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 2qn2_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 FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSKFGXXXX 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 0.000 175.982 176.000 -0.030 0.000 1.003 12 Q CA 0.000 55.772 55.803 -0.051 0.000 1.022 12 Q CB 0.000 28.702 28.738 -0.061 0.000 1.108 13 I N -0.525 120.033 120.570 -0.020 0.000 2.525 13 I HA 0.511 4.670 4.170 -0.019 0.000 0.301 13 I C 0.984 177.101 176.117 -0.000 0.000 0.992 13 I CA -0.223 61.073 61.300 -0.006 0.000 1.162 13 I CB 1.954 39.954 38.000 0.001 0.000 1.332 13 I HN 0.193 nan 8.210 nan 0.000 0.458 14 S N 3.246 118.951 115.700 0.009 0.000 2.370 14 S HA -0.159 4.300 4.470 -0.019 0.000 0.226 14 S C 1.728 176.337 174.600 0.015 0.000 1.033 14 S CA 2.096 60.303 58.200 0.012 0.000 1.011 14 S CB -0.502 62.710 63.200 0.021 0.000 0.852 14 S HN 0.755 nan 8.310 nan 0.000 0.457 15 V N -0.002 119.927 119.914 0.026 0.000 3.078 15 V HA 0.080 4.189 4.120 -0.019 0.000 0.265 15 V C 1.898 178.005 176.094 0.022 0.000 1.122 15 V CA 1.296 63.614 62.300 0.031 0.000 1.141 15 V CB -0.964 30.885 31.823 0.043 0.000 0.735 15 V HN 0.373 nan 8.190 nan 0.000 0.498 16 R N 1.254 121.758 120.500 0.007 0.000 2.297 16 R HA 0.441 4.770 4.340 -0.019 0.000 0.197 16 R C 1.148 177.437 176.300 -0.018 0.000 0.943 16 R CA 0.607 56.704 56.100 -0.004 0.000 1.038 16 R CB 0.069 30.364 30.300 -0.009 0.000 0.957 16 R HN 0.752 nan 8.270 nan 0.000 0.484 17 G N 0.710 109.498 108.800 -0.019 0.000 2.631 17 G HA2 -0.191 3.758 3.960 -0.019 0.000 0.504 17 G HA3 -0.191 3.758 3.960 -0.019 0.000 0.504 17 G C -1.059 173.823 174.900 -0.030 0.000 1.306 17 G CA -1.107 43.974 45.100 -0.033 0.000 0.897 17 G HN -0.034 nan 8.290 nan 0.000 0.520 18 L N 0.838 122.040 121.223 -0.035 0.000 2.360 18 L HA 0.551 4.880 4.340 -0.019 0.000 0.276 18 L C 1.361 178.213 176.870 -0.030 0.000 1.121 18 L CA 0.697 55.520 54.840 -0.029 0.000 0.845 18 L CB 0.663 42.705 42.059 -0.027 0.000 1.143 18 L HN 1.384 nan 8.230 nan 0.000 0.452 19 A N 3.584 126.389 122.820 -0.025 0.000 3.016 19 A HA 0.529 4.838 4.320 -0.019 0.000 0.303 19 A C 0.848 178.423 177.584 -0.014 0.000 1.507 19 A CA -0.268 51.756 52.037 -0.021 0.000 1.196 19 A CB -0.421 18.564 19.000 -0.024 0.000 1.169 19 A HN 0.805 nan 8.150 nan 0.000 0.544 20 G N 0.858 109.651 108.800 -0.012 0.000 3.058 20 G HA2 0.422 4.371 3.960 -0.019 0.000 0.316 20 G HA3 0.422 4.371 3.960 -0.019 0.000 0.316 20 G C 0.867 175.767 174.900 0.001 0.000 0.951 20 G CA 0.242 45.338 45.100 -0.006 0.000 1.535 20 G HN 0.865 nan 8.290 nan 0.000 0.500 21 V N 1.460 121.376 119.914 0.003 0.000 0.638 21 V HA -0.483 3.626 4.120 -0.019 0.000 0.093 21 V C 2.431 178.533 176.094 0.013 0.000 1.711 21 V CA 2.877 65.182 62.300 0.008 0.000 3.334 21 V CB -1.237 30.590 31.823 0.007 0.000 0.656 21 V HN 0.708 nan 8.190 nan 0.000 0.655 22 E N -0.593 119.615 120.200 0.014 0.000 2.107 22 E HA -0.190 4.149 4.350 -0.019 0.000 0.191 22 E C 1.914 178.532 176.600 0.029 0.000 0.982 22 E CA 1.204 57.616 56.400 0.020 0.000 0.809 22 E CB -0.064 29.647 29.700 0.017 0.000 0.756 22 E HN 0.754 nan 8.360 nan 0.000 0.459 23 N N -0.131 118.584 118.700 0.025 0.000 2.171 23 N HA -0.114 4.615 4.740 -0.019 0.000 0.184 23 N C 1.741 177.274 175.510 0.037 0.000 1.021 23 N CA 0.851 53.920 53.050 0.033 0.000 0.854 23 N CB -0.120 38.372 38.487 0.008 0.000 0.994 23 N HN 0.012 nan 8.380 nan 0.000 0.426 24 V N 0.437 120.365 119.914 0.023 0.000 2.490 24 V HA -0.197 3.911 4.120 -0.019 0.000 0.250 24 V C 2.061 178.175 176.094 0.033 0.000 1.061 24 V CA 1.724 64.039 62.300 0.024 0.000 1.064 24 V CB -0.854 30.977 31.823 0.015 0.000 0.670 24 V HN 0.352 nan 8.190 nan 0.000 0.461 25 T N -0.766 113.809 114.554 0.034 0.000 2.770 25 T HA -0.158 4.181 4.350 -0.019 0.000 0.263 25 T C 1.945 176.677 174.700 0.054 0.000 1.039 25 T CA 1.531 63.652 62.100 0.036 0.000 1.142 25 T CB -0.156 68.729 68.868 0.028 0.000 0.868 25 T HN 0.415 nan 8.240 nan 0.000 0.435 26 E N 0.997 121.235 120.200 0.065 0.000 2.110 26 E HA -0.022 4.316 4.350 -0.019 0.000 0.193 26 E C 2.025 178.699 176.600 0.123 0.000 0.988 26 E CA 0.862 57.313 56.400 0.086 0.000 0.804 26 E CB -0.466 29.291 29.700 0.095 0.000 0.745 26 E HN 0.423 nan 8.360 nan 0.000 0.458 27 L N -0.052 121.251 121.223 0.132 0.000 2.027 27 L HA -0.175 4.154 4.340 -0.019 0.000 0.206 27 L C 2.419 179.392 176.870 0.173 0.000 1.074 27 L CA 1.404 56.347 54.840 0.172 0.000 0.745 27 L CB -0.331 41.805 42.059 0.128 0.000 0.898 27 L HN 0.073 nan 8.230 nan 0.000 0.433 28 K N 0.469 120.932 120.400 0.106 0.000 2.103 28 K HA -0.230 4.078 4.320 -0.019 0.000 0.207 28 K C 2.110 178.804 176.600 0.156 0.000 1.048 28 K CA 1.816 58.157 56.287 0.090 0.000 0.930 28 K CB -0.043 32.471 32.500 0.024 0.000 0.716 28 K HN 0.328 nan 8.250 nan 0.000 0.444 29 K N 0.130 120.605 120.400 0.124 0.000 2.167 29 K HA -0.025 4.284 4.320 -0.019 0.000 0.203 29 K C 1.555 178.232 176.600 0.129 0.000 1.052 29 K CA 1.253 57.606 56.287 0.110 0.000 0.956 29 K CB 0.012 32.553 32.500 0.067 0.000 0.735 29 K HN -0.009 nan 8.250 nan 0.000 0.451 30 N N 0.178 118.967 118.700 0.148 0.000 2.331 30 N HA -0.108 4.621 4.740 -0.019 0.000 0.180 30 N C 1.527 177.178 175.510 0.235 0.000 1.019 30 N CA 0.913 54.045 53.050 0.137 0.000 0.881 30 N CB -0.167 38.409 38.487 0.147 0.000 0.972 30 N HN 0.204 nan 8.380 nan 0.000 0.435 31 F N 2.738 122.777 119.950 0.149 0.000 2.075 31 F HA -0.111 4.405 4.527 -0.018 0.000 0.297 31 F C 2.086 177.982 175.800 0.161 0.000 1.113 31 F CA 1.343 59.447 58.000 0.173 0.000 1.218 31 F CB -0.206 38.870 39.000 0.127 0.000 0.984 31 F HN -0.023 nan 8.300 nan 0.000 0.472 32 N N 0.365 119.274 118.700 0.347 0.000 2.223 32 N HA -0.193 4.536 4.740 -0.019 0.000 0.185 32 N C 2.046 177.619 175.510 0.106 0.000 1.016 32 N CA 1.110 54.286 53.050 0.210 0.000 0.863 32 N CB -0.518 38.071 38.487 0.170 0.000 0.983 32 N HN 0.380 nan 8.380 nan 0.000 0.429 33 R N 0.262 120.821 120.500 0.099 0.000 2.075 33 R HA -0.083 4.246 4.340 -0.019 0.000 0.232 33 R C 1.771 178.129 176.300 0.096 0.000 1.126 33 R CA 1.359 57.535 56.100 0.127 0.000 0.963 33 R CB -0.135 30.188 30.300 0.039 0.000 0.858 33 R HN 0.387 nan 8.270 nan 0.000 0.435 34 H N -0.386 118.716 119.070 0.054 0.000 2.357 34 H HA -0.113 4.432 4.556 -0.019 0.000 0.301 34 H C 1.911 177.172 175.328 -0.113 0.000 1.082 34 H CA 1.372 57.390 56.048 -0.051 0.000 1.342 34 H CB 0.079 29.775 29.762 -0.111 0.000 1.389 34 H HN 0.109 nan 8.280 nan 0.000 0.511 35 L N 0.025 121.229 121.223 -0.032 0.000 2.042 35 L HA -0.228 4.101 4.340 -0.019 0.000 0.210 35 L C 2.220 179.061 176.870 -0.048 0.000 1.076 35 L CA 1.942 56.734 54.840 -0.079 0.000 0.749 35 L CB -0.365 41.663 42.059 -0.051 0.000 0.893 35 L HN 0.327 nan 8.230 nan 0.000 0.432 36 H N -2.017 116.961 119.070 -0.154 0.000 2.287 36 H HA -0.037 4.507 4.556 -0.019 0.000 0.309 36 H C 1.804 176.923 175.328 -0.349 0.000 1.059 36 H CA 2.068 57.930 56.048 -0.310 0.000 1.357 36 H CB -0.242 29.240 29.762 -0.467 0.000 1.409 36 H HN 0.260 nan 8.280 nan 0.000 0.515 37 F N -0.077 119.873 119.950 -0.001 0.000 2.234 37 F HA -0.029 4.487 4.527 -0.019 0.000 0.296 37 F C 2.593 178.325 175.800 -0.112 0.000 1.089 37 F CA 1.474 59.428 58.000 -0.075 0.000 1.343 37 F CB -0.469 38.521 39.000 -0.018 0.000 1.040 37 F HN 0.200 nan 8.300 nan 0.000 0.498 38 T N -0.058 114.536 114.554 0.067 0.000 2.939 38 T HA 0.065 4.404 4.350 -0.019 0.000 0.254 38 T C 1.971 176.580 174.700 -0.151 0.000 1.041 38 T CA 0.865 62.928 62.100 -0.063 0.000 1.142 38 T CB -0.254 68.544 68.868 -0.117 0.000 0.874 38 T HN 0.123 nan 8.240 nan 0.000 0.452 39 L N 1.089 122.224 121.223 -0.146 0.000 2.513 39 L HA 0.224 4.553 4.340 -0.019 0.000 0.222 39 L C 0.393 177.170 176.870 -0.156 0.000 1.096 39 L CA -0.050 54.692 54.840 -0.164 0.000 0.857 39 L CB -0.045 41.926 42.059 -0.146 0.000 1.026 39 L HN 0.002 nan 8.230 nan 0.000 0.469 40 V N 0.579 120.385 119.914 -0.180 0.000 5.961 40 V HA -0.279 3.830 4.120 -0.019 0.000 0.311 40 V C 0.080 176.062 176.094 -0.187 0.000 0.552 40 V CA 1.163 63.328 62.300 -0.224 0.000 0.641 40 V CB -2.263 29.455 31.823 -0.175 0.000 0.286 40 V HN 0.462 nan 8.190 nan 0.000 0.939 41 K N 0.691 120.989 120.400 -0.171 0.000 2.399 41 K HA 0.828 5.137 4.320 -0.019 0.000 0.260 41 K C -0.530 176.029 176.600 -0.068 0.000 1.049 41 K CA -0.284 55.934 56.287 -0.115 0.000 0.890 41 K CB 2.684 35.116 32.500 -0.114 0.000 1.430 41 K HN 0.483 nan 8.250 nan 0.000 0.459 42 D N -1.374 119.009 120.400 -0.028 0.000 2.652 42 D HA 0.289 4.918 4.640 -0.019 0.000 0.285 42 D C 0.550 176.885 176.300 0.058 0.000 1.173 42 D CA -0.647 53.373 54.000 0.033 0.000 0.981 42 D CB 0.763 41.587 40.800 0.040 0.000 1.440 42 D HN 0.133 nan 8.370 nan 0.000 0.485 43 R N 0.077 120.646 120.500 0.114 0.000 2.159 43 R HA -0.025 4.304 4.340 -0.019 0.000 0.237 43 R C 0.986 177.362 176.300 0.127 0.000 1.131 43 R CA 0.843 57.051 56.100 0.179 0.000 0.982 43 R CB -0.879 29.520 30.300 0.166 0.000 0.868 43 R HN 0.547 nan 8.270 nan 0.000 0.453 44 N N 0.505 119.246 118.700 0.069 0.000 2.409 44 N HA -0.074 4.655 4.740 -0.019 0.000 0.179 44 N C 1.718 177.245 175.510 0.029 0.000 1.032 44 N CA 1.349 54.428 53.050 0.048 0.000 0.898 44 N CB 0.236 38.741 38.487 0.030 0.000 0.971 44 N HN 0.244 nan 8.380 nan 0.000 0.441 45 V N -2.243 117.674 119.914 0.006 0.000 3.455 45 V HA 0.448 4.557 4.120 -0.019 0.000 0.250 45 V C 1.058 177.113 176.094 -0.066 0.000 1.230 45 V CA -0.287 62.000 62.300 -0.022 0.000 1.105 45 V CB -0.728 31.076 31.823 -0.030 0.000 0.850 45 V HN 0.059 nan 8.190 nan 0.000 0.461 46 A N 3.095 125.841 122.820 -0.124 0.000 2.573 46 A HA 0.396 4.705 4.320 -0.019 0.000 0.250 46 A C 0.840 178.220 177.584 -0.340 0.000 1.049 46 A CA 1.073 52.909 52.037 -0.336 0.000 0.767 46 A CB -0.762 17.860 19.000 -0.629 0.000 0.965 46 A HN 0.887 nan 8.150 nan 0.000 0.514 47 T N 1.117 115.516 114.554 -0.258 0.000 2.902 47 T HA 0.516 4.854 4.350 -0.019 0.000 0.280 47 T C -1.813 172.807 174.700 -0.132 0.000 0.992 47 T CA -1.670 60.357 62.100 -0.121 0.000 1.015 47 T CB 0.999 69.843 68.868 -0.040 0.000 1.044 47 T HN 0.278 nan 8.240 nan 0.000 0.520 48 P HA -0.160 nan 4.420 nan 0.000 0.217 48 P C 1.612 179.016 177.300 0.173 0.000 1.148 48 P CA 1.119 64.363 63.100 0.240 0.000 0.834 48 P CB 0.019 31.819 31.700 0.168 0.000 0.783 49 R N 0.086 120.630 120.500 0.072 0.000 2.073 49 R HA -0.151 4.177 4.340 -0.019 0.000 0.234 49 R C 1.729 178.173 176.300 0.240 0.000 1.134 49 R CA 1.996 58.159 56.100 0.105 0.000 0.952 49 R CB -0.763 29.533 30.300 -0.005 0.000 0.850 49 R HN 0.113 nan 8.270 nan 0.000 0.433 50 D N -0.299 120.154 120.400 0.087 0.000 2.123 50 D HA -0.209 4.420 4.640 -0.019 0.000 0.196 50 D C 1.814 178.140 176.300 0.043 0.000 0.992 50 D CA 1.374 55.393 54.000 0.032 0.000 0.833 50 D CB -0.384 40.297 40.800 -0.198 0.000 0.954 50 D HN 0.321 nan 8.370 nan 0.000 0.455 51 Y N 0.234 120.636 120.300 0.170 0.000 2.181 51 Y HA -0.222 4.317 4.550 -0.018 0.000 0.288 51 Y C 2.365 178.393 175.900 0.213 0.000 1.146 51 Y CA 0.347 58.591 58.100 0.239 0.000 1.164 51 Y CB -1.213 37.437 38.460 0.318 0.000 0.982 51 Y HN 0.082 nan 8.280 nan 0.000 0.515 52 Y N -0.404 120.019 120.300 0.204 0.000 2.081 52 Y HA -0.320 4.219 4.550 -0.019 0.000 0.280 52 Y C 2.057 177.906 175.900 -0.085 0.000 1.163 52 Y CA 1.473 59.582 58.100 0.015 0.000 1.135 52 Y CB -1.153 37.204 38.460 -0.172 0.000 0.970 52 Y HN 0.058 nan 8.280 nan 0.000 0.498 53 F N 0.077 119.845 119.950 -0.303 0.000 2.171 53 F HA -0.167 4.349 4.527 -0.018 0.000 0.300 53 F C 2.642 178.268 175.800 -0.289 0.000 1.090 53 F CA 1.246 58.998 58.000 -0.414 0.000 1.293 53 F CB -0.843 38.092 39.000 -0.109 0.000 1.013 53 F HN 0.211 nan 8.300 nan 0.000 0.486 54 A N -0.007 122.750 122.820 -0.104 0.000 1.883 54 A HA -0.207 4.102 4.320 -0.019 0.000 0.217 54 A C 2.076 179.525 177.584 -0.226 0.000 1.186 54 A CA 1.663 53.498 52.037 -0.336 0.000 0.624 54 A CB -1.131 17.278 19.000 -0.985 0.000 0.822 54 A HN 0.326 nan 8.150 nan 0.000 0.444 55 L N -0.202 121.006 121.223 -0.024 0.000 1.989 55 L HA -0.149 4.180 4.340 -0.019 0.000 0.211 55 L C 2.808 179.639 176.870 -0.065 0.000 1.071 55 L CA 2.340 57.281 54.840 0.169 0.000 0.749 55 L CB -0.889 41.324 42.059 0.257 0.000 0.890 55 L HN 0.391 nan 8.230 nan 0.000 0.431 56 A N -1.322 121.262 122.820 -0.393 0.000 1.873 56 A HA -0.319 3.990 4.320 -0.019 0.000 0.218 56 A C 2.153 179.352 177.584 -0.642 0.000 1.193 56 A CA 2.218 53.872 52.037 -0.639 0.000 0.629 56 A CB -1.196 17.076 19.000 -1.212 0.000 0.826 56 A HN 0.693 nan 8.150 nan 0.000 0.447 57 H N -0.895 117.855 119.070 -0.535 0.000 2.387 57 H HA -0.058 4.486 4.556 -0.019 0.000 0.299 57 H C 2.354 177.434 175.328 -0.414 0.000 1.090 57 H CA 1.921 57.590 56.048 -0.632 0.000 1.332 57 H CB -0.191 28.928 29.762 -1.071 0.000 1.386 57 H HN 0.481 nan 8.280 nan 0.000 0.516 58 T N -0.274 114.248 114.554 -0.053 0.000 2.737 58 T HA -0.131 4.208 4.350 -0.019 0.000 0.265 58 T C 2.276 177.129 174.700 0.255 0.000 1.038 58 T CA 1.343 63.577 62.100 0.223 0.000 1.144 58 T CB -0.390 68.669 68.868 0.320 0.000 0.866 58 T HN 0.096 nan 8.240 nan 0.000 0.434 59 V N 1.773 121.815 119.914 0.214 0.000 2.343 59 V HA -0.139 3.969 4.120 -0.019 0.000 0.247 59 V C 2.620 178.892 176.094 0.295 0.000 1.051 59 V CA 1.607 64.082 62.300 0.291 0.000 1.036 59 V CB -0.659 31.330 31.823 0.277 0.000 0.654 59 V HN 0.385 nan 8.190 nan 0.000 0.451 60 R N 0.149 120.765 120.500 0.194 0.000 2.120 60 R HA -0.207 4.122 4.340 -0.019 0.000 0.234 60 R C 1.893 178.290 176.300 0.161 0.000 1.123 60 R CA 1.902 58.122 56.100 0.199 0.000 0.975 60 R CB -0.407 29.861 30.300 -0.054 0.000 0.866 60 R HN 0.476 nan 8.270 nan 0.000 0.446 61 D N 0.021 120.497 120.400 0.127 0.000 2.123 61 D HA -0.171 4.458 4.640 -0.019 0.000 0.196 61 D C 1.801 178.105 176.300 0.008 0.000 0.992 61 D CA 1.193 55.233 54.000 0.068 0.000 0.833 61 D CB -0.419 40.403 40.800 0.037 0.000 0.954 61 D HN 0.441 nan 8.370 nan 0.000 0.455 62 H N -0.097 119.037 119.070 0.107 0.000 2.457 62 H HA 0.004 4.549 4.556 -0.018 0.000 0.294 62 H C 2.356 177.725 175.328 0.070 0.000 1.064 62 H CA 0.424 56.519 56.048 0.078 0.000 1.330 62 H CB 0.081 29.880 29.762 0.062 0.000 1.395 62 H HN 0.196 nan 8.280 nan 0.000 0.541 63 L N 0.668 122.002 121.223 0.185 0.000 2.056 63 L HA -0.144 4.185 4.340 -0.019 0.000 0.207 63 L C 2.854 179.826 176.870 0.170 0.000 1.078 63 L CA 0.931 55.843 54.840 0.119 0.000 0.749 63 L CB -0.289 41.806 42.059 0.060 0.000 0.901 63 L HN 0.155 nan 8.230 nan 0.000 0.433 64 V N -2.313 117.726 119.914 0.209 0.000 2.343 64 V HA -0.105 4.004 4.120 -0.019 0.000 0.247 64 V C 2.320 178.539 176.094 0.208 0.000 1.051 64 V CA 1.875 64.350 62.300 0.291 0.000 1.036 64 V CB -1.660 30.310 31.823 0.246 0.000 0.654 64 V HN 0.385 nan 8.190 nan 0.000 0.451 65 G N 0.534 109.408 108.800 0.124 0.000 2.491 65 G HA2 -0.288 3.661 3.960 -0.019 0.000 0.218 65 G HA3 -0.288 3.661 3.960 -0.019 0.000 0.218 65 G C 1.752 176.702 174.900 0.083 0.000 1.180 65 G CA 1.197 46.344 45.100 0.078 0.000 0.774 65 G HN 0.561 nan 8.290 nan 0.000 0.562 66 R N -1.503 119.056 120.500 0.097 0.000 2.075 66 R HA -0.062 4.267 4.340 -0.019 0.000 0.232 66 R C 2.273 178.658 176.300 0.141 0.000 1.126 66 R CA 1.119 57.265 56.100 0.076 0.000 0.963 66 R CB -0.419 29.908 30.300 0.046 0.000 0.858 66 R HN 0.467 nan 8.270 nan 0.000 0.435 67 W N 1.631 122.914 121.300 -0.029 0.000 2.318 67 W HA -0.139 4.510 4.660 -0.018 0.000 0.313 67 W C 1.748 178.238 176.519 -0.048 0.000 1.221 67 W CA 1.073 58.397 57.345 -0.036 0.000 1.266 67 W CB -0.636 28.821 29.460 -0.006 0.000 1.150 67 W HN -0.009 nan 8.180 nan 0.000 0.496 68 I N 0.868 121.495 120.570 0.096 0.000 2.179 68 I HA -0.339 3.820 4.170 -0.019 0.000 0.242 68 I C 2.732 178.829 176.117 -0.034 0.000 1.088 68 I CA 2.040 63.313 61.300 -0.044 0.000 1.357 68 I CB -0.567 37.413 38.000 -0.034 0.000 1.051 68 I HN -0.031 nan 8.210 nan 0.000 0.409 69 R N 0.001 120.497 120.500 -0.007 0.000 2.148 69 R HA -0.033 4.296 4.340 -0.019 0.000 0.223 69 R C 1.880 178.140 176.300 -0.067 0.000 1.088 69 R CA 1.436 57.521 56.100 -0.026 0.000 0.985 69 R CB -1.190 29.096 30.300 -0.023 0.000 0.880 69 R HN 0.203 nan 8.270 nan 0.000 0.451 70 T N 1.696 116.194 114.554 -0.093 0.000 2.674 70 T HA -0.101 4.238 4.350 -0.019 0.000 0.265 70 T C 1.824 176.258 174.700 -0.445 0.000 1.039 70 T CA 1.267 63.210 62.100 -0.263 0.000 1.150 70 T CB -0.121 68.643 68.868 -0.174 0.000 0.864 70 T HN 0.208 nan 8.240 nan 0.000 0.427 71 Q N 0.856 120.535 119.800 -0.202 0.000 2.170 71 Q HA -0.100 4.228 4.340 -0.019 0.000 0.203 71 Q C 2.344 178.333 176.000 -0.018 0.000 0.976 71 Q CA 1.292 57.041 55.803 -0.089 0.000 0.858 71 Q CB -0.541 28.157 28.738 -0.065 0.000 0.907 71 Q HN 0.518 nan 8.270 nan 0.000 0.433 72 Q N 0.249 120.032 119.800 -0.028 0.000 2.014 72 Q HA -0.232 4.097 4.340 -0.019 0.000 0.207 72 Q C 1.999 178.075 176.000 0.125 0.000 0.993 72 Q CA 2.142 57.978 55.803 0.055 0.000 0.850 72 Q CB -0.501 28.256 28.738 0.031 0.000 0.916 72 Q HN 0.517 nan 8.270 nan 0.000 0.417 73 H N -0.962 118.065 119.070 -0.071 0.000 2.289 73 H HA -0.210 4.335 4.556 -0.019 0.000 0.294 73 H C 1.490 176.872 175.328 0.090 0.000 1.095 73 H CA 2.422 58.442 56.048 -0.047 0.000 1.256 73 H CB -0.544 29.120 29.762 -0.162 0.000 1.359 73 H HN 0.429 nan 8.280 nan 0.000 0.487 74 Y N -1.222 119.098 120.300 0.033 0.000 2.333 74 Y HA -0.186 4.353 4.550 -0.019 0.000 0.290 74 Y C 2.448 178.383 175.900 0.059 0.000 1.144 74 Y CA 0.944 59.037 58.100 -0.012 0.000 1.228 74 Y CB -1.248 37.257 38.460 0.074 0.000 0.985 74 Y HN 0.334 nan 8.280 nan 0.000 0.542 75 Y N 1.256 121.626 120.300 0.117 0.000 2.163 75 Y HA -0.167 4.372 4.550 -0.019 0.000 0.288 75 Y C 2.145 178.060 175.900 0.026 0.000 1.136 75 Y CA 1.533 59.670 58.100 0.062 0.000 1.147 75 Y CB -0.141 38.345 38.460 0.043 0.000 0.987 75 Y HN 0.019 nan 8.280 nan 0.000 0.509 76 E N 0.552 120.773 120.200 0.036 0.000 2.007 76 E HA -0.212 4.127 4.350 -0.019 0.000 0.194 76 E C 2.081 178.627 176.600 -0.091 0.000 0.999 76 E CA 1.562 57.933 56.400 -0.049 0.000 0.811 76 E CB -0.549 29.170 29.700 0.031 0.000 0.762 76 E HN 0.419 nan 8.360 nan 0.000 0.450 77 K N 0.590 120.921 120.400 -0.116 0.000 2.365 77 K HA -0.108 4.201 4.320 -0.019 0.000 0.199 77 K C -0.077 176.477 176.600 -0.077 0.000 1.045 77 K CA 0.609 56.824 56.287 -0.120 0.000 0.962 77 K CB -0.151 32.204 32.500 -0.242 0.000 0.759 77 K HN 0.095 nan 8.250 nan 0.000 0.469 78 D N 0.824 121.184 120.400 -0.066 0.000 2.802 78 D HA -0.108 4.521 4.640 -0.019 0.000 0.229 78 D C -2.440 173.811 176.300 -0.082 0.000 1.203 78 D CA -0.008 53.954 54.000 -0.064 0.000 0.712 78 D CB 0.032 40.787 40.800 -0.075 0.000 0.973 78 D HN 0.156 nan 8.370 nan 0.000 0.407 79 P HA 0.132 nan 4.420 nan 0.000 0.279 79 P C -0.227 176.991 177.300 -0.137 0.000 1.276 79 P CA -0.682 62.356 63.100 -0.104 0.000 0.801 79 P CB 0.617 32.251 31.700 -0.109 0.000 1.127 80 K N 0.846 121.168 120.400 -0.130 0.000 2.448 80 K HA 0.063 4.372 4.320 -0.019 0.000 0.278 80 K C -0.136 176.348 176.600 -0.193 0.000 1.009 80 K CA 0.057 56.257 56.287 -0.145 0.000 0.995 80 K CB 0.202 32.641 32.500 -0.101 0.000 0.917 80 K HN 0.264 nan 8.250 nan 0.000 0.481 81 R N 3.647 124.014 120.500 -0.223 0.000 2.407 81 R HA 0.357 4.686 4.340 -0.019 0.000 0.303 81 R C -0.565 175.438 176.300 -0.494 0.000 0.981 81 R CA -0.555 55.332 56.100 -0.354 0.000 0.905 81 R CB 0.932 31.011 30.300 -0.369 0.000 1.099 81 R HN 0.493 nan 8.270 nan 0.000 0.459 82 I N 4.204 124.439 120.570 -0.557 0.000 2.336 82 I HA 0.226 4.385 4.170 -0.019 0.000 0.292 82 I C -0.611 175.191 176.117 -0.526 0.000 0.991 82 I CA -0.701 60.234 61.300 -0.608 0.000 1.227 82 I CB 0.782 38.317 38.000 -0.775 0.000 1.366 82 I HN 0.540 nan 8.210 nan 0.000 0.466 83 Y N 5.701 125.952 120.300 -0.082 0.000 2.345 83 Y HA 0.299 4.838 4.550 -0.018 0.000 0.331 83 Y C -0.338 175.660 175.900 0.163 0.000 0.959 83 Y CA -0.728 57.447 58.100 0.126 0.000 1.204 83 Y CB 1.279 39.763 38.460 0.040 0.000 1.135 83 Y HN 0.408 nan 8.280 nan 0.000 0.477 84 Y N 4.609 125.094 120.300 0.309 0.000 2.518 84 Y HA 0.484 5.024 4.550 -0.018 0.000 0.344 84 Y C -1.179 174.993 175.900 0.453 0.000 0.982 84 Y CA -0.946 57.346 58.100 0.319 0.000 1.234 84 Y CB 0.275 38.926 38.460 0.319 0.000 1.114 84 Y HN 0.550 nan 8.280 nan 0.000 0.515 85 L N 5.038 126.311 121.223 0.084 0.000 2.265 85 L HA 0.448 4.777 4.340 -0.019 0.000 0.288 85 L C -0.114 176.759 176.870 0.005 0.000 1.058 85 L CA 0.252 55.194 54.840 0.170 0.000 0.809 85 L CB 1.233 43.358 42.059 0.110 0.000 1.179 85 L HN 0.566 nan 8.230 nan 0.000 0.429 86 S N 2.424 118.223 115.700 0.165 0.000 2.546 86 S HA 0.498 4.957 4.470 -0.019 0.000 0.274 86 S C 0.327 175.016 174.600 0.148 0.000 1.121 86 S CA -0.553 57.630 58.200 -0.028 0.000 0.887 86 S CB 1.139 64.071 63.200 -0.447 0.000 1.094 86 S HN 0.507 nan 8.310 nan 0.000 0.474 87 L N 2.606 123.944 121.223 0.193 0.000 2.554 87 L HA 0.408 4.737 4.340 -0.019 0.000 0.226 87 L C 0.308 177.369 176.870 0.319 0.000 1.137 87 L CA 0.970 55.993 54.840 0.304 0.000 0.863 87 L CB -0.008 42.243 42.059 0.319 0.000 0.985 87 L HN 0.643 nan 8.230 nan 0.000 0.451 88 E N -1.228 119.026 120.200 0.089 0.000 2.275 88 E HA 0.382 4.721 4.350 -0.019 0.000 0.270 88 E C -1.393 175.079 176.600 -0.212 0.000 0.882 88 E CA -0.458 55.983 56.400 0.069 0.000 0.758 88 E CB 1.814 31.529 29.700 0.026 0.000 1.195 88 E HN -0.159 nan 8.360 nan 0.000 0.419 89 F N 2.185 122.240 119.950 0.175 0.000 2.771 89 F HA 0.171 4.686 4.527 -0.019 0.000 0.365 89 F C -0.808 175.072 175.800 0.132 0.000 1.169 89 F CA -0.770 57.321 58.000 0.152 0.000 1.093 89 F CB 0.873 39.955 39.000 0.136 0.000 1.363 89 F HN 0.486 nan 8.300 nan 0.000 0.496 90 Y N 5.069 125.438 120.300 0.116 0.000 2.632 90 Y HA 0.203 4.742 4.550 -0.018 0.000 0.336 90 Y C 0.994 176.908 175.900 0.024 0.000 1.237 90 Y CA -0.906 57.212 58.100 0.031 0.000 1.595 90 Y CB 0.346 38.808 38.460 0.002 0.000 1.508 90 Y HN 0.542 nan 8.280 nan 0.000 0.480 91 M N 1.637 121.368 119.600 0.219 0.000 2.334 91 M HA 0.111 4.579 4.480 -0.019 0.000 0.266 91 M C 1.603 177.886 176.300 -0.029 0.000 1.082 91 M CA 1.061 56.400 55.300 0.064 0.000 1.141 91 M CB -1.151 31.457 32.600 0.013 0.000 1.380 91 M HN 0.720 nan 8.290 nan 0.000 0.440 92 G N 1.285 110.083 108.800 -0.003 0.000 2.552 92 G HA2 -0.283 3.666 3.960 -0.019 0.000 0.265 92 G HA3 -0.283 3.666 3.960 -0.019 0.000 0.265 92 G C -0.187 174.671 174.900 -0.070 0.000 1.234 92 G CA -0.203 44.855 45.100 -0.070 0.000 0.944 92 G HN 0.435 nan 8.290 nan 0.000 0.568 93 R N -0.649 119.790 120.500 -0.101 0.000 2.560 93 R HA 0.597 4.926 4.340 -0.019 0.000 0.270 93 R C 0.997 177.195 176.300 -0.170 0.000 1.074 93 R CA 0.308 56.360 56.100 -0.080 0.000 1.140 93 R CB 0.809 31.068 30.300 -0.069 0.000 1.073 93 R HN 0.522 nan 8.270 nan 0.000 0.527 94 T N 0.983 115.405 114.554 -0.220 0.000 2.959 94 T HA 0.008 4.346 4.350 -0.019 0.000 0.254 94 T C 1.286 175.663 174.700 -0.538 0.000 1.003 94 T CA -0.185 61.586 62.100 -0.550 0.000 0.950 94 T CB 0.196 68.380 68.868 -1.140 0.000 1.090 94 T HN 0.287 nan 8.240 nan 0.000 0.503 95 L N 1.820 122.968 121.223 -0.125 0.000 1.988 95 L HA 0.097 4.425 4.340 -0.019 0.000 0.207 95 L C 2.467 179.332 176.870 -0.008 0.000 1.071 95 L CA 1.966 56.867 54.840 0.101 0.000 0.744 95 L CB -0.655 41.636 42.059 0.386 0.000 0.893 95 L HN 0.134 nan 8.230 nan 0.000 0.433 96 Q N -0.695 119.091 119.800 -0.022 0.000 2.084 96 Q HA -0.250 4.079 4.340 -0.019 0.000 0.202 96 Q C 2.204 178.146 176.000 -0.097 0.000 0.978 96 Q CA 1.783 57.559 55.803 -0.045 0.000 0.844 96 Q CB -0.283 28.423 28.738 -0.053 0.000 0.898 96 Q HN 0.660 nan 8.270 nan 0.000 0.426 97 N N -0.877 117.728 118.700 -0.158 0.000 2.149 97 N HA -0.144 4.585 4.740 -0.019 0.000 0.188 97 N C 1.349 176.759 175.510 -0.166 0.000 1.019 97 N CA 1.785 54.728 53.050 -0.178 0.000 0.857 97 N CB 0.082 38.428 38.487 -0.234 0.000 0.997 97 N HN 0.222 nan 8.380 nan 0.000 0.426 98 T N 1.269 115.694 114.554 -0.215 0.000 2.737 98 T HA -0.041 4.298 4.350 -0.019 0.000 0.265 98 T C 2.118 176.762 174.700 -0.094 0.000 1.038 98 T CA 1.002 62.987 62.100 -0.192 0.000 1.144 98 T CB -0.059 68.643 68.868 -0.276 0.000 0.866 98 T HN 0.235 nan 8.240 nan 0.000 0.434 99 M N 0.662 120.228 119.600 -0.056 0.000 2.065 99 M HA -0.118 4.351 4.480 -0.019 0.000 0.259 99 M C 2.517 178.786 176.300 -0.053 0.000 1.069 99 M CA 1.414 56.692 55.300 -0.037 0.000 1.110 99 M CB -0.800 31.796 32.600 -0.008 0.000 1.328 99 M HN 0.085 nan 8.290 nan 0.000 0.405 100 V N 1.122 121.013 119.914 -0.039 0.000 2.231 100 V HA -0.326 3.783 4.120 -0.019 0.000 0.250 100 V C 1.873 177.960 176.094 -0.011 0.000 1.058 100 V CA 2.176 64.474 62.300 -0.004 0.000 1.022 100 V CB -0.991 30.841 31.823 0.014 0.000 0.640 100 V HN 0.492 nan 8.190 nan 0.000 0.445 101 N N -0.545 118.143 118.700 -0.021 0.000 2.443 101 N HA -0.071 4.658 4.740 -0.019 0.000 0.184 101 N C 1.107 176.504 175.510 -0.188 0.000 1.037 101 N CA 0.812 53.825 53.050 -0.061 0.000 0.896 101 N CB -0.123 38.347 38.487 -0.030 0.000 0.959 101 N HN 0.307 nan 8.380 nan 0.000 0.442 102 L N -0.669 120.466 121.223 -0.147 0.000 2.664 102 L HA 0.390 4.719 4.340 -0.019 0.000 0.233 102 L C 0.778 177.553 176.870 -0.158 0.000 1.113 102 L CA -0.028 54.726 54.840 -0.144 0.000 0.896 102 L CB -0.453 41.547 42.059 -0.099 0.000 1.163 102 L HN 0.108 nan 8.230 nan 0.000 0.497 103 A N -0.808 121.916 122.820 -0.160 0.000 2.969 103 A HA -0.200 4.108 4.320 -0.019 0.000 0.252 103 A C 1.060 178.580 177.584 -0.107 0.000 1.377 103 A CA 0.892 52.847 52.037 -0.136 0.000 0.859 103 A CB -2.052 16.857 19.000 -0.151 0.000 1.077 103 A HN 0.178 nan 8.150 nan 0.000 0.671 104 L N -0.254 120.907 121.223 -0.104 0.000 2.607 104 L HA 0.230 4.559 4.340 -0.019 0.000 0.228 104 L C 1.867 178.701 176.870 -0.060 0.000 1.123 104 L CA 1.701 56.479 54.840 -0.104 0.000 0.890 104 L CB -0.517 41.460 42.059 -0.138 0.000 1.103 104 L HN 0.647 nan 8.230 nan 0.000 0.468 105 E N -0.296 119.877 120.200 -0.044 0.000 2.077 105 E HA -0.218 4.121 4.350 -0.019 0.000 0.193 105 E C 1.533 178.121 176.600 -0.020 0.000 0.989 105 E CA 1.181 57.567 56.400 -0.024 0.000 0.800 105 E CB 0.329 30.018 29.700 -0.018 0.000 0.746 105 E HN 0.402 nan 8.360 nan 0.000 0.452 106 N N -0.065 118.619 118.700 -0.027 0.000 2.250 106 N HA -0.034 4.695 4.740 -0.019 0.000 0.181 106 N C 1.522 177.017 175.510 -0.025 0.000 1.017 106 N CA 1.006 54.039 53.050 -0.027 0.000 0.866 106 N CB -0.260 38.209 38.487 -0.030 0.000 0.985 106 N HN 0.193 nan 8.380 nan 0.000 0.429 107 A N 0.748 123.551 122.820 -0.029 0.000 1.873 107 A HA -0.196 4.112 4.320 -0.019 0.000 0.218 107 A C 2.586 180.163 177.584 -0.011 0.000 1.193 107 A CA 1.676 53.698 52.037 -0.024 0.000 0.629 107 A CB -1.138 17.837 19.000 -0.041 0.000 0.826 107 A HN 0.452 nan 8.150 nan 0.000 0.447 108 C N -0.834 118.461 119.300 -0.007 0.000 2.435 108 C HA -0.056 4.392 4.460 -0.019 0.000 0.279 108 C C 2.427 177.421 174.990 0.006 0.000 1.321 108 C CA 0.921 59.947 59.018 0.012 0.000 1.752 108 C CB -1.221 26.540 27.740 0.034 0.000 1.959 108 C HN 0.654 nan 8.230 nan 0.000 0.500 109 D N 0.720 121.122 120.400 0.004 0.000 2.117 109 D HA -0.120 4.508 4.640 -0.019 0.000 0.198 109 D C 2.163 178.477 176.300 0.024 0.000 0.982 109 D CA 1.350 55.355 54.000 0.008 0.000 0.828 109 D CB -0.213 40.580 40.800 -0.011 0.000 0.967 109 D HN 0.424 nan 8.370 nan 0.000 0.464 110 E N 0.533 120.739 120.200 0.010 0.000 2.031 110 E HA -0.074 4.265 4.350 -0.019 0.000 0.193 110 E C 1.926 178.559 176.600 0.054 0.000 0.994 110 E CA 1.644 58.065 56.400 0.036 0.000 0.800 110 E CB -0.629 29.076 29.700 0.007 0.000 0.752 110 E HN 0.187 nan 8.360 nan 0.000 0.447 111 A N -0.205 122.618 122.820 0.005 0.000 1.917 111 A HA -0.256 4.053 4.320 -0.019 0.000 0.219 111 A C 2.481 179.993 177.584 -0.119 0.000 1.182 111 A CA 3.146 55.160 52.037 -0.038 0.000 0.633 111 A CB -1.453 17.530 19.000 -0.028 0.000 0.819 111 A HN 0.526 nan 8.150 nan 0.000 0.448 112 T N -4.256 110.228 114.554 -0.117 0.000 2.942 112 T HA -0.130 4.209 4.350 -0.019 0.000 0.265 112 T C 1.822 176.442 174.700 -0.133 0.000 1.062 112 T CA 1.339 63.311 62.100 -0.213 0.000 1.139 112 T CB -0.513 68.267 68.868 -0.146 0.000 0.883 112 T HN 0.450 nan 8.240 nan 0.000 0.468 113 Y N 2.213 122.434 120.300 -0.133 0.000 2.114 113 Y HA -0.079 4.460 4.550 -0.018 0.000 0.284 113 Y C 2.605 178.441 175.900 -0.105 0.000 1.143 113 Y CA 1.600 59.639 58.100 -0.101 0.000 1.135 113 Y CB -0.517 37.903 38.460 -0.067 0.000 0.980 113 Y HN 0.210 nan 8.280 nan 0.000 0.499 114 Q N -0.840 118.914 119.800 -0.077 0.000 2.439 114 Q HA -0.116 4.213 4.340 -0.019 0.000 0.211 114 Q C 1.186 177.065 176.000 -0.202 0.000 0.978 114 Q CA 0.657 56.374 55.803 -0.143 0.000 0.897 114 Q CB -0.022 28.700 28.738 -0.027 0.000 0.956 114 Q HN 0.359 nan 8.270 nan 0.000 0.483 115 L N -1.438 119.636 121.223 -0.248 0.000 2.607 115 L HA 0.218 4.547 4.340 -0.019 0.000 0.228 115 L C 1.112 177.808 176.870 -0.290 0.000 1.123 115 L CA 1.002 55.678 54.840 -0.274 0.000 0.890 115 L CB 0.144 41.958 42.059 -0.408 0.000 1.103 115 L HN 0.256 nan 8.230 nan 0.000 0.468 116 G N -0.048 108.561 108.800 -0.318 0.000 2.137 116 G HA2 -0.239 3.710 3.960 -0.019 0.000 0.237 116 G HA3 -0.239 3.710 3.960 -0.019 0.000 0.237 116 G C 0.081 174.831 174.900 -0.251 0.000 1.002 116 G CA 0.217 45.141 45.100 -0.293 0.000 0.702 116 G HN 0.259 nan 8.290 nan 0.000 0.515 117 L N 0.119 121.190 121.223 -0.254 0.000 2.346 117 L HA 0.576 4.905 4.340 -0.019 0.000 0.274 117 L C -0.406 176.418 176.870 -0.078 0.000 1.007 117 L CA -1.149 53.573 54.840 -0.197 0.000 0.818 117 L CB 1.797 43.679 42.059 -0.295 0.000 1.284 117 L HN 0.078 nan 8.230 nan 0.000 0.424 118 D N 2.383 122.770 120.400 -0.022 0.000 2.347 118 D HA 0.137 4.766 4.640 -0.019 0.000 0.235 118 D C 0.714 177.037 176.300 0.039 0.000 1.149 118 D CA -0.113 53.905 54.000 0.030 0.000 0.850 118 D CB 1.361 42.185 40.800 0.039 0.000 1.061 118 D HN 0.497 nan 8.370 nan 0.000 0.487 119 M N 3.135 122.761 119.600 0.043 0.000 2.149 119 M HA -0.153 4.316 4.480 -0.019 0.000 0.261 119 M C 1.416 177.756 176.300 0.067 0.000 1.064 119 M CA 1.509 56.844 55.300 0.058 0.000 1.102 119 M CB 0.181 32.810 32.600 0.050 0.000 1.369 119 M HN 0.433 nan 8.290 nan 0.000 0.408 120 E N -0.183 120.048 120.200 0.052 0.000 2.110 120 E HA -0.256 4.083 4.350 -0.019 0.000 0.193 120 E C 1.860 178.489 176.600 0.049 0.000 0.988 120 E CA 1.373 57.800 56.400 0.046 0.000 0.804 120 E CB -0.173 29.551 29.700 0.039 0.000 0.745 120 E HN 0.639 nan 8.360 nan 0.000 0.458 121 E N 0.406 120.638 120.200 0.053 0.000 2.077 121 E HA -0.207 4.132 4.350 -0.019 0.000 0.193 121 E C 2.008 178.645 176.600 0.061 0.000 0.989 121 E CA 0.623 57.055 56.400 0.053 0.000 0.800 121 E CB 0.164 29.897 29.700 0.055 0.000 0.746 121 E HN 0.069 nan 8.360 nan 0.000 0.452 122 L N 1.433 122.713 121.223 0.095 0.000 2.017 122 L HA -0.161 4.167 4.340 -0.019 0.000 0.208 122 L C 2.138 179.066 176.870 0.097 0.000 1.073 122 L CA 1.711 56.639 54.840 0.146 0.000 0.745 122 L CB -0.876 41.315 42.059 0.221 0.000 0.894 122 L HN 0.137 nan 8.230 nan 0.000 0.432 123 E N -0.581 119.671 120.200 0.087 0.000 2.130 123 E HA -0.235 4.104 4.350 -0.019 0.000 0.196 123 E C 1.801 178.367 176.600 -0.058 0.000 0.998 123 E CA 1.181 57.605 56.400 0.038 0.000 0.806 123 E CB -0.031 29.693 29.700 0.040 0.000 0.738 123 E HN 0.428 nan 8.360 nan 0.000 0.459 124 E N -0.020 120.158 120.200 -0.037 0.000 2.478 124 E HA -0.104 4.235 4.350 -0.019 0.000 0.198 124 E C 1.747 178.284 176.600 -0.105 0.000 1.046 124 E CA 0.512 56.887 56.400 -0.042 0.000 0.870 124 E CB 0.079 29.786 29.700 0.012 0.000 0.818 124 E HN 0.390 nan 8.360 nan 0.000 0.527 125 I N 0.751 121.196 120.570 -0.208 0.000 2.716 125 I HA -0.082 4.077 4.170 -0.019 0.000 0.259 125 I C 1.305 177.128 176.117 -0.489 0.000 1.172 125 I CA 0.204 61.318 61.300 -0.311 0.000 1.478 125 I CB 0.252 38.068 38.000 -0.307 0.000 1.104 125 I HN -0.055 nan 8.210 nan 0.000 0.439 126 E N 2.718 122.518 120.200 -0.666 0.000 2.417 126 E HA -0.039 4.300 4.350 -0.019 0.000 0.261 126 E C -0.229 176.271 176.600 -0.167 0.000 1.000 126 E CA -0.275 55.778 56.400 -0.578 0.000 0.919 126 E CB 0.571 30.022 29.700 -0.414 0.000 0.955 126 E HN 0.093 nan 8.360 nan 0.000 0.455 127 E N 3.447 123.636 120.200 -0.019 0.000 2.398 127 E HA 0.018 4.357 4.350 -0.019 0.000 0.263 127 E C -0.729 175.952 176.600 0.135 0.000 1.046 127 E CA -0.000 56.475 56.400 0.125 0.000 0.908 127 E CB 0.495 30.370 29.700 0.291 0.000 0.963 127 E HN 0.476 nan 8.360 nan 0.000 0.431 128 D N 0.696 121.155 120.400 0.098 0.000 2.425 128 D HA 0.154 4.783 4.640 -0.019 0.000 0.247 128 D C -0.315 175.989 176.300 0.006 0.000 1.147 128 D CA 0.121 54.153 54.000 0.053 0.000 0.879 128 D CB 0.589 41.416 40.800 0.046 0.000 1.179 128 D HN 0.380 nan 8.370 nan 0.000 0.456 129 A N 2.795 125.570 122.820 -0.074 0.000 2.655 129 A HA 0.422 4.730 4.320 -0.019 0.000 0.297 129 A C 1.127 178.539 177.584 -0.287 0.000 1.461 129 A CA -0.278 51.501 52.037 -0.430 0.000 1.146 129 A CB -0.407 18.415 19.000 -0.298 0.000 1.108 129 A HN 0.543 nan 8.150 nan 0.000 0.550 130 G N 2.085 110.655 108.800 -0.383 0.000 3.741 130 G HA2 0.408 4.357 3.960 -0.019 0.000 0.263 130 G HA3 0.408 4.357 3.960 -0.019 0.000 0.263 130 G C 0.324 174.941 174.900 -0.472 0.000 1.175 130 G CA -0.325 44.600 45.100 -0.292 0.000 1.642 130 G HN 0.693 nan 8.290 nan 0.000 0.644 131 L N 1.363 122.376 121.223 -0.350 0.000 2.862 131 L HA 0.378 4.707 4.340 -0.019 0.000 0.240 131 L C 1.028 177.819 176.870 -0.132 0.000 1.283 131 L CA -0.176 54.577 54.840 -0.144 0.000 1.117 131 L CB -0.375 41.718 42.059 0.056 0.000 1.444 131 L HN 0.342 nan 8.230 nan 0.000 0.456 132 G N -1.256 107.236 108.800 -0.514 0.000 2.608 132 G HA2 0.192 4.141 3.960 -0.019 0.000 0.291 132 G HA3 0.192 4.141 3.960 -0.019 0.000 0.291 132 G C -0.162 174.325 174.900 -0.688 0.000 1.425 132 G CA -0.445 44.374 45.100 -0.468 0.000 0.787 132 G HN -0.085 nan 8.290 nan 0.000 0.484 133 N N -0.885 117.645 118.700 -0.283 0.000 2.436 133 N HA 0.223 4.952 4.740 -0.019 0.000 0.178 133 N C 1.128 176.682 175.510 0.073 0.000 1.026 133 N CA 1.281 54.252 53.050 -0.132 0.000 0.880 133 N CB 1.266 39.755 38.487 0.004 0.000 1.061 133 N HN 0.815 nan 8.380 nan 0.000 0.434 134 G N -0.676 108.237 108.800 0.188 0.000 2.947 134 G HA2 0.221 4.170 3.960 -0.019 0.000 0.115 134 G HA3 0.221 4.170 3.960 -0.019 0.000 0.115 134 G C 0.713 175.721 174.900 0.179 0.000 1.214 134 G CA 0.256 45.507 45.100 0.251 0.000 1.324 134 G HN 0.166 nan 8.290 nan 0.000 0.645 135 G N 0.414 109.268 108.800 0.091 0.000 2.446 135 G HA2 -0.107 3.842 3.960 -0.019 0.000 0.217 135 G HA3 -0.107 3.842 3.960 -0.019 0.000 0.217 135 G C 1.900 176.783 174.900 -0.028 0.000 1.168 135 G CA 1.510 46.627 45.100 0.028 0.000 0.771 135 G HN 0.800 nan 8.290 nan 0.000 0.551 136 L N 0.637 121.805 121.223 -0.092 0.000 2.042 136 L HA 0.065 4.394 4.340 -0.019 0.000 0.210 136 L C 2.770 179.554 176.870 -0.143 0.000 1.076 136 L CA 2.046 56.724 54.840 -0.269 0.000 0.749 136 L CB -0.468 41.378 42.059 -0.356 0.000 0.893 136 L HN 0.240 nan 8.230 nan 0.000 0.432 137 G N -0.884 107.906 108.800 -0.017 0.000 2.408 137 G HA2 -0.251 3.697 3.960 -0.019 0.000 0.215 137 G HA3 -0.251 3.697 3.960 -0.019 0.000 0.215 137 G C 1.628 176.598 174.900 0.117 0.000 1.156 137 G CA 0.534 45.656 45.100 0.037 0.000 0.793 137 G HN 0.284 nan 8.290 nan 0.000 0.535 138 R N 0.011 120.600 120.500 0.149 0.000 2.148 138 R HA 0.169 4.498 4.340 -0.019 0.000 0.223 138 R C 2.256 178.569 176.300 0.021 0.000 1.088 138 R CA 0.648 56.806 56.100 0.097 0.000 0.985 138 R CB -0.804 29.507 30.300 0.018 0.000 0.880 138 R HN 0.315 nan 8.270 nan 0.000 0.451 139 L N 0.157 121.331 121.223 -0.082 0.000 2.042 139 L HA -0.027 4.301 4.340 -0.019 0.000 0.210 139 L C 2.066 178.679 176.870 -0.428 0.000 1.076 139 L CA 2.160 56.836 54.840 -0.274 0.000 0.749 139 L CB -0.789 41.068 42.059 -0.337 0.000 0.893 139 L HN 0.254 nan 8.230 nan 0.000 0.432 140 A N -0.597 122.076 122.820 -0.245 0.000 1.902 140 A HA -0.142 4.167 4.320 -0.019 0.000 0.217 140 A C 2.450 180.081 177.584 0.079 0.000 1.181 140 A CA 1.884 53.833 52.037 -0.146 0.000 0.623 140 A CB -1.182 17.699 19.000 -0.198 0.000 0.818 140 A HN 0.570 nan 8.150 nan 0.000 0.443 141 A N -0.949 121.960 122.820 0.148 0.000 1.877 141 A HA -0.185 4.123 4.320 -0.019 0.000 0.216 141 A C 2.332 180.001 177.584 0.142 0.000 1.186 141 A CA 1.690 53.839 52.037 0.185 0.000 0.620 141 A CB -1.381 17.715 19.000 0.159 0.000 0.822 141 A HN 0.600 nan 8.150 nan 0.000 0.443 142 C N -1.551 117.842 119.300 0.155 0.000 2.413 142 C HA -0.118 4.331 4.460 -0.019 0.000 0.276 142 C C 2.452 177.623 174.990 0.301 0.000 1.248 142 C CA 0.878 60.031 59.018 0.225 0.000 1.742 142 C CB -1.670 26.233 27.740 0.272 0.000 2.017 142 C HN 0.602 nan 8.230 nan 0.000 0.481 143 F N 1.071 121.005 119.950 -0.027 0.000 2.102 143 F HA -0.082 4.433 4.527 -0.019 0.000 0.298 143 F C 2.261 178.000 175.800 -0.101 0.000 1.105 143 F CA 1.094 59.025 58.000 -0.115 0.000 1.239 143 F CB -1.346 37.450 39.000 -0.340 0.000 0.991 143 F HN 0.185 nan 8.300 nan 0.000 0.474 144 L N -0.388 120.908 121.223 0.122 0.000 2.042 144 L HA -0.262 4.067 4.340 -0.019 0.000 0.210 144 L C 2.420 179.299 176.870 0.015 0.000 1.076 144 L CA 1.963 56.830 54.840 0.045 0.000 0.749 144 L CB -0.803 41.287 42.059 0.053 0.000 0.893 144 L HN 0.184 nan 8.230 nan 0.000 0.432 145 D N -0.198 120.221 120.400 0.032 0.000 2.097 145 D HA -0.168 4.461 4.640 -0.019 0.000 0.195 145 D C 2.112 178.423 176.300 0.019 0.000 0.989 145 D CA 1.640 55.645 54.000 0.008 0.000 0.827 145 D CB 0.292 41.094 40.800 0.004 0.000 0.966 145 D HN 0.192 nan 8.370 nan 0.000 0.456 146 S N -0.222 115.500 115.700 0.037 0.000 2.383 146 S HA -0.065 4.394 4.470 -0.019 0.000 0.227 146 S C 2.130 176.730 174.600 0.001 0.000 1.026 146 S CA 0.768 58.977 58.200 0.016 0.000 0.981 146 S CB -0.111 63.091 63.200 0.004 0.000 0.818 146 S HN 0.343 nan 8.310 nan 0.000 0.472 147 M N 0.783 120.377 119.600 -0.009 0.000 2.159 147 M HA -0.096 4.373 4.480 -0.019 0.000 0.263 147 M C 2.402 178.701 176.300 -0.001 0.000 1.063 147 M CA 1.363 56.659 55.300 -0.006 0.000 1.110 147 M CB -0.457 32.125 32.600 -0.030 0.000 1.374 147 M HN 0.397 nan 8.290 nan 0.000 0.411 148 A N -0.267 122.550 122.820 -0.005 0.000 1.872 148 A HA -0.112 4.196 4.320 -0.019 0.000 0.214 148 A C 2.137 179.736 177.584 0.025 0.000 1.187 148 A CA 1.958 53.996 52.037 0.003 0.000 0.614 148 A CB -1.085 17.901 19.000 -0.024 0.000 0.826 148 A HN 0.404 nan 8.150 nan 0.000 0.442 149 T N 0.404 114.977 114.554 0.031 0.000 2.849 149 T HA -0.027 4.312 4.350 -0.019 0.000 0.270 149 T C 1.206 175.935 174.700 0.049 0.000 1.066 149 T CA 1.148 63.280 62.100 0.054 0.000 1.130 149 T CB -0.292 68.615 68.868 0.064 0.000 0.864 149 T HN 0.338 nan 8.240 nan 0.000 0.481 150 L N 0.447 121.694 121.223 0.040 0.000 2.741 150 L HA 0.327 4.656 4.340 -0.019 0.000 0.237 150 L C 1.539 178.442 176.870 0.055 0.000 1.178 150 L CA -0.246 54.620 54.840 0.044 0.000 0.973 150 L CB -0.418 41.664 42.059 0.038 0.000 1.255 150 L HN 0.337 nan 8.230 nan 0.000 0.498 151 G N 1.446 110.283 108.800 0.063 0.000 2.341 151 G HA2 -0.292 3.657 3.960 -0.019 0.000 0.292 151 G HA3 -0.292 3.657 3.960 -0.019 0.000 0.292 151 G C 0.088 175.045 174.900 0.095 0.000 1.021 151 G CA 0.200 45.358 45.100 0.098 0.000 0.905 151 G HN 0.315 nan 8.290 nan 0.000 0.508 152 L N -0.296 120.951 121.223 0.042 0.000 2.334 152 L HA 0.603 4.932 4.340 -0.019 0.000 0.277 152 L C 1.183 177.957 176.870 -0.161 0.000 1.075 152 L CA -0.438 54.383 54.840 -0.030 0.000 0.804 152 L CB 1.608 43.660 42.059 -0.013 0.000 1.174 152 L HN 0.258 nan 8.230 nan 0.000 0.438 153 A N 3.084 125.683 122.820 -0.369 0.000 2.981 153 A HA 0.569 4.878 4.320 -0.019 0.000 0.280 153 A C 0.246 177.505 177.584 -0.542 0.000 1.743 153 A CA -0.086 51.454 52.037 -0.828 0.000 1.430 153 A CB -0.690 17.677 19.000 -1.056 0.000 1.085 153 A HN 0.701 nan 8.150 nan 0.000 0.597 154 A N 1.694 124.231 122.820 -0.472 0.000 2.374 154 A HA 0.815 5.124 4.320 -0.019 0.000 0.317 154 A C -1.070 176.261 177.584 -0.421 0.000 1.094 154 A CA -0.499 51.337 52.037 -0.335 0.000 0.765 154 A CB 0.951 19.815 19.000 -0.226 0.000 1.268 154 A HN 0.624 nan 8.150 nan 0.000 0.438 155 Y N 0.123 120.346 120.300 -0.127 0.000 2.391 155 Y HA 0.545 5.083 4.550 -0.018 0.000 0.341 155 Y C 0.862 176.830 175.900 0.113 0.000 0.965 155 Y CA -0.626 57.469 58.100 -0.007 0.000 1.067 155 Y CB 2.479 41.007 38.460 0.113 0.000 1.199 155 Y HN 0.828 nan 8.280 nan 0.000 0.450 156 G N 2.296 111.155 108.800 0.099 0.000 2.320 156 G HA2 0.410 4.359 3.960 -0.019 0.000 0.300 156 G HA3 0.410 4.359 3.960 -0.019 0.000 0.300 156 G C -1.658 173.193 174.900 -0.081 0.000 1.126 156 G CA -0.184 44.970 45.100 0.089 0.000 0.896 156 G HN 0.510 nan 8.290 nan 0.000 0.436 157 Y N 1.525 122.028 120.300 0.338 0.000 2.341 157 Y HA 0.625 5.164 4.550 -0.019 0.000 0.338 157 Y C 0.827 177.029 175.900 0.502 0.000 0.965 157 Y CA 0.260 58.547 58.100 0.312 0.000 1.108 157 Y CB 2.540 41.217 38.460 0.361 0.000 1.180 157 Y HN 0.826 nan 8.280 nan 0.000 0.458 158 G N 2.423 111.540 108.800 0.528 0.000 2.753 158 G HA2 0.571 4.520 3.960 -0.019 0.000 0.303 158 G HA3 0.571 4.520 3.960 -0.019 0.000 0.303 158 G C -1.681 173.464 174.900 0.408 0.000 1.242 158 G CA -0.825 44.627 45.100 0.587 0.000 0.810 158 G HN 0.414 nan 8.290 nan 0.000 0.515 159 I N 0.588 121.298 120.570 0.233 0.000 2.441 159 I HA 0.433 4.591 4.170 -0.019 0.000 0.295 159 I C 0.194 176.231 176.117 -0.132 0.000 0.994 159 I CA -0.738 60.589 61.300 0.044 0.000 1.144 159 I CB 2.209 40.048 38.000 -0.269 0.000 1.314 159 I HN 0.353 nan 8.210 nan 0.000 0.445 160 R N 5.968 126.480 120.500 0.020 0.000 2.419 160 R HA 0.239 4.568 4.340 -0.019 0.000 0.305 160 R C -1.295 175.047 176.300 0.069 0.000 1.242 160 R CA -0.403 55.731 56.100 0.057 0.000 1.105 160 R CB -0.020 30.292 30.300 0.020 0.000 1.116 160 R HN 0.390 nan 8.270 nan 0.000 0.523 161 Y N 1.489 121.946 120.300 0.260 0.000 2.425 161 Y HA -0.040 4.498 4.550 -0.019 0.000 0.331 161 Y C 1.522 177.588 175.900 0.276 0.000 1.157 161 Y CA -0.052 58.190 58.100 0.238 0.000 1.372 161 Y CB 0.901 39.485 38.460 0.206 0.000 1.253 161 Y HN 0.580 nan 8.280 nan 0.000 0.536 162 E N 1.823 122.193 120.200 0.284 0.000 2.152 162 E HA -0.035 4.304 4.350 -0.019 0.000 0.192 162 E C -0.818 175.583 176.600 -0.333 0.000 0.983 162 E CA 0.662 57.011 56.400 -0.085 0.000 0.818 162 E CB 0.204 29.781 29.700 -0.205 0.000 0.758 162 E HN 0.489 nan 8.360 nan 0.000 0.467 163 F N -0.559 119.605 119.950 0.357 0.000 2.507 163 F HA 0.428 4.944 4.527 -0.019 0.000 0.328 163 F C 0.735 176.627 175.800 0.152 0.000 1.136 163 F CA -0.957 57.214 58.000 0.286 0.000 0.930 163 F CB 1.795 40.894 39.000 0.164 0.000 1.166 163 F HN -0.151 nan 8.300 nan 0.000 0.436 164 G N 1.698 110.615 108.800 0.194 0.000 2.504 164 G HA2 0.349 4.298 3.960 -0.019 0.000 0.257 164 G HA3 0.349 4.298 3.960 -0.019 0.000 0.257 164 G C -0.477 174.374 174.900 -0.082 0.000 1.451 164 G CA -0.684 44.366 45.100 -0.083 0.000 1.059 164 G HN 0.552 nan 8.290 nan 0.000 0.550 165 I N 0.935 121.370 120.570 -0.225 0.000 2.826 165 I HA 0.160 4.319 4.170 -0.019 0.000 0.295 165 I C 0.602 176.608 176.117 -0.184 0.000 1.213 165 I CA -1.074 60.064 61.300 -0.270 0.000 1.436 165 I CB -0.398 37.343 38.000 -0.433 0.000 1.348 165 I HN 0.323 nan 8.210 nan 0.000 0.570 166 F N 6.369 126.328 119.950 0.016 0.000 2.589 166 F HA 0.234 4.750 4.527 -0.018 0.000 0.352 166 F C 0.561 176.409 175.800 0.080 0.000 1.168 166 F CA -0.580 57.452 58.000 0.053 0.000 1.353 166 F CB -0.333 38.688 39.000 0.035 0.000 1.116 166 F HN 0.428 nan 8.300 nan 0.000 0.608 167 N N 2.361 121.240 118.700 0.298 0.000 2.470 167 N HA 0.032 4.761 4.740 -0.019 0.000 0.268 167 N C -0.770 174.982 175.510 0.404 0.000 1.136 167 N CA -0.232 52.968 53.050 0.251 0.000 0.961 167 N CB 1.154 39.770 38.487 0.215 0.000 1.067 167 N HN 0.747 nan 8.380 nan 0.000 0.468 168 Q N 2.593 122.602 119.800 0.348 0.000 2.296 168 Q HA 0.138 4.467 4.340 -0.019 0.000 0.257 168 Q C -0.912 175.255 176.000 0.279 0.000 0.942 168 Q CA -0.317 55.724 55.803 0.396 0.000 0.939 168 Q CB 0.613 29.593 28.738 0.405 0.000 1.198 168 Q HN 0.193 nan 8.270 nan 0.000 0.429 169 K N 4.164 124.704 120.400 0.233 0.000 2.207 169 K HA 0.461 4.770 4.320 -0.019 0.000 0.255 169 K C -0.609 176.086 176.600 0.159 0.000 0.941 169 K CA -0.843 55.555 56.287 0.186 0.000 0.825 169 K CB 1.469 34.060 32.500 0.151 0.000 1.119 169 K HN 0.632 nan 8.250 nan 0.000 0.430 170 I N 1.821 122.476 120.570 0.141 0.000 2.321 170 I HA 0.195 4.354 4.170 -0.019 0.000 0.291 170 I C 0.028 176.200 176.117 0.092 0.000 0.998 170 I CA -0.823 60.532 61.300 0.091 0.000 1.227 170 I CB 0.969 39.003 38.000 0.056 0.000 1.368 170 I HN 0.441 nan 8.210 nan 0.000 0.466 171 C N 5.215 124.580 119.300 0.109 0.000 2.344 171 C HA 0.634 5.083 4.460 -0.019 0.000 0.326 171 C C 1.137 176.228 174.990 0.168 0.000 1.201 171 C CA 0.209 59.299 59.018 0.120 0.000 1.410 171 C CB -0.177 27.630 27.740 0.112 0.000 2.070 171 C HN 1.121 nan 8.230 nan 0.000 0.445 172 G N 4.186 113.055 108.800 0.115 0.000 2.305 172 G HA2 0.077 4.026 3.960 -0.019 0.000 0.287 172 G HA3 0.077 4.026 3.960 -0.019 0.000 0.287 172 G C 1.230 176.130 174.900 -0.001 0.000 1.036 172 G CA 1.171 46.338 45.100 0.113 0.000 0.887 172 G HN 2.630 nan 8.290 nan 0.000 0.505 173 G N -2.950 105.798 108.800 -0.086 0.000 2.184 173 G HA2 -0.306 3.643 3.960 -0.019 0.000 0.264 173 G HA3 -0.306 3.643 3.960 -0.019 0.000 0.264 173 G C 0.383 175.024 174.900 -0.433 0.000 0.975 173 G CA 0.725 45.652 45.100 -0.288 0.000 0.642 173 G HN 1.176 nan 8.290 nan 0.000 0.536 174 W N 0.446 121.693 121.300 -0.088 0.000 2.512 174 W HA 0.647 5.296 4.660 -0.018 0.000 0.335 174 W C 0.637 177.105 176.519 -0.085 0.000 1.088 174 W CA -0.925 56.363 57.345 -0.095 0.000 1.236 174 W CB 0.878 30.297 29.460 -0.067 0.000 1.307 174 W HN 0.221 nan 8.180 nan 0.000 0.567 175 Q N 3.162 123.062 119.800 0.167 0.000 2.296 175 Q HA 0.236 4.565 4.340 -0.019 0.000 0.262 175 Q C -0.597 175.453 176.000 0.084 0.000 0.981 175 Q CA 0.006 55.870 55.803 0.102 0.000 0.905 175 Q CB 0.564 29.349 28.738 0.080 0.000 1.186 175 Q HN 0.302 nan 8.270 nan 0.000 0.399 176 M N 3.257 122.903 119.600 0.076 0.000 2.364 176 M HA 0.355 4.823 4.480 -0.019 0.000 0.334 176 M C -0.989 175.314 176.300 0.005 0.000 1.107 176 M CA -0.676 54.638 55.300 0.023 0.000 0.988 176 M CB 1.581 34.209 32.600 0.047 0.000 1.673 176 M HN 0.587 nan 8.290 nan 0.000 0.441 177 E N 2.126 122.252 120.200 -0.124 0.000 2.197 177 E HA 0.391 4.730 4.350 -0.019 0.000 0.281 177 E C -0.463 176.131 176.600 -0.010 0.000 0.995 177 E CA -0.426 55.867 56.400 -0.178 0.000 0.808 177 E CB 1.208 30.544 29.700 -0.606 0.000 1.093 177 E HN 0.522 nan 8.360 nan 0.000 0.394 178 E N 1.067 121.343 120.200 0.126 0.000 2.343 178 E HA 0.716 5.055 4.350 -0.019 0.000 0.270 178 E C -1.058 175.637 176.600 0.158 0.000 0.895 178 E CA -1.512 54.950 56.400 0.104 0.000 0.767 178 E CB 1.402 31.162 29.700 0.101 0.000 1.248 178 E HN 0.431 nan 8.360 nan 0.000 0.440 179 A N 2.084 124.957 122.820 0.090 0.000 2.520 179 A HA 0.057 4.366 4.320 -0.019 0.000 0.245 179 A C -0.101 177.651 177.584 0.279 0.000 1.072 179 A CA 0.113 52.215 52.037 0.108 0.000 0.761 179 A CB -0.025 18.905 19.000 -0.117 0.000 1.004 179 A HN 0.679 nan 8.150 nan 0.000 0.499 180 D N 1.849 122.475 120.400 0.377 0.000 2.470 180 D HA 0.171 4.800 4.640 -0.019 0.000 0.226 180 D C -0.336 176.295 176.300 0.552 0.000 1.196 180 D CA -0.061 54.170 54.000 0.385 0.000 0.979 180 D CB 0.331 41.292 40.800 0.267 0.000 1.059 180 D HN 0.407 nan 8.370 nan 0.000 0.515 181 D N 3.868 124.552 120.400 0.473 0.000 2.994 181 D HA -0.027 4.602 4.640 -0.019 0.000 0.240 181 D C 1.161 177.585 176.300 0.206 0.000 1.195 181 D CA -0.557 53.657 54.000 0.356 0.000 0.957 181 D CB -0.235 40.775 40.800 0.350 0.000 1.105 181 D HN 0.550 nan 8.370 nan 0.000 0.477 182 W N 1.398 122.723 121.300 0.041 0.000 2.611 182 W HA -0.025 4.624 4.660 -0.019 0.000 0.251 182 W C -0.032 176.527 176.519 0.068 0.000 1.265 182 W CA 0.096 57.485 57.345 0.073 0.000 1.295 182 W CB -0.677 28.826 29.460 0.073 0.000 1.129 182 W HN 0.181 nan 8.180 nan 0.000 0.630 183 L N 0.700 121.582 121.223 -0.569 0.000 2.640 183 L HA 0.202 4.531 4.340 -0.019 0.000 0.230 183 L C 2.703 179.410 176.870 -0.272 0.000 1.123 183 L CA -0.136 54.343 54.840 -0.602 0.000 0.900 183 L CB -0.576 40.990 42.059 -0.821 0.000 1.146 183 L HN -0.126 nan 8.230 nan 0.000 0.484 184 R N 0.637 121.034 120.500 -0.172 0.000 2.133 184 R HA -0.243 4.086 4.340 -0.019 0.000 0.245 184 R C 1.589 177.709 176.300 -0.300 0.000 1.137 184 R CA 2.288 58.242 56.100 -0.242 0.000 0.947 184 R CB -0.235 29.893 30.300 -0.287 0.000 0.865 184 R HN 0.297 nan 8.270 nan 0.000 0.437 185 Y N -0.754 119.561 120.300 0.026 0.000 2.466 185 Y HA 0.293 4.832 4.550 -0.018 0.000 0.272 185 Y C 0.891 176.787 175.900 -0.007 0.000 1.169 185 Y CA 0.453 58.585 58.100 0.055 0.000 1.285 185 Y CB 0.777 39.392 38.460 0.258 0.000 1.078 185 Y HN 0.427 nan 8.280 nan 0.000 0.523 186 G N 1.184 110.031 108.800 0.077 0.000 2.663 186 G HA2 -0.214 3.735 3.960 -0.019 0.000 0.686 186 G HA3 -0.214 3.735 3.960 -0.019 0.000 0.686 186 G C -1.323 173.646 174.900 0.116 0.000 1.246 186 G CA -0.878 44.226 45.100 0.007 0.000 0.795 186 G HN 0.236 nan 8.290 nan 0.000 0.627 187 N N 1.557 120.264 118.700 0.012 0.000 2.564 187 N HA 0.573 5.302 4.740 -0.019 0.000 0.248 187 N C -0.508 175.015 175.510 0.022 0.000 0.986 187 N CA -2.120 50.970 53.050 0.066 0.000 0.921 187 N CB 1.843 40.319 38.487 -0.019 0.000 1.136 187 N HN 0.213 nan 8.380 nan 0.000 0.509 188 P HA -0.051 nan 4.420 nan 0.000 0.225 188 P C 0.597 177.613 177.300 -0.473 0.000 1.148 188 P CA 1.000 63.809 63.100 -0.484 0.000 0.779 188 P CB 0.073 31.175 31.700 -0.998 0.000 0.780 189 W N 1.618 122.931 121.300 0.021 0.000 2.658 189 W HA 0.047 4.696 4.660 -0.018 0.000 0.263 189 W C 1.282 177.835 176.519 0.056 0.000 1.274 189 W CA -0.384 56.966 57.345 0.009 0.000 1.343 189 W CB -0.119 29.351 29.460 0.017 0.000 1.106 189 W HN 0.017 nan 8.180 nan 0.000 0.615 190 E N 1.441 121.815 120.200 0.290 0.000 2.283 190 E HA 0.371 4.710 4.350 -0.019 0.000 0.271 190 E C -0.701 176.074 176.600 0.292 0.000 1.031 190 E CA -0.877 55.708 56.400 0.308 0.000 0.868 190 E CB 1.426 31.326 29.700 0.332 0.000 1.094 190 E HN -0.336 nan 8.360 nan 0.000 0.401 191 K N 1.504 122.094 120.400 0.317 0.000 2.483 191 K HA 0.405 4.713 4.320 -0.019 0.000 0.256 191 K C -1.102 175.528 176.600 0.051 0.000 0.961 191 K CA -0.511 55.896 56.287 0.199 0.000 0.873 191 K CB 1.451 34.074 32.500 0.204 0.000 1.107 191 K HN 0.665 nan 8.250 nan 0.000 0.432 192 A N 4.480 127.238 122.820 -0.104 0.000 2.546 192 A HA 0.253 4.562 4.320 -0.019 0.000 0.243 192 A C -0.238 177.158 177.584 -0.314 0.000 1.063 192 A CA 0.068 51.776 52.037 -0.548 0.000 0.757 192 A CB 0.157 18.878 19.000 -0.466 0.000 0.991 192 A HN 0.674 nan 8.150 nan 0.000 0.503 193 R N 3.502 123.804 120.500 -0.331 0.000 2.748 193 R HA 0.199 4.527 4.340 -0.019 0.000 0.283 193 R C -2.337 173.844 176.300 -0.197 0.000 1.507 193 R CA -1.572 54.427 56.100 -0.169 0.000 1.666 193 R CB 0.831 31.183 30.300 0.087 0.000 1.237 193 R HN 0.564 nan 8.270 nan 0.000 0.633 194 P HA -0.188 nan 4.420 nan 0.000 0.219 194 P C 0.987 178.179 177.300 -0.179 0.000 1.146 194 P CA 1.142 64.151 63.100 -0.150 0.000 0.808 194 P CB 0.338 31.960 31.700 -0.130 0.000 0.779 195 E N -0.144 119.834 120.200 -0.370 0.000 2.401 195 E HA -0.149 4.190 4.350 -0.019 0.000 0.199 195 E C 0.430 176.725 176.600 -0.509 0.000 1.023 195 E CA 0.902 57.004 56.400 -0.497 0.000 0.859 195 E CB -0.864 28.419 29.700 -0.696 0.000 0.780 195 E HN 0.295 nan 8.360 nan 0.000 0.523 196 F N 1.514 121.478 119.950 0.023 0.000 2.772 196 F HA 0.290 4.806 4.527 -0.019 0.000 0.302 196 F C 0.460 176.351 175.800 0.152 0.000 1.136 196 F CA -0.725 57.318 58.000 0.072 0.000 1.322 196 F CB 0.055 39.091 39.000 0.060 0.000 0.967 196 F HN -0.303 nan 8.300 nan 0.000 0.513 197 T N 2.590 117.278 114.554 0.223 0.000 2.932 197 T HA 0.294 4.633 4.350 -0.019 0.000 0.312 197 T C -0.294 174.517 174.700 0.185 0.000 1.071 197 T CA 0.417 62.655 62.100 0.230 0.000 1.128 197 T CB 0.735 69.686 68.868 0.138 0.000 0.984 197 T HN -0.120 nan 8.240 nan 0.000 0.549 198 L N 4.889 126.192 121.223 0.135 0.000 2.401 198 L HA 0.525 4.854 4.340 -0.019 0.000 0.266 198 L C -2.252 174.590 176.870 -0.046 0.000 0.991 198 L CA -2.493 52.356 54.840 0.014 0.000 0.818 198 L CB 2.094 44.086 42.059 -0.111 0.000 1.321 198 L HN 0.381 nan 8.230 nan 0.000 0.413 199 P HA 0.290 nan 4.420 nan 0.000 0.280 199 P C -1.111 176.074 177.300 -0.191 0.000 1.244 199 P CA -0.226 62.802 63.100 -0.119 0.000 0.784 199 P CB 1.450 33.078 31.700 -0.119 0.000 0.913 200 V N 4.279 124.068 119.914 -0.208 0.000 2.604 200 V HA 0.337 4.446 4.120 -0.019 0.000 0.305 200 V C 0.177 176.080 176.094 -0.318 0.000 1.043 200 V CA -0.613 61.555 62.300 -0.221 0.000 0.888 200 V CB 1.565 33.313 31.823 -0.124 0.000 0.995 200 V HN 0.605 nan 8.190 nan 0.000 0.429 201 H N 3.678 122.593 119.070 -0.258 0.000 2.472 201 H HA 0.635 5.180 4.556 -0.019 0.000 0.338 201 H C -1.310 173.722 175.328 -0.493 0.000 1.133 201 H CA -0.166 55.654 56.048 -0.380 0.000 1.216 201 H CB 2.014 31.300 29.762 -0.793 0.000 1.497 201 H HN 0.478 nan 8.280 nan 0.000 0.500 202 F N 0.077 120.081 119.950 0.091 0.000 2.629 202 F HA 0.218 4.733 4.527 -0.019 0.000 0.316 202 F C -0.138 175.776 175.800 0.190 0.000 1.081 202 F CA -0.564 57.498 58.000 0.103 0.000 0.954 202 F CB 0.927 39.901 39.000 -0.044 0.000 1.337 202 F HN 0.553 nan 8.300 nan 0.000 0.474 203 Y N 0.116 120.710 120.300 0.491 0.000 2.887 203 Y HA -0.028 4.511 4.550 -0.019 0.000 0.467 203 Y C 1.396 177.546 175.900 0.417 0.000 1.191 203 Y CA 0.747 59.056 58.100 0.347 0.000 2.539 203 Y CB -1.935 36.659 38.460 0.223 0.000 1.225 203 Y HN 1.299 nan 8.280 nan 0.000 0.630 204 G N 0.730 109.802 108.800 0.453 0.000 2.645 204 G HA2 0.061 4.010 3.960 -0.019 0.000 0.239 204 G HA3 0.061 4.010 3.960 -0.019 0.000 0.239 204 G C -0.494 174.620 174.900 0.357 0.000 1.331 204 G CA 0.889 46.187 45.100 0.329 0.000 0.890 204 G HN 1.336 nan 8.290 nan 0.000 0.572 205 R N -2.509 118.187 120.500 0.327 0.000 2.781 205 R HA 0.718 5.047 4.340 -0.019 0.000 0.269 205 R C -1.317 175.108 176.300 0.208 0.000 1.025 205 R CA -0.895 55.342 56.100 0.228 0.000 0.914 205 R CB 1.287 31.672 30.300 0.142 0.000 1.236 205 R HN 0.897 nan 8.270 nan 0.000 0.465 206 V N 0.900 120.856 119.914 0.071 0.000 2.394 206 V HA 0.361 4.470 4.120 -0.019 0.000 0.282 206 V C -0.214 175.821 176.094 -0.098 0.000 1.031 206 V CA -0.508 61.764 62.300 -0.048 0.000 0.881 206 V CB 1.249 32.975 31.823 -0.161 0.000 0.982 206 V HN 0.715 nan 8.190 nan 0.000 0.451 207 E N 3.066 123.185 120.200 -0.135 0.000 2.171 207 E HA 0.413 4.751 4.350 -0.019 0.000 0.271 207 E C -1.023 175.440 176.600 -0.229 0.000 0.916 207 E CA -0.701 55.637 56.400 -0.104 0.000 0.774 207 E CB 0.969 30.658 29.700 -0.018 0.000 1.128 207 E HN 0.717 nan 8.360 nan 0.000 0.403 208 H N 2.148 121.231 119.070 0.021 0.000 2.489 208 H HA 0.259 4.804 4.556 -0.019 0.000 0.322 208 H C 0.220 175.555 175.328 0.013 0.000 1.091 208 H CA -0.238 55.818 56.048 0.013 0.000 1.291 208 H CB 1.561 31.326 29.762 0.004 0.000 1.436 208 H HN 0.589 nan 8.280 nan 0.000 0.480 209 T N -1.133 113.487 114.554 0.110 0.000 2.762 209 T HA 0.225 4.564 4.350 -0.019 0.000 0.272 209 T C 1.258 175.996 174.700 0.064 0.000 0.982 209 T CA -0.737 61.404 62.100 0.069 0.000 1.013 209 T CB 1.024 69.915 68.868 0.039 0.000 1.309 209 T HN 0.358 nan 8.240 nan 0.000 0.572 210 S N 0.179 115.904 115.700 0.042 0.000 2.383 210 S HA -0.087 4.372 4.470 -0.019 0.000 0.227 210 S C 1.918 176.539 174.600 0.034 0.000 1.026 210 S CA 0.817 59.037 58.200 0.034 0.000 0.981 210 S CB -0.516 62.699 63.200 0.024 0.000 0.818 210 S HN 0.617 nan 8.310 nan 0.000 0.472 211 Q N 0.754 120.573 119.800 0.032 0.000 2.508 211 Q HA 0.243 4.572 4.340 -0.019 0.000 0.214 211 Q C 1.184 177.204 176.000 0.034 0.000 0.979 211 Q CA 0.714 56.534 55.803 0.029 0.000 0.911 211 Q CB -0.731 28.020 28.738 0.022 0.000 0.969 211 Q HN 0.593 nan 8.270 nan 0.000 0.504 212 G N -1.282 107.548 108.800 0.049 0.000 2.466 212 G HA2 0.065 4.014 3.960 -0.019 0.000 0.316 212 G HA3 0.065 4.014 3.960 -0.019 0.000 0.316 212 G C -0.897 174.032 174.900 0.048 0.000 1.270 212 G CA -0.583 44.556 45.100 0.065 0.000 0.982 212 G HN 0.445 nan 8.290 nan 0.000 0.506 213 A N -0.044 122.789 122.820 0.022 0.000 2.407 213 A HA 0.665 4.974 4.320 -0.019 0.000 0.248 213 A C 0.321 177.856 177.584 -0.082 0.000 1.082 213 A CA 0.416 52.383 52.037 -0.116 0.000 0.785 213 A CB 0.493 19.401 19.000 -0.154 0.000 1.020 213 A HN 0.698 nan 8.150 nan 0.000 0.489 214 K N 1.268 121.608 120.400 -0.101 0.000 2.507 214 K HA 0.153 4.461 4.320 -0.019 0.000 0.251 214 K C -1.799 174.835 176.600 0.056 0.000 0.943 214 K CA -0.243 56.035 56.287 -0.016 0.000 0.794 214 K CB 1.893 34.386 32.500 -0.012 0.000 1.188 214 K HN 0.775 nan 8.250 nan 0.000 0.428 215 W N 5.426 126.644 121.300 -0.137 0.000 2.332 215 W HA 0.338 4.987 4.660 -0.019 0.000 0.306 215 W C -0.424 176.035 176.519 -0.100 0.000 1.149 215 W CA -0.830 56.440 57.345 -0.126 0.000 1.271 215 W CB 0.093 29.461 29.460 -0.152 0.000 1.243 215 W HN 0.281 nan 8.180 nan 0.000 0.459 216 V N 2.768 122.763 119.914 0.135 0.000 3.126 216 V HA 0.604 4.712 4.120 -0.019 0.000 0.314 216 V C -0.314 175.778 176.094 -0.005 0.000 1.138 216 V CA -1.061 61.235 62.300 -0.006 0.000 1.034 216 V CB 1.931 33.770 31.823 0.027 0.000 1.075 216 V HN 0.464 nan 8.190 nan 0.000 0.442 217 D N 0.364 120.755 120.400 -0.016 0.000 2.746 217 D HA -0.127 4.501 4.640 -0.019 0.000 0.236 217 D C 0.420 176.737 176.300 0.028 0.000 1.129 217 D CA 1.548 55.559 54.000 0.018 0.000 0.691 217 D CB -1.373 39.458 40.800 0.052 0.000 1.077 217 D HN 1.339 nan 8.370 nan 0.000 0.432 218 T N -2.878 111.655 114.554 -0.035 0.000 2.922 218 T HA 0.559 4.897 4.350 -0.019 0.000 0.285 218 T C 0.432 175.185 174.700 0.088 0.000 1.005 218 T CA -0.866 61.225 62.100 -0.015 0.000 1.061 218 T CB 2.043 70.747 68.868 -0.274 0.000 1.007 218 T HN 0.035 nan 8.240 nan 0.000 0.502 219 Q N 0.762 120.680 119.800 0.197 0.000 2.293 219 Q HA 0.518 4.847 4.340 -0.019 0.000 0.251 219 Q C -0.804 175.298 176.000 0.171 0.000 0.930 219 Q CA -0.626 55.299 55.803 0.203 0.000 0.893 219 Q CB 1.358 30.286 28.738 0.316 0.000 1.215 219 Q HN 0.552 nan 8.270 nan 0.000 0.425 220 V N 3.424 123.397 119.914 0.098 0.000 2.394 220 V HA 0.348 4.457 4.120 -0.019 0.000 0.282 220 V C -0.410 175.784 176.094 0.168 0.000 1.031 220 V CA -0.589 61.703 62.300 -0.013 0.000 0.881 220 V CB 1.582 33.348 31.823 -0.095 0.000 0.982 220 V HN 0.489 nan 8.190 nan 0.000 0.451 221 V N 6.312 126.355 119.914 0.214 0.000 2.513 221 V HA 0.480 4.589 4.120 -0.019 0.000 0.299 221 V C -0.040 176.176 176.094 0.204 0.000 1.035 221 V CA -0.635 61.819 62.300 0.256 0.000 0.889 221 V CB 1.909 33.964 31.823 0.385 0.000 0.988 221 V HN 0.623 nan 8.190 nan 0.000 0.440 222 L N 3.523 124.856 121.223 0.183 0.000 2.375 222 L HA 0.738 5.067 4.340 -0.019 0.000 0.271 222 L C 0.387 177.445 176.870 0.314 0.000 1.107 222 L CA -0.349 54.595 54.840 0.174 0.000 0.806 222 L CB 1.448 43.584 42.059 0.129 0.000 1.146 222 L HN 0.757 nan 8.230 nan 0.000 0.447 223 A N 4.878 127.842 122.820 0.240 0.000 2.285 223 A HA 0.566 4.875 4.320 -0.019 0.000 0.310 223 A C -0.559 177.323 177.584 0.497 0.000 1.266 223 A CA -0.478 51.755 52.037 0.327 0.000 0.832 223 A CB 1.009 19.798 19.000 -0.352 0.000 1.163 223 A HN 0.771 nan 8.150 nan 0.000 0.499 224 M N 5.717 125.649 119.600 0.553 0.000 2.157 224 M HA 0.471 4.939 4.480 -0.019 0.000 0.354 224 M C -2.578 173.971 176.300 0.416 0.000 1.170 224 M CA -2.075 53.479 55.300 0.424 0.000 1.060 224 M CB 1.941 34.701 32.600 0.267 0.000 1.615 224 M HN 0.344 nan 8.290 nan 0.000 0.460 225 P HA 0.262 nan 4.420 nan 0.000 0.288 225 P C -1.936 175.278 177.300 -0.142 0.000 1.267 225 P CA -0.038 62.926 63.100 -0.227 0.000 0.815 225 P CB 0.533 31.928 31.700 -0.508 0.000 0.989 226 Y N 0.499 120.728 120.300 -0.119 0.000 2.341 226 Y HA 0.332 4.871 4.550 -0.019 0.000 0.338 226 Y C 0.284 176.169 175.900 -0.026 0.000 0.965 226 Y CA -0.265 57.825 58.100 -0.017 0.000 1.108 226 Y CB 1.253 39.735 38.460 0.036 0.000 1.180 226 Y HN 0.217 nan 8.280 nan 0.000 0.458 227 D N 1.935 122.448 120.400 0.187 0.000 2.193 227 D HA 0.371 5.000 4.640 -0.019 0.000 0.244 227 D C -0.601 175.929 176.300 0.382 0.000 1.064 227 D CA -0.251 53.909 54.000 0.267 0.000 0.845 227 D CB 1.669 42.659 40.800 0.317 0.000 1.148 227 D HN 0.374 nan 8.370 nan 0.000 0.464 228 T N 3.194 117.865 114.554 0.195 0.000 2.807 228 T HA 0.451 4.789 4.350 -0.019 0.000 0.279 228 T C -2.507 172.009 174.700 -0.307 0.000 0.993 228 T CA -1.518 60.585 62.100 0.006 0.000 0.970 228 T CB 1.941 70.815 68.868 0.009 0.000 0.950 228 T HN 0.156 nan 8.240 nan 0.000 0.441 229 P HA 0.243 nan 4.420 nan 0.000 0.271 229 P C -0.909 176.048 177.300 -0.572 0.000 1.216 229 P CA -0.321 62.074 63.100 -1.176 0.000 0.771 229 P CB 0.695 31.588 31.700 -1.346 0.000 0.864 230 V N 5.823 125.471 119.914 -0.443 0.000 2.284 230 V HA 0.248 4.357 4.120 -0.019 0.000 0.274 230 V C -2.018 173.945 176.094 -0.218 0.000 1.023 230 V CA -1.927 60.210 62.300 -0.272 0.000 0.808 230 V CB 1.276 32.988 31.823 -0.185 0.000 1.035 230 V HN 0.534 nan 8.190 nan 0.000 0.445 231 P HA 0.237 nan 4.420 nan 0.000 0.281 231 P C 0.426 177.676 177.300 -0.084 0.000 1.252 231 P CA 0.297 63.309 63.100 -0.147 0.000 0.778 231 P CB 1.414 33.023 31.700 -0.153 0.000 0.895 232 G N 2.520 111.289 108.800 -0.052 0.000 2.606 232 G HA2 0.093 4.042 3.960 -0.019 0.000 0.252 232 G HA3 0.093 4.042 3.960 -0.019 0.000 0.252 232 G C -1.131 173.779 174.900 0.017 0.000 1.206 232 G CA -0.476 44.622 45.100 -0.003 0.000 0.861 232 G HN 0.509 nan 8.290 nan 0.000 0.561 233 Y N 0.553 120.816 120.300 -0.062 0.000 2.531 233 Y HA 0.285 4.824 4.550 -0.019 0.000 0.347 233 Y C 1.282 177.145 175.900 -0.060 0.000 1.024 233 Y CA -0.282 57.777 58.100 -0.069 0.000 1.306 233 Y CB 0.302 38.719 38.460 -0.072 0.000 1.149 233 Y HN 0.704 nan 8.280 nan 0.000 0.527 234 R N 2.781 122.923 120.500 -0.598 0.000 3.591 234 R HA -0.322 4.006 4.340 -0.019 0.000 0.268 234 R C 0.033 176.203 176.300 -0.217 0.000 1.102 234 R CA 1.554 57.370 56.100 -0.473 0.000 0.732 234 R CB -1.851 28.037 30.300 -0.687 0.000 1.117 234 R HN 0.941 nan 8.270 nan 0.000 0.472 235 N N -1.602 117.021 118.700 -0.130 0.000 2.171 235 N HA 0.064 4.793 4.740 -0.019 0.000 0.212 235 N C -0.174 175.297 175.510 -0.064 0.000 1.184 235 N CA -0.276 52.731 53.050 -0.071 0.000 0.888 235 N CB 0.518 38.991 38.487 -0.024 0.000 1.038 235 N HN 0.077 nan 8.380 nan 0.000 0.517 236 N N -0.265 118.390 118.700 -0.074 0.000 2.713 236 N HA -0.139 4.590 4.740 -0.019 0.000 0.251 236 N C -0.934 174.546 175.510 -0.049 0.000 1.117 236 N CA 0.665 53.680 53.050 -0.060 0.000 0.770 236 N CB -1.362 37.090 38.487 -0.058 0.000 1.137 236 N HN 0.206 nan 8.380 nan 0.000 0.566 237 V N 1.200 121.091 119.914 -0.038 0.000 2.461 237 V HA 0.348 4.457 4.120 -0.019 0.000 0.275 237 V C 0.675 176.752 176.094 -0.027 0.000 1.047 237 V CA -0.411 61.877 62.300 -0.019 0.000 0.955 237 V CB 1.981 33.820 31.823 0.027 0.000 0.988 237 V HN -0.025 nan 8.190 nan 0.000 0.471 238 V N 5.576 125.481 119.914 -0.015 0.000 2.380 238 V HA 0.424 4.533 4.120 -0.019 0.000 0.286 238 V C -0.034 176.078 176.094 0.030 0.000 1.015 238 V CA -0.842 61.426 62.300 -0.053 0.000 0.834 238 V CB 1.343 33.113 31.823 -0.089 0.000 1.009 238 V HN 0.836 nan 8.190 nan 0.000 0.428 239 N N 1.992 120.673 118.700 -0.032 0.000 2.405 239 N HA 0.535 5.264 4.740 -0.019 0.000 0.269 239 N C -0.004 175.501 175.510 -0.008 0.000 1.249 239 N CA -0.274 52.770 53.050 -0.010 0.000 0.974 239 N CB 1.228 39.658 38.487 -0.094 0.000 1.204 239 N HN 0.555 nan 8.380 nan 0.000 0.565 240 T N 0.821 115.359 114.554 -0.027 0.000 2.829 240 T HA 0.388 4.727 4.350 -0.019 0.000 0.280 240 T C -0.125 174.538 174.700 -0.062 0.000 0.999 240 T CA -0.499 61.663 62.100 0.104 0.000 0.983 240 T CB 0.945 69.977 68.868 0.273 0.000 0.968 240 T HN 0.302 nan 8.240 nan 0.000 0.446 241 M N 3.964 123.503 119.600 -0.103 0.000 2.066 241 M HA 0.473 4.942 4.480 -0.019 0.000 0.340 241 M C -0.368 175.787 176.300 -0.240 0.000 1.053 241 M CA -0.737 54.415 55.300 -0.245 0.000 0.983 241 M CB 0.542 32.949 32.600 -0.322 0.000 1.520 241 M HN 0.472 nan 8.290 nan 0.000 0.428 242 R N 5.923 126.171 120.500 -0.421 0.000 2.229 242 R HA 0.590 4.918 4.340 -0.019 0.000 0.332 242 R C -1.903 174.114 176.300 -0.472 0.000 0.989 242 R CA -0.409 55.400 56.100 -0.486 0.000 0.842 242 R CB 0.776 30.633 30.300 -0.738 0.000 1.119 242 R HN 0.817 nan 8.270 nan 0.000 0.456 243 L N 5.276 126.323 121.223 -0.293 0.000 2.313 243 L HA 0.477 4.806 4.340 -0.019 0.000 0.283 243 L C -0.778 176.039 176.870 -0.088 0.000 1.013 243 L CA -0.892 53.871 54.840 -0.129 0.000 0.816 243 L CB 1.377 43.444 42.059 0.014 0.000 1.236 243 L HN 0.590 nan 8.230 nan 0.000 0.419 244 W N 2.075 123.498 121.300 0.206 0.000 2.315 244 W HA 0.470 5.118 4.660 -0.019 0.000 0.316 244 W C 0.570 177.323 176.519 0.390 0.000 1.211 244 W CA -0.131 57.359 57.345 0.242 0.000 1.201 244 W CB 1.453 30.913 29.460 0.000 0.000 1.184 244 W HN 0.345 nan 8.180 nan 0.000 0.544 245 S N 1.801 117.922 115.700 0.701 0.000 2.513 245 S HA 0.789 5.248 4.470 -0.019 0.000 0.299 245 S C -0.571 174.376 174.600 0.577 0.000 1.087 245 S CA -0.732 57.786 58.200 0.530 0.000 1.012 245 S CB 0.747 64.206 63.200 0.431 0.000 1.044 245 S HN 0.519 nan 8.310 nan 0.000 0.485 246 A N 4.659 127.650 122.820 0.286 0.000 2.320 246 A HA 0.655 4.964 4.320 -0.019 0.000 0.287 246 A C -0.131 177.514 177.584 0.102 0.000 1.181 246 A CA -0.363 51.736 52.037 0.103 0.000 0.831 246 A CB 0.382 19.175 19.000 -0.346 0.000 1.102 246 A HN 0.688 nan 8.150 nan 0.000 0.513 247 K N 1.209 121.688 120.400 0.132 0.000 2.422 247 K HA 0.626 4.935 4.320 -0.019 0.000 0.251 247 K C -0.514 176.092 176.600 0.009 0.000 0.933 247 K CA -0.526 55.798 56.287 0.062 0.000 0.798 247 K CB 2.374 34.936 32.500 0.103 0.000 1.238 247 K HN 0.824 nan 8.250 nan 0.000 0.428 248 A N 3.973 126.733 122.820 -0.099 0.000 2.354 248 A HA 0.444 4.753 4.320 -0.019 0.000 0.269 248 A C -2.132 175.445 177.584 -0.012 0.000 1.109 248 A CA -1.089 50.840 52.037 -0.180 0.000 0.800 248 A CB -0.216 18.437 19.000 -0.578 0.000 1.045 248 A HN 0.362 nan 8.150 nan 0.000 0.489 249 P HA 0.125 nan 4.420 nan 0.000 0.272 249 P C -0.035 177.355 177.300 0.150 0.000 1.240 249 P CA -0.306 62.873 63.100 0.133 0.000 0.791 249 P CB 0.654 32.451 31.700 0.161 0.000 0.978 250 N N 0.358 119.124 118.700 0.110 0.000 2.416 250 N HA -0.090 4.639 4.740 -0.019 0.000 0.177 250 N C 0.673 176.255 175.510 0.121 0.000 1.036 250 N CA 0.818 53.929 53.050 0.102 0.000 0.901 250 N CB -0.428 38.101 38.487 0.070 0.000 0.976 250 N HN 0.506 nan 8.380 nan 0.000 0.444 251 D N -0.697 119.773 120.400 0.117 0.000 2.352 251 D HA -0.079 4.550 4.640 -0.019 0.000 0.236 251 D C -0.130 176.236 176.300 0.110 0.000 1.148 251 D CA -0.545 53.514 54.000 0.097 0.000 0.844 251 D CB -1.247 39.589 40.800 0.061 0.000 0.933 251 D HN 0.085 nan 8.370 nan 0.000 0.507 252 F N 2.059 122.021 119.950 0.018 0.000 2.557 252 F HA 0.056 4.572 4.527 -0.019 0.000 0.384 252 F C 1.071 176.874 175.800 0.005 0.000 1.057 252 F CA 0.546 58.553 58.000 0.012 0.000 1.169 252 F CB -0.286 38.719 39.000 0.008 0.000 1.070 252 F HN 0.063 nan 8.300 nan 0.000 0.554 253 N N 1.701 120.117 118.700 -0.474 0.000 2.932 253 N HA -0.317 4.412 4.740 -0.019 0.000 0.227 253 N C -0.211 175.244 175.510 -0.092 0.000 0.854 253 N CA 1.100 53.973 53.050 -0.295 0.000 1.064 253 N CB -0.941 37.410 38.487 -0.226 0.000 1.029 253 N HN 0.412 nan 8.380 nan 0.000 0.619 262 Y N 1.698 122.009 120.300 0.018 0.000 2.114 262 Y HA -0.013 4.526 4.550 -0.019 0.000 0.284 262 Y C 2.769 178.687 175.900 0.031 0.000 1.143 262 Y CA 2.282 60.396 58.100 0.024 0.000 1.135 262 Y CB -0.158 38.314 38.460 0.020 0.000 0.980 262 Y HN 0.207 nan 8.280 nan 0.000 0.499 263 I N 0.640 121.168 120.570 -0.070 0.000 2.118 263 I HA -0.347 3.811 4.170 -0.019 0.000 0.241 263 I C 2.420 178.449 176.117 -0.145 0.000 1.070 263 I CA 1.989 63.196 61.300 -0.154 0.000 1.327 263 I CB -1.539 36.465 38.000 0.007 0.000 1.034 263 I HN 0.351 nan 8.210 nan 0.000 0.405 264 Q N 0.966 120.731 119.800 -0.059 0.000 2.096 264 Q HA -0.137 4.191 4.340 -0.019 0.000 0.204 264 Q C 2.246 178.229 176.000 -0.028 0.000 0.982 264 Q CA 2.303 58.088 55.803 -0.030 0.000 0.850 264 Q CB -0.404 28.333 28.738 -0.002 0.000 0.901 264 Q HN 0.490 nan 8.270 nan 0.000 0.422 265 A N -0.726 122.067 122.820 -0.046 0.000 1.917 265 A HA -0.181 4.128 4.320 -0.019 0.000 0.219 265 A C 2.269 179.857 177.584 0.007 0.000 1.182 265 A CA 1.867 53.902 52.037 -0.003 0.000 0.633 265 A CB -0.918 18.073 19.000 -0.015 0.000 0.819 265 A HN 0.280 nan 8.150 nan 0.000 0.448 266 V N 0.094 119.912 119.914 -0.159 0.000 2.358 266 V HA -0.221 3.888 4.120 -0.019 0.000 0.246 266 V C 2.497 178.541 176.094 -0.083 0.000 1.047 266 V CA 1.808 64.014 62.300 -0.157 0.000 1.035 266 V CB -0.719 30.912 31.823 -0.320 0.000 0.658 266 V HN 0.569 nan 8.190 nan 0.000 0.452 267 L N -0.237 120.944 121.223 -0.069 0.000 2.201 267 L HA -0.122 4.207 4.340 -0.019 0.000 0.212 267 L C 1.911 178.774 176.870 -0.012 0.000 1.105 267 L CA 1.138 55.954 54.840 -0.039 0.000 0.775 267 L CB -0.628 41.414 42.059 -0.029 0.000 0.913 267 L HN 0.336 nan 8.230 nan 0.000 0.440 268 D N -0.027 120.401 120.400 0.047 0.000 2.363 268 D HA -0.050 4.579 4.640 -0.019 0.000 0.226 268 D C 2.101 178.439 176.300 0.064 0.000 1.020 268 D CA 0.357 54.431 54.000 0.124 0.000 0.892 268 D CB 0.046 40.984 40.800 0.232 0.000 0.900 268 D HN 0.252 nan 8.370 nan 0.000 0.531 269 R N 0.465 120.871 120.500 -0.157 0.000 2.127 269 R HA -0.073 4.255 4.340 -0.019 0.000 0.238 269 R C 1.702 177.770 176.300 -0.388 0.000 1.134 269 R CA 0.938 56.685 56.100 -0.588 0.000 0.975 269 R CB -0.315 29.757 30.300 -0.381 0.000 0.865 269 R HN 0.327 nan 8.270 nan 0.000 0.447 270 N N 0.307 118.901 118.700 -0.177 0.000 2.258 270 N HA -0.194 4.535 4.740 -0.019 0.000 0.187 270 N C 1.168 176.628 175.510 -0.083 0.000 1.012 270 N CA 0.728 53.717 53.050 -0.101 0.000 0.870 270 N CB -0.074 38.386 38.487 -0.044 0.000 0.977 270 N HN 0.032 nan 8.380 nan 0.000 0.434 271 L N 0.852 122.035 121.223 -0.066 0.000 2.056 271 L HA -0.034 4.294 4.340 -0.019 0.000 0.207 271 L C 2.455 179.303 176.870 -0.036 0.000 1.078 271 L CA 1.242 56.080 54.840 -0.004 0.000 0.749 271 L CB -1.161 40.952 42.059 0.089 0.000 0.901 271 L HN 0.134 nan 8.230 nan 0.000 0.433 272 A N -0.684 122.069 122.820 -0.111 0.000 1.930 272 A HA -0.172 4.137 4.320 -0.019 0.000 0.217 272 A C 2.106 179.607 177.584 -0.138 0.000 1.175 272 A CA 1.398 53.367 52.037 -0.113 0.000 0.627 272 A CB -0.421 18.462 19.000 -0.195 0.000 0.815 272 A HN 0.527 nan 8.150 nan 0.000 0.443 273 E N -0.027 120.087 120.200 -0.143 0.000 2.481 273 E HA -0.056 4.283 4.350 -0.019 0.000 0.195 273 E C 1.005 177.568 176.600 -0.061 0.000 1.047 273 E CA 0.085 56.425 56.400 -0.101 0.000 0.867 273 E CB -0.130 29.521 29.700 -0.082 0.000 0.858 273 E HN 0.461 nan 8.360 nan 0.000 0.513 274 N N 1.204 119.874 118.700 -0.049 0.000 2.289 274 N HA -0.119 4.610 4.740 -0.019 0.000 0.184 274 N C 1.666 177.173 175.510 -0.004 0.000 1.016 274 N CA 0.706 53.754 53.050 -0.004 0.000 0.872 274 N CB -0.081 38.407 38.487 0.003 0.000 0.973 274 N HN 0.250 nan 8.380 nan 0.000 0.433 275 I N 0.509 121.020 120.570 -0.099 0.000 2.145 275 I HA -0.281 3.878 4.170 -0.019 0.000 0.244 275 I C 1.463 177.546 176.117 -0.056 0.000 1.075 275 I CA 1.439 62.648 61.300 -0.152 0.000 1.332 275 I CB -0.232 37.508 38.000 -0.434 0.000 1.033 275 I HN 0.149 nan 8.210 nan 0.000 0.410 276 S N -0.519 115.138 115.700 -0.071 0.000 2.583 276 S HA 0.199 4.658 4.470 -0.019 0.000 0.239 276 S C 1.419 176.145 174.600 0.210 0.000 0.966 276 S CA -0.549 57.692 58.200 0.068 0.000 0.973 276 S CB 0.273 63.497 63.200 0.039 0.000 0.794 276 S HN 0.220 nan 8.310 nan 0.000 0.463 277 R N 1.188 121.822 120.500 0.223 0.000 2.062 277 R HA 0.301 4.630 4.340 -0.019 0.000 0.226 277 R C 0.324 176.880 176.300 0.425 0.000 1.125 277 R CA 1.056 57.328 56.100 0.287 0.000 0.966 277 R CB -0.211 30.220 30.300 0.217 0.000 0.861 277 R HN 0.386 nan 8.270 nan 0.000 0.433 278 V N 0.559 120.691 119.914 0.362 0.000 2.851 278 V HA 0.357 4.466 4.120 -0.019 0.000 0.307 278 V C -1.509 174.563 176.094 -0.037 0.000 1.129 278 V CA -1.360 61.074 62.300 0.223 0.000 0.932 278 V CB 1.795 33.670 31.823 0.086 0.000 1.024 278 V HN 0.185 nan 8.190 nan 0.000 0.426 279 L N 6.862 127.820 121.223 -0.442 0.000 2.410 279 L HA 0.452 4.781 4.340 -0.019 0.000 0.273 279 L C -0.806 175.894 176.870 -0.283 0.000 1.152 279 L CA 0.439 54.796 54.840 -0.804 0.000 0.855 279 L CB 0.463 41.973 42.059 -0.915 0.000 1.129 279 L HN 0.684 nan 8.230 nan 0.000 0.463 280 Y N 6.875 127.085 120.300 -0.149 0.000 2.569 280 Y HA 0.170 4.709 4.550 -0.019 0.000 0.332 280 Y C -1.359 174.541 175.900 -0.001 0.000 1.120 280 Y CA -1.132 56.958 58.100 -0.016 0.000 1.416 280 Y CB 0.316 38.797 38.460 0.035 0.000 1.210 280 Y HN 0.576 nan 8.280 nan 0.000 0.528 281 P HA 0.026 nan 4.420 nan 0.000 0.253 281 P C -0.931 176.506 177.300 0.229 0.000 1.459 281 P CA 0.087 63.296 63.100 0.182 0.000 0.908 281 P CB 0.129 32.021 31.700 0.320 0.000 1.470 282 N N 1.421 120.270 118.700 0.248 0.000 2.408 282 N HA 0.105 4.833 4.740 -0.019 0.000 0.257 282 N C -0.508 175.158 175.510 0.261 0.000 1.064 282 N CA 0.126 53.343 53.050 0.279 0.000 0.952 282 N CB 0.852 39.553 38.487 0.357 0.000 1.093 282 N HN 0.086 nan 8.380 nan 0.000 0.490 283 D N 1.483 122.053 120.400 0.284 0.000 2.280 283 D HA 0.143 4.772 4.640 -0.019 0.000 0.243 283 D C -0.130 176.396 176.300 0.376 0.000 1.129 283 D CA -0.272 53.899 54.000 0.284 0.000 0.848 283 D CB 0.238 41.203 40.800 0.274 0.000 1.107 283 D HN 0.286 nan 8.370 nan 0.000 0.471 284 N N 2.910 121.796 118.700 0.310 0.000 2.725 284 N HA -0.257 4.472 4.740 -0.019 0.000 0.251 284 N C -1.366 174.403 175.510 0.432 0.000 1.031 284 N CA 0.771 54.001 53.050 0.300 0.000 0.720 284 N CB -0.914 37.705 38.487 0.220 0.000 0.930 284 N HN 0.394 nan 8.380 nan 0.000 0.543 285 F N 0.384 120.455 119.950 0.201 0.000 2.635 285 F HA 0.460 4.976 4.527 -0.019 0.000 0.314 285 F C -1.529 174.371 175.800 0.167 0.000 1.119 285 F CA -1.111 56.984 58.000 0.158 0.000 1.000 285 F CB 1.040 40.096 39.000 0.095 0.000 1.278 285 F HN -0.030 nan 8.300 nan 0.000 0.446 286 F N 5.759 125.299 119.950 -0.684 0.000 2.411 286 F HA 0.532 5.048 4.527 -0.019 0.000 0.352 286 F C -0.713 174.738 175.800 -0.581 0.000 1.123 286 F CA -0.183 57.514 58.000 -0.506 0.000 1.044 286 F CB 0.932 39.665 39.000 -0.445 0.000 1.135 286 F HN 0.539 nan 8.300 nan 0.000 0.461 287 E N 3.753 123.405 120.200 -0.913 0.000 2.165 287 E HA 0.306 4.644 4.350 -0.019 0.000 0.266 287 E C -0.095 175.831 176.600 -1.124 0.000 0.889 287 E CA -0.784 55.146 56.400 -0.782 0.000 0.756 287 E CB 1.576 31.166 29.700 -0.184 0.000 1.131 287 E HN 0.929 nan 8.360 nan 0.000 0.411 288 G N 4.954 113.076 108.800 -1.130 0.000 3.401 288 G HA2 0.027 3.976 3.960 -0.019 0.000 0.251 288 G HA3 0.027 3.976 3.960 -0.019 0.000 0.251 288 G C 0.060 174.939 174.900 -0.036 0.000 0.960 288 G CA -0.157 44.466 45.100 -0.796 0.000 1.900 288 G HN 0.183 nan 8.290 nan 0.000 0.645 289 K N 0.406 120.831 120.400 0.043 0.000 2.118 289 K HA 0.186 4.495 4.320 -0.019 0.000 0.267 289 K C 0.916 177.659 176.600 0.238 0.000 0.991 289 K CA -0.620 55.758 56.287 0.152 0.000 0.916 289 K CB 2.176 34.757 32.500 0.135 0.000 1.041 289 K HN 0.367 nan 8.250 nan 0.000 0.455 290 E N 1.704 122.007 120.200 0.171 0.000 2.077 290 E HA -0.190 4.149 4.350 -0.019 0.000 0.193 290 E C 1.572 178.207 176.600 0.057 0.000 0.989 290 E CA 0.937 57.390 56.400 0.088 0.000 0.800 290 E CB 0.197 29.954 29.700 0.095 0.000 0.746 290 E HN 0.387 nan 8.360 nan 0.000 0.452 291 L N 1.491 122.791 121.223 0.129 0.000 2.042 291 L HA -0.204 4.124 4.340 -0.019 0.000 0.210 291 L C 2.512 179.487 176.870 0.175 0.000 1.076 291 L CA 1.853 56.791 54.840 0.163 0.000 0.749 291 L CB -0.573 41.651 42.059 0.274 0.000 0.893 291 L HN 0.017 nan 8.230 nan 0.000 0.432 292 R N -0.701 119.855 120.500 0.093 0.000 2.066 292 R HA -0.164 4.165 4.340 -0.019 0.000 0.232 292 R C 2.144 178.495 176.300 0.086 0.000 1.131 292 R CA 1.843 57.929 56.100 -0.023 0.000 0.955 292 R CB -1.051 29.040 30.300 -0.349 0.000 0.851 292 R HN 0.382 nan 8.270 nan 0.000 0.432 293 L N 1.046 122.223 121.223 -0.077 0.000 2.079 293 L HA -0.127 4.202 4.340 -0.019 0.000 0.210 293 L C 1.699 178.527 176.870 -0.070 0.000 1.081 293 L CA 1.942 56.541 54.840 -0.401 0.000 0.752 293 L CB -0.430 41.071 42.059 -0.930 0.000 0.896 293 L HN 0.189 nan 8.230 nan 0.000 0.433 294 K N -1.094 119.321 120.400 0.024 0.000 2.097 294 K HA -0.176 4.132 4.320 -0.019 0.000 0.206 294 K C 2.064 178.845 176.600 0.301 0.000 1.049 294 K CA 1.697 58.084 56.287 0.168 0.000 0.933 294 K CB -0.154 32.295 32.500 -0.085 0.000 0.717 294 K HN 0.527 nan 8.250 nan 0.000 0.442 295 Q N 0.620 120.563 119.800 0.238 0.000 2.084 295 Q HA -0.179 4.150 4.340 -0.019 0.000 0.202 295 Q C 1.947 178.155 176.000 0.347 0.000 0.978 295 Q CA 1.359 57.355 55.803 0.321 0.000 0.844 295 Q CB -0.048 28.899 28.738 0.349 0.000 0.898 295 Q HN 0.380 nan 8.270 nan 0.000 0.426 296 E N 0.061 120.417 120.200 0.261 0.000 2.058 296 E HA -0.225 4.113 4.350 -0.019 0.000 0.194 296 E C 1.783 178.499 176.600 0.193 0.000 0.997 296 E CA 1.201 57.733 56.400 0.220 0.000 0.801 296 E CB -0.181 29.627 29.700 0.180 0.000 0.746 296 E HN 0.323 nan 8.360 nan 0.000 0.450 297 Y N 0.397 120.747 120.300 0.083 0.000 2.242 297 Y HA -0.209 4.330 4.550 -0.019 0.000 0.291 297 Y C 1.964 177.896 175.900 0.054 0.000 1.137 297 Y CA 1.044 59.142 58.100 -0.003 0.000 1.181 297 Y CB -0.358 38.057 38.460 -0.076 0.000 0.989 297 Y HN 0.023 nan 8.280 nan 0.000 0.527 298 F N -0.331 119.608 119.950 -0.019 0.000 2.069 298 F HA -0.236 4.280 4.527 -0.019 0.000 0.298 298 F C 2.471 178.130 175.800 -0.236 0.000 1.113 298 F CA 2.036 59.986 58.000 -0.085 0.000 1.214 298 F CB -1.053 38.048 39.000 0.168 0.000 0.978 298 F HN -0.064 nan 8.300 nan 0.000 0.474 299 V N -0.495 119.367 119.914 -0.086 0.000 2.427 299 V HA -0.180 3.929 4.120 -0.019 0.000 0.248 299 V C 2.166 178.103 176.094 -0.262 0.000 1.051 299 V CA 1.865 64.077 62.300 -0.147 0.000 1.048 299 V CB -0.343 31.595 31.823 0.193 0.000 0.666 299 V HN 0.262 nan 8.190 nan 0.000 0.456 300 V N 0.405 120.176 119.914 -0.238 0.000 2.307 300 V HA -0.154 3.955 4.120 -0.019 0.000 0.245 300 V C 2.792 178.633 176.094 -0.421 0.000 1.045 300 V CA 2.105 64.255 62.300 -0.250 0.000 1.024 300 V CB -0.938 30.799 31.823 -0.143 0.000 0.651 300 V HN 0.642 nan 8.190 nan 0.000 0.449 301 A N -0.237 122.163 122.820 -0.700 0.000 1.898 301 A HA -0.044 4.264 4.320 -0.019 0.000 0.216 301 A C 2.393 179.607 177.584 -0.618 0.000 1.181 301 A CA 1.898 53.519 52.037 -0.692 0.000 0.620 301 A CB -0.761 17.616 19.000 -1.039 0.000 0.819 301 A HN 0.548 nan 8.150 nan 0.000 0.442 302 A N -1.005 121.285 122.820 -0.884 0.000 1.898 302 A HA -0.065 4.244 4.320 -0.019 0.000 0.216 302 A C 2.299 179.382 177.584 -0.835 0.000 1.181 302 A CA 2.262 53.585 52.037 -1.190 0.000 0.620 302 A CB -1.198 16.428 19.000 -2.289 0.000 0.819 302 A HN 0.419 nan 8.150 nan 0.000 0.442 303 T N 0.311 114.510 114.554 -0.591 0.000 2.777 303 T HA -0.046 4.293 4.350 -0.019 0.000 0.266 303 T C 1.806 176.239 174.700 -0.445 0.000 1.040 303 T CA 1.383 63.250 62.100 -0.388 0.000 1.141 303 T CB -0.332 68.323 68.868 -0.355 0.000 0.868 303 T HN 0.338 nan 8.240 nan 0.000 0.444 304 L N 0.677 121.686 121.223 -0.357 0.000 2.093 304 L HA -0.120 4.209 4.340 -0.019 0.000 0.208 304 L C 2.861 179.615 176.870 -0.192 0.000 1.085 304 L CA 1.287 55.968 54.840 -0.266 0.000 0.755 304 L CB -0.467 41.477 42.059 -0.191 0.000 0.904 304 L HN 0.316 nan 8.230 nan 0.000 0.435 305 Q N -0.576 119.110 119.800 -0.190 0.000 2.119 305 Q HA -0.239 4.090 4.340 -0.019 0.000 0.201 305 Q C 1.741 177.707 176.000 -0.056 0.000 0.972 305 Q CA 1.650 57.392 55.803 -0.101 0.000 0.847 305 Q CB -0.096 28.576 28.738 -0.111 0.000 0.903 305 Q HN 0.382 nan 8.270 nan 0.000 0.433 306 D N 0.525 120.883 120.400 -0.071 0.000 2.117 306 D HA -0.111 4.518 4.640 -0.019 0.000 0.197 306 D C 1.628 177.874 176.300 -0.090 0.000 0.987 306 D CA 0.904 54.912 54.000 0.014 0.000 0.829 306 D CB 0.005 40.924 40.800 0.199 0.000 0.961 306 D HN 0.157 nan 8.370 nan 0.000 0.460 307 I N -0.036 120.369 120.570 -0.275 0.000 2.179 307 I HA -0.235 3.924 4.170 -0.019 0.000 0.242 307 I C 2.277 178.380 176.117 -0.025 0.000 1.088 307 I CA 0.725 61.793 61.300 -0.386 0.000 1.357 307 I CB -0.134 37.461 38.000 -0.675 0.000 1.051 307 I HN 0.041 nan 8.210 nan 0.000 0.409 308 I N 0.255 120.873 120.570 0.080 0.000 2.179 308 I HA -0.309 3.850 4.170 -0.019 0.000 0.242 308 I C 2.744 179.010 176.117 0.249 0.000 1.088 308 I CA 1.276 62.738 61.300 0.271 0.000 1.357 308 I CB -0.333 37.790 38.000 0.205 0.000 1.051 308 I HN 0.130 nan 8.210 nan 0.000 0.409 309 R N 0.934 121.513 120.500 0.133 0.000 2.112 309 R HA -0.258 4.071 4.340 -0.019 0.000 0.242 309 R C 2.483 178.843 176.300 0.101 0.000 1.137 309 R CA 1.988 58.150 56.100 0.104 0.000 0.944 309 R CB -0.326 30.014 30.300 0.067 0.000 0.857 309 R HN 0.171 nan 8.270 nan 0.000 0.435 310 R N -0.893 119.660 120.500 0.088 0.000 2.096 310 R HA -0.169 4.159 4.340 -0.019 0.000 0.235 310 R C 2.146 178.523 176.300 0.128 0.000 1.127 310 R CA 1.736 57.890 56.100 0.089 0.000 0.968 310 R CB -0.392 29.950 30.300 0.069 0.000 0.861 310 R HN 0.330 nan 8.270 nan 0.000 0.440 311 F N 1.491 121.455 119.950 0.023 0.000 2.171 311 F HA -0.129 4.387 4.527 -0.019 0.000 0.300 311 F C 1.633 177.430 175.800 -0.004 0.000 1.090 311 F CA 1.570 59.570 58.000 -0.000 0.000 1.293 311 F CB 0.063 39.095 39.000 0.054 0.000 1.013 311 F HN -0.106 nan 8.300 nan 0.000 0.486 312 K N -0.502 119.861 120.400 -0.062 0.000 2.103 312 K HA 0.006 4.315 4.320 -0.019 0.000 0.204 312 K C 1.124 177.647 176.600 -0.128 0.000 1.052 312 K CA 1.192 57.380 56.287 -0.166 0.000 0.945 312 K CB -0.277 32.230 32.500 0.012 0.000 0.722 312 K HN 0.044 nan 8.250 nan 0.000 0.443 313 S N 1.828 117.509 115.700 -0.030 0.000 3.149 313 S HA 0.081 4.540 4.470 -0.019 0.000 0.228 313 S C -0.452 174.189 174.600 0.070 0.000 1.393 313 S CA -0.511 57.709 58.200 0.034 0.000 1.224 313 S CB 0.042 63.290 63.200 0.080 0.000 1.112 313 S HN 0.258 nan 8.310 nan 0.000 0.502 314 S N 0.312 115.981 115.700 -0.052 0.000 2.548 314 S HA 0.464 4.923 4.470 -0.019 0.000 0.286 314 S C -0.613 173.917 174.600 -0.117 0.000 1.098 314 S CA -1.017 57.131 58.200 -0.087 0.000 0.930 314 S CB 1.290 64.412 63.200 -0.129 0.000 1.070 314 S HN 0.268 nan 8.310 nan 0.000 0.480 315 K N 2.079 122.365 120.400 -0.191 0.000 2.021 315 K HA 0.212 4.521 4.320 -0.019 0.000 0.238 315 K C -1.156 175.471 176.600 0.045 0.000 1.149 315 K CA 0.224 56.432 56.287 -0.132 0.000 1.105 315 K CB -0.517 31.848 32.500 -0.224 0.000 1.246 315 K HN 0.663 nan 8.250 nan 0.000 0.307 316 F N -0.262 119.584 119.950 -0.173 0.000 2.174 316 F HA 0.401 4.917 4.527 -0.019 0.000 0.234 316 F C -0.166 175.548 175.800 -0.145 0.000 1.304 316 F CA 0.186 58.094 58.000 -0.153 0.000 1.123 316 F CB 0.445 39.336 39.000 -0.182 0.000 2.117 316 F HN 0.266 nan 8.300 nan 0.000 0.133 325 N N 0.426 119.162 118.700 0.061 0.000 2.546 325 N HA 0.393 5.122 4.740 -0.019 0.000 0.238 325 N C -0.767 174.834 175.510 0.152 0.000 0.984 325 N CA -0.238 52.894 53.050 0.137 0.000 0.935 325 N CB 0.478 39.045 38.487 0.134 0.000 1.122 325 N HN 0.115 nan 8.380 nan 0.000 0.510 326 F N 1.245 121.311 119.950 0.195 0.000 2.765 326 F HA 0.135 4.650 4.527 -0.019 0.000 0.302 326 F C 1.729 177.597 175.800 0.113 0.000 1.111 326 F CA -0.192 57.877 58.000 0.115 0.000 1.359 326 F CB 0.395 39.334 39.000 -0.101 0.000 1.097 326 F HN 0.466 nan 8.300 nan 0.000 0.577 327 D N 0.489 121.044 120.400 0.259 0.000 2.144 327 D HA -0.152 4.477 4.640 -0.019 0.000 0.199 327 D C 2.252 178.667 176.300 0.193 0.000 0.984 327 D CA 1.323 55.438 54.000 0.191 0.000 0.834 327 D CB -0.078 40.815 40.800 0.156 0.000 0.955 327 D HN 0.303 nan 8.370 nan 0.000 0.465 328 A N 0.035 123.009 122.820 0.256 0.000 2.208 328 A HA -0.008 4.300 4.320 -0.019 0.000 0.209 328 A C 1.781 179.448 177.584 0.138 0.000 1.161 328 A CA -0.102 52.076 52.037 0.234 0.000 0.782 328 A CB -0.731 18.493 19.000 0.373 0.000 0.816 328 A HN 0.135 nan 8.150 nan 0.000 0.477 329 F N 1.811 121.690 119.950 -0.118 0.000 2.063 329 F HA -0.168 4.348 4.527 -0.018 0.000 0.298 329 F C -0.757 174.907 175.800 -0.228 0.000 1.109 329 F CA 2.661 60.382 58.000 -0.464 0.000 1.212 329 F CB -0.696 38.047 39.000 -0.428 0.000 0.973 329 F HN 0.200 nan 8.300 nan 0.000 0.480 330 P HA -0.091 nan 4.420 nan 0.000 0.225 330 P C 0.673 177.913 177.300 -0.101 0.000 1.148 330 P CA 1.441 64.503 63.100 -0.064 0.000 0.779 330 P CB -0.064 31.634 31.700 -0.002 0.000 0.780 331 D N -0.941 119.407 120.400 -0.087 0.000 2.289 331 D HA -0.025 4.604 4.640 -0.019 0.000 0.207 331 D C 1.615 177.827 176.300 -0.147 0.000 0.966 331 D CA 0.896 54.845 54.000 -0.085 0.000 0.868 331 D CB 0.050 40.823 40.800 -0.044 0.000 0.943 331 D HN 0.131 nan 8.370 nan 0.000 0.514 332 K N 0.039 120.313 120.400 -0.209 0.000 2.367 332 K HA 0.195 4.503 4.320 -0.019 0.000 0.195 332 K C 0.011 176.466 176.600 -0.242 0.000 1.060 332 K CA 0.153 56.312 56.287 -0.214 0.000 1.022 332 K CB 2.092 34.530 32.500 -0.105 0.000 0.894 332 K HN -0.041 nan 8.250 nan 0.000 0.540 333 V N 1.026 120.725 119.914 -0.359 0.000 2.686 333 V HA 0.578 4.686 4.120 -0.019 0.000 0.306 333 V C -1.009 174.973 176.094 -0.186 0.000 1.065 333 V CA -1.279 60.826 62.300 -0.325 0.000 0.894 333 V CB 1.760 33.104 31.823 -0.798 0.000 1.004 333 V HN 0.098 nan 8.190 nan 0.000 0.424 334 A N 5.707 128.473 122.820 -0.091 0.000 2.343 334 A HA 0.914 5.223 4.320 -0.019 0.000 0.316 334 A C -0.892 176.701 177.584 0.015 0.000 1.104 334 A CA -0.490 51.520 52.037 -0.045 0.000 0.768 334 A CB 0.948 19.860 19.000 -0.145 0.000 1.213 334 A HN 0.780 nan 8.150 nan 0.000 0.456 335 I N 2.052 122.673 120.570 0.085 0.000 2.354 335 I HA 0.270 4.428 4.170 -0.019 0.000 0.286 335 I C -0.246 175.952 176.117 0.135 0.000 1.007 335 I CA -0.555 60.810 61.300 0.109 0.000 1.167 335 I CB 1.807 39.850 38.000 0.071 0.000 1.320 335 I HN 0.710 nan 8.210 nan 0.000 0.458 336 Q N 6.915 126.798 119.800 0.138 0.000 2.303 336 Q HA 0.469 4.798 4.340 -0.019 0.000 0.257 336 Q C -1.259 174.752 176.000 0.019 0.000 0.941 336 Q CA -0.212 55.710 55.803 0.199 0.000 0.931 336 Q CB 1.204 30.179 28.738 0.395 0.000 1.215 336 Q HN 0.574 nan 8.270 nan 0.000 0.437 337 L N 3.926 125.192 121.223 0.071 0.000 2.260 337 L HA 0.372 4.701 4.340 -0.019 0.000 0.289 337 L C 0.064 176.952 176.870 0.030 0.000 1.057 337 L CA -0.699 54.167 54.840 0.043 0.000 0.811 337 L CB 0.635 42.766 42.059 0.120 0.000 1.184 337 L HN 0.586 nan 8.230 nan 0.000 0.429 338 N N 4.240 122.881 118.700 -0.099 0.000 2.508 338 N HA 0.068 4.797 4.740 -0.019 0.000 0.253 338 N C -0.182 175.353 175.510 0.041 0.000 1.145 338 N CA 0.441 53.474 53.050 -0.030 0.000 0.973 338 N CB -0.102 38.277 38.487 -0.181 0.000 1.305 338 N HN 0.601 nan 8.380 nan 0.000 0.506 339 D N -0.266 120.232 120.400 0.163 0.000 4.160 339 D HA -0.228 4.401 4.640 -0.019 0.000 0.291 339 D C 0.408 176.774 176.300 0.110 0.000 2.226 339 D CA 1.576 55.654 54.000 0.131 0.000 1.157 339 D CB -0.509 40.167 40.800 -0.206 0.000 1.020 339 D HN 0.498 nan 8.370 nan 0.000 1.219 340 T N -2.459 112.073 114.554 -0.037 0.000 3.129 340 T HA 0.080 4.419 4.350 -0.019 0.000 0.251 340 T C 1.625 176.351 174.700 0.043 0.000 1.117 340 T CA 1.583 63.654 62.100 -0.049 0.000 1.034 340 T CB -0.506 68.302 68.868 -0.100 0.000 0.968 340 T HN 0.508 nan 8.240 nan 0.000 0.526 341 H N 2.484 121.626 119.070 0.120 0.000 2.387 341 H HA 0.025 4.570 4.556 -0.019 0.000 0.299 341 H C -0.785 174.623 175.328 0.133 0.000 1.090 341 H CA 0.892 57.029 56.048 0.147 0.000 1.332 341 H CB -0.809 29.046 29.762 0.156 0.000 1.386 341 H HN 0.433 nan 8.280 nan 0.000 0.516 342 P HA 0.068 nan 4.420 nan 0.000 0.254 342 P C 0.812 178.147 177.300 0.058 0.000 1.494 342 P CA 0.398 63.569 63.100 0.118 0.000 0.961 342 P CB 0.308 32.066 31.700 0.096 0.000 1.493 343 S N 0.029 115.754 115.700 0.042 0.000 2.419 343 S HA -0.156 4.303 4.470 -0.019 0.000 0.235 343 S C 1.799 176.392 174.600 -0.012 0.000 1.019 343 S CA 0.890 59.075 58.200 -0.025 0.000 0.982 343 S CB -1.580 61.579 63.200 -0.069 0.000 0.789 343 S HN 0.152 nan 8.310 nan 0.000 0.490 344 L N 1.150 122.380 121.223 0.013 0.000 2.450 344 L HA -0.004 4.325 4.340 -0.019 0.000 0.224 344 L C 2.956 179.846 176.870 0.034 0.000 1.149 344 L CA 0.629 55.475 54.840 0.010 0.000 0.816 344 L CB -0.812 41.248 42.059 0.002 0.000 0.932 344 L HN 0.469 nan 8.230 nan 0.000 0.449 345 A N 0.595 123.420 122.820 0.009 0.000 1.986 345 A HA -0.230 4.079 4.320 -0.019 0.000 0.220 345 A C 2.183 179.759 177.584 -0.014 0.000 1.171 345 A CA 1.737 53.767 52.037 -0.012 0.000 0.640 345 A CB -0.521 18.465 19.000 -0.024 0.000 0.811 345 A HN 0.387 nan 8.150 nan 0.000 0.451 346 I N 0.126 120.688 120.570 -0.013 0.000 2.133 346 I HA -0.129 4.030 4.170 -0.019 0.000 0.238 346 I C -0.424 175.700 176.117 0.012 0.000 1.074 346 I CA 1.469 62.756 61.300 -0.021 0.000 1.342 346 I CB -0.886 37.099 38.000 -0.025 0.000 1.053 346 I HN 0.230 nan 8.210 nan 0.000 0.404 347 P HA -0.166 nan 4.420 nan 0.000 0.223 347 P C 1.243 178.581 177.300 0.063 0.000 1.151 347 P CA 1.425 64.563 63.100 0.064 0.000 0.787 347 P CB 0.030 31.794 31.700 0.106 0.000 0.788 348 E N 0.167 120.456 120.200 0.149 0.000 2.072 348 E HA -0.138 4.200 4.350 -0.019 0.000 0.190 348 E C 1.901 178.491 176.600 -0.016 0.000 0.982 348 E CA 0.593 57.097 56.400 0.174 0.000 0.803 348 E CB -1.163 28.684 29.700 0.245 0.000 0.755 348 E HN -0.022 nan 8.360 nan 0.000 0.453 349 L N 0.100 121.282 121.223 -0.070 0.000 2.046 349 L HA -0.117 4.212 4.340 -0.019 0.000 0.208 349 L C 2.083 178.813 176.870 -0.234 0.000 1.077 349 L CA 1.811 56.552 54.840 -0.165 0.000 0.747 349 L CB -0.610 41.353 42.059 -0.160 0.000 0.896 349 L HN 0.245 nan 8.230 nan 0.000 0.432 350 M N -0.767 118.708 119.600 -0.209 0.000 2.080 350 M HA -0.240 4.228 4.480 -0.019 0.000 0.260 350 M C 2.447 178.586 176.300 -0.269 0.000 1.068 350 M CA 1.667 56.793 55.300 -0.290 0.000 1.109 350 M CB -1.268 31.140 32.600 -0.320 0.000 1.342 350 M HN 0.331 nan 8.290 nan 0.000 0.405 351 R N 0.060 120.429 120.500 -0.217 0.000 2.096 351 R HA -0.152 4.177 4.340 -0.019 0.000 0.240 351 R C 2.109 178.305 176.300 -0.174 0.000 1.139 351 R CA 1.852 57.824 56.100 -0.213 0.000 0.952 351 R CB -0.244 29.882 30.300 -0.290 0.000 0.854 351 R HN 0.217 nan 8.270 nan 0.000 0.436 352 V N 1.449 121.260 119.914 -0.172 0.000 2.261 352 V HA -0.275 3.834 4.120 -0.019 0.000 0.246 352 V C 2.479 178.411 176.094 -0.269 0.000 1.047 352 V CA 1.861 64.052 62.300 -0.181 0.000 1.015 352 V CB -0.482 31.233 31.823 -0.181 0.000 0.642 352 V HN 0.362 nan 8.190 nan 0.000 0.446 353 L N -0.508 120.488 121.223 -0.380 0.000 2.042 353 L HA -0.186 4.143 4.340 -0.019 0.000 0.210 353 L C 2.408 179.087 176.870 -0.319 0.000 1.076 353 L CA 1.446 55.992 54.840 -0.490 0.000 0.749 353 L CB -0.616 41.115 42.059 -0.547 0.000 0.893 353 L HN 0.235 nan 8.230 nan 0.000 0.432 354 V N -0.712 119.061 119.914 -0.235 0.000 2.331 354 V HA -0.172 3.937 4.120 -0.019 0.000 0.242 354 V C 1.912 177.959 176.094 -0.078 0.000 1.034 354 V CA 1.631 63.853 62.300 -0.129 0.000 1.027 354 V CB -0.279 31.495 31.823 -0.082 0.000 0.667 354 V HN 0.349 nan 8.190 nan 0.000 0.457 355 D N -0.263 120.086 120.400 -0.085 0.000 2.194 355 D HA 0.026 4.655 4.640 -0.019 0.000 0.204 355 D C 2.005 178.275 176.300 -0.050 0.000 0.964 355 D CA 1.006 54.974 54.000 -0.053 0.000 0.846 355 D CB 0.184 40.950 40.800 -0.057 0.000 0.962 355 D HN 0.309 nan 8.370 nan 0.000 0.490 356 L N 0.175 121.353 121.223 -0.075 0.000 2.362 356 L HA 0.120 4.449 4.340 -0.019 0.000 0.204 356 L C 1.687 178.527 176.870 -0.049 0.000 1.060 356 L CA 0.538 55.346 54.840 -0.054 0.000 0.827 356 L CB 0.164 42.190 42.059 -0.054 0.000 1.027 356 L HN -0.163 nan 8.230 nan 0.000 0.474 357 E N 0.169 120.307 120.200 -0.102 0.000 2.474 357 E HA 0.066 4.405 4.350 -0.019 0.000 0.195 357 E C 0.098 176.663 176.600 -0.058 0.000 1.039 357 E CA -0.120 56.232 56.400 -0.081 0.000 0.881 357 E CB 0.499 30.063 29.700 -0.227 0.000 0.970 357 E HN 0.178 nan 8.360 nan 0.000 0.486 358 R N -0.075 120.387 120.500 -0.063 0.000 3.878 358 R HA -0.180 4.148 4.340 -0.019 0.000 0.330 358 R C -0.321 175.965 176.300 -0.023 0.000 1.186 358 R CA 0.263 56.347 56.100 -0.026 0.000 0.885 358 R CB -2.561 27.741 30.300 0.005 0.000 1.377 358 R HN 0.106 nan 8.270 nan 0.000 0.523 359 L N 2.111 123.292 121.223 -0.070 0.000 2.417 359 L HA 0.110 4.439 4.340 -0.019 0.000 0.268 359 L C 1.444 178.305 176.870 -0.015 0.000 1.158 359 L CA 0.358 55.166 54.840 -0.052 0.000 0.819 359 L CB 0.374 42.357 42.059 -0.128 0.000 1.112 359 L HN 0.109 nan 8.230 nan 0.000 0.458 360 D N 1.663 122.081 120.400 0.029 0.000 2.382 360 D HA -0.157 4.471 4.640 -0.019 0.000 0.240 360 D C 0.965 177.334 176.300 0.116 0.000 1.146 360 D CA -0.484 53.568 54.000 0.087 0.000 0.897 360 D CB 0.703 41.559 40.800 0.094 0.000 1.197 360 D HN 0.653 nan 8.370 nan 0.000 0.432 361 W N 2.665 123.967 121.300 0.003 0.000 2.304 361 W HA -0.244 4.405 4.660 -0.019 0.000 0.315 361 W C 0.964 177.524 176.519 0.068 0.000 1.233 361 W CA 1.905 59.258 57.345 0.013 0.000 1.261 361 W CB -0.235 29.214 29.460 -0.018 0.000 1.150 361 W HN 0.500 nan 8.180 nan 0.000 0.494 362 D N 0.111 120.706 120.400 0.325 0.000 2.144 362 D HA -0.163 4.465 4.640 -0.019 0.000 0.200 362 D C 1.927 178.334 176.300 0.179 0.000 0.978 362 D CA 1.767 55.942 54.000 0.291 0.000 0.833 362 D CB -0.300 40.646 40.800 0.243 0.000 0.961 362 D HN 0.110 nan 8.370 nan 0.000 0.470 363 K N 1.141 121.602 120.400 0.101 0.000 2.057 363 K HA -0.008 4.300 4.320 -0.019 0.000 0.206 363 K C 1.871 178.465 176.600 -0.011 0.000 1.050 363 K CA 1.385 57.705 56.287 0.055 0.000 0.935 363 K CB -0.377 32.149 32.500 0.045 0.000 0.715 363 K HN -0.016 nan 8.250 nan 0.000 0.439 364 A N 0.837 123.605 122.820 -0.086 0.000 1.883 364 A HA -0.208 4.101 4.320 -0.019 0.000 0.217 364 A C 2.217 179.702 177.584 -0.165 0.000 1.186 364 A CA 1.579 53.494 52.037 -0.203 0.000 0.624 364 A CB -1.299 17.512 19.000 -0.316 0.000 0.822 364 A HN 0.725 nan 8.150 nan 0.000 0.444 365 W N 0.615 121.708 121.300 -0.344 0.000 2.363 365 W HA -0.165 4.484 4.660 -0.018 0.000 0.296 365 W C 1.960 178.422 176.519 -0.094 0.000 1.212 365 W CA 1.899 59.091 57.345 -0.255 0.000 1.260 365 W CB -0.104 29.237 29.460 -0.198 0.000 1.131 365 W HN 0.604 nan 8.180 nan 0.000 0.530 366 E N 0.037 120.227 120.200 -0.017 0.000 2.072 366 E HA -0.194 4.145 4.350 -0.019 0.000 0.191 366 E C 2.081 178.611 176.600 -0.117 0.000 0.985 366 E CA 1.552 57.911 56.400 -0.068 0.000 0.801 366 E CB -0.220 29.505 29.700 0.040 0.000 0.750 366 E HN 0.056 nan 8.360 nan 0.000 0.452 367 V N 0.774 120.633 119.914 -0.092 0.000 2.343 367 V HA -0.260 3.849 4.120 -0.019 0.000 0.247 367 V C 2.364 178.391 176.094 -0.111 0.000 1.051 367 V CA 2.166 64.425 62.300 -0.068 0.000 1.036 367 V CB -0.726 31.046 31.823 -0.085 0.000 0.654 367 V HN 0.355 nan 8.190 nan 0.000 0.451 368 T N -0.089 114.322 114.554 -0.238 0.000 2.701 368 T HA -0.157 4.182 4.350 -0.019 0.000 0.263 368 T C 1.982 176.502 174.700 -0.300 0.000 1.040 368 T CA 1.697 63.631 62.100 -0.277 0.000 1.147 368 T CB -0.258 68.389 68.868 -0.367 0.000 0.865 368 T HN 0.254 nan 8.240 nan 0.000 0.426 369 V N 1.577 121.189 119.914 -0.502 0.000 2.282 369 V HA -0.214 3.895 4.120 -0.019 0.000 0.249 369 V C 2.341 178.386 176.094 -0.081 0.000 1.057 369 V CA 1.733 63.806 62.300 -0.380 0.000 1.032 369 V CB -0.497 31.034 31.823 -0.486 0.000 0.645 369 V HN 0.476 nan 8.190 nan 0.000 0.447 370 K N -0.673 119.668 120.400 -0.098 0.000 2.365 370 K HA -0.072 4.237 4.320 -0.019 0.000 0.199 370 K C 2.022 178.606 176.600 -0.027 0.000 1.045 370 K CA 1.392 57.617 56.287 -0.104 0.000 0.962 370 K CB -0.159 32.274 32.500 -0.113 0.000 0.759 370 K HN 0.496 nan 8.250 nan 0.000 0.469 371 T N 0.137 114.719 114.554 0.045 0.000 2.976 371 T HA 0.024 4.363 4.350 -0.019 0.000 0.257 371 T C 0.908 175.701 174.700 0.156 0.000 1.051 371 T CA 0.372 62.531 62.100 0.098 0.000 1.141 371 T CB 0.122 69.081 68.868 0.152 0.000 0.881 371 T HN 0.162 nan 8.240 nan 0.000 0.461 372 C N 2.312 121.687 119.300 0.126 0.000 2.365 372 C HA 0.897 5.346 4.460 -0.019 0.000 0.351 372 C C 0.586 175.633 174.990 0.097 0.000 1.240 372 C CA -1.245 57.831 59.018 0.095 0.000 2.062 372 C CB 0.196 27.933 27.740 -0.004 0.000 2.387 372 C HN 0.596 nan 8.230 nan 0.000 0.537 373 A N 1.949 124.824 122.820 0.093 0.000 2.498 373 A HA 0.797 5.106 4.320 -0.019 0.000 0.298 373 A C -1.617 176.041 177.584 0.123 0.000 1.075 373 A CA -0.437 51.608 52.037 0.013 0.000 0.714 373 A CB 1.121 20.131 19.000 0.017 0.000 1.299 373 A HN 0.947 nan 8.150 nan 0.000 0.407 374 Y N 0.789 121.039 120.300 -0.082 0.000 2.391 374 Y HA 0.629 5.168 4.550 -0.018 0.000 0.341 374 Y C -0.635 175.242 175.900 -0.039 0.000 0.965 374 Y CA -0.350 57.708 58.100 -0.070 0.000 1.067 374 Y CB 2.168 40.540 38.460 -0.147 0.000 1.199 374 Y HN 0.562 nan 8.280 nan 0.000 0.450 375 T N 6.403 120.696 114.554 -0.436 0.000 2.809 375 T HA 0.174 4.513 4.350 -0.019 0.000 0.296 375 T C -0.734 173.494 174.700 -0.787 0.000 1.015 375 T CA -0.788 61.018 62.100 -0.491 0.000 0.954 375 T CB 0.298 69.111 68.868 -0.091 0.000 0.950 375 T HN 0.631 nan 8.240 nan 0.000 0.450 376 N N 1.840 120.055 118.700 -0.809 0.000 2.518 376 N HA 0.099 4.828 4.740 -0.019 0.000 0.283 376 N C 0.168 175.553 175.510 -0.207 0.000 1.119 376 N CA -0.166 52.658 53.050 -0.377 0.000 0.983 376 N CB 0.726 39.172 38.487 -0.069 0.000 1.139 376 N HN 0.638 nan 8.380 nan 0.000 0.465 377 H N 0.804 119.878 119.070 0.008 0.000 2.986 377 H HA 0.154 4.699 4.556 -0.019 0.000 0.267 377 H C -0.184 175.054 175.328 -0.151 0.000 1.072 377 H CA 0.147 56.152 56.048 -0.072 0.000 1.202 377 H CB 1.103 30.836 29.762 -0.049 0.000 1.535 377 H HN 0.555 nan 8.280 nan 0.000 0.522 378 T N 0.034 114.615 114.554 0.045 0.000 2.886 378 T HA 0.223 4.562 4.350 -0.019 0.000 0.330 378 T C 0.501 175.229 174.700 0.048 0.000 1.488 378 T CA -0.331 61.751 62.100 -0.029 0.000 1.054 378 T CB 1.189 70.028 68.868 -0.048 0.000 1.348 378 T HN -0.060 nan 8.240 nan 0.000 0.489 379 V N 2.012 121.921 119.914 -0.009 0.000 3.643 379 V HA 0.537 4.646 4.120 -0.019 0.000 0.280 379 V C 0.925 176.979 176.094 -0.067 0.000 1.351 379 V CA -0.067 62.209 62.300 -0.040 0.000 1.073 379 V CB -0.441 31.355 31.823 -0.045 0.000 0.863 379 V HN 0.743 nan 8.190 nan 0.000 0.436 380 L N 3.085 124.257 121.223 -0.086 0.000 2.584 380 L HA 0.126 4.455 4.340 -0.019 0.000 0.272 380 L C -0.480 176.382 176.870 -0.014 0.000 1.195 380 L CA -0.619 54.192 54.840 -0.049 0.000 0.920 380 L CB 0.765 42.775 42.059 -0.081 0.000 1.173 380 L HN 0.189 nan 8.230 nan 0.000 0.489 381 P HA -0.214 nan 4.420 nan 0.000 0.216 381 P C 0.996 178.289 177.300 -0.011 0.000 1.150 381 P CA 1.287 64.381 63.100 -0.011 0.000 0.837 381 P CB 0.038 31.738 31.700 0.001 0.000 0.786 382 E N 0.262 120.480 120.200 0.029 0.000 2.482 382 E HA -0.016 4.323 4.350 -0.019 0.000 0.196 382 E C 1.599 178.156 176.600 -0.072 0.000 1.047 382 E CA 0.854 57.247 56.400 -0.012 0.000 0.869 382 E CB -0.670 29.099 29.700 0.114 0.000 0.836 382 E HN 0.172 nan 8.360 nan 0.000 0.520 383 A N 1.252 124.079 122.820 0.012 0.000 2.178 383 A HA 0.201 4.510 4.320 -0.019 0.000 0.211 383 A C 1.360 178.929 177.584 -0.026 0.000 1.157 383 A CA -0.215 51.846 52.037 0.040 0.000 0.780 383 A CB -0.063 18.984 19.000 0.077 0.000 0.828 383 A HN 0.178 nan 8.150 nan 0.000 0.476 384 L N 1.593 122.756 121.223 -0.100 0.000 2.410 384 L HA 0.120 4.449 4.340 -0.019 0.000 0.273 384 L C -0.137 176.401 176.870 -0.554 0.000 1.152 384 L CA 0.002 54.714 54.840 -0.213 0.000 0.855 384 L CB 0.673 42.637 42.059 -0.159 0.000 1.129 384 L HN 0.389 nan 8.230 nan 0.000 0.463 385 E N 4.405 124.152 120.200 -0.754 0.000 2.180 385 E HA 0.219 4.557 4.350 -0.019 0.000 0.283 385 E C -0.598 175.371 176.600 -1.053 0.000 1.061 385 E CA -0.193 55.281 56.400 -1.544 0.000 0.861 385 E CB 0.766 29.883 29.700 -0.973 0.000 1.056 385 E HN 0.378 nan 8.360 nan 0.000 0.407 386 R N 3.567 123.386 120.500 -1.134 0.000 2.472 386 R HA 0.200 4.529 4.340 -0.019 0.000 0.294 386 R C -1.309 174.856 176.300 -0.225 0.000 1.243 386 R CA -0.522 55.317 56.100 -0.435 0.000 1.023 386 R CB 0.825 30.995 30.300 -0.217 0.000 1.157 386 R HN 0.452 nan 8.270 nan 0.000 0.530 387 W N 4.672 125.948 121.300 -0.040 0.000 2.311 387 W HA 0.275 4.924 4.660 -0.019 0.000 0.310 387 W C -1.872 174.636 176.519 -0.019 0.000 1.274 387 W CA -2.140 55.229 57.345 0.040 0.000 1.215 387 W CB 0.730 30.186 29.460 -0.008 0.000 1.227 387 W HN 0.263 nan 8.180 nan 0.000 0.523 388 P HA -0.094 nan 4.420 nan 0.000 0.264 388 P C 0.813 178.073 177.300 -0.067 0.000 1.193 388 P CA 0.226 63.333 63.100 0.011 0.000 0.763 388 P CB 0.762 32.344 31.700 -0.196 0.000 0.810 389 V N 3.554 123.473 119.914 0.009 0.000 2.287 389 V HA -0.298 3.811 4.120 -0.019 0.000 0.248 389 V C 2.174 178.276 176.094 0.014 0.000 1.053 389 V CA 2.620 64.943 62.300 0.038 0.000 1.027 389 V CB -1.698 30.207 31.823 0.137 0.000 0.646 389 V HN 0.770 nan 8.190 nan 0.000 0.447 390 H N -0.906 118.226 119.070 0.103 0.000 2.421 390 H HA -0.124 4.421 4.556 -0.019 0.000 0.298 390 H C 2.041 177.421 175.328 0.087 0.000 1.087 390 H CA 1.775 57.878 56.048 0.092 0.000 1.330 390 H CB -0.691 29.125 29.762 0.090 0.000 1.388 390 H HN 0.353 nan 8.280 nan 0.000 0.526 391 L N 0.044 121.093 121.223 -0.289 0.000 2.017 391 L HA -0.131 4.198 4.340 -0.019 0.000 0.208 391 L C 2.443 179.263 176.870 -0.083 0.000 1.073 391 L CA 1.155 55.932 54.840 -0.105 0.000 0.745 391 L CB -0.293 41.695 42.059 -0.118 0.000 0.894 391 L HN 0.337 nan 8.230 nan 0.000 0.432 392 L N -0.772 120.384 121.223 -0.111 0.000 2.201 392 L HA -0.201 4.128 4.340 -0.019 0.000 0.212 392 L C 2.485 179.302 176.870 -0.089 0.000 1.105 392 L CA 0.933 55.687 54.840 -0.144 0.000 0.775 392 L CB -0.326 41.641 42.059 -0.154 0.000 0.913 392 L HN 0.326 nan 8.230 nan 0.000 0.440 393 E N -0.448 119.746 120.200 -0.010 0.000 2.072 393 E HA -0.179 4.160 4.350 -0.019 0.000 0.191 393 E C 1.936 178.577 176.600 0.069 0.000 0.985 393 E CA 1.745 58.168 56.400 0.040 0.000 0.801 393 E CB 0.192 29.952 29.700 0.101 0.000 0.750 393 E HN 0.433 nan 8.360 nan 0.000 0.452 394 T N 1.096 115.713 114.554 0.105 0.000 2.732 394 T HA -0.115 4.224 4.350 -0.019 0.000 0.261 394 T C 1.775 176.581 174.700 0.177 0.000 1.040 394 T CA 0.753 62.966 62.100 0.189 0.000 1.145 394 T CB -0.182 68.831 68.868 0.242 0.000 0.866 394 T HN 0.058 nan 8.240 nan 0.000 0.427 395 L N 0.008 121.236 121.223 0.009 0.000 2.095 395 L HA 0.326 4.655 4.340 -0.019 0.000 0.204 395 L C 0.530 177.336 176.870 -0.108 0.000 1.080 395 L CA 1.638 56.363 54.840 -0.192 0.000 0.759 395 L CB -0.096 41.827 42.059 -0.228 0.000 0.914 395 L HN 0.195 nan 8.230 nan 0.000 0.439 396 L N 0.544 121.668 121.223 -0.165 0.000 2.625 396 L HA 0.287 4.616 4.340 -0.019 0.000 0.255 396 L C -1.713 174.971 176.870 -0.310 0.000 1.493 396 L CA -0.943 53.714 54.840 -0.306 0.000 0.796 396 L CB 0.819 42.558 42.059 -0.533 0.000 1.064 396 L HN -0.037 nan 8.230 nan 0.000 0.516 397 P HA -0.184 nan 4.420 nan 0.000 0.216 397 P C 1.513 178.622 177.300 -0.320 0.000 1.153 397 P CA 1.070 64.048 63.100 -0.203 0.000 0.848 397 P CB 0.362 32.015 31.700 -0.079 0.000 0.787 398 R N 0.062 120.181 120.500 -0.634 0.000 2.081 398 R HA -0.166 4.163 4.340 -0.019 0.000 0.235 398 R C 2.280 178.281 176.300 -0.499 0.000 1.131 398 R CA 1.793 57.524 56.100 -0.615 0.000 0.960 398 R CB -1.780 27.969 30.300 -0.917 0.000 0.856 398 R HN 0.262 nan 8.270 nan 0.000 0.436 399 H N -0.335 118.425 119.070 -0.517 0.000 2.387 399 H HA -0.051 4.494 4.556 -0.019 0.000 0.299 399 H C 1.820 176.985 175.328 -0.270 0.000 1.090 399 H CA 1.549 57.382 56.048 -0.358 0.000 1.332 399 H CB -0.122 29.395 29.762 -0.409 0.000 1.386 399 H HN 0.090 nan 8.280 nan 0.000 0.516 400 L N 0.505 121.624 121.223 -0.174 0.000 2.046 400 L HA -0.257 4.071 4.340 -0.019 0.000 0.208 400 L C 1.868 178.597 176.870 -0.234 0.000 1.077 400 L CA 1.657 56.349 54.840 -0.246 0.000 0.747 400 L CB -0.300 41.650 42.059 -0.181 0.000 0.896 400 L HN 0.444 nan 8.230 nan 0.000 0.432 401 Q N -0.325 119.434 119.800 -0.068 0.000 2.050 401 Q HA -0.232 4.096 4.340 -0.019 0.000 0.202 401 Q C 2.186 178.220 176.000 0.058 0.000 0.980 401 Q CA 1.669 57.515 55.803 0.071 0.000 0.840 401 Q CB -0.092 28.674 28.738 0.048 0.000 0.898 401 Q HN 0.535 nan 8.270 nan 0.000 0.424 402 I N 0.457 121.035 120.570 0.013 0.000 2.226 402 I HA -0.301 3.858 4.170 -0.019 0.000 0.245 402 I C 2.156 178.347 176.117 0.123 0.000 1.100 402 I CA 1.108 62.489 61.300 0.136 0.000 1.374 402 I CB -0.185 37.844 38.000 0.047 0.000 1.057 402 I HN 0.213 nan 8.210 nan 0.000 0.413 403 I N -0.423 120.132 120.570 -0.025 0.000 2.163 403 I HA -0.350 3.809 4.170 -0.019 0.000 0.243 403 I C 2.451 178.541 176.117 -0.044 0.000 1.085 403 I CA 1.650 62.905 61.300 -0.075 0.000 1.347 403 I CB -0.471 37.412 38.000 -0.196 0.000 1.044 403 I HN 0.148 nan 8.210 nan 0.000 0.408 404 Y N 0.762 121.071 120.300 0.015 0.000 2.128 404 Y HA -0.306 4.233 4.550 -0.019 0.000 0.284 404 Y C 2.617 178.486 175.900 -0.052 0.000 1.154 404 Y CA 1.747 59.841 58.100 -0.011 0.000 1.149 404 Y CB -0.835 37.611 38.460 -0.024 0.000 0.976 404 Y HN 0.188 nan 8.280 nan 0.000 0.505 405 E N 0.379 120.620 120.200 0.068 0.000 2.077 405 E HA -0.158 4.181 4.350 -0.019 0.000 0.193 405 E C 2.053 178.572 176.600 -0.136 0.000 0.989 405 E CA 1.345 57.643 56.400 -0.171 0.000 0.800 405 E CB -0.542 28.902 29.700 -0.427 0.000 0.746 405 E HN 0.491 nan 8.360 nan 0.000 0.452 406 I N 0.541 121.146 120.570 0.058 0.000 2.179 406 I HA -0.286 3.873 4.170 -0.019 0.000 0.242 406 I C 2.303 178.421 176.117 0.002 0.000 1.088 406 I CA 1.362 62.658 61.300 -0.006 0.000 1.357 406 I CB -0.415 37.599 38.000 0.022 0.000 1.051 406 I HN 0.205 nan 8.210 nan 0.000 0.409 407 N N 0.681 119.423 118.700 0.070 0.000 2.043 407 N HA -0.273 4.456 4.740 -0.019 0.000 0.193 407 N C 1.880 177.480 175.510 0.150 0.000 1.037 407 N CA 1.650 54.786 53.050 0.144 0.000 0.851 407 N CB -0.213 38.374 38.487 0.166 0.000 1.027 407 N HN 0.281 nan 8.380 nan 0.000 0.422 408 Q N 0.123 119.963 119.800 0.067 0.000 2.030 408 Q HA -0.159 4.170 4.340 -0.019 0.000 0.204 408 Q C 2.035 178.028 176.000 -0.013 0.000 0.986 408 Q CA 1.572 57.382 55.803 0.011 0.000 0.843 408 Q CB -0.065 28.641 28.738 -0.053 0.000 0.904 408 Q HN 0.429 nan 8.270 nan 0.000 0.420 409 R N -0.786 119.680 120.500 -0.057 0.000 2.120 409 R HA -0.137 4.191 4.340 -0.019 0.000 0.234 409 R C 2.141 178.458 176.300 0.028 0.000 1.123 409 R CA 1.282 57.340 56.100 -0.070 0.000 0.975 409 R CB -0.323 29.880 30.300 -0.163 0.000 0.866 409 R HN 0.266 nan 8.270 nan 0.000 0.446 410 F N 1.225 121.141 119.950 -0.056 0.000 2.128 410 F HA -0.052 4.463 4.527 -0.019 0.000 0.295 410 F C 1.803 177.615 175.800 0.020 0.000 1.100 410 F CA 1.204 59.214 58.000 0.016 0.000 1.260 410 F CB -0.124 38.915 39.000 0.065 0.000 1.009 410 F HN -0.129 nan 8.300 nan 0.000 0.476 411 L N 0.140 121.372 121.223 0.014 0.000 2.191 411 L HA -0.231 4.098 4.340 -0.019 0.000 0.212 411 L C 1.881 178.686 176.870 -0.108 0.000 1.103 411 L CA 1.519 56.311 54.840 -0.080 0.000 0.769 411 L CB -0.886 41.187 42.059 0.023 0.000 0.908 411 L HN 0.266 nan 8.230 nan 0.000 0.438 412 N N -0.179 118.473 118.700 -0.079 0.000 2.244 412 N HA -0.157 4.572 4.740 -0.019 0.000 0.183 412 N C 1.902 177.357 175.510 -0.092 0.000 1.016 412 N CA 0.683 53.689 53.050 -0.074 0.000 0.866 412 N CB 0.008 38.459 38.487 -0.060 0.000 0.980 412 N HN 0.257 nan 8.380 nan 0.000 0.430 413 R N 0.425 120.846 120.500 -0.131 0.000 2.090 413 R HA -0.008 4.321 4.340 -0.019 0.000 0.228 413 R C 2.083 178.282 176.300 -0.168 0.000 1.110 413 R CA 0.658 56.674 56.100 -0.139 0.000 0.973 413 R CB -0.069 30.149 30.300 -0.137 0.000 0.869 413 R HN 0.063 nan 8.270 nan 0.000 0.440 414 V N 0.563 120.327 119.914 -0.251 0.000 2.323 414 V HA -0.188 3.921 4.120 -0.019 0.000 0.244 414 V C 2.359 178.454 176.094 0.002 0.000 1.041 414 V CA 1.900 64.118 62.300 -0.138 0.000 1.025 414 V CB -0.748 30.916 31.823 -0.266 0.000 0.656 414 V HN 0.392 nan 8.190 nan 0.000 0.451 415 A N 0.238 123.031 122.820 -0.045 0.000 1.917 415 A HA -0.195 4.113 4.320 -0.019 0.000 0.219 415 A C 2.382 179.952 177.584 -0.024 0.000 1.182 415 A CA 2.389 54.416 52.037 -0.017 0.000 0.633 415 A CB -0.793 18.187 19.000 -0.033 0.000 0.819 415 A HN 0.601 nan 8.150 nan 0.000 0.448 416 A N -0.724 122.063 122.820 -0.054 0.000 1.968 416 A HA 0.288 4.597 4.320 -0.019 0.000 0.217 416 A C 2.380 179.890 177.584 -0.122 0.000 1.169 416 A CA 1.783 53.777 52.037 -0.073 0.000 0.638 416 A CB -0.680 18.278 19.000 -0.069 0.000 0.812 416 A HN 1.016 nan 8.150 nan 0.000 0.446 417 A N -1.724 120.993 122.820 -0.170 0.000 2.021 417 A HA 0.402 4.711 4.320 -0.019 0.000 0.216 417 A C 0.394 177.578 177.584 -0.668 0.000 1.163 417 A CA 0.444 52.228 52.037 -0.422 0.000 0.676 417 A CB -0.120 18.581 19.000 -0.500 0.000 0.818 417 A HN 0.408 nan 8.150 nan 0.000 0.453 418 F N 0.257 120.159 119.950 -0.079 0.000 2.622 418 F HA 0.355 4.871 4.527 -0.019 0.000 0.338 418 F C -2.788 172.974 175.800 -0.062 0.000 1.334 418 F CA -2.693 55.265 58.000 -0.069 0.000 1.179 418 F CB 0.989 39.941 39.000 -0.081 0.000 1.471 418 F HN -0.058 nan 8.300 nan 0.000 0.576 419 P HA 0.245 nan 4.420 nan 0.000 0.271 419 P C 1.030 178.351 177.300 0.035 0.000 1.216 419 P CA 0.742 63.856 63.100 0.023 0.000 0.776 419 P CB 1.165 32.859 31.700 -0.010 0.000 0.881 420 G N 1.997 110.809 108.800 0.020 0.000 2.328 420 G HA2 -0.270 3.678 3.960 -0.019 0.000 0.256 420 G HA3 -0.270 3.678 3.960 -0.019 0.000 0.256 420 G C 0.460 175.370 174.900 0.016 0.000 1.014 420 G CA 0.197 45.306 45.100 0.014 0.000 0.620 420 G HN 0.611 nan 8.290 nan 0.000 0.530 421 D N 1.685 122.104 120.400 0.031 0.000 2.541 421 D HA 0.327 4.956 4.640 -0.019 0.000 0.231 421 D C 2.127 178.415 176.300 -0.020 0.000 1.163 421 D CA 0.569 54.571 54.000 0.004 0.000 1.077 421 D CB 0.309 41.109 40.800 0.001 0.000 1.110 421 D HN 0.625 nan 8.370 nan 0.000 0.499 422 V N 0.581 120.485 119.914 -0.015 0.000 2.548 422 V HA -0.124 3.985 4.120 -0.019 0.000 0.249 422 V C 1.827 177.907 176.094 -0.023 0.000 1.055 422 V CA 1.311 63.601 62.300 -0.016 0.000 1.065 422 V CB -0.414 31.404 31.823 -0.008 0.000 0.681 422 V HN 0.193 nan 8.190 nan 0.000 0.462 423 D N 0.365 120.748 120.400 -0.028 0.000 2.144 423 D HA -0.151 4.478 4.640 -0.019 0.000 0.200 423 D C 2.332 178.602 176.300 -0.051 0.000 0.978 423 D CA 1.242 55.225 54.000 -0.028 0.000 0.833 423 D CB -0.184 40.601 40.800 -0.024 0.000 0.961 423 D HN 0.398 nan 8.370 nan 0.000 0.470 424 R N -0.093 120.352 120.500 -0.092 0.000 2.083 424 R HA -0.135 4.194 4.340 -0.019 0.000 0.237 424 R C 2.314 178.541 176.300 -0.123 0.000 1.137 424 R CA 1.056 57.064 56.100 -0.154 0.000 0.951 424 R CB -0.358 29.788 30.300 -0.256 0.000 0.851 424 R HN 0.252 nan 8.270 nan 0.000 0.434 425 L N 0.510 121.684 121.223 -0.082 0.000 1.997 425 L HA -0.288 4.040 4.340 -0.019 0.000 0.216 425 L C 2.782 179.647 176.870 -0.009 0.000 1.074 425 L CA 2.280 57.091 54.840 -0.049 0.000 0.763 425 L CB -0.621 41.422 42.059 -0.026 0.000 0.890 425 L HN 0.357 nan 8.230 nan 0.000 0.434 426 R N -0.051 120.453 120.500 0.007 0.000 2.075 426 R HA -0.128 4.201 4.340 -0.019 0.000 0.232 426 R C 2.271 178.612 176.300 0.068 0.000 1.126 426 R CA 1.041 57.167 56.100 0.044 0.000 0.963 426 R CB -0.592 29.732 30.300 0.041 0.000 0.858 426 R HN 0.209 nan 8.270 nan 0.000 0.435 427 R N 0.275 120.799 120.500 0.039 0.000 2.127 427 R HA -0.031 4.298 4.340 -0.019 0.000 0.238 427 R C 2.099 178.442 176.300 0.072 0.000 1.134 427 R CA 2.036 58.177 56.100 0.069 0.000 0.975 427 R CB -0.240 30.071 30.300 0.018 0.000 0.865 427 R HN 0.377 nan 8.270 nan 0.000 0.447 428 M N -0.156 119.420 119.600 -0.040 0.000 2.509 428 M HA 0.036 4.505 4.480 -0.019 0.000 0.250 428 M C 0.816 177.177 176.300 0.101 0.000 1.132 428 M CA -0.054 55.158 55.300 -0.147 0.000 1.080 428 M CB 0.507 32.890 32.600 -0.361 0.000 1.408 428 M HN -0.083 nan 8.290 nan 0.000 0.484 429 S N 1.253 117.052 115.700 0.166 0.000 2.558 429 S HA 0.032 4.491 4.470 -0.019 0.000 0.293 429 S C 1.148 175.952 174.600 0.340 0.000 1.292 429 S CA -0.223 58.118 58.200 0.234 0.000 1.063 429 S CB 0.518 63.825 63.200 0.179 0.000 0.831 429 S HN 0.375 nan 8.310 nan 0.000 0.499 430 L N 4.255 125.650 121.223 0.286 0.000 2.376 430 L HA 0.065 4.393 4.340 -0.019 0.000 0.219 430 L C 0.299 177.281 176.870 0.186 0.000 1.133 430 L CA 0.354 55.344 54.840 0.250 0.000 0.816 430 L CB -0.476 41.660 42.059 0.127 0.000 0.933 430 L HN 0.433 nan 8.230 nan 0.000 0.449 431 V N 0.452 120.481 119.914 0.191 0.000 2.350 431 V HA 0.186 4.294 4.120 -0.019 0.000 0.276 431 V C 0.051 176.241 176.094 0.160 0.000 1.028 431 V CA -0.623 61.779 62.300 0.171 0.000 0.860 431 V CB 1.402 33.361 31.823 0.226 0.000 0.990 431 V HN 0.141 nan 8.190 nan 0.000 0.453 432 E N 2.939 123.218 120.200 0.130 0.000 2.167 432 E HA 0.344 4.683 4.350 -0.019 0.000 0.284 432 E C -0.356 176.305 176.600 0.102 0.000 1.016 432 E CA -0.412 56.056 56.400 0.113 0.000 0.817 432 E CB 1.379 31.131 29.700 0.085 0.000 1.080 432 E HN 0.664 nan 8.360 nan 0.000 0.397 433 E N 1.275 121.531 120.200 0.092 0.000 2.369 433 E HA 0.590 4.929 4.350 -0.019 0.000 0.255 433 E C 0.091 176.732 176.600 0.069 0.000 1.172 433 E CA 0.601 57.048 56.400 0.078 0.000 0.932 433 E CB 1.173 30.912 29.700 0.066 0.000 1.040 433 E HN 0.629 nan 8.360 nan 0.000 0.454 434 G N -0.544 108.293 108.800 0.062 0.000 2.359 434 G HA2 0.245 4.193 3.960 -0.019 0.000 0.303 434 G HA3 0.245 4.193 3.960 -0.019 0.000 0.303 434 G C 0.380 175.315 174.900 0.058 0.000 1.293 434 G CA 0.179 45.312 45.100 0.055 0.000 0.964 434 G HN 0.630 nan 8.290 nan 0.000 0.531 435 A N -1.013 121.838 122.820 0.052 0.000 1.884 435 A HA 0.271 4.580 4.320 -0.019 0.000 0.219 435 A C 1.699 179.325 177.584 0.069 0.000 1.197 435 A CA 3.597 55.664 52.037 0.051 0.000 0.637 435 A CB -1.119 17.906 19.000 0.043 0.000 0.827 435 A HN 2.346 nan 8.150 nan 0.000 0.450 436 V N -2.620 117.347 119.914 0.088 0.000 2.417 436 V HA 0.481 4.590 4.120 -0.019 0.000 0.291 436 V C -0.462 175.706 176.094 0.123 0.000 1.024 436 V CA -1.471 60.906 62.300 0.128 0.000 0.861 436 V CB 1.288 33.219 31.823 0.180 0.000 0.985 436 V HN 0.311 nan 8.190 nan 0.000 0.436 437 K N 4.343 124.825 120.400 0.136 0.000 2.448 437 K HA 0.393 4.702 4.320 -0.019 0.000 0.278 437 K C -0.287 176.387 176.600 0.123 0.000 1.009 437 K CA -0.002 56.362 56.287 0.129 0.000 0.995 437 K CB 0.771 33.360 32.500 0.148 0.000 0.917 437 K HN 0.717 nan 8.250 nan 0.000 0.481 438 R N 1.616 122.177 120.500 0.102 0.000 2.854 438 R HA 0.477 4.806 4.340 -0.019 0.000 0.271 438 R C -0.424 175.919 176.300 0.072 0.000 0.994 438 R CA -1.014 55.136 56.100 0.084 0.000 0.945 438 R CB 1.317 31.651 30.300 0.055 0.000 1.194 438 R HN 0.397 nan 8.270 nan 0.000 0.476 439 I N 1.944 122.552 120.570 0.063 0.000 2.321 439 I HA 0.151 4.309 4.170 -0.019 0.000 0.291 439 I C -0.115 175.992 176.117 -0.016 0.000 0.998 439 I CA -0.667 60.653 61.300 0.035 0.000 1.227 439 I CB 1.107 39.123 38.000 0.026 0.000 1.368 439 I HN 0.505 nan 8.210 nan 0.000 0.466 440 N N 7.171 125.839 118.700 -0.053 0.000 2.402 440 N HA 0.102 4.831 4.740 -0.019 0.000 0.252 440 N C 0.783 176.182 175.510 -0.185 0.000 1.118 440 N CA -0.322 52.611 53.050 -0.195 0.000 0.945 440 N CB 1.022 39.282 38.487 -0.378 0.000 1.147 440 N HN 0.398 nan 8.380 nan 0.000 0.495 441 M N 2.467 121.952 119.600 -0.192 0.000 2.319 441 M HA -0.036 4.432 4.480 -0.019 0.000 0.265 441 M C 1.982 178.113 176.300 -0.283 0.000 1.068 441 M CA 0.626 55.827 55.300 -0.166 0.000 1.118 441 M CB -1.586 30.959 32.600 -0.093 0.000 1.395 441 M HN 0.588 nan 8.290 nan 0.000 0.435 442 A N -0.024 122.610 122.820 -0.309 0.000 1.883 442 A HA -0.196 4.113 4.320 -0.019 0.000 0.217 442 A C 1.987 179.299 177.584 -0.453 0.000 1.186 442 A CA 1.750 53.559 52.037 -0.379 0.000 0.624 442 A CB -1.251 17.712 19.000 -0.061 0.000 0.822 442 A HN 0.602 nan 8.150 nan 0.000 0.444 443 H N -1.007 117.840 119.070 -0.371 0.000 2.352 443 H HA -0.070 4.474 4.556 -0.019 0.000 0.299 443 H C 2.126 177.230 175.328 -0.373 0.000 1.097 443 H CA 1.024 56.821 56.048 -0.420 0.000 1.311 443 H CB -0.121 29.596 29.762 -0.074 0.000 1.377 443 H HN 0.354 nan 8.280 nan 0.000 0.504 444 L N 0.331 121.465 121.223 -0.148 0.000 2.013 444 L HA -0.262 4.067 4.340 -0.019 0.000 0.212 444 L C 2.287 179.016 176.870 -0.234 0.000 1.073 444 L CA 1.378 56.127 54.840 -0.152 0.000 0.753 444 L CB -0.383 41.609 42.059 -0.111 0.000 0.890 444 L HN 0.491 nan 8.230 nan 0.000 0.432 445 C N -0.212 118.845 119.300 -0.404 0.000 2.429 445 C HA -0.155 4.293 4.460 -0.019 0.000 0.277 445 C C 2.648 177.383 174.990 -0.425 0.000 1.262 445 C CA 0.474 59.176 59.018 -0.525 0.000 1.733 445 C CB -0.689 26.367 27.740 -1.139 0.000 2.010 445 C HN 0.492 nan 8.230 nan 0.000 0.483 446 I N 1.429 121.707 120.570 -0.487 0.000 2.179 446 I HA -0.196 3.963 4.170 -0.019 0.000 0.242 446 I C 2.768 178.765 176.117 -0.200 0.000 1.088 446 I CA 1.688 62.758 61.300 -0.383 0.000 1.357 446 I CB -0.602 37.037 38.000 -0.601 0.000 1.051 446 I HN 0.257 nan 8.210 nan 0.000 0.409 447 A N 0.573 123.256 122.820 -0.228 0.000 1.933 447 A HA -0.107 4.202 4.320 -0.019 0.000 0.218 447 A C 2.246 179.880 177.584 0.083 0.000 1.175 447 A CA 1.941 53.887 52.037 -0.153 0.000 0.628 447 A CB -1.147 17.526 19.000 -0.545 0.000 0.814 447 A HN 0.493 nan 8.150 nan 0.000 0.444 448 G N -1.377 107.400 108.800 -0.039 0.000 3.088 448 G HA2 0.389 4.338 3.960 -0.019 0.000 0.217 448 G HA3 0.389 4.338 3.960 -0.019 0.000 0.217 448 G C 0.225 174.960 174.900 -0.275 0.000 1.159 448 G CA 0.505 45.462 45.100 -0.238 0.000 0.760 448 G HN 0.363 nan 8.290 nan 0.000 0.550 449 S N -0.095 115.504 115.700 -0.168 0.000 2.537 449 S HA 0.304 4.762 4.470 -0.019 0.000 0.301 449 S C 0.869 175.419 174.600 -0.083 0.000 1.092 449 S CA -0.666 57.460 58.200 -0.122 0.000 1.048 449 S CB 1.242 64.374 63.200 -0.113 0.000 1.053 449 S HN 0.508 nan 8.310 nan 0.000 0.501 450 H N 0.077 119.108 119.070 -0.064 0.000 2.548 450 H HA 0.443 4.988 4.556 -0.019 0.000 0.268 450 H C 0.093 175.403 175.328 -0.031 0.000 0.975 450 H CA 0.357 56.393 56.048 -0.021 0.000 1.195 450 H CB 0.134 29.902 29.762 0.010 0.000 1.397 450 H HN 0.512 nan 8.280 nan 0.000 0.572 451 A N 0.998 123.498 122.820 -0.533 0.000 2.488 451 A HA 0.548 4.857 4.320 -0.019 0.000 0.298 451 A C -1.437 175.940 177.584 -0.345 0.000 1.044 451 A CA -0.575 51.197 52.037 -0.441 0.000 0.693 451 A CB 2.175 20.864 19.000 -0.518 0.000 1.272 451 A HN 0.099 nan 8.150 nan 0.000 0.402 452 V N 4.244 123.914 119.914 -0.406 0.000 2.531 452 V HA 0.536 4.645 4.120 -0.019 0.000 0.301 452 V C -0.740 175.160 176.094 -0.324 0.000 1.034 452 V CA -0.760 61.303 62.300 -0.394 0.000 0.865 452 V CB 1.829 33.279 31.823 -0.622 0.000 0.995 452 V HN 1.004 nan 8.190 nan 0.000 0.424 453 N N 3.248 121.785 118.700 -0.272 0.000 2.238 453 N HA 0.571 5.299 4.740 -0.019 0.000 0.302 453 N C -0.205 175.211 175.510 -0.156 0.000 1.072 453 N CA -0.376 52.560 53.050 -0.190 0.000 0.792 453 N CB 2.816 41.175 38.487 -0.213 0.000 1.425 453 N HN 0.629 nan 8.380 nan 0.000 0.478 454 G N -0.577 108.171 108.800 -0.086 0.000 2.557 454 G HA2 0.395 4.344 3.960 -0.019 0.000 0.292 454 G HA3 0.395 4.344 3.960 -0.019 0.000 0.292 454 G C 0.827 175.800 174.900 0.122 0.000 1.237 454 G CA -0.401 44.718 45.100 0.032 0.000 0.978 454 G HN 0.663 nan 8.290 nan 0.000 0.498 455 V N -3.890 116.205 119.914 0.301 0.000 3.477 455 V HA 0.704 4.813 4.120 -0.019 0.000 0.297 455 V C 0.546 176.712 176.094 0.119 0.000 1.433 455 V CA 0.444 62.812 62.300 0.114 0.000 1.052 455 V CB -0.661 31.158 31.823 -0.008 0.000 0.895 455 V HN 1.370 nan 8.190 nan 0.000 0.438 456 A N -0.056 122.855 122.820 0.152 0.000 2.605 456 A HA 0.630 4.938 4.320 -0.019 0.000 0.294 456 A C 0.704 178.341 177.584 0.088 0.000 1.062 456 A CA -0.101 52.001 52.037 0.109 0.000 0.682 456 A CB 1.214 20.267 19.000 0.089 0.000 1.278 456 A HN 0.017 nan 8.150 nan 0.000 0.410 457 R N 0.877 121.405 120.500 0.047 0.000 2.119 457 R HA -0.180 4.149 4.340 -0.019 0.000 0.246 457 R C 1.633 177.932 176.300 -0.003 0.000 1.146 457 R CA 2.356 58.462 56.100 0.009 0.000 0.962 457 R CB -0.235 30.065 30.300 -0.000 0.000 0.863 457 R HN 0.834 nan 8.270 nan 0.000 0.442 458 I N 0.114 120.693 120.570 0.015 0.000 2.315 458 I HA -0.281 3.877 4.170 -0.019 0.000 0.248 458 I C 2.341 178.465 176.117 0.012 0.000 1.117 458 I CA 1.870 63.171 61.300 0.001 0.000 1.404 458 I CB -0.197 37.804 38.000 0.003 0.000 1.071 458 I HN 0.331 nan 8.210 nan 0.000 0.419 459 H N -0.030 119.014 119.070 -0.043 0.000 2.363 459 H HA -0.073 4.472 4.556 -0.019 0.000 0.301 459 H C 2.248 177.549 175.328 -0.046 0.000 1.074 459 H CA 2.012 58.031 56.048 -0.049 0.000 1.354 459 H CB -0.252 29.486 29.762 -0.041 0.000 1.397 459 H HN 0.205 nan 8.280 nan 0.000 0.516 460 S N 0.363 115.937 115.700 -0.210 0.000 2.370 460 S HA -0.157 4.302 4.470 -0.019 0.000 0.226 460 S C 1.910 176.393 174.600 -0.195 0.000 1.033 460 S CA 1.379 59.446 58.200 -0.222 0.000 1.011 460 S CB -0.138 63.005 63.200 -0.094 0.000 0.852 460 S HN 0.493 nan 8.310 nan 0.000 0.457 461 E N 1.032 121.141 120.200 -0.152 0.000 2.077 461 E HA -0.040 4.299 4.350 -0.019 0.000 0.193 461 E C 2.046 178.537 176.600 -0.182 0.000 0.989 461 E CA 0.717 57.018 56.400 -0.164 0.000 0.800 461 E CB -0.437 29.196 29.700 -0.112 0.000 0.746 461 E HN 0.514 nan 8.360 nan 0.000 0.452 462 I N 1.028 121.503 120.570 -0.157 0.000 2.264 462 I HA -0.296 3.863 4.170 -0.019 0.000 0.248 462 I C 2.393 178.392 176.117 -0.198 0.000 1.111 462 I CA 0.861 62.071 61.300 -0.149 0.000 1.382 462 I CB -0.276 37.667 38.000 -0.096 0.000 1.060 462 I HN 0.067 nan 8.210 nan 0.000 0.418 463 L N 0.252 121.327 121.223 -0.246 0.000 2.046 463 L HA -0.234 4.095 4.340 -0.019 0.000 0.208 463 L C 2.525 179.300 176.870 -0.158 0.000 1.077 463 L CA 1.553 56.279 54.840 -0.190 0.000 0.747 463 L CB -0.612 41.416 42.059 -0.052 0.000 0.896 463 L HN 0.186 nan 8.230 nan 0.000 0.432 464 K N -0.033 120.192 120.400 -0.293 0.000 2.155 464 K HA -0.113 4.196 4.320 -0.019 0.000 0.203 464 K C 2.052 178.450 176.600 -0.337 0.000 1.052 464 K CA 1.057 57.017 56.287 -0.544 0.000 0.948 464 K CB 0.114 32.102 32.500 -0.852 0.000 0.728 464 K HN 0.284 nan 8.250 nan 0.000 0.448 465 K N -0.459 119.807 120.400 -0.224 0.000 2.308 465 K HA -0.005 4.304 4.320 -0.019 0.000 0.197 465 K C 1.878 178.426 176.600 -0.086 0.000 1.049 465 K CA 1.280 57.487 56.287 -0.133 0.000 0.991 465 K CB 0.636 33.067 32.500 -0.115 0.000 0.836 465 K HN 0.243 nan 8.250 nan 0.000 0.500 466 T N -0.977 113.515 114.554 -0.103 0.000 3.479 466 T HA 0.052 4.391 4.350 -0.019 0.000 0.197 466 T C 1.985 176.632 174.700 -0.088 0.000 0.912 466 T CA -0.005 62.045 62.100 -0.084 0.000 1.281 466 T CB -0.773 68.042 68.868 -0.089 0.000 1.588 466 T HN 0.121 nan 8.240 nan 0.000 0.389 467 I N -0.938 119.513 120.570 -0.198 0.000 2.454 467 I HA 0.245 4.404 4.170 -0.019 0.000 0.254 467 I C 1.164 177.159 176.117 -0.203 0.000 1.156 467 I CA 1.258 62.382 61.300 -0.292 0.000 1.433 467 I CB -0.537 37.137 38.000 -0.543 0.000 1.082 467 I HN 0.271 nan 8.210 nan 0.000 0.432 468 F N 0.632 120.654 119.950 0.120 0.000 2.805 468 F HA 0.364 4.880 4.527 -0.019 0.000 0.317 468 F C 1.883 177.781 175.800 0.163 0.000 1.146 468 F CA -0.665 57.479 58.000 0.240 0.000 1.265 468 F CB 0.140 39.288 39.000 0.246 0.000 0.992 468 F HN -0.122 nan 8.300 nan 0.000 0.511 469 K N 1.042 121.561 120.400 0.198 0.000 2.044 469 K HA -0.224 4.085 4.320 -0.019 0.000 0.210 469 K C 1.340 178.013 176.600 0.121 0.000 1.049 469 K CA 2.251 58.603 56.287 0.109 0.000 0.927 469 K CB -0.010 32.516 32.500 0.043 0.000 0.713 469 K HN 0.177 nan 8.250 nan 0.000 0.443 470 D N -0.191 120.266 120.400 0.096 0.000 2.123 470 D HA -0.169 4.460 4.640 -0.019 0.000 0.196 470 D C 1.822 178.055 176.300 -0.113 0.000 0.992 470 D CA 1.292 55.224 54.000 -0.112 0.000 0.833 470 D CB -0.319 40.336 40.800 -0.242 0.000 0.954 470 D HN 0.239 nan 8.370 nan 0.000 0.455 471 F N -0.243 119.787 119.950 0.135 0.000 2.163 471 F HA -0.137 4.379 4.527 -0.019 0.000 0.297 471 F C 2.353 178.282 175.800 0.216 0.000 1.094 471 F CA 0.521 58.669 58.000 0.246 0.000 1.290 471 F CB -0.652 38.567 39.000 0.366 0.000 1.017 471 F HN -0.041 nan 8.300 nan 0.000 0.483 472 Y N 1.336 121.614 120.300 -0.037 0.000 2.165 472 Y HA -0.233 4.305 4.550 -0.019 0.000 0.286 472 Y C 2.162 178.034 175.900 -0.047 0.000 1.155 472 Y CA 1.749 59.625 58.100 -0.372 0.000 1.164 472 Y CB -0.614 37.443 38.460 -0.673 0.000 0.978 472 Y HN 0.112 nan 8.280 nan 0.000 0.513 473 E N -0.310 119.830 120.200 -0.100 0.000 2.077 473 E HA -0.208 4.131 4.350 -0.019 0.000 0.193 473 E C 2.025 178.674 176.600 0.083 0.000 0.989 473 E CA 1.308 57.668 56.400 -0.066 0.000 0.800 473 E CB -0.360 29.351 29.700 0.018 0.000 0.746 473 E HN 0.438 nan 8.360 nan 0.000 0.452 474 L N 0.994 122.306 121.223 0.148 0.000 2.005 474 L HA -0.102 4.227 4.340 -0.019 0.000 0.207 474 L C 0.234 177.193 176.870 0.147 0.000 1.072 474 L CA 1.825 56.793 54.840 0.213 0.000 0.744 474 L CB 0.206 42.371 42.059 0.176 0.000 0.895 474 L HN -0.056 nan 8.230 nan 0.000 0.433 475 E N -0.258 120.029 120.200 0.146 0.000 3.374 475 E HA 0.178 4.517 4.350 -0.019 0.000 0.223 475 E C -1.948 174.625 176.600 -0.045 0.000 1.210 475 E CA -1.261 55.162 56.400 0.038 0.000 0.987 475 E CB 0.736 30.445 29.700 0.014 0.000 1.322 475 E HN 0.255 nan 8.360 nan 0.000 0.404 476 P HA -0.239 nan 4.420 nan 0.000 0.218 476 P C 1.118 178.531 177.300 0.189 0.000 1.148 476 P CA 1.333 64.335 63.100 -0.163 0.000 0.822 476 P CB -0.065 31.414 31.700 -0.368 0.000 0.784 477 H N -0.403 118.778 119.070 0.186 0.000 2.561 477 H HA 0.088 4.633 4.556 -0.019 0.000 0.278 477 H C 1.549 176.986 175.328 0.181 0.000 1.014 477 H CA 0.679 56.827 56.048 0.168 0.000 1.211 477 H CB -0.463 29.365 29.762 0.111 0.000 1.365 477 H HN 0.182 nan 8.280 nan 0.000 0.594 478 K N 0.037 120.384 120.400 -0.089 0.000 2.379 478 K HA 0.113 4.422 4.320 -0.019 0.000 0.194 478 K C -0.497 175.961 176.600 -0.237 0.000 1.031 478 K CA -0.156 56.021 56.287 -0.183 0.000 1.037 478 K CB 0.358 32.644 32.500 -0.358 0.000 0.824 478 K HN 0.044 nan 8.250 nan 0.000 0.516 479 F N 1.427 121.407 119.950 0.051 0.000 2.415 479 F HA 0.298 4.813 4.527 -0.019 0.000 0.348 479 F C 0.190 175.992 175.800 0.004 0.000 1.119 479 F CA -0.569 57.459 58.000 0.047 0.000 1.069 479 F CB 1.475 40.553 39.000 0.131 0.000 1.124 479 F HN -0.135 nan 8.300 nan 0.000 0.472 480 Q N 1.706 121.536 119.800 0.051 0.000 2.587 480 Q HA 0.371 4.700 4.340 -0.019 0.000 0.293 480 Q C -1.264 174.699 176.000 -0.062 0.000 1.083 480 Q CA -1.285 54.503 55.803 -0.025 0.000 0.792 480 Q CB 3.093 31.763 28.738 -0.113 0.000 1.484 480 Q HN 0.602 nan 8.270 nan 0.000 0.446 481 N N 0.594 119.240 118.700 -0.090 0.000 2.319 481 N HA 0.283 5.011 4.740 -0.019 0.000 0.305 481 N C -1.419 173.989 175.510 -0.171 0.000 1.103 481 N CA -0.394 52.598 53.050 -0.098 0.000 0.815 481 N CB 1.019 39.471 38.487 -0.058 0.000 1.288 481 N HN 0.277 nan 8.380 nan 0.000 0.493 482 K N 2.533 122.836 120.400 -0.161 0.000 2.723 482 K HA 0.181 4.490 4.320 -0.019 0.000 0.229 482 K C -1.038 175.562 176.600 0.000 0.000 1.022 482 K CA -0.485 55.679 56.287 -0.204 0.000 1.045 482 K CB 1.175 33.329 32.500 -0.577 0.000 1.227 482 K HN 0.532 nan 8.250 nan 0.000 0.516 483 T N 2.105 116.677 114.554 0.029 0.000 2.902 483 T HA 0.060 4.399 4.350 -0.019 0.000 0.301 483 T C 0.753 175.569 174.700 0.192 0.000 1.012 483 T CA 0.328 62.496 62.100 0.113 0.000 1.151 483 T CB 0.218 69.155 68.868 0.115 0.000 0.946 483 T HN 0.344 nan 8.240 nan 0.000 0.542 484 N N 0.806 119.643 118.700 0.228 0.000 2.344 484 N HA 0.360 5.089 4.740 -0.019 0.000 0.236 484 N C 0.476 176.167 175.510 0.300 0.000 1.279 484 N CA -0.133 53.089 53.050 0.286 0.000 0.882 484 N CB 0.400 39.005 38.487 0.198 0.000 1.110 484 N HN 0.751 nan 8.380 nan 0.000 0.436 485 G N -0.402 108.594 108.800 0.326 0.000 2.708 485 G HA2 0.643 4.592 3.960 -0.019 0.000 0.289 485 G HA3 0.643 4.592 3.960 -0.019 0.000 0.289 485 G C -1.131 173.913 174.900 0.240 0.000 1.416 485 G CA -0.733 44.538 45.100 0.284 0.000 0.829 485 G HN 0.591 nan 8.290 nan 0.000 0.480 486 I N -2.576 118.111 120.570 0.195 0.000 3.108 486 I HA 0.786 4.945 4.170 -0.019 0.000 0.312 486 I C -0.287 175.987 176.117 0.262 0.000 1.095 486 I CA -0.996 60.414 61.300 0.183 0.000 1.000 486 I CB 2.404 40.394 38.000 -0.017 0.000 1.229 486 I HN 0.468 nan 8.210 nan 0.000 0.454 487 T N 2.356 117.138 114.554 0.380 0.000 2.771 487 T HA 0.437 4.775 4.350 -0.019 0.000 0.291 487 T C -1.820 173.003 174.700 0.205 0.000 0.954 487 T CA -1.796 60.444 62.100 0.232 0.000 1.045 487 T CB 1.072 70.022 68.868 0.135 0.000 0.917 487 T HN 0.533 nan 8.240 nan 0.000 0.484 488 P HA 0.080 nan 4.420 nan 0.000 0.229 488 P C 1.226 178.488 177.300 -0.065 0.000 1.160 488 P CA 0.364 63.494 63.100 0.048 0.000 0.777 488 P CB 0.292 31.994 31.700 0.003 0.000 0.814 489 R N -0.086 120.326 120.500 -0.146 0.000 2.064 489 R HA -0.025 4.304 4.340 -0.019 0.000 0.228 489 R C 2.539 178.718 176.300 -0.201 0.000 1.144 489 R CA 1.551 57.526 56.100 -0.207 0.000 0.932 489 R CB -1.127 29.055 30.300 -0.197 0.000 0.833 489 R HN 0.052 nan 8.270 nan 0.000 0.429 490 R N -0.841 119.483 120.500 -0.293 0.000 2.073 490 R HA -0.123 4.206 4.340 -0.019 0.000 0.234 490 R C 1.339 177.297 176.300 -0.570 0.000 1.134 490 R CA 1.727 57.489 56.100 -0.563 0.000 0.952 490 R CB -0.203 29.548 30.300 -0.916 0.000 0.850 490 R HN 0.304 nan 8.270 nan 0.000 0.433 491 W N -0.504 120.754 121.300 -0.070 0.000 3.256 491 W HA 0.125 4.773 4.660 -0.020 0.000 0.269 491 W C 1.125 177.612 176.519 -0.052 0.000 1.310 491 W CA -0.630 56.673 57.345 -0.070 0.000 1.673 491 W CB 0.389 29.813 29.460 -0.060 0.000 1.115 491 W HN 0.229 nan 8.180 nan 0.000 0.686 492 L N -2.098 119.182 121.223 0.094 0.000 3.099 492 L HA 0.187 4.516 4.340 -0.019 0.000 0.165 492 L C 1.857 178.739 176.870 0.020 0.000 1.151 492 L CA 0.777 55.664 54.840 0.078 0.000 0.878 492 L CB -0.900 41.232 42.059 0.121 0.000 1.615 492 L HN -0.265 nan 8.230 nan 0.000 0.545 493 V N 1.061 120.963 119.914 -0.019 0.000 2.392 493 V HA -0.272 3.837 4.120 -0.019 0.000 0.249 493 V C 2.417 178.483 176.094 -0.047 0.000 1.059 493 V CA 2.470 64.749 62.300 -0.034 0.000 1.051 493 V CB -0.655 31.116 31.823 -0.086 0.000 0.658 493 V HN 0.497 nan 8.190 nan 0.000 0.455 494 L N 0.228 121.395 121.223 -0.093 0.000 2.084 494 L HA -0.109 4.220 4.340 -0.019 0.000 0.202 494 L C 2.460 179.267 176.870 -0.106 0.000 1.074 494 L CA 1.934 56.703 54.840 -0.117 0.000 0.757 494 L CB -0.163 41.777 42.059 -0.198 0.000 0.918 494 L HN 0.603 nan 8.230 nan 0.000 0.444 495 C N -1.666 117.564 119.300 -0.118 0.000 2.514 495 C HA 0.211 4.659 4.460 -0.019 0.000 0.271 495 C C 1.135 176.107 174.990 -0.030 0.000 1.399 495 C CA -0.322 58.645 59.018 -0.085 0.000 1.765 495 C CB -1.113 26.575 27.740 -0.087 0.000 1.893 495 C HN 0.563 nan 8.230 nan 0.000 0.531 496 N N 1.090 119.783 118.700 -0.012 0.000 2.733 496 N HA 0.278 5.007 4.740 -0.019 0.000 0.271 496 N C -1.772 173.748 175.510 0.017 0.000 1.720 496 N CA -1.561 51.494 53.050 0.010 0.000 0.803 496 N CB 0.759 39.261 38.487 0.025 0.000 1.208 496 N HN 0.218 nan 8.380 nan 0.000 0.498 497 P HA -0.054 nan 4.420 nan 0.000 0.216 497 P C 1.400 178.714 177.300 0.024 0.000 1.150 497 P CA 0.964 64.073 63.100 0.016 0.000 0.837 497 P CB 0.246 31.950 31.700 0.006 0.000 0.786 498 G N 0.669 109.479 108.800 0.016 0.000 2.446 498 G HA2 -0.251 3.698 3.960 -0.019 0.000 0.217 498 G HA3 -0.251 3.698 3.960 -0.019 0.000 0.217 498 G C 1.536 176.442 174.900 0.010 0.000 1.168 498 G CA 0.744 45.850 45.100 0.010 0.000 0.771 498 G HN 0.256 nan 8.290 nan 0.000 0.551 499 L N 1.270 122.500 121.223 0.012 0.000 2.093 499 L HA 0.248 4.577 4.340 -0.019 0.000 0.208 499 L C 3.038 179.935 176.870 0.045 0.000 1.085 499 L CA 1.987 56.833 54.840 0.009 0.000 0.755 499 L CB -0.655 41.411 42.059 0.011 0.000 0.904 499 L HN 0.230 nan 8.230 nan 0.000 0.435 500 A N -0.890 121.978 122.820 0.080 0.000 1.933 500 A HA -0.226 4.083 4.320 -0.019 0.000 0.218 500 A C 2.228 179.904 177.584 0.152 0.000 1.175 500 A CA 1.711 53.845 52.037 0.162 0.000 0.628 500 A CB -0.610 18.478 19.000 0.148 0.000 0.814 500 A HN 0.506 nan 8.150 nan 0.000 0.444 501 E N 0.608 120.860 120.200 0.086 0.000 2.028 501 E HA -0.159 4.179 4.350 -0.019 0.000 0.191 501 E C 1.901 178.538 176.600 0.062 0.000 0.988 501 E CA 1.570 58.012 56.400 0.069 0.000 0.799 501 E CB -0.488 29.236 29.700 0.040 0.000 0.755 501 E HN 0.742 nan 8.360 nan 0.000 0.447 502 I N -1.808 118.790 120.570 0.047 0.000 2.361 502 I HA -0.148 4.011 4.170 -0.019 0.000 0.251 502 I C 2.093 178.271 176.117 0.101 0.000 1.133 502 I CA 1.119 62.456 61.300 0.062 0.000 1.413 502 I CB -0.352 37.657 38.000 0.014 0.000 1.073 502 I HN -0.006 nan 8.210 nan 0.000 0.424 503 I N 1.998 122.601 120.570 0.055 0.000 2.252 503 I HA -0.184 3.975 4.170 -0.019 0.000 0.245 503 I C 3.017 179.082 176.117 -0.087 0.000 1.102 503 I CA 1.324 62.581 61.300 -0.071 0.000 1.385 503 I CB -0.484 37.343 38.000 -0.288 0.000 1.064 503 I HN 0.300 nan 8.210 nan 0.000 0.414 504 A N 0.418 123.277 122.820 0.065 0.000 1.902 504 A HA -0.231 4.078 4.320 -0.019 0.000 0.217 504 A C 2.190 179.804 177.584 0.050 0.000 1.181 504 A CA 1.661 53.781 52.037 0.138 0.000 0.623 504 A CB -0.609 18.502 19.000 0.186 0.000 0.818 504 A HN 0.415 nan 8.150 nan 0.000 0.443 505 E N -0.642 119.575 120.200 0.029 0.000 2.086 505 E HA -0.244 4.095 4.350 -0.019 0.000 0.200 505 E C 2.365 178.947 176.600 -0.030 0.000 1.012 505 E CA 1.512 57.919 56.400 0.012 0.000 0.812 505 E CB -0.098 29.617 29.700 0.025 0.000 0.743 505 E HN 0.401 nan 8.360 nan 0.000 0.453 506 R N 0.124 120.553 120.500 -0.119 0.000 2.055 506 R HA -0.012 4.317 4.340 -0.019 0.000 0.226 506 R C 2.459 178.662 176.300 -0.162 0.000 1.135 506 R CA 1.241 57.188 56.100 -0.255 0.000 0.959 506 R CB -0.639 29.199 30.300 -0.769 0.000 0.854 506 R HN 0.391 nan 8.270 nan 0.000 0.431 507 I N -3.291 117.188 120.570 -0.152 0.000 4.082 507 I HA 0.427 4.586 4.170 -0.019 0.000 0.337 507 I C 0.603 176.742 176.117 0.037 0.000 1.352 507 I CA 0.266 61.527 61.300 -0.066 0.000 1.097 507 I CB 0.726 38.656 38.000 -0.118 0.000 1.048 507 I HN 0.215 nan 8.210 nan 0.000 0.393 508 G N 1.973 110.813 108.800 0.067 0.000 2.587 508 G HA2 -0.216 3.733 3.960 -0.019 0.000 0.212 508 G HA3 -0.216 3.733 3.960 -0.019 0.000 0.212 508 G C 0.006 175.037 174.900 0.218 0.000 1.327 508 G CA 0.248 45.415 45.100 0.111 0.000 0.898 508 G HN 0.386 nan 8.290 nan 0.000 0.551 509 E N -0.259 120.028 120.200 0.146 0.000 2.465 509 E HA 0.125 4.463 4.350 -0.019 0.000 0.209 509 E C 1.912 178.474 176.600 -0.062 0.000 0.951 509 E CA 0.197 56.629 56.400 0.054 0.000 0.997 509 E CB 0.368 30.082 29.700 0.024 0.000 1.025 509 E HN 0.596 nan 8.360 nan 0.000 0.500 510 E N 0.440 120.669 120.200 0.047 0.000 2.331 510 E HA -0.203 4.136 4.350 -0.019 0.000 0.199 510 E C 1.541 178.143 176.600 0.003 0.000 1.008 510 E CA 0.935 57.351 56.400 0.026 0.000 0.843 510 E CB -0.120 29.616 29.700 0.059 0.000 0.761 510 E HN 0.485 nan 8.360 nan 0.000 0.507 511 Y N -1.058 119.240 120.300 -0.003 0.000 2.439 511 Y HA -0.005 4.534 4.550 -0.017 0.000 0.292 511 Y C 1.786 177.657 175.900 -0.047 0.000 1.130 511 Y CA 0.397 58.487 58.100 -0.017 0.000 1.254 511 Y CB -0.502 37.950 38.460 -0.014 0.000 1.000 511 Y HN -0.078 nan 8.280 nan 0.000 0.554 512 I N 0.971 121.085 120.570 -0.760 0.000 2.361 512 I HA -0.230 3.929 4.170 -0.019 0.000 0.251 512 I C 1.747 177.609 176.117 -0.426 0.000 1.133 512 I CA 1.817 62.702 61.300 -0.692 0.000 1.413 512 I CB -0.368 37.132 38.000 -0.834 0.000 1.073 512 I HN 0.469 nan 8.210 nan 0.000 0.424 513 S N -1.928 113.628 115.700 -0.241 0.000 2.663 513 S HA 0.178 4.637 4.470 -0.019 0.000 0.243 513 S C 0.074 174.654 174.600 -0.034 0.000 1.009 513 S CA -0.490 57.644 58.200 -0.109 0.000 0.988 513 S CB 0.255 63.457 63.200 0.003 0.000 0.896 513 S HN 0.302 nan 8.310 nan 0.000 0.502 514 D N 0.582 120.971 120.400 -0.019 0.000 2.584 514 D HA 0.222 4.851 4.640 -0.019 0.000 0.238 514 D C 0.067 176.405 176.300 0.064 0.000 1.302 514 D CA -0.378 53.635 54.000 0.022 0.000 0.884 514 D CB 0.574 41.391 40.800 0.029 0.000 1.456 514 D HN 0.113 nan 8.370 nan 0.000 0.528 515 L N 1.821 123.081 121.223 0.063 0.000 2.395 515 L HA 0.116 4.445 4.340 -0.019 0.000 0.218 515 L C 1.477 178.394 176.870 0.079 0.000 1.130 515 L CA 1.197 56.104 54.840 0.112 0.000 0.826 515 L CB 0.031 42.151 42.059 0.102 0.000 0.941 515 L HN 0.302 nan 8.230 nan 0.000 0.451 516 D N -0.431 119.992 120.400 0.039 0.000 2.190 516 D HA -0.251 4.378 4.640 -0.019 0.000 0.200 516 D C 1.774 178.089 176.300 0.026 0.000 0.992 516 D CA 1.035 55.044 54.000 0.015 0.000 0.854 516 D CB 0.053 40.850 40.800 -0.004 0.000 0.936 516 D HN 0.539 nan 8.370 nan 0.000 0.462 517 Q N -0.026 119.804 119.800 0.050 0.000 2.515 517 Q HA -0.068 4.261 4.340 -0.019 0.000 0.215 517 Q C 2.209 178.217 176.000 0.013 0.000 0.983 517 Q CA 0.183 56.016 55.803 0.049 0.000 0.905 517 Q CB -0.007 28.786 28.738 0.092 0.000 0.961 517 Q HN 0.397 nan 8.270 nan 0.000 0.503 518 L N -0.155 121.070 121.223 0.002 0.000 2.275 518 L HA -0.165 4.163 4.340 -0.019 0.000 0.215 518 L C 2.206 179.058 176.870 -0.030 0.000 1.119 518 L CA 0.743 55.550 54.840 -0.055 0.000 0.790 518 L CB -0.316 41.724 42.059 -0.032 0.000 0.919 518 L HN 0.214 nan 8.230 nan 0.000 0.443 519 R N 0.573 121.070 120.500 -0.005 0.000 2.117 519 R HA -0.213 4.116 4.340 -0.019 0.000 0.243 519 R C 2.113 178.416 176.300 0.004 0.000 1.143 519 R CA 1.351 57.452 56.100 0.002 0.000 0.968 519 R CB -0.359 29.942 30.300 0.002 0.000 0.863 519 R HN 0.387 nan 8.270 nan 0.000 0.444 520 K N 0.659 121.061 120.400 0.002 0.000 2.293 520 K HA -0.147 4.162 4.320 -0.019 0.000 0.204 520 K C 1.878 178.518 176.600 0.066 0.000 1.045 520 K CA 1.008 57.311 56.287 0.026 0.000 0.933 520 K CB -0.174 32.339 32.500 0.022 0.000 0.736 520 K HN 0.258 nan 8.250 nan 0.000 0.463 521 L N 0.470 121.689 121.223 -0.006 0.000 2.465 521 L HA -0.113 4.215 4.340 -0.019 0.000 0.224 521 L C 1.854 178.759 176.870 0.058 0.000 1.145 521 L CA -0.006 54.813 54.840 -0.034 0.000 0.834 521 L CB -0.243 41.744 42.059 -0.121 0.000 0.944 521 L HN 0.141 nan 8.230 nan 0.000 0.451 522 L N 0.256 121.506 121.223 0.045 0.000 2.083 522 L HA -0.177 4.152 4.340 -0.019 0.000 0.209 522 L C 2.668 179.543 176.870 0.007 0.000 1.083 522 L CA 1.960 56.819 54.840 0.031 0.000 0.752 522 L CB -1.024 41.043 42.059 0.013 0.000 0.899 522 L HN 0.348 nan 8.230 nan 0.000 0.433 523 S N -2.400 113.285 115.700 -0.025 0.000 2.723 523 S HA -0.100 4.359 4.470 -0.019 0.000 0.231 523 S C 1.014 175.386 174.600 -0.381 0.000 0.967 523 S CA 0.353 58.446 58.200 -0.178 0.000 0.958 523 S CB -0.675 62.387 63.200 -0.231 0.000 0.778 523 S HN 0.494 nan 8.310 nan 0.000 0.537 524 Y N -1.217 118.987 120.300 -0.159 0.000 2.626 524 Y HA 0.400 4.947 4.550 -0.004 0.000 0.248 524 Y C 1.809 177.685 175.900 -0.040 0.000 1.147 524 Y CA -0.484 57.492 58.100 -0.207 0.000 1.219 524 Y CB 0.405 38.502 38.460 -0.606 0.000 1.279 524 Y HN 0.282 nan 8.280 nan 0.000 0.541 525 V N 0.408 120.384 119.914 0.103 0.000 2.759 525 V HA -0.198 3.911 4.120 -0.019 0.000 0.256 525 V C 1.013 177.169 176.094 0.103 0.000 1.080 525 V CA 2.261 64.637 62.300 0.126 0.000 1.101 525 V CB 0.014 31.880 31.823 0.072 0.000 0.698 525 V HN 0.357 nan 8.190 nan 0.000 0.477 526 D N -0.836 119.599 120.400 0.059 0.000 2.398 526 D HA 0.095 4.723 4.640 -0.019 0.000 0.210 526 D C 0.471 176.805 176.300 0.057 0.000 1.094 526 D CA -0.034 53.992 54.000 0.044 0.000 0.839 526 D CB 0.163 40.967 40.800 0.007 0.000 0.963 526 D HN 0.466 nan 8.370 nan 0.000 0.506 527 D N 1.516 121.972 120.400 0.094 0.000 2.383 527 D HA -0.046 4.583 4.640 -0.019 0.000 0.252 527 D C 1.039 177.435 176.300 0.160 0.000 1.166 527 D CA 0.110 54.184 54.000 0.122 0.000 0.879 527 D CB 1.919 42.832 40.800 0.189 0.000 1.164 527 D HN -0.177 nan 8.370 nan 0.000 0.462 528 E N 3.131 123.396 120.200 0.109 0.000 2.152 528 E HA -0.059 4.280 4.350 -0.019 0.000 0.192 528 E C 1.687 178.347 176.600 0.100 0.000 0.983 528 E CA 1.222 57.675 56.400 0.088 0.000 0.818 528 E CB -0.021 29.712 29.700 0.054 0.000 0.758 528 E HN 0.563 nan 8.360 nan 0.000 0.467 529 A N -0.251 122.645 122.820 0.126 0.000 1.897 529 A HA -0.092 4.217 4.320 -0.019 0.000 0.215 529 A C 2.162 179.836 177.584 0.149 0.000 1.181 529 A CA 1.104 53.212 52.037 0.118 0.000 0.620 529 A CB -0.900 18.172 19.000 0.121 0.000 0.821 529 A HN 0.435 nan 8.150 nan 0.000 0.443 530 F N 0.504 120.486 119.950 0.053 0.000 2.134 530 F HA -0.163 4.353 4.527 -0.017 0.000 0.299 530 F C 1.987 177.805 175.800 0.029 0.000 1.097 530 F CA 1.663 59.685 58.000 0.038 0.000 1.264 530 F CB -0.134 38.911 39.000 0.076 0.000 1.001 530 F HN 0.172 nan 8.300 nan 0.000 0.479 531 I N 0.325 120.949 120.570 0.089 0.000 2.118 531 I HA -0.377 3.781 4.170 -0.019 0.000 0.241 531 I C 2.633 178.704 176.117 -0.077 0.000 1.070 531 I CA 1.897 63.191 61.300 -0.010 0.000 1.327 531 I CB -0.551 37.485 38.000 0.060 0.000 1.034 531 I HN 0.099 nan 8.210 nan 0.000 0.405 532 R N 0.892 121.370 120.500 -0.037 0.000 2.091 532 R HA -0.215 4.114 4.340 -0.019 0.000 0.238 532 R C 1.869 178.118 176.300 -0.086 0.000 1.136 532 R CA 2.091 58.165 56.100 -0.044 0.000 0.959 532 R CB -0.247 30.045 30.300 -0.013 0.000 0.856 532 R HN 0.313 nan 8.270 nan 0.000 0.437 533 D N -0.077 120.246 120.400 -0.129 0.000 2.084 533 D HA -0.131 4.498 4.640 -0.019 0.000 0.194 533 D C 2.015 178.168 176.300 -0.246 0.000 0.990 533 D CA 1.502 55.398 54.000 -0.174 0.000 0.826 533 D CB -0.324 40.368 40.800 -0.180 0.000 0.971 533 D HN 0.104 nan 8.370 nan 0.000 0.453 534 V N 1.601 121.268 119.914 -0.413 0.000 2.282 534 V HA -0.276 3.832 4.120 -0.019 0.000 0.249 534 V C 2.536 178.541 176.094 -0.148 0.000 1.057 534 V CA 2.065 64.162 62.300 -0.339 0.000 1.032 534 V CB -0.868 30.702 31.823 -0.422 0.000 0.645 534 V HN 0.204 nan 8.190 nan 0.000 0.447 535 A N -0.921 121.835 122.820 -0.108 0.000 1.969 535 A HA -0.231 4.078 4.320 -0.019 0.000 0.218 535 A C 2.343 179.896 177.584 -0.053 0.000 1.169 535 A CA 2.013 54.022 52.037 -0.048 0.000 0.635 535 A CB -0.420 18.556 19.000 -0.039 0.000 0.810 535 A HN 0.529 nan 8.150 nan 0.000 0.445 536 K N -0.458 119.902 120.400 -0.067 0.000 2.062 536 K HA -0.022 4.287 4.320 -0.019 0.000 0.205 536 K C 1.838 178.412 176.600 -0.043 0.000 1.051 536 K CA 1.211 57.468 56.287 -0.051 0.000 0.941 536 K CB -0.180 32.291 32.500 -0.049 0.000 0.719 536 K HN 0.228 nan 8.250 nan 0.000 0.440 537 V N 1.709 121.591 119.914 -0.054 0.000 2.332 537 V HA -0.260 3.849 4.120 -0.019 0.000 0.248 537 V C 2.291 178.374 176.094 -0.019 0.000 1.055 537 V CA 1.864 64.142 62.300 -0.037 0.000 1.038 537 V CB -0.405 31.388 31.823 -0.050 0.000 0.651 537 V HN 0.311 nan 8.190 nan 0.000 0.450 538 K N 0.349 120.737 120.400 -0.020 0.000 2.063 538 K HA -0.238 4.071 4.320 -0.019 0.000 0.208 538 K C 2.147 178.732 176.600 -0.025 0.000 1.048 538 K CA 1.803 58.089 56.287 -0.001 0.000 0.928 538 K CB -0.503 32.015 32.500 0.030 0.000 0.713 538 K HN 0.377 nan 8.250 nan 0.000 0.442 539 Q N 0.859 120.636 119.800 -0.039 0.000 2.167 539 Q HA -0.078 4.250 4.340 -0.019 0.000 0.202 539 Q C 1.625 177.610 176.000 -0.024 0.000 0.970 539 Q CA 1.788 57.559 55.803 -0.054 0.000 0.855 539 Q CB -0.022 28.684 28.738 -0.052 0.000 0.911 539 Q HN 0.509 nan 8.270 nan 0.000 0.438 540 E N -0.564 119.633 120.200 -0.006 0.000 2.072 540 E HA -0.137 4.202 4.350 -0.019 0.000 0.191 540 E C 1.678 178.305 176.600 0.045 0.000 0.985 540 E CA 0.969 57.379 56.400 0.017 0.000 0.801 540 E CB -0.021 29.686 29.700 0.012 0.000 0.750 540 E HN 0.392 nan 8.360 nan 0.000 0.452 541 N N 0.958 119.685 118.700 0.044 0.000 2.166 541 N HA -0.148 4.581 4.740 -0.019 0.000 0.186 541 N C 1.455 177.054 175.510 0.149 0.000 1.019 541 N CA 1.090 54.189 53.050 0.082 0.000 0.856 541 N CB -0.076 38.443 38.487 0.055 0.000 0.993 541 N HN 0.133 nan 8.380 nan 0.000 0.426 542 K N 0.445 120.896 120.400 0.084 0.000 2.062 542 K HA 0.052 4.361 4.320 -0.019 0.000 0.205 542 K C 2.109 178.833 176.600 0.206 0.000 1.051 542 K CA 0.551 56.898 56.287 0.101 0.000 0.941 542 K CB -0.161 32.142 32.500 -0.328 0.000 0.719 542 K HN 0.088 nan 8.250 nan 0.000 0.440 543 L N 1.343 122.630 121.223 0.107 0.000 2.046 543 L HA -0.203 4.126 4.340 -0.019 0.000 0.208 543 L C 2.626 179.584 176.870 0.147 0.000 1.077 543 L CA 1.342 56.250 54.840 0.113 0.000 0.747 543 L CB -0.283 41.813 42.059 0.062 0.000 0.896 543 L HN 0.155 nan 8.230 nan 0.000 0.432 544 K N -0.471 120.022 120.400 0.156 0.000 2.057 544 K HA -0.222 4.087 4.320 -0.019 0.000 0.207 544 K C 2.183 178.924 176.600 0.236 0.000 1.049 544 K CA 1.613 57.999 56.287 0.164 0.000 0.931 544 K CB -0.130 32.455 32.500 0.141 0.000 0.714 544 K HN 0.115 nan 8.250 nan 0.000 0.440 545 F N 1.126 121.172 119.950 0.159 0.000 2.206 545 F HA -0.031 4.485 4.527 -0.019 0.000 0.298 545 F C 1.964 177.901 175.800 0.228 0.000 1.090 545 F CA 1.080 59.194 58.000 0.190 0.000 1.323 545 F CB -0.255 38.858 39.000 0.188 0.000 1.028 545 F HN 0.020 nan 8.300 nan 0.000 0.492 546 A N 0.116 123.085 122.820 0.247 0.000 2.019 546 A HA -0.039 4.270 4.320 -0.019 0.000 0.219 546 A C 2.331 179.919 177.584 0.006 0.000 1.164 546 A CA 1.632 53.744 52.037 0.125 0.000 0.644 546 A CB -1.334 17.807 19.000 0.234 0.000 0.805 546 A HN 0.445 nan 8.150 nan 0.000 0.449 547 A N -1.823 121.021 122.820 0.041 0.000 1.975 547 A HA 0.055 4.363 4.320 -0.019 0.000 0.215 547 A C 2.043 179.612 177.584 -0.024 0.000 1.170 547 A CA 1.237 53.280 52.037 0.010 0.000 0.656 547 A CB -0.683 18.346 19.000 0.048 0.000 0.821 547 A HN 0.685 nan 8.150 nan 0.000 0.449 548 Y N 0.668 120.882 120.300 -0.143 0.000 2.181 548 Y HA -0.172 4.367 4.550 -0.018 0.000 0.288 548 Y C 1.888 177.656 175.900 -0.220 0.000 1.146 548 Y CA 1.762 59.755 58.100 -0.178 0.000 1.164 548 Y CB -0.201 38.146 38.460 -0.188 0.000 0.982 548 Y HN 0.209 nan 8.280 nan 0.000 0.515 549 L N -0.044 121.038 121.223 -0.235 0.000 2.017 549 L HA -0.214 4.115 4.340 -0.019 0.000 0.208 549 L C 2.532 179.278 176.870 -0.207 0.000 1.073 549 L CA 1.710 56.423 54.840 -0.212 0.000 0.745 549 L CB -0.584 41.333 42.059 -0.237 0.000 0.894 549 L HN 0.326 nan 8.230 nan 0.000 0.432 550 E N 0.083 120.143 120.200 -0.233 0.000 2.023 550 E HA -0.254 4.085 4.350 -0.019 0.000 0.196 550 E C 2.329 178.794 176.600 -0.225 0.000 1.003 550 E CA 1.512 57.751 56.400 -0.268 0.000 0.809 550 E CB -0.018 29.549 29.700 -0.222 0.000 0.755 550 E HN 0.388 nan 8.360 nan 0.000 0.449 551 R N 0.305 120.672 120.500 -0.222 0.000 2.092 551 R HA -0.118 4.211 4.340 -0.019 0.000 0.231 551 R C 2.056 178.168 176.300 -0.313 0.000 1.119 551 R CA 1.184 57.155 56.100 -0.215 0.000 0.970 551 R CB -0.011 30.185 30.300 -0.172 0.000 0.864 551 R HN 0.046 nan 8.270 nan 0.000 0.440 552 E N -1.799 118.097 120.200 -0.507 0.000 2.415 552 E HA 0.027 4.365 4.350 -0.019 0.000 0.197 552 E C -0.046 176.010 176.600 -0.905 0.000 1.007 552 E CA 0.554 56.493 56.400 -0.769 0.000 0.890 552 E CB 0.564 29.559 29.700 -1.175 0.000 0.891 552 E HN 0.295 nan 8.360 nan 0.000 0.496 553 Y N -0.498 119.656 120.300 -0.244 0.000 2.791 553 Y HA 0.248 4.787 4.550 -0.019 0.000 0.263 553 Y C -0.347 175.483 175.900 -0.117 0.000 1.089 553 Y CA -0.741 57.271 58.100 -0.148 0.000 1.253 553 Y CB 0.816 39.199 38.460 -0.129 0.000 1.360 553 Y HN -0.264 nan 8.280 nan 0.000 0.569 554 K N 0.776 121.148 120.400 -0.047 0.000 3.311 554 K HA -0.137 4.172 4.320 -0.019 0.000 0.270 554 K C -0.555 176.009 176.600 -0.060 0.000 0.927 554 K CA 0.868 57.118 56.287 -0.062 0.000 0.706 554 K CB -2.201 30.314 32.500 0.024 0.000 1.418 554 K HN 0.265 nan 8.250 nan 0.000 0.459 555 V N -2.305 117.509 119.914 -0.166 0.000 2.656 555 V HA 0.529 4.638 4.120 -0.019 0.000 0.307 555 V C -0.103 175.836 176.094 -0.258 0.000 1.051 555 V CA -1.046 61.191 62.300 -0.106 0.000 0.893 555 V CB 1.959 33.761 31.823 -0.034 0.000 0.999 555 V HN 0.315 nan 8.190 nan 0.000 0.426 556 H N 4.955 124.022 119.070 -0.005 0.000 2.673 556 H HA 0.705 5.250 4.556 -0.019 0.000 0.293 556 H C -0.012 175.319 175.328 0.005 0.000 1.065 556 H CA -0.260 55.790 56.048 0.002 0.000 1.236 556 H CB 1.289 31.053 29.762 0.004 0.000 1.389 556 H HN 0.922 nan 8.280 nan 0.000 0.481 557 I N -0.299 120.324 120.570 0.089 0.000 2.493 557 I HA 0.464 4.622 4.170 -0.019 0.000 0.298 557 I C -0.067 176.137 176.117 0.146 0.000 0.998 557 I CA -1.277 60.082 61.300 0.098 0.000 1.137 557 I CB 1.844 39.883 38.000 0.065 0.000 1.310 557 I HN 0.328 nan 8.210 nan 0.000 0.445 558 N N 6.631 125.416 118.700 0.141 0.000 2.420 558 N HA 0.307 5.036 4.740 -0.019 0.000 0.262 558 N C -1.994 173.634 175.510 0.198 0.000 1.144 558 N CA -2.125 51.007 53.050 0.136 0.000 0.952 558 N CB 0.904 39.445 38.487 0.091 0.000 1.081 558 N HN 0.410 nan 8.380 nan 0.000 0.480 559 P HA 0.106 nan 4.420 nan 0.000 0.245 559 P C -0.091 177.174 177.300 -0.059 0.000 1.212 559 P CA 0.642 63.799 63.100 0.094 0.000 0.774 559 P CB 0.290 32.037 31.700 0.078 0.000 0.999 560 N N -1.097 117.607 118.700 0.006 0.000 2.373 560 N HA -0.010 4.719 4.740 -0.019 0.000 0.181 560 N C 0.409 175.936 175.510 0.029 0.000 1.082 560 N CA 0.055 53.102 53.050 -0.004 0.000 0.885 560 N CB -0.046 38.453 38.487 0.020 0.000 0.977 560 N HN 0.116 nan 8.380 nan 0.000 0.462 561 S N -0.099 115.624 115.700 0.039 0.000 2.608 561 S HA 0.167 4.626 4.470 -0.019 0.000 0.261 561 S C 0.152 174.703 174.600 -0.082 0.000 1.314 561 S CA -0.846 57.369 58.200 0.025 0.000 0.992 561 S CB 0.841 64.087 63.200 0.078 0.000 0.935 561 S HN 0.199 nan 8.310 nan 0.000 0.564 562 L N 1.522 122.569 121.223 -0.294 0.000 2.360 562 L HA 0.375 4.704 4.340 -0.019 0.000 0.276 562 L C -0.856 175.997 176.870 -0.030 0.000 1.121 562 L CA -0.536 53.962 54.840 -0.569 0.000 0.845 562 L CB -0.087 41.382 42.059 -0.984 0.000 1.143 562 L HN 0.694 nan 8.230 nan 0.000 0.452 563 F N 4.164 123.984 119.950 -0.216 0.000 2.423 563 F HA 0.100 4.617 4.527 -0.018 0.000 0.356 563 F C 0.381 176.117 175.800 -0.107 0.000 1.170 563 F CA -0.787 57.152 58.000 -0.102 0.000 1.163 563 F CB 0.523 39.504 39.000 -0.031 0.000 1.318 563 F HN 0.510 nan 8.300 nan 0.000 0.569 564 D N 4.791 125.197 120.400 0.010 0.000 2.412 564 D HA 0.238 4.867 4.640 -0.019 0.000 0.224 564 D C -1.092 175.151 176.300 -0.095 0.000 1.093 564 D CA -0.063 53.900 54.000 -0.063 0.000 0.850 564 D CB 1.493 42.243 40.800 -0.084 0.000 1.046 564 D HN 0.265 nan 8.370 nan 0.000 0.507 565 V N 3.311 123.154 119.914 -0.119 0.000 2.656 565 V HA 0.548 4.657 4.120 -0.019 0.000 0.307 565 V C -1.423 174.531 176.094 -0.234 0.000 1.051 565 V CA -0.657 61.554 62.300 -0.149 0.000 0.893 565 V CB 1.859 33.640 31.823 -0.071 0.000 0.999 565 V HN 0.539 nan 8.190 nan 0.000 0.426 566 Q N 4.771 124.443 119.800 -0.214 0.000 2.394 566 Q HA 0.670 4.999 4.340 -0.019 0.000 0.261 566 Q C -1.429 174.405 176.000 -0.276 0.000 1.023 566 Q CA -0.631 55.029 55.803 -0.237 0.000 0.720 566 Q CB 1.840 30.469 28.738 -0.183 0.000 1.241 566 Q HN 1.114 nan 8.270 nan 0.000 0.483 567 V N 1.587 121.324 119.914 -0.296 0.000 2.487 567 V HA 0.892 5.001 4.120 -0.019 0.000 0.298 567 V C -0.964 174.868 176.094 -0.437 0.000 1.028 567 V CA -0.529 61.421 62.300 -0.584 0.000 0.860 567 V CB 1.239 32.478 31.823 -0.973 0.000 0.991 567 V HN 0.859 nan 8.190 nan 0.000 0.427 568 K N 2.542 122.717 120.400 -0.375 0.000 3.191 568 K HA 0.387 4.695 4.320 -0.019 0.000 0.325 568 K C -1.287 175.317 176.600 0.005 0.000 1.105 568 K CA -1.196 55.057 56.287 -0.057 0.000 0.843 568 K CB 0.748 33.203 32.500 -0.075 0.000 1.452 568 K HN 0.471 nan 8.250 nan 0.000 0.393 569 R N 1.055 121.609 120.500 0.089 0.000 2.640 569 R HA 0.156 4.484 4.340 -0.019 0.000 0.270 569 R C 0.371 176.704 176.300 0.054 0.000 1.024 569 R CA -0.333 55.836 56.100 0.115 0.000 1.085 569 R CB -0.202 30.199 30.300 0.169 0.000 0.963 569 R HN 0.464 nan 8.270 nan 0.000 0.426 570 I N 4.145 124.750 120.570 0.058 0.000 2.533 570 I HA 0.062 4.221 4.170 -0.019 0.000 0.284 570 I C 0.793 176.886 176.117 -0.040 0.000 1.109 570 I CA 0.765 62.049 61.300 -0.026 0.000 1.412 570 I CB -0.368 37.599 38.000 -0.056 0.000 1.396 570 I HN 0.357 nan 8.210 nan 0.000 0.543 571 H N 4.560 123.524 119.070 -0.177 0.000 3.079 571 H HA 0.182 4.727 4.556 -0.019 0.000 0.356 571 H C 0.396 175.606 175.328 -0.197 0.000 1.221 571 H CA -0.399 55.587 56.048 -0.103 0.000 1.185 571 H CB 1.762 31.441 29.762 -0.139 0.000 1.882 571 H HN 0.587 nan 8.280 nan 0.000 0.543 572 E N 1.755 122.054 120.200 0.166 0.000 2.085 572 E HA -0.227 4.112 4.350 -0.019 0.000 0.194 572 E C 1.426 177.801 176.600 -0.374 0.000 0.994 572 E CA 1.952 58.375 56.400 0.038 0.000 0.801 572 E CB -0.025 29.880 29.700 0.341 0.000 0.743 572 E HN 0.560 nan 8.360 nan 0.000 0.453 573 Y N 0.548 120.385 120.300 -0.772 0.000 2.352 573 Y HA -0.008 4.530 4.550 -0.019 0.000 0.292 573 Y C 1.588 177.219 175.900 -0.449 0.000 1.136 573 Y CA 0.838 58.258 58.100 -1.132 0.000 1.227 573 Y CB -0.137 37.696 38.460 -1.045 0.000 0.991 573 Y HN -0.210 nan 8.280 nan 0.000 0.545 574 K N 0.733 120.604 120.400 -0.882 0.000 2.365 574 K HA 0.019 4.328 4.320 -0.019 0.000 0.199 574 K C 0.188 176.603 176.600 -0.309 0.000 1.045 574 K CA 0.728 56.638 56.287 -0.627 0.000 0.962 574 K CB -0.081 32.050 32.500 -0.615 0.000 0.759 574 K HN 0.268 nan 8.250 nan 0.000 0.469 575 R N 0.158 120.511 120.500 -0.245 0.000 3.336 575 R HA -0.241 4.088 4.340 -0.019 0.000 0.260 575 R C 0.278 176.497 176.300 -0.135 0.000 1.032 575 R CA 0.260 56.273 56.100 -0.146 0.000 0.693 575 R CB -2.021 28.214 30.300 -0.109 0.000 1.134 575 R HN 0.291 nan 8.270 nan 0.000 0.433 576 Q N 0.367 120.086 119.800 -0.135 0.000 2.268 576 Q HA -0.122 4.207 4.340 -0.019 0.000 0.210 576 Q C 2.003 177.953 176.000 -0.082 0.000 0.988 576 Q CA 1.691 57.431 55.803 -0.106 0.000 0.883 576 Q CB -0.043 28.637 28.738 -0.097 0.000 0.911 576 Q HN 0.610 nan 8.270 nan 0.000 0.430 577 L N -0.941 120.238 121.223 -0.074 0.000 2.109 577 L HA -0.152 4.177 4.340 -0.019 0.000 0.207 577 L C 1.957 178.826 176.870 -0.003 0.000 1.086 577 L CA 0.388 55.200 54.840 -0.046 0.000 0.760 577 L CB -0.300 41.744 42.059 -0.025 0.000 0.910 577 L HN 0.299 nan 8.230 nan 0.000 0.437 578 L N 0.187 121.398 121.223 -0.021 0.000 2.042 578 L HA -0.272 4.057 4.340 -0.019 0.000 0.210 578 L C 2.045 178.947 176.870 0.053 0.000 1.076 578 L CA 1.983 56.810 54.840 -0.021 0.000 0.749 578 L CB -0.871 41.062 42.059 -0.211 0.000 0.893 578 L HN 0.312 nan 8.230 nan 0.000 0.432 579 N N -1.681 117.024 118.700 0.008 0.000 2.043 579 N HA -0.247 4.482 4.740 -0.019 0.000 0.193 579 N C 2.005 177.592 175.510 0.127 0.000 1.037 579 N CA 1.780 54.915 53.050 0.142 0.000 0.851 579 N CB -0.189 38.319 38.487 0.036 0.000 1.027 579 N HN 0.490 nan 8.380 nan 0.000 0.422 580 C N 0.656 119.966 119.300 0.017 0.000 2.391 580 C HA -0.143 4.306 4.460 -0.019 0.000 0.276 580 C C 2.596 177.573 174.990 -0.021 0.000 1.217 580 C CA 0.589 59.574 59.018 -0.056 0.000 1.766 580 C CB -1.328 26.332 27.740 -0.135 0.000 2.046 580 C HN 0.507 nan 8.230 nan 0.000 0.475 581 L N -0.784 120.487 121.223 0.080 0.000 2.093 581 L HA -0.152 4.176 4.340 -0.019 0.000 0.208 581 L C 2.724 179.744 176.870 0.250 0.000 1.085 581 L CA 1.630 56.561 54.840 0.152 0.000 0.755 581 L CB -1.010 41.197 42.059 0.246 0.000 0.904 581 L HN 0.591 nan 8.230 nan 0.000 0.435 582 H N -0.082 119.093 119.070 0.174 0.000 2.357 582 H HA -0.122 4.423 4.556 -0.019 0.000 0.301 582 H C 2.239 177.564 175.328 -0.005 0.000 1.082 582 H CA 1.682 57.757 56.048 0.046 0.000 1.342 582 H CB 0.370 30.095 29.762 -0.062 0.000 1.389 582 H HN 0.076 nan 8.280 nan 0.000 0.511 583 V N 1.569 121.414 119.914 -0.116 0.000 2.287 583 V HA -0.284 3.825 4.120 -0.019 0.000 0.248 583 V C 2.808 178.841 176.094 -0.101 0.000 1.053 583 V CA 1.985 64.181 62.300 -0.174 0.000 1.027 583 V CB -0.511 31.255 31.823 -0.094 0.000 0.646 583 V HN 0.391 nan 8.190 nan 0.000 0.447 584 I N -0.408 120.137 120.570 -0.042 0.000 2.394 584 I HA -0.213 3.946 4.170 -0.019 0.000 0.251 584 I C 2.465 178.651 176.117 0.115 0.000 1.136 584 I CA 1.640 62.981 61.300 0.068 0.000 1.425 584 I CB -0.578 37.431 38.000 0.016 0.000 1.079 584 I HN 0.335 nan 8.210 nan 0.000 0.425 585 T N 1.097 115.671 114.554 0.034 0.000 2.674 585 T HA -0.147 4.192 4.350 -0.019 0.000 0.265 585 T C 1.880 176.544 174.700 -0.060 0.000 1.039 585 T CA 1.162 63.274 62.100 0.019 0.000 1.150 585 T CB -0.285 68.619 68.868 0.060 0.000 0.864 585 T HN 0.069 nan 8.240 nan 0.000 0.427 586 L N 0.294 121.403 121.223 -0.190 0.000 2.013 586 L HA -0.091 4.237 4.340 -0.019 0.000 0.212 586 L C 2.130 178.960 176.870 -0.067 0.000 1.073 586 L CA 1.664 56.390 54.840 -0.191 0.000 0.753 586 L CB -1.103 40.766 42.059 -0.315 0.000 0.890 586 L HN 0.367 nan 8.230 nan 0.000 0.432 587 Y N 0.324 120.563 120.300 -0.101 0.000 2.128 587 Y HA -0.302 4.236 4.550 -0.019 0.000 0.284 587 Y C 2.446 178.333 175.900 -0.021 0.000 1.154 587 Y CA 1.985 60.067 58.100 -0.030 0.000 1.149 587 Y CB -0.167 38.321 38.460 0.047 0.000 0.976 587 Y HN 0.296 nan 8.280 nan 0.000 0.505 588 N N 0.337 119.021 118.700 -0.026 0.000 2.244 588 N HA -0.125 4.604 4.740 -0.019 0.000 0.183 588 N C 1.840 177.251 175.510 -0.165 0.000 1.016 588 N CA 1.371 54.343 53.050 -0.130 0.000 0.866 588 N CB -0.324 38.149 38.487 -0.023 0.000 0.980 588 N HN 0.459 nan 8.380 nan 0.000 0.430 589 R N 0.447 120.871 120.500 -0.126 0.000 2.066 589 R HA 0.088 4.417 4.340 -0.019 0.000 0.232 589 R C 2.264 178.480 176.300 -0.141 0.000 1.131 589 R CA 0.722 56.753 56.100 -0.115 0.000 0.955 589 R CB -0.295 29.948 30.300 -0.095 0.000 0.851 589 R HN 0.184 nan 8.270 nan 0.000 0.432 590 I N 1.156 121.622 120.570 -0.173 0.000 2.118 590 I HA -0.333 3.826 4.170 -0.019 0.000 0.241 590 I C 2.239 178.234 176.117 -0.203 0.000 1.070 590 I CA 1.385 62.577 61.300 -0.180 0.000 1.327 590 I CB -0.205 37.684 38.000 -0.184 0.000 1.034 590 I HN 0.044 nan 8.210 nan 0.000 0.405 591 K N 0.665 120.878 120.400 -0.312 0.000 2.152 591 K HA -0.214 4.095 4.320 -0.019 0.000 0.206 591 K C 2.029 178.528 176.600 -0.168 0.000 1.048 591 K CA 1.266 57.384 56.287 -0.281 0.000 0.933 591 K CB -0.339 31.913 32.500 -0.413 0.000 0.721 591 K HN 0.350 nan 8.250 nan 0.000 0.447 592 K N 1.080 121.390 120.400 -0.150 0.000 2.031 592 K HA -0.086 4.223 4.320 -0.019 0.000 0.205 592 K C 0.094 176.647 176.600 -0.079 0.000 1.049 592 K CA 1.105 57.331 56.287 -0.102 0.000 0.939 592 K CB 0.289 32.735 32.500 -0.091 0.000 0.717 592 K HN 0.073 nan 8.250 nan 0.000 0.438 593 E N 0.407 120.560 120.200 -0.080 0.000 2.916 593 E HA 0.121 4.460 4.350 -0.019 0.000 0.217 593 E C -2.286 174.277 176.600 -0.061 0.000 1.100 593 E CA -1.701 54.664 56.400 -0.058 0.000 0.891 593 E CB 1.674 31.346 29.700 -0.046 0.000 1.311 593 E HN 0.159 nan 8.360 nan 0.000 0.421 594 P HA -0.116 nan 4.420 nan 0.000 0.220 594 P C 0.239 177.517 177.300 -0.038 0.000 1.148 594 P CA 1.177 64.242 63.100 -0.060 0.000 0.803 594 P CB 0.238 31.908 31.700 -0.050 0.000 0.782 595 N N -1.661 117.027 118.700 -0.021 0.000 2.230 595 N HA 0.027 4.756 4.740 -0.019 0.000 0.202 595 N C 0.554 176.077 175.510 0.022 0.000 1.119 595 N CA -0.181 52.870 53.050 0.001 0.000 0.851 595 N CB 0.181 38.670 38.487 0.003 0.000 0.990 595 N HN -0.048 nan 8.380 nan 0.000 0.497 596 K N 1.015 121.421 120.400 0.010 0.000 2.237 596 K HA 0.103 4.411 4.320 -0.019 0.000 0.270 596 K C -0.687 175.952 176.600 0.066 0.000 1.015 596 K CA -0.340 55.969 56.287 0.037 0.000 0.949 596 K CB 0.505 33.008 32.500 0.005 0.000 0.976 596 K HN -0.030 nan 8.250 nan 0.000 0.472 597 F N 3.709 123.644 119.950 -0.025 0.000 2.412 597 F HA 0.231 4.747 4.527 -0.019 0.000 0.348 597 F C -0.309 175.474 175.800 -0.027 0.000 1.102 597 F CA -0.350 57.636 58.000 -0.024 0.000 1.196 597 F CB 0.682 39.671 39.000 -0.019 0.000 1.144 597 F HN 0.154 nan 8.300 nan 0.000 0.541 598 V N 4.409 123.786 119.914 -0.895 0.000 2.709 598 V HA 0.534 4.643 4.120 -0.019 0.000 0.308 598 V C -0.834 174.661 176.094 -0.998 0.000 1.062 598 V CA -1.150 60.731 62.300 -0.697 0.000 0.901 598 V CB 0.983 32.593 31.823 -0.356 0.000 1.003 598 V HN 0.601 nan 8.190 nan 0.000 0.425 599 V N 6.315 125.896 119.914 -0.555 0.000 2.458 599 V HA 0.186 4.295 4.120 -0.019 0.000 0.287 599 V C -1.520 174.416 176.094 -0.265 0.000 1.009 599 V CA -0.351 61.767 62.300 -0.304 0.000 1.091 599 V CB 0.258 32.036 31.823 -0.075 0.000 0.960 599 V HN 0.930 nan 8.190 nan 0.000 0.476 600 P HA 0.359 nan 4.420 nan 0.000 0.275 600 P C -0.498 176.723 177.300 -0.131 0.000 1.227 600 P CA -0.298 62.711 63.100 -0.151 0.000 0.781 600 P CB 0.963 32.613 31.700 -0.084 0.000 0.906 601 R N 0.628 121.063 120.500 -0.108 0.000 2.744 601 R HA 0.558 4.887 4.340 -0.019 0.000 0.279 601 R C -0.642 175.636 176.300 -0.036 0.000 0.977 601 R CA -0.628 55.414 56.100 -0.097 0.000 0.906 601 R CB 2.108 32.334 30.300 -0.124 0.000 1.197 601 R HN 0.343 nan 8.270 nan 0.000 0.463 602 T N 1.936 116.495 114.554 0.007 0.000 2.821 602 T HA 0.240 4.579 4.350 -0.019 0.000 0.307 602 T C -0.373 174.272 174.700 -0.092 0.000 1.034 602 T CA -0.517 61.561 62.100 -0.037 0.000 0.953 602 T CB 1.115 69.949 68.868 -0.056 0.000 0.968 602 T HN 0.141 nan 8.240 nan 0.000 0.462 603 V N 5.879 125.738 119.914 -0.092 0.000 2.385 603 V HA 0.375 4.484 4.120 -0.019 0.000 0.269 603 V C 0.150 176.175 176.094 -0.116 0.000 1.043 603 V CA -0.347 61.896 62.300 -0.095 0.000 0.906 603 V CB 0.341 32.121 31.823 -0.071 0.000 0.995 603 V HN 0.855 nan 8.190 nan 0.000 0.467 604 M N 6.809 126.323 119.600 -0.144 0.000 2.167 604 M HA 0.608 5.076 4.480 -0.019 0.000 0.333 604 M C -0.952 175.240 176.300 -0.181 0.000 1.030 604 M CA -0.149 55.053 55.300 -0.164 0.000 0.963 604 M CB 1.803 34.289 32.600 -0.189 0.000 1.589 604 M HN 0.419 nan 8.290 nan 0.000 0.431 605 I N 1.939 122.390 120.570 -0.198 0.000 2.465 605 I HA 0.858 5.016 4.170 -0.019 0.000 0.291 605 I C 0.161 175.966 176.117 -0.521 0.000 1.014 605 I CA -0.626 60.533 61.300 -0.234 0.000 1.093 605 I CB 2.274 40.230 38.000 -0.074 0.000 1.267 605 I HN 0.810 nan 8.210 nan 0.000 0.431 606 G N 2.870 111.328 108.800 -0.570 0.000 2.692 606 G HA2 0.829 4.778 3.960 -0.019 0.000 0.291 606 G HA3 0.829 4.778 3.960 -0.019 0.000 0.291 606 G C -0.992 173.634 174.900 -0.458 0.000 1.423 606 G CA -0.659 43.945 45.100 -0.828 0.000 0.843 606 G HN 1.010 nan 8.290 nan 0.000 0.486 607 G N -0.581 108.102 108.800 -0.195 0.000 2.321 607 G HA2 0.376 4.325 3.960 -0.019 0.000 0.339 607 G HA3 0.376 4.325 3.960 -0.019 0.000 0.339 607 G C -1.212 173.836 174.900 0.246 0.000 1.518 607 G CA -1.027 44.127 45.100 0.090 0.000 0.994 607 G HN 0.607 nan 8.290 nan 0.000 0.668 608 K N 0.019 120.559 120.400 0.233 0.000 2.118 608 K HA 0.734 5.043 4.320 -0.019 0.000 0.267 608 K C 0.393 177.140 176.600 0.246 0.000 0.991 608 K CA -0.069 56.374 56.287 0.260 0.000 0.916 608 K CB 1.965 34.532 32.500 0.111 0.000 1.041 608 K HN 0.910 nan 8.250 nan 0.000 0.455 609 A N 1.532 124.521 122.820 0.282 0.000 2.306 609 A HA 0.611 4.920 4.320 -0.019 0.000 0.314 609 A C -0.347 177.414 177.584 0.295 0.000 1.164 609 A CA -0.714 51.428 52.037 0.174 0.000 0.822 609 A CB 0.873 19.889 19.000 0.027 0.000 1.130 609 A HN 0.784 nan 8.150 nan 0.000 0.496 610 A N 3.751 126.726 122.820 0.260 0.000 2.520 610 A HA 0.456 4.764 4.320 -0.019 0.000 0.245 610 A C -1.265 176.396 177.584 0.128 0.000 1.072 610 A CA -0.774 51.415 52.037 0.253 0.000 0.761 610 A CB -0.417 18.711 19.000 0.212 0.000 1.004 610 A HN 0.619 nan 8.150 nan 0.000 0.499 611 P HA -0.217 nan 4.420 nan 0.000 0.218 611 P C 1.592 178.884 177.300 -0.015 0.000 1.154 611 P CA 2.287 65.333 63.100 -0.091 0.000 0.872 611 P CB 0.146 31.758 31.700 -0.148 0.000 0.790 612 G N -2.707 106.106 108.800 0.021 0.000 2.494 612 G HA2 -0.182 3.767 3.960 -0.019 0.000 0.216 612 G HA3 -0.182 3.767 3.960 -0.019 0.000 0.216 612 G C 0.326 175.266 174.900 0.067 0.000 1.140 612 G CA -0.207 44.908 45.100 0.025 0.000 0.801 612 G HN 0.312 nan 8.290 nan 0.000 0.536 613 Y N 2.343 122.574 120.300 -0.115 0.000 2.683 613 Y HA -0.009 4.530 4.550 -0.019 0.000 0.355 613 Y C 1.861 177.737 175.900 -0.039 0.000 1.199 613 Y CA -0.664 57.348 58.100 -0.147 0.000 1.654 613 Y CB -0.025 38.305 38.460 -0.218 0.000 1.361 613 Y HN 0.336 nan 8.280 nan 0.000 0.493 614 H N 4.306 123.489 119.070 0.188 0.000 2.321 614 H HA -0.217 4.327 4.556 -0.019 0.000 0.300 614 H C 1.869 177.235 175.328 0.063 0.000 1.087 614 H CA 2.064 58.171 56.048 0.099 0.000 1.319 614 H CB 0.333 30.146 29.762 0.085 0.000 1.379 614 H HN 0.731 nan 8.280 nan 0.000 0.501 615 M N 1.340 120.915 119.600 -0.041 0.000 2.065 615 M HA -0.110 4.359 4.480 -0.019 0.000 0.259 615 M C 2.638 178.699 176.300 -0.398 0.000 1.069 615 M CA 2.049 57.241 55.300 -0.180 0.000 1.110 615 M CB -0.968 31.688 32.600 0.093 0.000 1.328 615 M HN 0.337 nan 8.290 nan 0.000 0.405 616 A N -0.375 121.965 122.820 -0.801 0.000 1.986 616 A HA -0.229 4.079 4.320 -0.019 0.000 0.220 616 A C 2.194 179.558 177.584 -0.367 0.000 1.171 616 A CA 2.052 53.630 52.037 -0.765 0.000 0.640 616 A CB -0.771 17.526 19.000 -1.172 0.000 0.811 616 A HN 0.629 nan 8.150 nan 0.000 0.451 617 K N -1.329 118.912 120.400 -0.264 0.000 2.155 617 K HA -0.007 4.302 4.320 -0.019 0.000 0.203 617 K C 1.881 178.424 176.600 -0.096 0.000 1.052 617 K CA 1.061 57.286 56.287 -0.104 0.000 0.948 617 K CB -0.188 32.322 32.500 0.016 0.000 0.728 617 K HN 0.367 nan 8.250 nan 0.000 0.448 618 M N 0.574 120.073 119.600 -0.169 0.000 2.200 618 M HA -0.058 4.411 4.480 -0.019 0.000 0.265 618 M C 2.141 178.370 176.300 -0.117 0.000 1.066 618 M CA 1.335 56.573 55.300 -0.104 0.000 1.127 618 M CB -0.597 31.929 32.600 -0.123 0.000 1.379 618 M HN 0.102 nan 8.290 nan 0.000 0.420 619 I N 0.004 120.469 120.570 -0.174 0.000 2.179 619 I HA -0.324 3.835 4.170 -0.019 0.000 0.242 619 I C 2.316 178.297 176.117 -0.225 0.000 1.088 619 I CA 1.172 62.361 61.300 -0.184 0.000 1.357 619 I CB -0.349 37.540 38.000 -0.185 0.000 1.051 619 I HN 0.174 nan 8.210 nan 0.000 0.409 620 I N 0.663 121.073 120.570 -0.266 0.000 2.163 620 I HA -0.337 3.821 4.170 -0.019 0.000 0.243 620 I C 2.620 178.442 176.117 -0.491 0.000 1.085 620 I CA 1.392 62.431 61.300 -0.434 0.000 1.347 620 I CB -0.361 37.360 38.000 -0.464 0.000 1.044 620 I HN 0.187 nan 8.210 nan 0.000 0.408 621 K N 1.480 121.604 120.400 -0.461 0.000 2.057 621 K HA -0.162 4.147 4.320 -0.019 0.000 0.207 621 K C 2.043 178.471 176.600 -0.286 0.000 1.049 621 K CA 1.498 57.429 56.287 -0.593 0.000 0.931 621 K CB -0.594 31.285 32.500 -1.035 0.000 0.714 621 K HN 0.230 nan 8.250 nan 0.000 0.440 622 L N 0.475 121.589 121.223 -0.182 0.000 1.989 622 L HA -0.186 4.143 4.340 -0.019 0.000 0.211 622 L C 2.218 178.881 176.870 -0.346 0.000 1.071 622 L CA 1.892 56.506 54.840 -0.377 0.000 0.749 622 L CB -0.386 41.351 42.059 -0.536 0.000 0.890 622 L HN 0.279 nan 8.230 nan 0.000 0.431 623 I N -0.062 120.339 120.570 -0.281 0.000 2.151 623 I HA -0.363 3.796 4.170 -0.019 0.000 0.243 623 I C 2.620 178.639 176.117 -0.163 0.000 1.080 623 I CA 2.045 63.228 61.300 -0.195 0.000 1.339 623 I CB -0.610 37.345 38.000 -0.075 0.000 1.039 623 I HN 0.454 nan 8.210 nan 0.000 0.409 624 T N -1.061 113.372 114.554 -0.203 0.000 2.857 624 T HA -0.013 4.326 4.350 -0.019 0.000 0.266 624 T C 2.014 176.654 174.700 -0.100 0.000 1.048 624 T CA 0.807 62.821 62.100 -0.144 0.000 1.139 624 T CB -0.468 68.274 68.868 -0.209 0.000 0.874 624 T HN 0.334 nan 8.240 nan 0.000 0.455 625 A N 1.697 124.451 122.820 -0.109 0.000 1.908 625 A HA 0.070 4.379 4.320 -0.019 0.000 0.218 625 A C 2.369 179.961 177.584 0.014 0.000 1.181 625 A CA 1.503 53.538 52.037 -0.003 0.000 0.627 625 A CB -0.897 18.183 19.000 0.134 0.000 0.818 625 A HN 0.597 nan 8.150 nan 0.000 0.445 626 I N -0.349 120.139 120.570 -0.137 0.000 2.142 626 I HA -0.204 3.955 4.170 -0.019 0.000 0.240 626 I C 2.756 178.837 176.117 -0.060 0.000 1.078 626 I CA 1.175 62.382 61.300 -0.155 0.000 1.343 626 I CB -0.751 37.044 38.000 -0.341 0.000 1.046 626 I HN 0.387 nan 8.210 nan 0.000 0.405 627 G N 0.467 109.229 108.800 -0.063 0.000 2.469 627 G HA2 -0.293 3.656 3.960 -0.019 0.000 0.220 627 G HA3 -0.293 3.656 3.960 -0.019 0.000 0.220 627 G C 1.252 176.169 174.900 0.028 0.000 1.136 627 G CA 1.251 46.333 45.100 -0.031 0.000 0.759 627 G HN 0.304 nan 8.290 nan 0.000 0.562 628 D N -0.191 120.249 120.400 0.066 0.000 2.178 628 D HA -0.052 4.577 4.640 -0.019 0.000 0.202 628 D C 2.702 179.097 176.300 0.158 0.000 0.974 628 D CA 0.558 54.647 54.000 0.148 0.000 0.841 628 D CB -0.133 40.700 40.800 0.055 0.000 0.953 628 D HN 0.258 nan 8.370 nan 0.000 0.478 629 V N 0.062 120.003 119.914 0.045 0.000 2.379 629 V HA -0.111 3.998 4.120 -0.019 0.000 0.243 629 V C 2.496 178.561 176.094 -0.048 0.000 1.035 629 V CA 0.724 62.991 62.300 -0.056 0.000 1.035 629 V CB -0.030 31.677 31.823 -0.193 0.000 0.673 629 V HN 0.029 nan 8.190 nan 0.000 0.457 630 V N 0.690 120.544 119.914 -0.101 0.000 2.379 630 V HA -0.135 3.974 4.120 -0.019 0.000 0.245 630 V C 2.106 178.195 176.094 -0.008 0.000 1.044 630 V CA 1.711 63.965 62.300 -0.077 0.000 1.036 630 V CB -0.743 31.015 31.823 -0.108 0.000 0.664 630 V HN 0.549 nan 8.190 nan 0.000 0.453 631 N N -0.149 118.493 118.700 -0.098 0.000 2.512 631 N HA -0.086 4.643 4.740 -0.019 0.000 0.183 631 N C 1.140 176.389 175.510 -0.436 0.000 1.073 631 N CA 0.909 53.797 53.050 -0.270 0.000 0.911 631 N CB -0.207 38.056 38.487 -0.374 0.000 0.964 631 N HN 0.672 nan 8.380 nan 0.000 0.447 632 H N -1.530 117.552 119.070 0.019 0.000 2.784 632 H HA 0.209 4.754 4.556 -0.018 0.000 0.273 632 H C -0.542 174.804 175.328 0.030 0.000 1.112 632 H CA -0.495 55.563 56.048 0.016 0.000 1.162 632 H CB 0.585 30.346 29.762 -0.002 0.000 1.586 632 H HN -0.045 nan 8.280 nan 0.000 0.548 633 D N 2.438 122.914 120.400 0.128 0.000 2.339 633 D HA 0.033 4.662 4.640 -0.019 0.000 0.241 633 D C -1.383 174.968 176.300 0.086 0.000 1.183 633 D CA -2.244 51.837 54.000 0.135 0.000 0.859 633 D CB 1.585 42.532 40.800 0.245 0.000 1.067 633 D HN 0.152 nan 8.370 nan 0.000 0.484 634 P HA -0.120 nan 4.420 nan 0.000 0.220 634 P C 1.464 178.778 177.300 0.024 0.000 1.148 634 P CA 0.400 63.522 63.100 0.037 0.000 0.803 634 P CB 0.466 32.184 31.700 0.031 0.000 0.782 635 V N -0.107 119.822 119.914 0.024 0.000 2.626 635 V HA -0.148 3.961 4.120 -0.019 0.000 0.252 635 V C 2.752 178.840 176.094 -0.009 0.000 1.067 635 V CA 1.333 63.633 62.300 0.000 0.000 1.081 635 V CB -1.045 30.769 31.823 -0.016 0.000 0.686 635 V HN -0.035 nan 8.190 nan 0.000 0.468 636 V N -0.175 119.748 119.914 0.015 0.000 2.379 636 V HA 0.150 4.258 4.120 -0.019 0.000 0.245 636 V C 1.792 177.885 176.094 -0.002 0.000 1.044 636 V CA 1.670 63.977 62.300 0.012 0.000 1.036 636 V CB -0.925 30.946 31.823 0.080 0.000 0.664 636 V HN 0.750 nan 8.190 nan 0.000 0.453 637 G N 1.467 110.271 108.800 0.007 0.000 2.514 637 G HA2 -0.323 3.626 3.960 -0.019 0.000 0.265 637 G HA3 -0.323 3.626 3.960 -0.019 0.000 0.265 637 G C 0.192 175.090 174.900 -0.003 0.000 1.150 637 G CA 0.352 45.453 45.100 0.001 0.000 0.959 637 G HN 0.671 nan 8.290 nan 0.000 0.556 638 D N 0.333 120.731 120.400 -0.003 0.000 2.559 638 D HA 0.257 4.886 4.640 -0.019 0.000 0.234 638 D C 1.632 177.925 176.300 -0.011 0.000 1.226 638 D CA -0.128 53.873 54.000 0.001 0.000 0.830 638 D CB 0.001 40.811 40.800 0.017 0.000 1.028 638 D HN 0.593 nan 8.370 nan 0.000 0.492 639 R N -0.692 119.790 120.500 -0.031 0.000 2.173 639 R HA 0.209 4.538 4.340 -0.019 0.000 0.208 639 R C -0.102 176.158 176.300 -0.066 0.000 1.035 639 R CA 0.195 56.254 56.100 -0.068 0.000 1.004 639 R CB 0.398 30.635 30.300 -0.105 0.000 0.917 639 R HN 0.077 nan 8.270 nan 0.000 0.462 640 L N 0.952 122.154 121.223 -0.035 0.000 2.439 640 L HA 0.384 4.713 4.340 -0.019 0.000 0.270 640 L C -1.384 175.474 176.870 -0.020 0.000 0.972 640 L CA -0.493 54.329 54.840 -0.029 0.000 0.836 640 L CB 1.747 43.803 42.059 -0.006 0.000 1.255 640 L HN -0.144 nan 8.230 nan 0.000 0.404 641 R N 3.853 124.333 120.500 -0.034 0.000 2.621 641 R HA 0.726 5.054 4.340 -0.019 0.000 0.292 641 R C -1.578 174.687 176.300 -0.058 0.000 0.969 641 R CA -0.778 55.296 56.100 -0.044 0.000 0.887 641 R CB 2.439 32.717 30.300 -0.037 0.000 1.180 641 R HN 0.380 nan 8.270 nan 0.000 0.450 642 V N 5.072 124.950 119.914 -0.060 0.000 2.350 642 V HA 0.422 4.530 4.120 -0.019 0.000 0.285 642 V C -0.387 175.679 176.094 -0.046 0.000 1.014 642 V CA -0.688 61.576 62.300 -0.060 0.000 0.831 642 V CB 1.538 33.322 31.823 -0.065 0.000 1.000 642 V HN 0.519 nan 8.190 nan 0.000 0.433 643 I N 5.025 125.565 120.570 -0.050 0.000 2.465 643 I HA 0.439 4.598 4.170 -0.019 0.000 0.291 643 I C -0.596 175.513 176.117 -0.012 0.000 1.014 643 I CA -0.453 60.826 61.300 -0.035 0.000 1.093 643 I CB 1.747 39.704 38.000 -0.071 0.000 1.267 643 I HN 0.536 nan 8.210 nan 0.000 0.431 644 F N 7.305 127.193 119.950 -0.103 0.000 2.411 644 F HA 0.445 4.961 4.527 -0.018 0.000 0.355 644 F C -0.483 175.250 175.800 -0.110 0.000 1.117 644 F CA -0.617 57.321 58.000 -0.104 0.000 1.139 644 F CB 0.639 39.578 39.000 -0.101 0.000 1.120 644 F HN 0.153 nan 8.300 nan 0.000 0.493 645 L N 6.237 127.003 121.223 -0.762 0.000 2.363 645 L HA 0.159 4.488 4.340 -0.019 0.000 0.286 645 L C 0.283 176.853 176.870 -0.498 0.000 1.106 645 L CA 0.098 54.638 54.840 -0.499 0.000 0.859 645 L CB -0.066 41.794 42.059 -0.332 0.000 1.223 645 L HN 0.616 nan 8.230 nan 0.000 0.446 646 E N 3.087 123.157 120.200 -0.217 0.000 2.413 646 E HA -0.065 4.274 4.350 -0.019 0.000 0.263 646 E C 0.588 177.240 176.600 0.086 0.000 1.015 646 E CA -0.019 56.400 56.400 0.032 0.000 0.916 646 E CB 0.252 29.931 29.700 -0.035 0.000 0.947 646 E HN 0.535 nan 8.360 nan 0.000 0.440 647 N N 2.416 121.228 118.700 0.187 0.000 2.740 647 N HA -0.283 4.446 4.740 -0.019 0.000 0.248 647 N C -1.491 174.113 175.510 0.157 0.000 1.062 647 N CA 0.550 53.709 53.050 0.182 0.000 0.704 647 N CB -1.552 37.054 38.487 0.199 0.000 0.968 647 N HN 0.479 nan 8.380 nan 0.000 0.547 648 Y N 1.515 121.825 120.300 0.016 0.000 2.717 648 Y HA 0.177 4.715 4.550 -0.019 0.000 0.330 648 Y C 1.129 177.051 175.900 0.036 0.000 1.217 648 Y CA 0.824 58.922 58.100 -0.003 0.000 1.506 648 Y CB 0.356 38.782 38.460 -0.056 0.000 1.268 648 Y HN 0.383 nan 8.280 nan 0.000 0.561 649 R N 2.367 122.493 120.500 -0.623 0.000 2.752 649 R HA 0.348 4.677 4.340 -0.019 0.000 0.277 649 R C -0.643 175.332 176.300 -0.541 0.000 1.024 649 R CA -0.524 55.326 56.100 -0.415 0.000 0.866 649 R CB 0.201 30.453 30.300 -0.081 0.000 1.278 649 R HN 0.394 nan 8.270 nan 0.000 0.473 650 V N 1.167 120.800 119.914 -0.468 0.000 2.250 650 V HA -0.307 3.802 4.120 -0.019 0.000 0.250 650 V C 2.524 178.494 176.094 -0.206 0.000 1.060 650 V CA 3.009 65.085 62.300 -0.373 0.000 1.030 650 V CB -0.781 30.787 31.823 -0.425 0.000 0.643 650 V HN 0.925 nan 8.190 nan 0.000 0.445 651 S N -0.412 115.189 115.700 -0.166 0.000 2.474 651 S HA -0.111 4.347 4.470 -0.019 0.000 0.235 651 S C 1.805 176.352 174.600 -0.090 0.000 0.997 651 S CA 1.447 59.575 58.200 -0.120 0.000 0.949 651 S CB -0.327 62.826 63.200 -0.078 0.000 0.766 651 S HN 0.412 nan 8.310 nan 0.000 0.517 652 L N 1.513 122.685 121.223 -0.084 0.000 2.209 652 L HA 0.452 4.781 4.340 -0.019 0.000 0.207 652 L C 2.540 179.424 176.870 0.022 0.000 1.094 652 L CA 1.200 56.031 54.840 -0.015 0.000 0.790 652 L CB -1.096 41.011 42.059 0.079 0.000 0.932 652 L HN 0.306 nan 8.230 nan 0.000 0.447 653 A N -0.653 122.154 122.820 -0.021 0.000 1.933 653 A HA -0.216 4.093 4.320 -0.019 0.000 0.218 653 A C 2.141 179.788 177.584 0.105 0.000 1.175 653 A CA 1.759 53.867 52.037 0.117 0.000 0.628 653 A CB -0.555 18.503 19.000 0.097 0.000 0.814 653 A HN 0.578 nan 8.150 nan 0.000 0.444 654 E N -0.500 119.733 120.200 0.054 0.000 2.268 654 E HA -0.138 4.201 4.350 -0.019 0.000 0.195 654 E C 1.861 178.433 176.600 -0.046 0.000 0.995 654 E CA 1.065 57.458 56.400 -0.012 0.000 0.836 654 E CB 0.003 29.606 29.700 -0.163 0.000 0.763 654 E HN 0.607 nan 8.360 nan 0.000 0.491 655 K N -0.096 120.263 120.400 -0.068 0.000 2.190 655 K HA 0.039 4.348 4.320 -0.019 0.000 0.202 655 K C 2.134 178.607 176.600 -0.212 0.000 1.045 655 K CA 0.375 56.618 56.287 -0.072 0.000 0.976 655 K CB -0.050 32.402 32.500 -0.080 0.000 0.849 655 K HN -0.043 nan 8.250 nan 0.000 0.468 656 V N 2.112 121.817 119.914 -0.347 0.000 2.548 656 V HA -0.151 3.958 4.120 -0.019 0.000 0.249 656 V C 1.925 177.776 176.094 -0.405 0.000 1.055 656 V CA 1.277 63.139 62.300 -0.728 0.000 1.065 656 V CB -0.202 31.289 31.823 -0.554 0.000 0.681 656 V HN 0.228 nan 8.190 nan 0.000 0.462 657 I N 0.505 120.896 120.570 -0.298 0.000 2.163 657 I HA -0.119 4.040 4.170 -0.019 0.000 0.240 657 I C -0.132 175.859 176.117 -0.210 0.000 1.081 657 I CA 1.539 62.587 61.300 -0.420 0.000 1.353 657 I CB -1.622 35.993 38.000 -0.642 0.000 1.054 657 I HN 0.337 nan 8.210 nan 0.000 0.407 658 P HA -0.181 nan 4.420 nan 0.000 0.218 658 P C 1.077 178.377 177.300 -0.000 0.000 1.146 658 P CA 1.568 64.646 63.100 -0.037 0.000 0.813 658 P CB -0.043 31.647 31.700 -0.016 0.000 0.778 659 A N -1.372 121.432 122.820 -0.028 0.000 2.238 659 A HA 0.390 4.699 4.320 -0.019 0.000 0.208 659 A C 1.136 178.847 177.584 0.211 0.000 1.177 659 A CA 0.279 52.366 52.037 0.084 0.000 0.804 659 A CB -0.839 18.207 19.000 0.076 0.000 0.823 659 A HN 0.213 nan 8.150 nan 0.000 0.482 660 A N -0.184 122.736 122.820 0.167 0.000 2.309 660 A HA 0.521 4.830 4.320 -0.019 0.000 0.298 660 A C 0.303 178.046 177.584 0.264 0.000 1.165 660 A CA -0.392 51.807 52.037 0.270 0.000 0.821 660 A CB 0.482 19.717 19.000 0.392 0.000 1.102 660 A HN 0.272 nan 8.150 nan 0.000 0.500 661 D N 1.026 121.584 120.400 0.264 0.000 2.414 661 D HA 0.078 4.707 4.640 -0.019 0.000 0.237 661 D C 0.246 176.761 176.300 0.358 0.000 0.975 661 D CA 0.745 54.952 54.000 0.346 0.000 0.917 661 D CB 0.134 41.060 40.800 0.210 0.000 1.061 661 D HN 0.389 nan 8.370 nan 0.000 0.480 662 L N 1.396 122.725 121.223 0.177 0.000 2.296 662 L HA 0.270 4.598 4.340 -0.019 0.000 0.286 662 L C -0.450 176.336 176.870 -0.140 0.000 1.023 662 L CA -0.245 54.623 54.840 0.047 0.000 0.812 662 L CB 1.767 43.814 42.059 -0.020 0.000 1.223 662 L HN -0.107 nan 8.230 nan 0.000 0.421 663 S N 4.579 120.113 115.700 -0.276 0.000 2.442 663 S HA 0.341 4.800 4.470 -0.019 0.000 0.297 663 S C -0.451 173.903 174.600 -0.411 0.000 1.131 663 S CA -0.731 57.072 58.200 -0.661 0.000 1.092 663 S CB 0.834 63.527 63.200 -0.845 0.000 0.998 663 S HN 0.567 nan 8.310 nan 0.000 0.478 664 E N 3.987 123.945 120.200 -0.403 0.000 2.115 664 E HA 0.251 4.590 4.350 -0.019 0.000 0.282 664 E C -0.634 175.855 176.600 -0.185 0.000 0.987 664 E CA -0.538 55.743 56.400 -0.199 0.000 0.797 664 E CB 1.179 30.789 29.700 -0.150 0.000 1.086 664 E HN 0.604 nan 8.360 nan 0.000 0.397 665 Q N 2.824 122.577 119.800 -0.079 0.000 3.064 665 Q HA 0.273 4.602 4.340 -0.019 0.000 0.258 665 Q C 0.606 176.599 176.000 -0.012 0.000 0.972 665 Q CA -0.114 55.652 55.803 -0.063 0.000 0.761 665 Q CB 0.271 28.983 28.738 -0.045 0.000 1.281 665 Q HN 0.640 nan 8.270 nan 0.000 0.455 666 I N -1.830 118.720 120.570 -0.033 0.000 3.762 666 I HA 0.264 4.423 4.170 -0.019 0.000 0.333 666 I C 0.366 176.438 176.117 -0.074 0.000 1.566 666 I CA -0.668 60.634 61.300 0.002 0.000 1.129 666 I CB 0.527 38.535 38.000 0.012 0.000 1.218 666 I HN 0.007 nan 8.210 nan 0.000 0.456 667 S N 0.668 116.316 115.700 -0.086 0.000 2.563 667 S HA 0.140 4.599 4.470 -0.019 0.000 0.284 667 S C 0.595 175.172 174.600 -0.038 0.000 1.331 667 S CA -0.242 57.922 58.200 -0.060 0.000 1.047 667 S CB 0.143 63.352 63.200 0.015 0.000 0.859 667 S HN 0.402 nan 8.310 nan 0.000 0.514 668 T N 2.701 117.262 114.554 0.013 0.000 2.928 668 T HA 0.383 4.721 4.350 -0.019 0.000 0.305 668 T C 0.766 175.470 174.700 0.007 0.000 1.035 668 T CA 0.196 62.308 62.100 0.020 0.000 1.145 668 T CB 0.046 68.988 68.868 0.123 0.000 0.963 668 T HN 1.027 nan 8.240 nan 0.000 0.545 669 A N 2.441 125.235 122.820 -0.043 0.000 2.566 669 A HA 0.455 4.763 4.320 -0.019 0.000 0.245 669 A C 1.653 179.228 177.584 -0.014 0.000 1.056 669 A CA 0.299 52.309 52.037 -0.045 0.000 0.757 669 A CB -0.943 18.017 19.000 -0.067 0.000 0.979 669 A HN 1.726 nan 8.150 nan 0.000 0.508 670 G N 1.319 110.111 108.800 -0.014 0.000 2.195 670 G HA2 -0.255 3.694 3.960 -0.019 0.000 0.224 670 G HA3 -0.255 3.694 3.960 -0.019 0.000 0.224 670 G C 0.980 175.869 174.900 -0.019 0.000 0.990 670 G CA 1.072 46.166 45.100 -0.010 0.000 0.639 670 G HN 1.966 nan 8.290 nan 0.000 0.514 671 T N -2.089 112.452 114.554 -0.021 0.000 3.039 671 T HA 0.396 4.735 4.350 -0.019 0.000 0.250 671 T C 0.787 175.348 174.700 -0.232 0.000 1.052 671 T CA 1.195 63.219 62.100 -0.127 0.000 1.125 671 T CB 0.510 69.350 68.868 -0.048 0.000 0.908 671 T HN 0.330 nan 8.240 nan 0.000 0.473 672 E N 1.266 121.453 120.200 -0.022 0.000 2.089 672 E HA 0.665 5.004 4.350 -0.019 0.000 0.284 672 E C 1.056 177.616 176.600 -0.067 0.000 1.023 672 E CA 0.019 56.445 56.400 0.043 0.000 0.819 672 E CB 0.933 30.715 29.700 0.135 0.000 1.076 672 E HN 0.310 nan 8.360 nan 0.000 0.396 673 A N 3.442 126.156 122.820 -0.176 0.000 1.883 673 A HA -0.161 4.148 4.320 -0.019 0.000 0.217 673 A C 1.966 179.431 177.584 -0.197 0.000 1.186 673 A CA 2.080 53.893 52.037 -0.374 0.000 0.624 673 A CB -0.262 18.256 19.000 -0.803 0.000 0.822 673 A HN 0.602 nan 8.150 nan 0.000 0.444 674 S N -3.563 112.073 115.700 -0.107 0.000 3.792 674 S HA 0.453 4.912 4.470 -0.019 0.000 0.229 674 S C 0.718 175.308 174.600 -0.018 0.000 1.118 674 S CA 1.491 59.672 58.200 -0.031 0.000 0.877 674 S CB -0.092 63.111 63.200 0.005 0.000 1.077 674 S HN 2.219 nan 8.310 nan 0.000 0.546 675 G N 0.496 109.292 108.800 -0.007 0.000 2.767 675 G HA2 -0.092 3.857 3.960 -0.019 0.000 0.686 675 G HA3 -0.092 3.857 3.960 -0.019 0.000 0.686 675 G C 0.252 175.136 174.900 -0.027 0.000 1.213 675 G CA 0.393 45.486 45.100 -0.012 0.000 0.803 675 G HN 1.200 nan 8.290 nan 0.000 0.603 676 T N -1.041 113.486 114.554 -0.045 0.000 2.980 676 T HA 0.382 4.721 4.350 -0.019 0.000 0.252 676 T C 2.460 177.068 174.700 -0.153 0.000 0.962 676 T CA 1.236 63.281 62.100 -0.091 0.000 0.932 676 T CB 0.276 69.085 68.868 -0.098 0.000 1.188 676 T HN 1.834 nan 8.240 nan 0.000 0.500 677 G N 3.323 112.060 108.800 -0.105 0.000 2.476 677 G HA2 -0.348 3.601 3.960 -0.019 0.000 0.218 677 G HA3 -0.348 3.601 3.960 -0.019 0.000 0.218 677 G C 1.460 176.429 174.900 0.115 0.000 1.164 677 G CA 1.366 46.440 45.100 -0.043 0.000 0.768 677 G HN 0.836 nan 8.290 nan 0.000 0.560 678 N N 0.017 118.755 118.700 0.063 0.000 2.069 678 N HA -0.165 4.564 4.740 -0.019 0.000 0.196 678 N C 1.451 176.972 175.510 0.018 0.000 1.024 678 N CA 0.988 54.065 53.050 0.045 0.000 0.869 678 N CB -0.414 38.050 38.487 -0.040 0.000 1.035 678 N HN 0.381 nan 8.380 nan 0.000 0.434 682 M N 0.124 119.802 119.600 0.130 0.000 2.200 682 M HA -0.054 4.414 4.480 -0.019 0.000 0.265 682 M C 1.785 178.131 176.300 0.078 0.000 1.066 682 M CA 1.586 56.934 55.300 0.080 0.000 1.127 682 M CB 0.065 32.706 32.600 0.070 0.000 1.379 682 M HN 0.287 nan 8.290 nan 0.000 0.420 683 L N 0.497 121.763 121.223 0.072 0.000 2.478 683 L HA -0.007 4.322 4.340 -0.019 0.000 0.223 683 L C 1.099 178.009 176.870 0.068 0.000 1.140 683 L CA 1.354 56.244 54.840 0.084 0.000 0.842 683 L CB -0.391 41.727 42.059 0.098 0.000 0.953 683 L HN 0.331 nan 8.230 nan 0.000 0.452 684 N N -0.830 117.902 118.700 0.052 0.000 2.170 684 N HA 0.200 4.929 4.740 -0.019 0.000 0.222 684 N C 0.826 176.369 175.510 0.054 0.000 1.218 684 N CA 0.768 53.843 53.050 0.041 0.000 0.889 684 N CB 1.008 39.497 38.487 0.003 0.000 1.083 684 N HN 0.274 nan 8.380 nan 0.000 0.520 685 G N 0.833 109.669 108.800 0.061 0.000 2.132 685 G HA2 -0.199 3.750 3.960 -0.019 0.000 0.228 685 G HA3 -0.199 3.750 3.960 -0.019 0.000 0.228 685 G C 0.035 175.002 174.900 0.111 0.000 1.000 685 G CA 0.133 45.271 45.100 0.064 0.000 0.693 685 G HN 0.501 nan 8.290 nan 0.000 0.515 686 A N -0.209 122.687 122.820 0.127 0.000 2.303 686 A HA 0.859 5.167 4.320 -0.019 0.000 0.317 686 A C 0.460 178.043 177.584 -0.001 0.000 1.149 686 A CA -0.516 51.615 52.037 0.156 0.000 0.822 686 A CB 0.843 20.006 19.000 0.272 0.000 1.131 686 A HN 0.738 nan 8.150 nan 0.000 0.493 687 L N 0.984 122.165 121.223 -0.071 0.000 2.399 687 L HA 0.413 4.741 4.340 -0.019 0.000 0.266 687 L C 0.214 176.973 176.870 -0.186 0.000 1.114 687 L CA -0.335 54.362 54.840 -0.237 0.000 0.804 687 L CB 1.496 43.335 42.059 -0.366 0.000 1.146 687 L HN 0.682 nan 8.230 nan 0.000 0.451 688 T N 3.044 117.366 114.554 -0.388 0.000 2.758 688 T HA 0.428 4.767 4.350 -0.019 0.000 0.285 688 T C -0.282 174.365 174.700 -0.089 0.000 0.981 688 T CA -0.226 61.669 62.100 -0.342 0.000 0.965 688 T CB 1.240 69.777 68.868 -0.553 0.000 0.927 688 T HN 0.339 nan 8.240 nan 0.000 0.448 689 I N 3.310 123.896 120.570 0.027 0.000 2.321 689 I HA 0.672 4.831 4.170 -0.019 0.000 0.291 689 I C 0.243 176.530 176.117 0.283 0.000 0.998 689 I CA 0.173 61.584 61.300 0.186 0.000 1.227 689 I CB 0.174 38.193 38.000 0.031 0.000 1.368 689 I HN 0.769 nan 8.210 nan 0.000 0.466 690 G N 3.975 113.032 108.800 0.428 0.000 2.660 690 G HA2 0.466 4.415 3.960 -0.019 0.000 0.290 690 G HA3 0.466 4.415 3.960 -0.019 0.000 0.290 690 G C -0.876 174.003 174.900 -0.036 0.000 1.432 690 G CA -0.423 44.849 45.100 0.286 0.000 0.807 690 G HN 0.565 nan 8.290 nan 0.000 0.485 691 T N -1.464 112.907 114.554 -0.304 0.000 2.874 691 T HA 0.492 4.831 4.350 -0.019 0.000 0.281 691 T C 0.750 175.331 174.700 -0.199 0.000 0.994 691 T CA -0.677 61.145 62.100 -0.463 0.000 1.015 691 T CB 1.136 69.734 68.868 -0.450 0.000 1.028 691 T HN 0.250 nan 8.240 nan 0.000 0.523 692 M N 2.945 122.437 119.600 -0.180 0.000 3.442 692 M HA 0.295 4.764 4.480 -0.019 0.000 0.232 692 M C -0.447 175.799 176.300 -0.091 0.000 1.508 692 M CA 0.004 55.236 55.300 -0.113 0.000 1.647 692 M CB -1.915 30.627 32.600 -0.096 0.000 1.126 692 M HN 0.723 nan 8.290 nan 0.000 0.557 693 D N 0.038 120.391 120.400 -0.079 0.000 2.738 693 D HA 0.652 5.281 4.640 -0.019 0.000 0.237 693 D C 0.703 176.980 176.300 -0.038 0.000 1.123 693 D CA 0.738 54.706 54.000 -0.053 0.000 0.856 693 D CB 1.674 42.444 40.800 -0.050 0.000 1.552 693 D HN 0.614 nan 8.370 nan 0.000 0.480 694 G N 2.188 110.976 108.800 -0.020 0.000 2.614 694 G HA2 -0.267 3.682 3.960 -0.019 0.000 0.303 694 G HA3 -0.267 3.682 3.960 -0.019 0.000 0.303 694 G C 1.052 175.945 174.900 -0.012 0.000 1.270 694 G CA 1.018 46.112 45.100 -0.010 0.000 0.988 694 G HN 1.043 nan 8.290 nan 0.000 0.551 695 A N -0.224 122.584 122.820 -0.020 0.000 2.167 695 A HA 0.104 4.413 4.320 -0.019 0.000 0.214 695 A C 2.104 179.624 177.584 -0.107 0.000 1.151 695 A CA 1.832 53.852 52.037 -0.028 0.000 0.735 695 A CB -0.469 18.506 19.000 -0.042 0.000 0.802 695 A HN 0.632 nan 8.150 nan 0.000 0.467 696 N N 0.571 119.213 118.700 -0.096 0.000 2.094 696 N HA -0.164 4.565 4.740 -0.019 0.000 0.191 696 N C 1.575 176.964 175.510 -0.202 0.000 1.023 696 N CA 1.663 54.645 53.050 -0.113 0.000 0.857 696 N CB -0.656 37.807 38.487 -0.039 0.000 1.013 696 N HN 0.282 nan 8.380 nan 0.000 0.426 697 V N 1.215 121.053 119.914 -0.128 0.000 2.332 697 V HA -0.207 3.902 4.120 -0.019 0.000 0.248 697 V C 1.964 177.990 176.094 -0.112 0.000 1.055 697 V CA 1.675 63.901 62.300 -0.125 0.000 1.038 697 V CB -0.448 31.334 31.823 -0.068 0.000 0.651 697 V HN 0.371 nan 8.190 nan 0.000 0.450 698 E N -0.725 119.461 120.200 -0.023 0.000 2.158 698 E HA -0.096 4.243 4.350 -0.019 0.000 0.191 698 E C 2.228 178.942 176.600 0.189 0.000 0.982 698 E CA 0.884 57.346 56.400 0.103 0.000 0.823 698 E CB -0.158 29.687 29.700 0.241 0.000 0.766 698 E HN 0.529 nan 8.360 nan 0.000 0.468 699 M N 0.646 120.257 119.600 0.020 0.000 2.086 699 M HA -0.169 4.300 4.480 -0.019 0.000 0.261 699 M C 2.508 178.570 176.300 -0.397 0.000 1.067 699 M CA 1.671 56.894 55.300 -0.127 0.000 1.116 699 M CB -0.235 32.163 32.600 -0.337 0.000 1.348 699 M HN 0.139 nan 8.290 nan 0.000 0.407 700 A N -0.224 122.083 122.820 -0.855 0.000 1.933 700 A HA -0.217 4.092 4.320 -0.019 0.000 0.218 700 A C 1.970 179.347 177.584 -0.345 0.000 1.175 700 A CA 1.948 53.420 52.037 -0.943 0.000 0.628 700 A CB -0.808 17.675 19.000 -0.861 0.000 0.814 700 A HN 0.603 nan 8.150 nan 0.000 0.444 701 E N -0.324 119.751 120.200 -0.208 0.000 2.077 701 E HA -0.217 4.122 4.350 -0.019 0.000 0.193 701 E C 1.759 178.327 176.600 -0.053 0.000 0.989 701 E CA 1.282 57.622 56.400 -0.099 0.000 0.800 701 E CB -0.087 29.576 29.700 -0.062 0.000 0.746 701 E HN 0.538 nan 8.360 nan 0.000 0.452 702 E N 0.080 120.275 120.200 -0.008 0.000 2.072 702 E HA -0.131 4.207 4.350 -0.019 0.000 0.191 702 E C 1.797 178.418 176.600 0.036 0.000 0.985 702 E CA 1.182 57.600 56.400 0.031 0.000 0.801 702 E CB -0.138 29.631 29.700 0.114 0.000 0.750 702 E HN 0.377 nan 8.360 nan 0.000 0.452 703 A N 0.317 123.162 122.820 0.042 0.000 2.195 703 A HA 0.373 4.682 4.320 -0.019 0.000 0.210 703 A C 1.019 178.625 177.584 0.037 0.000 1.165 703 A CA 0.934 53.017 52.037 0.077 0.000 0.806 703 A CB 0.009 19.130 19.000 0.201 0.000 0.847 703 A HN 0.230 nan 8.150 nan 0.000 0.482 704 G N -0.240 108.552 108.800 -0.014 0.000 2.879 704 G HA2 -0.141 3.808 3.960 -0.019 0.000 0.686 704 G HA3 -0.141 3.808 3.960 -0.019 0.000 0.686 704 G C 0.035 174.922 174.900 -0.021 0.000 1.115 704 G CA -0.017 45.069 45.100 -0.024 0.000 0.770 704 G HN 0.330 nan 8.290 nan 0.000 0.601 705 E N 1.216 121.392 120.200 -0.041 0.000 2.265 705 E HA -0.147 4.192 4.350 -0.019 0.000 0.196 705 E C 1.999 178.594 176.600 -0.009 0.000 0.996 705 E CA 1.661 58.045 56.400 -0.028 0.000 0.832 705 E CB 0.060 29.740 29.700 -0.034 0.000 0.756 705 E HN 0.791 nan 8.360 nan 0.000 0.491 706 E N 0.911 121.093 120.200 -0.029 0.000 2.338 706 E HA -0.093 4.246 4.350 -0.019 0.000 0.197 706 E C 1.003 177.525 176.600 -0.130 0.000 1.007 706 E CA 0.638 57.000 56.400 -0.062 0.000 0.849 706 E CB -0.036 29.638 29.700 -0.043 0.000 0.774 706 E HN 0.154 nan 8.360 nan 0.000 0.506 707 N N -0.286 118.367 118.700 -0.079 0.000 2.251 707 N HA 0.148 4.877 4.740 -0.019 0.000 0.217 707 N C -1.017 174.384 175.510 -0.182 0.000 1.124 707 N CA 0.106 53.072 53.050 -0.140 0.000 0.843 707 N CB 0.401 38.868 38.487 -0.033 0.000 1.024 707 N HN 0.047 nan 8.380 nan 0.000 0.501 708 F N -0.146 119.552 119.950 -0.419 0.000 2.574 708 F HA 0.350 4.865 4.527 -0.020 0.000 0.313 708 F C -0.775 174.778 175.800 -0.413 0.000 1.130 708 F CA -1.005 56.772 58.000 -0.371 0.000 0.936 708 F CB 1.168 40.071 39.000 -0.161 0.000 1.219 708 F HN -0.191 nan 8.300 nan 0.000 0.445 709 F N 5.666 125.641 119.950 0.040 0.000 2.567 709 F HA 0.371 4.887 4.527 -0.018 0.000 0.352 709 F C -0.021 175.918 175.800 0.233 0.000 1.229 709 F CA -0.403 57.652 58.000 0.091 0.000 1.228 709 F CB -0.460 38.539 39.000 -0.001 0.000 1.568 709 F HN 0.088 nan 8.300 nan 0.000 0.634 710 I N 4.224 125.000 120.570 0.343 0.000 2.342 710 I HA 0.350 4.508 4.170 -0.019 0.000 0.291 710 I C -0.156 176.142 176.117 0.301 0.000 1.010 710 I CA -0.597 60.869 61.300 0.277 0.000 1.308 710 I CB 0.473 38.557 38.000 0.139 0.000 1.400 710 I HN 0.325 nan 8.210 nan 0.000 0.488 711 F N 3.949 123.963 119.950 0.107 0.000 2.650 711 F HA 0.978 5.493 4.527 -0.019 0.000 0.320 711 F C 0.195 176.033 175.800 0.063 0.000 1.091 711 F CA -0.785 57.268 58.000 0.088 0.000 0.962 711 F CB 1.044 40.110 39.000 0.110 0.000 1.363 711 F HN 0.785 nan 8.300 nan 0.000 0.482 712 G N 1.056 109.883 108.800 0.044 0.000 2.728 712 G HA2 -0.097 3.851 3.960 -0.019 0.000 0.294 712 G HA3 -0.097 3.851 3.960 -0.019 0.000 0.294 712 G C -0.841 174.012 174.900 -0.078 0.000 1.342 712 G CA -0.619 44.444 45.100 -0.062 0.000 0.866 712 G HN 0.954 nan 8.290 nan 0.000 0.534 713 M N 0.783 120.349 119.600 -0.057 0.000 2.252 713 M HA 0.230 4.698 4.480 -0.019 0.000 0.333 713 M C 1.220 177.478 176.300 -0.071 0.000 1.111 713 M CA 0.053 55.332 55.300 -0.035 0.000 1.140 713 M CB 0.271 32.861 32.600 -0.017 0.000 1.538 713 M HN 0.534 nan 8.290 nan 0.000 0.448 714 R N 1.552 122.027 120.500 -0.042 0.000 2.541 714 R HA 0.266 4.595 4.340 -0.019 0.000 0.263 714 R C 1.256 177.534 176.300 -0.036 0.000 1.112 714 R CA -0.592 55.480 56.100 -0.047 0.000 1.170 714 R CB -0.147 30.134 30.300 -0.032 0.000 1.167 714 R HN 0.585 nan 8.270 nan 0.000 0.582 715 V N 1.339 121.232 119.914 -0.036 0.000 2.324 715 V HA -0.286 3.823 4.120 -0.019 0.000 0.250 715 V C 1.944 178.027 176.094 -0.019 0.000 1.060 715 V CA 2.107 64.391 62.300 -0.028 0.000 1.042 715 V CB -0.507 31.298 31.823 -0.030 0.000 0.650 715 V HN 0.616 nan 8.190 nan 0.000 0.450 716 E N 0.251 120.442 120.200 -0.015 0.000 2.085 716 E HA -0.192 4.147 4.350 -0.019 0.000 0.194 716 E C 1.999 178.602 176.600 0.004 0.000 0.994 716 E CA 1.490 57.886 56.400 -0.006 0.000 0.801 716 E CB -0.381 29.316 29.700 -0.004 0.000 0.743 716 E HN 0.640 nan 8.360 nan 0.000 0.453 717 D N -0.244 120.160 120.400 0.007 0.000 2.144 717 D HA -0.102 4.527 4.640 -0.019 0.000 0.200 717 D C 1.977 178.292 176.300 0.025 0.000 0.978 717 D CA 0.809 54.823 54.000 0.023 0.000 0.833 717 D CB -0.039 40.777 40.800 0.026 0.000 0.961 717 D HN 0.071 nan 8.370 nan 0.000 0.470 718 V N 2.011 121.928 119.914 0.004 0.000 2.261 718 V HA -0.228 3.881 4.120 -0.019 0.000 0.246 718 V C 1.983 178.079 176.094 0.003 0.000 1.047 718 V CA 1.803 64.099 62.300 -0.006 0.000 1.015 718 V CB -0.500 31.309 31.823 -0.023 0.000 0.642 718 V HN 0.016 nan 8.190 nan 0.000 0.446 719 D N -0.095 120.306 120.400 0.002 0.000 2.133 719 D HA -0.184 4.445 4.640 -0.019 0.000 0.195 719 D C 2.368 178.681 176.300 0.021 0.000 0.997 719 D CA 1.364 55.368 54.000 0.006 0.000 0.840 719 D CB -0.329 40.471 40.800 -0.001 0.000 0.947 719 D HN 0.340 nan 8.370 nan 0.000 0.452 720 R N -0.013 120.504 120.500 0.027 0.000 2.091 720 R HA -0.022 4.307 4.340 -0.019 0.000 0.238 720 R C 2.456 178.791 176.300 0.059 0.000 1.136 720 R CA 0.541 56.664 56.100 0.040 0.000 0.959 720 R CB -0.358 29.966 30.300 0.041 0.000 0.856 720 R HN 0.207 nan 8.270 nan 0.000 0.437 721 L N 0.465 121.732 121.223 0.073 0.000 2.141 721 L HA -0.180 4.148 4.340 -0.019 0.000 0.209 721 L C 1.309 178.245 176.870 0.111 0.000 1.094 721 L CA 1.240 56.149 54.840 0.116 0.000 0.763 721 L CB -0.184 41.959 42.059 0.140 0.000 0.908 721 L HN 0.242 nan 8.230 nan 0.000 0.437 722 D N -0.595 119.845 120.400 0.066 0.000 2.123 722 D HA -0.168 4.461 4.640 -0.019 0.000 0.200 722 D C 2.170 178.501 176.300 0.052 0.000 0.976 722 D CA 0.993 55.026 54.000 0.055 0.000 0.831 722 D CB 0.102 40.914 40.800 0.020 0.000 0.974 722 D HN 0.373 nan 8.370 nan 0.000 0.469 723 Q N 0.324 120.150 119.800 0.043 0.000 2.020 723 Q HA -0.146 4.183 4.340 -0.019 0.000 0.202 723 Q C 2.204 178.230 176.000 0.044 0.000 0.982 723 Q CA 1.468 57.293 55.803 0.036 0.000 0.838 723 Q CB -0.123 28.633 28.738 0.029 0.000 0.899 723 Q HN 0.152 nan 8.270 nan 0.000 0.423 724 R N 0.370 120.902 120.500 0.053 0.000 2.139 724 R HA -0.092 4.236 4.340 -0.019 0.000 0.243 724 R C 0.027 176.366 176.300 0.065 0.000 1.145 724 R CA 1.329 57.463 56.100 0.057 0.000 0.976 724 R CB -0.304 30.035 30.300 0.066 0.000 0.866 724 R HN 0.246 nan 8.270 nan 0.000 0.449 725 G N -0.611 108.241 108.800 0.087 0.000 3.055 725 G HA2 -0.263 3.686 3.960 -0.019 0.000 0.686 725 G HA3 -0.263 3.686 3.960 -0.019 0.000 0.686 725 G C -1.386 173.607 174.900 0.155 0.000 1.087 725 G CA -0.162 44.999 45.100 0.102 0.000 0.779 725 G HN 0.363 nan 8.290 nan 0.000 0.599 726 Y N 3.848 124.180 120.300 0.053 0.000 2.477 726 Y HA 0.551 5.090 4.550 -0.019 0.000 0.349 726 Y C 0.453 176.405 175.900 0.087 0.000 0.977 726 Y CA -1.004 57.145 58.100 0.083 0.000 1.214 726 Y CB 0.769 39.265 38.460 0.059 0.000 1.124 726 Y HN 0.588 nan 8.280 nan 0.000 0.521 727 N N 5.114 123.625 118.700 -0.315 0.000 2.546 727 N HA 0.289 5.018 4.740 -0.019 0.000 0.238 727 N C 0.355 175.615 175.510 -0.416 0.000 0.984 727 N CA 0.309 53.167 53.050 -0.321 0.000 0.935 727 N CB 1.326 39.741 38.487 -0.119 0.000 1.122 727 N HN 0.896 nan 8.380 nan 0.000 0.510 728 A N 3.256 125.742 122.820 -0.558 0.000 1.969 728 A HA -0.201 4.107 4.320 -0.019 0.000 0.218 728 A C 2.000 179.687 177.584 0.172 0.000 1.169 728 A CA 1.159 53.060 52.037 -0.226 0.000 0.635 728 A CB -0.407 18.344 19.000 -0.414 0.000 0.810 728 A HN 0.777 nan 8.150 nan 0.000 0.445 729 Q N 0.339 120.148 119.800 0.014 0.000 2.133 729 Q HA -0.265 4.064 4.340 -0.019 0.000 0.208 729 Q C 1.870 177.949 176.000 0.132 0.000 0.991 729 Q CA 2.431 58.273 55.803 0.064 0.000 0.867 729 Q CB -0.408 28.324 28.738 -0.010 0.000 0.911 729 Q HN 0.752 nan 8.270 nan 0.000 0.417 730 E N -1.436 118.780 120.200 0.026 0.000 2.097 730 E HA -0.236 4.103 4.350 -0.019 0.000 0.196 730 E C 1.649 178.185 176.600 -0.107 0.000 1.000 730 E CA 1.558 57.901 56.400 -0.095 0.000 0.804 730 E CB -0.177 29.364 29.700 -0.265 0.000 0.740 730 E HN 0.598 nan 8.360 nan 0.000 0.454 731 Y N -1.378 119.006 120.300 0.140 0.000 2.263 731 Y HA -0.185 4.354 4.550 -0.019 0.000 0.292 731 Y C 2.124 178.046 175.900 0.035 0.000 1.130 731 Y CA 1.260 59.430 58.100 0.116 0.000 1.179 731 Y CB -0.514 38.066 38.460 0.200 0.000 0.998 731 Y HN 0.206 nan 8.280 nan 0.000 0.532 732 Y N 1.292 121.661 120.300 0.115 0.000 2.207 732 Y HA -0.263 4.276 4.550 -0.019 0.000 0.287 732 Y C 1.784 177.674 175.900 -0.017 0.000 1.156 732 Y CA 1.732 59.828 58.100 -0.008 0.000 1.182 732 Y CB -0.299 38.210 38.460 0.082 0.000 0.979 732 Y HN 0.082 nan 8.280 nan 0.000 0.521 733 D N -0.367 120.133 120.400 0.167 0.000 2.183 733 D HA -0.092 4.537 4.640 -0.019 0.000 0.203 733 D C 1.833 178.119 176.300 -0.025 0.000 0.969 733 D CA 1.166 55.206 54.000 0.067 0.000 0.842 733 D CB -0.045 40.804 40.800 0.081 0.000 0.957 733 D HN 0.481 nan 8.370 nan 0.000 0.484 734 R N -0.177 120.310 120.500 -0.022 0.000 2.308 734 R HA 0.270 4.599 4.340 -0.019 0.000 0.202 734 R C 0.414 176.702 176.300 -0.020 0.000 0.898 734 R CA 0.072 56.158 56.100 -0.023 0.000 1.046 734 R CB 1.104 31.389 30.300 -0.025 0.000 1.026 734 R HN 0.143 nan 8.270 nan 0.000 0.512 735 I N 2.518 123.060 120.570 -0.046 0.000 2.405 735 I HA 0.226 4.385 4.170 -0.019 0.000 0.280 735 I C -1.932 174.103 176.117 -0.137 0.000 1.027 735 I CA -2.324 58.949 61.300 -0.046 0.000 1.161 735 I CB 2.153 40.156 38.000 0.005 0.000 1.300 735 I HN -0.278 nan 8.210 nan 0.000 0.463 736 P HA -0.120 nan 4.420 nan 0.000 0.218 736 P C 1.128 178.340 177.300 -0.148 0.000 1.149 736 P CA 1.212 64.227 63.100 -0.142 0.000 0.817 736 P CB 0.293 31.939 31.700 -0.088 0.000 0.785 737 E N -0.868 119.280 120.200 -0.087 0.000 2.153 737 E HA -0.159 4.180 4.350 -0.019 0.000 0.194 737 E C 1.807 178.310 176.600 -0.161 0.000 0.988 737 E CA 0.716 57.081 56.400 -0.059 0.000 0.811 737 E CB -0.550 29.189 29.700 0.066 0.000 0.746 737 E HN 0.144 nan 8.360 nan 0.000 0.466 738 L N 1.093 122.129 121.223 -0.313 0.000 2.044 738 L HA -0.094 4.235 4.340 -0.019 0.000 0.205 738 L C 2.396 179.006 176.870 -0.433 0.000 1.075 738 L CA 1.532 56.037 54.840 -0.559 0.000 0.747 738 L CB -0.316 41.277 42.059 -0.776 0.000 0.903 738 L HN -0.095 nan 8.230 nan 0.000 0.435 739 R N -0.902 119.307 120.500 -0.484 0.000 2.103 739 R HA -0.252 4.076 4.340 -0.019 0.000 0.242 739 R C 2.392 178.514 176.300 -0.295 0.000 1.142 739 R CA 2.085 57.802 56.100 -0.638 0.000 0.960 739 R CB -0.341 29.530 30.300 -0.715 0.000 0.858 739 R HN 0.547 nan 8.270 nan 0.000 0.439 740 Q N 0.270 119.940 119.800 -0.216 0.000 2.096 740 Q HA -0.181 4.148 4.340 -0.019 0.000 0.204 740 Q C 2.094 178.041 176.000 -0.088 0.000 0.982 740 Q CA 1.853 57.576 55.803 -0.134 0.000 0.850 740 Q CB -0.056 28.608 28.738 -0.123 0.000 0.901 740 Q HN 0.473 nan 8.270 nan 0.000 0.422 741 I N 0.503 121.019 120.570 -0.088 0.000 2.202 741 I HA -0.277 3.882 4.170 -0.019 0.000 0.242 741 I C 2.067 178.208 176.117 0.039 0.000 1.091 741 I CA 0.555 61.844 61.300 -0.018 0.000 1.368 741 I CB -0.251 37.709 38.000 -0.067 0.000 1.058 741 I HN 0.264 nan 8.210 nan 0.000 0.410 742 I N 0.874 121.464 120.570 0.035 0.000 2.286 742 I HA -0.238 3.921 4.170 -0.019 0.000 0.248 742 I C 2.436 178.658 176.117 0.175 0.000 1.115 742 I CA 1.616 63.011 61.300 0.158 0.000 1.392 742 I CB -1.263 36.936 38.000 0.331 0.000 1.065 742 I HN 0.347 nan 8.210 nan 0.000 0.418 743 E N 0.270 120.547 120.200 0.129 0.000 2.072 743 E HA -0.228 4.110 4.350 -0.019 0.000 0.191 743 E C 2.172 178.835 176.600 0.104 0.000 0.985 743 E CA 0.903 57.370 56.400 0.112 0.000 0.801 743 E CB -0.111 29.622 29.700 0.055 0.000 0.750 743 E HN 0.561 nan 8.360 nan 0.000 0.452 744 Q N 0.544 120.390 119.800 0.076 0.000 2.061 744 Q HA -0.156 4.173 4.340 -0.019 0.000 0.204 744 Q C 2.378 178.564 176.000 0.310 0.000 0.984 744 Q CA 1.103 56.970 55.803 0.106 0.000 0.846 744 Q CB -0.089 28.655 28.738 0.010 0.000 0.902 744 Q HN 0.300 nan 8.270 nan 0.000 0.421 745 L N -0.014 121.401 121.223 0.319 0.000 2.012 745 L HA -0.228 4.101 4.340 -0.019 0.000 0.210 745 L C 2.419 179.470 176.870 0.301 0.000 1.073 745 L CA 1.178 56.207 54.840 0.316 0.000 0.748 745 L CB -0.432 41.727 42.059 0.166 0.000 0.891 745 L HN 0.185 nan 8.230 nan 0.000 0.431 746 S N -0.388 115.447 115.700 0.225 0.000 2.371 746 S HA -0.124 4.335 4.470 -0.019 0.000 0.224 746 S C 2.071 176.775 174.600 0.174 0.000 1.029 746 S CA 1.365 59.679 58.200 0.190 0.000 0.978 746 S CB -0.163 63.129 63.200 0.153 0.000 0.833 746 S HN 0.593 nan 8.310 nan 0.000 0.466 747 S N 0.604 116.406 115.700 0.169 0.000 2.522 747 S HA 0.300 4.759 4.470 -0.019 0.000 0.227 747 S C 1.448 176.142 174.600 0.155 0.000 0.986 747 S CA 0.682 58.967 58.200 0.142 0.000 0.929 747 S CB -0.162 63.110 63.200 0.119 0.000 0.769 747 S HN 0.831 nan 8.310 nan 0.000 0.529 748 G N 0.498 109.423 108.800 0.209 0.000 2.131 748 G HA2 -0.260 3.689 3.960 -0.019 0.000 0.201 748 G HA3 -0.260 3.689 3.960 -0.019 0.000 0.201 748 G C 0.141 175.139 174.900 0.164 0.000 1.000 748 G CA 0.062 45.278 45.100 0.192 0.000 0.680 748 G HN 0.495 nan 8.290 nan 0.000 0.514 749 F N 0.133 120.081 119.950 -0.003 0.000 2.171 749 F HA 0.207 4.723 4.527 -0.019 0.000 0.300 749 F C 1.915 177.496 175.800 -0.364 0.000 1.090 749 F CA 1.942 59.800 58.000 -0.237 0.000 1.293 749 F CB -0.002 38.752 39.000 -0.411 0.000 1.013 749 F HN 0.183 nan 8.300 nan 0.000 0.486 750 F N -0.568 119.465 119.950 0.137 0.000 2.695 750 F HA 0.191 4.706 4.527 -0.019 0.000 0.303 750 F C 0.762 176.644 175.800 0.137 0.000 1.091 750 F CA 0.159 58.191 58.000 0.052 0.000 1.300 750 F CB -0.017 39.017 39.000 0.057 0.000 1.071 750 F HN -0.079 nan 8.300 nan 0.000 0.578 751 S N -1.353 114.510 115.700 0.272 0.000 2.317 751 S HA 0.331 4.790 4.470 -0.019 0.000 0.144 751 S C -2.468 172.167 174.600 0.058 0.000 1.660 751 S CA -1.065 57.231 58.200 0.161 0.000 1.273 751 S CB 0.848 64.129 63.200 0.136 0.000 1.330 751 S HN -0.161 nan 8.310 nan 0.000 0.395 752 P HA -0.032 nan 4.420 nan 0.000 0.219 752 P C 1.226 178.522 177.300 -0.007 0.000 1.150 752 P CA 0.951 64.036 63.100 -0.024 0.000 0.814 752 P CB 0.142 31.797 31.700 -0.075 0.000 0.787 753 K N -0.562 119.835 120.400 -0.006 0.000 2.167 753 K HA 0.008 4.317 4.320 -0.019 0.000 0.203 753 K C 0.719 177.322 176.600 0.003 0.000 1.052 753 K CA 0.894 57.180 56.287 -0.002 0.000 0.956 753 K CB -0.049 32.450 32.500 -0.002 0.000 0.735 753 K HN 0.322 nan 8.250 nan 0.000 0.451 754 Q N 0.930 120.731 119.800 0.003 0.000 2.721 754 Q HA 0.141 4.470 4.340 -0.019 0.000 0.257 754 Q C -2.060 173.943 176.000 0.005 0.000 1.070 754 Q CA -1.711 54.089 55.803 -0.005 0.000 0.910 754 Q CB 1.354 30.077 28.738 -0.025 0.000 1.163 754 Q HN -0.045 nan 8.270 nan 0.000 0.501 755 P HA -0.241 nan 4.420 nan 0.000 0.217 755 P C 0.463 177.811 177.300 0.079 0.000 1.151 755 P CA 1.600 64.738 63.100 0.062 0.000 0.849 755 P CB 0.256 31.989 31.700 0.055 0.000 0.787 756 D N -1.134 119.295 120.400 0.049 0.000 2.388 756 D HA -0.009 4.620 4.640 -0.019 0.000 0.221 756 D C 1.671 177.982 176.300 0.019 0.000 1.133 756 D CA -0.392 53.644 54.000 0.062 0.000 0.831 756 D CB -0.728 40.106 40.800 0.056 0.000 0.962 756 D HN -0.013 nan 8.370 nan 0.000 0.502 757 L N -0.086 121.088 121.223 -0.081 0.000 2.089 757 L HA -0.117 4.211 4.340 -0.019 0.000 0.213 757 L C 1.062 177.726 176.870 -0.344 0.000 1.079 757 L CA 1.713 56.380 54.840 -0.289 0.000 0.758 757 L CB -0.606 41.103 42.059 -0.583 0.000 0.891 757 L HN 0.023 nan 8.230 nan 0.000 0.433 758 F N -1.105 118.904 119.950 0.099 0.000 2.647 758 F HA 0.136 4.652 4.527 -0.018 0.000 0.300 758 F C 1.780 177.632 175.800 0.087 0.000 1.106 758 F CA -0.133 57.914 58.000 0.079 0.000 1.313 758 F CB -0.191 38.845 39.000 0.060 0.000 1.007 758 F HN 0.076 nan 8.300 nan 0.000 0.536 759 K N -0.458 120.063 120.400 0.201 0.000 2.103 759 K HA -0.198 4.111 4.320 -0.019 0.000 0.207 759 K C 1.018 177.722 176.600 0.172 0.000 1.048 759 K CA 2.059 58.447 56.287 0.168 0.000 0.930 759 K CB -0.322 32.254 32.500 0.126 0.000 0.716 759 K HN 0.028 nan 8.250 nan 0.000 0.444 760 D N 1.108 121.621 120.400 0.188 0.000 2.144 760 D HA -0.091 4.537 4.640 -0.019 0.000 0.199 760 D C 1.974 178.373 176.300 0.166 0.000 0.984 760 D CA 1.149 55.272 54.000 0.204 0.000 0.834 760 D CB -0.078 40.877 40.800 0.258 0.000 0.955 760 D HN 0.299 nan 8.370 nan 0.000 0.465 761 I N 0.243 120.909 120.570 0.159 0.000 2.233 761 I HA -0.176 3.983 4.170 -0.019 0.000 0.243 761 I C 2.353 178.501 176.117 0.052 0.000 1.093 761 I CA 0.553 61.908 61.300 0.092 0.000 1.380 761 I CB -0.386 37.671 38.000 0.096 0.000 1.067 761 I HN -0.098 nan 8.210 nan 0.000 0.413 762 V N 1.525 121.497 119.914 0.096 0.000 2.332 762 V HA -0.308 3.801 4.120 -0.019 0.000 0.248 762 V C 2.261 178.364 176.094 0.015 0.000 1.055 762 V CA 2.505 64.850 62.300 0.076 0.000 1.038 762 V CB -1.085 30.810 31.823 0.120 0.000 0.651 762 V HN 0.490 nan 8.190 nan 0.000 0.450 763 N N -0.245 118.498 118.700 0.071 0.000 2.120 763 N HA -0.204 4.525 4.740 -0.019 0.000 0.188 763 N C 1.877 177.380 175.510 -0.011 0.000 1.024 763 N CA 1.674 54.801 53.050 0.128 0.000 0.852 763 N CB -0.242 38.379 38.487 0.224 0.000 1.003 763 N HN 0.330 nan 8.380 nan 0.000 0.424 764 M N -0.199 119.300 119.600 -0.169 0.000 2.132 764 M HA -0.082 4.387 4.480 -0.019 0.000 0.263 764 M C 1.338 177.367 176.300 -0.452 0.000 1.065 764 M CA 1.194 56.099 55.300 -0.658 0.000 1.122 764 M CB -0.535 31.822 32.600 -0.405 0.000 1.365 764 M HN 0.238 nan 8.290 nan 0.000 0.411 765 L N 0.680 121.727 121.223 -0.293 0.000 2.046 765 L HA -0.198 4.131 4.340 -0.019 0.000 0.208 765 L C 2.423 178.946 176.870 -0.577 0.000 1.077 765 L CA 1.607 56.206 54.840 -0.402 0.000 0.747 765 L CB -1.070 40.833 42.059 -0.259 0.000 0.896 765 L HN 0.332 nan 8.230 nan 0.000 0.432 766 M N -1.868 117.455 119.600 -0.462 0.000 2.193 766 M HA -0.079 4.390 4.480 -0.019 0.000 0.265 766 M C 2.011 177.938 176.300 -0.623 0.000 1.071 766 M CA 1.517 56.454 55.300 -0.606 0.000 1.140 766 M CB -0.844 31.275 32.600 -0.802 0.000 1.369 766 M HN 0.335 nan 8.290 nan 0.000 0.423 767 H N -2.095 116.915 119.070 -0.099 0.000 2.800 767 H HA 0.165 4.710 4.556 -0.019 0.000 0.257 767 H C 0.347 175.725 175.328 0.082 0.000 0.967 767 H CA 0.777 56.827 56.048 0.003 0.000 1.192 767 H CB 0.069 29.879 29.762 0.080 0.000 1.441 767 H HN 0.590 nan 8.280 nan 0.000 0.461 768 H N -1.015 118.109 119.070 0.090 0.000 2.674 768 H HA 0.294 4.839 4.556 -0.019 0.000 0.235 768 H C -1.011 174.339 175.328 0.036 0.000 1.330 768 H CA -0.598 55.490 56.048 0.067 0.000 1.052 768 H CB 0.045 29.851 29.762 0.073 0.000 1.954 768 H HN -0.130 nan 8.280 nan 0.000 0.566 769 D N 1.463 121.838 120.400 -0.042 0.000 2.422 769 D HA 0.098 4.727 4.640 -0.019 0.000 0.227 769 D C 0.862 177.096 176.300 -0.111 0.000 1.190 769 D CA -0.399 53.562 54.000 -0.065 0.000 0.905 769 D CB 0.664 41.419 40.800 -0.075 0.000 1.034 769 D HN 0.475 nan 8.370 nan 0.000 0.507 770 R N 2.216 122.554 120.500 -0.270 0.000 2.241 770 R HA -0.059 4.269 4.340 -0.019 0.000 0.224 770 R C 0.588 176.402 176.300 -0.810 0.000 1.101 770 R CA 0.918 56.650 56.100 -0.614 0.000 0.995 770 R CB 0.067 29.784 30.300 -0.972 0.000 0.870 770 R HN 0.412 nan 8.270 nan 0.000 0.463 771 F N 0.074 119.980 119.950 -0.074 0.000 2.688 771 F HA 0.276 4.792 4.527 -0.019 0.000 0.310 771 F C 0.107 175.790 175.800 -0.196 0.000 1.098 771 F CA -0.693 57.254 58.000 -0.088 0.000 1.228 771 F CB 0.299 39.308 39.000 0.015 0.000 1.042 771 F HN -0.244 nan 8.300 nan 0.000 0.557 772 K N -0.423 119.801 120.400 -0.293 0.000 3.096 772 K HA -0.180 4.128 4.320 -0.019 0.000 0.266 772 K C 1.018 177.519 176.600 -0.165 0.000 1.043 772 K CA 0.248 56.185 56.287 -0.584 0.000 0.758 772 K CB -1.991 30.078 32.500 -0.718 0.000 1.260 772 K HN 0.199 nan 8.250 nan 0.000 0.481 773 V N 0.031 119.934 119.914 -0.019 0.000 2.250 773 V HA -0.326 3.783 4.120 -0.019 0.000 0.250 773 V C 1.968 178.220 176.094 0.264 0.000 1.060 773 V CA 2.541 64.911 62.300 0.115 0.000 1.030 773 V CB -0.522 31.383 31.823 0.137 0.000 0.643 773 V HN 0.472 nan 8.190 nan 0.000 0.445 774 F N 0.143 120.093 119.950 0.001 0.000 2.134 774 F HA -0.199 4.316 4.527 -0.019 0.000 0.299 774 F C 2.539 178.118 175.800 -0.368 0.000 1.097 774 F CA 0.724 58.663 58.000 -0.102 0.000 1.264 774 F CB -0.454 38.500 39.000 -0.076 0.000 1.001 774 F HN 0.191 nan 8.300 nan 0.000 0.479 775 A N -0.448 122.212 122.820 -0.266 0.000 2.024 775 A HA -0.215 4.094 4.320 -0.019 0.000 0.220 775 A C 1.518 179.075 177.584 -0.045 0.000 1.164 775 A CA 2.048 53.845 52.037 -0.401 0.000 0.643 775 A CB -0.513 18.420 19.000 -0.112 0.000 0.806 775 A HN 0.268 nan 8.150 nan 0.000 0.451 776 D N -2.893 117.545 120.400 0.063 0.000 2.379 776 D HA 0.066 4.695 4.640 -0.019 0.000 0.208 776 D C 1.272 177.725 176.300 0.255 0.000 1.065 776 D CA 0.086 54.199 54.000 0.189 0.000 0.848 776 D CB -0.186 40.738 40.800 0.206 0.000 0.949 776 D HN 0.581 nan 8.370 nan 0.000 0.509 777 Y N 2.334 122.695 120.300 0.101 0.000 2.030 777 Y HA -0.282 4.257 4.550 -0.018 0.000 0.274 777 Y C 2.141 178.114 175.900 0.121 0.000 1.153 777 Y CA 2.043 60.211 58.100 0.114 0.000 1.115 777 Y CB 0.046 38.523 38.460 0.028 0.000 0.969 777 Y HN -0.106 nan 8.280 nan 0.000 0.488 778 E N -0.041 120.243 120.200 0.141 0.000 2.048 778 E HA -0.301 4.038 4.350 -0.019 0.000 0.202 778 E C 2.222 178.803 176.600 -0.032 0.000 1.021 778 E CA 1.851 58.266 56.400 0.025 0.000 0.825 778 E CB -0.287 29.516 29.700 0.171 0.000 0.756 778 E HN 0.633 nan 8.360 nan 0.000 0.454 779 E N -0.441 119.813 120.200 0.090 0.000 2.153 779 E HA -0.203 4.136 4.350 -0.019 0.000 0.194 779 E C 1.901 178.522 176.600 0.036 0.000 0.988 779 E CA 0.757 57.232 56.400 0.126 0.000 0.811 779 E CB -0.098 29.756 29.700 0.256 0.000 0.746 779 E HN 0.276 nan 8.360 nan 0.000 0.466 780 Y N 0.839 120.986 120.300 -0.254 0.000 2.153 780 Y HA -0.194 4.345 4.550 -0.019 0.000 0.289 780 Y C 2.125 177.644 175.900 -0.636 0.000 1.127 780 Y CA 0.974 58.625 58.100 -0.748 0.000 1.131 780 Y CB -0.481 37.561 38.460 -0.697 0.000 0.995 780 Y HN -0.208 nan 8.280 nan 0.000 0.505 781 V N 0.636 120.180 119.914 -0.617 0.000 2.287 781 V HA -0.334 3.774 4.120 -0.019 0.000 0.248 781 V C 2.310 178.164 176.094 -0.401 0.000 1.053 781 V CA 2.407 64.358 62.300 -0.582 0.000 1.027 781 V CB -0.628 30.887 31.823 -0.513 0.000 0.646 781 V HN 0.286 nan 8.190 nan 0.000 0.447 782 K N -0.979 119.257 120.400 -0.274 0.000 2.057 782 K HA -0.210 4.099 4.320 -0.019 0.000 0.207 782 K C 2.266 178.762 176.600 -0.173 0.000 1.049 782 K CA 1.789 57.979 56.287 -0.162 0.000 0.931 782 K CB -0.609 31.846 32.500 -0.075 0.000 0.714 782 K HN 0.529 nan 8.250 nan 0.000 0.440 783 C N 1.132 120.300 119.300 -0.221 0.000 2.435 783 C HA -0.075 4.374 4.460 -0.019 0.000 0.279 783 C C 2.540 177.322 174.990 -0.346 0.000 1.321 783 C CA 0.678 59.584 59.018 -0.188 0.000 1.752 783 C CB -0.645 27.014 27.740 -0.135 0.000 1.959 783 C HN 0.444 nan 8.230 nan 0.000 0.500 784 Q N 0.439 119.903 119.800 -0.560 0.000 2.170 784 Q HA -0.175 4.154 4.340 -0.019 0.000 0.203 784 Q C 1.956 177.753 176.000 -0.337 0.000 0.976 784 Q CA 1.589 57.026 55.803 -0.609 0.000 0.858 784 Q CB -0.395 27.732 28.738 -1.019 0.000 0.907 784 Q HN 0.749 nan 8.270 nan 0.000 0.433 785 E N 0.241 120.301 120.200 -0.233 0.000 2.110 785 E HA -0.150 4.189 4.350 -0.019 0.000 0.193 785 E C 2.077 178.624 176.600 -0.088 0.000 0.988 785 E CA 0.690 57.015 56.400 -0.125 0.000 0.804 785 E CB 0.013 29.661 29.700 -0.087 0.000 0.745 785 E HN 0.240 nan 8.360 nan 0.000 0.458 786 R N 0.175 120.621 120.500 -0.090 0.000 2.115 786 R HA -0.082 4.247 4.340 -0.019 0.000 0.230 786 R C 2.333 178.612 176.300 -0.035 0.000 1.111 786 R CA 0.850 56.953 56.100 0.004 0.000 0.976 786 R CB -0.171 30.191 30.300 0.103 0.000 0.870 786 R HN 0.080 nan 8.270 nan 0.000 0.445 787 V N 0.222 119.951 119.914 -0.309 0.000 2.323 787 V HA -0.206 3.903 4.120 -0.019 0.000 0.244 787 V C 2.182 178.248 176.094 -0.047 0.000 1.041 787 V CA 1.757 63.793 62.300 -0.440 0.000 1.025 787 V CB -0.283 31.126 31.823 -0.689 0.000 0.656 787 V HN 0.263 nan 8.190 nan 0.000 0.451 788 S N -0.003 115.644 115.700 -0.090 0.000 2.370 788 S HA -0.216 4.243 4.470 -0.019 0.000 0.226 788 S C 2.207 176.856 174.600 0.081 0.000 1.033 788 S CA 1.514 59.701 58.200 -0.023 0.000 1.011 788 S CB -0.464 62.701 63.200 -0.058 0.000 0.852 788 S HN 0.652 nan 8.310 nan 0.000 0.457 789 A N 1.206 124.074 122.820 0.081 0.000 1.883 789 A HA -0.028 4.281 4.320 -0.019 0.000 0.217 789 A C 2.103 179.791 177.584 0.173 0.000 1.186 789 A CA 1.160 53.267 52.037 0.115 0.000 0.624 789 A CB -0.719 18.341 19.000 0.099 0.000 0.822 789 A HN 0.473 nan 8.150 nan 0.000 0.444 790 L N -2.080 119.301 121.223 0.264 0.000 2.141 790 L HA -0.133 4.196 4.340 -0.019 0.000 0.209 790 L C 2.443 179.570 176.870 0.428 0.000 1.094 790 L CA 1.664 56.737 54.840 0.387 0.000 0.763 790 L CB -0.431 41.969 42.059 0.569 0.000 0.908 790 L HN 0.611 nan 8.230 nan 0.000 0.437 791 Y N 0.907 121.301 120.300 0.156 0.000 2.352 791 Y HA -0.236 4.304 4.550 -0.017 0.000 0.292 791 Y C 2.469 178.295 175.900 -0.123 0.000 1.136 791 Y CA 1.487 59.445 58.100 -0.236 0.000 1.227 791 Y CB -0.020 38.096 38.460 -0.574 0.000 0.991 791 Y HN 0.046 nan 8.280 nan 0.000 0.545 792 K N -0.130 120.299 120.400 0.049 0.000 2.280 792 K HA -0.163 4.146 4.320 -0.019 0.000 0.202 792 K C 0.469 177.046 176.600 -0.039 0.000 1.047 792 K CA 0.946 57.243 56.287 0.017 0.000 0.942 792 K CB -0.128 32.424 32.500 0.087 0.000 0.739 792 K HN 0.058 nan 8.250 nan 0.000 0.457 793 N N 0.538 119.237 118.700 -0.001 0.000 3.091 793 N HA 0.121 4.850 4.740 -0.019 0.000 0.255 793 N C -2.395 173.117 175.510 0.004 0.000 1.204 793 N CA -2.192 50.864 53.050 0.009 0.000 0.990 793 N CB 1.081 39.605 38.487 0.061 0.000 1.260 793 N HN -0.167 nan 8.380 nan 0.000 0.502 794 P HA -0.198 nan 4.420 nan 0.000 0.216 794 P C 1.361 178.675 177.300 0.024 0.000 1.154 794 P CA 1.164 64.187 63.100 -0.128 0.000 0.865 794 P CB 0.350 31.948 31.700 -0.169 0.000 0.789 795 R N -0.075 120.439 120.500 0.025 0.000 2.075 795 R HA -0.127 4.202 4.340 -0.019 0.000 0.232 795 R C 1.847 178.196 176.300 0.083 0.000 1.126 795 R CA 1.293 57.420 56.100 0.046 0.000 0.963 795 R CB -0.291 30.024 30.300 0.026 0.000 0.858 795 R HN 0.089 nan 8.270 nan 0.000 0.435 796 E N -0.097 120.163 120.200 0.100 0.000 2.216 796 E HA -0.187 4.152 4.350 -0.019 0.000 0.192 796 E C 1.557 178.247 176.600 0.150 0.000 0.988 796 E CA 0.437 56.900 56.400 0.106 0.000 0.834 796 E CB -0.354 29.404 29.700 0.097 0.000 0.772 796 E HN 0.486 nan 8.360 nan 0.000 0.479 797 W N 2.178 123.487 121.300 0.015 0.000 2.333 797 W HA -0.207 4.441 4.660 -0.020 0.000 0.316 797 W C 1.559 178.097 176.519 0.032 0.000 1.215 797 W CA 2.150 59.521 57.345 0.044 0.000 1.278 797 W CB -0.397 29.068 29.460 0.008 0.000 1.154 797 W HN 0.024 nan 8.180 nan 0.000 0.486 798 T N 1.073 115.768 114.554 0.235 0.000 2.915 798 T HA -0.144 4.194 4.350 -0.019 0.000 0.269 798 T C 1.812 176.532 174.700 0.034 0.000 1.071 798 T CA 1.467 63.639 62.100 0.121 0.000 1.132 798 T CB -0.256 68.679 68.868 0.111 0.000 0.878 798 T HN 0.186 nan 8.240 nan 0.000 0.479 799 R N 0.294 120.818 120.500 0.040 0.000 2.090 799 R HA 0.194 4.523 4.340 -0.019 0.000 0.228 799 R C 2.498 178.792 176.300 -0.009 0.000 1.110 799 R CA 0.899 57.021 56.100 0.037 0.000 0.973 799 R CB -0.283 30.045 30.300 0.045 0.000 0.869 799 R HN 0.341 nan 8.270 nan 0.000 0.440 800 M N 0.532 120.089 119.600 -0.072 0.000 2.117 800 M HA -0.159 4.310 4.480 -0.019 0.000 0.262 800 M C 1.963 178.161 176.300 -0.170 0.000 1.065 800 M CA 1.451 56.665 55.300 -0.145 0.000 1.114 800 M CB 0.113 32.570 32.600 -0.238 0.000 1.361 800 M HN -0.012 nan 8.290 nan 0.000 0.408 801 V N 0.943 120.729 119.914 -0.214 0.000 2.282 801 V HA -0.333 3.776 4.120 -0.019 0.000 0.249 801 V C 2.203 178.274 176.094 -0.038 0.000 1.057 801 V CA 2.124 64.331 62.300 -0.154 0.000 1.032 801 V CB -0.670 31.083 31.823 -0.117 0.000 0.645 801 V HN 0.514 nan 8.190 nan 0.000 0.447 802 I N -0.674 119.904 120.570 0.014 0.000 2.286 802 I HA -0.245 3.913 4.170 -0.019 0.000 0.248 802 I C 2.704 178.868 176.117 0.079 0.000 1.115 802 I CA 1.537 62.899 61.300 0.103 0.000 1.392 802 I CB -0.423 37.701 38.000 0.207 0.000 1.065 802 I HN 0.214 nan 8.210 nan 0.000 0.418 803 R N 0.454 120.975 120.500 0.036 0.000 2.115 803 R HA -0.110 4.219 4.340 -0.019 0.000 0.230 803 R C 2.040 178.365 176.300 0.042 0.000 1.111 803 R CA 1.156 57.275 56.100 0.031 0.000 0.976 803 R CB -0.398 29.906 30.300 0.006 0.000 0.870 803 R HN 0.530 nan 8.270 nan 0.000 0.445 804 N N 0.700 119.414 118.700 0.024 0.000 2.092 804 N HA -0.082 4.646 4.740 -0.019 0.000 0.189 804 N C 1.965 177.523 175.510 0.080 0.000 1.040 804 N CA 1.109 54.193 53.050 0.056 0.000 0.845 804 N CB -0.054 38.424 38.487 -0.015 0.000 1.017 804 N HN 0.110 nan 8.380 nan 0.000 0.426 805 I N 1.530 122.136 120.570 0.060 0.000 2.264 805 I HA -0.232 3.927 4.170 -0.019 0.000 0.248 805 I C 2.284 178.443 176.117 0.069 0.000 1.111 805 I CA 0.824 62.165 61.300 0.069 0.000 1.382 805 I CB -0.220 37.817 38.000 0.062 0.000 1.060 805 I HN 0.118 nan 8.210 nan 0.000 0.418 806 A N 0.048 122.907 122.820 0.066 0.000 2.119 806 A HA -0.084 4.225 4.320 -0.019 0.000 0.216 806 A C 1.930 179.544 177.584 0.050 0.000 1.152 806 A CA 1.603 53.667 52.037 0.046 0.000 0.708 806 A CB -0.659 18.368 19.000 0.046 0.000 0.805 806 A HN 0.499 nan 8.150 nan 0.000 0.460 807 T N -2.920 111.681 114.554 0.078 0.000 3.182 807 T HA 0.176 4.515 4.350 -0.019 0.000 0.277 807 T C 1.025 175.810 174.700 0.143 0.000 1.013 807 T CA 0.554 62.705 62.100 0.086 0.000 0.900 807 T CB -0.231 68.687 68.868 0.084 0.000 1.098 807 T HN 0.419 nan 8.240 nan 0.000 0.543 808 S N 0.019 115.820 115.700 0.168 0.000 2.575 808 S HA 0.291 4.749 4.470 -0.019 0.000 0.215 808 S C 2.195 176.914 174.600 0.199 0.000 0.966 808 S CA 0.188 58.560 58.200 0.288 0.000 0.911 808 S CB -0.516 62.835 63.200 0.252 0.000 0.780 808 S HN 0.514 nan 8.310 nan 0.000 0.514 809 G N 2.987 111.833 108.800 0.075 0.000 2.574 809 G HA2 -0.346 3.603 3.960 -0.019 0.000 0.220 809 G HA3 -0.346 3.603 3.960 -0.019 0.000 0.220 809 G C 1.328 176.181 174.900 -0.078 0.000 1.173 809 G CA 1.188 46.297 45.100 0.016 0.000 0.772 809 G HN 0.565 nan 8.290 nan 0.000 0.585 810 K N -0.187 120.048 120.400 -0.274 0.000 2.218 810 K HA -0.061 4.247 4.320 -0.019 0.000 0.205 810 K C 1.328 177.602 176.600 -0.542 0.000 1.046 810 K CA 0.831 56.808 56.287 -0.517 0.000 0.933 810 K CB -0.248 31.749 32.500 -0.839 0.000 0.728 810 K HN 0.456 nan 8.250 nan 0.000 0.454 811 F N 0.619 120.593 119.950 0.040 0.000 2.645 811 F HA 0.114 4.629 4.527 -0.019 0.000 0.300 811 F C 0.766 176.604 175.800 0.064 0.000 1.115 811 F CA -0.614 57.416 58.000 0.050 0.000 1.355 811 F CB 0.497 39.525 39.000 0.046 0.000 1.026 811 F HN -0.143 nan 8.300 nan 0.000 0.536 812 S N 0.319 116.098 115.700 0.132 0.000 2.523 812 S HA 0.081 4.540 4.470 -0.019 0.000 0.275 812 S C 1.462 176.130 174.600 0.112 0.000 1.281 812 S CA -0.189 58.082 58.200 0.119 0.000 1.050 812 S CB 0.910 64.151 63.200 0.069 0.000 0.937 812 S HN 0.355 nan 8.310 nan 0.000 0.492 813 S N 3.416 119.205 115.700 0.149 0.000 2.465 813 S HA -0.124 4.335 4.470 -0.019 0.000 0.241 813 S C 1.009 175.628 174.600 0.033 0.000 1.000 813 S CA 1.041 59.330 58.200 0.149 0.000 0.964 813 S CB -0.454 62.899 63.200 0.256 0.000 0.763 813 S HN 0.810 nan 8.310 nan 0.000 0.512 814 D N 1.840 122.257 120.400 0.028 0.000 2.097 814 D HA -0.100 4.529 4.640 -0.019 0.000 0.195 814 D C 2.129 178.420 176.300 -0.016 0.000 0.989 814 D CA 0.904 54.902 54.000 -0.003 0.000 0.827 814 D CB -0.386 40.416 40.800 0.002 0.000 0.966 814 D HN 0.301 nan 8.370 nan 0.000 0.456 815 R N 0.822 121.316 120.500 -0.010 0.000 2.082 815 R HA -0.120 4.209 4.340 -0.019 0.000 0.234 815 R C 2.010 178.290 176.300 -0.033 0.000 1.136 815 R CA 1.716 57.798 56.100 -0.030 0.000 0.935 815 R CB -0.937 29.334 30.300 -0.048 0.000 0.842 815 R HN 0.138 nan 8.270 nan 0.000 0.430 816 T N 2.338 116.890 114.554 -0.003 0.000 2.624 816 T HA -0.185 4.154 4.350 -0.019 0.000 0.268 816 T C 1.948 176.648 174.700 -0.000 0.000 1.041 816 T CA 1.732 63.848 62.100 0.026 0.000 1.159 816 T CB -0.200 68.740 68.868 0.120 0.000 0.863 816 T HN 0.139 nan 8.240 nan 0.000 0.434 817 I N 1.613 122.106 120.570 -0.128 0.000 2.252 817 I HA -0.087 4.072 4.170 -0.019 0.000 0.245 817 I C 2.970 179.050 176.117 -0.062 0.000 1.102 817 I CA 1.054 62.254 61.300 -0.168 0.000 1.385 817 I CB -1.708 36.171 38.000 -0.202 0.000 1.064 817 I HN 0.216 nan 8.210 nan 0.000 0.414 818 A N 0.070 122.864 122.820 -0.044 0.000 1.940 818 A HA -0.263 4.045 4.320 -0.019 0.000 0.219 818 A C 2.287 179.829 177.584 -0.071 0.000 1.176 818 A CA 1.667 53.685 52.037 -0.032 0.000 0.631 818 A CB -0.631 18.354 19.000 -0.025 0.000 0.814 818 A HN 0.490 nan 8.150 nan 0.000 0.446 819 Q N -1.926 117.811 119.800 -0.104 0.000 2.079 819 Q HA -0.158 4.171 4.340 -0.019 0.000 0.200 819 Q C 1.886 177.709 176.000 -0.295 0.000 0.974 819 Q CA 1.737 57.434 55.803 -0.177 0.000 0.840 819 Q CB -0.276 28.345 28.738 -0.194 0.000 0.898 819 Q HN 0.830 nan 8.270 nan 0.000 0.430 820 Y N 0.007 120.025 120.300 -0.469 0.000 2.145 820 Y HA -0.279 4.260 4.550 -0.019 0.000 0.286 820 Y C 2.365 177.699 175.900 -0.943 0.000 1.145 820 Y CA 1.156 58.721 58.100 -0.892 0.000 1.148 820 Y CB -0.431 37.189 38.460 -1.400 0.000 0.981 820 Y HN 0.177 nan 8.280 nan 0.000 0.507 821 A N 0.374 122.984 122.820 -0.350 0.000 1.883 821 A HA -0.233 4.076 4.320 -0.019 0.000 0.217 821 A C 2.252 179.851 177.584 0.024 0.000 1.186 821 A CA 2.087 54.155 52.037 0.052 0.000 0.624 821 A CB -0.539 18.558 19.000 0.161 0.000 0.822 821 A HN 0.416 nan 8.150 nan 0.000 0.444 822 R N -0.935 119.537 120.500 -0.046 0.000 2.100 822 R HA 0.002 4.331 4.340 -0.019 0.000 0.220 822 R C 1.695 177.972 176.300 -0.039 0.000 1.091 822 R CA 1.380 57.467 56.100 -0.022 0.000 0.986 822 R CB -0.133 30.150 30.300 -0.029 0.000 0.888 822 R HN 0.652 nan 8.270 nan 0.000 0.444 823 E N -0.478 119.658 120.200 -0.106 0.000 2.460 823 E HA 0.117 4.455 4.350 -0.019 0.000 0.200 823 E C 1.356 177.909 176.600 -0.080 0.000 1.011 823 E CA 0.315 56.658 56.400 -0.095 0.000 0.912 823 E CB 0.591 30.207 29.700 -0.141 0.000 0.953 823 E HN 0.261 nan 8.360 nan 0.000 0.494 824 I N -1.267 119.220 120.570 -0.139 0.000 3.873 824 I HA 0.036 4.195 4.170 -0.019 0.000 0.284 824 I C 1.309 177.555 176.117 0.215 0.000 1.186 824 I CA -0.048 61.227 61.300 -0.040 0.000 1.362 824 I CB 0.298 38.125 38.000 -0.289 0.000 1.432 824 I HN 0.106 nan 8.210 nan 0.000 0.454 825 W N 1.352 122.744 121.300 0.154 0.000 2.704 825 W HA 0.389 5.037 4.660 -0.019 0.000 0.266 825 W C 1.386 177.938 176.519 0.056 0.000 1.266 825 W CA 0.774 58.190 57.345 0.119 0.000 1.377 825 W CB -0.917 28.602 29.460 0.099 0.000 1.082 825 W HN 0.259 nan 8.180 nan 0.000 0.608 826 G N 1.402 110.341 108.800 0.232 0.000 2.291 826 G HA2 -0.064 3.885 3.960 -0.019 0.000 0.271 826 G HA3 -0.064 3.885 3.960 -0.019 0.000 0.271 826 G C -0.456 174.514 174.900 0.117 0.000 1.099 826 G CA 0.137 45.313 45.100 0.128 0.000 0.919 826 G HN 0.404 nan 8.290 nan 0.000 0.496 827 V N -4.087 115.913 119.914 0.144 0.000 3.007 827 V HA 0.904 5.012 4.120 -0.019 0.000 0.311 827 V C -0.342 175.809 176.094 0.094 0.000 1.120 827 V CA -1.675 60.690 62.300 0.108 0.000 0.980 827 V CB 2.354 34.246 31.823 0.116 0.000 1.033 827 V HN 0.154 nan 8.190 nan 0.000 0.429 828 E N 2.858 123.098 120.200 0.067 0.000 2.115 828 E HA 0.496 4.835 4.350 -0.019 0.000 0.282 828 E C -2.625 174.010 176.600 0.060 0.000 0.987 828 E CA -1.825 54.609 56.400 0.056 0.000 0.797 828 E CB 1.699 31.425 29.700 0.044 0.000 1.086 828 E HN 0.658 nan 8.360 nan 0.000 0.397 829 P HA 0.008 nan 4.420 nan 0.000 0.267 829 P C -0.572 176.757 177.300 0.048 0.000 1.205 829 P CA 0.094 63.227 63.100 0.055 0.000 0.765 829 P CB 0.673 32.399 31.700 0.043 0.000 0.828 830 S N 2.621 118.353 115.700 0.054 0.000 2.503 830 S HA 0.394 4.853 4.470 -0.019 0.000 0.301 830 S C 0.533 175.161 174.600 0.046 0.000 1.087 830 S CA -0.768 57.463 58.200 0.052 0.000 1.042 830 S CB 1.018 64.258 63.200 0.066 0.000 1.043 830 S HN 0.240 nan 8.310 nan 0.000 0.489 831 R N 1.917 122.440 120.500 0.038 0.000 2.432 831 R HA 0.204 4.533 4.340 -0.019 0.000 0.260 831 R C -0.137 176.178 176.300 0.026 0.000 0.935 831 R CA 0.047 56.167 56.100 0.034 0.000 1.080 831 R CB 0.264 30.582 30.300 0.031 0.000 1.155 831 R HN 0.712 nan 8.270 nan 0.000 0.531 832 Q N 0.955 120.771 119.800 0.026 0.000 2.314 832 Q HA 0.171 4.500 4.340 -0.019 0.000 0.258 832 Q C -0.209 175.790 176.000 -0.003 0.000 0.954 832 Q CA -0.144 55.667 55.803 0.013 0.000 0.890 832 Q CB 1.163 29.912 28.738 0.018 0.000 1.210 832 Q HN -0.183 nan 8.270 nan 0.000 0.410 833 R N 1.194 121.682 120.500 -0.020 0.000 2.784 833 R HA 0.193 4.521 4.340 -0.019 0.000 0.266 833 R C -0.549 175.712 176.300 -0.064 0.000 1.044 833 R CA 0.310 56.386 56.100 -0.041 0.000 1.151 833 R CB 0.344 30.618 30.300 -0.043 0.000 1.037 833 R HN 0.484 nan 8.270 nan 0.000 0.478 834 L N 4.183 125.354 121.223 -0.087 0.000 2.331 834 L HA 0.505 4.834 4.340 -0.019 0.000 0.275 834 L C -1.887 174.925 176.870 -0.097 0.000 1.022 834 L CA -2.382 52.377 54.840 -0.134 0.000 0.812 834 L CB 1.832 43.779 42.059 -0.185 0.000 1.257 834 L HN 0.514 nan 8.230 nan 0.000 0.435 835 P HA 0.083 nan 4.420 nan 0.000 0.267 835 P C -0.776 176.496 177.300 -0.047 0.000 1.200 835 P CA -0.150 62.915 63.100 -0.059 0.000 0.772 835 P CB 0.872 32.541 31.700 -0.052 0.000 0.855 836 A N 0.000 122.801 122.820 -0.031 0.000 2.254 836 A HA 0.000 4.309 4.320 -0.019 0.000 0.244 836 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 836 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486