CB -0.084 40.640 40.800 -0.125 0.000 1.008 78 D HN 0.160 nan 8.370 nan 0.000 0.416 79 P HA 0.122 nan 4.420 nan 0.000 0.277 79 P C -0.184 177.076 177.300 -0.067 0.000 1.271 79 P CA -0.636 62.431 63.100 -0.055 0.000 0.795 79 P CB 0.614 32.273 31.700 -0.070 0.000 1.101 80 K N 1.147 121.510 120.400 -0.062 0.000 2.451 80 K HA 0.038 4.350 4.320 -0.013 0.000 0.280 80 K C 0.141 176.654 176.600 -0.145 0.000 1.020 80 K CA -0.099 56.143 56.287 -0.076 0.000 1.008 80 K CB 0.276 32.748 32.500 -0.047 0.000 0.917 80 K HN 0.291 nan 8.250 nan 0.000 0.478 81 R N 4.412 124.807 120.500 -0.174 0.000 2.368 81 R HA 0.356 4.688 4.340 -0.013 0.000 0.302 81 R C -0.162 175.853 176.300 -0.476 0.000 1.002 81 R CA -0.820 55.091 56.100 -0.315 0.000 0.929 81 R CB 0.769 30.882 30.300 -0.311 0.000 1.073 81 R HN 0.508 nan 8.270 nan 0.000 0.464 82 I N 3.549 123.785 120.570 -0.557 0.000 2.354 82 I HA 0.268 4.430 4.170 -0.013 0.000 0.292 82 I C -0.488 175.303 176.117 -0.544 0.000 0.989 82 I CA -1.011 59.919 61.300 -0.617 0.000 1.188 82 I CB 0.627 38.146 38.000 -0.801 0.000 1.342 82 I HN 0.436 nan 8.210 nan 0.000 0.457 83 Y N 5.802 126.064 120.300 -0.064 0.000 2.356 83 Y HA 0.297 4.839 4.550 -0.013 0.000 0.334 83 Y C -0.310 175.686 175.900 0.161 0.000 0.958 83 Y CA -0.734 57.450 58.100 0.140 0.000 1.196 83 Y CB 1.126 39.631 38.460 0.075 0.000 1.137 83 Y HN 0.399 nan 8.280 nan 0.000 0.485 84 Y N 4.504 124.981 120.300 0.294 0.000 2.454 84 Y HA 0.481 5.023 4.550 -0.013 0.000 0.345 84 Y C -1.221 174.940 175.900 0.436 0.000 0.970 84 Y CA -0.880 57.402 58.100 0.304 0.000 1.204 84 Y CB 0.311 38.949 38.460 0.296 0.000 1.122 84 Y HN 0.510 nan 8.280 nan 0.000 0.514 85 L N 5.031 126.311 121.223 0.094 0.000 2.264 85 L HA 0.495 4.827 4.340 -0.013 0.000 0.289 85 L C -0.220 176.686 176.870 0.059 0.000 1.044 85 L CA 0.109 55.064 54.840 0.191 0.000 0.807 85 L CB 1.374 43.506 42.059 0.121 0.000 1.192 85 L HN 0.566 nan 8.230 nan 0.000 0.425 86 S N 2.595 118.413 115.700 0.196 0.000 2.541 86 S HA 0.475 4.937 4.470 -0.013 0.000 0.271 86 S C 0.295 174.993 174.600 0.163 0.000 1.133 86 S CA -0.614 57.601 58.200 0.025 0.000 0.876 86 S CB 1.027 64.016 63.200 -0.352 0.000 1.105 86 S HN 0.482 nan 8.310 nan 0.000 0.470 87 L N 2.433 123.782 121.223 0.209 0.000 2.599 87 L HA 0.375 4.707 4.340 -0.013 0.000 0.230 87 L C 0.178 177.245 176.870 0.329 0.000 1.141 87 L CA 1.172 56.200 54.840 0.314 0.000 0.877 87 L CB -0.833 41.421 42.059 0.324 0.000 1.009 87 L HN 0.700 nan 8.230 nan 0.000 0.447 88 E N -0.814 119.452 120.200 0.110 0.000 2.275 88 E HA 0.368 4.710 4.350 -0.013 0.000 0.270 88 E C -1.510 174.971 176.600 -0.198 0.000 0.882 88 E CA -0.356 56.085 56.400 0.068 0.000 0.758 88 E CB 2.010 31.717 29.700 0.012 0.000 1.195 88 E HN -0.149 nan 8.360 nan 0.000 0.419 89 F N 2.250 122.304 119.950 0.173 0.000 2.610 89 F HA 0.186 4.705 4.527 -0.014 0.000 0.355 89 F C -0.758 175.124 175.800 0.136 0.000 1.140 89 F CA -0.774 57.315 58.000 0.147 0.000 1.037 89 F CB 0.950 40.029 39.000 0.132 0.000 1.287 89 F HN 0.492 nan 8.300 nan 0.000 0.457 90 Y N 5.269 125.638 120.300 0.115 0.000 2.632 90 Y HA 0.218 4.760 4.550 -0.013 0.000 0.336 90 Y C 0.921 176.834 175.900 0.021 0.000 1.237 90 Y CA -0.978 57.140 58.100 0.031 0.000 1.595 90 Y CB 0.308 38.770 38.460 0.003 0.000 1.508 90 Y HN 0.553 nan 8.280 nan 0.000 0.480 91 M N 1.176 120.883 119.600 0.179 0.000 2.334 91 M HA 0.124 4.596 4.480 -0.013 0.000 0.266 91 M C 1.574 177.834 176.300 -0.067 0.000 1.082 91 M CA 1.043 56.364 55.300 0.036 0.000 1.141 91 M CB -1.120 31.483 32.600 0.005 0.000 1.380 91 M HN 0.673 nan 8.290 nan 0.000 0.440 92 G N 1.310 110.072 108.800 -0.062 0.000 2.569 92 G HA2 -0.278 3.674 3.960 -0.013 0.000 0.259 92 G HA3 -0.278 3.674 3.960 -0.013 0.000 0.259 92 G C -0.220 174.622 174.900 -0.096 0.000 1.263 92 G CA -0.272 44.759 45.100 -0.116 0.000 0.928 92 G HN 0.437 nan 8.290 nan 0.000 0.572 93 R N -0.702 119.726 120.500 -0.120 0.000 2.582 93 R HA 0.555 4.887 4.340 -0.013 0.000 0.271 93 R C 1.149 177.330 176.300 -0.199 0.000 1.078 93 R CA 0.359 56.401 56.100 -0.098 0.000 1.127 93 R CB 0.653 30.904 30.300 -0.081 0.000 1.038 93 R HN 0.529 nan 8.270 nan 0.000 0.500 94 T N 1.105 115.495 114.554 -0.272 0.000 2.978 94 T HA -0.009 4.333 4.350 -0.013 0.000 0.248 94 T C 1.438 175.767 174.700 -0.618 0.000 1.018 94 T CA -0.127 61.599 62.100 -0.622 0.000 1.026 94 T CB 0.121 68.237 68.868 -1.253 0.000 1.032 94 T HN 0.314 nan 8.240 nan 0.000 0.485 95 L N 1.985 123.068 121.223 -0.233 0.000 1.970 95 L HA -0.048 4.284 4.340 -0.013 0.000 0.212 95 L C 2.479 179.312 176.870 -0.061 0.000 1.071 95 L CA 2.033 56.886 54.840 0.021 0.000 0.751 95 L CB -0.727 41.551 42.059 0.365 0.000 0.889 95 L HN 0.187 nan 8.230 nan 0.000 0.432 96 Q N -0.760 119.004 119.800 -0.060 0.000 2.084 96 Q HA -0.258 4.074 4.340 -0.013 0.000 0.202 96 Q C 2.234 178.159 176.000 -0.125 0.000 0.978 96 Q CA 1.907 57.666 55.803 -0.074 0.000 0.844 96 Q CB -0.333 28.360 28.738 -0.075 0.000 0.898 96 Q HN 0.707 nan 8.270 nan 0.000 0.426 97 N N -1.049 117.537 118.700 -0.191 0.000 2.149 97 N HA -0.149 4.583 4.740 -0.013 0.000 0.188 97 N C 1.339 176.737 175.510 -0.187 0.000 1.019 97 N CA 1.791 54.718 53.050 -0.206 0.000 0.857 97 N CB 0.059 38.389 38.487 -0.261 0.000 0.997 97 N HN 0.237 nan 8.380 nan 0.000 0.426 98 T N 1.266 115.675 114.554 -0.242 0.000 2.777 98 T HA -0.052 4.290 4.350 -0.013 0.000 0.266 98 T C 2.065 176.699 174.700 -0.112 0.000 1.040 98 T CA 1.032 63.007 62.100 -0.209 0.000 1.141 98 T CB -0.066 68.630 68.868 -0.287 0.000 0.868 98 T HN 0.265 nan 8.240 nan 0.000 0.444 99 M N 0.630 120.181 119.600 -0.082 0.000 2.117 99 M HA -0.094 4.378 4.480 -0.013 0.000 0.262 99 M C 2.483 178.749 176.300 -0.058 0.000 1.065 99 M CA 1.268 56.534 55.300 -0.056 0.000 1.114 99 M CB -0.704 31.879 32.600 -0.030 0.000 1.361 99 M HN 0.100 nan 8.290 nan 0.000 0.408 100 V N 1.054 120.939 119.914 -0.048 0.000 2.255 100 V HA -0.286 3.826 4.120 -0.013 0.000 0.247 100 V C 1.824 177.933 176.094 0.026 0.000 1.051 100 V CA 1.999 64.300 62.300 0.001 0.000 1.018 100 V CB -0.893 30.930 31.823 0.001 0.000 0.641 100 V HN 0.480 nan 8.190 nan 0.000 0.445 101 N N -0.374 118.324 118.700 -0.004 0.000 2.459 101 N HA -0.031 4.701 4.740 -0.013 0.000 0.181 101 N C 1.089 176.506 175.510 -0.155 0.000 1.046 101 N CA 0.713 53.745 53.050 -0.030 0.000 0.904 101 N CB -0.094 38.381 38.487 -0.019 0.000 0.964 101 N HN 0.295 nan 8.380 nan 0.000 0.444 102 L N -0.159 120.989 121.223 -0.125 0.000 2.640 102 L HA 0.395 4.727 4.340 -0.013 0.000 0.230 102 L C 0.626 177.414 176.870 -0.138 0.000 1.123 102 L CA -0.262 54.503 54.840 -0.126 0.000 0.900 102 L CB -0.752 41.255 42.059 -0.087 0.000 1.146 102 L HN 0.090 nan 8.230 nan 0.000 0.484 103 A N -0.519 122.216 122.820 -0.142 0.000 2.869 103 A HA -0.216 4.096 4.320 -0.013 0.000 0.280 103 A C 1.032 178.559 177.584 -0.095 0.000 1.458 103 A CA 0.926 52.892 52.037 -0.119 0.000 0.776 103 A CB -1.944 16.971 19.000 -0.141 0.000 1.028 103 A HN 0.213 nan 8.150 nan 0.000 0.547 104 L N -0.864 120.303 121.223 -0.093 0.000 2.693 104 L HA 0.258 4.590 4.340 -0.013 0.000 0.235 104 L C 1.817 178.649 176.870 -0.064 0.000 1.127 104 L CA 1.477 56.256 54.840 -0.102 0.000 0.914 104 L CB -0.226 41.744 42.059 -0.148 0.000 1.193 104 L HN 0.626 nan 8.230 nan 0.000 0.502 105 E N -0.108 120.064 120.200 -0.046 0.000 2.031 105 E HA -0.226 4.116 4.350 -0.013 0.000 0.193 105 E C 1.585 178.170 176.600 -0.024 0.000 0.994 105 E CA 1.368 57.751 56.400 -0.028 0.000 0.800 105 E CB 0.264 29.950 29.700 -0.023 0.000 0.752 105 E HN 0.393 nan 8.360 nan 0.000 0.447 106 N N 0.139 118.822 118.700 -0.028 0.000 2.120 106 N HA -0.130 4.602 4.740 -0.013 0.000 0.188 106 N C 1.561 177.056 175.510 -0.026 0.000 1.024 106 N CA 1.231 54.264 53.050 -0.028 0.000 0.852 106 N CB -0.403 38.067 38.487 -0.028 0.000 1.003 106 N HN 0.225 nan 8.380 nan 0.000 0.424 107 A N 0.442 123.244 122.820 -0.029 0.000 1.877 107 A HA -0.156 4.156 4.320 -0.013 0.000 0.216 107 A C 2.664 180.239 177.584 -0.015 0.000 1.186 107 A CA 1.435 53.457 52.037 -0.025 0.000 0.620 107 A CB -1.048 17.929 19.000 -0.039 0.000 0.822 107 A HN 0.446 nan 8.150 nan 0.000 0.443 108 C N -0.869 118.421 119.300 -0.017 0.000 2.440 108 C HA -0.067 4.385 4.460 -0.013 0.000 0.278 108 C C 2.465 177.455 174.990 0.001 0.000 1.295 108 C CA 1.100 60.119 59.018 0.001 0.000 1.738 108 C CB -1.167 26.583 27.740 0.017 0.000 1.987 108 C HN 0.708 nan 8.230 nan 0.000 0.492 109 D N 0.727 121.127 120.400 -0.001 0.000 2.104 109 D HA -0.152 4.480 4.640 -0.013 0.000 0.194 109 D C 2.127 178.438 176.300 0.019 0.000 0.994 109 D CA 1.576 55.578 54.000 0.003 0.000 0.830 109 D CB -0.239 40.551 40.800 -0.016 0.000 0.959 109 D HN 0.470 nan 8.370 nan 0.000 0.452 110 E N 0.101 120.306 120.200 0.009 0.000 2.047 110 E HA -0.031 4.311 4.350 -0.013 0.000 0.191 110 E C 1.892 178.526 176.600 0.057 0.000 0.987 110 E CA 1.508 57.933 56.400 0.041 0.000 0.799 110 E CB -0.590 29.118 29.700 0.013 0.000 0.752 110 E HN 0.218 nan 8.360 nan 0.000 0.449 111 A N -0.056 122.768 122.820 0.006 0.000 1.892 111 A HA -0.244 4.068 4.320 -0.013 0.000 0.218 111 A C 2.500 180.016 177.584 -0.114 0.000 1.188 111 A CA 3.010 55.026 52.037 -0.036 0.000 0.631 111 A CB -1.513 17.470 19.000 -0.028 0.000 0.822 111 A HN 0.524 nan 8.150 nan 0.000 0.447 112 T N -3.856 110.626 114.554 -0.121 0.000 2.857 112 T HA -0.188 4.154 4.350 -0.013 0.000 0.266 112 T C 1.846 176.469 174.700 -0.129 0.000 1.048 112 T CA 1.466 63.438 62.100 -0.214 0.000 1.139 112 T CB -0.575 68.204 68.868 -0.147 0.000 0.874 112 T HN 0.457 nan 8.240 nan 0.000 0.455 113 Y N 2.261 122.483 120.300 -0.130 0.000 2.128 113 Y HA -0.113 4.429 4.550 -0.012 0.000 0.284 113 Y C 2.635 178.475 175.900 -0.101 0.000 1.154 113 Y CA 1.602 59.644 58.100 -0.098 0.000 1.149 113 Y CB -0.529 37.892 38.460 -0.064 0.000 0.976 113 Y HN 0.244 nan 8.280 nan 0.000 0.505 114 Q N -0.926 118.809 119.800 -0.109 0.000 2.291 114 Q HA -0.129 4.203 4.340 -0.013 0.000 0.205 114 Q C 1.528 177.402 176.000 -0.211 0.000 0.970 114 Q CA 0.884 56.585 55.803 -0.170 0.000 0.876 114 Q CB -0.068 28.642 28.738 -0.047 0.000 0.935 114 Q HN 0.361 nan 8.270 nan 0.000 0.455 115 L N -1.030 120.050 121.223 -0.238 0.000 2.591 115 L HA 0.140 4.472 4.340 -0.013 0.000 0.228 115 L C 1.141 177.848 176.870 -0.271 0.000 1.133 115 L CA 1.218 55.902 54.840 -0.259 0.000 0.880 115 L CB -0.328 41.498 42.059 -0.389 0.000 1.033 115 L HN 0.310 nan 8.230 nan 0.000 0.450 116 G N -0.174 108.446 108.800 -0.301 0.000 2.171 116 G HA2 -0.233 3.719 3.960 -0.013 0.000 0.238 116 G HA3 -0.233 3.719 3.960 -0.013 0.000 0.238 116 G C -0.005 174.755 174.900 -0.234 0.000 1.039 116 G CA 0.202 45.137 45.100 -0.276 0.000 0.759 116 G HN 0.268 nan 8.290 nan 0.000 0.501 117 L N -0.342 120.743 121.223 -0.230 0.000 2.341 117 L HA 0.642 4.974 4.340 -0.013 0.000 0.267 117 L C -0.657 176.180 176.870 -0.056 0.000 1.009 117 L CA -1.203 53.531 54.840 -0.177 0.000 0.819 117 L CB 1.952 43.843 42.059 -0.279 0.000 1.323 117 L HN 0.076 nan 8.230 nan 0.000 0.425 118 D N 1.811 122.207 120.400 -0.007 0.000 2.373 118 D HA 0.208 4.840 4.640 -0.013 0.000 0.227 118 D C 0.562 176.890 176.300 0.047 0.000 1.091 118 D CA -0.267 53.758 54.000 0.042 0.000 0.840 118 D CB 1.641 42.472 40.800 0.050 0.000 1.060 118 D HN 0.507 nan 8.370 nan 0.000 0.502 119 M N 3.148 122.777 119.600 0.049 0.000 2.159 119 M HA -0.128 4.344 4.480 -0.013 0.000 0.263 119 M C 1.311 177.653 176.300 0.069 0.000 1.063 119 M CA 1.508 56.845 55.300 0.062 0.000 1.110 119 M CB 0.211 32.841 32.600 0.050 0.000 1.374 119 M HN 0.419 nan 8.290 nan 0.000 0.411 120 E N -0.189 120.043 120.200 0.053 0.000 2.153 120 E HA -0.257 4.085 4.350 -0.013 0.000 0.194 120 E C 1.846 178.479 176.600 0.054 0.000 0.988 120 E CA 1.380 57.809 56.400 0.047 0.000 0.811 120 E CB -0.165 29.559 29.700 0.041 0.000 0.746 120 E HN 0.638 nan 8.360 nan 0.000 0.466 121 E N 0.469 120.706 120.200 0.061 0.000 2.072 121 E HA -0.191 4.151 4.350 -0.013 0.000 0.191 121 E C 1.921 178.563 176.600 0.071 0.000 0.985 121 E CA 0.577 57.015 56.400 0.063 0.000 0.801 121 E CB 0.178 29.917 29.700 0.065 0.000 0.750 121 E HN 0.084 nan 8.360 nan 0.000 0.452 122 L N 1.509 122.795 121.223 0.104 0.000 2.093 122 L HA -0.135 4.197 4.340 -0.013 0.000 0.208 122 L C 2.085 179.021 176.870 0.110 0.000 1.085 122 L CA 1.619 56.554 54.840 0.158 0.000 0.755 122 L CB -0.732 41.469 42.059 0.237 0.000 0.904 122 L HN 0.148 nan 8.230 nan 0.000 0.435 123 E N -0.686 119.567 120.200 0.089 0.000 2.153 123 E HA -0.203 4.139 4.350 -0.013 0.000 0.194 123 E C 1.836 178.404 176.600 -0.054 0.000 0.988 123 E CA 0.825 57.251 56.400 0.043 0.000 0.811 123 E CB 0.024 29.750 29.700 0.042 0.000 0.746 123 E HN 0.408 nan 8.360 nan 0.000 0.466 124 E N 0.225 120.405 120.200 -0.034 0.000 2.338 124 E HA -0.117 4.225 4.350 -0.013 0.000 0.197 124 E C 1.854 178.390 176.600 -0.108 0.000 1.007 124 E CA 0.564 56.942 56.400 -0.038 0.000 0.849 124 E CB 0.042 29.755 29.700 0.021 0.000 0.774 124 E HN 0.416 nan 8.360 nan 0.000 0.506 125 I N 0.766 121.207 120.570 -0.214 0.000 2.617 125 I HA -0.101 4.061 4.170 -0.013 0.000 0.256 125 I C 1.388 177.190 176.117 -0.526 0.000 1.167 125 I CA 0.215 61.316 61.300 -0.331 0.000 1.469 125 I CB 0.061 37.868 38.000 -0.321 0.000 1.098 125 I HN -0.032 nan 8.210 nan 0.000 0.436 126 E N 2.780 122.549 120.200 -0.717 0.000 2.415 126 E HA -0.043 4.299 4.350 -0.013 0.000 0.263 126 E C -0.238 176.270 176.600 -0.153 0.000 0.995 126 E CA -0.213 55.841 56.400 -0.577 0.000 0.915 126 E CB 0.617 30.112 29.700 -0.341 0.000 0.951 126 E HN 0.093 nan 8.360 nan 0.000 0.449 127 E N 3.448 123.655 120.200 0.011 0.000 2.354 127 E HA 0.061 4.403 4.350 -0.013 0.000 0.269 127 E C -0.786 175.916 176.600 0.171 0.000 1.036 127 E CA -0.213 56.278 56.400 0.152 0.000 0.876 127 E CB 0.682 30.568 29.700 0.310 0.000 1.009 127 E HN 0.482 nan 8.360 nan 0.000 0.416 128 D N 0.811 121.281 120.400 0.116 0.000 2.455 128 D HA 0.142 4.774 4.640 -0.013 0.000 0.241 128 D C -0.290 176.027 176.300 0.028 0.000 1.138 128 D CA 0.193 54.227 54.000 0.057 0.000 0.877 128 D CB 0.580 41.392 40.800 0.020 0.000 1.187 128 D HN 0.379 nan 8.370 nan 0.000 0.451 129 A N 2.546 125.324 122.820 -0.069 0.000 2.805 129 A HA 0.459 4.771 4.320 -0.013 0.000 0.301 129 A C 1.034 178.437 177.584 -0.302 0.000 1.557 129 A CA -0.421 51.355 52.037 -0.437 0.000 1.254 129 A CB -0.332 18.498 19.000 -0.284 0.000 1.114 129 A HN 0.531 nan 8.150 nan 0.000 0.553 130 G N 1.914 110.505 108.800 -0.348 0.000 3.717 130 G HA2 0.415 4.367 3.960 -0.013 0.000 0.258 130 G HA3 0.415 4.367 3.960 -0.013 0.000 0.258 130 G C 0.292 175.025 174.900 -0.277 0.000 1.088 130 G CA -0.303 44.725 45.100 -0.121 0.000 1.737 130 G HN 0.686 nan 8.290 nan 0.000 0.648 131 L N 1.338 122.438 121.223 -0.205 0.000 2.939 131 L HA 0.405 4.737 4.340 -0.013 0.000 0.239 131 L C 1.038 177.851 176.870 -0.094 0.000 1.325 131 L CA -0.247 54.548 54.840 -0.075 0.000 1.170 131 L CB -0.287 41.845 42.059 0.122 0.000 1.538 131 L HN 0.326 nan 8.230 nan 0.000 0.452 132 G N -1.319 107.206 108.800 -0.459 0.000 2.623 132 G HA2 0.190 4.142 3.960 -0.013 0.000 0.290 132 G HA3 0.190 4.142 3.960 -0.013 0.000 0.290 132 G C -0.179 174.189 174.900 -0.887 0.000 1.437 132 G CA -0.454 44.306 45.100 -0.567 0.000 0.798 132 G HN -0.098 nan 8.290 nan 0.000 0.488 133 N N -0.807 117.607 118.700 -0.477 0.000 2.368 133 N HA 0.210 4.942 4.740 -0.013 0.000 0.178 133 N C 1.172 176.626 175.510 -0.093 0.000 1.021 133 N CA 1.386 54.272 53.050 -0.274 0.000 0.875 133 N CB 1.073 39.530 38.487 -0.050 0.000 1.020 133 N HN 0.841 nan 8.380 nan 0.000 0.433 134 G N -0.820 108.017 108.800 0.063 0.000 2.818 134 G HA2 0.212 4.164 3.960 -0.013 0.000 0.109 134 G HA3 0.212 4.164 3.960 -0.013 0.000 0.109 134 G C 0.717 175.759 174.900 0.237 0.000 1.206 134 G CA 0.240 45.514 45.100 0.290 0.000 1.243 134 G HN 0.164 nan 8.290 nan 0.000 0.609 135 G N 0.380 109.251 108.800 0.119 0.000 2.440 135 G HA2 -0.069 3.883 3.960 -0.013 0.000 0.218 135 G HA3 -0.069 3.883 3.960 -0.013 0.000 0.218 135 G C 1.880 176.771 174.900 -0.015 0.000 1.154 135 G CA 1.501 46.628 45.100 0.044 0.000 0.767 135 G HN 0.785 nan 8.290 nan 0.000 0.552 136 L N 0.584 121.764 121.223 -0.071 0.000 2.017 136 L HA 0.096 4.428 4.340 -0.013 0.000 0.208 136 L C 2.810 179.602 176.870 -0.131 0.000 1.073 136 L CA 1.988 56.691 54.840 -0.228 0.000 0.745 136 L CB -0.564 41.294 42.059 -0.334 0.000 0.894 136 L HN 0.229 nan 8.230 nan 0.000 0.432 137 G N -0.631 108.152 108.800 -0.028 0.000 2.408 137 G HA2 -0.298 3.654 3.960 -0.013 0.000 0.217 137 G HA3 -0.298 3.654 3.960 -0.013 0.000 0.217 137 G C 1.638 176.609 174.900 0.119 0.000 1.150 137 G CA 0.681 45.791 45.100 0.017 0.000 0.776 137 G HN 0.301 nan 8.290 nan 0.000 0.542 138 R N -0.014 120.597 120.500 0.184 0.000 2.115 138 R HA 0.136 4.468 4.340 -0.013 0.000 0.226 138 R C 2.293 178.595 176.300 0.004 0.000 1.100 138 R CA 0.746 56.921 56.100 0.126 0.000 0.980 138 R CB -0.852 29.490 30.300 0.069 0.000 0.875 138 R HN 0.328 nan 8.270 nan 0.000 0.445 139 L N 0.191 121.347 121.223 -0.113 0.000 2.046 139 L HA -0.018 4.314 4.340 -0.013 0.000 0.208 139 L C 2.092 178.654 176.870 -0.514 0.000 1.077 139 L CA 2.196 56.819 54.840 -0.362 0.000 0.747 139 L CB -0.886 40.926 42.059 -0.412 0.000 0.896 139 L HN 0.254 nan 8.230 nan 0.000 0.432 140 A N -0.622 122.032 122.820 -0.278 0.000 1.908 140 A HA -0.179 4.133 4.320 -0.013 0.000 0.218 140 A C 2.437 180.052 177.584 0.053 0.000 1.181 140 A CA 1.978 53.910 52.037 -0.175 0.000 0.627 140 A CB -1.157 17.714 19.000 -0.214 0.000 0.818 140 A HN 0.581 nan 8.150 nan 0.000 0.445 141 A N -1.074 121.817 122.820 0.119 0.000 1.873 141 A HA -0.148 4.165 4.320 -0.013 0.000 0.215 141 A C 2.318 179.968 177.584 0.109 0.000 1.186 141 A CA 1.622 53.758 52.037 0.165 0.000 0.616 141 A CB -1.277 17.811 19.000 0.148 0.000 0.823 141 A HN 0.603 nan 8.150 nan 0.000 0.442 142 C N -1.416 117.947 119.300 0.106 0.000 2.429 142 C HA -0.073 4.379 4.460 -0.013 0.000 0.277 142 C C 2.430 177.575 174.990 0.258 0.000 1.262 142 C CA 0.626 59.746 59.018 0.170 0.000 1.733 142 C CB -1.642 26.219 27.740 0.201 0.000 2.010 142 C HN 0.600 nan 8.230 nan 0.000 0.483 143 F N 1.192 121.118 119.950 -0.040 0.000 2.134 143 F HA -0.082 4.436 4.527 -0.014 0.000 0.299 143 F C 2.245 177.980 175.800 -0.107 0.000 1.097 143 F CA 1.041 58.966 58.000 -0.125 0.000 1.264 143 F CB -1.384 37.404 39.000 -0.353 0.000 1.001 143 F HN 0.195 nan 8.300 nan 0.000 0.479 144 L N -0.404 120.887 121.223 0.114 0.000 2.046 144 L HA -0.251 4.081 4.340 -0.013 0.000 0.208 144 L C 2.151 179.028 176.870 0.011 0.000 1.077 144 L CA 1.915 56.778 54.840 0.039 0.000 0.747 144 L CB -0.740 41.341 42.059 0.038 0.000 0.896 144 L HN 0.109 nan 8.230 nan 0.000 0.432 145 D N -0.567 119.850 120.400 0.028 0.000 2.097 145 D HA -0.176 4.456 4.640 -0.013 0.000 0.195 145 D C 2.213 178.525 176.300 0.020 0.000 0.989 145 D CA 1.489 55.492 54.000 0.005 0.000 0.827 145 D CB 0.198 40.999 40.800 0.001 0.000 0.966 145 D HN 0.074 nan 8.370 nan 0.000 0.456 146 S N -0.703 115.027 115.700 0.049 0.000 2.382 146 S HA -0.116 4.346 4.470 -0.013 0.000 0.228 146 S C 1.992 176.602 174.600 0.018 0.000 1.027 146 S CA 0.878 59.100 58.200 0.037 0.000 0.991 146 S CB -0.223 63.005 63.200 0.047 0.000 0.823 146 S HN 0.341 nan 8.310 nan 0.000 0.469 147 M N 0.924 120.528 119.600 0.006 0.000 2.159 147 M HA -0.101 4.371 4.480 -0.013 0.000 0.263 147 M C 2.460 178.759 176.300 -0.003 0.000 1.063 147 M CA 1.436 56.736 55.300 -0.001 0.000 1.110 147 M CB -0.514 32.067 32.600 -0.032 0.000 1.374 147 M HN 0.397 nan 8.290 nan 0.000 0.411 148 A N -0.295 122.519 122.820 -0.009 0.000 1.898 148 A HA -0.120 4.192 4.320 -0.013 0.000 0.216 148 A C 2.160 179.754 177.584 0.017 0.000 1.181 148 A CA 2.018 54.053 52.037 -0.004 0.000 0.620 148 A CB -1.045 17.936 19.000 -0.032 0.000 0.819 148 A HN 0.425 nan 8.150 nan 0.000 0.442 149 T N 0.266 114.835 114.554 0.026 0.000 2.867 149 T HA 0.008 4.350 4.350 -0.013 0.000 0.268 149 T C 1.318 176.045 174.700 0.044 0.000 1.057 149 T CA 1.091 63.220 62.100 0.048 0.000 1.136 149 T CB -0.259 68.646 68.868 0.062 0.000 0.874 149 T HN 0.344 nan 8.240 nan 0.000 0.466 150 L N 0.507 121.753 121.223 0.038 0.000 2.629 150 L HA 0.304 4.636 4.340 -0.013 0.000 0.230 150 L C 1.635 178.534 176.870 0.048 0.000 1.151 150 L CA -0.082 54.783 54.840 0.041 0.000 0.924 150 L CB -0.427 41.656 42.059 0.041 0.000 1.137 150 L HN 0.393 nan 8.230 nan 0.000 0.457 151 G N 1.112 109.944 108.800 0.052 0.000 2.249 151 G HA2 -0.289 3.663 3.960 -0.013 0.000 0.273 151 G HA3 -0.289 3.663 3.960 -0.013 0.000 0.273 151 G C 0.139 175.089 174.900 0.083 0.000 1.036 151 G CA 0.064 45.213 45.100 0.082 0.000 0.824 151 G HN 0.295 nan 8.290 nan 0.000 0.504 152 L N -0.145 121.096 121.223 0.029 0.000 2.350 152 L HA 0.593 4.925 4.340 -0.013 0.000 0.275 152 L C 1.244 177.999 176.870 -0.192 0.000 1.099 152 L CA -0.327 54.483 54.840 -0.050 0.000 0.808 152 L CB 1.510 43.549 42.059 -0.032 0.000 1.149 152 L HN 0.252 nan 8.230 nan 0.000 0.442 153 A N 3.103 125.670 122.820 -0.422 0.000 2.981 153 A HA 0.543 4.855 4.320 -0.013 0.000 0.280 153 A C 0.325 177.550 177.584 -0.598 0.000 1.743 153 A CA -0.130 51.366 52.037 -0.902 0.000 1.430 153 A CB -0.702 17.651 19.000 -1.078 0.000 1.085 153 A HN 0.703 nan 8.150 nan 0.000 0.597 154 A N 1.578 124.088 122.820 -0.517 0.000 2.337 154 A HA 0.794 5.106 4.320 -0.013 0.000 0.329 154 A C -1.025 176.274 177.584 -0.475 0.000 1.146 154 A CA -0.466 51.339 52.037 -0.387 0.000 0.800 154 A CB 0.792 19.645 19.000 -0.245 0.000 1.220 154 A HN 0.621 nan 8.150 nan 0.000 0.472 155 Y N 0.355 120.582 120.300 -0.123 0.000 2.373 155 Y HA 0.539 5.081 4.550 -0.013 0.000 0.336 155 Y C 0.828 176.804 175.900 0.128 0.000 0.979 155 Y CA -0.564 57.535 58.100 -0.002 0.000 1.080 155 Y CB 2.431 40.977 38.460 0.144 0.000 1.190 155 Y HN 0.833 nan 8.280 nan 0.000 0.446 156 G N 2.244 111.119 108.800 0.125 0.000 2.325 156 G HA2 0.452 4.404 3.960 -0.013 0.000 0.298 156 G HA3 0.452 4.404 3.960 -0.013 0.000 0.298 156 G C -1.741 173.162 174.900 0.005 0.000 1.134 156 G CA -0.255 44.953 45.100 0.179 0.000 0.876 156 G HN 0.524 nan 8.290 nan 0.000 0.452 157 Y N 1.113 121.638 120.300 0.376 0.000 2.350 157 Y HA 0.628 5.170 4.550 -0.013 0.000 0.338 157 Y C 0.759 176.965 175.900 0.509 0.000 0.961 157 Y CA 0.152 58.443 58.100 0.318 0.000 1.100 157 Y CB 2.649 41.321 38.460 0.353 0.000 1.179 157 Y HN 0.863 nan 8.280 nan 0.000 0.454 158 G N 2.373 111.493 108.800 0.534 0.000 2.753 158 G HA2 0.608 4.560 3.960 -0.013 0.000 0.303 158 G HA3 0.608 4.560 3.960 -0.013 0.000 0.303 158 G C -1.730 173.408 174.900 0.396 0.000 1.242 158 G CA -0.837 44.606 45.100 0.573 0.000 0.810 158 G HN 0.429 nan 8.290 nan 0.000 0.515 159 I N 0.556 121.256 120.570 0.217 0.000 2.441 159 I HA 0.426 4.588 4.170 -0.013 0.000 0.295 159 I C 0.304 176.332 176.117 -0.148 0.000 0.994 159 I CA -0.723 60.591 61.300 0.023 0.000 1.144 159 I CB 2.191 40.027 38.000 -0.274 0.000 1.314 159 I HN 0.340 nan 8.210 nan 0.000 0.445 160 R N 6.105 126.615 120.500 0.017 0.000 2.608 160 R HA 0.219 4.551 4.340 -0.013 0.000 0.277 160 R C -1.254 175.094 176.300 0.079 0.000 1.341 160 R CA -0.420 55.720 56.100 0.067 0.000 1.199 160 R CB -0.053 30.263 30.300 0.027 0.000 1.156 160 R HN 0.396 nan 8.270 nan 0.000 0.558 161 Y N 1.715 122.177 120.300 0.270 0.000 2.425 161 Y HA -0.041 4.501 4.550 -0.013 0.000 0.331 161 Y C 1.440 177.519 175.900 0.298 0.000 1.157 161 Y CA 0.050 58.300 58.100 0.249 0.000 1.372 161 Y CB 0.791 39.380 38.460 0.215 0.000 1.253 161 Y HN 0.550 nan 8.280 nan 0.000 0.536 162 E N 1.924 122.292 120.200 0.280 0.000 2.150 162 E HA -0.086 4.256 4.350 -0.013 0.000 0.193 162 E C -0.704 175.755 176.600 -0.235 0.000 0.985 162 E CA 0.915 57.268 56.400 -0.078 0.000 0.814 162 E CB 0.098 29.625 29.700 -0.287 0.000 0.752 162 E HN 0.409 nan 8.360 nan 0.000 0.466 163 F N -0.060 120.114 119.950 0.373 0.000 2.460 163 F HA 0.391 4.910 4.527 -0.013 0.000 0.341 163 F C 0.820 176.720 175.800 0.166 0.000 1.130 163 F CA -0.991 57.186 58.000 0.295 0.000 0.962 163 F CB 1.762 40.863 39.000 0.168 0.000 1.171 163 F HN -0.173 nan 8.300 nan 0.000 0.436 164 G N 1.845 110.768 108.800 0.206 0.000 2.531 164 G HA2 0.334 4.286 3.960 -0.013 0.000 0.253 164 G HA3 0.334 4.286 3.960 -0.013 0.000 0.253 164 G C -0.491 174.381 174.900 -0.047 0.000 1.439 164 G CA -0.681 44.383 45.100 -0.059 0.000 1.056 164 G HN 0.538 nan 8.290 nan 0.000 0.555 165 I N 0.996 121.465 120.570 -0.168 0.000 2.752 165 I HA 0.178 4.340 4.170 -0.013 0.000 0.289 165 I C 0.569 176.607 176.117 -0.132 0.000 1.197 165 I CA -1.076 60.096 61.300 -0.213 0.000 1.432 165 I CB -0.373 37.405 38.000 -0.370 0.000 1.359 165 I HN 0.323 nan 8.210 nan 0.000 0.571 166 F N 6.279 126.244 119.950 0.026 0.000 2.628 166 F HA 0.213 4.732 4.527 -0.013 0.000 0.362 166 F C 0.577 176.431 175.800 0.089 0.000 1.148 166 F CA -0.582 57.453 58.000 0.060 0.000 1.352 166 F CB -0.393 38.630 39.000 0.037 0.000 1.081 166 F HN 0.427 nan 8.300 nan 0.000 0.605 167 N N 2.470 121.340 118.700 0.284 0.000 2.497 167 N HA 0.029 4.761 4.740 -0.013 0.000 0.268 167 N C -0.726 175.015 175.510 0.386 0.000 1.171 167 N CA -0.214 52.982 53.050 0.242 0.000 0.948 167 N CB 1.080 39.696 38.487 0.214 0.000 1.069 167 N HN 0.763 nan 8.380 nan 0.000 0.460 168 Q N 2.496 122.495 119.800 0.331 0.000 2.303 168 Q HA 0.171 4.503 4.340 -0.013 0.000 0.257 168 Q C -0.969 175.198 176.000 0.279 0.000 0.941 168 Q CA -0.482 55.553 55.803 0.386 0.000 0.931 168 Q CB 0.697 29.668 28.738 0.389 0.000 1.215 168 Q HN 0.239 nan 8.270 nan 0.000 0.437 169 K N 4.199 124.739 120.400 0.234 0.000 2.207 169 K HA 0.464 4.776 4.320 -0.013 0.000 0.255 169 K C -0.577 176.121 176.600 0.163 0.000 0.941 169 K CA -0.896 55.504 56.287 0.189 0.000 0.825 169 K CB 1.556 34.145 32.500 0.148 0.000 1.119 169 K HN 0.622 nan 8.250 nan 0.000 0.430 170 I N 1.968 122.627 120.570 0.148 0.000 2.330 170 I HA 0.160 4.322 4.170 -0.013 0.000 0.289 170 I C -0.138 176.034 176.117 0.091 0.000 1.001 170 I CA -0.724 60.632 61.300 0.094 0.000 1.193 170 I CB 0.870 38.906 38.000 0.060 0.000 1.345 170 I HN 0.472 nan 8.210 nan 0.000 0.461 171 C N 5.086 124.450 119.300 0.107 0.000 2.344 171 C HA 0.628 5.080 4.460 -0.013 0.000 0.326 171 C C 1.139 176.227 174.990 0.162 0.000 1.201 171 C CA 0.221 59.308 59.018 0.114 0.000 1.410 171 C CB -0.080 27.723 27.740 0.105 0.000 2.070 171 C HN 1.100 nan 8.230 nan 0.000 0.445 172 G N 4.012 112.879 108.800 0.112 0.000 2.249 172 G HA2 0.076 4.028 3.960 -0.013 0.000 0.273 172 G HA3 0.076 4.028 3.960 -0.013 0.000 0.273 172 G C 1.188 176.089 174.900 0.002 0.000 1.036 172 G CA 1.139 46.309 45.100 0.116 0.000 0.824 172 G HN 2.560 nan 8.290 nan 0.000 0.504 173 G N -2.915 105.831 108.800 -0.090 0.000 2.179 173 G HA2 -0.293 3.659 3.960 -0.013 0.000 0.260 173 G HA3 -0.293 3.659 3.960 -0.013 0.000 0.260 173 G C 0.352 174.994 174.900 -0.430 0.000 0.977 173 G CA 0.658 45.579 45.100 -0.298 0.000 0.641 173 G HN 1.209 nan 8.290 nan 0.000 0.533 174 W N 0.796 122.042 121.300 -0.089 0.000 2.496 174 W HA 0.654 5.306 4.660 -0.013 0.000 0.327 174 W C 0.637 177.104 176.519 -0.087 0.000 1.086 174 W CA -0.944 56.344 57.345 -0.095 0.000 1.222 174 W CB 0.879 30.300 29.460 -0.065 0.000 1.304 174 W HN 0.239 nan 8.180 nan 0.000 0.547 175 Q N 3.400 123.295 119.800 0.159 0.000 2.289 175 Q HA 0.170 4.502 4.340 -0.013 0.000 0.273 175 Q C -0.515 175.544 176.000 0.099 0.000 1.029 175 Q CA 0.257 56.126 55.803 0.110 0.000 0.896 175 Q CB 0.504 29.301 28.738 0.099 0.000 1.182 175 Q HN 0.322 nan 8.270 nan 0.000 0.385 176 M N 3.207 122.860 119.600 0.088 0.000 2.456 176 M HA 0.378 4.850 4.480 -0.013 0.000 0.324 176 M C -1.017 175.295 176.300 0.020 0.000 1.124 176 M CA -0.686 54.634 55.300 0.032 0.000 0.959 176 M CB 1.751 34.382 32.600 0.050 0.000 1.692 176 M HN 0.588 nan 8.290 nan 0.000 0.444 177 E N 1.761 121.903 120.200 -0.098 0.000 2.175 177 E HA 0.423 4.765 4.350 -0.013 0.000 0.278 177 E C -0.697 175.897 176.600 -0.009 0.000 0.969 177 E CA -0.527 55.783 56.400 -0.150 0.000 0.796 177 E CB 1.488 30.850 29.700 -0.564 0.000 1.104 177 E HN 0.521 nan 8.360 nan 0.000 0.395 178 E N 1.064 121.336 120.200 0.121 0.000 2.288 178 E HA 0.729 5.071 4.350 -0.013 0.000 0.268 178 E C -1.023 175.666 176.600 0.148 0.000 0.885 178 E CA -1.514 54.946 56.400 0.100 0.000 0.767 178 E CB 1.445 31.208 29.700 0.105 0.000 1.220 178 E HN 0.438 nan 8.360 nan 0.000 0.427 179 A N 2.100 124.965 122.820 0.075 0.000 2.546 179 A HA 0.049 4.361 4.320 -0.013 0.000 0.243 179 A C -0.083 177.664 177.584 0.271 0.000 1.063 179 A CA 0.231 52.318 52.037 0.084 0.000 0.757 179 A CB -0.075 18.833 19.000 -0.153 0.000 0.991 179 A HN 0.713 nan 8.150 nan 0.000 0.503 180 D N 1.833 122.465 120.400 0.387 0.000 2.517 180 D HA 0.177 4.809 4.640 -0.013 0.000 0.220 180 D C -0.376 176.267 176.300 0.571 0.000 1.158 180 D CA -0.181 54.061 54.000 0.403 0.000 0.992 180 D CB 0.257 41.229 40.800 0.287 0.000 1.058 180 D HN 0.383 nan 8.370 nan 0.000 0.516 181 D N 3.534 124.230 120.400 0.493 0.000 2.801 181 D HA -0.030 4.602 4.640 -0.013 0.000 0.232 181 D C 1.117 177.544 176.300 0.212 0.000 1.128 181 D CA -0.520 53.682 54.000 0.336 0.000 1.003 181 D CB -0.197 40.800 40.800 0.329 0.000 1.110 181 D HN 0.558 nan 8.370 nan 0.000 0.477 182 W N 1.666 122.997 121.300 0.052 0.000 2.525 182 W HA -0.026 4.627 4.660 -0.013 0.000 0.259 182 W C 0.123 176.692 176.519 0.082 0.000 1.253 182 W CA 0.075 57.473 57.345 0.089 0.000 1.262 182 W CB -0.710 28.807 29.460 0.095 0.000 1.122 182 W HN 0.173 nan 8.180 nan 0.000 0.607 183 L N 0.942 121.793 121.223 -0.621 0.000 2.607 183 L HA 0.185 4.517 4.340 -0.013 0.000 0.228 183 L C 2.750 179.446 176.870 -0.290 0.000 1.123 183 L CA -0.023 54.430 54.840 -0.645 0.000 0.890 183 L CB -0.608 40.947 42.059 -0.840 0.000 1.103 183 L HN -0.113 nan 8.230 nan 0.000 0.468 184 R N 0.505 120.887 120.500 -0.197 0.000 2.113 184 R HA -0.234 4.098 4.340 -0.013 0.000 0.244 184 R C 1.448 177.565 176.300 -0.306 0.000 1.142 184 R CA 2.133 58.075 56.100 -0.264 0.000 0.953 184 R CB -0.193 29.907 30.300 -0.333 0.000 0.860 184 R HN 0.300 nan 8.270 nan 0.000 0.438 185 Y N -0.541 119.774 120.300 0.025 0.000 2.466 185 Y HA 0.323 4.865 4.550 -0.013 0.000 0.272 185 Y C 0.854 176.751 175.900 -0.004 0.000 1.169 185 Y CA 0.482 58.611 58.100 0.050 0.000 1.285 185 Y CB 0.822 39.422 38.460 0.233 0.000 1.078 185 Y HN 0.422 nan 8.280 nan 0.000 0.523 186 G N 1.219 110.068 108.800 0.082 0.000 2.662 186 G HA2 -0.208 3.744 3.960 -0.013 0.000 0.686 186 G HA3 -0.208 3.744 3.960 -0.013 0.000 0.686 186 G C -1.309 173.673 174.900 0.136 0.000 1.271 186 G CA -0.850 44.267 45.100 0.027 0.000 0.816 186 G HN 0.232 nan 8.290 nan 0.000 0.608 187 N N 1.245 119.968 118.700 0.039 0.000 2.524 187 N HA 0.580 5.312 4.740 -0.013 0.000 0.261 187 N C -0.718 174.799 175.510 0.011 0.000 0.998 187 N CA -2.033 51.056 53.050 0.065 0.000 0.915 187 N CB 2.068 40.528 38.487 -0.044 0.000 1.187 187 N HN 0.237 nan 8.380 nan 0.000 0.507 188 P HA 0.029 nan 4.420 nan 0.000 0.229 188 P C 0.605 177.584 177.300 -0.535 0.000 1.160 188 P CA 0.724 63.516 63.100 -0.515 0.000 0.777 188 P CB 0.118 31.222 31.700 -0.994 0.000 0.814 189 W N 1.855 123.157 121.300 0.004 0.000 2.640 189 W HA 0.060 4.712 4.660 -0.013 0.000 0.268 189 W C 1.258 177.810 176.519 0.054 0.000 1.263 189 W CA -0.328 57.015 57.345 -0.004 0.000 1.344 189 W CB -0.312 29.147 29.460 -0.003 0.000 1.093 189 W HN -0.006 nan 8.180 nan 0.000 0.603 190 E N 1.747 122.117 120.200 0.283 0.000 2.349 190 E HA 0.329 4.671 4.350 -0.013 0.000 0.265 190 E C -0.607 176.160 176.600 0.279 0.000 1.064 190 E CA -0.692 55.884 56.400 0.294 0.000 0.886 190 E CB 1.268 31.150 29.700 0.303 0.000 1.036 190 E HN -0.320 nan 8.360 nan 0.000 0.413 191 K N 1.513 122.092 120.400 0.299 0.000 2.545 191 K HA 0.417 4.729 4.320 -0.013 0.000 0.252 191 K C -1.225 175.405 176.600 0.050 0.000 0.948 191 K CA -0.479 55.919 56.287 0.186 0.000 0.827 191 K CB 1.631 34.242 32.500 0.185 0.000 1.128 191 K HN 0.673 nan 8.250 nan 0.000 0.429 192 A N 4.090 126.847 122.820 -0.105 0.000 2.511 192 A HA 0.334 4.646 4.320 -0.013 0.000 0.242 192 A C -0.252 177.179 177.584 -0.256 0.000 1.069 192 A CA -0.061 51.666 52.037 -0.517 0.000 0.763 192 A CB 0.209 18.864 19.000 -0.575 0.000 1.001 192 A HN 0.656 nan 8.150 nan 0.000 0.498 193 R N 3.169 123.526 120.500 -0.239 0.000 2.835 193 R HA 0.207 4.539 4.340 -0.013 0.000 0.290 193 R C -2.349 173.952 176.300 0.000 0.000 1.410 193 R CA -1.766 54.320 56.100 -0.022 0.000 1.590 193 R CB 0.599 30.990 30.300 0.152 0.000 1.288 193 R HN 0.571 nan 8.270 nan 0.000 0.637 194 P HA -0.172 nan 4.420 nan 0.000 0.223 194 P C 0.857 178.132 177.300 -0.041 0.000 1.144 194 P CA 1.030 64.107 63.100 -0.039 0.000 0.783 194 P CB 0.385 32.052 31.700 -0.055 0.000 0.771 195 E N -0.274 119.849 120.200 -0.127 0.000 2.274 195 E HA -0.128 4.214 4.350 -0.013 0.000 0.194 195 E C 0.692 177.062 176.600 -0.384 0.000 0.996 195 E CA 0.840 57.063 56.400 -0.296 0.000 0.840 195 E CB -0.868 28.553 29.700 -0.466 0.000 0.772 195 E HN 0.292 nan 8.360 nan 0.000 0.491 196 F N 1.988 121.956 119.950 0.031 0.000 2.684 196 F HA 0.240 4.759 4.527 -0.013 0.000 0.298 196 F C 0.423 176.324 175.800 0.169 0.000 1.120 196 F CA -0.319 57.733 58.000 0.087 0.000 1.332 196 F CB 0.320 39.368 39.000 0.080 0.000 0.986 196 F HN -0.294 nan 8.300 nan 0.000 0.524 197 T N 2.851 117.545 114.554 0.233 0.000 2.928 197 T HA 0.274 4.616 4.350 -0.013 0.000 0.305 197 T C -0.254 174.544 174.700 0.163 0.000 1.035 197 T CA 0.357 62.591 62.100 0.223 0.000 1.145 197 T CB 0.620 69.569 68.868 0.135 0.000 0.963 197 T HN -0.160 nan 8.240 nan 0.000 0.545 198 L N 5.750 127.042 121.223 0.115 0.000 2.401 198 L HA 0.550 4.882 4.340 -0.013 0.000 0.266 198 L C -2.254 174.572 176.870 -0.073 0.000 0.991 198 L CA -2.599 52.236 54.840 -0.007 0.000 0.818 198 L CB 1.952 43.942 42.059 -0.115 0.000 1.321 198 L HN 0.379 nan 8.230 nan 0.000 0.413 199 P HA 0.364 nan 4.420 nan 0.000 0.284 199 P C -1.125 176.046 177.300 -0.215 0.000 1.253 199 P CA -0.357 62.661 63.100 -0.138 0.000 0.800 199 P CB 1.587 33.200 31.700 -0.145 0.000 0.961 200 V N 3.991 123.765 119.914 -0.233 0.000 2.604 200 V HA 0.329 4.441 4.120 -0.013 0.000 0.305 200 V C 0.193 176.074 176.094 -0.355 0.000 1.043 200 V CA -0.617 61.531 62.300 -0.254 0.000 0.888 200 V CB 1.410 33.126 31.823 -0.178 0.000 0.995 200 V HN 0.598 nan 8.190 nan 0.000 0.429 201 H N 3.773 122.684 119.070 -0.265 0.000 2.472 201 H HA 0.622 5.170 4.556 -0.013 0.000 0.338 201 H C -1.293 173.758 175.328 -0.462 0.000 1.133 201 H CA -0.133 55.687 56.048 -0.380 0.000 1.216 201 H CB 1.895 31.198 29.762 -0.764 0.000 1.497 201 H HN 0.484 nan 8.280 nan 0.000 0.500 202 F N 0.384 120.403 119.950 0.116 0.000 2.613 202 F HA 0.211 4.730 4.527 -0.013 0.000 0.314 202 F C -0.266 175.661 175.800 0.212 0.000 1.075 202 F CA -0.549 57.525 58.000 0.123 0.000 0.945 202 F CB 1.117 40.105 39.000 -0.021 0.000 1.310 202 F HN 0.561 nan 8.300 nan 0.000 0.467 203 Y N 0.182 120.784 120.300 0.503 0.000 2.904 203 Y HA -0.005 4.537 4.550 -0.013 0.000 0.466 203 Y C 1.344 177.496 175.900 0.419 0.000 1.202 203 Y CA 0.651 58.965 58.100 0.358 0.000 2.492 203 Y CB -1.908 36.692 38.460 0.234 0.000 1.237 203 Y HN 1.294 nan 8.280 nan 0.000 0.633 204 G N 0.642 109.718 108.800 0.460 0.000 2.593 204 G HA2 0.100 4.052 3.960 -0.013 0.000 0.237 204 G HA3 0.100 4.052 3.960 -0.013 0.000 0.237 204 G C -0.606 174.503 174.900 0.349 0.000 1.312 204 G CA 0.876 46.169 45.100 0.320 0.000 0.896 204 G HN 1.368 nan 8.290 nan 0.000 0.574 205 R N -2.490 118.211 120.500 0.336 0.000 2.734 205 R HA 0.705 5.037 4.340 -0.013 0.000 0.271 205 R C -1.343 175.094 176.300 0.228 0.000 1.021 205 R CA -1.023 55.219 56.100 0.236 0.000 0.893 205 R CB 1.394 31.781 30.300 0.144 0.000 1.244 205 R HN 0.854 nan 8.270 nan 0.000 0.464 206 V N 0.915 120.881 119.914 0.086 0.000 2.394 206 V HA 0.350 4.462 4.120 -0.013 0.000 0.282 206 V C -0.155 175.876 176.094 -0.104 0.000 1.031 206 V CA -0.457 61.821 62.300 -0.036 0.000 0.881 206 V CB 1.286 33.018 31.823 -0.151 0.000 0.982 206 V HN 0.730 nan 8.190 nan 0.000 0.451 207 E N 2.913 123.027 120.200 -0.143 0.000 2.171 207 E HA 0.412 4.754 4.350 -0.013 0.000 0.271 207 E C -1.088 175.367 176.600 -0.241 0.000 0.916 207 E CA -0.732 55.601 56.400 -0.112 0.000 0.774 207 E CB 0.977 30.665 29.700 -0.021 0.000 1.128 207 E HN 0.719 nan 8.360 nan 0.000 0.403 208 H N 2.584 121.669 119.070 0.025 0.000 2.519 208 H HA 0.217 4.765 4.556 -0.013 0.000 0.316 208 H C 0.104 175.441 175.328 0.015 0.000 1.065 208 H CA -0.300 55.758 56.048 0.016 0.000 1.264 208 H CB 1.339 31.106 29.762 0.009 0.000 1.413 208 H HN 0.573 nan 8.280 nan 0.000 0.465 209 T N -0.695 113.921 114.554 0.105 0.000 2.889 209 T HA 0.198 4.540 4.350 -0.013 0.000 0.278 209 T C 1.417 176.157 174.700 0.066 0.000 0.995 209 T CA -0.790 61.350 62.100 0.068 0.000 0.966 209 T CB 1.099 69.990 68.868 0.039 0.000 1.237 209 T HN 0.340 nan 8.240 nan 0.000 0.591 210 S N -0.224 115.502 115.700 0.044 0.000 2.399 210 S HA -0.068 4.394 4.470 -0.013 0.000 0.231 210 S C 1.471 176.092 174.600 0.035 0.000 1.022 210 S CA 0.973 59.194 58.200 0.035 0.000 0.983 210 S CB -0.395 62.820 63.200 0.025 0.000 0.803 210 S HN 0.719 nan 8.310 nan 0.000 0.480 211 Q N 0.651 120.472 119.800 0.035 0.000 2.296 211 Q HA 0.445 4.777 4.340 -0.013 0.000 0.273 211 Q C 0.566 176.588 176.000 0.037 0.000 0.900 211 Q CA 0.169 55.991 55.803 0.032 0.000 0.993 211 Q CB -0.270 28.482 28.738 0.024 0.000 1.132 211 Q HN 0.464 nan 8.270 nan 0.000 0.439 212 G N -0.261 108.571 108.800 0.054 0.000 2.660 212 G HA2 -0.067 3.885 3.960 -0.013 0.000 0.215 212 G HA3 -0.067 3.885 3.960 -0.013 0.000 0.215 212 G C -0.566 174.371 174.900 0.061 0.000 1.345 212 G CA -0.662 44.480 45.100 0.070 0.000 0.877 212 G HN 0.611 nan 8.290 nan 0.000 0.549 213 A N -0.092 122.749 122.820 0.034 0.000 2.340 213 A HA 0.712 5.024 4.320 -0.013 0.000 0.268 213 A C 0.406 177.950 177.584 -0.068 0.000 1.100 213 A CA 0.332 52.318 52.037 -0.086 0.000 0.803 213 A CB 0.661 19.588 19.000 -0.122 0.000 1.043 213 A HN 0.727 nan 8.150 nan 0.000 0.488 214 K N 0.849 121.195 120.400 -0.090 0.000 2.443 214 K HA 0.191 4.503 4.320 -0.013 0.000 0.252 214 K C -1.892 174.743 176.600 0.059 0.000 0.933 214 K CA -0.344 55.937 56.287 -0.011 0.000 0.792 214 K CB 2.143 34.637 32.500 -0.009 0.000 1.185 214 K HN 0.751 nan 8.250 nan 0.000 0.425 215 W N 5.382 126.602 121.300 -0.133 0.000 2.308 215 W HA 0.345 4.996 4.660 -0.013 0.000 0.311 215 W C -0.619 175.842 176.519 -0.097 0.000 1.088 215 W CA -0.785 56.488 57.345 -0.121 0.000 1.309 215 W CB 0.136 29.510 29.460 -0.144 0.000 1.229 215 W HN 0.292 nan 8.180 nan 0.000 0.427 216 V N 2.743 122.705 119.914 0.081 0.000 3.126 216 V HA 0.618 4.730 4.120 -0.013 0.000 0.314 216 V C -0.240 175.834 176.094 -0.034 0.000 1.138 216 V CA -0.984 61.292 62.300 -0.039 0.000 1.034 216 V CB 2.000 33.829 31.823 0.009 0.000 1.075 216 V HN 0.458 nan 8.190 nan 0.000 0.442 217 D N 0.155 120.536 120.400 -0.031 0.000 2.800 217 D HA -0.136 4.496 4.640 -0.013 0.000 0.232 217 D C 0.518 176.827 176.300 0.015 0.000 1.137 217 D CA 1.536 55.541 54.000 0.008 0.000 0.718 217 D CB -1.689 39.137 40.800 0.043 0.000 1.084 217 D HN 1.329 nan 8.370 nan 0.000 0.432 218 T N -2.835 111.685 114.554 -0.057 0.000 2.899 218 T HA 0.484 4.826 4.350 -0.013 0.000 0.284 218 T C 0.465 175.220 174.700 0.092 0.000 1.004 218 T CA -0.762 61.317 62.100 -0.035 0.000 1.043 218 T CB 1.895 70.595 68.868 -0.280 0.000 1.013 218 T HN 0.048 nan 8.240 nan 0.000 0.518 219 Q N 0.672 120.597 119.800 0.208 0.000 2.243 219 Q HA 0.555 4.887 4.340 -0.013 0.000 0.252 219 Q C -0.896 175.227 176.000 0.205 0.000 0.909 219 Q CA -0.842 55.108 55.803 0.246 0.000 0.922 219 Q CB 1.732 30.697 28.738 0.378 0.000 1.215 219 Q HN 0.519 nan 8.270 nan 0.000 0.427 220 V N 3.086 123.083 119.914 0.137 0.000 2.435 220 V HA 0.412 4.524 4.120 -0.013 0.000 0.290 220 V C -0.321 175.853 176.094 0.132 0.000 1.030 220 V CA -0.667 61.631 62.300 -0.002 0.000 0.881 220 V CB 1.695 33.452 31.823 -0.111 0.000 0.983 220 V HN 0.488 nan 8.190 nan 0.000 0.445 221 V N 5.864 125.870 119.914 0.153 0.000 2.604 221 V HA 0.493 4.605 4.120 -0.013 0.000 0.305 221 V C -0.153 176.034 176.094 0.155 0.000 1.043 221 V CA -0.668 61.737 62.300 0.175 0.000 0.888 221 V CB 1.942 33.943 31.823 0.297 0.000 0.995 221 V HN 0.642 nan 8.190 nan 0.000 0.429 222 L N 3.491 124.796 121.223 0.137 0.000 2.350 222 L HA 0.723 5.055 4.340 -0.013 0.000 0.275 222 L C 0.466 177.511 176.870 0.291 0.000 1.099 222 L CA -0.310 54.617 54.840 0.144 0.000 0.808 222 L CB 1.273 43.395 42.059 0.106 0.000 1.149 222 L HN 0.760 nan 8.230 nan 0.000 0.442 223 A N 5.218 128.160 122.820 0.203 0.000 2.267 223 A HA 0.573 4.885 4.320 -0.013 0.000 0.315 223 A C -0.458 177.397 177.584 0.451 0.000 1.297 223 A CA -0.460 51.734 52.037 0.262 0.000 0.865 223 A CB 0.828 19.539 19.000 -0.482 0.000 1.165 223 A HN 0.784 nan 8.150 nan 0.000 0.513 224 M N 5.962 125.883 119.600 0.536 0.000 2.129 224 M HA 0.447 4.919 4.480 -0.013 0.000 0.348 224 M C -2.605 173.957 176.300 0.436 0.000 1.116 224 M CA -2.184 53.372 55.300 0.427 0.000 1.022 224 M CB 2.001 34.767 32.600 0.278 0.000 1.599 224 M HN 0.342 nan 8.290 nan 0.000 0.449 225 P HA 0.246 nan 4.420 nan 0.000 0.284 225 P C -1.932 175.292 177.300 -0.127 0.000 1.253 225 P CA 0.012 63.002 63.100 -0.184 0.000 0.800 225 P CB 0.498 31.893 31.700 -0.507 0.000 0.961 226 Y N 0.618 120.845 120.300 -0.122 0.000 2.350 226 Y HA 0.332 4.874 4.550 -0.013 0.000 0.338 226 Y C 0.227 176.100 175.900 -0.046 0.000 0.961 226 Y CA -0.300 57.784 58.100 -0.026 0.000 1.100 226 Y CB 1.340 39.820 38.460 0.033 0.000 1.179 226 Y HN 0.221 nan 8.280 nan 0.000 0.454 227 D N 1.876 122.366 120.400 0.150 0.000 2.193 227 D HA 0.406 5.038 4.640 -0.013 0.000 0.244 227 D C -0.624 175.884 176.300 0.346 0.000 1.064 227 D CA -0.233 53.889 54.000 0.203 0.000 0.845 227 D CB 1.728 42.660 40.800 0.220 0.000 1.148 227 D HN 0.373 nan 8.370 nan 0.000 0.464 228 T N 3.265 117.936 114.554 0.195 0.000 2.824 228 T HA 0.466 4.808 4.350 -0.013 0.000 0.282 228 T C -2.522 172.029 174.700 -0.249 0.000 0.993 228 T CA -1.474 60.648 62.100 0.036 0.000 0.967 228 T CB 2.015 70.895 68.868 0.020 0.000 0.960 228 T HN 0.168 nan 8.240 nan 0.000 0.441 229 P HA 0.309 nan 4.420 nan 0.000 0.275 229 P C -0.986 175.982 177.300 -0.553 0.000 1.227 229 P CA -0.395 62.039 63.100 -1.109 0.000 0.781 229 P CB 0.824 31.613 31.700 -1.519 0.000 0.906 230 V N 5.182 124.833 119.914 -0.437 0.000 2.305 230 V HA 0.261 4.373 4.120 -0.013 0.000 0.275 230 V C -2.073 173.882 176.094 -0.231 0.000 1.020 230 V CA -1.923 60.211 62.300 -0.277 0.000 0.811 230 V CB 1.304 33.013 31.823 -0.191 0.000 1.031 230 V HN 0.543 nan 8.190 nan 0.000 0.439 231 P HA 0.269 nan 4.420 nan 0.000 0.280 231 P C 0.362 177.607 177.300 -0.092 0.000 1.244 231 P CA 0.278 63.284 63.100 -0.158 0.000 0.784 231 P CB 1.514 33.117 31.700 -0.160 0.000 0.913 232 G N 2.158 110.922 108.800 -0.060 0.000 2.572 232 G HA2 0.133 4.085 3.960 -0.013 0.000 0.261 232 G HA3 0.133 4.085 3.960 -0.013 0.000 0.261 232 G C -1.143 173.765 174.900 0.015 0.000 1.197 232 G CA -0.569 44.525 45.100 -0.010 0.000 0.870 232 G HN 0.515 nan 8.290 nan 0.000 0.548 233 Y N 0.995 121.255 120.300 -0.067 0.000 2.624 233 Y HA 0.236 4.778 4.550 -0.014 0.000 0.354 233 Y C 1.346 177.207 175.900 -0.064 0.000 1.051 233 Y CA -0.114 57.943 58.100 -0.073 0.000 1.377 233 Y CB -0.129 38.287 38.460 -0.074 0.000 1.168 233 Y HN 0.752 nan 8.280 nan 0.000 0.525 234 R N 2.920 123.151 120.500 -0.448 0.000 3.627 234 R HA -0.321 4.011 4.340 -0.013 0.000 0.281 234 R C 0.152 176.319 176.300 -0.221 0.000 1.140 234 R CA 1.375 57.222 56.100 -0.422 0.000 0.761 234 R CB -2.034 27.850 30.300 -0.693 0.000 1.181 234 R HN 0.949 nan 8.270 nan 0.000 0.472 235 N N -0.818 117.801 118.700 -0.134 0.000 2.177 235 N HA 0.047 4.779 4.740 -0.013 0.000 0.218 235 N C -0.072 175.391 175.510 -0.078 0.000 1.182 235 N CA -0.418 52.583 53.050 -0.082 0.000 0.882 235 N CB 0.484 38.947 38.487 -0.039 0.000 1.052 235 N HN 0.090 nan 8.380 nan 0.000 0.519 236 N N -0.230 118.419 118.700 -0.084 0.000 2.778 236 N HA -0.135 4.597 4.740 -0.013 0.000 0.249 236 N C -0.918 174.550 175.510 -0.070 0.000 1.069 236 N CA 0.613 53.620 53.050 -0.072 0.000 0.831 236 N CB -1.338 37.108 38.487 -0.069 0.000 1.142 236 N HN 0.187 nan 8.380 nan 0.000 0.573 237 V N 1.232 121.108 119.914 -0.063 0.000 2.498 237 V HA 0.392 4.504 4.120 -0.013 0.000 0.279 237 V C 0.646 176.710 176.094 -0.050 0.000 1.048 237 V CA -0.426 61.844 62.300 -0.050 0.000 0.967 237 V CB 2.029 33.847 31.823 -0.009 0.000 0.988 237 V HN -0.025 nan 8.190 nan 0.000 0.473 238 V N 5.431 125.322 119.914 -0.038 0.000 2.419 238 V HA 0.437 4.549 4.120 -0.013 0.000 0.287 238 V C -0.089 176.004 176.094 -0.001 0.000 1.017 238 V CA -0.845 61.406 62.300 -0.082 0.000 0.844 238 V CB 1.449 33.192 31.823 -0.132 0.000 1.011 238 V HN 0.841 nan 8.190 nan 0.000 0.429 239 N N 1.992 120.659 118.700 -0.054 0.000 2.476 239 N HA 0.577 5.309 4.740 -0.013 0.000 0.287 239 N C -0.061 175.434 175.510 -0.025 0.000 1.262 239 N CA -0.311 52.728 53.050 -0.020 0.000 0.980 239 N CB 1.204 39.635 38.487 -0.093 0.000 1.163 239 N HN 0.588 nan 8.380 nan 0.000 0.592 240 T N 0.717 115.258 114.554 -0.020 0.000 2.824 240 T HA 0.394 4.736 4.350 -0.013 0.000 0.282 240 T C -0.256 174.401 174.700 -0.072 0.000 0.993 240 T CA -0.511 61.640 62.100 0.086 0.000 0.967 240 T CB 1.101 70.129 68.868 0.267 0.000 0.960 240 T HN 0.295 nan 8.240 nan 0.000 0.441 241 M N 3.737 123.262 119.600 -0.125 0.000 2.101 241 M HA 0.493 4.965 4.480 -0.013 0.000 0.340 241 M C -0.453 175.694 176.300 -0.255 0.000 1.057 241 M CA -0.737 54.402 55.300 -0.267 0.000 0.984 241 M CB 0.686 33.072 32.600 -0.357 0.000 1.560 241 M HN 0.485 nan 8.290 nan 0.000 0.435 242 R N 6.012 126.256 120.500 -0.427 0.000 2.265 242 R HA 0.603 4.935 4.340 -0.013 0.000 0.328 242 R C -1.909 174.105 176.300 -0.477 0.000 0.969 242 R CA -0.415 55.385 56.100 -0.501 0.000 0.832 242 R CB 0.802 30.628 30.300 -0.789 0.000 1.139 242 R HN 0.806 nan 8.270 nan 0.000 0.457 243 L N 5.010 126.055 121.223 -0.297 0.000 2.322 243 L HA 0.504 4.836 4.340 -0.013 0.000 0.281 243 L C -0.778 176.040 176.870 -0.087 0.000 1.014 243 L CA -0.931 53.831 54.840 -0.130 0.000 0.815 243 L CB 1.452 43.523 42.059 0.020 0.000 1.247 243 L HN 0.571 nan 8.230 nan 0.000 0.421 244 W N 1.815 123.238 121.300 0.206 0.000 2.315 244 W HA 0.480 5.133 4.660 -0.013 0.000 0.316 244 W C 0.543 177.293 176.519 0.386 0.000 1.211 244 W CA -0.178 57.317 57.345 0.249 0.000 1.201 244 W CB 1.464 30.941 29.460 0.028 0.000 1.184 244 W HN 0.342 nan 8.180 nan 0.000 0.544 245 S N 1.810 117.920 115.700 0.684 0.000 2.482 245 S HA 0.776 5.238 4.470 -0.013 0.000 0.303 245 S C -0.477 174.453 174.600 0.550 0.000 1.091 245 S CA -0.716 57.785 58.200 0.501 0.000 1.057 245 S CB 0.655 64.098 63.200 0.405 0.000 1.031 245 S HN 0.525 nan 8.310 nan 0.000 0.485 246 A N 4.744 127.720 122.820 0.260 0.000 2.366 246 A HA 0.661 4.973 4.320 -0.013 0.000 0.272 246 A C -0.167 177.472 177.584 0.091 0.000 1.135 246 A CA -0.300 51.786 52.037 0.081 0.000 0.804 246 A CB 0.375 19.158 19.000 -0.361 0.000 1.064 246 A HN 0.665 nan 8.150 nan 0.000 0.499 247 K N 1.200 121.665 120.400 0.110 0.000 2.468 247 K HA 0.579 4.891 4.320 -0.013 0.000 0.252 247 K C -0.504 176.080 176.600 -0.027 0.000 0.932 247 K CA -0.429 55.887 56.287 0.047 0.000 0.794 247 K CB 2.242 34.802 32.500 0.101 0.000 1.241 247 K HN 0.848 nan 8.250 nan 0.000 0.428 248 A N 4.435 127.176 122.820 -0.132 0.000 2.425 248 A HA 0.410 4.722 4.320 -0.013 0.000 0.249 248 A C -2.075 175.475 177.584 -0.057 0.000 1.084 248 A CA -0.932 50.956 52.037 -0.250 0.000 0.781 248 A CB -0.346 18.341 19.000 -0.522 0.000 1.019 248 A HN 0.343 nan 8.150 nan 0.000 0.490 249 P HA 0.107 nan 4.420 nan 0.000 0.272 249 P C 0.039 177.414 177.300 0.125 0.000 1.230 249 P CA -0.357 62.797 63.100 0.089 0.000 0.788 249 P CB 0.578 32.351 31.700 0.121 0.000 0.949 250 N N 0.799 119.559 118.700 0.099 0.000 2.396 250 N HA -0.116 4.616 4.740 -0.013 0.000 0.180 250 N C 0.697 176.279 175.510 0.122 0.000 1.028 250 N CA 1.070 54.181 53.050 0.100 0.000 0.893 250 N CB -0.496 38.035 38.487 0.073 0.000 0.967 250 N HN 0.537 nan 8.380 nan 0.000 0.440 251 D N -0.978 119.496 120.400 0.123 0.000 2.325 251 D HA -0.054 4.578 4.640 -0.013 0.000 0.225 251 D C -0.000 176.372 176.300 0.120 0.000 1.096 251 D CA -0.559 53.504 54.000 0.105 0.000 0.844 251 D CB -1.051 39.791 40.800 0.071 0.000 0.925 251 D HN 0.072 nan 8.370 nan 0.000 0.513 252 F N 2.009 121.972 119.950 0.023 0.000 2.590 252 F HA 0.082 4.601 4.527 -0.013 0.000 0.389 252 F C 0.655 176.460 175.800 0.008 0.000 1.049 252 F CA 0.175 58.185 58.000 0.017 0.000 1.199 252 F CB 0.102 39.112 39.000 0.017 0.000 1.058 252 F HN -0.147 nan 8.300 nan 0.000 0.556 253 N N 2.722 121.059 118.700 -0.604 0.000 2.778 253 N HA -0.272 4.460 4.740 -0.013 0.000 0.249 253 N C -0.885 174.538 175.510 -0.145 0.000 1.069 253 N CA 1.508 54.312 53.050 -0.409 0.000 0.831 253 N CB -1.307 36.948 38.487 -0.386 0.000 1.142 253 N HN 0.564 nan 8.380 nan 0.000 0.573 259 V N 2.281 122.237 119.914 0.069 0.000 2.323 259 V HA -0.023 4.089 4.120 -0.013 0.000 0.244 259 V C 2.425 178.595 176.094 0.127 0.000 1.041 259 V CA 2.413 64.778 62.300 0.108 0.000 1.025 259 V CB -0.792 31.072 31.823 0.069 0.000 0.656 259 V HN 0.839 nan 8.190 nan 0.000 0.451 260 G N 0.298 109.143 108.800 0.075 0.000 2.469 260 G HA2 -0.199 3.753 3.960 -0.013 0.000 0.219 260 G HA3 -0.199 3.753 3.960 -0.013 0.000 0.219 260 G C 1.627 176.557 174.900 0.050 0.000 1.150 260 G CA 1.115 46.247 45.100 0.053 0.000 0.763 260 G HN 0.590 nan 8.290 nan 0.000 0.561 261 G N -0.171 108.665 108.800 0.060 0.000 2.421 261 G HA2 -0.247 3.705 3.960 -0.013 0.000 0.216 261 G HA3 -0.247 3.705 3.960 -0.013 0.000 0.216 261 G C 1.647 176.590 174.900 0.071 0.000 1.171 261 G CA 1.178 46.309 45.100 0.052 0.000 0.775 261 G HN 0.468 nan 8.290 nan 0.000 0.543 262 Y N 1.269 121.572 120.300 0.006 0.000 2.145 262 Y HA -0.136 4.406 4.550 -0.013 0.000 0.286 262 Y C 2.578 178.489 175.900 0.020 0.000 1.145 262 Y CA 1.238 59.345 58.100 0.012 0.000 1.148 262 Y CB -0.148 38.319 38.460 0.011 0.000 0.981 262 Y HN 0.096 nan 8.280 nan 0.000 0.507 263 I N 0.593 121.112 120.570 -0.085 0.000 2.127 263 I HA -0.311 3.851 4.170 -0.013 0.000 0.241 263 I C 2.402 178.425 176.117 -0.156 0.000 1.075 263 I CA 1.814 63.013 61.300 -0.167 0.000 1.334 263 I CB -1.497 36.506 38.000 0.004 0.000 1.040 263 I HN 0.341 nan 8.210 nan 0.000 0.405 264 Q N 1.030 120.786 119.800 -0.074 0.000 2.096 264 Q HA -0.128 4.204 4.340 -0.013 0.000 0.204 264 Q C 2.242 178.208 176.000 -0.055 0.000 0.982 264 Q CA 2.272 58.047 55.803 -0.046 0.000 0.850 264 Q CB -0.366 28.361 28.738 -0.019 0.000 0.901 264 Q HN 0.485 nan 8.270 nan 0.000 0.422 265 A N -0.813 121.955 122.820 -0.086 0.000 1.902 265 A HA -0.144 4.168 4.320 -0.013 0.000 0.217 265 A C 2.247 179.805 177.584 -0.043 0.000 1.181 265 A CA 1.699 53.696 52.037 -0.067 0.000 0.623 265 A CB -0.782 18.174 19.000 -0.073 0.000 0.818 265 A HN 0.270 nan 8.150 nan 0.000 0.443 266 V N 0.140 119.949 119.914 -0.176 0.000 2.358 266 V HA -0.230 3.882 4.120 -0.013 0.000 0.246 266 V C 2.515 178.581 176.094 -0.045 0.000 1.047 266 V CA 1.846 64.062 62.300 -0.140 0.000 1.035 266 V CB -0.778 30.865 31.823 -0.299 0.000 0.658 266 V HN 0.569 nan 8.190 nan 0.000 0.452 267 L N -0.211 120.981 121.223 -0.051 0.000 2.141 267 L HA -0.146 4.186 4.340 -0.013 0.000 0.209 267 L C 2.050 178.939 176.870 0.031 0.000 1.094 267 L CA 1.215 56.048 54.840 -0.011 0.000 0.763 267 L CB -0.677 41.372 42.059 -0.016 0.000 0.908 267 L HN 0.318 nan 8.230 nan 0.000 0.437 268 D N 0.060 120.503 120.400 0.071 0.000 2.371 268 D HA -0.082 4.550 4.640 -0.013 0.000 0.221 268 D C 2.156 178.612 176.300 0.258 0.000 0.986 268 D CA 0.489 54.581 54.000 0.153 0.000 0.899 268 D CB -0.001 40.892 40.800 0.156 0.000 0.902 268 D HN 0.225 nan 8.370 nan 0.000 0.530 269 R N 0.262 120.859 120.500 0.161 0.000 2.159 269 R HA -0.073 4.259 4.340 -0.013 0.000 0.237 269 R C 1.726 177.929 176.300 -0.162 0.000 1.131 269 R CA 0.927 56.972 56.100 -0.092 0.000 0.982 269 R CB -0.277 29.982 30.300 -0.068 0.000 0.868 269 R HN 0.347 nan 8.270 nan 0.000 0.453 270 N N 0.312 118.987 118.700 -0.043 0.000 2.137 270 N HA -0.196 4.536 4.740 -0.013 0.000 0.190 270 N C 1.270 176.758 175.510 -0.038 0.000 1.017 270 N CA 0.772 53.803 53.050 -0.031 0.000 0.859 270 N CB -0.106 38.384 38.487 0.005 0.000 1.002 270 N HN 0.021 nan 8.380 nan 0.000 0.428 271 L N 1.031 122.250 121.223 -0.007 0.000 2.042 271 L HA -0.153 4.179 4.340 -0.013 0.000 0.210 271 L C 2.422 179.261 176.870 -0.052 0.000 1.076 271 L CA 1.490 56.340 54.840 0.017 0.000 0.749 271 L CB -0.991 41.138 42.059 0.117 0.000 0.893 271 L HN 0.171 nan 8.230 nan 0.000 0.432 272 A N -1.032 121.679 122.820 -0.181 0.000 1.897 272 A HA -0.151 4.161 4.320 -0.013 0.000 0.215 272 A C 2.137 179.600 177.584 -0.201 0.000 1.181 272 A CA 1.296 53.186 52.037 -0.246 0.000 0.620 272 A CB -0.408 18.268 19.000 -0.539 0.000 0.821 272 A HN 0.509 nan 8.150 nan 0.000 0.443 273 E N 0.060 120.154 120.200 -0.176 0.000 2.427 273 E HA -0.064 4.278 4.350 -0.013 0.000 0.196 273 E C 1.011 177.568 176.600 -0.071 0.000 1.028 273 E CA 0.140 56.470 56.400 -0.116 0.000 0.864 273 E CB -0.115 29.537 29.700 -0.080 0.000 0.813 273 E HN 0.444 nan 8.360 nan 0.000 0.514 274 N N 1.058 119.725 118.700 -0.055 0.000 2.443 274 N HA -0.110 4.622 4.740 -0.013 0.000 0.184 274 N C 1.576 177.081 175.510 -0.008 0.000 1.037 274 N CA 0.660 53.706 53.050 -0.005 0.000 0.896 274 N CB -0.057 38.433 38.487 0.005 0.000 0.959 274 N HN 0.267 nan 8.380 nan 0.000 0.442 275 I N 0.325 120.831 120.570 -0.106 0.000 2.194 275 I HA -0.266 3.896 4.170 -0.013 0.000 0.246 275 I C 1.441 177.521 176.117 -0.062 0.000 1.093 275 I CA 1.331 62.537 61.300 -0.157 0.000 1.355 275 I CB -0.251 37.483 38.000 -0.443 0.000 1.046 275 I HN 0.137 nan 8.210 nan 0.000 0.413 276 S N -0.434 115.221 115.700 -0.076 0.000 2.582 276 S HA 0.178 4.640 4.470 -0.013 0.000 0.234 276 S C 1.479 176.203 174.600 0.207 0.000 0.961 276 S CA -0.492 57.746 58.200 0.064 0.000 0.953 276 S CB 0.235 63.457 63.200 0.037 0.000 0.800 276 S HN 0.220 nan 8.310 nan 0.000 0.471 277 R N 1.241 121.872 120.500 0.219 0.000 2.075 277 R HA 0.290 4.622 4.340 -0.013 0.000 0.226 277 R C 0.346 176.901 176.300 0.426 0.000 1.114 277 R CA 1.016 57.288 56.100 0.287 0.000 0.972 277 R CB -0.188 30.248 30.300 0.226 0.000 0.869 277 R HN 0.386 nan 8.270 nan 0.000 0.437 278 V N 0.415 120.547 119.914 0.363 0.000 2.851 278 V HA 0.344 4.456 4.120 -0.013 0.000 0.307 278 V C -1.594 174.482 176.094 -0.030 0.000 1.129 278 V CA -1.380 61.055 62.300 0.226 0.000 0.932 278 V CB 1.775 33.651 31.823 0.088 0.000 1.024 278 V HN 0.142 nan 8.190 nan 0.000 0.426 279 L N 6.913 127.885 121.223 -0.418 0.000 2.410 279 L HA 0.432 4.764 4.340 -0.013 0.000 0.273 279 L C -0.803 175.908 176.870 -0.266 0.000 1.144 279 L CA 0.502 54.888 54.840 -0.755 0.000 0.863 279 L CB 0.331 41.907 42.059 -0.806 0.000 1.140 279 L HN 0.675 nan 8.230 nan 0.000 0.463 280 Y N 7.361 127.567 120.300 -0.157 0.000 2.569 280 Y HA 0.184 4.726 4.550 -0.013 0.000 0.332 280 Y C -1.298 174.586 175.900 -0.026 0.000 1.120 280 Y CA -1.030 57.049 58.100 -0.035 0.000 1.416 280 Y CB 0.400 38.864 38.460 0.007 0.000 1.210 280 Y HN 0.592 nan 8.280 nan 0.000 0.528 281 P HA -0.019 nan 4.420 nan 0.000 0.262 281 P C -0.799 176.625 177.300 0.208 0.000 1.304 281 P CA 0.099 63.298 63.100 0.165 0.000 0.859 281 P CB 0.153 32.035 31.700 0.303 0.000 1.310 282 N N 1.586 120.415 118.700 0.215 0.000 2.415 282 N HA 0.014 4.746 4.740 -0.013 0.000 0.246 282 N C -0.105 175.529 175.510 0.206 0.000 1.078 282 N CA -0.084 53.095 53.050 0.215 0.000 0.942 282 N CB 0.711 39.321 38.487 0.206 0.000 1.140 282 N HN 0.037 nan 8.380 nan 0.000 0.501 283 D N 1.367 121.921 120.400 0.257 0.000 2.431 283 D HA -0.065 4.567 4.640 -0.013 0.000 0.213 283 D C 0.507 177.047 176.300 0.399 0.000 1.130 283 D CA -0.174 53.999 54.000 0.289 0.000 0.834 283 D CB -0.129 40.853 40.800 0.303 0.000 0.985 283 D HN 0.559 nan 8.370 nan 0.000 0.504 284 N N -0.038 118.892 118.700 0.383 0.000 2.510 284 N HA 0.023 4.755 4.740 -0.013 0.000 0.186 284 N C -0.424 175.251 175.510 0.275 0.000 1.051 284 N CA -0.125 53.145 53.050 0.367 0.000 0.877 284 N CB 0.314 38.891 38.487 0.151 0.000 1.183 284 N HN 0.128 nan 8.380 nan 0.000 0.443 285 F N 1.058 121.036 119.950 0.048 0.000 2.585 285 F HA 0.406 4.925 4.527 -0.013 0.000 0.319 285 F C -1.198 174.629 175.800 0.046 0.000 1.165 285 F CA -1.604 56.410 58.000 0.023 0.000 0.949 285 F CB 1.287 40.249 39.000 -0.063 0.000 1.218 285 F HN -0.089 nan 8.300 nan 0.000 0.453 286 F N 5.897 125.529 119.950 -0.529 0.000 2.578 286 F HA 0.282 4.801 4.527 -0.013 0.000 0.381 286 F C -0.242 175.255 175.800 -0.505 0.000 1.069 286 F CA 0.420 58.140 58.000 -0.466 0.000 1.231 286 F CB 0.436 39.144 39.000 -0.487 0.000 1.086 286 F HN 0.508 nan 8.300 nan 0.000 0.564 287 E N 4.059 123.612 120.200 -1.079 0.000 2.165 287 E HA 0.254 4.596 4.350 -0.013 0.000 0.266 287 E C -0.154 175.637 176.600 -1.350 0.000 0.889 287 E CA -0.734 55.112 56.400 -0.923 0.000 0.756 287 E CB 1.682 31.216 29.700 -0.277 0.000 1.131 287 E HN 0.893 nan 8.360 nan 0.000 0.411 288 G N 4.244 112.330 108.800 -1.190 0.000 3.213 288 G HA2 0.015 3.967 3.960 -0.013 0.000 0.263 288 G HA3 0.015 3.967 3.960 -0.013 0.000 0.263 288 G C 0.098 174.953 174.900 -0.075 0.000 0.829 288 G CA -0.191 44.438 45.100 -0.784 0.000 1.983 288 G HN 0.124 nan 8.290 nan 0.000 0.616 289 K N 0.709 121.099 120.400 -0.015 0.000 2.156 289 K HA 0.170 4.482 4.320 -0.013 0.000 0.271 289 K C 0.933 177.675 176.600 0.237 0.000 0.995 289 K CA -0.589 55.772 56.287 0.124 0.000 0.890 289 K CB 2.333 34.891 32.500 0.096 0.000 1.073 289 K HN 0.485 nan 8.250 nan 0.000 0.454 290 E N 1.845 122.154 120.200 0.182 0.000 2.085 290 E HA -0.215 4.127 4.350 -0.013 0.000 0.194 290 E C 1.524 178.164 176.600 0.066 0.000 0.994 290 E CA 1.052 57.517 56.400 0.109 0.000 0.801 290 E CB 0.176 29.940 29.700 0.107 0.000 0.743 290 E HN 0.398 nan 8.360 nan 0.000 0.453 291 L N 1.265 122.565 121.223 0.129 0.000 2.083 291 L HA -0.171 4.161 4.340 -0.013 0.000 0.209 291 L C 2.459 179.426 176.870 0.162 0.000 1.083 291 L CA 1.776 56.709 54.840 0.155 0.000 0.752 291 L CB -0.505 41.712 42.059 0.262 0.000 0.899 291 L HN 0.009 nan 8.230 nan 0.000 0.433 292 R N -0.700 119.837 120.500 0.062 0.000 2.092 292 R HA -0.158 4.174 4.340 -0.013 0.000 0.231 292 R C 2.106 178.449 176.300 0.072 0.000 1.119 292 R CA 1.755 57.812 56.100 -0.071 0.000 0.970 292 R CB -0.958 29.065 30.300 -0.461 0.000 0.864 292 R HN 0.394 nan 8.270 nan 0.000 0.440 293 L N 0.927 122.118 121.223 -0.053 0.000 2.046 293 L HA -0.089 4.243 4.340 -0.013 0.000 0.208 293 L C 1.695 178.511 176.870 -0.091 0.000 1.077 293 L CA 1.911 56.511 54.840 -0.400 0.000 0.747 293 L CB -0.422 41.122 42.059 -0.858 0.000 0.896 293 L HN 0.160 nan 8.230 nan 0.000 0.432 294 K N -0.990 119.404 120.400 -0.011 0.000 2.057 294 K HA -0.207 4.105 4.320 -0.013 0.000 0.207 294 K C 2.084 178.846 176.600 0.270 0.000 1.049 294 K CA 1.811 58.156 56.287 0.097 0.000 0.931 294 K CB -0.216 32.162 32.500 -0.204 0.000 0.714 294 K HN 0.510 nan 8.250 nan 0.000 0.440 295 Q N 0.691 120.615 119.800 0.207 0.000 2.061 295 Q HA -0.203 4.129 4.340 -0.013 0.000 0.204 295 Q C 1.991 178.188 176.000 0.328 0.000 0.984 295 Q CA 1.535 57.514 55.803 0.294 0.000 0.846 295 Q CB -0.053 28.878 28.738 0.321 0.000 0.902 295 Q HN 0.396 nan 8.270 nan 0.000 0.421 296 E N -0.285 120.061 120.200 0.243 0.000 2.077 296 E HA -0.206 4.136 4.350 -0.013 0.000 0.193 296 E C 1.735 178.445 176.600 0.184 0.000 0.989 296 E CA 0.984 57.509 56.400 0.208 0.000 0.800 296 E CB -0.124 29.674 29.700 0.164 0.000 0.746 296 E HN 0.330 nan 8.360 nan 0.000 0.452 297 Y N 0.368 120.711 120.300 0.072 0.000 2.263 297 Y HA -0.195 4.347 4.550 -0.013 0.000 0.292 297 Y C 1.959 177.889 175.900 0.050 0.000 1.130 297 Y CA 0.985 59.083 58.100 -0.004 0.000 1.179 297 Y CB -0.348 38.075 38.460 -0.062 0.000 0.998 297 Y HN 0.009 nan 8.280 nan 0.000 0.532 298 F N -0.328 119.620 119.950 -0.003 0.000 2.091 298 F HA -0.254 4.265 4.527 -0.013 0.000 0.299 298 F C 2.462 178.117 175.800 -0.241 0.000 1.103 298 F CA 2.013 59.963 58.000 -0.084 0.000 1.228 298 F CB -1.031 38.069 39.000 0.167 0.000 0.984 298 F HN -0.047 nan 8.300 nan 0.000 0.477 299 V N -0.525 119.345 119.914 -0.074 0.000 2.358 299 V HA -0.204 3.908 4.120 -0.013 0.000 0.246 299 V C 2.215 178.155 176.094 -0.257 0.000 1.047 299 V CA 1.941 64.168 62.300 -0.122 0.000 1.035 299 V CB -0.368 31.579 31.823 0.208 0.000 0.658 299 V HN 0.255 nan 8.190 nan 0.000 0.452 300 V N 0.452 120.225 119.914 -0.235 0.000 2.295 300 V HA -0.196 3.916 4.120 -0.013 0.000 0.246 300 V C 2.803 178.636 176.094 -0.435 0.000 1.049 300 V CA 2.193 64.338 62.300 -0.259 0.000 1.024 300 V CB -1.112 30.618 31.823 -0.155 0.000 0.648 300 V HN 0.646 nan 8.190 nan 0.000 0.447 301 A N -0.187 122.204 122.820 -0.715 0.000 1.877 301 A HA -0.099 4.213 4.320 -0.013 0.000 0.216 301 A C 2.406 179.616 177.584 -0.624 0.000 1.186 301 A CA 2.119 53.724 52.037 -0.719 0.000 0.620 301 A CB -0.836 17.517 19.000 -1.079 0.000 0.822 301 A HN 0.564 nan 8.150 nan 0.000 0.443 302 A N -1.038 121.250 122.820 -0.887 0.000 1.873 302 A HA -0.067 4.245 4.320 -0.013 0.000 0.215 302 A C 2.315 179.404 177.584 -0.826 0.000 1.186 302 A CA 2.291 53.618 52.037 -1.182 0.000 0.616 302 A CB -1.323 16.310 19.000 -2.278 0.000 0.823 302 A HN 0.428 nan 8.150 nan 0.000 0.442 303 T N 0.325 114.525 114.554 -0.589 0.000 2.684 303 T HA -0.135 4.207 4.350 -0.013 0.000 0.267 303 T C 1.747 176.176 174.700 -0.451 0.000 1.036 303 T CA 1.671 63.531 62.100 -0.400 0.000 1.148 303 T CB -0.355 68.272 68.868 -0.402 0.000 0.863 303 T HN 0.210 nan 8.240 nan 0.000 0.436 304 L N 1.075 122.082 121.223 -0.360 0.000 2.083 304 L HA -0.054 4.278 4.340 -0.013 0.000 0.209 304 L C 2.660 179.418 176.870 -0.186 0.000 1.083 304 L CA 1.577 56.261 54.840 -0.261 0.000 0.752 304 L CB -0.816 41.128 42.059 -0.192 0.000 0.899 304 L HN 0.304 nan 8.230 nan 0.000 0.433 305 Q N -0.995 118.693 119.800 -0.186 0.000 2.084 305 Q HA -0.248 4.084 4.340 -0.013 0.000 0.202 305 Q C 1.832 177.809 176.000 -0.038 0.000 0.978 305 Q CA 1.678 57.424 55.803 -0.096 0.000 0.844 305 Q CB -0.168 28.500 28.738 -0.116 0.000 0.898 305 Q HN 0.441 nan 8.270 nan 0.000 0.426 306 D N 0.494 120.861 120.400 -0.054 0.000 2.117 306 D HA -0.106 4.526 4.640 -0.013 0.000 0.197 306 D C 1.684 177.940 176.300 -0.074 0.000 0.987 306 D CA 0.882 54.901 54.000 0.031 0.000 0.829 306 D CB -0.044 40.879 40.800 0.206 0.000 0.961 306 D HN 0.152 nan 8.370 nan 0.000 0.460 307 I N 0.147 120.557 120.570 -0.267 0.000 2.163 307 I HA -0.262 3.900 4.170 -0.013 0.000 0.243 307 I C 2.322 178.452 176.117 0.022 0.000 1.085 307 I CA 0.836 61.923 61.300 -0.354 0.000 1.347 307 I CB -0.190 37.443 38.000 -0.611 0.000 1.044 307 I HN 0.060 nan 8.210 nan 0.000 0.408 308 I N 0.138 120.775 120.570 0.113 0.000 2.252 308 I HA -0.288 3.874 4.170 -0.013 0.000 0.245 308 I C 2.789 179.071 176.117 0.276 0.000 1.102 308 I CA 1.156 62.635 61.300 0.298 0.000 1.385 308 I CB -0.431 37.697 38.000 0.215 0.000 1.064 308 I HN 0.188 nan 8.210 nan 0.000 0.414 309 R N 1.207 121.805 120.500 0.163 0.000 2.083 309 R HA -0.232 4.100 4.340 -0.013 0.000 0.237 309 R C 2.493 178.881 176.300 0.146 0.000 1.137 309 R CA 1.823 58.010 56.100 0.145 0.000 0.951 309 R CB -0.270 30.108 30.300 0.131 0.000 0.851 309 R HN 0.228 nan 8.270 nan 0.000 0.434 310 R N -0.615 119.967 120.500 0.137 0.000 2.096 310 R HA -0.160 4.172 4.340 -0.013 0.000 0.235 310 R C 2.168 178.570 176.300 0.170 0.000 1.127 310 R CA 1.602 57.785 56.100 0.138 0.000 0.968 310 R CB -0.348 30.014 30.300 0.105 0.000 0.861 310 R HN 0.281 nan 8.270 nan 0.000 0.440 311 F N 1.401 121.391 119.950 0.067 0.000 2.146 311 F HA -0.093 4.426 4.527 -0.013 0.000 0.298 311 F C 1.684 177.496 175.800 0.019 0.000 1.096 311 F CA 1.522 59.552 58.000 0.051 0.000 1.275 311 F CB 0.028 39.109 39.000 0.135 0.000 1.008 311 F HN -0.140 nan 8.300 nan 0.000 0.480 312 K N -0.282 120.082 120.400 -0.061 0.000 2.148 312 K HA -0.022 4.290 4.320 -0.013 0.000 0.204 312 K C 1.352 177.869 176.600 -0.139 0.000 1.050 312 K CA 1.222 57.399 56.287 -0.183 0.000 0.942 312 K CB -0.257 32.243 32.500 -0.000 0.000 0.724 312 K HN 0.093 nan 8.250 nan 0.000 0.446 313 S N 1.484 117.167 115.700 -0.028 0.000 2.767 313 S HA 0.110 4.572 4.470 -0.013 0.000 0.253 313 S C 0.069 174.684 174.600 0.025 0.000 1.082 313 S CA -0.303 57.922 58.200 0.041 0.000 1.148 313 S CB 0.106 63.383 63.200 0.128 0.000 0.808 313 S HN 0.119 nan 8.310 nan 0.000 0.466 325 N N 0.722 119.371 118.700 -0.084 0.000 2.558 325 N HA 0.318 5.050 4.740 -0.013 0.000 0.233 325 N C -0.433 175.133 175.510 0.093 0.000 1.038 325 N CA -0.175 52.896 53.050 0.035 0.000 0.934 325 N CB 0.283 38.794 38.487 0.040 0.000 1.175 325 N HN 0.082 nan 8.380 nan 0.000 0.512 326 F N 1.767 121.829 119.950 0.188 0.000 2.780 326 F HA 0.062 4.581 4.527 -0.013 0.000 0.299 326 F C 1.401 177.266 175.800 0.110 0.000 1.146 326 F CA 0.137 58.220 58.000 0.139 0.000 1.428 326 F CB 0.281 39.258 39.000 -0.038 0.000 1.115 326 F HN 0.478 nan 8.300 nan 0.000 0.583 327 D N 0.324 120.866 120.400 0.236 0.000 2.182 327 D HA -0.168 4.464 4.640 -0.013 0.000 0.201 327 D C 2.175 178.568 176.300 0.155 0.000 0.986 327 D CA 1.305 55.401 54.000 0.159 0.000 0.847 327 D CB -0.195 40.673 40.800 0.113 0.000 0.942 327 D HN 0.234 nan 8.370 nan 0.000 0.467 328 A N -0.784 122.156 122.820 0.200 0.000 2.251 328 A HA 0.103 4.416 4.320 -0.013 0.000 0.209 328 A C 1.619 179.324 177.584 0.202 0.000 1.187 328 A CA -0.263 51.891 52.037 0.194 0.000 0.823 328 A CB -0.765 18.358 19.000 0.204 0.000 0.846 328 A HN 0.211 nan 8.150 nan 0.000 0.486 329 F N 1.935 121.853 119.950 -0.054 0.000 2.065 329 F HA -0.149 4.371 4.527 -0.013 0.000 0.298 329 F C -0.782 174.902 175.800 -0.193 0.000 1.112 329 F CA 2.570 60.318 58.000 -0.419 0.000 1.212 329 F CB -0.529 38.235 39.000 -0.393 0.000 0.975 329 F HN 0.202 nan 8.300 nan 0.000 0.476 330 P HA -0.082 nan 4.420 nan 0.000 0.226 330 P C 0.663 177.916 177.300 -0.078 0.000 1.153 330 P CA 1.333 64.395 63.100 -0.063 0.000 0.777 330 P CB -0.064 31.630 31.700 -0.010 0.000 0.794 331 D N -0.736 119.640 120.400 -0.039 0.000 2.323 331 D HA -0.028 4.604 4.640 -0.013 0.000 0.209 331 D C 1.507 177.791 176.300 -0.027 0.000 0.973 331 D CA 0.922 54.912 54.000 -0.015 0.000 0.874 331 D CB 0.121 40.934 40.800 0.022 0.000 0.930 331 D HN 0.143 nan 8.370 nan 0.000 0.521 332 K N -0.039 120.321 120.400 -0.066 0.000 2.412 332 K HA 0.211 4.523 4.320 -0.013 0.000 0.202 332 K C -0.134 176.377 176.600 -0.148 0.000 1.102 332 K CA 0.080 56.340 56.287 -0.045 0.000 1.027 332 K CB 2.405 34.984 32.500 0.130 0.000 0.931 332 K HN -0.069 nan 8.250 nan 0.000 0.557 333 V N 1.178 120.909 119.914 -0.305 0.000 2.577 333 V HA 0.597 4.709 4.120 -0.013 0.000 0.303 333 V C -0.995 174.994 176.094 -0.175 0.000 1.042 333 V CA -1.248 60.862 62.300 -0.318 0.000 0.872 333 V CB 1.748 33.054 31.823 -0.862 0.000 0.998 333 V HN 0.117 nan 8.190 nan 0.000 0.423 334 A N 5.871 128.643 122.820 -0.080 0.000 2.343 334 A HA 0.927 5.239 4.320 -0.013 0.000 0.316 334 A C -0.919 176.682 177.584 0.028 0.000 1.104 334 A CA -0.495 51.529 52.037 -0.021 0.000 0.768 334 A CB 0.962 19.905 19.000 -0.095 0.000 1.213 334 A HN 0.776 nan 8.150 nan 0.000 0.456 335 I N 1.837 122.468 120.570 0.102 0.000 2.382 335 I HA 0.298 4.460 4.170 -0.013 0.000 0.286 335 I C -0.308 175.894 176.117 0.140 0.000 1.002 335 I CA -0.545 60.828 61.300 0.121 0.000 1.135 335 I CB 1.931 39.987 38.000 0.093 0.000 1.288 335 I HN 0.696 nan 8.210 nan 0.000 0.448 336 Q N 6.742 126.617 119.800 0.126 0.000 2.314 336 Q HA 0.514 4.846 4.340 -0.013 0.000 0.259 336 Q C -1.337 174.640 176.000 -0.037 0.000 0.951 336 Q CA -0.261 55.637 55.803 0.157 0.000 0.909 336 Q CB 1.339 30.275 28.738 0.330 0.000 1.236 336 Q HN 0.567 nan 8.270 nan 0.000 0.444 337 L N 3.780 125.025 121.223 0.036 0.000 2.255 337 L HA 0.402 4.734 4.340 -0.013 0.000 0.289 337 L C 0.043 176.924 176.870 0.018 0.000 1.046 337 L CA -0.759 54.097 54.840 0.026 0.000 0.816 337 L CB 0.699 42.827 42.059 0.116 0.000 1.197 337 L HN 0.563 nan 8.230 nan 0.000 0.427 338 N N 4.295 122.934 118.700 -0.101 0.000 2.508 338 N HA 0.055 4.787 4.740 -0.013 0.000 0.253 338 N C -0.123 175.413 175.510 0.043 0.000 1.145 338 N CA 0.533 53.585 53.050 0.004 0.000 0.973 338 N CB -0.132 38.300 38.487 -0.092 0.000 1.305 338 N HN 0.621 nan 8.380 nan 0.000 0.506 339 D N -0.133 120.371 120.400 0.175 0.000 4.160 339 D HA -0.228 4.404 4.640 -0.013 0.000 0.291 339 D C 0.418 176.805 176.300 0.145 0.000 2.226 339 D CA 1.633 55.713 54.000 0.133 0.000 1.157 339 D CB -0.560 40.059 40.800 -0.302 0.000 1.020 339 D HN 0.503 nan 8.370 nan 0.000 1.219 340 T N -2.576 111.990 114.554 0.020 0.000 3.129 340 T HA 0.090 4.432 4.350 -0.013 0.000 0.251 340 T C 1.639 176.397 174.700 0.098 0.000 1.117 340 T CA 1.544 63.644 62.100 0.001 0.000 1.034 340 T CB -0.515 68.324 68.868 -0.049 0.000 0.968 340 T HN 0.513 nan 8.240 nan 0.000 0.526 341 H N 2.614 121.771 119.070 0.145 0.000 2.352 341 H HA 0.002 4.550 4.556 -0.013 0.000 0.299 341 H C -0.871 174.544 175.328 0.145 0.000 1.097 341 H CA 0.987 57.134 56.048 0.166 0.000 1.311 341 H CB -0.908 28.954 29.762 0.167 0.000 1.377 341 H HN 0.440 nan 8.280 nan 0.000 0.504 342 P HA 0.081 nan 4.420 nan 0.000 0.254 342 P C 0.700 178.041 177.300 0.068 0.000 1.620 342 P CA 0.331 63.508 63.100 0.129 0.000 1.050 342 P CB 0.312 32.077 31.700 0.109 0.000 1.539 343 S N -0.322 115.411 115.700 0.055 0.000 2.440 343 S HA -0.121 4.341 4.470 -0.013 0.000 0.238 343 S C 1.713 176.309 174.600 -0.006 0.000 1.010 343 S CA 0.756 58.949 58.200 -0.011 0.000 0.972 343 S CB -1.448 61.719 63.200 -0.055 0.000 0.774 343 S HN 0.158 nan 8.310 nan 0.000 0.501 344 L N 0.934 122.166 121.223 0.014 0.000 2.549 344 L HA 0.046 4.378 4.340 -0.013 0.000 0.229 344 L C 2.885 179.777 176.870 0.037 0.000 1.158 344 L CA 0.575 55.421 54.840 0.010 0.000 0.842 344 L CB -0.732 41.327 42.059 0.000 0.000 0.952 344 L HN 0.468 nan 8.230 nan 0.000 0.452 345 A N 0.587 123.414 122.820 0.012 0.000 1.978 345 A HA -0.201 4.111 4.320 -0.013 0.000 0.220 345 A C 2.173 179.752 177.584 -0.008 0.000 1.170 345 A CA 1.522 53.555 52.037 -0.008 0.000 0.636 345 A CB -0.448 18.541 19.000 -0.019 0.000 0.810 345 A HN 0.372 nan 8.150 nan 0.000 0.448 346 I N 0.257 120.824 120.570 -0.005 0.000 2.133 346 I HA -0.142 4.020 4.170 -0.013 0.000 0.238 346 I C -0.353 175.781 176.117 0.028 0.000 1.074 346 I CA 1.568 62.864 61.300 -0.006 0.000 1.342 346 I CB -0.975 37.022 38.000 -0.005 0.000 1.053 346 I HN 0.244 nan 8.210 nan 0.000 0.404 347 P HA -0.159 nan 4.420 nan 0.000 0.221 347 P C 1.265 178.601 177.300 0.060 0.000 1.150 347 P CA 1.433 64.572 63.100 0.065 0.000 0.800 347 P CB 0.042 31.800 31.700 0.097 0.000 0.787 348 E N 0.303 120.595 120.200 0.153 0.000 2.072 348 E HA -0.151 4.191 4.350 -0.013 0.000 0.191 348 E C 1.917 178.508 176.600 -0.015 0.000 0.985 348 E CA 0.684 57.186 56.400 0.170 0.000 0.801 348 E CB -1.213 28.625 29.700 0.231 0.000 0.750 348 E HN -0.006 nan 8.360 nan 0.000 0.452 349 L N -0.006 121.177 121.223 -0.068 0.000 2.046 349 L HA -0.114 4.218 4.340 -0.013 0.000 0.208 349 L C 2.094 178.828 176.870 -0.227 0.000 1.077 349 L CA 1.770 56.513 54.840 -0.163 0.000 0.747 349 L CB -0.576 41.389 42.059 -0.157 0.000 0.896 349 L HN 0.240 nan 8.230 nan 0.000 0.432 350 M N -0.822 118.659 119.600 -0.198 0.000 2.108 350 M HA -0.225 4.247 4.480 -0.013 0.000 0.261 350 M C 2.435 178.577 176.300 -0.264 0.000 1.066 350 M CA 1.578 56.710 55.300 -0.281 0.000 1.107 350 M CB -1.236 31.182 32.600 -0.303 0.000 1.356 350 M HN 0.334 nan 8.290 nan 0.000 0.406 351 R N 0.061 120.433 120.500 -0.214 0.000 2.083 351 R HA -0.136 4.196 4.340 -0.013 0.000 0.237 351 R C 2.070 178.268 176.300 -0.171 0.000 1.137 351 R CA 1.720 57.693 56.100 -0.212 0.000 0.951 351 R CB -0.193 29.930 30.300 -0.295 0.000 0.851 351 R HN 0.219 nan 8.270 nan 0.000 0.434 352 V N 1.438 121.251 119.914 -0.169 0.000 2.295 352 V HA -0.254 3.858 4.120 -0.013 0.000 0.246 352 V C 2.405 178.339 176.094 -0.267 0.000 1.049 352 V CA 1.728 63.920 62.300 -0.179 0.000 1.024 352 V CB -0.413 31.303 31.823 -0.178 0.000 0.648 352 V HN 0.341 nan 8.190 nan 0.000 0.447 353 L N -0.652 120.352 121.223 -0.364 0.000 2.056 353 L HA -0.110 4.222 4.340 -0.013 0.000 0.207 353 L C 2.386 179.076 176.870 -0.301 0.000 1.078 353 L CA 1.036 55.595 54.840 -0.469 0.000 0.749 353 L CB -0.575 41.157 42.059 -0.545 0.000 0.901 353 L HN 0.203 nan 8.230 nan 0.000 0.433 354 V N -0.577 119.203 119.914 -0.224 0.000 2.331 354 V HA -0.176 3.936 4.120 -0.013 0.000 0.242 354 V C 1.958 178.010 176.094 -0.070 0.000 1.034 354 V CA 1.660 63.890 62.300 -0.116 0.000 1.027 354 V CB -0.348 31.439 31.823 -0.061 0.000 0.667 354 V HN 0.339 nan 8.190 nan 0.000 0.457 355 D N 0.004 120.358 120.400 -0.078 0.000 2.162 355 D HA -0.009 4.623 4.640 -0.013 0.000 0.203 355 D C 2.039 178.312 176.300 -0.046 0.000 0.967 355 D CA 1.178 55.149 54.000 -0.048 0.000 0.840 355 D CB 0.048 40.816 40.800 -0.053 0.000 0.972 355 D HN 0.326 nan 8.370 nan 0.000 0.482 356 L N 0.185 121.366 121.223 -0.070 0.000 2.286 356 L HA 0.114 4.446 4.340 -0.013 0.000 0.203 356 L C 1.876 178.717 176.870 -0.048 0.000 1.068 356 L CA 0.524 55.334 54.840 -0.050 0.000 0.811 356 L CB 0.026 42.056 42.059 -0.049 0.000 0.989 356 L HN -0.184 nan 8.230 nan 0.000 0.467 357 E N 0.388 120.527 120.200 -0.103 0.000 2.447 357 E HA 0.034 4.376 4.350 -0.013 0.000 0.195 357 E C 0.094 176.660 176.600 -0.057 0.000 1.028 357 E CA -0.035 56.312 56.400 -0.089 0.000 0.876 357 E CB 0.351 29.890 29.700 -0.270 0.000 0.885 357 E HN 0.207 nan 8.360 nan 0.000 0.500 358 R N -0.201 120.262 120.500 -0.062 0.000 3.656 358 R HA -0.186 4.146 4.340 -0.013 0.000 0.297 358 R C -0.333 175.955 176.300 -0.021 0.000 1.166 358 R CA 0.254 56.340 56.100 -0.024 0.000 0.799 358 R CB -2.829 27.474 30.300 0.005 0.000 1.285 358 R HN 0.082 nan 8.270 nan 0.000 0.477 359 L N 2.216 123.398 121.223 -0.068 0.000 2.436 359 L HA 0.141 4.473 4.340 -0.013 0.000 0.265 359 L C 1.466 178.330 176.870 -0.010 0.000 1.168 359 L CA 0.251 55.060 54.840 -0.051 0.000 0.815 359 L CB 0.404 42.386 42.059 -0.129 0.000 1.109 359 L HN 0.138 nan 8.230 nan 0.000 0.462 360 D N 1.010 121.429 120.400 0.030 0.000 2.362 360 D HA -0.145 4.487 4.640 -0.013 0.000 0.242 360 D C 0.917 177.286 176.300 0.116 0.000 1.132 360 D CA -0.503 53.548 54.000 0.086 0.000 0.907 360 D CB 0.727 41.583 40.800 0.092 0.000 1.195 360 D HN 0.624 nan 8.370 nan 0.000 0.429 361 W N 2.064 123.366 121.300 0.004 0.000 2.317 361 W HA -0.229 4.423 4.660 -0.013 0.000 0.318 361 W C 1.039 177.601 176.519 0.072 0.000 1.227 361 W CA 1.886 59.241 57.345 0.016 0.000 1.269 361 W CB -0.261 29.189 29.460 -0.018 0.000 1.155 361 W HN 0.464 nan 8.180 nan 0.000 0.484 362 D N 0.299 120.894 120.400 0.326 0.000 2.117 362 D HA -0.200 4.432 4.640 -0.013 0.000 0.197 362 D C 1.887 178.288 176.300 0.168 0.000 0.987 362 D CA 1.945 56.110 54.000 0.276 0.000 0.829 362 D CB -0.403 40.530 40.800 0.222 0.000 0.961 362 D HN 0.093 nan 8.370 nan 0.000 0.460 363 K N 1.217 121.674 120.400 0.095 0.000 2.025 363 K HA 0.020 4.332 4.320 -0.013 0.000 0.207 363 K C 1.861 178.451 176.600 -0.017 0.000 1.049 363 K CA 1.447 57.762 56.287 0.047 0.000 0.933 363 K CB -0.566 31.958 32.500 0.040 0.000 0.714 363 K HN -0.012 nan 8.250 nan 0.000 0.438 364 A N 0.758 123.525 122.820 -0.087 0.000 1.883 364 A HA -0.205 4.107 4.320 -0.013 0.000 0.217 364 A C 2.264 179.751 177.584 -0.162 0.000 1.186 364 A CA 1.608 53.525 52.037 -0.200 0.000 0.624 364 A CB -1.291 17.525 19.000 -0.307 0.000 0.822 364 A HN 0.710 nan 8.150 nan 0.000 0.444 365 W N 0.627 121.715 121.300 -0.353 0.000 2.363 365 W HA -0.176 4.476 4.660 -0.013 0.000 0.296 365 W C 2.003 178.462 176.519 -0.101 0.000 1.212 365 W CA 1.846 59.033 57.345 -0.263 0.000 1.260 365 W CB -0.102 29.234 29.460 -0.206 0.000 1.131 365 W HN 0.637 nan 8.180 nan 0.000 0.530 366 E N 0.108 120.293 120.200 -0.024 0.000 2.051 366 E HA -0.224 4.118 4.350 -0.013 0.000 0.192 366 E C 2.047 178.571 176.600 -0.127 0.000 0.991 366 E CA 1.953 58.307 56.400 -0.076 0.000 0.799 366 E CB -0.357 29.356 29.700 0.021 0.000 0.748 366 E HN 0.045 nan 8.360 nan 0.000 0.449 367 V N 0.813 120.668 119.914 -0.098 0.000 2.295 367 V HA -0.266 3.846 4.120 -0.013 0.000 0.246 367 V C 2.410 178.442 176.094 -0.103 0.000 1.049 367 V CA 2.205 64.467 62.300 -0.064 0.000 1.024 367 V CB -0.796 30.987 31.823 -0.066 0.000 0.648 367 V HN 0.397 nan 8.190 nan 0.000 0.447 368 T N 0.039 114.460 114.554 -0.222 0.000 2.652 368 T HA -0.182 4.160 4.350 -0.013 0.000 0.267 368 T C 1.953 176.475 174.700 -0.298 0.000 1.039 368 T CA 1.797 63.739 62.100 -0.265 0.000 1.153 368 T CB -0.306 68.349 68.868 -0.355 0.000 0.863 368 T HN 0.274 nan 8.240 nan 0.000 0.428 369 V N 1.438 121.059 119.914 -0.488 0.000 2.287 369 V HA -0.189 3.923 4.120 -0.013 0.000 0.248 369 V C 2.379 178.426 176.094 -0.079 0.000 1.053 369 V CA 1.676 63.747 62.300 -0.382 0.000 1.027 369 V CB -0.507 31.015 31.823 -0.503 0.000 0.646 369 V HN 0.464 nan 8.190 nan 0.000 0.447 370 K N -0.523 119.813 120.400 -0.107 0.000 2.283 370 K HA -0.104 4.208 4.320 -0.013 0.000 0.202 370 K C 2.093 178.651 176.600 -0.070 0.000 1.048 370 K CA 1.578 57.780 56.287 -0.142 0.000 0.948 370 K CB -0.215 32.207 32.500 -0.130 0.000 0.742 370 K HN 0.481 nan 8.250 nan 0.000 0.458 371 T N 0.092 114.669 114.554 0.039 0.000 2.939 371 T HA 0.022 4.364 4.350 -0.013 0.000 0.254 371 T C 0.880 175.685 174.700 0.176 0.000 1.041 371 T CA 0.408 62.567 62.100 0.098 0.000 1.142 371 T CB 0.130 69.087 68.868 0.148 0.000 0.874 371 T HN 0.163 nan 8.240 nan 0.000 0.452 372 C N 2.252 121.641 119.300 0.149 0.000 2.365 372 C HA 0.895 5.347 4.460 -0.013 0.000 0.351 372 C C 0.550 175.592 174.990 0.086 0.000 1.240 372 C CA -1.202 57.880 59.018 0.106 0.000 2.062 372 C CB 0.261 28.004 27.740 0.004 0.000 2.387 372 C HN 0.596 nan 8.230 nan 0.000 0.537 373 A N 1.959 124.822 122.820 0.071 0.000 2.539 373 A HA 0.792 5.104 4.320 -0.013 0.000 0.296 373 A C -1.625 176.022 177.584 0.105 0.000 1.073 373 A CA -0.432 51.594 52.037 -0.018 0.000 0.700 373 A CB 1.122 20.103 19.000 -0.031 0.000 1.296 373 A HN 0.957 nan 8.150 nan 0.000 0.405 374 Y N 0.908 121.150 120.300 -0.096 0.000 2.391 374 Y HA 0.632 5.175 4.550 -0.013 0.000 0.341 374 Y C -0.605 175.267 175.900 -0.046 0.000 0.965 374 Y CA -0.318 57.736 58.100 -0.076 0.000 1.067 374 Y CB 2.096 40.468 38.460 -0.146 0.000 1.199 374 Y HN 0.581 nan 8.280 nan 0.000 0.450 375 T N 6.504 120.809 114.554 -0.415 0.000 2.758 375 T HA 0.201 4.543 4.350 -0.013 0.000 0.285 375 T C -0.774 173.430 174.700 -0.826 0.000 0.981 375 T CA -0.802 60.990 62.100 -0.513 0.000 0.965 375 T CB 0.517 69.330 68.868 -0.092 0.000 0.927 375 T HN 0.657 nan 8.240 nan 0.000 0.448 376 N N 1.680 119.909 118.700 -0.786 0.000 2.473 376 N HA 0.146 4.878 4.740 -0.013 0.000 0.291 376 N C 0.007 175.356 175.510 -0.269 0.000 1.083 376 N CA -0.358 52.473 53.050 -0.365 0.000 0.951 376 N CB 0.818 39.285 38.487 -0.034 0.000 1.164 376 N HN 0.677 nan 8.380 nan 0.000 0.480 377 H N 0.778 119.869 119.070 0.035 0.000 3.058 377 H HA 0.168 4.716 4.556 -0.013 0.000 0.266 377 H C -0.204 175.033 175.328 -0.153 0.000 1.135 377 H CA -0.036 55.976 56.048 -0.060 0.000 1.174 377 H CB 1.204 30.941 29.762 -0.042 0.000 1.581 377 H HN 0.513 nan 8.280 nan 0.000 0.553 378 T N 0.354 114.926 114.554 0.030 0.000 2.830 378 T HA 0.233 4.575 4.350 -0.013 0.000 0.322 378 T C 0.465 175.184 174.700 0.031 0.000 1.501 378 T CA -0.354 61.716 62.100 -0.050 0.000 1.036 378 T CB 1.471 70.292 68.868 -0.079 0.000 1.379 378 T HN -0.035 nan 8.240 nan 0.000 0.493 379 V N 1.617 121.515 119.914 -0.026 0.000 3.643 379 V HA 0.551 4.663 4.120 -0.013 0.000 0.280 379 V C 0.655 176.709 176.094 -0.067 0.000 1.351 379 V CA 0.029 62.297 62.300 -0.053 0.000 1.073 379 V CB -0.409 31.384 31.823 -0.051 0.000 0.863 379 V HN 0.683 nan 8.190 nan 0.000 0.436 380 L N 3.080 124.258 121.223 -0.076 0.000 2.477 380 L HA 0.239 4.571 4.340 -0.013 0.000 0.272 380 L C -0.694 176.168 176.870 -0.013 0.000 1.157 380 L CA -1.037 53.782 54.840 -0.035 0.000 0.889 380 L CB 0.890 42.920 42.059 -0.048 0.000 1.158 380 L HN 0.142 nan 8.230 nan 0.000 0.473 381 P HA -0.185 nan 4.420 nan 0.000 0.218 381 P C 0.991 178.278 177.300 -0.022 0.000 1.149 381 P CA 1.077 64.170 63.100 -0.012 0.000 0.817 381 P CB 0.090 31.792 31.700 0.003 0.000 0.785 382 E N 0.521 120.736 120.200 0.025 0.000 2.418 382 E HA -0.062 4.280 4.350 -0.013 0.000 0.197 382 E C 1.574 178.112 176.600 -0.103 0.000 1.026 382 E CA 1.081 57.475 56.400 -0.009 0.000 0.862 382 E CB -0.754 29.094 29.700 0.246 0.000 0.799 382 E HN 0.192 nan 8.360 nan 0.000 0.518 383 A N 1.205 124.012 122.820 -0.022 0.000 2.195 383 A HA 0.248 4.560 4.320 -0.013 0.000 0.210 383 A C 1.293 178.855 177.584 -0.038 0.000 1.165 383 A CA -0.300 51.741 52.037 0.008 0.000 0.806 383 A CB -0.067 18.962 19.000 0.048 0.000 0.847 383 A HN 0.144 nan 8.150 nan 0.000 0.482 384 L N 1.300 122.454 121.223 -0.114 0.000 2.380 384 L HA 0.172 4.504 4.340 -0.013 0.000 0.273 384 L C -0.062 176.493 176.870 -0.524 0.000 1.138 384 L CA -0.277 54.446 54.840 -0.195 0.000 0.832 384 L CB 0.702 42.681 42.059 -0.134 0.000 1.124 384 L HN 0.315 nan 8.230 nan 0.000 0.454 385 E N 3.882 123.683 120.200 -0.666 0.000 2.217 385 E HA 0.203 4.545 4.350 -0.013 0.000 0.279 385 E C -0.637 175.345 176.600 -1.030 0.000 1.068 385 E CA -0.120 55.440 56.400 -1.400 0.000 0.882 385 E CB 0.675 29.889 29.700 -0.811 0.000 1.039 385 E HN 0.393 nan 8.360 nan 0.000 0.418 386 R N 3.739 123.497 120.500 -1.237 0.000 2.472 386 R HA 0.191 4.523 4.340 -0.013 0.000 0.294 386 R C -1.235 174.899 176.300 -0.276 0.000 1.243 386 R CA -0.562 55.242 56.100 -0.494 0.000 1.023 386 R CB 0.794 30.933 30.300 -0.269 0.000 1.157 386 R HN 0.452 nan 8.270 nan 0.000 0.530 387 W N 4.414 125.667 121.300 -0.078 0.000 2.311 387 W HA 0.255 4.907 4.660 -0.013 0.000 0.310 387 W C -1.888 174.612 176.519 -0.031 0.000 1.274 387 W CA -2.058 55.307 57.345 0.034 0.000 1.215 387 W CB 0.701 30.157 29.460 -0.007 0.000 1.227 387 W HN 0.252 nan 8.180 nan 0.000 0.523 388 P HA -0.091 nan 4.420 nan 0.000 0.264 388 P C 0.787 178.025 177.300 -0.103 0.000 1.193 388 P CA 0.217 63.293 63.100 -0.041 0.000 0.763 388 P CB 0.751 32.264 31.700 -0.312 0.000 0.810 389 V N 3.286 123.189 119.914 -0.018 0.000 2.392 389 V HA -0.287 3.825 4.120 -0.013 0.000 0.249 389 V C 2.146 178.246 176.094 0.010 0.000 1.059 389 V CA 2.541 64.853 62.300 0.020 0.000 1.051 389 V CB -1.690 30.206 31.823 0.121 0.000 0.658 389 V HN 0.762 nan 8.190 nan 0.000 0.455 390 H N -0.942 118.190 119.070 0.104 0.000 2.421 390 H HA -0.103 4.445 4.556 -0.013 0.000 0.298 390 H C 2.013 177.396 175.328 0.091 0.000 1.087 390 H CA 1.700 57.805 56.048 0.095 0.000 1.330 390 H CB -0.663 29.156 29.762 0.095 0.000 1.388 390 H HN 0.354 nan 8.280 nan 0.000 0.526 391 L N -0.039 121.057 121.223 -0.211 0.000 2.027 391 L HA -0.110 4.222 4.340 -0.013 0.000 0.206 391 L C 2.427 179.264 176.870 -0.056 0.000 1.074 391 L CA 1.135 55.948 54.840 -0.045 0.000 0.745 391 L CB -0.291 41.738 42.059 -0.050 0.000 0.898 391 L HN 0.314 nan 8.230 nan 0.000 0.433 392 L N -0.716 120.446 121.223 -0.101 0.000 2.141 392 L HA -0.211 4.121 4.340 -0.013 0.000 0.209 392 L C 2.472 179.284 176.870 -0.096 0.000 1.094 392 L CA 0.999 55.750 54.840 -0.150 0.000 0.763 392 L CB -0.409 41.546 42.059 -0.173 0.000 0.908 392 L HN 0.297 nan 8.230 nan 0.000 0.437 393 E N -0.337 119.849 120.200 -0.023 0.000 2.085 393 E HA -0.214 4.128 4.350 -0.013 0.000 0.194 393 E C 1.956 178.597 176.600 0.068 0.000 0.994 393 E CA 1.965 58.383 56.400 0.030 0.000 0.801 393 E CB 0.136 29.892 29.700 0.094 0.000 0.743 393 E HN 0.426 nan 8.360 nan 0.000 0.453 394 T N 0.615 115.234 114.554 0.107 0.000 2.852 394 T HA -0.076 4.266 4.350 -0.013 0.000 0.256 394 T C 1.736 176.550 174.700 0.189 0.000 1.038 394 T CA 0.680 62.895 62.100 0.192 0.000 1.141 394 T CB -0.130 68.885 68.868 0.245 0.000 0.869 394 T HN 0.058 nan 8.240 nan 0.000 0.439 395 L N 0.048 121.282 121.223 0.018 0.000 2.095 395 L HA 0.332 4.665 4.340 -0.013 0.000 0.204 395 L C 0.434 177.247 176.870 -0.096 0.000 1.080 395 L CA 1.594 56.323 54.840 -0.184 0.000 0.759 395 L CB 0.021 41.937 42.059 -0.238 0.000 0.914 395 L HN 0.175 nan 8.230 nan 0.000 0.439 396 L N 0.705 121.835 121.223 -0.155 0.000 2.551 396 L HA 0.291 4.623 4.340 -0.013 0.000 0.248 396 L C -1.700 174.995 176.870 -0.291 0.000 1.509 396 L CA -0.958 53.706 54.840 -0.293 0.000 0.842 396 L CB 0.868 42.614 42.059 -0.522 0.000 1.087 396 L HN -0.041 nan 8.230 nan 0.000 0.512 397 P HA -0.184 nan 4.420 nan 0.000 0.218 397 P C 1.438 178.547 177.300 -0.320 0.000 1.148 397 P CA 1.077 64.061 63.100 -0.194 0.000 0.822 397 P CB 0.391 32.053 31.700 -0.064 0.000 0.784 398 R N -0.122 120.004 120.500 -0.624 0.000 2.090 398 R HA -0.114 4.218 4.340 -0.013 0.000 0.228 398 R C 2.275 178.258 176.300 -0.527 0.000 1.110 398 R CA 1.590 57.320 56.100 -0.616 0.000 0.973 398 R CB -1.642 28.122 30.300 -0.894 0.000 0.869 398 R HN 0.240 nan 8.270 nan 0.000 0.440 399 H N -0.289 118.468 119.070 -0.521 0.000 2.387 399 H HA -0.046 4.502 4.556 -0.013 0.000 0.299 399 H C 1.807 176.958 175.328 -0.295 0.000 1.090 399 H CA 1.618 57.444 56.048 -0.371 0.000 1.332 399 H CB -0.118 29.392 29.762 -0.422 0.000 1.386 399 H HN 0.073 nan 8.280 nan 0.000 0.516 400 L N 0.562 121.655 121.223 -0.218 0.000 2.046 400 L HA -0.262 4.070 4.340 -0.013 0.000 0.208 400 L C 1.921 178.577 176.870 -0.357 0.000 1.077 400 L CA 1.655 56.293 54.840 -0.338 0.000 0.747 400 L CB -0.320 41.557 42.059 -0.303 0.000 0.896 400 L HN 0.453 nan 8.230 nan 0.000 0.432 401 Q N -0.308 119.395 119.800 -0.160 0.000 2.096 401 Q HA -0.248 4.084 4.340 -0.013 0.000 0.204 401 Q C 2.169 178.179 176.000 0.017 0.000 0.982 401 Q CA 1.765 57.566 55.803 -0.003 0.000 0.850 401 Q CB -0.135 28.606 28.738 0.005 0.000 0.901 401 Q HN 0.555 nan 8.270 nan 0.000 0.422 402 I N 0.380 120.941 120.570 -0.015 0.000 2.226 402 I HA -0.278 3.884 4.170 -0.013 0.000 0.245 402 I C 2.153 178.346 176.117 0.127 0.000 1.100 402 I CA 1.037 62.412 61.300 0.126 0.000 1.374 402 I CB -0.155 37.876 38.000 0.051 0.000 1.057 402 I HN 0.192 nan 8.210 nan 0.000 0.413 403 I N -0.495 120.069 120.570 -0.010 0.000 2.226 403 I HA -0.324 3.838 4.170 -0.013 0.000 0.245 403 I C 2.382 178.520 176.117 0.035 0.000 1.100 403 I CA 1.432 62.716 61.300 -0.028 0.000 1.374 403 I CB -0.397 37.518 38.000 -0.141 0.000 1.057 403 I HN 0.163 nan 8.210 nan 0.000 0.413 404 Y N 0.801 121.106 120.300 0.008 0.000 2.181 404 Y HA -0.268 4.274 4.550 -0.013 0.000 0.288 404 Y C 2.599 178.466 175.900 -0.055 0.000 1.146 404 Y CA 1.507 59.598 58.100 -0.015 0.000 1.164 404 Y CB -0.759 37.686 38.460 -0.026 0.000 0.982 404 Y HN 0.205 nan 8.280 nan 0.000 0.515 405 E N 0.321 120.562 120.200 0.067 0.000 2.072 405 E HA -0.124 4.218 4.350 -0.013 0.000 0.191 405 E C 2.081 178.600 176.600 -0.136 0.000 0.985 405 E CA 1.133 57.433 56.400 -0.165 0.000 0.801 405 E CB -0.503 28.930 29.700 -0.446 0.000 0.750 405 E HN 0.459 nan 8.360 nan 0.000 0.452 406 I N 0.723 121.316 120.570 0.037 0.000 2.163 406 I HA -0.302 3.860 4.170 -0.013 0.000 0.243 406 I C 2.290 178.411 176.117 0.007 0.000 1.085 406 I CA 1.447 62.723 61.300 -0.041 0.000 1.347 406 I CB -0.443 37.537 38.000 -0.034 0.000 1.044 406 I HN 0.212 nan 8.210 nan 0.000 0.408 407 N N 0.762 119.513 118.700 0.085 0.000 2.069 407 N HA -0.279 4.453 4.740 -0.013 0.000 0.191 407 N C 1.884 177.477 175.510 0.139 0.000 1.031 407 N CA 1.650 54.797 53.050 0.162 0.000 0.852 407 N CB -0.197 38.404 38.487 0.189 0.000 1.018 407 N HN 0.342 nan 8.380 nan 0.000 0.423 408 Q N 0.047 119.876 119.800 0.049 0.000 2.061 408 Q HA -0.157 4.175 4.340 -0.013 0.000 0.204 408 Q C 2.037 178.024 176.000 -0.022 0.000 0.984 408 Q CA 1.438 57.235 55.803 -0.009 0.000 0.846 408 Q CB -0.039 28.654 28.738 -0.075 0.000 0.902 408 Q HN 0.362 nan 8.270 nan 0.000 0.421 409 R N -0.716 119.751 120.500 -0.056 0.000 2.092 409 R HA -0.114 4.218 4.340 -0.013 0.000 0.231 409 R C 2.148 178.477 176.300 0.048 0.000 1.119 409 R CA 1.390 57.455 56.100 -0.058 0.000 0.970 409 R CB -0.335 29.877 30.300 -0.147 0.000 0.864 409 R HN 0.285 nan 8.270 nan 0.000 0.440 410 F N 1.250 121.177 119.950 -0.038 0.000 2.113 410 F HA -0.097 4.422 4.527 -0.013 0.000 0.297 410 F C 1.773 177.595 175.800 0.038 0.000 1.103 410 F CA 1.365 59.389 58.000 0.040 0.000 1.248 410 F CB -0.178 38.877 39.000 0.092 0.000 0.999 410 F HN -0.111 nan 8.300 nan 0.000 0.475 411 L N -0.024 121.219 121.223 0.034 0.000 2.191 411 L HA -0.227 4.105 4.340 -0.013 0.000 0.212 411 L C 1.968 178.780 176.870 -0.097 0.000 1.103 411 L CA 1.440 56.239 54.840 -0.069 0.000 0.769 411 L CB -0.900 41.176 42.059 0.030 0.000 0.908 411 L HN 0.260 nan 8.230 nan 0.000 0.438 412 N N -0.126 118.533 118.700 -0.069 0.000 2.166 412 N HA -0.161 4.571 4.740 -0.013 0.000 0.186 412 N C 1.921 177.379 175.510 -0.086 0.000 1.019 412 N CA 0.831 53.841 53.050 -0.067 0.000 0.856 412 N CB 0.014 38.469 38.487 -0.054 0.000 0.993 412 N HN 0.292 nan 8.380 nan 0.000 0.426 413 R N 0.474 120.903 120.500 -0.118 0.000 2.092 413 R HA -0.032 4.300 4.340 -0.013 0.000 0.231 413 R C 2.172 178.373 176.300 -0.166 0.000 1.119 413 R CA 0.786 56.808 56.100 -0.129 0.000 0.970 413 R CB -0.294 29.933 30.300 -0.122 0.000 0.864 413 R HN 0.084 nan 8.270 nan 0.000 0.440 414 V N 1.043 120.809 119.914 -0.248 0.000 2.295 414 V HA -0.237 3.875 4.120 -0.013 0.000 0.246 414 V C 2.437 178.526 176.094 -0.008 0.000 1.049 414 V CA 2.006 64.221 62.300 -0.142 0.000 1.024 414 V CB -0.719 30.953 31.823 -0.252 0.000 0.648 414 V HN 0.398 nan 8.190 nan 0.000 0.447 415 A N -0.105 122.686 122.820 -0.049 0.000 1.972 415 A HA -0.082 4.230 4.320 -0.013 0.000 0.219 415 A C 2.356 179.920 177.584 -0.033 0.000 1.169 415 A CA 2.009 54.033 52.037 -0.021 0.000 0.635 415 A CB -0.620 18.359 19.000 -0.034 0.000 0.810 415 A HN 0.578 nan 8.150 nan 0.000 0.446 416 A N -0.598 122.183 122.820 -0.064 0.000 1.970 416 A HA 0.334 4.646 4.320 -0.013 0.000 0.216 416 A C 2.354 179.855 177.584 -0.138 0.000 1.170 416 A CA 1.601 53.589 52.037 -0.082 0.000 0.645 416 A CB -0.624 18.330 19.000 -0.076 0.000 0.816 416 A HN 0.925 nan 8.150 nan 0.000 0.447 417 A N -1.618 121.083 122.820 -0.198 0.000 1.975 417 A HA 0.389 4.701 4.320 -0.013 0.000 0.215 417 A C 0.423 177.585 177.584 -0.703 0.000 1.170 417 A CA 0.514 52.274 52.037 -0.462 0.000 0.656 417 A CB -0.140 18.529 19.000 -0.553 0.000 0.821 417 A HN 0.411 nan 8.150 nan 0.000 0.449 418 F N 0.120 120.023 119.950 -0.079 0.000 2.622 418 F HA 0.344 4.863 4.527 -0.013 0.000 0.338 418 F C -2.806 172.958 175.800 -0.061 0.000 1.334 418 F CA -2.752 55.207 58.000 -0.069 0.000 1.179 418 F CB 0.901 39.851 39.000 -0.082 0.000 1.471 418 F HN -0.060 nan 8.300 nan 0.000 0.576 419 P HA 0.253 nan 4.420 nan 0.000 0.267 419 P C 0.988 178.308 177.300 0.033 0.000 1.205 419 P CA 0.790 63.902 63.100 0.021 0.000 0.765 419 P CB 1.079 32.773 31.700 -0.011 0.000 0.828 420 G N 2.397 111.210 108.800 0.020 0.000 2.225 420 G HA2 -0.233 3.719 3.960 -0.013 0.000 0.254 420 G HA3 -0.233 3.719 3.960 -0.013 0.000 0.254 420 G C 0.284 175.193 174.900 0.014 0.000 0.988 420 G CA -0.025 45.083 45.100 0.013 0.000 0.625 420 G HN 0.605 nan 8.290 nan 0.000 0.527 421 D N 1.572 121.988 120.400 0.027 0.000 2.508 421 D HA 0.387 5.019 4.640 -0.013 0.000 0.224 421 D C 2.082 178.373 176.300 -0.016 0.000 1.171 421 D CA 0.424 54.426 54.000 0.003 0.000 1.006 421 D CB 0.504 41.304 40.800 0.000 0.000 1.073 421 D HN 0.587 nan 8.370 nan 0.000 0.513 422 V N 0.903 120.809 119.914 -0.013 0.000 2.548 422 V HA -0.122 3.990 4.120 -0.013 0.000 0.249 422 V C 1.806 177.889 176.094 -0.019 0.000 1.055 422 V CA 1.413 63.705 62.300 -0.014 0.000 1.065 422 V CB -0.480 31.339 31.823 -0.007 0.000 0.681 422 V HN 0.237 nan 8.190 nan 0.000 0.462 423 D N 0.336 120.721 120.400 -0.025 0.000 2.178 423 D HA -0.156 4.476 4.640 -0.013 0.000 0.202 423 D C 2.332 178.605 176.300 -0.044 0.000 0.974 423 D CA 1.198 55.184 54.000 -0.024 0.000 0.841 423 D CB -0.179 40.607 40.800 -0.023 0.000 0.953 423 D HN 0.420 nan 8.370 nan 0.000 0.478 424 R N -0.136 120.314 120.500 -0.082 0.000 2.081 424 R HA -0.099 4.233 4.340 -0.013 0.000 0.235 424 R C 2.251 178.486 176.300 -0.109 0.000 1.131 424 R CA 0.928 56.943 56.100 -0.141 0.000 0.960 424 R CB -0.265 29.893 30.300 -0.237 0.000 0.856 424 R HN 0.255 nan 8.270 nan 0.000 0.436 425 L N 0.571 121.753 121.223 -0.067 0.000 2.042 425 L HA -0.225 4.107 4.340 -0.013 0.000 0.210 425 L C 2.681 179.556 176.870 0.009 0.000 1.076 425 L CA 1.946 56.765 54.840 -0.035 0.000 0.749 425 L CB -0.461 41.586 42.059 -0.019 0.000 0.893 425 L HN 0.299 nan 8.230 nan 0.000 0.432 426 R N -0.078 120.432 120.500 0.017 0.000 2.115 426 R HA -0.078 4.254 4.340 -0.013 0.000 0.226 426 R C 2.162 178.513 176.300 0.084 0.000 1.100 426 R CA 0.872 57.003 56.100 0.052 0.000 0.980 426 R CB -0.519 29.805 30.300 0.041 0.000 0.875 426 R HN 0.177 nan 8.270 nan 0.000 0.445 427 R N 0.228 120.760 120.500 0.054 0.000 2.092 427 R HA 0.086 4.418 4.340 -0.013 0.000 0.231 427 R C 2.034 178.419 176.300 0.141 0.000 1.119 427 R CA 1.853 58.008 56.100 0.093 0.000 0.970 427 R CB -0.216 30.100 30.300 0.026 0.000 0.864 427 R HN 0.325 nan 8.270 nan 0.000 0.440 428 M N 0.128 119.735 119.600 0.013 0.000 2.541 428 M HA 0.043 4.515 4.480 -0.013 0.000 0.252 428 M C 0.839 177.288 176.300 0.249 0.000 1.125 428 M CA 0.007 55.258 55.300 -0.080 0.000 1.091 428 M CB 0.453 32.847 32.600 -0.344 0.000 1.420 428 M HN -0.079 nan 8.290 nan 0.000 0.486 429 S N 1.097 116.958 115.700 0.268 0.000 2.558 429 S HA 0.069 4.531 4.470 -0.013 0.000 0.288 429 S C 1.184 176.034 174.600 0.418 0.000 1.318 429 S CA -0.286 58.096 58.200 0.304 0.000 1.056 429 S CB 0.575 63.897 63.200 0.203 0.000 0.853 429 S HN 0.364 nan 8.310 nan 0.000 0.505 430 L N 4.154 125.576 121.223 0.332 0.000 2.217 430 L HA 0.067 4.399 4.340 -0.013 0.000 0.211 430 L C 0.417 177.394 176.870 0.177 0.000 1.107 430 L CA 0.429 55.421 54.840 0.254 0.000 0.783 430 L CB -0.482 41.673 42.059 0.160 0.000 0.919 430 L HN 0.411 nan 8.230 nan 0.000 0.442 431 V N 1.012 121.043 119.914 0.194 0.000 2.383 431 V HA 0.148 4.260 4.120 -0.013 0.000 0.275 431 V C 0.131 176.310 176.094 0.143 0.000 1.036 431 V CA -0.559 61.844 62.300 0.173 0.000 0.889 431 V CB 1.273 33.232 31.823 0.227 0.000 0.985 431 V HN 0.181 nan 8.190 nan 0.000 0.459 432 E N 3.455 123.719 120.200 0.108 0.000 2.174 432 E HA 0.396 4.738 4.350 -0.013 0.000 0.282 432 E C -0.667 175.985 176.600 0.085 0.000 0.992 432 E CA -0.524 55.929 56.400 0.089 0.000 0.803 432 E CB 1.939 31.671 29.700 0.054 0.000 1.090 432 E HN 0.625 nan 8.360 nan 0.000 0.396 433 E N 0.845 121.092 120.200 0.078 0.000 2.318 433 E HA 0.599 4.941 4.350 -0.013 0.000 0.265 433 E C 0.116 176.753 176.600 0.061 0.000 1.069 433 E CA 0.285 56.726 56.400 0.068 0.000 0.893 433 E CB 1.456 31.190 29.700 0.057 0.000 1.076 433 E HN 0.645 nan 8.360 nan 0.000 0.414 434 G N -0.290 108.545 108.800 0.059 0.000 2.350 434 G HA2 0.274 4.226 3.960 -0.013 0.000 0.276 434 G HA3 0.274 4.226 3.960 -0.013 0.000 0.276 434 G C 0.296 175.231 174.900 0.058 0.000 1.313 434 G CA -0.006 45.127 45.100 0.055 0.000 0.903 434 G HN 0.560 nan 8.290 nan 0.000 0.490 435 A N -0.943 121.911 122.820 0.056 0.000 1.859 435 A HA 0.305 4.617 4.320 -0.013 0.000 0.217 435 A C 1.607 179.236 177.584 0.076 0.000 1.198 435 A CA 3.470 55.542 52.037 0.058 0.000 0.629 435 A CB -1.205 17.828 19.000 0.055 0.000 0.830 435 A HN 2.241 nan 8.150 nan 0.000 0.446 436 V N -2.863 117.107 119.914 0.093 0.000 2.459 436 V HA 0.508 4.620 4.120 -0.013 0.000 0.295 436 V C -0.465 175.700 176.094 0.118 0.000 1.029 436 V CA -1.420 60.957 62.300 0.129 0.000 0.874 436 V CB 1.405 33.331 31.823 0.172 0.000 0.985 436 V HN 0.294 nan 8.190 nan 0.000 0.438 437 K N 4.083 124.561 120.400 0.130 0.000 2.350 437 K HA 0.492 4.804 4.320 -0.013 0.000 0.279 437 K C -0.371 176.296 176.600 0.112 0.000 1.027 437 K CA -0.150 56.209 56.287 0.120 0.000 0.969 437 K CB 0.902 33.485 32.500 0.138 0.000 0.954 437 K HN 0.730 nan 8.250 nan 0.000 0.474 438 R N 1.742 122.298 120.500 0.092 0.000 2.795 438 R HA 0.457 4.789 4.340 -0.013 0.000 0.275 438 R C -0.581 175.757 176.300 0.062 0.000 0.981 438 R CA -1.002 55.140 56.100 0.071 0.000 0.917 438 R CB 1.367 31.691 30.300 0.040 0.000 1.202 438 R HN 0.380 nan 8.270 nan 0.000 0.469 439 I N 2.026 122.630 120.570 0.055 0.000 2.315 439 I HA 0.139 4.301 4.170 -0.013 0.000 0.291 439 I C -0.002 176.097 176.117 -0.029 0.000 1.006 439 I CA -0.631 60.688 61.300 0.032 0.000 1.265 439 I CB 0.970 38.987 38.000 0.029 0.000 1.387 439 I HN 0.502 nan 8.210 nan 0.000 0.475 440 N N 7.093 125.744 118.700 -0.080 0.000 2.402 440 N HA 0.089 4.821 4.740 -0.013 0.000 0.252 440 N C 0.783 176.186 175.510 -0.178 0.000 1.118 440 N CA -0.324 52.595 53.050 -0.218 0.000 0.945 440 N CB 0.984 39.189 38.487 -0.470 0.000 1.147 440 N HN 0.381 nan 8.380 nan 0.000 0.495 441 M N 2.430 121.928 119.600 -0.170 0.000 2.296 441 M HA -0.036 4.436 4.480 -0.013 0.000 0.265 441 M C 1.907 178.060 176.300 -0.245 0.000 1.064 441 M CA 0.610 55.828 55.300 -0.138 0.000 1.109 441 M CB -1.488 31.075 32.600 -0.062 0.000 1.396 441 M HN 0.602 nan 8.290 nan 0.000 0.430 442 A N -0.454 122.216 122.820 -0.250 0.000 1.898 442 A HA -0.163 4.149 4.320 -0.013 0.000 0.216 442 A C 1.981 179.341 177.584 -0.374 0.000 1.181 442 A CA 1.397 53.247 52.037 -0.312 0.000 0.620 442 A CB -1.086 17.932 19.000 0.030 0.000 0.819 442 A HN 0.590 nan 8.150 nan 0.000 0.442 443 H N -1.031 117.824 119.070 -0.360 0.000 2.389 443 H HA -0.019 4.529 4.556 -0.013 0.000 0.299 443 H C 2.116 177.231 175.328 -0.355 0.000 1.081 443 H CA 0.909 56.718 56.048 -0.398 0.000 1.345 443 H CB -0.060 29.680 29.762 -0.037 0.000 1.393 443 H HN 0.366 nan 8.280 nan 0.000 0.520 444 L N 0.393 121.536 121.223 -0.132 0.000 2.012 444 L HA -0.237 4.095 4.340 -0.013 0.000 0.210 444 L C 2.255 178.991 176.870 -0.224 0.000 1.073 444 L CA 1.310 56.069 54.840 -0.136 0.000 0.748 444 L CB -0.364 41.639 42.059 -0.093 0.000 0.891 444 L HN 0.449 nan 8.230 nan 0.000 0.431 445 C N -0.102 118.962 119.300 -0.394 0.000 2.446 445 C HA -0.150 4.302 4.460 -0.013 0.000 0.277 445 C C 2.645 177.377 174.990 -0.429 0.000 1.275 445 C CA 0.515 59.221 59.018 -0.519 0.000 1.727 445 C CB -0.703 26.357 27.740 -1.134 0.000 2.010 445 C HN 0.506 nan 8.230 nan 0.000 0.486 446 I N 1.493 121.760 120.570 -0.505 0.000 2.179 446 I HA -0.188 3.974 4.170 -0.013 0.000 0.242 446 I C 2.767 178.731 176.117 -0.254 0.000 1.088 446 I CA 1.659 62.705 61.300 -0.425 0.000 1.357 446 I CB -0.611 36.993 38.000 -0.660 0.000 1.051 446 I HN 0.252 nan 8.210 nan 0.000 0.409 447 A N 0.608 123.248 122.820 -0.300 0.000 1.933 447 A HA -0.111 4.201 4.320 -0.013 0.000 0.218 447 A C 2.212 179.838 177.584 0.069 0.000 1.175 447 A CA 1.943 53.840 52.037 -0.234 0.000 0.628 447 A CB -1.147 17.507 19.000 -0.576 0.000 0.814 447 A HN 0.494 nan 8.150 nan 0.000 0.444 448 G N -1.344 107.432 108.800 -0.041 0.000 3.337 448 G HA2 0.421 4.373 3.960 -0.013 0.000 0.246 448 G HA3 0.421 4.373 3.960 -0.013 0.000 0.246 448 G C 0.096 174.834 174.900 -0.272 0.000 1.131 448 G CA 0.480 45.443 45.100 -0.228 0.000 0.773 448 G HN 0.342 nan 8.290 nan 0.000 0.544 449 S N -0.288 115.305 115.700 -0.178 0.000 2.536 449 S HA 0.326 4.788 4.470 -0.013 0.000 0.298 449 S C 0.759 175.303 174.600 -0.093 0.000 1.083 449 S CA -0.705 57.415 58.200 -0.133 0.000 0.995 449 S CB 1.296 64.419 63.200 -0.128 0.000 1.058 449 S HN 0.496 nan 8.310 nan 0.000 0.488 450 H N -0.034 118.994 119.070 -0.069 0.000 2.551 450 H HA 0.470 5.018 4.556 -0.013 0.000 0.266 450 H C 0.142 175.455 175.328 -0.025 0.000 0.964 450 H CA 0.305 56.341 56.048 -0.021 0.000 1.180 450 H CB 0.148 29.912 29.762 0.003 0.000 1.408 450 H HN 0.504 nan 8.280 nan 0.000 0.563 451 A N 1.077 123.577 122.820 -0.534 0.000 2.455 451 A HA 0.561 4.873 4.320 -0.013 0.000 0.300 451 A C -1.381 175.996 177.584 -0.344 0.000 1.040 451 A CA -0.581 51.205 52.037 -0.418 0.000 0.697 451 A CB 2.272 20.989 19.000 -0.471 0.000 1.265 451 A HN 0.098 nan 8.150 nan 0.000 0.407 452 V N 4.231 123.912 119.914 -0.388 0.000 2.577 452 V HA 0.520 4.632 4.120 -0.013 0.000 0.303 452 V C -0.793 175.114 176.094 -0.311 0.000 1.042 452 V CA -0.787 61.277 62.300 -0.394 0.000 0.872 452 V CB 1.793 33.221 31.823 -0.658 0.000 0.998 452 V HN 1.008 nan 8.190 nan 0.000 0.423 453 N N 3.252 121.787 118.700 -0.273 0.000 2.240 453 N HA 0.600 5.332 4.740 -0.013 0.000 0.302 453 N C -0.222 175.189 175.510 -0.166 0.000 1.106 453 N CA -0.352 52.581 53.050 -0.195 0.000 0.778 453 N CB 2.851 41.199 38.487 -0.232 0.000 1.431 453 N HN 0.629 nan 8.380 nan 0.000 0.479 454 G N -0.663 108.079 108.800 -0.096 0.000 2.535 454 G HA2 0.417 4.369 3.960 -0.013 0.000 0.303 454 G HA3 0.417 4.369 3.960 -0.013 0.000 0.303 454 G C 0.786 175.747 174.900 0.102 0.000 1.237 454 G CA -0.425 44.678 45.100 0.005 0.000 0.986 454 G HN 0.643 nan 8.290 nan 0.000 0.494 455 V N -3.900 116.181 119.914 0.278 0.000 3.528 455 V HA 0.698 4.810 4.120 -0.013 0.000 0.294 455 V C 0.586 176.758 176.094 0.130 0.000 1.404 455 V CA 0.463 62.845 62.300 0.136 0.000 1.065 455 V CB -0.674 31.184 31.823 0.059 0.000 0.904 455 V HN 1.285 nan 8.190 nan 0.000 0.435 456 A N -0.011 122.897 122.820 0.147 0.000 2.612 456 A HA 0.662 4.974 4.320 -0.013 0.000 0.293 456 A C 0.710 178.344 177.584 0.084 0.000 1.075 456 A CA -0.127 51.975 52.037 0.110 0.000 0.680 456 A CB 1.303 20.358 19.000 0.091 0.000 1.279 456 A HN 0.024 nan 8.150 nan 0.000 0.411 457 R N 0.666 121.196 120.500 0.050 0.000 2.096 457 R HA -0.147 4.185 4.340 -0.013 0.000 0.240 457 R C 1.636 177.936 176.300 -0.000 0.000 1.139 457 R CA 2.251 58.358 56.100 0.012 0.000 0.952 457 R CB -0.236 30.066 30.300 0.002 0.000 0.854 457 R HN 0.814 nan 8.270 nan 0.000 0.436 458 I N 0.242 120.821 120.570 0.015 0.000 2.286 458 I HA -0.295 3.867 4.170 -0.013 0.000 0.248 458 I C 2.336 178.464 176.117 0.018 0.000 1.115 458 I CA 1.795 63.096 61.300 0.002 0.000 1.392 458 I CB -0.226 37.774 38.000 0.000 0.000 1.065 458 I HN 0.350 nan 8.210 nan 0.000 0.418 459 H N 0.368 119.410 119.070 -0.047 0.000 2.321 459 H HA -0.131 4.417 4.556 -0.013 0.000 0.300 459 H C 2.293 177.587 175.328 -0.058 0.000 1.087 459 H CA 2.235 58.249 56.048 -0.056 0.000 1.319 459 H CB -0.291 29.443 29.762 -0.046 0.000 1.379 459 H HN 0.232 nan 8.280 nan 0.000 0.501 460 S N 0.382 115.970 115.700 -0.187 0.000 2.399 460 S HA -0.129 4.333 4.470 -0.013 0.000 0.231 460 S C 1.895 176.377 174.600 -0.197 0.000 1.022 460 S CA 1.235 59.304 58.200 -0.218 0.000 0.983 460 S CB -0.076 63.066 63.200 -0.097 0.000 0.803 460 S HN 0.488 nan 8.310 nan 0.000 0.480 461 E N 1.142 121.248 120.200 -0.156 0.000 2.072 461 E HA 0.008 4.350 4.350 -0.013 0.000 0.191 461 E C 2.025 178.513 176.600 -0.186 0.000 0.985 461 E CA 0.633 56.932 56.400 -0.168 0.000 0.801 461 E CB -0.368 29.264 29.700 -0.114 0.000 0.750 461 E HN 0.511 nan 8.360 nan 0.000 0.452 462 I N 1.012 121.485 120.570 -0.162 0.000 2.286 462 I HA -0.270 3.892 4.170 -0.013 0.000 0.248 462 I C 2.394 178.384 176.117 -0.211 0.000 1.115 462 I CA 0.765 61.973 61.300 -0.153 0.000 1.392 462 I CB -0.231 37.712 38.000 -0.096 0.000 1.065 462 I HN 0.053 nan 8.210 nan 0.000 0.418 463 L N 0.400 121.456 121.223 -0.277 0.000 2.046 463 L HA -0.234 4.098 4.340 -0.013 0.000 0.208 463 L C 2.466 179.220 176.870 -0.194 0.000 1.077 463 L CA 1.594 56.278 54.840 -0.260 0.000 0.747 463 L CB -0.587 41.383 42.059 -0.149 0.000 0.896 463 L HN 0.207 nan 8.230 nan 0.000 0.432 464 K N -0.062 120.157 120.400 -0.303 0.000 2.217 464 K HA -0.102 4.210 4.320 -0.013 0.000 0.202 464 K C 1.962 178.366 176.600 -0.327 0.000 1.051 464 K CA 0.881 56.857 56.287 -0.518 0.000 0.952 464 K CB 0.082 32.030 32.500 -0.920 0.000 0.736 464 K HN 0.299 nan 8.250 nan 0.000 0.453 465 K N -0.056 120.210 120.400 -0.224 0.000 2.284 465 K HA -0.011 4.301 4.320 -0.013 0.000 0.198 465 K C 1.851 178.397 176.600 -0.089 0.000 1.048 465 K CA 1.215 57.421 56.287 -0.134 0.000 0.987 465 K CB 0.542 32.972 32.500 -0.118 0.000 0.800 465 K HN 0.229 nan 8.250 nan 0.000 0.486 466 T N -1.167 113.324 114.554 -0.105 0.000 3.066 466 T HA 0.072 4.414 4.350 -0.013 0.000 0.176 466 T C 1.889 176.548 174.700 -0.068 0.000 0.826 466 T CA -0.059 61.992 62.100 -0.082 0.000 1.280 466 T CB -0.727 68.085 68.868 -0.093 0.000 2.214 466 T HN 0.101 nan 8.240 nan 0.000 0.399 467 I N -0.999 119.473 120.570 -0.165 0.000 2.454 467 I HA 0.224 4.386 4.170 -0.013 0.000 0.254 467 I C 1.472 177.607 176.117 0.030 0.000 1.156 467 I CA 1.341 62.535 61.300 -0.176 0.000 1.433 467 I CB -0.609 37.152 38.000 -0.397 0.000 1.082 467 I HN 0.263 nan 8.210 nan 0.000 0.432 468 F N 0.882 120.901 119.950 0.115 0.000 2.668 468 F HA 0.320 4.839 4.527 -0.013 0.000 0.301 468 F C 2.061 177.946 175.800 0.142 0.000 1.106 468 F CA -0.643 57.488 58.000 0.219 0.000 1.289 468 F CB 0.154 39.284 39.000 0.217 0.000 1.006 468 F HN -0.075 nan 8.300 nan 0.000 0.535 469 K N 1.145 121.661 120.400 0.193 0.000 2.044 469 K HA -0.224 4.088 4.320 -0.013 0.000 0.210 469 K C 1.355 178.010 176.600 0.092 0.000 1.049 469 K CA 2.251 58.591 56.287 0.088 0.000 0.927 469 K CB -0.038 32.479 32.500 0.029 0.000 0.713 469 K HN 0.141 nan 8.250 nan 0.000 0.443 470 D N -0.118 120.314 120.400 0.054 0.000 2.123 470 D HA -0.167 4.465 4.640 -0.013 0.000 0.196 470 D C 1.829 178.044 176.300 -0.142 0.000 0.992 470 D CA 1.287 55.191 54.000 -0.159 0.000 0.833 470 D CB -0.312 40.297 40.800 -0.318 0.000 0.954 470 D HN 0.256 nan 8.370 nan 0.000 0.455 471 F N -0.181 119.834 119.950 0.108 0.000 2.186 471 F HA -0.142 4.377 4.527 -0.013 0.000 0.299 471 F C 2.356 178.285 175.800 0.216 0.000 1.090 471 F CA 0.516 58.657 58.000 0.236 0.000 1.307 471 F CB -0.669 38.542 39.000 0.351 0.000 1.019 471 F HN -0.034 nan 8.300 nan 0.000 0.489 472 Y N 1.359 121.615 120.300 -0.073 0.000 2.224 472 Y HA -0.202 4.340 4.550 -0.013 0.000 0.289 472 Y C 2.122 177.995 175.900 -0.045 0.000 1.146 472 Y CA 1.633 59.507 58.100 -0.376 0.000 1.182 472 Y CB -0.592 37.469 38.460 -0.665 0.000 0.983 472 Y HN 0.135 nan 8.280 nan 0.000 0.524 473 E N -0.381 119.765 120.200 -0.090 0.000 2.106 473 E HA -0.195 4.147 4.350 -0.013 0.000 0.192 473 E C 2.013 178.671 176.600 0.097 0.000 0.984 473 E CA 1.199 57.561 56.400 -0.062 0.000 0.806 473 E CB -0.265 29.434 29.700 -0.002 0.000 0.750 473 E HN 0.440 nan 8.360 nan 0.000 0.458 474 L N 0.960 122.279 121.223 0.160 0.000 2.044 474 L HA -0.066 4.266 4.340 -0.013 0.000 0.205 474 L C 0.247 177.199 176.870 0.137 0.000 1.075 474 L CA 1.665 56.635 54.840 0.216 0.000 0.747 474 L CB 0.362 42.540 42.059 0.198 0.000 0.903 474 L HN -0.095 nan 8.230 nan 0.000 0.435 475 E N -0.193 120.084 120.200 0.128 0.000 3.132 475 E HA 0.183 4.525 4.350 -0.013 0.000 0.241 475 E C -2.003 174.540 176.600 -0.095 0.000 1.196 475 E CA -1.268 55.130 56.400 -0.004 0.000 0.869 475 E CB 0.861 30.566 29.700 0.008 0.000 1.387 475 E HN 0.202 nan 8.360 nan 0.000 0.393 476 P HA -0.229 nan 4.420 nan 0.000 0.218 476 P C 1.201 178.587 177.300 0.144 0.000 1.149 476 P CA 1.316 64.316 63.100 -0.166 0.000 0.817 476 P CB -0.027 31.468 31.700 -0.343 0.000 0.785 477 H N 0.131 119.303 119.070 0.169 0.000 2.489 477 H HA 0.031 4.579 4.556 -0.013 0.000 0.293 477 H C 1.739 177.160 175.328 0.155 0.000 1.066 477 H CA 0.921 57.059 56.048 0.150 0.000 1.305 477 H CB -0.637 29.184 29.762 0.098 0.000 1.386 477 H HN 0.147 nan 8.280 nan 0.000 0.551 478 K N 0.309 120.603 120.400 -0.178 0.000 2.217 478 K HA 0.012 4.324 4.320 -0.013 0.000 0.202 478 K C -0.216 176.253 176.600 -0.220 0.000 1.051 478 K CA 0.200 56.370 56.287 -0.195 0.000 0.952 478 K CB 0.100 32.378 32.500 -0.370 0.000 0.736 478 K HN 0.057 nan 8.250 nan 0.000 0.453 479 F N 1.457 121.430 119.950 0.039 0.000 2.411 479 F HA 0.240 4.759 4.527 -0.014 0.000 0.350 479 F C 0.270 176.074 175.800 0.006 0.000 1.114 479 F CA -0.314 57.714 58.000 0.047 0.000 1.135 479 F CB 1.283 40.369 39.000 0.144 0.000 1.120 479 F HN -0.066 nan 8.300 nan 0.000 0.495 480 Q N 1.803 121.636 119.800 0.054 0.000 2.528 480 Q HA 0.339 4.671 4.340 -0.013 0.000 0.289 480 Q C -1.183 174.780 176.000 -0.061 0.000 1.091 480 Q CA -1.242 54.545 55.803 -0.026 0.000 0.797 480 Q CB 3.142 31.809 28.738 -0.119 0.000 1.466 480 Q HN 0.614 nan 8.270 nan 0.000 0.436 481 N N 0.837 119.485 118.700 -0.086 0.000 2.321 481 N HA 0.262 4.994 4.740 -0.013 0.000 0.299 481 N C -1.405 174.012 175.510 -0.155 0.000 1.048 481 N CA -0.381 52.613 53.050 -0.093 0.000 0.836 481 N CB 0.947 39.401 38.487 -0.055 0.000 1.269 481 N HN 0.276 nan 8.380 nan 0.000 0.486 482 K N 2.798 123.107 120.400 -0.152 0.000 2.675 482 K HA 0.186 4.498 4.320 -0.013 0.000 0.224 482 K C -0.912 175.698 176.600 0.016 0.000 1.003 482 K CA -0.493 55.684 56.287 -0.183 0.000 1.034 482 K CB 1.254 33.432 32.500 -0.536 0.000 1.218 482 K HN 0.537 nan 8.250 nan 0.000 0.507 483 T N 2.150 116.729 114.554 0.042 0.000 2.902 483 T HA 0.045 4.387 4.350 -0.013 0.000 0.301 483 T C 0.785 175.611 174.700 0.210 0.000 1.012 483 T CA 0.362 62.537 62.100 0.124 0.000 1.151 483 T CB 0.242 69.181 68.868 0.119 0.000 0.946 483 T HN 0.365 nan 8.240 nan 0.000 0.542 484 N N 0.643 119.489 118.700 0.242 0.000 2.267 484 N HA 0.393 5.125 4.740 -0.013 0.000 0.226 484 N C 0.493 176.190 175.510 0.311 0.000 1.314 484 N CA -0.117 53.107 53.050 0.291 0.000 0.887 484 N CB 0.382 38.983 38.487 0.188 0.000 1.120 484 N HN 0.760 nan 8.380 nan 0.000 0.440 485 G N -0.644 108.346 108.800 0.317 0.000 2.687 485 G HA2 0.612 4.564 3.960 -0.013 0.000 0.291 485 G HA3 0.612 4.564 3.960 -0.013 0.000 0.291 485 G C -1.393 173.637 174.900 0.217 0.000 1.420 485 G CA -0.744 44.527 45.100 0.285 0.000 0.796 485 G HN 0.602 nan 8.290 nan 0.000 0.485 486 I N -2.394 118.289 120.570 0.190 0.000 2.828 486 I HA 0.751 4.913 4.170 -0.013 0.000 0.302 486 I C -0.212 176.056 176.117 0.252 0.000 1.101 486 I CA -0.945 60.460 61.300 0.175 0.000 1.031 486 I CB 2.460 40.458 38.000 -0.004 0.000 1.231 486 I HN 0.490 nan 8.210 nan 0.000 0.427 487 T N 4.129 118.884 114.554 0.334 0.000 2.794 487 T HA 0.364 4.706 4.350 -0.013 0.000 0.296 487 T C -1.483 173.330 174.700 0.187 0.000 0.949 487 T CA -1.587 60.637 62.100 0.207 0.000 1.101 487 T CB 0.750 69.687 68.868 0.115 0.000 0.905 487 T HN 0.632 nan 8.240 nan 0.000 0.516 488 P HA 0.077 nan 4.420 nan 0.000 0.237 488 P C 1.053 178.316 177.300 -0.062 0.000 1.178 488 P CA 0.249 63.382 63.100 0.055 0.000 0.766 488 P CB 0.344 32.063 31.700 0.032 0.000 0.876 489 R N 0.448 120.866 120.500 -0.136 0.000 2.060 489 R HA 0.024 4.356 4.340 -0.013 0.000 0.225 489 R C 2.660 178.837 176.300 -0.204 0.000 1.155 489 R CA 1.500 57.476 56.100 -0.208 0.000 0.930 489 R CB -1.210 28.968 30.300 -0.203 0.000 0.829 489 R HN 0.026 nan 8.270 nan 0.000 0.433 490 R N -0.802 119.520 120.500 -0.296 0.000 2.081 490 R HA -0.133 4.199 4.340 -0.013 0.000 0.235 490 R C 1.085 177.043 176.300 -0.570 0.000 1.131 490 R CA 1.749 57.517 56.100 -0.554 0.000 0.960 490 R CB -0.166 29.600 30.300 -0.890 0.000 0.856 490 R HN 0.309 nan 8.270 nan 0.000 0.436 491 W N -0.527 120.725 121.300 -0.080 0.000 3.353 491 W HA 0.165 4.816 4.660 -0.014 0.000 0.304 491 W C 0.989 177.473 176.519 -0.059 0.000 1.273 491 W CA -0.727 56.570 57.345 -0.081 0.000 1.773 491 W CB 0.462 29.877 29.460 -0.074 0.000 1.095 491 W HN 0.212 nan 8.180 nan 0.000 0.676 492 L N -2.101 119.176 121.223 0.091 0.000 2.692 492 L HA 0.193 4.525 4.340 -0.013 0.000 0.175 492 L C 1.790 178.672 176.870 0.020 0.000 1.112 492 L CA 0.818 55.703 54.840 0.075 0.000 0.908 492 L CB -0.829 41.300 42.059 0.117 0.000 1.672 492 L HN -0.244 nan 8.230 nan 0.000 0.500 493 V N 1.023 120.923 119.914 -0.022 0.000 2.295 493 V HA -0.262 3.850 4.120 -0.013 0.000 0.246 493 V C 2.440 178.503 176.094 -0.051 0.000 1.049 493 V CA 2.410 64.689 62.300 -0.036 0.000 1.024 493 V CB -0.680 31.091 31.823 -0.087 0.000 0.648 493 V HN 0.504 nan 8.190 nan 0.000 0.447 494 L N 0.520 121.683 121.223 -0.100 0.000 2.023 494 L HA -0.184 4.148 4.340 -0.013 0.000 0.205 494 L C 2.512 179.316 176.870 -0.109 0.000 1.073 494 L CA 2.417 57.182 54.840 -0.124 0.000 0.745 494 L CB -0.273 41.661 42.059 -0.208 0.000 0.900 494 L HN 0.648 nan 8.230 nan 0.000 0.435 495 C N -1.755 117.476 119.300 -0.115 0.000 2.533 495 C HA 0.192 4.644 4.460 -0.013 0.000 0.272 495 C C 1.228 176.200 174.990 -0.031 0.000 1.371 495 C CA -0.229 58.739 59.018 -0.083 0.000 1.758 495 C CB -1.002 26.691 27.740 -0.079 0.000 1.972 495 C HN 0.604 nan 8.230 nan 0.000 0.522 496 N N 1.131 119.823 118.700 -0.012 0.000 2.703 496 N HA 0.288 5.020 4.740 -0.013 0.000 0.283 496 N C -1.797 173.722 175.510 0.016 0.000 1.851 496 N CA -1.591 51.464 53.050 0.008 0.000 0.826 496 N CB 0.716 39.216 38.487 0.022 0.000 1.239 496 N HN 0.246 nan 8.380 nan 0.000 0.495 497 P HA -0.029 nan 4.420 nan 0.000 0.218 497 P C 1.402 178.717 177.300 0.024 0.000 1.149 497 P CA 0.873 63.983 63.100 0.016 0.000 0.817 497 P CB 0.225 31.927 31.700 0.003 0.000 0.785 498 G N 0.596 109.405 108.800 0.016 0.000 2.418 498 G HA2 -0.245 3.707 3.960 -0.013 0.000 0.217 498 G HA3 -0.245 3.707 3.960 -0.013 0.000 0.217 498 G C 1.517 176.425 174.900 0.013 0.000 1.158 498 G CA 0.640 45.747 45.100 0.011 0.000 0.771 498 G HN 0.241 nan 8.290 nan 0.000 0.545 499 L N 1.291 122.524 121.223 0.016 0.000 2.027 499 L HA 0.256 4.588 4.340 -0.013 0.000 0.206 499 L C 3.083 179.984 176.870 0.052 0.000 1.074 499 L CA 2.025 56.874 54.840 0.016 0.000 0.745 499 L CB -0.806 41.261 42.059 0.015 0.000 0.898 499 L HN 0.228 nan 8.230 nan 0.000 0.433 500 A N -0.748 122.124 122.820 0.087 0.000 1.940 500 A HA -0.279 4.033 4.320 -0.013 0.000 0.219 500 A C 2.254 179.938 177.584 0.166 0.000 1.176 500 A CA 1.939 54.080 52.037 0.174 0.000 0.631 500 A CB -0.688 18.405 19.000 0.155 0.000 0.814 500 A HN 0.563 nan 8.150 nan 0.000 0.446 501 E N 0.539 120.797 120.200 0.095 0.000 2.046 501 E HA -0.139 4.203 4.350 -0.013 0.000 0.190 501 E C 1.834 178.475 176.600 0.068 0.000 0.982 501 E CA 1.473 57.919 56.400 0.077 0.000 0.800 501 E CB -0.497 29.230 29.700 0.045 0.000 0.756 501 E HN 0.748 nan 8.360 nan 0.000 0.449 502 I N -1.693 118.913 120.570 0.059 0.000 2.394 502 I HA -0.133 4.029 4.170 -0.013 0.000 0.251 502 I C 2.127 178.316 176.117 0.120 0.000 1.136 502 I CA 1.087 62.436 61.300 0.082 0.000 1.425 502 I CB -0.356 37.675 38.000 0.052 0.000 1.079 502 I HN 0.015 nan 8.210 nan 0.000 0.425 503 I N 2.022 122.636 120.570 0.073 0.000 2.202 503 I HA -0.206 3.956 4.170 -0.013 0.000 0.242 503 I C 3.023 179.083 176.117 -0.095 0.000 1.091 503 I CA 1.403 62.659 61.300 -0.073 0.000 1.368 503 I CB -0.520 37.309 38.000 -0.286 0.000 1.058 503 I HN 0.301 nan 8.210 nan 0.000 0.410 504 A N 0.375 123.241 122.820 0.075 0.000 1.972 504 A HA -0.237 4.075 4.320 -0.013 0.000 0.219 504 A C 2.170 179.785 177.584 0.052 0.000 1.169 504 A CA 1.691 53.825 52.037 0.161 0.000 0.635 504 A CB -0.619 18.507 19.000 0.211 0.000 0.810 504 A HN 0.456 nan 8.150 nan 0.000 0.446 505 E N -0.786 119.425 120.200 0.019 0.000 2.160 505 E HA -0.201 4.141 4.350 -0.013 0.000 0.195 505 E C 2.230 178.795 176.600 -0.058 0.000 0.991 505 E CA 1.101 57.498 56.400 -0.005 0.000 0.810 505 E CB -0.043 29.662 29.700 0.007 0.000 0.742 505 E HN 0.413 nan 8.360 nan 0.000 0.466 506 R N 0.107 120.512 120.500 -0.158 0.000 2.075 506 R HA 0.070 4.402 4.340 -0.013 0.000 0.220 506 R C 2.304 178.509 176.300 -0.158 0.000 1.118 506 R CA 0.900 56.821 56.100 -0.297 0.000 0.986 506 R CB -0.343 29.443 30.300 -0.858 0.000 0.884 506 R HN 0.337 nan 8.270 nan 0.000 0.439 507 I N -3.222 117.272 120.570 -0.126 0.000 4.081 507 I HA 0.454 4.616 4.170 -0.013 0.000 0.333 507 I C 0.441 176.592 176.117 0.058 0.000 1.413 507 I CA 0.098 61.380 61.300 -0.031 0.000 1.110 507 I CB 0.784 38.744 38.000 -0.066 0.000 1.082 507 I HN 0.175 nan 8.210 nan 0.000 0.402 508 G N 2.016 110.862 108.800 0.076 0.000 2.698 508 G HA2 -0.224 3.728 3.960 -0.013 0.000 0.225 508 G HA3 -0.224 3.728 3.960 -0.013 0.000 0.225 508 G C -0.021 175.004 174.900 0.208 0.000 1.345 508 G CA 0.221 45.388 45.100 0.112 0.000 0.871 508 G HN 0.428 nan 8.290 nan 0.000 0.540 509 E N -0.177 120.098 120.200 0.124 0.000 2.476 509 E HA 0.104 4.446 4.350 -0.013 0.000 0.199 509 E C 1.980 178.533 176.600 -0.079 0.000 1.021 509 E CA 0.271 56.689 56.400 0.030 0.000 0.907 509 E CB 0.267 29.977 29.700 0.016 0.000 0.974 509 E HN 0.623 nan 8.360 nan 0.000 0.489 510 E N 0.320 120.541 120.200 0.035 0.000 2.265 510 E HA -0.200 4.142 4.350 -0.013 0.000 0.196 510 E C 1.613 178.210 176.600 -0.004 0.000 0.996 510 E CA 0.922 57.335 56.400 0.022 0.000 0.832 510 E CB -0.122 29.613 29.700 0.058 0.000 0.756 510 E HN 0.485 nan 8.360 nan 0.000 0.491 511 Y N -0.722 119.582 120.300 0.008 0.000 2.421 511 Y HA -0.063 4.480 4.550 -0.012 0.000 0.292 511 Y C 1.780 177.660 175.900 -0.034 0.000 1.136 511 Y CA 0.538 58.634 58.100 -0.006 0.000 1.255 511 Y CB -0.530 37.929 38.460 -0.003 0.000 0.991 511 Y HN -0.071 nan 8.280 nan 0.000 0.552 512 I N 0.946 121.058 120.570 -0.764 0.000 2.361 512 I HA -0.232 3.930 4.170 -0.013 0.000 0.251 512 I C 1.770 177.641 176.117 -0.410 0.000 1.133 512 I CA 1.809 62.704 61.300 -0.675 0.000 1.413 512 I CB -0.364 37.143 38.000 -0.821 0.000 1.073 512 I HN 0.478 nan 8.210 nan 0.000 0.424 513 S N -2.111 113.454 115.700 -0.224 0.000 2.650 513 S HA 0.169 4.631 4.470 -0.013 0.000 0.240 513 S C 0.154 174.741 174.600 -0.022 0.000 1.007 513 S CA -0.477 57.668 58.200 -0.091 0.000 0.984 513 S CB 0.290 63.506 63.200 0.026 0.000 0.910 513 S HN 0.275 nan 8.310 nan 0.000 0.509 514 D N 0.700 121.095 120.400 -0.008 0.000 2.823 514 D HA 0.263 4.895 4.640 -0.013 0.000 0.255 514 D C 0.331 176.674 176.300 0.071 0.000 1.257 514 D CA -0.390 53.628 54.000 0.031 0.000 0.803 514 D CB 0.497 41.320 40.800 0.037 0.000 1.384 514 D HN 0.094 nan 8.370 nan 0.000 0.541 515 L N 1.296 122.561 121.223 0.070 0.000 2.265 515 L HA 0.002 4.334 4.340 -0.013 0.000 0.215 515 L C 1.424 178.348 176.870 0.090 0.000 1.117 515 L CA 1.486 56.396 54.840 0.117 0.000 0.782 515 L CB -0.071 42.050 42.059 0.104 0.000 0.914 515 L HN 0.273 nan 8.230 nan 0.000 0.441 516 D N -0.675 119.755 120.400 0.050 0.000 2.265 516 D HA -0.219 4.413 4.640 -0.013 0.000 0.208 516 D C 1.933 178.255 176.300 0.038 0.000 0.977 516 D CA 0.834 54.850 54.000 0.026 0.000 0.871 516 D CB 0.045 40.847 40.800 0.005 0.000 0.925 516 D HN 0.548 nan 8.370 nan 0.000 0.485 517 Q N -0.069 119.770 119.800 0.065 0.000 2.364 517 Q HA -0.056 4.276 4.340 -0.013 0.000 0.209 517 Q C 2.288 178.308 176.000 0.033 0.000 0.977 517 Q CA 0.270 56.112 55.803 0.065 0.000 0.885 517 Q CB 0.013 28.818 28.738 0.113 0.000 0.941 517 Q HN 0.401 nan 8.270 nan 0.000 0.464 518 L N 0.179 121.416 121.223 0.023 0.000 2.261 518 L HA -0.187 4.145 4.340 -0.013 0.000 0.216 518 L C 2.261 179.126 176.870 -0.009 0.000 1.114 518 L CA 0.875 55.694 54.840 -0.035 0.000 0.777 518 L CB -0.369 41.680 42.059 -0.016 0.000 0.910 518 L HN 0.206 nan 8.230 nan 0.000 0.440 519 R N 0.324 120.831 120.500 0.011 0.000 2.159 519 R HA -0.181 4.151 4.340 -0.013 0.000 0.237 519 R C 2.073 178.382 176.300 0.013 0.000 1.131 519 R CA 1.034 57.142 56.100 0.014 0.000 0.982 519 R CB -0.207 30.099 30.300 0.010 0.000 0.868 519 R HN 0.405 nan 8.270 nan 0.000 0.453 520 K N 0.564 120.971 120.400 0.012 0.000 2.280 520 K HA -0.089 4.223 4.320 -0.013 0.000 0.202 520 K C 1.804 178.449 176.600 0.075 0.000 1.047 520 K CA 0.834 57.139 56.287 0.030 0.000 0.942 520 K CB -0.040 32.481 32.500 0.035 0.000 0.739 520 K HN 0.214 nan 8.250 nan 0.000 0.457 521 L N 0.546 121.792 121.223 0.038 0.000 2.465 521 L HA -0.125 4.207 4.340 -0.013 0.000 0.224 521 L C 1.784 178.718 176.870 0.108 0.000 1.145 521 L CA 0.000 54.873 54.840 0.055 0.000 0.834 521 L CB -0.251 41.788 42.059 -0.033 0.000 0.944 521 L HN 0.112 nan 8.230 nan 0.000 0.451 522 L N 0.117 121.376 121.223 0.059 0.000 2.131 522 L HA -0.176 4.156 4.340 -0.013 0.000 0.210 522 L C 2.669 179.534 176.870 -0.008 0.000 1.092 522 L CA 1.868 56.729 54.840 0.035 0.000 0.759 522 L CB -0.890 41.177 42.059 0.013 0.000 0.903 522 L HN 0.358 nan 8.230 nan 0.000 0.435 523 S N -2.787 112.868 115.700 -0.075 0.000 2.607 523 S HA -0.062 4.400 4.470 -0.013 0.000 0.224 523 S C 1.192 175.539 174.600 -0.422 0.000 0.969 523 S CA 0.197 58.253 58.200 -0.240 0.000 0.927 523 S CB -0.533 62.479 63.200 -0.313 0.000 0.772 523 S HN 0.457 nan 8.310 nan 0.000 0.533 524 Y N -0.420 119.814 120.300 -0.110 0.000 2.531 524 Y HA 0.427 4.975 4.550 -0.003 0.000 0.249 524 Y C 1.922 177.857 175.900 0.059 0.000 1.168 524 Y CA -0.562 57.469 58.100 -0.114 0.000 1.226 524 Y CB 0.205 38.387 38.460 -0.462 0.000 1.177 524 Y HN 0.251 nan 8.280 nan 0.000 0.527 525 V N 0.420 120.424 119.914 0.150 0.000 2.594 525 V HA -0.210 3.902 4.120 -0.013 0.000 0.253 525 V C 0.976 177.139 176.094 0.114 0.000 1.069 525 V CA 2.226 64.614 62.300 0.147 0.000 1.082 525 V CB -0.005 31.867 31.823 0.082 0.000 0.680 525 V HN 0.352 nan 8.190 nan 0.000 0.469 526 D N -0.775 119.672 120.400 0.077 0.000 2.395 526 D HA 0.107 4.739 4.640 -0.013 0.000 0.213 526 D C 0.399 176.744 176.300 0.075 0.000 1.110 526 D CA -0.007 54.028 54.000 0.057 0.000 0.835 526 D CB 0.108 40.919 40.800 0.019 0.000 0.965 526 D HN 0.437 nan 8.370 nan 0.000 0.505 527 D N 1.486 121.964 120.400 0.129 0.000 2.338 527 D HA -0.023 4.609 4.640 -0.013 0.000 0.255 527 D C 1.120 177.525 176.300 0.175 0.000 1.237 527 D CA 0.023 54.121 54.000 0.163 0.000 0.883 527 D CB 1.600 42.565 40.800 0.275 0.000 1.087 527 D HN -0.165 nan 8.370 nan 0.000 0.485 528 E N 3.161 123.429 120.200 0.113 0.000 2.110 528 E HA -0.142 4.200 4.350 -0.013 0.000 0.193 528 E C 1.767 178.421 176.600 0.091 0.000 0.988 528 E CA 1.353 57.804 56.400 0.084 0.000 0.804 528 E CB 0.026 29.758 29.700 0.054 0.000 0.745 528 E HN 0.591 nan 8.360 nan 0.000 0.458 529 A N -0.297 122.593 122.820 0.116 0.000 1.873 529 A HA -0.143 4.169 4.320 -0.013 0.000 0.215 529 A C 2.194 179.864 177.584 0.145 0.000 1.186 529 A CA 1.308 53.412 52.037 0.112 0.000 0.616 529 A CB -0.912 18.158 19.000 0.116 0.000 0.823 529 A HN 0.447 nan 8.150 nan 0.000 0.442 530 F N 0.375 120.347 119.950 0.037 0.000 2.113 530 F HA -0.126 4.394 4.527 -0.012 0.000 0.297 530 F C 2.041 177.850 175.800 0.014 0.000 1.103 530 F CA 1.561 59.569 58.000 0.012 0.000 1.248 530 F CB -0.119 38.901 39.000 0.034 0.000 0.999 530 F HN 0.159 nan 8.300 nan 0.000 0.475 531 I N 0.299 120.896 120.570 0.046 0.000 2.151 531 I HA -0.382 3.780 4.170 -0.013 0.000 0.243 531 I C 2.652 178.713 176.117 -0.093 0.000 1.080 531 I CA 1.773 63.047 61.300 -0.044 0.000 1.339 531 I CB -0.567 37.455 38.000 0.036 0.000 1.039 531 I HN 0.127 nan 8.210 nan 0.000 0.409 532 R N 0.753 121.223 120.500 -0.049 0.000 2.075 532 R HA -0.186 4.146 4.340 -0.013 0.000 0.232 532 R C 1.841 178.088 176.300 -0.088 0.000 1.126 532 R CA 1.870 57.939 56.100 -0.051 0.000 0.963 532 R CB -0.153 30.137 30.300 -0.017 0.000 0.858 532 R HN 0.307 nan 8.270 nan 0.000 0.435 533 D N -0.066 120.260 120.400 -0.122 0.000 2.117 533 D HA -0.118 4.514 4.640 -0.013 0.000 0.198 533 D C 1.971 178.138 176.300 -0.221 0.000 0.982 533 D CA 1.153 55.065 54.000 -0.147 0.000 0.828 533 D CB -0.157 40.570 40.800 -0.122 0.000 0.967 533 D HN 0.068 nan 8.370 nan 0.000 0.464 534 V N 1.469 121.154 119.914 -0.381 0.000 2.287 534 V HA -0.249 3.863 4.120 -0.013 0.000 0.248 534 V C 2.521 178.520 176.094 -0.160 0.000 1.053 534 V CA 1.918 64.012 62.300 -0.343 0.000 1.027 534 V CB -0.821 30.718 31.823 -0.473 0.000 0.646 534 V HN 0.188 nan 8.190 nan 0.000 0.447 535 A N -0.538 122.209 122.820 -0.121 0.000 1.969 535 A HA -0.236 4.076 4.320 -0.013 0.000 0.218 535 A C 2.358 179.905 177.584 -0.062 0.000 1.169 535 A CA 2.021 54.021 52.037 -0.062 0.000 0.635 535 A CB -0.451 18.518 19.000 -0.052 0.000 0.810 535 A HN 0.526 nan 8.150 nan 0.000 0.445 536 K N -0.162 120.196 120.400 -0.071 0.000 2.057 536 K HA -0.080 4.232 4.320 -0.013 0.000 0.206 536 K C 1.823 178.396 176.600 -0.046 0.000 1.050 536 K CA 1.556 57.811 56.287 -0.054 0.000 0.935 536 K CB -0.258 32.212 32.500 -0.049 0.000 0.715 536 K HN 0.228 nan 8.250 nan 0.000 0.439 537 V N 1.805 121.686 119.914 -0.055 0.000 2.343 537 V HA -0.246 3.866 4.120 -0.013 0.000 0.247 537 V C 2.398 178.477 176.094 -0.025 0.000 1.051 537 V CA 2.001 64.278 62.300 -0.038 0.000 1.036 537 V CB -0.469 31.324 31.823 -0.049 0.000 0.654 537 V HN 0.351 nan 8.190 nan 0.000 0.451 538 K N 0.413 120.796 120.400 -0.029 0.000 2.026 538 K HA -0.228 4.084 4.320 -0.013 0.000 0.208 538 K C 2.172 178.747 176.600 -0.042 0.000 1.048 538 K CA 1.789 58.066 56.287 -0.017 0.000 0.929 538 K CB -0.519 31.986 32.500 0.009 0.000 0.713 538 K HN 0.374 nan 8.250 nan 0.000 0.439 539 Q N 0.991 120.759 119.800 -0.053 0.000 2.084 539 Q HA -0.123 4.209 4.340 -0.013 0.000 0.202 539 Q C 1.706 177.686 176.000 -0.033 0.000 0.978 539 Q CA 2.016 57.780 55.803 -0.066 0.000 0.844 539 Q CB -0.095 28.608 28.738 -0.058 0.000 0.898 539 Q HN 0.504 nan 8.270 nan 0.000 0.426 540 E N -0.491 119.701 120.200 -0.013 0.000 2.077 540 E HA -0.176 4.166 4.350 -0.013 0.000 0.193 540 E C 1.750 178.373 176.600 0.037 0.000 0.989 540 E CA 1.057 57.463 56.400 0.011 0.000 0.800 540 E CB -0.105 29.599 29.700 0.007 0.000 0.746 540 E HN 0.410 nan 8.360 nan 0.000 0.452 541 N N 0.969 119.688 118.700 0.032 0.000 2.166 541 N HA -0.132 4.600 4.740 -0.013 0.000 0.186 541 N C 1.518 177.103 175.510 0.126 0.000 1.019 541 N CA 1.058 54.146 53.050 0.065 0.000 0.856 541 N CB -0.088 38.421 38.487 0.037 0.000 0.993 541 N HN 0.146 nan 8.380 nan 0.000 0.426 542 K N 0.530 120.966 120.400 0.061 0.000 2.097 542 K HA 0.040 4.352 4.320 -0.013 0.000 0.205 542 K C 2.107 178.833 176.600 0.211 0.000 1.050 542 K CA 0.585 56.921 56.287 0.080 0.000 0.938 542 K CB -0.124 32.159 32.500 -0.363 0.000 0.718 542 K HN 0.098 nan 8.250 nan 0.000 0.442 543 L N 1.248 122.541 121.223 0.115 0.000 2.017 543 L HA -0.196 4.136 4.340 -0.013 0.000 0.208 543 L C 2.631 179.600 176.870 0.165 0.000 1.073 543 L CA 1.320 56.236 54.840 0.127 0.000 0.745 543 L CB -0.336 41.765 42.059 0.071 0.000 0.894 543 L HN 0.164 nan 8.230 nan 0.000 0.432 544 K N -0.209 120.291 120.400 0.166 0.000 2.026 544 K HA -0.246 4.066 4.320 -0.013 0.000 0.208 544 K C 2.204 178.958 176.600 0.256 0.000 1.048 544 K CA 1.733 58.127 56.287 0.178 0.000 0.929 544 K CB -0.193 32.396 32.500 0.149 0.000 0.713 544 K HN 0.082 nan 8.250 nan 0.000 0.439 545 F N 1.149 121.201 119.950 0.169 0.000 2.186 545 F HA -0.059 4.460 4.527 -0.013 0.000 0.299 545 F C 2.005 177.957 175.800 0.254 0.000 1.090 545 F CA 1.203 59.330 58.000 0.211 0.000 1.307 545 F CB -0.379 38.745 39.000 0.208 0.000 1.019 545 F HN 0.091 nan 8.300 nan 0.000 0.489 546 A N 0.147 123.136 122.820 0.282 0.000 1.940 546 A HA -0.084 4.228 4.320 -0.013 0.000 0.219 546 A C 2.374 179.998 177.584 0.066 0.000 1.176 546 A CA 1.758 53.894 52.037 0.164 0.000 0.631 546 A CB -1.426 17.731 19.000 0.261 0.000 0.814 546 A HN 0.447 nan 8.150 nan 0.000 0.446 547 A N -1.841 121.038 122.820 0.097 0.000 1.929 547 A HA -0.009 4.303 4.320 -0.013 0.000 0.216 547 A C 2.081 179.691 177.584 0.043 0.000 1.176 547 A CA 1.356 53.437 52.037 0.073 0.000 0.628 547 A CB -0.713 18.343 19.000 0.093 0.000 0.816 547 A HN 0.706 nan 8.150 nan 0.000 0.444 548 Y N 0.510 120.760 120.300 -0.084 0.000 2.181 548 Y HA -0.163 4.380 4.550 -0.013 0.000 0.288 548 Y C 1.908 177.721 175.900 -0.144 0.000 1.146 548 Y CA 1.812 59.843 58.100 -0.116 0.000 1.164 548 Y CB -0.188 38.186 38.460 -0.143 0.000 0.982 548 Y HN 0.217 nan 8.280 nan 0.000 0.515 549 L N -0.024 121.070 121.223 -0.216 0.000 2.083 549 L HA -0.208 4.124 4.340 -0.013 0.000 0.209 549 L C 2.343 179.117 176.870 -0.160 0.000 1.083 549 L CA 1.710 56.422 54.840 -0.213 0.000 0.752 549 L CB -0.454 41.453 42.059 -0.255 0.000 0.899 549 L HN 0.313 nan 8.230 nan 0.000 0.433 550 E N -0.345 119.775 120.200 -0.133 0.000 2.072 550 E HA -0.175 4.167 4.350 -0.013 0.000 0.190 550 E C 2.351 178.877 176.600 -0.123 0.000 0.982 550 E CA 0.784 57.117 56.400 -0.112 0.000 0.803 550 E CB 0.050 29.756 29.700 0.010 0.000 0.755 550 E HN 0.404 nan 8.360 nan 0.000 0.453 551 R N 0.592 121.003 120.500 -0.148 0.000 2.066 551 R HA -0.111 4.221 4.340 -0.013 0.000 0.232 551 R C 1.934 178.075 176.300 -0.265 0.000 1.131 551 R CA 1.202 57.204 56.100 -0.164 0.000 0.955 551 R CB 0.019 30.240 30.300 -0.133 0.000 0.851 551 R HN -0.013 nan 8.270 nan 0.000 0.432 552 E N -1.568 118.362 120.200 -0.451 0.000 2.340 552 E HA 0.003 4.345 4.350 -0.013 0.000 0.194 552 E C 0.225 176.337 176.600 -0.813 0.000 0.996 552 E CA 0.723 56.718 56.400 -0.676 0.000 0.869 552 E CB 0.500 29.601 29.700 -1.000 0.000 0.835 552 E HN 0.336 nan 8.360 nan 0.000 0.493 553 Y N -0.549 119.597 120.300 -0.257 0.000 2.610 553 Y HA 0.255 4.797 4.550 -0.013 0.000 0.254 553 Y C -0.027 175.771 175.900 -0.171 0.000 1.110 553 Y CA -0.543 57.450 58.100 -0.177 0.000 1.238 553 Y CB 0.888 39.249 38.460 -0.164 0.000 1.322 553 Y HN -0.279 nan 8.280 nan 0.000 0.547 554 K N 0.424 120.764 120.400 -0.100 0.000 3.071 554 K HA -0.136 4.176 4.320 -0.013 0.000 0.265 554 K C -0.467 175.916 176.600 -0.362 0.000 1.060 554 K CA 0.871 57.053 56.287 -0.175 0.000 0.767 554 K CB -2.365 30.084 32.500 -0.085 0.000 1.241 554 K HN 0.270 nan 8.250 nan 0.000 0.486 555 V N -2.169 117.529 119.914 -0.359 0.000 2.513 555 V HA 0.602 4.714 4.120 -0.013 0.000 0.299 555 V C 0.125 175.952 176.094 -0.444 0.000 1.035 555 V CA -0.939 61.117 62.300 -0.406 0.000 0.889 555 V CB 1.715 33.431 31.823 -0.177 0.000 0.988 555 V HN 0.289 nan 8.190 nan 0.000 0.440 556 H N 4.934 123.990 119.070 -0.023 0.000 2.481 556 H HA 0.815 5.363 4.556 -0.013 0.000 0.333 556 H C -0.075 175.242 175.328 -0.017 0.000 1.066 556 H CA -0.396 55.643 56.048 -0.014 0.000 1.209 556 H CB 1.736 31.495 29.762 -0.006 0.000 1.445 556 H HN 0.952 nan 8.280 nan 0.000 0.488 557 I N -0.621 120.014 120.570 0.110 0.000 2.934 557 I HA 0.474 4.636 4.170 -0.013 0.000 0.306 557 I C -0.546 175.650 176.117 0.132 0.000 1.110 557 I CA -1.371 59.977 61.300 0.080 0.000 1.019 557 I CB 2.234 40.243 38.000 0.016 0.000 1.227 557 I HN 0.353 nan 8.210 nan 0.000 0.434 558 N N 4.462 123.243 118.700 0.135 0.000 2.401 558 N HA 0.378 5.110 4.740 -0.013 0.000 0.255 558 N C -1.998 173.658 175.510 0.243 0.000 1.110 558 N CA -2.323 50.816 53.050 0.147 0.000 0.949 558 N CB 0.961 39.508 38.487 0.099 0.000 1.110 558 N HN 0.383 nan 8.380 nan 0.000 0.490 559 P HA 0.044 nan 4.420 nan 0.000 0.234 559 P C -0.114 177.178 177.300 -0.013 0.000 1.167 559 P CA 0.924 64.115 63.100 0.151 0.000 0.763 559 P CB 0.252 32.013 31.700 0.101 0.000 0.835 560 N N -1.251 117.474 118.700 0.042 0.000 2.353 560 N HA -0.007 4.725 4.740 -0.013 0.000 0.185 560 N C 0.348 175.892 175.510 0.055 0.000 1.098 560 N CA -0.012 53.049 53.050 0.019 0.000 0.872 560 N CB -0.034 38.474 38.487 0.034 0.000 0.970 560 N HN 0.129 nan 8.380 nan 0.000 0.467 561 S N 0.126 115.877 115.700 0.085 0.000 2.614 561 S HA 0.173 4.635 4.470 -0.013 0.000 0.265 561 S C 0.104 174.685 174.600 -0.033 0.000 1.303 561 S CA -0.908 57.329 58.200 0.062 0.000 1.000 561 S CB 0.969 64.233 63.200 0.108 0.000 0.935 561 S HN 0.200 nan 8.310 nan 0.000 0.551 562 L N 2.205 123.244 121.223 -0.308 0.000 2.418 562 L HA 0.336 4.668 4.340 -0.013 0.000 0.274 562 L C -0.842 176.001 176.870 -0.044 0.000 1.135 562 L CA -0.478 53.988 54.840 -0.624 0.000 0.870 562 L CB -0.266 41.143 42.059 -1.083 0.000 1.154 562 L HN 0.699 nan 8.230 nan 0.000 0.462 563 F N 4.310 124.120 119.950 -0.232 0.000 2.439 563 F HA 0.089 4.609 4.527 -0.012 0.000 0.356 563 F C 0.453 176.180 175.800 -0.122 0.000 1.161 563 F CA -0.783 57.149 58.000 -0.113 0.000 1.151 563 F CB 0.505 39.486 39.000 -0.032 0.000 1.222 563 F HN 0.524 nan 8.300 nan 0.000 0.558 564 D N 4.820 125.215 120.400 -0.008 0.000 2.412 564 D HA 0.316 4.948 4.640 -0.013 0.000 0.224 564 D C -1.009 175.227 176.300 -0.107 0.000 1.093 564 D CA -0.181 53.772 54.000 -0.079 0.000 0.850 564 D CB 1.338 42.078 40.800 -0.100 0.000 1.046 564 D HN 0.104 nan 8.370 nan 0.000 0.507 565 V N 4.499 124.329 119.914 -0.141 0.000 2.487 565 V HA 0.379 4.491 4.120 -0.013 0.000 0.298 565 V C -0.188 175.752 176.094 -0.256 0.000 1.028 565 V CA -0.829 61.373 62.300 -0.164 0.000 0.860 565 V CB 1.713 33.506 31.823 -0.049 0.000 0.991 565 V HN 0.515 nan 8.190 nan 0.000 0.427 566 Q N 3.839 123.509 119.800 -0.216 0.000 2.394 566 Q HA 0.639 4.971 4.340 -0.013 0.000 0.261 566 Q C -1.355 174.485 176.000 -0.266 0.000 1.023 566 Q CA -0.462 55.203 55.803 -0.229 0.000 0.720 566 Q CB 1.891 30.523 28.738 -0.177 0.000 1.241 566 Q HN 0.797 nan 8.270 nan 0.000 0.483 567 V N 1.623 121.368 119.914 -0.281 0.000 2.444 567 V HA 0.856 4.968 4.120 -0.013 0.000 0.294 567 V C -0.950 174.882 176.094 -0.436 0.000 1.022 567 V CA -0.566 61.385 62.300 -0.580 0.000 0.850 567 V CB 1.164 32.392 31.823 -0.992 0.000 0.992 567 V HN 0.812 nan 8.190 nan 0.000 0.426 568 K N 2.580 122.773 120.400 -0.345 0.000 2.931 568 K HA 0.459 4.771 4.320 -0.013 0.000 0.292 568 K C -1.206 175.420 176.600 0.043 0.000 1.077 568 K CA -1.211 55.057 56.287 -0.032 0.000 0.829 568 K CB 0.919 33.394 32.500 -0.042 0.000 1.488 568 K HN 0.436 nan 8.250 nan 0.000 0.358 569 R N 0.901 121.498 120.500 0.162 0.000 2.698 569 R HA 0.146 4.478 4.340 -0.013 0.000 0.266 569 R C 0.322 176.691 176.300 0.115 0.000 1.026 569 R CA -0.282 55.931 56.100 0.188 0.000 1.102 569 R CB -0.115 30.374 30.300 0.315 0.000 0.978 569 R HN 0.482 nan 8.270 nan 0.000 0.436 570 I N 4.838 125.392 120.570 -0.026 0.000 2.379 570 I HA 0.123 4.285 4.170 -0.013 0.000 0.290 570 I C 0.696 176.595 176.117 -0.363 0.000 1.063 570 I CA 0.496 61.712 61.300 -0.140 0.000 1.351 570 I CB -0.277 37.648 38.000 -0.126 0.000 1.410 570 I HN 0.270 nan 8.210 nan 0.000 0.505 571 H N 4.571 123.553 119.070 -0.147 0.000 2.894 571 H HA 0.234 4.782 4.556 -0.013 0.000 0.367 571 H C 0.460 175.676 175.328 -0.188 0.000 1.144 571 H CA -0.504 55.497 56.048 -0.078 0.000 1.180 571 H CB 2.135 31.777 29.762 -0.200 0.000 1.758 571 H HN 0.495 nan 8.280 nan 0.000 0.541 572 E N 1.195 121.448 120.200 0.088 0.000 2.085 572 E HA -0.241 4.101 4.350 -0.013 0.000 0.194 572 E C 1.535 177.906 176.600 -0.383 0.000 0.994 572 E CA 1.845 58.238 56.400 -0.012 0.000 0.801 572 E CB -0.047 29.833 29.700 0.300 0.000 0.743 572 E HN 0.587 nan 8.360 nan 0.000 0.453 573 Y N 0.732 120.534 120.300 -0.830 0.000 2.352 573 Y HA -0.049 4.493 4.550 -0.013 0.000 0.292 573 Y C 1.542 177.185 175.900 -0.428 0.000 1.136 573 Y CA 0.916 58.346 58.100 -1.117 0.000 1.227 573 Y CB -0.122 37.703 38.460 -1.058 0.000 0.991 573 Y HN -0.199 nan 8.280 nan 0.000 0.545 574 K N 0.631 120.560 120.400 -0.786 0.000 2.366 574 K HA 0.071 4.383 4.320 -0.013 0.000 0.198 574 K C 0.152 176.585 176.600 -0.279 0.000 1.044 574 K CA 0.551 56.508 56.287 -0.550 0.000 0.973 574 K CB -0.019 32.155 32.500 -0.542 0.000 0.767 574 K HN 0.251 nan 8.250 nan 0.000 0.475 575 R N 0.343 120.706 120.500 -0.228 0.000 3.423 575 R HA -0.223 4.109 4.340 -0.013 0.000 0.271 575 R C 0.285 176.510 176.300 -0.126 0.000 1.093 575 R CA 0.211 56.228 56.100 -0.137 0.000 0.730 575 R CB -1.979 28.257 30.300 -0.107 0.000 1.190 575 R HN 0.290 nan 8.270 nan 0.000 0.437 576 Q N 0.384 120.109 119.800 -0.125 0.000 2.248 576 Q HA -0.092 4.240 4.340 -0.013 0.000 0.208 576 Q C 2.044 177.998 176.000 -0.076 0.000 0.984 576 Q CA 1.591 57.334 55.803 -0.099 0.000 0.875 576 Q CB -0.023 28.659 28.738 -0.093 0.000 0.910 576 Q HN 0.586 nan 8.270 nan 0.000 0.433 577 L N -0.618 120.562 121.223 -0.071 0.000 2.083 577 L HA -0.186 4.146 4.340 -0.013 0.000 0.209 577 L C 2.031 178.902 176.870 0.002 0.000 1.083 577 L CA 0.581 55.393 54.840 -0.046 0.000 0.752 577 L CB -0.323 41.718 42.059 -0.029 0.000 0.899 577 L HN 0.312 nan 8.230 nan 0.000 0.433 578 L N -0.024 121.193 121.223 -0.010 0.000 2.056 578 L HA -0.233 4.099 4.340 -0.013 0.000 0.207 578 L C 2.029 178.954 176.870 0.091 0.000 1.078 578 L CA 1.888 56.734 54.840 0.009 0.000 0.749 578 L CB -0.783 41.176 42.059 -0.166 0.000 0.901 578 L HN 0.274 nan 8.230 nan 0.000 0.433 579 N N -1.592 117.129 118.700 0.034 0.000 2.069 579 N HA -0.253 4.479 4.740 -0.013 0.000 0.191 579 N C 1.954 177.547 175.510 0.139 0.000 1.031 579 N CA 1.759 54.906 53.050 0.161 0.000 0.852 579 N CB -0.163 38.350 38.487 0.044 0.000 1.018 579 N HN 0.498 nan 8.380 nan 0.000 0.423 580 C N 0.557 119.874 119.300 0.029 0.000 2.401 580 C HA -0.099 4.353 4.460 -0.013 0.000 0.276 580 C C 2.587 177.570 174.990 -0.011 0.000 1.233 580 C CA 0.435 59.424 59.018 -0.048 0.000 1.753 580 C CB -1.279 26.381 27.740 -0.134 0.000 2.029 580 C HN 0.504 nan 8.230 nan 0.000 0.478 581 L N -0.483 120.795 121.223 0.091 0.000 2.046 581 L HA -0.185 4.147 4.340 -0.013 0.000 0.208 581 L C 2.764 179.786 176.870 0.253 0.000 1.077 581 L CA 1.764 56.702 54.840 0.163 0.000 0.747 581 L CB -1.063 41.149 42.059 0.256 0.000 0.896 581 L HN 0.582 nan 8.230 nan 0.000 0.432 582 H N 0.006 119.188 119.070 0.188 0.000 2.353 582 H HA -0.138 4.410 4.556 -0.013 0.000 0.300 582 H C 2.235 177.557 175.328 -0.009 0.000 1.090 582 H CA 1.889 57.964 56.048 0.045 0.000 1.327 582 H CB 0.329 30.040 29.762 -0.085 0.000 1.383 582 H HN 0.090 nan 8.280 nan 0.000 0.508 583 V N 1.605 121.447 119.914 -0.120 0.000 2.287 583 V HA -0.289 3.823 4.120 -0.013 0.000 0.248 583 V C 2.842 178.876 176.094 -0.100 0.000 1.053 583 V CA 2.007 64.203 62.300 -0.175 0.000 1.027 583 V CB -0.535 31.226 31.823 -0.103 0.000 0.646 583 V HN 0.389 nan 8.190 nan 0.000 0.447 584 I N -0.188 120.358 120.570 -0.039 0.000 2.286 584 I HA -0.227 3.935 4.170 -0.013 0.000 0.248 584 I C 2.512 178.690 176.117 0.102 0.000 1.115 584 I CA 1.753 63.101 61.300 0.080 0.000 1.392 584 I CB -0.779 37.247 38.000 0.043 0.000 1.065 584 I HN 0.328 nan 8.210 nan 0.000 0.418 585 T N 1.301 115.873 114.554 0.029 0.000 2.684 585 T HA -0.170 4.172 4.350 -0.013 0.000 0.267 585 T C 1.884 176.539 174.700 -0.074 0.000 1.036 585 T CA 1.313 63.418 62.100 0.008 0.000 1.148 585 T CB -0.296 68.603 68.868 0.051 0.000 0.863 585 T HN 0.082 nan 8.240 nan 0.000 0.436 586 L N 0.032 121.142 121.223 -0.187 0.000 2.046 586 L HA -0.018 4.314 4.340 -0.013 0.000 0.208 586 L C 2.110 178.941 176.870 -0.065 0.000 1.077 586 L CA 1.559 56.284 54.840 -0.192 0.000 0.747 586 L CB -1.069 40.800 42.059 -0.318 0.000 0.896 586 L HN 0.364 nan 8.230 nan 0.000 0.432 587 Y N 0.247 120.485 120.300 -0.103 0.000 2.145 587 Y HA -0.297 4.245 4.550 -0.014 0.000 0.286 587 Y C 2.436 178.320 175.900 -0.027 0.000 1.145 587 Y CA 1.866 59.946 58.100 -0.034 0.000 1.148 587 Y CB -0.087 38.399 38.460 0.044 0.000 0.981 587 Y HN 0.280 nan 8.280 nan 0.000 0.507 588 N N 0.425 119.075 118.700 -0.084 0.000 2.166 588 N HA -0.138 4.594 4.740 -0.013 0.000 0.186 588 N C 1.830 177.226 175.510 -0.189 0.000 1.019 588 N CA 1.475 54.415 53.050 -0.183 0.000 0.856 588 N CB -0.366 38.079 38.487 -0.070 0.000 0.993 588 N HN 0.435 nan 8.380 nan 0.000 0.426 589 R N 0.420 120.838 120.500 -0.138 0.000 2.081 589 R HA 0.060 4.392 4.340 -0.013 0.000 0.235 589 R C 2.222 178.437 176.300 -0.142 0.000 1.131 589 R CA 0.792 56.819 56.100 -0.122 0.000 0.960 589 R CB -0.263 29.976 30.300 -0.101 0.000 0.856 589 R HN 0.242 nan 8.270 nan 0.000 0.436 590 I N 0.954 121.420 120.570 -0.173 0.000 2.179 590 I HA -0.278 3.884 4.170 -0.013 0.000 0.242 590 I C 2.114 178.113 176.117 -0.197 0.000 1.088 590 I CA 1.220 62.417 61.300 -0.171 0.000 1.357 590 I CB -0.206 37.698 38.000 -0.161 0.000 1.051 590 I HN 0.034 nan 8.210 nan 0.000 0.409 591 K N 0.865 121.083 120.400 -0.304 0.000 2.147 591 K HA -0.193 4.119 4.320 -0.013 0.000 0.205 591 K C 2.013 178.513 176.600 -0.168 0.000 1.049 591 K CA 1.156 57.278 56.287 -0.275 0.000 0.936 591 K CB -0.302 31.955 32.500 -0.405 0.000 0.722 591 K HN 0.341 nan 8.250 nan 0.000 0.446 592 K N 1.124 121.433 120.400 -0.151 0.000 2.062 592 K HA -0.075 4.237 4.320 -0.013 0.000 0.205 592 K C 0.002 176.554 176.600 -0.079 0.000 1.051 592 K CA 1.014 57.239 56.287 -0.104 0.000 0.941 592 K CB 0.350 32.793 32.500 -0.095 0.000 0.719 592 K HN 0.071 nan 8.250 nan 0.000 0.440 593 E N 0.302 120.454 120.200 -0.080 0.000 3.108 593 E HA 0.123 4.465 4.350 -0.013 0.000 0.228 593 E C -2.318 174.248 176.600 -0.057 0.000 1.176 593 E CA -1.634 54.732 56.400 -0.057 0.000 0.881 593 E CB 1.728 31.401 29.700 -0.045 0.000 1.354 593 E HN 0.136 nan 8.360 nan 0.000 0.400 594 P HA -0.114 nan 4.420 nan 0.000 0.218 594 P C 0.236 177.520 177.300 -0.027 0.000 1.149 594 P CA 1.126 64.195 63.100 -0.051 0.000 0.817 594 P CB 0.209 31.883 31.700 -0.043 0.000 0.785 595 N N -1.191 117.501 118.700 -0.013 0.000 2.268 595 N HA 0.015 4.747 4.740 -0.013 0.000 0.204 595 N C 0.573 176.100 175.510 0.028 0.000 1.124 595 N CA -0.105 52.950 53.050 0.009 0.000 0.838 595 N CB 0.105 38.597 38.487 0.008 0.000 0.994 595 N HN 0.005 nan 8.380 nan 0.000 0.489 596 K N 1.201 121.611 120.400 0.017 0.000 2.143 596 K HA 0.137 4.449 4.320 -0.013 0.000 0.272 596 K C -0.922 175.719 176.600 0.068 0.000 1.001 596 K CA -0.531 55.781 56.287 0.041 0.000 0.915 596 K CB 0.633 33.138 32.500 0.008 0.000 1.047 596 K HN -0.056 nan 8.250 nan 0.000 0.458 597 F N 4.657 124.594 119.950 -0.022 0.000 2.456 597 F HA 0.191 4.710 4.527 -0.013 0.000 0.358 597 F C -0.332 175.454 175.800 -0.024 0.000 1.095 597 F CA -0.201 57.786 58.000 -0.020 0.000 1.216 597 F CB 0.608 39.598 39.000 -0.015 0.000 1.125 597 F HN 0.182 nan 8.300 nan 0.000 0.549 598 V N 4.307 123.703 119.914 -0.863 0.000 2.823 598 V HA 0.560 4.672 4.120 -0.013 0.000 0.312 598 V C -0.673 174.811 176.094 -1.016 0.000 1.072 598 V CA -1.211 60.672 62.300 -0.694 0.000 0.937 598 V CB 1.070 32.681 31.823 -0.353 0.000 1.013 598 V HN 0.556 nan 8.190 nan 0.000 0.430 599 V N 4.787 124.376 119.914 -0.542 0.000 2.493 599 V HA 0.183 4.295 4.120 -0.013 0.000 0.292 599 V C -1.836 174.093 176.094 -0.274 0.000 1.016 599 V CA -0.416 61.700 62.300 -0.305 0.000 1.097 599 V CB 0.305 32.072 31.823 -0.094 0.000 0.947 599 V HN 0.903 nan 8.190 nan 0.000 0.479 600 P HA 0.327 nan 4.420 nan 0.000 0.271 600 P C -0.402 176.815 177.300 -0.138 0.000 1.216 600 P CA -0.063 62.950 63.100 -0.146 0.000 0.771 600 P CB 0.539 32.201 31.700 -0.063 0.000 0.864 601 R N 1.143 121.572 120.500 -0.119 0.000 2.686 601 R HA 0.530 4.862 4.340 -0.013 0.000 0.283 601 R C -0.742 175.519 176.300 -0.065 0.000 0.978 601 R CA -0.619 55.413 56.100 -0.114 0.000 0.897 601 R CB 1.942 32.159 30.300 -0.139 0.000 1.192 601 R HN 0.308 nan 8.270 nan 0.000 0.457 602 T N 2.233 116.763 114.554 -0.040 0.000 2.801 602 T HA 0.230 4.572 4.350 -0.013 0.000 0.306 602 T C -0.193 174.417 174.700 -0.148 0.000 1.020 602 T CA -0.476 61.555 62.100 -0.114 0.000 0.948 602 T CB 1.075 69.802 68.868 -0.236 0.000 0.962 602 T HN 0.138 nan 8.240 nan 0.000 0.465 603 V N 5.949 125.786 119.914 -0.128 0.000 2.385 603 V HA 0.396 4.508 4.120 -0.013 0.000 0.269 603 V C 0.108 176.122 176.094 -0.133 0.000 1.043 603 V CA -0.365 61.865 62.300 -0.116 0.000 0.906 603 V CB 0.568 32.339 31.823 -0.087 0.000 0.995 603 V HN 0.856 nan 8.190 nan 0.000 0.467 604 M N 6.697 126.208 119.600 -0.149 0.000 2.243 604 M HA 0.613 5.085 4.480 -0.013 0.000 0.324 604 M C -1.004 175.187 176.300 -0.181 0.000 1.031 604 M CA -0.181 55.021 55.300 -0.163 0.000 0.949 604 M CB 1.977 34.477 32.600 -0.167 0.000 1.615 604 M HN 0.424 nan 8.290 nan 0.000 0.430 605 I N 1.927 122.371 120.570 -0.211 0.000 2.498 605 I HA 0.819 4.981 4.170 -0.013 0.000 0.290 605 I C 0.074 175.855 176.117 -0.560 0.000 1.032 605 I CA -0.654 60.491 61.300 -0.259 0.000 1.073 605 I CB 2.283 40.221 38.000 -0.103 0.000 1.251 605 I HN 0.793 nan 8.210 nan 0.000 0.426 606 G N 2.975 111.412 108.800 -0.604 0.000 2.690 606 G HA2 0.838 4.790 3.960 -0.013 0.000 0.293 606 G HA3 0.838 4.790 3.960 -0.013 0.000 0.293 606 G C -0.992 173.605 174.900 -0.504 0.000 1.399 606 G CA -0.785 43.809 45.100 -0.843 0.000 0.890 606 G HN 0.994 nan 8.290 nan 0.000 0.485 607 G N -0.338 108.315 108.800 -0.245 0.000 2.352 607 G HA2 0.395 4.347 3.960 -0.013 0.000 0.305 607 G HA3 0.395 4.347 3.960 -0.013 0.000 0.305 607 G C -1.238 173.796 174.900 0.223 0.000 1.537 607 G CA -1.051 44.087 45.100 0.064 0.000 0.959 607 G HN 0.611 nan 8.290 nan 0.000 0.668 608 K N -0.070 120.456 120.400 0.210 0.000 2.118 608 K HA 0.730 5.042 4.320 -0.013 0.000 0.267 608 K C 0.312 177.034 176.600 0.204 0.000 0.991 608 K CA -0.127 56.298 56.287 0.230 0.000 0.916 608 K CB 1.954 34.490 32.500 0.060 0.000 1.041 608 K HN 0.862 nan 8.250 nan 0.000 0.455 609 A N 1.488 124.461 122.820 0.255 0.000 2.305 609 A HA 0.605 4.917 4.320 -0.013 0.000 0.322 609 A C -0.373 177.382 177.584 0.285 0.000 1.187 609 A CA -0.732 51.393 52.037 0.146 0.000 0.825 609 A CB 0.934 19.953 19.000 0.031 0.000 1.164 609 A HN 0.784 nan 8.150 nan 0.000 0.498 610 A N 3.796 126.768 122.820 0.253 0.000 2.546 610 A HA 0.424 4.736 4.320 -0.013 0.000 0.243 610 A C -1.360 176.341 177.584 0.197 0.000 1.063 610 A CA -0.622 51.587 52.037 0.287 0.000 0.757 610 A CB -0.394 18.777 19.000 0.286 0.000 0.991 610 A HN 0.608 nan 8.150 nan 0.000 0.503 611 P HA -0.146 nan 4.420 nan 0.000 0.217 611 P C 1.343 178.659 177.300 0.027 0.000 1.148 611 P CA 1.979 65.046 63.100 -0.054 0.000 0.828 611 P CB 0.206 31.812 31.700 -0.157 0.000 0.783 612 G N -3.060 105.791 108.800 0.085 0.000 3.042 612 G HA2 -0.085 3.867 3.960 -0.013 0.000 0.212 612 G HA3 -0.085 3.867 3.960 -0.013 0.000 0.212 612 G C -0.189 174.807 174.900 0.159 0.000 1.166 612 G CA -0.120 45.032 45.100 0.088 0.000 0.767 612 G HN 0.308 nan 8.290 nan 0.000 0.546 613 Y N 1.652 121.978 120.300 0.044 0.000 2.650 613 Y HA 0.195 4.737 4.550 -0.013 0.000 0.343 613 Y C 1.637 177.579 175.900 0.071 0.000 1.078 613 Y CA -1.066 57.064 58.100 0.050 0.000 1.356 613 Y CB 0.158 38.638 38.460 0.033 0.000 1.204 613 Y HN 0.292 nan 8.280 nan 0.000 0.508 614 H N 4.205 123.437 119.070 0.271 0.000 2.319 614 H HA -0.216 4.332 4.556 -0.013 0.000 0.299 614 H C 1.797 177.186 175.328 0.100 0.000 1.092 614 H CA 2.307 58.441 56.048 0.144 0.000 1.302 614 H CB 0.382 30.209 29.762 0.110 0.000 1.373 614 H HN 0.731 nan 8.280 nan 0.000 0.497 615 M N 1.020 120.652 119.600 0.054 0.000 2.117 615 M HA -0.074 4.398 4.480 -0.013 0.000 0.262 615 M C 2.529 178.629 176.300 -0.333 0.000 1.065 615 M CA 1.807 57.047 55.300 -0.101 0.000 1.114 615 M CB -0.677 32.002 32.600 0.132 0.000 1.361 615 M HN 0.341 nan 8.290 nan 0.000 0.408 616 A N -0.549 121.851 122.820 -0.700 0.000 1.933 616 A HA -0.176 4.136 4.320 -0.013 0.000 0.218 616 A C 2.194 179.588 177.584 -0.316 0.000 1.175 616 A CA 1.743 53.375 52.037 -0.675 0.000 0.628 616 A CB -0.624 17.734 19.000 -1.069 0.000 0.814 616 A HN 0.574 nan 8.150 nan 0.000 0.444 617 K N -1.115 119.156 120.400 -0.214 0.000 2.148 617 K HA -0.028 4.284 4.320 -0.013 0.000 0.204 617 K C 1.881 178.446 176.600 -0.057 0.000 1.050 617 K CA 1.155 57.400 56.287 -0.070 0.000 0.942 617 K CB -0.185 32.335 32.500 0.034 0.000 0.724 617 K HN 0.348 nan 8.250 nan 0.000 0.446 618 M N 0.437 119.953 119.600 -0.140 0.000 2.200 618 M HA -0.067 4.405 4.480 -0.013 0.000 0.265 618 M C 2.094 178.333 176.300 -0.100 0.000 1.066 618 M CA 1.358 56.614 55.300 -0.075 0.000 1.127 618 M CB -0.581 31.957 32.600 -0.103 0.000 1.379 618 M HN 0.114 nan 8.290 nan 0.000 0.420 619 I N -0.037 120.437 120.570 -0.160 0.000 2.226 619 I HA -0.300 3.862 4.170 -0.013 0.000 0.245 619 I C 2.283 178.273 176.117 -0.211 0.000 1.100 619 I CA 1.072 62.265 61.300 -0.179 0.000 1.374 619 I CB -0.302 37.594 38.000 -0.174 0.000 1.057 619 I HN 0.166 nan 8.210 nan 0.000 0.413 620 I N 0.608 121.035 120.570 -0.238 0.000 2.179 620 I HA -0.313 3.849 4.170 -0.013 0.000 0.242 620 I C 2.598 178.435 176.117 -0.466 0.000 1.088 620 I CA 1.287 62.347 61.300 -0.399 0.000 1.357 620 I CB -0.337 37.401 38.000 -0.437 0.000 1.051 620 I HN 0.154 nan 8.210 nan 0.000 0.409 621 K N 1.534 121.675 120.400 -0.432 0.000 2.057 621 K HA -0.159 4.153 4.320 -0.013 0.000 0.207 621 K C 2.043 178.483 176.600 -0.266 0.000 1.049 621 K CA 1.508 57.463 56.287 -0.553 0.000 0.931 621 K CB -0.565 31.335 32.500 -1.000 0.000 0.714 621 K HN 0.234 nan 8.250 nan 0.000 0.440 622 L N 0.345 121.436 121.223 -0.220 0.000 2.012 622 L HA -0.190 4.142 4.340 -0.013 0.000 0.210 622 L C 2.218 178.856 176.870 -0.386 0.000 1.073 622 L CA 1.774 56.324 54.840 -0.483 0.000 0.748 622 L CB -0.301 41.385 42.059 -0.622 0.000 0.891 622 L HN 0.272 nan 8.230 nan 0.000 0.431 623 I N -0.250 120.144 120.570 -0.293 0.000 2.163 623 I HA -0.345 3.817 4.170 -0.013 0.000 0.243 623 I C 2.630 178.645 176.117 -0.170 0.000 1.085 623 I CA 1.970 63.151 61.300 -0.198 0.000 1.347 623 I CB -0.613 37.354 38.000 -0.056 0.000 1.044 623 I HN 0.444 nan 8.210 nan 0.000 0.408 624 T N -0.854 113.571 114.554 -0.215 0.000 2.821 624 T HA -0.075 4.267 4.350 -0.013 0.000 0.267 624 T C 1.988 176.622 174.700 -0.109 0.000 1.046 624 T CA 0.944 62.946 62.100 -0.162 0.000 1.139 624 T CB -0.495 68.232 68.868 -0.235 0.000 0.871 624 T HN 0.344 nan 8.240 nan 0.000 0.454 625 A N 1.508 124.262 122.820 -0.110 0.000 1.930 625 A HA 0.141 4.453 4.320 -0.013 0.000 0.217 625 A C 2.379 179.979 177.584 0.027 0.000 1.175 625 A CA 1.278 53.319 52.037 0.007 0.000 0.627 625 A CB -0.816 18.290 19.000 0.176 0.000 0.815 625 A HN 0.589 nan 8.150 nan 0.000 0.443 626 I N -0.282 120.196 120.570 -0.153 0.000 2.179 626 I HA -0.203 3.959 4.170 -0.013 0.000 0.242 626 I C 2.746 178.819 176.117 -0.072 0.000 1.088 626 I CA 1.153 62.336 61.300 -0.194 0.000 1.357 626 I CB -0.703 37.055 38.000 -0.404 0.000 1.051 626 I HN 0.387 nan 8.210 nan 0.000 0.409 627 G N 0.522 109.275 108.800 -0.079 0.000 2.469 627 G HA2 -0.284 3.668 3.960 -0.013 0.000 0.219 627 G HA3 -0.284 3.668 3.960 -0.013 0.000 0.219 627 G C 1.275 176.179 174.900 0.008 0.000 1.150 627 G CA 1.160 46.230 45.100 -0.051 0.000 0.763 627 G HN 0.295 nan 8.290 nan 0.000 0.561 628 D N -0.042 120.394 120.400 0.059 0.000 2.149 628 D HA -0.081 4.551 4.640 -0.013 0.000 0.198 628 D C 2.714 179.125 176.300 0.184 0.000 0.990 628 D CA 0.743 54.837 54.000 0.156 0.000 0.839 628 D CB -0.199 40.639 40.800 0.064 0.000 0.948 628 D HN 0.258 nan 8.370 nan 0.000 0.460 629 V N 0.218 120.173 119.914 0.069 0.000 2.331 629 V HA -0.137 3.975 4.120 -0.013 0.000 0.242 629 V C 2.608 178.661 176.094 -0.069 0.000 1.034 629 V CA 0.771 63.057 62.300 -0.025 0.000 1.027 629 V CB -0.275 31.492 31.823 -0.093 0.000 0.667 629 V HN 0.024 nan 8.190 nan 0.000 0.457 630 V N 0.937 120.756 119.914 -0.159 0.000 2.307 630 V HA -0.197 3.915 4.120 -0.013 0.000 0.245 630 V C 2.161 178.219 176.094 -0.060 0.000 1.045 630 V CA 2.014 64.206 62.300 -0.180 0.000 1.024 630 V CB -0.858 30.852 31.823 -0.189 0.000 0.651 630 V HN 0.564 nan 8.190 nan 0.000 0.449 631 N N -0.275 118.348 118.700 -0.129 0.000 2.512 631 N HA -0.089 4.643 4.740 -0.013 0.000 0.183 631 N C 1.200 176.464 175.510 -0.409 0.000 1.073 631 N CA 0.921 53.806 53.050 -0.276 0.000 0.911 631 N CB -0.270 37.986 38.487 -0.386 0.000 0.964 631 N HN 0.684 nan 8.380 nan 0.000 0.447 632 H N -1.471 117.605 119.070 0.009 0.000 2.674 632 H HA 0.210 4.759 4.556 -0.013 0.000 0.274 632 H C -0.528 174.819 175.328 0.031 0.000 1.121 632 H CA -0.479 55.579 56.048 0.015 0.000 1.132 632 H CB 0.561 30.322 29.762 -0.001 0.000 1.606 632 H HN -0.022 nan 8.280 nan 0.000 0.558 633 D N 1.654 122.131 120.400 0.129 0.000 2.339 633 D HA 0.054 4.686 4.640 -0.013 0.000 0.241 633 D C -1.648 174.713 176.300 0.101 0.000 1.183 633 D CA -2.135 51.953 54.000 0.146 0.000 0.859 633 D CB 1.690 42.651 40.800 0.267 0.000 1.067 633 D HN 0.097 nan 8.370 nan 0.000 0.484 634 P HA -0.106 nan 4.420 nan 0.000 0.220 634 P C 1.530 178.854 177.300 0.039 0.000 1.148 634 P CA 0.365 63.496 63.100 0.051 0.000 0.803 634 P CB 0.443 32.168 31.700 0.042 0.000 0.782 635 V N -0.669 119.271 119.914 0.042 0.000 2.515 635 V HA -0.158 3.954 4.120 -0.013 0.000 0.250 635 V C 2.433 178.535 176.094 0.013 0.000 1.058 635 V CA 1.444 63.755 62.300 0.018 0.000 1.064 635 V CB -1.032 30.792 31.823 0.001 0.000 0.675 635 V HN -0.018 nan 8.190 nan 0.000 0.461 636 V N -0.063 119.877 119.914 0.043 0.000 2.358 636 V HA 0.077 4.189 4.120 -0.013 0.000 0.246 636 V C 1.825 177.929 176.094 0.018 0.000 1.047 636 V CA 1.630 63.955 62.300 0.042 0.000 1.035 636 V CB -1.249 30.646 31.823 0.121 0.000 0.658 636 V HN 0.742 nan 8.190 nan 0.000 0.452 637 G N 1.534 110.348 108.800 0.023 0.000 2.556 637 G HA2 -0.363 3.589 3.960 -0.013 0.000 0.283 637 G HA3 -0.363 3.589 3.960 -0.013 0.000 0.283 637 G C 0.245 175.147 174.900 0.005 0.000 1.177 637 G CA 0.440 45.548 45.100 0.012 0.000 0.978 637 G HN 0.683 nan 8.290 nan 0.000 0.554 638 D N 0.310 120.712 120.400 0.003 0.000 2.427 638 D HA 0.205 4.837 4.640 -0.013 0.000 0.224 638 D C 1.793 178.087 176.300 -0.011 0.000 1.157 638 D CA 0.057 54.058 54.000 0.002 0.000 0.828 638 D CB -0.064 40.745 40.800 0.016 0.000 0.974 638 D HN 0.601 nan 8.370 nan 0.000 0.498 639 R N -0.687 119.797 120.500 -0.027 0.000 2.200 639 R HA 0.216 4.548 4.340 -0.013 0.000 0.208 639 R C -0.052 176.207 176.300 -0.069 0.000 1.033 639 R CA 0.238 56.298 56.100 -0.066 0.000 1.000 639 R CB 0.304 30.547 30.300 -0.095 0.000 0.906 639 R HN 0.116 nan 8.270 nan 0.000 0.462 640 L N 0.617 121.816 121.223 -0.039 0.000 2.505 640 L HA 0.400 4.732 4.340 -0.013 0.000 0.266 640 L C -1.549 175.298 176.870 -0.037 0.000 0.954 640 L CA -0.512 54.304 54.840 -0.040 0.000 0.852 640 L CB 1.847 43.896 42.059 -0.017 0.000 1.282 640 L HN -0.180 nan 8.230 nan 0.000 0.403 641 R N 3.836 124.301 120.500 -0.058 0.000 2.628 641 R HA 0.775 5.107 4.340 -0.013 0.000 0.288 641 R C -1.678 174.569 176.300 -0.088 0.000 0.980 641 R CA -0.773 55.283 56.100 -0.073 0.000 0.891 641 R CB 2.404 32.662 30.300 -0.071 0.000 1.188 641 R HN 0.419 nan 8.270 nan 0.000 0.450 642 V N 4.801 124.661 119.914 -0.090 0.000 2.407 642 V HA 0.517 4.629 4.120 -0.013 0.000 0.291 642 V C -0.311 175.739 176.094 -0.074 0.000 1.018 642 V CA -0.739 61.509 62.300 -0.087 0.000 0.842 642 V CB 1.674 33.444 31.823 -0.089 0.000 0.996 642 V HN 0.544 nan 8.190 nan 0.000 0.426 643 I N 4.845 125.370 120.570 -0.075 0.000 2.498 643 I HA 0.436 4.598 4.170 -0.013 0.000 0.290 643 I C -0.676 175.425 176.117 -0.027 0.000 1.032 643 I CA -0.315 60.950 61.300 -0.058 0.000 1.073 643 I CB 1.968 39.907 38.000 -0.102 0.000 1.251 643 I HN 0.551 nan 8.210 nan 0.000 0.426 644 F N 6.968 126.848 119.950 -0.116 0.000 2.411 644 F HA 0.463 4.982 4.527 -0.013 0.000 0.355 644 F C -0.456 175.273 175.800 -0.119 0.000 1.117 644 F CA -0.599 57.335 58.000 -0.111 0.000 1.139 644 F CB 0.639 39.579 39.000 -0.101 0.000 1.120 644 F HN 0.181 nan 8.300 nan 0.000 0.493 645 L N 6.246 127.088 121.223 -0.635 0.000 2.342 645 L HA 0.161 4.493 4.340 -0.013 0.000 0.285 645 L C 0.272 176.886 176.870 -0.426 0.000 1.095 645 L CA 0.138 54.719 54.840 -0.432 0.000 0.843 645 L CB 0.120 42.001 42.059 -0.296 0.000 1.201 645 L HN 0.605 nan 8.230 nan 0.000 0.445 646 E N 3.267 123.350 120.200 -0.194 0.000 2.373 646 E HA -0.011 4.331 4.350 -0.013 0.000 0.267 646 E C 0.477 177.136 176.600 0.098 0.000 1.032 646 E CA -0.241 56.192 56.400 0.055 0.000 0.889 646 E CB 0.340 30.072 29.700 0.053 0.000 0.984 646 E HN 0.540 nan 8.360 nan 0.000 0.425 647 N N 2.486 121.305 118.700 0.197 0.000 2.740 647 N HA -0.281 4.452 4.740 -0.013 0.000 0.248 647 N C -1.505 174.100 175.510 0.158 0.000 1.062 647 N CA 0.536 53.698 53.050 0.186 0.000 0.704 647 N CB -1.672 36.941 38.487 0.209 0.000 0.968 647 N HN 0.491 nan 8.380 nan 0.000 0.547 648 Y N 1.541 121.850 120.300 0.015 0.000 2.721 648 Y HA 0.118 4.660 4.550 -0.014 0.000 0.329 648 Y C 1.168 177.086 175.900 0.030 0.000 1.211 648 Y CA 0.782 58.879 58.100 -0.005 0.000 1.512 648 Y CB 0.272 38.697 38.460 -0.058 0.000 1.249 648 Y HN 0.366 nan 8.280 nan 0.000 0.549 649 R N 2.449 122.608 120.500 -0.568 0.000 2.762 649 R HA 0.445 4.777 4.340 -0.013 0.000 0.271 649 R C -0.492 175.472 176.300 -0.561 0.000 1.038 649 R CA -0.539 55.304 56.100 -0.429 0.000 0.906 649 R CB 0.286 30.516 30.300 -0.117 0.000 1.259 649 R HN 0.348 nan 8.270 nan 0.000 0.457 650 V N 1.079 120.711 119.914 -0.470 0.000 2.287 650 V HA -0.285 3.827 4.120 -0.013 0.000 0.248 650 V C 2.598 178.566 176.094 -0.210 0.000 1.053 650 V CA 2.810 64.893 62.300 -0.362 0.000 1.027 650 V CB -0.846 30.739 31.823 -0.397 0.000 0.646 650 V HN 0.918 nan 8.190 nan 0.000 0.447 651 S N 0.079 115.674 115.700 -0.175 0.000 2.399 651 S HA -0.172 4.290 4.470 -0.013 0.000 0.231 651 S C 1.939 176.487 174.600 -0.087 0.000 1.022 651 S CA 1.610 59.736 58.200 -0.123 0.000 0.983 651 S CB -0.530 62.624 63.200 -0.076 0.000 0.803 651 S HN 0.383 nan 8.310 nan 0.000 0.480 652 L N 2.106 123.285 121.223 -0.072 0.000 2.072 652 L HA 0.277 4.609 4.340 -0.013 0.000 0.205 652 L C 2.731 179.623 176.870 0.036 0.000 1.079 652 L CA 1.485 56.332 54.840 0.011 0.000 0.752 652 L CB -1.359 40.763 42.059 0.105 0.000 0.906 652 L HN 0.357 nan 8.230 nan 0.000 0.436 653 A N -0.677 122.131 122.820 -0.019 0.000 1.940 653 A HA -0.265 4.047 4.320 -0.013 0.000 0.219 653 A C 2.137 179.791 177.584 0.117 0.000 1.176 653 A CA 1.975 54.081 52.037 0.115 0.000 0.631 653 A CB -0.664 18.383 19.000 0.079 0.000 0.814 653 A HN 0.612 nan 8.150 nan 0.000 0.446 654 E N -0.511 119.735 120.200 0.076 0.000 2.265 654 E HA -0.157 4.185 4.350 -0.013 0.000 0.196 654 E C 1.903 178.476 176.600 -0.046 0.000 0.996 654 E CA 1.184 57.584 56.400 0.000 0.000 0.832 654 E CB -0.044 29.560 29.700 -0.160 0.000 0.756 654 E HN 0.636 nan 8.360 nan 0.000 0.491 655 K N 0.010 120.371 120.400 -0.065 0.000 2.141 655 K HA 0.026 4.338 4.320 -0.013 0.000 0.202 655 K C 2.163 178.621 176.600 -0.236 0.000 1.045 655 K CA 0.458 56.700 56.287 -0.075 0.000 0.971 655 K CB 0.017 32.477 32.500 -0.067 0.000 0.795 655 K HN -0.039 nan 8.250 nan 0.000 0.459 656 V N 1.888 121.583 119.914 -0.365 0.000 2.488 656 V HA -0.126 3.986 4.120 -0.013 0.000 0.246 656 V C 1.910 177.769 176.094 -0.391 0.000 1.046 656 V CA 1.181 63.031 62.300 -0.751 0.000 1.053 656 V CB -0.156 31.337 31.823 -0.550 0.000 0.679 656 V HN 0.230 nan 8.190 nan 0.000 0.458 657 I N 0.733 121.129 120.570 -0.290 0.000 2.163 657 I HA -0.142 4.020 4.170 -0.013 0.000 0.243 657 I C -0.195 175.811 176.117 -0.184 0.000 1.085 657 I CA 1.733 62.793 61.300 -0.401 0.000 1.347 657 I CB -1.567 36.063 38.000 -0.617 0.000 1.044 657 I HN 0.361 nan 8.210 nan 0.000 0.408 658 P HA -0.143 nan 4.420 nan 0.000 0.221 658 P C 1.070 178.366 177.300 -0.007 0.000 1.145 658 P CA 1.406 64.483 63.100 -0.037 0.000 0.795 658 P CB 0.001 31.687 31.700 -0.023 0.000 0.775 659 A N -1.057 121.741 122.820 -0.036 0.000 2.178 659 A HA 0.409 4.721 4.320 -0.013 0.000 0.211 659 A C 1.258 178.934 177.584 0.153 0.000 1.157 659 A CA 0.273 52.339 52.037 0.048 0.000 0.780 659 A CB -0.777 18.245 19.000 0.037 0.000 0.828 659 A HN 0.214 nan 8.150 nan 0.000 0.476 660 A N 0.028 122.943 122.820 0.159 0.000 2.388 660 A HA 0.441 4.753 4.320 -0.013 0.000 0.257 660 A C 0.382 178.108 177.584 0.236 0.000 1.095 660 A CA -0.063 52.130 52.037 0.261 0.000 0.791 660 A CB 0.305 19.553 19.000 0.414 0.000 1.029 660 A HN 0.292 nan 8.150 nan 0.000 0.489 661 D N 0.402 120.939 120.400 0.228 0.000 2.323 661 D HA 0.119 4.751 4.640 -0.013 0.000 0.218 661 D C 0.051 176.553 176.300 0.337 0.000 0.973 661 D CA 0.748 54.932 54.000 0.307 0.000 0.890 661 D CB 0.286 41.181 40.800 0.157 0.000 1.011 661 D HN 0.362 nan 8.370 nan 0.000 0.499 662 L N 1.087 122.392 121.223 0.138 0.000 2.376 662 L HA 0.290 4.622 4.340 -0.013 0.000 0.275 662 L C -0.874 175.876 176.870 -0.200 0.000 0.987 662 L CA -0.304 54.547 54.840 0.019 0.000 0.828 662 L CB 2.102 44.149 42.059 -0.020 0.000 1.249 662 L HN -0.187 nan 8.230 nan 0.000 0.409 663 S N 4.273 119.774 115.700 -0.332 0.000 2.429 663 S HA 0.333 4.795 4.470 -0.013 0.000 0.302 663 S C -0.401 173.948 174.600 -0.418 0.000 1.115 663 S CA -0.660 57.108 58.200 -0.719 0.000 1.095 663 S CB 0.670 63.391 63.200 -0.799 0.000 0.987 663 S HN 0.556 nan 8.310 nan 0.000 0.474 664 E N 4.151 124.111 120.200 -0.400 0.000 2.044 664 E HA 0.205 4.547 4.350 -0.013 0.000 0.282 664 E C -0.544 175.959 176.600 -0.162 0.000 1.031 664 E CA -0.402 55.885 56.400 -0.187 0.000 0.824 664 E CB 0.991 30.606 29.700 -0.143 0.000 1.076 664 E HN 0.604 nan 8.360 nan 0.000 0.395 665 Q N 2.810 122.570 119.800 -0.068 0.000 2.965 665 Q HA 0.270 4.602 4.340 -0.013 0.000 0.288 665 Q C 0.621 176.611 176.000 -0.016 0.000 0.974 665 Q CA -0.135 55.636 55.803 -0.053 0.000 0.849 665 Q CB 0.203 28.920 28.738 -0.035 0.000 1.280 665 Q HN 0.607 nan 8.270 nan 0.000 0.441 666 I N -1.818 118.729 120.570 -0.039 0.000 3.654 666 I HA 0.267 4.429 4.170 -0.013 0.000 0.337 666 I C 0.439 176.507 176.117 -0.082 0.000 1.568 666 I CA -0.698 60.592 61.300 -0.018 0.000 1.115 666 I CB 0.484 38.481 38.000 -0.005 0.000 1.300 666 I HN -0.005 nan 8.210 nan 0.000 0.471 667 S N 0.408 116.057 115.700 -0.085 0.000 2.573 667 S HA 0.169 4.631 4.470 -0.013 0.000 0.277 667 S C 0.580 175.158 174.600 -0.037 0.000 1.346 667 S CA -0.254 57.913 58.200 -0.054 0.000 1.034 667 S CB 0.253 63.467 63.200 0.024 0.000 0.879 667 S HN 0.383 nan 8.310 nan 0.000 0.528 668 T N 2.761 117.327 114.554 0.019 0.000 2.902 668 T HA 0.375 4.717 4.350 -0.013 0.000 0.301 668 T C 0.755 175.465 174.700 0.017 0.000 1.012 668 T CA 0.265 62.386 62.100 0.035 0.000 1.151 668 T CB -0.008 68.952 68.868 0.154 0.000 0.946 668 T HN 1.019 nan 8.240 nan 0.000 0.542 669 A N 2.716 125.515 122.820 -0.034 0.000 2.566 669 A HA 0.451 4.763 4.320 -0.013 0.000 0.245 669 A C 1.624 179.202 177.584 -0.009 0.000 1.056 669 A CA 0.279 52.291 52.037 -0.040 0.000 0.757 669 A CB -0.910 18.054 19.000 -0.060 0.000 0.979 669 A HN 1.739 nan 8.150 nan 0.000 0.508 670 G N 1.466 110.260 108.800 -0.010 0.000 2.157 670 G HA2 -0.223 3.729 3.960 -0.013 0.000 0.239 670 G HA3 -0.223 3.729 3.960 -0.013 0.000 0.239 670 G C 0.775 175.668 174.900 -0.012 0.000 0.982 670 G CA 1.126 46.222 45.100 -0.006 0.000 0.650 670 G HN 1.991 nan 8.290 nan 0.000 0.527 671 T N -2.745 111.800 114.554 -0.016 0.000 3.026 671 T HA 0.412 4.754 4.350 -0.013 0.000 0.245 671 T C 0.716 175.276 174.700 -0.234 0.000 1.004 671 T CA 0.989 63.021 62.100 -0.113 0.000 1.069 671 T CB 0.564 69.417 68.868 -0.025 0.000 1.005 671 T HN 0.276 nan 8.240 nan 0.000 0.472 672 E N 1.590 121.782 120.200 -0.014 0.000 2.052 672 E HA 0.660 5.002 4.350 -0.013 0.000 0.283 672 E C 1.148 177.700 176.600 -0.080 0.000 1.071 672 E CA 0.104 56.533 56.400 0.049 0.000 0.851 672 E CB 0.855 30.638 29.700 0.139 0.000 1.066 672 E HN 0.362 nan 8.360 nan 0.000 0.396 673 A N 3.446 126.141 122.820 -0.208 0.000 1.892 673 A HA -0.202 4.110 4.320 -0.013 0.000 0.218 673 A C 1.995 179.453 177.584 -0.210 0.000 1.188 673 A CA 2.214 53.991 52.037 -0.434 0.000 0.631 673 A CB -0.301 18.188 19.000 -0.851 0.000 0.822 673 A HN 0.604 nan 8.150 nan 0.000 0.447 674 S N -3.678 111.957 115.700 -0.109 0.000 3.792 674 S HA 0.455 4.917 4.470 -0.013 0.000 0.229 674 S C 0.722 175.310 174.600 -0.021 0.000 1.118 674 S CA 1.475 59.657 58.200 -0.030 0.000 0.877 674 S CB -0.082 63.126 63.200 0.012 0.000 1.077 674 S HN 2.249 nan 8.310 nan 0.000 0.546 675 G N 0.408 109.200 108.800 -0.013 0.000 2.722 675 G HA2 -0.072 3.880 3.960 -0.013 0.000 0.686 675 G HA3 -0.072 3.880 3.960 -0.013 0.000 0.686 675 G C 0.250 175.130 174.900 -0.033 0.000 1.282 675 G CA 0.448 45.537 45.100 -0.018 0.000 0.817 675 G HN 1.272 nan 8.290 nan 0.000 0.605 676 T N -1.593 112.929 114.554 -0.053 0.000 3.010 676 T HA 0.378 4.720 4.350 -0.013 0.000 0.253 676 T C 2.429 177.031 174.700 -0.163 0.000 0.939 676 T CA 1.275 63.316 62.100 -0.098 0.000 0.910 676 T CB 0.221 69.026 68.868 -0.105 0.000 1.226 676 T HN 1.908 nan 8.240 nan 0.000 0.508 677 G N 3.259 111.988 108.800 -0.119 0.000 2.469 677 G HA2 -0.324 3.628 3.960 -0.013 0.000 0.219 677 G HA3 -0.324 3.628 3.960 -0.013 0.000 0.219 677 G C 1.475 176.421 174.900 0.076 0.000 1.150 677 G CA 1.313 46.366 45.100 -0.080 0.000 0.763 677 G HN 0.845 nan 8.290 nan 0.000 0.561 678 N N -0.079 118.651 118.700 0.051 0.000 2.091 678 N HA -0.125 4.607 4.740 -0.013 0.000 0.193 678 N C 1.449 176.961 175.510 0.004 0.000 1.021 678 N CA 0.752 53.832 53.050 0.050 0.000 0.862 678 N CB -0.351 38.119 38.487 -0.029 0.000 1.018 678 N HN 0.353 nan 8.380 nan 0.000 0.429 682 M N 0.307 119.983 119.600 0.126 0.000 2.108 682 M HA -0.173 4.299 4.480 -0.013 0.000 0.261 682 M C 1.989 178.331 176.300 0.071 0.000 1.066 682 M CA 1.859 57.200 55.300 0.068 0.000 1.107 682 M CB -0.088 32.550 32.600 0.063 0.000 1.356 682 M HN 0.321 nan 8.290 nan 0.000 0.406 683 L N 0.662 121.927 121.223 0.069 0.000 2.217 683 L HA -0.079 4.253 4.340 -0.013 0.000 0.211 683 L C 1.336 178.244 176.870 0.064 0.000 1.107 683 L CA 1.622 56.511 54.840 0.081 0.000 0.783 683 L CB -0.590 41.526 42.059 0.095 0.000 0.919 683 L HN 0.344 nan 8.230 nan 0.000 0.442 684 N N -0.287 118.441 118.700 0.048 0.000 2.235 684 N HA 0.169 4.901 4.740 -0.013 0.000 0.209 684 N C 0.797 176.338 175.510 0.052 0.000 1.122 684 N CA 0.777 53.851 53.050 0.039 0.000 0.845 684 N CB 0.566 39.054 38.487 0.003 0.000 1.004 684 N HN 0.390 nan 8.380 nan 0.000 0.499 685 G N 0.679 109.514 108.800 0.057 0.000 2.171 685 G HA2 -0.200 3.752 3.960 -0.013 0.000 0.238 685 G HA3 -0.200 3.752 3.960 -0.013 0.000 0.238 685 G C -0.020 174.938 174.900 0.097 0.000 1.039 685 G CA 0.144 45.276 45.100 0.053 0.000 0.759 685 G HN 0.508 nan 8.290 nan 0.000 0.501 686 A N -0.321 122.567 122.820 0.114 0.000 2.312 686 A HA 0.878 5.190 4.320 -0.013 0.000 0.328 686 A C 0.478 178.049 177.584 -0.022 0.000 1.158 686 A CA -0.624 51.494 52.037 0.135 0.000 0.821 686 A CB 0.964 20.103 19.000 0.232 0.000 1.170 686 A HN 0.739 nan 8.150 nan 0.000 0.490 687 L N 0.825 121.998 121.223 -0.082 0.000 2.421 687 L HA 0.426 4.758 4.340 -0.013 0.000 0.263 687 L C 0.229 176.979 176.870 -0.199 0.000 1.122 687 L CA -0.298 54.392 54.840 -0.250 0.000 0.804 687 L CB 1.332 43.167 42.059 -0.373 0.000 1.150 687 L HN 0.681 nan 8.230 nan 0.000 0.457 688 T N 2.661 116.998 114.554 -0.361 0.000 2.779 688 T HA 0.450 4.792 4.350 -0.013 0.000 0.280 688 T C -0.377 174.310 174.700 -0.022 0.000 0.987 688 T CA -0.263 61.669 62.100 -0.280 0.000 0.966 688 T CB 1.476 70.078 68.868 -0.442 0.000 0.933 688 T HN 0.350 nan 8.240 nan 0.000 0.442 689 I N 3.081 123.683 120.570 0.054 0.000 2.321 689 I HA 0.699 4.861 4.170 -0.013 0.000 0.291 689 I C 0.147 176.437 176.117 0.289 0.000 0.998 689 I CA 0.133 61.561 61.300 0.214 0.000 1.227 689 I CB 0.261 38.313 38.000 0.085 0.000 1.368 689 I HN 0.773 nan 8.210 nan 0.000 0.466 690 G N 4.000 113.035 108.800 0.392 0.000 2.646 690 G HA2 0.461 4.413 3.960 -0.013 0.000 0.291 690 G HA3 0.461 4.413 3.960 -0.013 0.000 0.291 690 G C -0.879 173.952 174.900 -0.115 0.000 1.445 690 G CA -0.449 44.772 45.100 0.201 0.000 0.814 690 G HN 0.584 nan 8.290 nan 0.000 0.495 691 T N -1.190 113.158 114.554 -0.343 0.000 2.849 691 T HA 0.488 4.830 4.350 -0.013 0.000 0.284 691 T C 0.772 175.348 174.700 -0.206 0.000 1.004 691 T CA -0.674 61.150 62.100 -0.461 0.000 1.021 691 T CB 1.053 69.664 68.868 -0.427 0.000 1.013 691 T HN 0.256 nan 8.240 nan 0.000 0.527 692 M N 2.861 122.352 119.600 -0.181 0.000 3.254 692 M HA 0.320 4.792 4.480 -0.013 0.000 0.257 692 M C -0.445 175.799 176.300 -0.093 0.000 1.490 692 M CA -0.008 55.223 55.300 -0.115 0.000 1.620 692 M CB -1.782 30.760 32.600 -0.096 0.000 1.157 692 M HN 0.735 nan 8.290 nan 0.000 0.541 693 D N 0.045 120.396 120.400 -0.081 0.000 2.732 693 D HA 0.662 5.294 4.640 -0.013 0.000 0.229 693 D C 0.696 176.973 176.300 -0.039 0.000 1.152 693 D CA 0.726 54.694 54.000 -0.054 0.000 0.854 693 D CB 1.710 42.479 40.800 -0.052 0.000 1.590 693 D HN 0.603 nan 8.370 nan 0.000 0.468 694 G N 1.882 110.669 108.800 -0.021 0.000 2.627 694 G HA2 -0.264 3.688 3.960 -0.013 0.000 0.312 694 G HA3 -0.264 3.688 3.960 -0.013 0.000 0.312 694 G C 1.068 175.962 174.900 -0.010 0.000 1.299 694 G CA 1.170 46.263 45.100 -0.013 0.000 0.989 694 G HN 1.090 nan 8.290 nan 0.000 0.547 695 A N -0.340 122.470 122.820 -0.017 0.000 2.167 695 A HA 0.096 4.408 4.320 -0.013 0.000 0.214 695 A C 2.115 179.640 177.584 -0.099 0.000 1.151 695 A CA 1.840 53.864 52.037 -0.022 0.000 0.735 695 A CB -0.458 18.521 19.000 -0.035 0.000 0.802 695 A HN 0.631 nan 8.150 nan 0.000 0.467 696 N N 0.596 119.240 118.700 -0.092 0.000 2.094 696 N HA -0.166 4.566 4.740 -0.013 0.000 0.191 696 N C 1.587 176.984 175.510 -0.189 0.000 1.023 696 N CA 1.663 54.649 53.050 -0.107 0.000 0.857 696 N CB -0.659 37.801 38.487 -0.045 0.000 1.013 696 N HN 0.291 nan 8.380 nan 0.000 0.426 697 V N 1.174 121.014 119.914 -0.122 0.000 2.332 697 V HA -0.218 3.894 4.120 -0.013 0.000 0.248 697 V C 1.970 177.996 176.094 -0.113 0.000 1.055 697 V CA 1.725 63.953 62.300 -0.120 0.000 1.038 697 V CB -0.495 31.288 31.823 -0.066 0.000 0.651 697 V HN 0.364 nan 8.190 nan 0.000 0.450 698 E N -0.626 119.561 120.200 -0.022 0.000 2.158 698 E HA -0.113 4.229 4.350 -0.013 0.000 0.191 698 E C 2.228 178.936 176.600 0.179 0.000 0.982 698 E CA 0.972 57.434 56.400 0.102 0.000 0.823 698 E CB -0.185 29.661 29.700 0.242 0.000 0.766 698 E HN 0.535 nan 8.360 nan 0.000 0.468 699 M N 0.582 120.179 119.600 -0.005 0.000 2.086 699 M HA -0.172 4.300 4.480 -0.013 0.000 0.261 699 M C 2.508 178.494 176.300 -0.522 0.000 1.067 699 M CA 1.631 56.829 55.300 -0.170 0.000 1.116 699 M CB -0.242 32.165 32.600 -0.321 0.000 1.348 699 M HN 0.146 nan 8.290 nan 0.000 0.407 700 A N -0.177 122.070 122.820 -0.955 0.000 1.933 700 A HA -0.216 4.096 4.320 -0.013 0.000 0.218 700 A C 1.988 179.351 177.584 -0.368 0.000 1.175 700 A CA 1.941 53.381 52.037 -0.996 0.000 0.628 700 A CB -0.806 17.733 19.000 -0.768 0.000 0.814 700 A HN 0.595 nan 8.150 nan 0.000 0.444 701 E N -0.374 119.696 120.200 -0.217 0.000 2.077 701 E HA -0.219 4.123 4.350 -0.013 0.000 0.193 701 E C 1.778 178.348 176.600 -0.052 0.000 0.989 701 E CA 1.285 57.625 56.400 -0.100 0.000 0.800 701 E CB -0.078 29.585 29.700 -0.062 0.000 0.746 701 E HN 0.547 nan 8.360 nan 0.000 0.452 702 E N 0.147 120.342 120.200 -0.008 0.000 2.047 702 E HA -0.137 4.205 4.350 -0.013 0.000 0.191 702 E C 1.876 178.504 176.600 0.047 0.000 0.987 702 E CA 1.183 57.605 56.400 0.038 0.000 0.799 702 E CB -0.220 29.557 29.700 0.128 0.000 0.752 702 E HN 0.374 nan 8.360 nan 0.000 0.449 703 A N 0.339 123.196 122.820 0.061 0.000 2.021 703 A HA 0.329 4.641 4.320 -0.013 0.000 0.216 703 A C 1.071 178.691 177.584 0.060 0.000 1.163 703 A CA 1.140 53.244 52.037 0.111 0.000 0.676 703 A CB -0.024 19.147 19.000 0.285 0.000 0.818 703 A HN 0.265 nan 8.150 nan 0.000 0.453 704 G N -0.637 108.165 108.800 0.004 0.000 3.055 704 G HA2 -0.090 3.862 3.960 -0.013 0.000 0.686 704 G HA3 -0.090 3.862 3.960 -0.013 0.000 0.686 704 G C -0.025 174.870 174.900 -0.008 0.000 1.087 704 G CA 0.015 45.108 45.100 -0.011 0.000 0.779 704 G HN 0.234 nan 8.290 nan 0.000 0.599 705 E N 0.939 121.116 120.200 -0.039 0.000 2.209 705 E HA -0.168 4.174 4.350 -0.013 0.000 0.196 705 E C 2.080 178.669 176.600 -0.018 0.000 0.993 705 E CA 1.743 58.125 56.400 -0.030 0.000 0.819 705 E CB 0.076 29.753 29.700 -0.038 0.000 0.745 705 E HN 0.774 nan 8.360 nan 0.000 0.477 706 E N 0.765 120.944 120.200 -0.036 0.000 2.265 706 E HA -0.122 4.220 4.350 -0.013 0.000 0.196 706 E C 1.076 177.592 176.600 -0.140 0.000 0.996 706 E CA 0.764 57.120 56.400 -0.073 0.000 0.832 706 E CB -0.043 29.625 29.700 -0.052 0.000 0.756 706 E HN 0.163 nan 8.360 nan 0.000 0.491 707 N N -0.488 118.164 118.700 -0.080 0.000 2.235 707 N HA 0.138 4.870 4.740 -0.013 0.000 0.209 707 N C -0.868 174.555 175.510 -0.144 0.000 1.122 707 N CA 0.107 53.079 53.050 -0.131 0.000 0.845 707 N CB 0.429 38.897 38.487 -0.031 0.000 1.004 707 N HN 0.042 nan 8.380 nan 0.000 0.499 708 F N -0.400 119.344 119.950 -0.344 0.000 2.577 708 F HA 0.422 4.940 4.527 -0.014 0.000 0.318 708 F C -0.460 175.106 175.800 -0.390 0.000 1.065 708 F CA -1.080 56.748 58.000 -0.286 0.000 0.929 708 F CB 1.242 40.169 39.000 -0.121 0.000 1.237 708 F HN -0.216 nan 8.300 nan 0.000 0.468 709 F N 4.273 124.272 119.950 0.082 0.000 2.329 709 F HA 0.434 4.953 4.527 -0.013 0.000 0.362 709 F C -0.130 175.804 175.800 0.224 0.000 1.113 709 F CA -0.432 57.631 58.000 0.105 0.000 1.212 709 F CB -0.038 38.976 39.000 0.023 0.000 1.509 709 F HN 0.060 nan 8.300 nan 0.000 0.546 710 I N 4.070 124.832 120.570 0.320 0.000 2.396 710 I HA 0.400 4.562 4.170 -0.013 0.000 0.292 710 I C -0.265 176.037 176.117 0.308 0.000 0.999 710 I CA -0.651 60.800 61.300 0.251 0.000 1.310 710 I CB 0.832 38.901 38.000 0.114 0.000 1.404 710 I HN 0.344 nan 8.210 nan 0.000 0.496 711 F N 3.510 123.522 119.950 0.103 0.000 2.685 711 F HA 0.943 5.462 4.527 -0.014 0.000 0.315 711 F C 0.004 175.842 175.800 0.063 0.000 1.126 711 F CA -0.659 57.394 58.000 0.087 0.000 0.950 711 F CB 1.052 40.120 39.000 0.112 0.000 1.360 711 F HN 0.786 nan 8.300 nan 0.000 0.469 712 G N 1.033 109.891 108.800 0.097 0.000 2.710 712 G HA2 -0.059 3.893 3.960 -0.013 0.000 0.668 712 G HA3 -0.059 3.893 3.960 -0.013 0.000 0.668 712 G C -0.935 173.937 174.900 -0.047 0.000 1.320 712 G CA -0.660 44.436 45.100 -0.007 0.000 0.860 712 G HN 0.954 nan 8.290 nan 0.000 0.538 713 M N 0.886 120.469 119.600 -0.029 0.000 2.249 713 M HA 0.215 4.687 4.480 -0.013 0.000 0.340 713 M C 1.227 177.493 176.300 -0.058 0.000 1.166 713 M CA 0.049 55.339 55.300 -0.018 0.000 1.115 713 M CB 0.283 32.882 32.600 -0.002 0.000 1.606 713 M HN 0.514 nan 8.290 nan 0.000 0.448 714 R N 1.735 122.215 120.500 -0.034 0.000 2.541 714 R HA 0.247 4.579 4.340 -0.013 0.000 0.263 714 R C 1.245 177.527 176.300 -0.031 0.000 1.112 714 R CA -0.534 55.541 56.100 -0.042 0.000 1.170 714 R CB -0.025 30.258 30.300 -0.029 0.000 1.167 714 R HN 0.580 nan 8.270 nan 0.000 0.582 715 V N 1.532 121.427 119.914 -0.032 0.000 2.317 715 V HA -0.293 3.819 4.120 -0.013 0.000 0.251 715 V C 1.898 177.983 176.094 -0.016 0.000 1.065 715 V CA 2.137 64.423 62.300 -0.024 0.000 1.049 715 V CB -0.480 31.327 31.823 -0.027 0.000 0.651 715 V HN 0.637 nan 8.190 nan 0.000 0.450 716 E N 0.063 120.256 120.200 -0.013 0.000 2.110 716 E HA -0.183 4.159 4.350 -0.013 0.000 0.193 716 E C 1.951 178.555 176.600 0.007 0.000 0.988 716 E CA 1.364 57.761 56.400 -0.004 0.000 0.804 716 E CB -0.354 29.344 29.700 -0.004 0.000 0.745 716 E HN 0.634 nan 8.360 nan 0.000 0.458 717 D N -0.206 120.200 120.400 0.010 0.000 2.144 717 D HA -0.091 4.541 4.640 -0.013 0.000 0.200 717 D C 1.981 178.299 176.300 0.029 0.000 0.978 717 D CA 0.779 54.795 54.000 0.027 0.000 0.833 717 D CB -0.095 40.724 40.800 0.032 0.000 0.961 717 D HN 0.065 nan 8.370 nan 0.000 0.470 718 V N 1.815 121.734 119.914 0.009 0.000 2.295 718 V HA -0.220 3.892 4.120 -0.013 0.000 0.246 718 V C 1.960 178.057 176.094 0.005 0.000 1.049 718 V CA 1.707 64.006 62.300 -0.002 0.000 1.024 718 V CB -0.436 31.375 31.823 -0.019 0.000 0.648 718 V HN 0.019 nan 8.190 nan 0.000 0.447 719 D N -0.119 120.283 120.400 0.004 0.000 2.123 719 D HA -0.154 4.478 4.640 -0.013 0.000 0.196 719 D C 2.424 178.737 176.300 0.021 0.000 0.992 719 D CA 1.264 55.268 54.000 0.006 0.000 0.833 719 D CB -0.266 40.533 40.800 -0.000 0.000 0.954 719 D HN 0.355 nan 8.370 nan 0.000 0.455 720 R N 0.001 120.518 120.500 0.029 0.000 2.081 720 R HA -0.029 4.303 4.340 -0.013 0.000 0.235 720 R C 2.490 178.827 176.300 0.061 0.000 1.131 720 R CA 0.549 56.674 56.100 0.041 0.000 0.960 720 R CB -0.382 29.945 30.300 0.045 0.000 0.856 720 R HN 0.206 nan 8.270 nan 0.000 0.436 721 L N 0.628 121.897 121.223 0.077 0.000 2.093 721 L HA -0.198 4.134 4.340 -0.013 0.000 0.208 721 L C 1.455 178.393 176.870 0.114 0.000 1.085 721 L CA 1.271 56.184 54.840 0.122 0.000 0.755 721 L CB -0.226 41.923 42.059 0.151 0.000 0.904 721 L HN 0.232 nan 8.230 nan 0.000 0.435 722 D N -0.583 119.857 120.400 0.067 0.000 2.144 722 D HA -0.192 4.440 4.640 -0.013 0.000 0.200 722 D C 2.201 178.531 176.300 0.051 0.000 0.978 722 D CA 1.048 55.079 54.000 0.053 0.000 0.833 722 D CB 0.004 40.814 40.800 0.017 0.000 0.961 722 D HN 0.427 nan 8.370 nan 0.000 0.470 723 Q N 0.094 119.920 119.800 0.044 0.000 2.084 723 Q HA -0.092 4.240 4.340 -0.013 0.000 0.202 723 Q C 2.248 178.274 176.000 0.044 0.000 0.978 723 Q CA 0.920 56.745 55.803 0.037 0.000 0.844 723 Q CB 0.054 28.810 28.738 0.030 0.000 0.898 723 Q HN 0.129 nan 8.270 nan 0.000 0.426 724 R N -0.399 120.135 120.500 0.057 0.000 2.093 724 R HA 0.014 4.346 4.340 -0.013 0.000 0.224 724 R C -0.105 176.234 176.300 0.066 0.000 1.101 724 R CA 0.897 57.032 56.100 0.058 0.000 0.979 724 R CB 0.269 30.610 30.300 0.068 0.000 0.877 724 R HN 0.284 nan 8.270 nan 0.000 0.441 725 G N -0.208 108.646 108.800 0.090 0.000 3.367 725 G HA2 -0.248 3.704 3.960 -0.013 0.000 0.686 725 G HA3 -0.248 3.704 3.960 -0.013 0.000 0.686 725 G C -1.431 173.563 174.900 0.156 0.000 1.146 725 G CA -0.454 44.708 45.100 0.104 0.000 0.913 725 G HN 0.263 nan 8.290 nan 0.000 0.554 726 Y N 3.148 123.482 120.300 0.056 0.000 2.436 726 Y HA 0.589 5.131 4.550 -0.013 0.000 0.343 726 Y C 0.257 176.211 175.900 0.090 0.000 1.008 726 Y CA -1.067 57.084 58.100 0.085 0.000 1.241 726 Y CB 1.124 39.617 38.460 0.056 0.000 1.153 726 Y HN 0.624 nan 8.280 nan 0.000 0.521 727 N N 4.769 123.249 118.700 -0.367 0.000 2.564 727 N HA 0.364 5.096 4.740 -0.013 0.000 0.248 727 N C 0.205 175.465 175.510 -0.416 0.000 0.986 727 N CA 0.214 53.064 53.050 -0.334 0.000 0.921 727 N CB 1.259 39.670 38.487 -0.127 0.000 1.136 727 N HN 0.752 nan 8.380 nan 0.000 0.509 728 A N 2.853 125.354 122.820 -0.531 0.000 2.015 728 A HA -0.162 4.150 4.320 -0.013 0.000 0.219 728 A C 1.855 179.555 177.584 0.194 0.000 1.163 728 A CA 1.307 53.235 52.037 -0.181 0.000 0.646 728 A CB -0.422 18.373 19.000 -0.341 0.000 0.806 728 A HN 0.711 nan 8.150 nan 0.000 0.448 729 Q N 0.306 120.115 119.800 0.016 0.000 2.135 729 Q HA -0.224 4.108 4.340 -0.013 0.000 0.204 729 Q C 1.865 177.934 176.000 0.116 0.000 0.981 729 Q CA 2.184 58.022 55.803 0.058 0.000 0.856 729 Q CB -0.344 28.378 28.738 -0.027 0.000 0.902 729 Q HN 0.772 nan 8.270 nan 0.000 0.425 730 E N -1.328 118.878 120.200 0.011 0.000 2.070 730 E HA -0.250 4.092 4.350 -0.013 0.000 0.197 730 E C 1.525 178.052 176.600 -0.122 0.000 1.004 730 E CA 1.566 57.898 56.400 -0.113 0.000 0.805 730 E CB -0.218 29.310 29.700 -0.287 0.000 0.744 730 E HN 0.594 nan 8.360 nan 0.000 0.451 731 Y N -1.121 119.248 120.300 0.115 0.000 2.200 731 Y HA -0.205 4.337 4.550 -0.013 0.000 0.290 731 Y C 2.243 178.149 175.900 0.008 0.000 1.137 731 Y CA 1.503 59.660 58.100 0.094 0.000 1.163 731 Y CB -0.719 37.849 38.460 0.181 0.000 0.988 731 Y HN 0.220 nan 8.280 nan 0.000 0.518 732 Y N 1.419 121.762 120.300 0.071 0.000 2.151 732 Y HA -0.303 4.239 4.550 -0.013 0.000 0.284 732 Y C 1.828 177.704 175.900 -0.039 0.000 1.166 732 Y CA 1.947 60.016 58.100 -0.052 0.000 1.163 732 Y CB -0.410 38.076 38.460 0.043 0.000 0.974 732 Y HN 0.093 nan 8.280 nan 0.000 0.511 733 D N -0.470 120.029 120.400 0.165 0.000 2.178 733 D HA -0.097 4.535 4.640 -0.013 0.000 0.202 733 D C 1.840 178.121 176.300 -0.032 0.000 0.974 733 D CA 1.258 55.297 54.000 0.064 0.000 0.841 733 D CB -0.088 40.761 40.800 0.083 0.000 0.953 733 D HN 0.477 nan 8.370 nan 0.000 0.478 734 R N -0.341 120.139 120.500 -0.033 0.000 2.365 734 R HA 0.294 4.626 4.340 -0.013 0.000 0.223 734 R C 0.284 176.567 176.300 -0.028 0.000 0.899 734 R CA 0.058 56.138 56.100 -0.034 0.000 1.059 734 R CB 1.225 31.501 30.300 -0.038 0.000 1.086 734 R HN 0.141 nan 8.270 nan 0.000 0.522 735 I N 2.150 122.687 120.570 -0.054 0.000 2.464 735 I HA 0.234 4.396 4.170 -0.013 0.000 0.277 735 I C -1.973 174.062 176.117 -0.138 0.000 1.040 735 I CA -2.328 58.944 61.300 -0.046 0.000 1.153 735 I CB 2.095 40.105 38.000 0.018 0.000 1.274 735 I HN -0.297 nan 8.210 nan 0.000 0.469 736 P HA -0.163 nan 4.420 nan 0.000 0.216 736 P C 1.199 178.411 177.300 -0.147 0.000 1.150 736 P CA 1.367 64.381 63.100 -0.142 0.000 0.837 736 P CB 0.318 31.965 31.700 -0.088 0.000 0.786 737 E N -1.085 119.064 120.200 -0.084 0.000 2.150 737 E HA -0.151 4.191 4.350 -0.013 0.000 0.193 737 E C 1.834 178.349 176.600 -0.143 0.000 0.985 737 E CA 0.605 56.971 56.400 -0.056 0.000 0.814 737 E CB -0.529 29.204 29.700 0.054 0.000 0.752 737 E HN 0.120 nan 8.360 nan 0.000 0.466 738 L N 1.118 122.173 121.223 -0.279 0.000 2.072 738 L HA -0.107 4.225 4.340 -0.013 0.000 0.205 738 L C 2.338 178.952 176.870 -0.427 0.000 1.079 738 L CA 1.569 56.082 54.840 -0.545 0.000 0.752 738 L CB -0.269 41.317 42.059 -0.789 0.000 0.906 738 L HN -0.099 nan 8.230 nan 0.000 0.436 739 R N -0.813 119.412 120.500 -0.458 0.000 2.091 739 R HA -0.251 4.081 4.340 -0.013 0.000 0.238 739 R C 2.400 178.534 176.300 -0.277 0.000 1.136 739 R CA 2.047 57.793 56.100 -0.590 0.000 0.959 739 R CB -0.348 29.534 30.300 -0.697 0.000 0.856 739 R HN 0.603 nan 8.270 nan 0.000 0.437 740 Q N 0.430 120.106 119.800 -0.206 0.000 2.061 740 Q HA -0.199 4.133 4.340 -0.013 0.000 0.204 740 Q C 2.076 178.027 176.000 -0.081 0.000 0.984 740 Q CA 2.117 57.843 55.803 -0.129 0.000 0.846 740 Q CB -0.134 28.531 28.738 -0.123 0.000 0.902 740 Q HN 0.473 nan 8.270 nan 0.000 0.421 741 I N 0.629 121.152 120.570 -0.079 0.000 2.179 741 I HA -0.293 3.869 4.170 -0.013 0.000 0.242 741 I C 2.155 178.304 176.117 0.054 0.000 1.088 741 I CA 0.721 62.017 61.300 -0.006 0.000 1.357 741 I CB -0.358 37.611 38.000 -0.052 0.000 1.051 741 I HN 0.311 nan 8.210 nan 0.000 0.409 742 I N 0.824 121.422 120.570 0.047 0.000 2.286 742 I HA -0.240 3.922 4.170 -0.013 0.000 0.248 742 I C 2.443 178.667 176.117 0.177 0.000 1.115 742 I CA 1.652 63.050 61.300 0.163 0.000 1.392 742 I CB -1.306 36.883 38.000 0.315 0.000 1.065 742 I HN 0.347 nan 8.210 nan 0.000 0.418 743 E N 0.393 120.673 120.200 0.134 0.000 2.077 743 E HA -0.234 4.108 4.350 -0.013 0.000 0.193 743 E C 2.200 178.863 176.600 0.106 0.000 0.989 743 E CA 0.980 57.449 56.400 0.114 0.000 0.800 743 E CB -0.098 29.635 29.700 0.055 0.000 0.746 743 E HN 0.568 nan 8.360 nan 0.000 0.452 744 Q N 0.374 120.223 119.800 0.081 0.000 2.084 744 Q HA -0.140 4.192 4.340 -0.013 0.000 0.202 744 Q C 2.350 178.532 176.000 0.303 0.000 0.978 744 Q CA 1.024 56.893 55.803 0.110 0.000 0.844 744 Q CB -0.050 28.692 28.738 0.006 0.000 0.898 744 Q HN 0.306 nan 8.270 nan 0.000 0.426 745 L N -0.088 121.325 121.223 0.315 0.000 2.046 745 L HA -0.189 4.143 4.340 -0.013 0.000 0.208 745 L C 2.440 179.497 176.870 0.312 0.000 1.077 745 L CA 0.987 56.033 54.840 0.343 0.000 0.747 745 L CB -0.366 41.815 42.059 0.204 0.000 0.896 745 L HN 0.148 nan 8.230 nan 0.000 0.432 746 S N -0.342 115.496 115.700 0.229 0.000 2.383 746 S HA -0.141 4.321 4.470 -0.013 0.000 0.227 746 S C 2.090 176.791 174.600 0.169 0.000 1.026 746 S CA 1.495 59.808 58.200 0.187 0.000 0.981 746 S CB -0.171 63.120 63.200 0.153 0.000 0.818 746 S HN 0.601 nan 8.310 nan 0.000 0.472 747 S N 0.358 116.159 115.700 0.168 0.000 2.527 747 S HA 0.324 4.786 4.470 -0.013 0.000 0.222 747 S C 1.390 176.078 174.600 0.147 0.000 0.985 747 S CA 0.692 58.976 58.200 0.139 0.000 0.921 747 S CB -0.001 63.272 63.200 0.122 0.000 0.772 747 S HN 0.809 nan 8.310 nan 0.000 0.529 748 G N 0.601 109.521 108.800 0.199 0.000 2.141 748 G HA2 -0.259 3.693 3.960 -0.013 0.000 0.195 748 G HA3 -0.259 3.693 3.960 -0.013 0.000 0.195 748 G C 0.129 175.123 174.900 0.155 0.000 1.012 748 G CA 0.071 45.279 45.100 0.179 0.000 0.696 748 G HN 0.500 nan 8.290 nan 0.000 0.508 749 F N 0.143 120.098 119.950 0.008 0.000 2.216 749 F HA 0.206 4.725 4.527 -0.013 0.000 0.300 749 F C 1.859 177.459 175.800 -0.333 0.000 1.085 749 F CA 1.839 59.718 58.000 -0.203 0.000 1.326 749 F CB -0.006 38.787 39.000 -0.344 0.000 1.027 749 F HN 0.184 nan 8.300 nan 0.000 0.497 750 F N -0.360 119.708 119.950 0.197 0.000 2.664 750 F HA 0.203 4.722 4.527 -0.013 0.000 0.303 750 F C 0.592 176.491 175.800 0.164 0.000 1.092 750 F CA 0.177 58.253 58.000 0.127 0.000 1.305 750 F CB -0.086 39.013 39.000 0.165 0.000 1.054 750 F HN -0.046 nan 8.300 nan 0.000 0.565 751 S N -1.774 114.058 115.700 0.220 0.000 2.564 751 S HA 0.311 4.773 4.470 -0.013 0.000 0.141 751 S C -2.502 172.106 174.600 0.013 0.000 1.474 751 S CA -0.990 57.261 58.200 0.085 0.000 1.236 751 S CB 0.912 64.106 63.200 -0.010 0.000 1.481 751 S HN -0.179 nan 8.310 nan 0.000 0.397 752 P HA -0.005 nan 4.420 nan 0.000 0.220 752 P C 0.959 178.244 177.300 -0.025 0.000 1.148 752 P CA 1.048 64.121 63.100 -0.044 0.000 0.803 752 P CB 0.105 31.753 31.700 -0.086 0.000 0.782 753 K N -1.229 119.157 120.400 -0.024 0.000 2.314 753 K HA 0.073 4.385 4.320 -0.013 0.000 0.198 753 K C 0.689 177.282 176.600 -0.012 0.000 1.045 753 K CA 0.618 56.895 56.287 -0.016 0.000 0.988 753 K CB 0.200 32.691 32.500 -0.015 0.000 0.783 753 K HN 0.230 nan 8.250 nan 0.000 0.484 754 Q N 0.115 119.904 119.800 -0.019 0.000 2.798 754 Q HA 0.161 4.493 4.340 -0.013 0.000 0.250 754 Q C -2.355 173.629 176.000 -0.027 0.000 1.006 754 Q CA -1.716 54.072 55.803 -0.026 0.000 0.759 754 Q CB 1.549 30.263 28.738 -0.040 0.000 1.201 754 Q HN -0.079 nan 8.270 nan 0.000 0.486 755 P HA -0.208 nan 4.420 nan 0.000 0.218 755 P C 0.591 177.919 177.300 0.047 0.000 1.148 755 P CA 1.412 64.533 63.100 0.035 0.000 0.822 755 P CB 0.230 31.953 31.700 0.038 0.000 0.784 756 D N -1.418 118.995 120.400 0.022 0.000 2.388 756 D HA 0.006 4.638 4.640 -0.013 0.000 0.221 756 D C 1.557 177.854 176.300 -0.004 0.000 1.133 756 D CA -0.291 53.731 54.000 0.037 0.000 0.831 756 D CB -0.645 40.180 40.800 0.041 0.000 0.962 756 D HN 0.007 nan 8.370 nan 0.000 0.502 757 L N -0.014 121.139 121.223 -0.117 0.000 2.043 757 L HA -0.063 4.269 4.340 -0.013 0.000 0.212 757 L C 1.221 177.917 176.870 -0.291 0.000 1.075 757 L CA 1.707 56.374 54.840 -0.289 0.000 0.752 757 L CB -0.630 41.071 42.059 -0.596 0.000 0.891 757 L HN 0.001 nan 8.230 nan 0.000 0.432 758 F N -0.556 119.452 119.950 0.097 0.000 2.660 758 F HA 0.114 4.633 4.527 -0.013 0.000 0.297 758 F C 1.870 177.723 175.800 0.089 0.000 1.132 758 F CA -0.133 57.915 58.000 0.080 0.000 1.372 758 F CB -0.328 38.709 39.000 0.061 0.000 1.003 758 F HN 0.126 nan 8.300 nan 0.000 0.524 759 K N -0.302 120.220 120.400 0.203 0.000 2.097 759 K HA -0.185 4.127 4.320 -0.013 0.000 0.206 759 K C 1.013 177.716 176.600 0.171 0.000 1.049 759 K CA 1.953 58.340 56.287 0.167 0.000 0.933 759 K CB -0.269 32.304 32.500 0.122 0.000 0.717 759 K HN 0.066 nan 8.250 nan 0.000 0.442 760 D N 1.337 121.853 120.400 0.193 0.000 2.117 760 D HA -0.109 4.523 4.640 -0.013 0.000 0.197 760 D C 2.053 178.456 176.300 0.171 0.000 0.987 760 D CA 1.231 55.357 54.000 0.209 0.000 0.829 760 D CB -0.161 40.810 40.800 0.286 0.000 0.961 760 D HN 0.308 nan 8.370 nan 0.000 0.460 761 I N 0.460 121.131 120.570 0.168 0.000 2.179 761 I HA -0.227 3.935 4.170 -0.013 0.000 0.242 761 I C 2.452 178.604 176.117 0.057 0.000 1.088 761 I CA 0.637 61.997 61.300 0.101 0.000 1.357 761 I CB -0.235 37.821 38.000 0.093 0.000 1.051 761 I HN -0.112 nan 8.210 nan 0.000 0.409 762 V N 1.153 121.126 119.914 0.099 0.000 2.287 762 V HA -0.311 3.801 4.120 -0.013 0.000 0.248 762 V C 2.240 178.343 176.094 0.015 0.000 1.053 762 V CA 2.419 64.765 62.300 0.076 0.000 1.027 762 V CB -0.994 30.902 31.823 0.122 0.000 0.646 762 V HN 0.480 nan 8.190 nan 0.000 0.447 763 N N -0.126 118.614 118.700 0.065 0.000 2.069 763 N HA -0.219 4.513 4.740 -0.013 0.000 0.191 763 N C 1.860 177.287 175.510 -0.138 0.000 1.031 763 N CA 1.914 55.030 53.050 0.109 0.000 0.852 763 N CB -0.296 38.311 38.487 0.199 0.000 1.018 763 N HN 0.337 nan 8.380 nan 0.000 0.423 764 M N -0.192 119.238 119.600 -0.284 0.000 2.086 764 M HA -0.115 4.357 4.480 -0.013 0.000 0.261 764 M C 1.465 177.495 176.300 -0.450 0.000 1.067 764 M CA 1.329 56.224 55.300 -0.674 0.000 1.116 764 M CB -0.692 31.776 32.600 -0.220 0.000 1.348 764 M HN 0.213 nan 8.290 nan 0.000 0.407 765 L N 0.774 121.821 121.223 -0.294 0.000 2.042 765 L HA -0.224 4.108 4.340 -0.013 0.000 0.210 765 L C 2.483 179.009 176.870 -0.573 0.000 1.076 765 L CA 1.713 56.302 54.840 -0.419 0.000 0.749 765 L CB -1.167 40.710 42.059 -0.304 0.000 0.893 765 L HN 0.357 nan 8.230 nan 0.000 0.432 766 M N -1.980 117.350 119.600 -0.449 0.000 2.288 766 M HA -0.077 4.395 4.480 -0.013 0.000 0.266 766 M C 1.809 177.691 176.300 -0.696 0.000 1.072 766 M CA 1.431 56.376 55.300 -0.591 0.000 1.132 766 M CB -0.774 31.402 32.600 -0.707 0.000 1.386 766 M HN 0.354 nan 8.290 nan 0.000 0.432 767 H N -1.995 116.972 119.070 -0.173 0.000 3.091 767 H HA 0.189 4.737 4.556 -0.013 0.000 0.249 767 H C 0.058 175.414 175.328 0.047 0.000 0.985 767 H CA 0.575 56.596 56.048 -0.046 0.000 1.177 767 H CB 0.342 30.141 29.762 0.061 0.000 1.456 767 H HN 0.566 nan 8.280 nan 0.000 0.467 768 H N -1.211 117.914 119.070 0.091 0.000 2.823 768 H HA 0.291 4.839 4.556 -0.013 0.000 0.222 768 H C -1.281 174.068 175.328 0.035 0.000 1.414 768 H CA -0.620 55.468 56.048 0.067 0.000 1.289 768 H CB 0.034 29.837 29.762 0.068 0.000 1.970 768 H HN -0.128 nan 8.280 nan 0.000 0.517 769 D N 1.392 121.798 120.400 0.009 0.000 2.428 769 D HA 0.160 4.792 4.640 -0.013 0.000 0.221 769 D C 0.896 177.128 176.300 -0.113 0.000 1.123 769 D CA -0.508 53.474 54.000 -0.030 0.000 0.869 769 D CB 0.779 41.544 40.800 -0.059 0.000 1.032 769 D HN 0.483 nan 8.370 nan 0.000 0.506 770 R N 2.253 122.594 120.500 -0.265 0.000 2.193 770 R HA -0.065 4.267 4.340 -0.013 0.000 0.229 770 R C 0.576 176.382 176.300 -0.823 0.000 1.110 770 R CA 0.983 56.703 56.100 -0.634 0.000 0.988 770 R CB 0.088 29.773 30.300 -1.024 0.000 0.871 770 R HN 0.416 nan 8.270 nan 0.000 0.458 771 F N 0.104 120.003 119.950 -0.085 0.000 2.654 771 F HA 0.276 4.795 4.527 -0.013 0.000 0.303 771 F C 0.037 175.717 175.800 -0.200 0.000 1.099 771 F CA -0.667 57.275 58.000 -0.098 0.000 1.270 771 F CB 0.270 39.273 39.000 0.005 0.000 1.024 771 F HN -0.254 nan 8.300 nan 0.000 0.548 772 K N -0.307 119.910 120.400 -0.305 0.000 3.148 772 K HA -0.174 4.138 4.320 -0.013 0.000 0.267 772 K C 0.970 177.468 176.600 -0.169 0.000 0.996 772 K CA 0.202 56.140 56.287 -0.581 0.000 0.737 772 K CB -1.866 30.210 32.500 -0.707 0.000 1.308 772 K HN 0.211 nan 8.250 nan 0.000 0.470 773 V N -0.025 119.867 119.914 -0.037 0.000 2.287 773 V HA -0.289 3.823 4.120 -0.013 0.000 0.248 773 V C 1.956 178.203 176.094 0.255 0.000 1.053 773 V CA 2.334 64.691 62.300 0.096 0.000 1.027 773 V CB -0.498 31.386 31.823 0.101 0.000 0.646 773 V HN 0.492 nan 8.190 nan 0.000 0.447 774 F N 0.223 120.172 119.950 -0.001 0.000 2.171 774 F HA -0.195 4.324 4.527 -0.013 0.000 0.300 774 F C 2.525 178.105 175.800 -0.367 0.000 1.090 774 F CA 0.676 58.612 58.000 -0.107 0.000 1.293 774 F CB -0.381 38.566 39.000 -0.087 0.000 1.013 774 F HN 0.196 nan 8.300 nan 0.000 0.486 775 A N -0.513 122.147 122.820 -0.267 0.000 2.019 775 A HA -0.196 4.116 4.320 -0.013 0.000 0.219 775 A C 1.480 179.054 177.584 -0.016 0.000 1.164 775 A CA 1.890 53.692 52.037 -0.391 0.000 0.644 775 A CB -0.456 18.478 19.000 -0.110 0.000 0.805 775 A HN 0.236 nan 8.150 nan 0.000 0.449 776 D N -2.808 117.646 120.400 0.089 0.000 2.369 776 D HA 0.085 4.717 4.640 -0.013 0.000 0.211 776 D C 1.172 177.632 176.300 0.266 0.000 1.077 776 D CA -0.006 54.120 54.000 0.210 0.000 0.842 776 D CB -0.107 40.834 40.800 0.236 0.000 0.947 776 D HN 0.600 nan 8.370 nan 0.000 0.509 777 Y N 2.055 122.427 120.300 0.120 0.000 2.097 777 Y HA -0.204 4.339 4.550 -0.013 0.000 0.282 777 Y C 2.078 178.053 175.900 0.125 0.000 1.152 777 Y CA 1.839 60.019 58.100 0.133 0.000 1.136 777 Y CB 0.190 38.690 38.460 0.067 0.000 0.975 777 Y HN -0.113 nan 8.280 nan 0.000 0.498 778 E N 0.045 120.291 120.200 0.077 0.000 2.038 778 E HA -0.248 4.095 4.350 -0.013 0.000 0.195 778 E C 2.172 178.732 176.600 -0.066 0.000 1.000 778 E CA 1.605 57.983 56.400 -0.037 0.000 0.803 778 E CB -0.191 29.590 29.700 0.135 0.000 0.750 778 E HN 0.632 nan 8.360 nan 0.000 0.448 779 E N -0.205 120.034 120.200 0.064 0.000 2.110 779 E HA -0.210 4.132 4.350 -0.013 0.000 0.193 779 E C 1.926 178.516 176.600 -0.016 0.000 0.988 779 E CA 0.812 57.274 56.400 0.103 0.000 0.804 779 E CB -0.136 29.716 29.700 0.254 0.000 0.745 779 E HN 0.264 nan 8.360 nan 0.000 0.458 780 Y N 1.211 121.317 120.300 -0.325 0.000 2.114 780 Y HA -0.226 4.316 4.550 -0.013 0.000 0.284 780 Y C 2.154 177.661 175.900 -0.655 0.000 1.143 780 Y CA 1.044 58.635 58.100 -0.848 0.000 1.135 780 Y CB -0.533 37.483 38.460 -0.740 0.000 0.980 780 Y HN -0.203 nan 8.280 nan 0.000 0.499 781 V N 0.392 119.942 119.914 -0.608 0.000 2.343 781 V HA -0.294 3.818 4.120 -0.013 0.000 0.247 781 V C 2.351 178.213 176.094 -0.387 0.000 1.051 781 V CA 2.270 64.231 62.300 -0.565 0.000 1.036 781 V CB -0.683 30.839 31.823 -0.502 0.000 0.654 781 V HN 0.205 nan 8.190 nan 0.000 0.451 782 K N -0.441 119.795 120.400 -0.272 0.000 2.026 782 K HA -0.189 4.123 4.320 -0.013 0.000 0.208 782 K C 2.265 178.772 176.600 -0.156 0.000 1.048 782 K CA 1.908 58.102 56.287 -0.155 0.000 0.929 782 K CB -0.950 31.508 32.500 -0.071 0.000 0.713 782 K HN 0.527 nan 8.250 nan 0.000 0.439 783 C N 0.806 119.988 119.300 -0.196 0.000 2.429 783 C HA -0.086 4.366 4.460 -0.013 0.000 0.277 783 C C 2.488 177.301 174.990 -0.295 0.000 1.262 783 C CA 0.749 59.681 59.018 -0.144 0.000 1.733 783 C CB -0.743 26.934 27.740 -0.105 0.000 2.010 783 C HN 0.484 nan 8.230 nan 0.000 0.483 784 Q N 0.447 119.936 119.800 -0.518 0.000 2.170 784 Q HA -0.178 4.154 4.340 -0.013 0.000 0.203 784 Q C 1.998 177.805 176.000 -0.322 0.000 0.976 784 Q CA 1.652 57.112 55.803 -0.573 0.000 0.858 784 Q CB -0.410 27.749 28.738 -0.965 0.000 0.907 784 Q HN 0.760 nan 8.270 nan 0.000 0.433 785 E N 0.207 120.274 120.200 -0.222 0.000 2.077 785 E HA -0.142 4.200 4.350 -0.013 0.000 0.193 785 E C 2.084 178.640 176.600 -0.074 0.000 0.989 785 E CA 0.590 56.920 56.400 -0.117 0.000 0.800 785 E CB -0.038 29.613 29.700 -0.082 0.000 0.746 785 E HN 0.272 nan 8.360 nan 0.000 0.452 786 R N 0.482 120.946 120.500 -0.061 0.000 2.120 786 R HA -0.090 4.242 4.340 -0.013 0.000 0.234 786 R C 2.419 178.722 176.300 0.006 0.000 1.123 786 R CA 0.896 57.026 56.100 0.049 0.000 0.975 786 R CB -0.324 30.079 30.300 0.172 0.000 0.866 786 R HN 0.071 nan 8.270 nan 0.000 0.446 787 V N 0.632 120.348 119.914 -0.330 0.000 2.295 787 V HA -0.241 3.871 4.120 -0.013 0.000 0.246 787 V C 2.204 178.273 176.094 -0.043 0.000 1.049 787 V CA 1.999 64.005 62.300 -0.490 0.000 1.024 787 V CB -0.403 31.011 31.823 -0.681 0.000 0.648 787 V HN 0.282 nan 8.190 nan 0.000 0.447 788 S N 0.143 115.793 115.700 -0.084 0.000 2.382 788 S HA -0.183 4.279 4.470 -0.013 0.000 0.228 788 S C 2.214 176.864 174.600 0.084 0.000 1.027 788 S CA 1.393 59.580 58.200 -0.022 0.000 0.991 788 S CB -0.526 62.635 63.200 -0.065 0.000 0.823 788 S HN 0.653 nan 8.310 nan 0.000 0.469 789 A N 1.522 124.394 122.820 0.088 0.000 1.883 789 A HA -0.040 4.272 4.320 -0.013 0.000 0.217 789 A C 2.106 179.801 177.584 0.184 0.000 1.186 789 A CA 1.200 53.312 52.037 0.124 0.000 0.624 789 A CB -0.789 18.276 19.000 0.108 0.000 0.822 789 A HN 0.458 nan 8.150 nan 0.000 0.444 790 L N -2.084 119.307 121.223 0.280 0.000 2.093 790 L HA -0.159 4.173 4.340 -0.013 0.000 0.208 790 L C 2.476 179.615 176.870 0.447 0.000 1.085 790 L CA 1.808 56.889 54.840 0.402 0.000 0.755 790 L CB -0.409 42.003 42.059 0.588 0.000 0.904 790 L HN 0.615 nan 8.230 nan 0.000 0.435 791 Y N 0.891 121.311 120.300 0.200 0.000 2.352 791 Y HA -0.240 4.303 4.550 -0.012 0.000 0.292 791 Y C 2.392 178.223 175.900 -0.114 0.000 1.136 791 Y CA 1.476 59.451 58.100 -0.210 0.000 1.227 791 Y CB -0.029 38.083 38.460 -0.581 0.000 0.991 791 Y HN 0.058 nan 8.280 nan 0.000 0.545 792 K N -0.090 120.350 120.400 0.067 0.000 2.360 792 K HA -0.144 4.168 4.320 -0.013 0.000 0.201 792 K C 0.344 176.930 176.600 -0.023 0.000 1.046 792 K CA 0.821 57.129 56.287 0.035 0.000 0.945 792 K CB -0.099 32.463 32.500 0.102 0.000 0.750 792 K HN 0.049 nan 8.250 nan 0.000 0.464 793 N N 0.329 119.030 118.700 0.001 0.000 2.898 793 N HA 0.139 4.871 4.740 -0.013 0.000 0.245 793 N C -2.447 173.066 175.510 0.005 0.000 1.185 793 N CA -2.245 50.811 53.050 0.011 0.000 0.879 793 N CB 1.199 39.724 38.487 0.062 0.000 1.157 793 N HN -0.197 nan 8.380 nan 0.000 0.503 794 P HA -0.158 nan 4.420 nan 0.000 0.216 794 P C 1.377 178.690 177.300 0.022 0.000 1.153 794 P CA 1.066 64.098 63.100 -0.114 0.000 0.858 794 P CB 0.413 32.014 31.700 -0.164 0.000 0.789 795 R N 0.049 120.560 120.500 0.018 0.000 2.081 795 R HA -0.145 4.187 4.340 -0.013 0.000 0.235 795 R C 1.928 178.267 176.300 0.066 0.000 1.131 795 R CA 1.375 57.496 56.100 0.035 0.000 0.960 795 R CB -0.338 29.974 30.300 0.020 0.000 0.856 795 R HN 0.073 nan 8.270 nan 0.000 0.436 796 E N -0.026 120.223 120.200 0.082 0.000 2.152 796 E HA -0.210 4.132 4.350 -0.013 0.000 0.192 796 E C 1.586 178.260 176.600 0.123 0.000 0.983 796 E CA 0.603 57.055 56.400 0.087 0.000 0.818 796 E CB -0.450 29.300 29.700 0.084 0.000 0.758 796 E HN 0.502 nan 8.360 nan 0.000 0.467 797 W N 2.205 123.502 121.300 -0.005 0.000 2.333 797 W HA -0.212 4.439 4.660 -0.014 0.000 0.316 797 W C 1.633 178.155 176.519 0.006 0.000 1.215 797 W CA 2.250 59.605 57.345 0.017 0.000 1.278 797 W CB -0.430 29.010 29.460 -0.033 0.000 1.154 797 W HN 0.043 nan 8.180 nan 0.000 0.486 798 T N 1.048 115.726 114.554 0.206 0.000 2.821 798 T HA -0.162 4.180 4.350 -0.013 0.000 0.267 798 T C 1.847 176.550 174.700 0.004 0.000 1.046 798 T CA 1.636 63.791 62.100 0.092 0.000 1.139 798 T CB -0.324 68.588 68.868 0.073 0.000 0.871 798 T HN 0.175 nan 8.240 nan 0.000 0.454 799 R N 0.458 120.967 120.500 0.016 0.000 2.096 799 R HA 0.069 4.401 4.340 -0.013 0.000 0.235 799 R C 2.512 178.796 176.300 -0.027 0.000 1.127 799 R CA 1.278 57.386 56.100 0.014 0.000 0.968 799 R CB -0.345 29.971 30.300 0.026 0.000 0.861 799 R HN 0.365 nan 8.270 nan 0.000 0.440 800 M N 0.467 120.012 119.600 -0.091 0.000 2.175 800 M HA -0.139 4.333 4.480 -0.013 0.000 0.264 800 M C 1.937 178.129 176.300 -0.181 0.000 1.063 800 M CA 1.363 56.569 55.300 -0.157 0.000 1.119 800 M CB 0.168 32.617 32.600 -0.251 0.000 1.377 800 M HN -0.016 nan 8.290 nan 0.000 0.415 801 V N 1.026 120.809 119.914 -0.219 0.000 2.255 801 V HA -0.329 3.783 4.120 -0.013 0.000 0.247 801 V C 2.225 178.288 176.094 -0.053 0.000 1.051 801 V CA 2.175 64.379 62.300 -0.160 0.000 1.018 801 V CB -0.658 31.093 31.823 -0.120 0.000 0.641 801 V HN 0.516 nan 8.190 nan 0.000 0.445 802 I N -0.500 120.066 120.570 -0.008 0.000 2.208 802 I HA -0.287 3.875 4.170 -0.013 0.000 0.245 802 I C 2.695 178.856 176.117 0.073 0.000 1.097 802 I CA 1.671 63.017 61.300 0.078 0.000 1.363 802 I CB -0.443 37.657 38.000 0.166 0.000 1.051 802 I HN 0.236 nan 8.210 nan 0.000 0.413 803 R N 0.420 120.940 120.500 0.033 0.000 2.120 803 R HA -0.112 4.220 4.340 -0.013 0.000 0.234 803 R C 2.040 178.368 176.300 0.048 0.000 1.123 803 R CA 1.218 57.339 56.100 0.034 0.000 0.975 803 R CB -0.461 29.844 30.300 0.009 0.000 0.866 803 R HN 0.540 nan 8.270 nan 0.000 0.446 804 N N 0.737 119.452 118.700 0.025 0.000 2.109 804 N HA -0.089 4.643 4.740 -0.013 0.000 0.188 804 N C 1.979 177.540 175.510 0.086 0.000 1.034 804 N CA 1.149 54.234 53.050 0.059 0.000 0.846 804 N CB -0.060 38.411 38.487 -0.028 0.000 1.010 804 N HN 0.115 nan 8.380 nan 0.000 0.425 805 I N 1.675 122.281 120.570 0.061 0.000 2.208 805 I HA -0.256 3.906 4.170 -0.013 0.000 0.245 805 I C 2.461 178.625 176.117 0.078 0.000 1.097 805 I CA 0.984 62.328 61.300 0.072 0.000 1.363 805 I CB -0.344 37.693 38.000 0.061 0.000 1.051 805 I HN 0.106 nan 8.210 nan 0.000 0.413 806 A N 0.269 123.134 122.820 0.076 0.000 2.070 806 A HA -0.162 4.150 4.320 -0.013 0.000 0.220 806 A C 2.062 179.685 177.584 0.064 0.000 1.159 806 A CA 2.051 54.125 52.037 0.062 0.000 0.656 806 A CB -0.849 18.190 19.000 0.065 0.000 0.800 806 A HN 0.543 nan 8.150 nan 0.000 0.453 807 T N -3.001 111.608 114.554 0.092 0.000 3.174 807 T HA 0.198 4.540 4.350 -0.013 0.000 0.269 807 T C 1.115 175.914 174.700 0.166 0.000 1.017 807 T CA 0.601 62.762 62.100 0.102 0.000 0.899 807 T CB -0.158 68.772 68.868 0.103 0.000 1.077 807 T HN 0.470 nan 8.240 nan 0.000 0.552 808 S N 0.123 115.934 115.700 0.185 0.000 2.558 808 S HA 0.238 4.700 4.470 -0.013 0.000 0.217 808 S C 2.226 176.965 174.600 0.231 0.000 0.975 808 S CA 0.300 58.680 58.200 0.301 0.000 0.912 808 S CB -0.648 62.695 63.200 0.237 0.000 0.776 808 S HN 0.525 nan 8.310 nan 0.000 0.526 809 G N 2.763 111.621 108.800 0.097 0.000 2.505 809 G HA2 -0.317 3.635 3.960 -0.013 0.000 0.220 809 G HA3 -0.317 3.635 3.960 -0.013 0.000 0.220 809 G C 1.321 176.184 174.900 -0.062 0.000 1.145 809 G CA 1.116 46.238 45.100 0.036 0.000 0.761 809 G HN 0.621 nan 8.290 nan 0.000 0.571 810 K N -0.180 120.072 120.400 -0.247 0.000 2.218 810 K HA -0.060 4.252 4.320 -0.013 0.000 0.205 810 K C 1.293 177.581 176.600 -0.519 0.000 1.046 810 K CA 0.941 56.931 56.287 -0.495 0.000 0.933 810 K CB -0.281 31.725 32.500 -0.823 0.000 0.728 810 K HN 0.418 nan 8.250 nan 0.000 0.454 811 F N 0.745 120.726 119.950 0.052 0.000 2.645 811 F HA 0.156 4.675 4.527 -0.014 0.000 0.300 811 F C 0.740 176.585 175.800 0.075 0.000 1.115 811 F CA -0.627 57.410 58.000 0.061 0.000 1.355 811 F CB 0.470 39.503 39.000 0.055 0.000 1.026 811 F HN -0.119 nan 8.300 nan 0.000 0.536 812 S N 0.401 116.189 115.700 0.148 0.000 2.528 812 S HA 0.054 4.516 4.470 -0.013 0.000 0.277 812 S C 1.476 176.159 174.600 0.137 0.000 1.297 812 S CA -0.124 58.156 58.200 0.133 0.000 1.052 812 S CB 0.785 64.034 63.200 0.081 0.000 0.917 812 S HN 0.367 nan 8.310 nan 0.000 0.492 813 S N 3.317 119.122 115.700 0.175 0.000 2.507 813 S HA -0.086 4.376 4.470 -0.013 0.000 0.235 813 S C 0.984 175.642 174.600 0.096 0.000 0.988 813 S CA 0.770 59.095 58.200 0.209 0.000 0.944 813 S CB -0.363 63.034 63.200 0.327 0.000 0.762 813 S HN 0.794 nan 8.310 nan 0.000 0.526 814 D N 1.944 122.384 120.400 0.066 0.000 2.117 814 D HA -0.098 4.534 4.640 -0.013 0.000 0.197 814 D C 2.105 178.411 176.300 0.010 0.000 0.987 814 D CA 0.851 54.867 54.000 0.027 0.000 0.829 814 D CB -0.346 40.467 40.800 0.021 0.000 0.961 814 D HN 0.301 nan 8.370 nan 0.000 0.460 815 R N 0.813 121.322 120.500 0.014 0.000 2.073 815 R HA -0.091 4.241 4.340 -0.013 0.000 0.234 815 R C 1.924 178.218 176.300 -0.009 0.000 1.134 815 R CA 1.462 57.556 56.100 -0.009 0.000 0.952 815 R CB -0.837 29.445 30.300 -0.031 0.000 0.850 815 R HN 0.129 nan 8.270 nan 0.000 0.433 816 T N 2.252 116.824 114.554 0.031 0.000 2.635 816 T HA -0.138 4.204 4.350 -0.013 0.000 0.267 816 T C 1.934 176.641 174.700 0.012 0.000 1.040 816 T CA 1.467 63.606 62.100 0.064 0.000 1.156 816 T CB -0.138 68.850 68.868 0.201 0.000 0.863 816 T HN 0.111 nan 8.240 nan 0.000 0.430 817 I N 1.619 122.119 120.570 -0.116 0.000 2.315 817 I HA -0.076 4.086 4.170 -0.013 0.000 0.248 817 I C 2.934 179.008 176.117 -0.070 0.000 1.117 817 I CA 0.933 62.124 61.300 -0.182 0.000 1.404 817 I CB -1.631 36.258 38.000 -0.184 0.000 1.071 817 I HN 0.199 nan 8.210 nan 0.000 0.419 818 A N 0.245 123.041 122.820 -0.039 0.000 1.940 818 A HA -0.244 4.068 4.320 -0.013 0.000 0.219 818 A C 2.254 179.797 177.584 -0.068 0.000 1.176 818 A CA 1.518 53.539 52.037 -0.027 0.000 0.631 818 A CB -0.553 18.436 19.000 -0.018 0.000 0.814 818 A HN 0.517 nan 8.150 nan 0.000 0.446 819 Q N -1.861 117.881 119.800 -0.098 0.000 2.049 819 Q HA -0.158 4.174 4.340 -0.013 0.000 0.198 819 Q C 1.959 177.788 176.000 -0.283 0.000 0.971 819 Q CA 1.609 57.314 55.803 -0.163 0.000 0.833 819 Q CB -0.329 28.307 28.738 -0.171 0.000 0.896 819 Q HN 0.810 nan 8.270 nan 0.000 0.434 820 Y N 0.729 120.742 120.300 -0.479 0.000 2.114 820 Y HA -0.323 4.218 4.550 -0.014 0.000 0.282 820 Y C 2.504 177.835 175.900 -0.949 0.000 1.165 820 Y CA 1.384 58.941 58.100 -0.906 0.000 1.148 820 Y CB -0.481 37.122 38.460 -1.427 0.000 0.972 820 Y HN 0.173 nan 8.280 nan 0.000 0.504 821 A N 0.209 122.805 122.820 -0.373 0.000 1.883 821 A HA -0.228 4.084 4.320 -0.013 0.000 0.217 821 A C 2.244 179.840 177.584 0.021 0.000 1.186 821 A CA 2.076 54.138 52.037 0.042 0.000 0.624 821 A CB -0.564 18.536 19.000 0.168 0.000 0.822 821 A HN 0.440 nan 8.150 nan 0.000 0.444 822 R N -0.764 119.709 120.500 -0.046 0.000 2.075 822 R HA -0.020 4.312 4.340 -0.013 0.000 0.226 822 R C 1.820 178.095 176.300 -0.042 0.000 1.114 822 R CA 1.453 57.539 56.100 -0.025 0.000 0.972 822 R CB -0.171 30.110 30.300 -0.031 0.000 0.869 822 R HN 0.653 nan 8.270 nan 0.000 0.437 823 E N -0.481 119.654 120.200 -0.110 0.000 2.415 823 E HA 0.095 4.437 4.350 -0.013 0.000 0.197 823 E C 1.411 177.960 176.600 -0.086 0.000 1.007 823 E CA 0.422 56.761 56.400 -0.101 0.000 0.890 823 E CB 0.548 30.162 29.700 -0.144 0.000 0.891 823 E HN 0.289 nan 8.360 nan 0.000 0.496 824 I N -1.161 119.322 120.570 -0.145 0.000 3.739 824 I HA 0.021 4.183 4.170 -0.013 0.000 0.272 824 I C 1.300 177.547 176.117 0.216 0.000 1.167 824 I CA -0.080 61.193 61.300 -0.045 0.000 1.386 824 I CB 0.236 38.064 38.000 -0.287 0.000 1.490 824 I HN 0.108 nan 8.210 nan 0.000 0.452 825 W N 1.564 122.953 121.300 0.149 0.000 2.658 825 W HA 0.320 4.972 4.660 -0.013 0.000 0.263 825 W C 1.476 178.030 176.519 0.057 0.000 1.274 825 W CA 0.801 58.215 57.345 0.116 0.000 1.343 825 W CB -1.118 28.399 29.460 0.095 0.000 1.106 825 W HN 0.319 nan 8.180 nan 0.000 0.615 826 G N 1.259 110.194 108.800 0.225 0.000 2.272 826 G HA2 -0.104 3.848 3.960 -0.013 0.000 0.280 826 G HA3 -0.104 3.848 3.960 -0.013 0.000 0.280 826 G C -0.314 174.656 174.900 0.117 0.000 1.067 826 G CA 0.271 45.446 45.100 0.125 0.000 0.902 826 G HN 0.422 nan 8.290 nan 0.000 0.500 827 V N -4.241 115.761 119.914 0.148 0.000 2.962 827 V HA 0.910 5.022 4.120 -0.013 0.000 0.313 827 V C -0.380 175.771 176.094 0.096 0.000 1.099 827 V CA -1.680 60.689 62.300 0.115 0.000 0.971 827 V CB 2.357 34.257 31.823 0.129 0.000 1.028 827 V HN 0.138 nan 8.190 nan 0.000 0.430 828 E N 3.835 124.075 120.200 0.067 0.000 2.174 828 E HA 0.517 4.859 4.350 -0.013 0.000 0.282 828 E C -2.478 174.157 176.600 0.059 0.000 0.992 828 E CA -1.716 54.717 56.400 0.055 0.000 0.803 828 E CB 1.796 31.520 29.700 0.040 0.000 1.090 828 E HN 0.757 nan 8.360 nan 0.000 0.396 829 P HA 0.085 nan 4.420 nan 0.000 0.272 829 P C -0.495 176.833 177.300 0.047 0.000 1.230 829 P CA -0.322 62.811 63.100 0.055 0.000 0.788 829 P CB 0.853 32.581 31.700 0.047 0.000 0.949 830 S N 0.534 116.263 115.700 0.048 0.000 2.619 830 S HA 0.311 4.773 4.470 -0.013 0.000 0.280 830 S C 0.453 175.076 174.600 0.039 0.000 1.150 830 S CA -0.728 57.499 58.200 0.045 0.000 0.978 830 S CB 0.917 64.151 63.200 0.056 0.000 1.041 830 S HN 0.271 nan 8.310 nan 0.000 0.485 831 R N 2.348 122.867 120.500 0.031 0.000 2.317 831 R HA 0.189 4.521 4.340 -0.013 0.000 0.208 831 R C 0.044 176.354 176.300 0.018 0.000 0.914 831 R CA 0.114 56.231 56.100 0.028 0.000 1.060 831 R CB 0.107 30.424 30.300 0.028 0.000 1.015 831 R HN 0.693 nan 8.270 nan 0.000 0.498 832 Q N 0.988 120.797 119.800 0.016 0.000 2.332 832 Q HA 0.106 4.438 4.340 -0.013 0.000 0.263 832 Q C -0.264 175.728 176.000 -0.014 0.000 0.979 832 Q CA 0.028 55.833 55.803 0.004 0.000 0.885 832 Q CB 0.920 29.665 28.738 0.011 0.000 1.218 832 Q HN -0.203 nan 8.270 nan 0.000 0.405 833 R N 1.493 121.977 120.500 -0.028 0.000 2.590 833 R HA 0.160 4.492 4.340 -0.013 0.000 0.274 833 R C -0.437 175.820 176.300 -0.072 0.000 1.061 833 R CA 0.155 56.226 56.100 -0.049 0.000 1.081 833 R CB 0.313 30.584 30.300 -0.049 0.000 0.984 833 R HN 0.482 nan 8.270 nan 0.000 0.448 834 L N 5.588 126.749 121.223 -0.103 0.000 2.375 834 L HA 0.392 4.724 4.340 -0.013 0.000 0.271 834 L C -1.703 175.106 176.870 -0.101 0.000 1.107 834 L CA -2.113 52.637 54.840 -0.150 0.000 0.806 834 L CB 1.098 43.028 42.059 -0.216 0.000 1.146 834 L HN 0.477 nan 8.230 nan 0.000 0.447 835 P HA 0.055 nan 4.420 nan 0.000 0.268 835 P C -0.501 176.769 177.300 -0.050 0.000 1.204 835 P CA -0.228 62.838 63.100 -0.057 0.000 0.768 835 P CB 0.772 32.446 31.700 -0.043 0.000 0.842 836 A N 0.000 122.799 122.820 -0.036 0.000 2.254 836 A HA 0.000 4.312 4.320 -0.013 0.000 0.244 836 A CA 0.000 52.023 52.037 -0.024 0.000 0.836 836 A CB 0.000 18.990 19.000 -0.016 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486