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 3mrt_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 KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.987 176.000 -0.022 0.000 1.003 12 Q CA 0.000 55.778 55.803 -0.041 0.000 1.022 12 Q CB 0.000 28.705 28.738 -0.055 0.000 1.108 13 I N -0.306 120.255 120.570 -0.015 0.000 2.460 13 I HA 0.587 4.749 4.170 -0.014 0.000 0.298 13 I C 0.848 176.967 176.117 0.004 0.000 0.989 13 I CA -0.261 61.038 61.300 -0.002 0.000 1.173 13 I CB 2.088 40.091 38.000 0.004 0.000 1.338 13 I HN 0.228 nan 8.210 nan 0.000 0.456 14 S N 3.746 119.454 115.700 0.013 0.000 2.359 14 S HA -0.165 4.297 4.470 -0.014 0.000 0.224 14 S C 1.752 176.364 174.600 0.020 0.000 1.035 14 S CA 2.141 60.350 58.200 0.016 0.000 1.018 14 S CB -0.505 62.709 63.200 0.023 0.000 0.876 14 S HN 0.802 nan 8.310 nan 0.000 0.448 15 V N -0.150 119.784 119.914 0.032 0.000 3.078 15 V HA 0.116 4.228 4.120 -0.014 0.000 0.265 15 V C 1.975 178.087 176.094 0.030 0.000 1.122 15 V CA 1.325 63.649 62.300 0.039 0.000 1.141 15 V CB -0.976 30.879 31.823 0.053 0.000 0.735 15 V HN 0.364 nan 8.190 nan 0.000 0.498 16 R N 1.212 121.720 120.500 0.014 0.000 2.313 16 R HA 0.406 4.738 4.340 -0.014 0.000 0.199 16 R C 1.169 177.463 176.300 -0.011 0.000 0.958 16 R CA 0.614 56.715 56.100 0.002 0.000 1.047 16 R CB -0.078 30.219 30.300 -0.005 0.000 0.955 16 R HN 0.783 nan 8.270 nan 0.000 0.481 17 G N 0.461 109.255 108.800 -0.011 0.000 2.631 17 G HA2 -0.199 3.753 3.960 -0.014 0.000 0.504 17 G HA3 -0.199 3.753 3.960 -0.014 0.000 0.504 17 G C -1.026 173.860 174.900 -0.022 0.000 1.306 17 G CA -1.088 43.997 45.100 -0.024 0.000 0.897 17 G HN -0.043 nan 8.290 nan 0.000 0.520 18 L N 0.513 121.720 121.223 -0.026 0.000 2.395 18 L HA 0.654 4.986 4.340 -0.014 0.000 0.269 18 L C 1.253 178.111 176.870 -0.020 0.000 1.133 18 L CA 0.467 55.295 54.840 -0.020 0.000 0.812 18 L CB 1.074 43.122 42.059 -0.019 0.000 1.125 18 L HN 1.541 nan 8.230 nan 0.000 0.452 19 A N 2.663 125.475 122.820 -0.013 0.000 3.056 19 A HA 0.575 4.886 4.320 -0.014 0.000 0.328 19 A C 0.675 178.258 177.584 -0.002 0.000 1.233 19 A CA -0.355 51.677 52.037 -0.009 0.000 0.965 19 A CB -0.292 18.704 19.000 -0.007 0.000 1.123 19 A HN 0.792 nan 8.150 nan 0.000 0.502 20 G N -0.077 108.721 108.800 -0.002 0.000 2.491 20 G HA2 0.347 4.299 3.960 -0.014 0.000 0.238 20 G HA3 0.347 4.299 3.960 -0.014 0.000 0.238 20 G C 1.023 175.928 174.900 0.009 0.000 1.277 20 G CA 0.020 45.122 45.100 0.003 0.000 0.851 20 G HN 0.467 nan 8.290 nan 0.000 0.573 21 V N 1.815 121.735 119.914 0.010 0.000 2.255 21 V HA -0.201 3.910 4.120 -0.014 0.000 0.247 21 V C 2.687 178.791 176.094 0.018 0.000 1.051 21 V CA 2.454 64.762 62.300 0.013 0.000 1.018 21 V CB -0.748 31.082 31.823 0.012 0.000 0.641 21 V HN 0.803 nan 8.190 nan 0.000 0.445 22 E N 0.308 120.519 120.200 0.019 0.000 2.077 22 E HA -0.207 4.135 4.350 -0.014 0.000 0.193 22 E C 2.085 178.707 176.600 0.036 0.000 0.989 22 E CA 1.644 58.060 56.400 0.025 0.000 0.800 22 E CB -0.274 29.441 29.700 0.024 0.000 0.746 22 E HN 0.615 nan 8.360 nan 0.000 0.452 23 N N -0.874 117.845 118.700 0.033 0.000 2.084 23 N HA -0.139 4.593 4.740 -0.014 0.000 0.190 23 N C 1.610 177.146 175.510 0.043 0.000 1.030 23 N CA 1.254 54.329 53.050 0.040 0.000 0.849 23 N CB -0.084 38.413 38.487 0.016 0.000 1.012 23 N HN -0.023 nan 8.380 nan 0.000 0.423 24 V N 0.174 120.105 119.914 0.029 0.000 2.343 24 V HA -0.237 3.875 4.120 -0.014 0.000 0.247 24 V C 2.049 178.164 176.094 0.036 0.000 1.051 24 V CA 1.918 64.234 62.300 0.028 0.000 1.036 24 V CB -0.963 30.872 31.823 0.020 0.000 0.654 24 V HN 0.417 nan 8.190 nan 0.000 0.451 25 T N -0.532 114.043 114.554 0.035 0.000 2.684 25 T HA -0.246 4.096 4.350 -0.014 0.000 0.267 25 T C 1.933 176.666 174.700 0.055 0.000 1.036 25 T CA 1.910 64.032 62.100 0.036 0.000 1.148 25 T CB -0.224 68.661 68.868 0.029 0.000 0.863 25 T HN 0.467 nan 8.240 nan 0.000 0.436 26 E N 0.875 121.116 120.200 0.067 0.000 2.072 26 E HA -0.012 4.330 4.350 -0.014 0.000 0.191 26 E C 2.076 178.754 176.600 0.129 0.000 0.985 26 E CA 0.846 57.300 56.400 0.090 0.000 0.801 26 E CB -0.514 29.245 29.700 0.098 0.000 0.750 26 E HN 0.437 nan 8.360 nan 0.000 0.452 27 L N 0.192 121.498 121.223 0.139 0.000 2.042 27 L HA -0.219 4.113 4.340 -0.014 0.000 0.210 27 L C 2.439 179.417 176.870 0.180 0.000 1.076 27 L CA 1.569 56.514 54.840 0.175 0.000 0.749 27 L CB -0.355 41.778 42.059 0.123 0.000 0.893 27 L HN 0.080 nan 8.230 nan 0.000 0.432 28 K N 0.378 120.844 120.400 0.110 0.000 2.057 28 K HA -0.208 4.103 4.320 -0.014 0.000 0.207 28 K C 2.134 178.830 176.600 0.160 0.000 1.049 28 K CA 1.748 58.091 56.287 0.092 0.000 0.931 28 K CB -0.087 32.428 32.500 0.025 0.000 0.714 28 K HN 0.393 nan 8.250 nan 0.000 0.440 29 K N 0.164 120.640 120.400 0.128 0.000 2.155 29 K HA -0.029 4.283 4.320 -0.014 0.000 0.203 29 K C 1.526 178.210 176.600 0.140 0.000 1.052 29 K CA 1.191 57.549 56.287 0.117 0.000 0.948 29 K CB -0.080 32.463 32.500 0.073 0.000 0.728 29 K HN -0.012 nan 8.250 nan 0.000 0.448 30 N N 0.659 119.455 118.700 0.160 0.000 2.244 30 N HA -0.117 4.615 4.740 -0.014 0.000 0.183 30 N C 1.577 177.238 175.510 0.252 0.000 1.016 30 N CA 0.945 54.088 53.050 0.154 0.000 0.866 30 N CB -0.296 38.297 38.487 0.177 0.000 0.980 30 N HN 0.217 nan 8.380 nan 0.000 0.430 31 F N 2.502 122.552 119.950 0.166 0.000 2.102 31 F HA -0.126 4.392 4.527 -0.014 0.000 0.298 31 F C 2.002 177.904 175.800 0.169 0.000 1.105 31 F CA 1.283 59.394 58.000 0.186 0.000 1.239 31 F CB -0.137 38.945 39.000 0.137 0.000 0.991 31 F HN -0.034 nan 8.300 nan 0.000 0.474 32 N N 0.478 119.410 118.700 0.386 0.000 2.166 32 N HA -0.194 4.537 4.740 -0.014 0.000 0.186 32 N C 2.010 177.601 175.510 0.135 0.000 1.019 32 N CA 1.211 54.406 53.050 0.242 0.000 0.856 32 N CB -0.574 38.029 38.487 0.192 0.000 0.993 32 N HN 0.374 nan 8.380 nan 0.000 0.426 33 R N 0.178 120.755 120.500 0.128 0.000 2.073 33 R HA -0.094 4.238 4.340 -0.014 0.000 0.234 33 R C 1.804 178.187 176.300 0.138 0.000 1.134 33 R CA 1.449 57.651 56.100 0.169 0.000 0.952 33 R CB -0.208 30.128 30.300 0.059 0.000 0.850 33 R HN 0.397 nan 8.270 nan 0.000 0.433 34 H N -0.337 118.776 119.070 0.071 0.000 2.357 34 H HA -0.126 4.421 4.556 -0.014 0.000 0.301 34 H C 1.926 177.177 175.328 -0.129 0.000 1.082 34 H CA 1.442 57.456 56.048 -0.057 0.000 1.342 34 H CB 0.048 29.732 29.762 -0.130 0.000 1.389 34 H HN 0.115 nan 8.280 nan 0.000 0.511 35 L N 0.091 121.284 121.223 -0.050 0.000 2.042 35 L HA -0.229 4.102 4.340 -0.014 0.000 0.210 35 L C 2.234 179.078 176.870 -0.043 0.000 1.076 35 L CA 1.971 56.759 54.840 -0.087 0.000 0.749 35 L CB -0.508 41.522 42.059 -0.047 0.000 0.893 35 L HN 0.319 nan 8.230 nan 0.000 0.432 36 H N -1.749 117.243 119.070 -0.129 0.000 2.260 36 H HA -0.092 4.455 4.556 -0.014 0.000 0.304 36 H C 1.849 176.993 175.328 -0.306 0.000 1.059 36 H CA 2.355 58.238 56.048 -0.275 0.000 1.305 36 H CB -0.337 29.163 29.762 -0.436 0.000 1.388 36 H HN 0.288 nan 8.280 nan 0.000 0.496 37 F N -0.349 119.580 119.950 -0.034 0.000 2.234 37 F HA -0.039 4.480 4.527 -0.014 0.000 0.296 37 F C 2.619 178.342 175.800 -0.130 0.000 1.089 37 F CA 1.438 59.376 58.000 -0.103 0.000 1.343 37 F CB -0.397 38.582 39.000 -0.034 0.000 1.040 37 F HN 0.197 nan 8.300 nan 0.000 0.498 38 T N -0.175 114.409 114.554 0.050 0.000 2.901 38 T HA 0.061 4.403 4.350 -0.014 0.000 0.252 38 T C 1.944 176.542 174.700 -0.170 0.000 1.035 38 T CA 0.845 62.894 62.100 -0.085 0.000 1.142 38 T CB -0.318 68.445 68.868 -0.175 0.000 0.869 38 T HN 0.107 nan 8.240 nan 0.000 0.442 39 L N 1.229 122.352 121.223 -0.167 0.000 2.529 39 L HA 0.197 4.528 4.340 -0.014 0.000 0.223 39 L C 0.360 177.137 176.870 -0.156 0.000 1.113 39 L CA -0.084 54.653 54.840 -0.171 0.000 0.861 39 L CB 0.005 41.972 42.059 -0.154 0.000 1.012 39 L HN -0.012 nan 8.230 nan 0.000 0.461 40 V N 0.193 119.996 119.914 -0.186 0.000 5.820 40 V HA -0.282 3.830 4.120 -0.014 0.000 0.300 40 V C -0.072 175.915 176.094 -0.178 0.000 0.585 40 V CA 1.101 63.267 62.300 -0.224 0.000 0.629 40 V CB -2.262 29.457 31.823 -0.175 0.000 0.291 40 V HN 0.400 nan 8.190 nan 0.000 0.887 41 K N 0.884 121.189 120.400 -0.158 0.000 2.482 41 K HA 0.730 5.041 4.320 -0.014 0.000 0.257 41 K C -0.423 176.151 176.600 -0.042 0.000 0.969 41 K CA -0.481 55.746 56.287 -0.100 0.000 0.842 41 K CB 2.773 35.209 32.500 -0.106 0.000 1.359 41 K HN 0.470 nan 8.250 nan 0.000 0.441 42 D N -0.648 119.749 120.400 -0.006 0.000 2.525 42 D HA 0.316 4.948 4.640 -0.014 0.000 0.249 42 D C 0.692 177.033 176.300 0.068 0.000 1.072 42 D CA -0.681 53.350 54.000 0.051 0.000 1.067 42 D CB 0.799 41.632 40.800 0.055 0.000 1.282 42 D HN 0.107 nan 8.370 nan 0.000 0.587 43 R N -0.144 120.429 120.500 0.122 0.000 2.293 43 R HA -0.019 4.312 4.340 -0.014 0.000 0.219 43 R C 0.825 177.202 176.300 0.129 0.000 1.091 43 R CA 0.474 56.686 56.100 0.186 0.000 1.004 43 R CB -0.704 29.705 30.300 0.183 0.000 0.865 43 R HN 0.486 nan 8.270 nan 0.000 0.469 44 N N 0.206 118.949 118.700 0.071 0.000 2.300 44 N HA -0.082 4.650 4.740 -0.014 0.000 0.179 44 N C 1.632 177.161 175.510 0.031 0.000 1.016 44 N CA 1.334 54.413 53.050 0.049 0.000 0.876 44 N CB 0.315 38.820 38.487 0.031 0.000 0.979 44 N HN 0.226 nan 8.380 nan 0.000 0.432 45 V N -3.117 116.802 119.914 0.009 0.000 3.556 45 V HA 0.524 4.636 4.120 -0.014 0.000 0.287 45 V C 0.749 176.808 176.094 -0.059 0.000 1.422 45 V CA -0.497 61.793 62.300 -0.016 0.000 1.038 45 V CB -0.366 31.444 31.823 -0.021 0.000 0.850 45 V HN 0.042 nan 8.190 nan 0.000 0.437 46 A N 2.703 125.463 122.820 -0.099 0.000 2.524 46 A HA 0.494 4.806 4.320 -0.014 0.000 0.250 46 A C 0.865 178.258 177.584 -0.319 0.000 1.078 46 A CA 0.880 52.746 52.037 -0.286 0.000 0.761 46 A CB -0.404 18.291 19.000 -0.509 0.000 1.012 46 A HN 0.829 nan 8.150 nan 0.000 0.500 47 T N 1.007 115.399 114.554 -0.270 0.000 2.849 47 T HA 0.450 4.791 4.350 -0.014 0.000 0.284 47 T C -1.888 172.698 174.700 -0.191 0.000 1.004 47 T CA -1.487 60.520 62.100 -0.155 0.000 1.021 47 T CB 0.845 69.667 68.868 -0.076 0.000 1.013 47 T HN 0.310 nan 8.240 nan 0.000 0.527 48 P HA -0.063 nan 4.420 nan 0.000 0.218 48 P C 1.597 178.954 177.300 0.095 0.000 1.148 48 P CA 0.858 64.042 63.100 0.140 0.000 0.822 48 P CB 0.042 31.811 31.700 0.114 0.000 0.784 49 R N 0.006 120.506 120.500 -0.000 0.000 2.092 49 R HA -0.132 4.200 4.340 -0.014 0.000 0.231 49 R C 1.659 178.017 176.300 0.097 0.000 1.119 49 R CA 1.630 57.722 56.100 -0.013 0.000 0.970 49 R CB -0.657 29.583 30.300 -0.099 0.000 0.864 49 R HN 0.070 nan 8.270 nan 0.000 0.440 50 D N -0.285 120.128 120.400 0.020 0.000 2.123 50 D HA -0.201 4.431 4.640 -0.014 0.000 0.196 50 D C 1.687 177.985 176.300 -0.002 0.000 0.992 50 D CA 1.366 55.356 54.000 -0.015 0.000 0.833 50 D CB -0.303 40.359 40.800 -0.230 0.000 0.954 50 D HN 0.300 nan 8.370 nan 0.000 0.455 51 Y N 0.005 120.382 120.300 0.128 0.000 2.200 51 Y HA -0.198 4.344 4.550 -0.014 0.000 0.290 51 Y C 2.326 178.341 175.900 0.192 0.000 1.137 51 Y CA 0.325 58.550 58.100 0.207 0.000 1.163 51 Y CB -1.202 37.438 38.460 0.300 0.000 0.988 51 Y HN 0.084 nan 8.280 nan 0.000 0.518 52 Y N -0.390 120.017 120.300 0.179 0.000 2.097 52 Y HA -0.312 4.230 4.550 -0.014 0.000 0.282 52 Y C 2.066 177.962 175.900 -0.006 0.000 1.152 52 Y CA 1.444 59.560 58.100 0.028 0.000 1.136 52 Y CB -1.181 37.171 38.460 -0.181 0.000 0.975 52 Y HN 0.074 nan 8.280 nan 0.000 0.498 53 F N 0.074 119.832 119.950 -0.320 0.000 2.171 53 F HA -0.178 4.340 4.527 -0.014 0.000 0.300 53 F C 2.646 178.276 175.800 -0.284 0.000 1.090 53 F CA 0.889 58.647 58.000 -0.402 0.000 1.293 53 F CB -0.639 38.273 39.000 -0.147 0.000 1.013 53 F HN 0.226 nan 8.300 nan 0.000 0.486 54 A N -0.025 122.729 122.820 -0.111 0.000 1.902 54 A HA -0.207 4.104 4.320 -0.014 0.000 0.217 54 A C 2.023 179.468 177.584 -0.232 0.000 1.181 54 A CA 1.645 53.473 52.037 -0.349 0.000 0.623 54 A CB -0.982 17.478 19.000 -0.901 0.000 0.818 54 A HN 0.358 nan 8.150 nan 0.000 0.443 55 L N -0.311 120.898 121.223 -0.023 0.000 2.027 55 L HA 0.005 4.337 4.340 -0.014 0.000 0.206 55 L C 2.670 179.567 176.870 0.045 0.000 1.074 55 L CA 2.162 57.139 54.840 0.228 0.000 0.745 55 L CB -0.934 41.338 42.059 0.355 0.000 0.898 55 L HN 0.338 nan 8.230 nan 0.000 0.433 56 A N -1.182 121.516 122.820 -0.203 0.000 1.883 56 A HA -0.296 4.015 4.320 -0.014 0.000 0.217 56 A C 2.163 179.493 177.584 -0.423 0.000 1.186 56 A CA 2.065 53.897 52.037 -0.342 0.000 0.624 56 A CB -1.125 17.408 19.000 -0.778 0.000 0.822 56 A HN 0.668 nan 8.150 nan 0.000 0.444 57 H N -0.744 118.055 119.070 -0.452 0.000 2.353 57 H HA -0.070 4.478 4.556 -0.014 0.000 0.300 57 H C 2.377 177.486 175.328 -0.365 0.000 1.090 57 H CA 2.126 57.822 56.048 -0.586 0.000 1.327 57 H CB -0.278 28.851 29.762 -1.056 0.000 1.383 57 H HN 0.464 nan 8.280 nan 0.000 0.508 58 T N -0.390 114.163 114.554 -0.002 0.000 2.708 58 T HA -0.137 4.205 4.350 -0.014 0.000 0.266 58 T C 2.261 177.139 174.700 0.297 0.000 1.037 58 T CA 1.378 63.636 62.100 0.264 0.000 1.146 58 T CB -0.404 68.674 68.868 0.350 0.000 0.865 58 T HN 0.087 nan 8.240 nan 0.000 0.435 59 V N 1.926 121.982 119.914 0.238 0.000 2.307 59 V HA -0.139 3.973 4.120 -0.014 0.000 0.245 59 V C 2.638 178.912 176.094 0.300 0.000 1.045 59 V CA 1.831 64.302 62.300 0.285 0.000 1.024 59 V CB -0.654 31.337 31.823 0.280 0.000 0.651 59 V HN 0.435 nan 8.190 nan 0.000 0.449 60 R N 0.378 121.000 120.500 0.204 0.000 2.127 60 R HA -0.221 4.111 4.340 -0.014 0.000 0.238 60 R C 1.803 178.193 176.300 0.150 0.000 1.134 60 R CA 2.123 58.333 56.100 0.184 0.000 0.975 60 R CB -0.571 29.661 30.300 -0.113 0.000 0.865 60 R HN 0.430 nan 8.270 nan 0.000 0.447 61 D N 0.356 120.832 120.400 0.126 0.000 2.182 61 D HA -0.172 4.460 4.640 -0.014 0.000 0.201 61 D C 1.629 177.945 176.300 0.025 0.000 0.986 61 D CA 1.128 55.179 54.000 0.086 0.000 0.847 61 D CB -0.384 40.468 40.800 0.088 0.000 0.942 61 D HN 0.479 nan 8.370 nan 0.000 0.467 62 H N -0.346 118.787 119.070 0.105 0.000 2.546 62 H HA 0.048 4.596 4.556 -0.013 0.000 0.277 62 H C 2.092 177.462 175.328 0.070 0.000 1.004 62 H CA 0.365 56.460 56.048 0.079 0.000 1.231 62 H CB 0.347 30.149 29.762 0.066 0.000 1.382 62 H HN 0.213 nan 8.280 nan 0.000 0.580 63 L N 0.498 121.829 121.223 0.181 0.000 2.270 63 L HA -0.088 4.244 4.340 -0.014 0.000 0.210 63 L C 2.734 179.717 176.870 0.188 0.000 1.104 63 L CA 0.319 55.238 54.840 0.132 0.000 0.804 63 L CB -0.120 41.986 42.059 0.080 0.000 0.937 63 L HN 0.108 nan 8.230 nan 0.000 0.450 64 V N -2.276 117.757 119.914 0.198 0.000 2.295 64 V HA -0.087 4.025 4.120 -0.014 0.000 0.246 64 V C 2.323 178.517 176.094 0.167 0.000 1.049 64 V CA 1.940 64.381 62.300 0.235 0.000 1.024 64 V CB -1.652 30.264 31.823 0.155 0.000 0.648 64 V HN 0.335 nan 8.190 nan 0.000 0.447 65 G N 0.336 109.194 108.800 0.096 0.000 2.446 65 G HA2 -0.254 3.698 3.960 -0.014 0.000 0.217 65 G HA3 -0.254 3.698 3.960 -0.014 0.000 0.217 65 G C 1.756 176.698 174.900 0.070 0.000 1.168 65 G CA 1.059 46.194 45.100 0.058 0.000 0.771 65 G HN 0.549 nan 8.290 nan 0.000 0.551 66 R N -1.424 119.127 120.500 0.084 0.000 2.096 66 R HA -0.094 4.237 4.340 -0.014 0.000 0.235 66 R C 2.274 178.652 176.300 0.131 0.000 1.127 66 R CA 1.267 57.407 56.100 0.067 0.000 0.968 66 R CB -0.366 29.958 30.300 0.040 0.000 0.861 66 R HN 0.492 nan 8.270 nan 0.000 0.440 67 W N 1.496 122.773 121.300 -0.038 0.000 2.379 67 W HA -0.051 4.601 4.660 -0.013 0.000 0.307 67 W C 1.730 178.218 176.519 -0.051 0.000 1.200 67 W CA 0.864 58.183 57.345 -0.043 0.000 1.297 67 W CB -0.606 28.845 29.460 -0.014 0.000 1.140 67 W HN -0.038 nan 8.180 nan 0.000 0.507 68 I N 1.061 121.684 120.570 0.087 0.000 2.226 68 I HA -0.350 3.812 4.170 -0.014 0.000 0.245 68 I C 2.705 178.809 176.117 -0.022 0.000 1.100 68 I CA 2.079 63.350 61.300 -0.048 0.000 1.374 68 I CB -0.610 37.363 38.000 -0.046 0.000 1.057 68 I HN -0.017 nan 8.210 nan 0.000 0.413 69 R N 0.278 120.779 120.500 0.003 0.000 2.148 69 R HA -0.048 4.284 4.340 -0.014 0.000 0.223 69 R C 1.929 178.198 176.300 -0.052 0.000 1.088 69 R CA 1.490 57.582 56.100 -0.014 0.000 0.985 69 R CB -1.127 29.165 30.300 -0.014 0.000 0.880 69 R HN 0.168 nan 8.270 nan 0.000 0.451 70 T N 1.726 116.229 114.554 -0.086 0.000 2.674 70 T HA -0.116 4.226 4.350 -0.014 0.000 0.265 70 T C 1.832 176.270 174.700 -0.437 0.000 1.039 70 T CA 1.457 63.397 62.100 -0.267 0.000 1.150 70 T CB -0.140 68.605 68.868 -0.205 0.000 0.864 70 T HN 0.261 nan 8.240 nan 0.000 0.427 71 Q N 0.953 120.636 119.800 -0.195 0.000 2.124 71 Q HA -0.074 4.258 4.340 -0.014 0.000 0.202 71 Q C 2.323 178.338 176.000 0.024 0.000 0.977 71 Q CA 1.242 57.001 55.803 -0.073 0.000 0.850 71 Q CB -0.456 28.282 28.738 0.001 0.000 0.901 71 Q HN 0.611 nan 8.270 nan 0.000 0.429 72 Q N -0.362 119.447 119.800 0.015 0.000 2.061 72 Q HA -0.226 4.106 4.340 -0.014 0.000 0.204 72 Q C 2.047 178.142 176.000 0.157 0.000 0.984 72 Q CA 1.704 57.565 55.803 0.096 0.000 0.846 72 Q CB -0.113 28.661 28.738 0.060 0.000 0.902 72 Q HN 0.508 nan 8.270 nan 0.000 0.421 73 H N -0.919 118.132 119.070 -0.031 0.000 2.319 73 H HA -0.195 4.353 4.556 -0.014 0.000 0.299 73 H C 1.409 176.806 175.328 0.116 0.000 1.092 73 H CA 2.169 58.211 56.048 -0.011 0.000 1.302 73 H CB -0.192 29.505 29.762 -0.108 0.000 1.373 73 H HN 0.309 nan 8.280 nan 0.000 0.497 74 Y N -0.808 119.527 120.300 0.058 0.000 2.165 74 Y HA -0.227 4.315 4.550 -0.014 0.000 0.286 74 Y C 2.521 178.444 175.900 0.039 0.000 1.155 74 Y CA 1.194 59.299 58.100 0.008 0.000 1.164 74 Y CB -1.491 37.036 38.460 0.112 0.000 0.978 74 Y HN 0.380 nan 8.280 nan 0.000 0.513 75 Y N 1.288 121.674 120.300 0.142 0.000 2.181 75 Y HA -0.180 4.362 4.550 -0.014 0.000 0.288 75 Y C 2.069 177.983 175.900 0.022 0.000 1.146 75 Y CA 1.791 59.938 58.100 0.078 0.000 1.164 75 Y CB -0.113 38.386 38.460 0.065 0.000 0.982 75 Y HN 0.074 nan 8.280 nan 0.000 0.515 76 E N 0.201 120.360 120.200 -0.069 0.000 2.076 76 E HA -0.124 4.218 4.350 -0.014 0.000 0.190 76 E C 1.946 178.441 176.600 -0.174 0.000 0.979 76 E CA 1.016 57.319 56.400 -0.163 0.000 0.807 76 E CB -0.158 29.527 29.700 -0.025 0.000 0.761 76 E HN 0.514 nan 8.360 nan 0.000 0.454 77 K N 0.638 120.927 120.400 -0.185 0.000 2.305 77 K HA -0.058 4.253 4.320 -0.014 0.000 0.199 77 K C -0.033 176.493 176.600 -0.122 0.000 1.047 77 K CA 0.306 56.485 56.287 -0.179 0.000 0.976 77 K CB 0.107 32.424 32.500 -0.306 0.000 0.765 77 K HN -0.047 nan 8.250 nan 0.000 0.474 78 D N 1.116 121.454 120.400 -0.102 0.000 2.697 78 D HA -0.100 4.532 4.640 -0.014 0.000 0.235 78 D C -2.419 173.847 176.300 -0.057 0.000 1.167 78 D CA 0.123 54.080 54.000 -0.073 0.000 0.656 78 D CB -0.151 40.584 40.800 -0.108 0.000 1.025 78 D HN 0.181 nan 8.370 nan 0.000 0.419 79 P HA 0.074 nan 4.420 nan 0.000 0.274 79 P C -0.051 177.203 177.300 -0.077 0.000 1.256 79 P CA -0.501 62.556 63.100 -0.071 0.000 0.795 79 P CB 0.592 32.233 31.700 -0.098 0.000 1.038 80 K N 1.129 121.488 120.400 -0.068 0.000 2.451 80 K HA 0.031 4.343 4.320 -0.014 0.000 0.280 80 K C 0.081 176.592 176.600 -0.147 0.000 1.020 80 K CA 0.138 56.378 56.287 -0.078 0.000 1.008 80 K CB 0.194 32.666 32.500 -0.048 0.000 0.917 80 K HN 0.306 nan 8.250 nan 0.000 0.478 81 R N 3.918 124.316 120.500 -0.170 0.000 2.474 81 R HA 0.366 4.698 4.340 -0.014 0.000 0.295 81 R C -0.453 175.569 176.300 -0.462 0.000 0.980 81 R CA -0.843 55.075 56.100 -0.304 0.000 0.934 81 R CB 0.976 31.112 30.300 -0.273 0.000 1.101 81 R HN 0.485 nan 8.270 nan 0.000 0.469 82 I N 3.684 123.922 120.570 -0.554 0.000 2.354 82 I HA 0.232 4.393 4.170 -0.014 0.000 0.292 82 I C -0.696 175.101 176.117 -0.534 0.000 0.989 82 I CA -0.814 60.116 61.300 -0.616 0.000 1.188 82 I CB 0.946 38.456 38.000 -0.817 0.000 1.342 82 I HN 0.530 nan 8.210 nan 0.000 0.457 83 Y N 5.758 126.017 120.300 -0.068 0.000 2.345 83 Y HA 0.293 4.835 4.550 -0.013 0.000 0.331 83 Y C -0.316 175.684 175.900 0.167 0.000 0.959 83 Y CA -0.728 57.453 58.100 0.136 0.000 1.204 83 Y CB 1.187 39.677 38.460 0.050 0.000 1.135 83 Y HN 0.401 nan 8.280 nan 0.000 0.477 84 Y N 4.556 125.037 120.300 0.301 0.000 2.454 84 Y HA 0.472 5.014 4.550 -0.013 0.000 0.345 84 Y C -1.197 174.973 175.900 0.450 0.000 0.970 84 Y CA -0.886 57.405 58.100 0.318 0.000 1.204 84 Y CB 0.280 38.931 38.460 0.318 0.000 1.122 84 Y HN 0.516 nan 8.280 nan 0.000 0.514 85 L N 5.049 126.332 121.223 0.100 0.000 2.265 85 L HA 0.464 4.795 4.340 -0.014 0.000 0.288 85 L C -0.187 176.719 176.870 0.059 0.000 1.058 85 L CA 0.181 55.137 54.840 0.194 0.000 0.809 85 L CB 1.302 43.437 42.059 0.125 0.000 1.179 85 L HN 0.568 nan 8.230 nan 0.000 0.429 86 S N 2.394 118.217 115.700 0.205 0.000 2.541 86 S HA 0.507 4.969 4.470 -0.014 0.000 0.271 86 S C 0.303 175.012 174.600 0.183 0.000 1.133 86 S CA -0.520 57.696 58.200 0.028 0.000 0.876 86 S CB 1.065 64.034 63.200 -0.384 0.000 1.105 86 S HN 0.475 nan 8.310 nan 0.000 0.470 87 L N 2.733 124.092 121.223 0.228 0.000 2.599 87 L HA 0.420 4.752 4.340 -0.014 0.000 0.230 87 L C 0.303 177.376 176.870 0.338 0.000 1.141 87 L CA 0.984 56.019 54.840 0.325 0.000 0.877 87 L CB -0.090 42.168 42.059 0.332 0.000 1.009 87 L HN 0.632 nan 8.230 nan 0.000 0.447 88 E N -1.144 119.128 120.200 0.119 0.000 2.263 88 E HA 0.383 4.725 4.350 -0.014 0.000 0.268 88 E C -1.389 175.100 176.600 -0.185 0.000 0.884 88 E CA -0.393 56.055 56.400 0.081 0.000 0.766 88 E CB 1.763 31.482 29.700 0.032 0.000 1.196 88 E HN -0.156 nan 8.360 nan 0.000 0.416 89 F N 2.316 122.378 119.950 0.187 0.000 2.610 89 F HA 0.191 4.709 4.527 -0.014 0.000 0.355 89 F C -0.811 175.078 175.800 0.150 0.000 1.140 89 F CA -0.780 57.318 58.000 0.162 0.000 1.037 89 F CB 0.999 40.085 39.000 0.144 0.000 1.287 89 F HN 0.483 nan 8.300 nan 0.000 0.457 90 Y N 5.380 125.756 120.300 0.126 0.000 2.714 90 Y HA 0.244 4.786 4.550 -0.013 0.000 0.333 90 Y C 0.824 176.741 175.900 0.029 0.000 1.220 90 Y CA -1.127 56.996 58.100 0.039 0.000 1.513 90 Y CB 0.391 38.858 38.460 0.011 0.000 1.435 90 Y HN 0.552 nan 8.280 nan 0.000 0.489 91 M N 1.526 121.246 119.600 0.199 0.000 2.334 91 M HA 0.135 4.607 4.480 -0.014 0.000 0.266 91 M C 1.562 177.831 176.300 -0.051 0.000 1.082 91 M CA 1.032 56.361 55.300 0.049 0.000 1.141 91 M CB -1.176 31.432 32.600 0.013 0.000 1.380 91 M HN 0.692 nan 8.290 nan 0.000 0.440 92 G N 1.335 110.114 108.800 -0.035 0.000 2.569 92 G HA2 -0.279 3.673 3.960 -0.014 0.000 0.259 92 G HA3 -0.279 3.673 3.960 -0.014 0.000 0.259 92 G C -0.221 174.631 174.900 -0.080 0.000 1.263 92 G CA -0.265 44.779 45.100 -0.092 0.000 0.928 92 G HN 0.442 nan 8.290 nan 0.000 0.572 93 R N -0.698 119.739 120.500 -0.106 0.000 2.582 93 R HA 0.555 4.887 4.340 -0.014 0.000 0.271 93 R C 1.118 177.298 176.300 -0.200 0.000 1.078 93 R CA 0.328 56.375 56.100 -0.089 0.000 1.127 93 R CB 0.665 30.924 30.300 -0.068 0.000 1.038 93 R HN 0.522 nan 8.270 nan 0.000 0.500 94 T N 1.117 115.492 114.554 -0.299 0.000 2.978 94 T HA -0.009 4.332 4.350 -0.014 0.000 0.248 94 T C 1.442 175.732 174.700 -0.683 0.000 1.018 94 T CA -0.122 61.578 62.100 -0.666 0.000 1.026 94 T CB 0.124 68.222 68.868 -1.284 0.000 1.032 94 T HN 0.307 nan 8.240 nan 0.000 0.485 95 L N 1.975 123.018 121.223 -0.300 0.000 1.970 95 L HA -0.046 4.286 4.340 -0.014 0.000 0.212 95 L C 2.459 179.289 176.870 -0.066 0.000 1.071 95 L CA 2.018 56.853 54.840 -0.008 0.000 0.751 95 L CB -0.749 41.537 42.059 0.378 0.000 0.889 95 L HN 0.187 nan 8.230 nan 0.000 0.432 96 Q N -0.770 118.994 119.800 -0.060 0.000 2.084 96 Q HA -0.255 4.076 4.340 -0.014 0.000 0.202 96 Q C 2.247 178.174 176.000 -0.122 0.000 0.978 96 Q CA 1.882 57.643 55.803 -0.069 0.000 0.844 96 Q CB -0.312 28.383 28.738 -0.072 0.000 0.898 96 Q HN 0.693 nan 8.270 nan 0.000 0.426 97 N N -0.988 117.598 118.700 -0.190 0.000 2.104 97 N HA -0.159 4.573 4.740 -0.014 0.000 0.190 97 N C 1.402 176.803 175.510 -0.182 0.000 1.024 97 N CA 1.869 54.798 53.050 -0.203 0.000 0.853 97 N CB 0.034 38.367 38.487 -0.258 0.000 1.008 97 N HN 0.231 nan 8.380 nan 0.000 0.424 98 T N 1.318 115.729 114.554 -0.239 0.000 2.777 98 T HA -0.067 4.275 4.350 -0.014 0.000 0.266 98 T C 2.076 176.715 174.700 -0.101 0.000 1.040 98 T CA 1.094 63.077 62.100 -0.195 0.000 1.141 98 T CB -0.087 68.627 68.868 -0.256 0.000 0.868 98 T HN 0.268 nan 8.240 nan 0.000 0.444 99 M N 0.591 120.148 119.600 -0.072 0.000 2.117 99 M HA -0.101 4.371 4.480 -0.014 0.000 0.262 99 M C 2.476 178.743 176.300 -0.055 0.000 1.065 99 M CA 1.294 56.566 55.300 -0.047 0.000 1.114 99 M CB -0.661 31.927 32.600 -0.019 0.000 1.361 99 M HN 0.103 nan 8.290 nan 0.000 0.408 100 V N 0.920 120.806 119.914 -0.047 0.000 2.287 100 V HA -0.279 3.833 4.120 -0.014 0.000 0.248 100 V C 1.748 177.846 176.094 0.006 0.000 1.053 100 V CA 2.013 64.311 62.300 -0.003 0.000 1.027 100 V CB -0.887 30.939 31.823 0.004 0.000 0.646 100 V HN 0.476 nan 8.190 nan 0.000 0.447 101 N N -0.365 118.325 118.700 -0.017 0.000 2.459 101 N HA -0.033 4.699 4.740 -0.014 0.000 0.181 101 N C 1.040 176.451 175.510 -0.166 0.000 1.046 101 N CA 0.658 53.677 53.050 -0.050 0.000 0.904 101 N CB -0.093 38.378 38.487 -0.027 0.000 0.964 101 N HN 0.282 nan 8.380 nan 0.000 0.444 102 L N -0.204 120.941 121.223 -0.131 0.000 2.640 102 L HA 0.407 4.739 4.340 -0.014 0.000 0.230 102 L C 0.594 177.378 176.870 -0.144 0.000 1.123 102 L CA -0.305 54.458 54.840 -0.130 0.000 0.900 102 L CB -0.839 41.168 42.059 -0.086 0.000 1.146 102 L HN 0.095 nan 8.230 nan 0.000 0.484 103 A N -0.505 122.224 122.820 -0.152 0.000 2.822 103 A HA -0.216 4.095 4.320 -0.014 0.000 0.287 103 A C 1.080 178.605 177.584 -0.098 0.000 1.479 103 A CA 0.921 52.883 52.037 -0.125 0.000 0.779 103 A CB -1.896 17.017 19.000 -0.145 0.000 1.022 103 A HN 0.207 nan 8.150 nan 0.000 0.532 104 L N -0.779 120.387 121.223 -0.095 0.000 2.693 104 L HA 0.240 4.572 4.340 -0.014 0.000 0.235 104 L C 1.836 178.672 176.870 -0.057 0.000 1.127 104 L CA 1.499 56.279 54.840 -0.099 0.000 0.914 104 L CB -0.405 41.567 42.059 -0.144 0.000 1.193 104 L HN 0.643 nan 8.230 nan 0.000 0.502 105 E N -0.169 120.007 120.200 -0.041 0.000 2.051 105 E HA -0.222 4.120 4.350 -0.014 0.000 0.192 105 E C 1.545 178.134 176.600 -0.017 0.000 0.991 105 E CA 1.230 57.617 56.400 -0.021 0.000 0.799 105 E CB 0.316 30.005 29.700 -0.017 0.000 0.748 105 E HN 0.401 nan 8.360 nan 0.000 0.449 106 N N 0.168 118.855 118.700 -0.022 0.000 2.142 106 N HA -0.124 4.608 4.740 -0.014 0.000 0.186 106 N C 1.591 177.090 175.510 -0.017 0.000 1.023 106 N CA 1.247 54.284 53.050 -0.021 0.000 0.852 106 N CB -0.401 38.073 38.487 -0.022 0.000 0.998 106 N HN 0.195 nan 8.380 nan 0.000 0.424 107 A N 0.373 123.180 122.820 -0.022 0.000 1.908 107 A HA -0.163 4.149 4.320 -0.014 0.000 0.218 107 A C 2.671 180.252 177.584 -0.006 0.000 1.181 107 A CA 1.442 53.469 52.037 -0.016 0.000 0.627 107 A CB -1.031 17.950 19.000 -0.031 0.000 0.818 107 A HN 0.450 nan 8.150 nan 0.000 0.445 108 C N -0.991 118.306 119.300 -0.005 0.000 2.440 108 C HA -0.059 4.392 4.460 -0.014 0.000 0.278 108 C C 2.480 177.476 174.990 0.010 0.000 1.295 108 C CA 1.016 60.042 59.018 0.014 0.000 1.738 108 C CB -1.081 26.679 27.740 0.034 0.000 1.987 108 C HN 0.669 nan 8.230 nan 0.000 0.492 109 D N 0.692 121.097 120.400 0.008 0.000 2.104 109 D HA -0.150 4.481 4.640 -0.014 0.000 0.194 109 D C 2.122 178.440 176.300 0.030 0.000 0.994 109 D CA 1.557 55.563 54.000 0.010 0.000 0.830 109 D CB -0.270 40.524 40.800 -0.010 0.000 0.959 109 D HN 0.468 nan 8.370 nan 0.000 0.452 110 E N 0.350 120.565 120.200 0.024 0.000 2.051 110 E HA -0.076 4.265 4.350 -0.014 0.000 0.192 110 E C 1.886 178.526 176.600 0.067 0.000 0.991 110 E CA 1.650 58.089 56.400 0.064 0.000 0.799 110 E CB -0.561 29.160 29.700 0.035 0.000 0.748 110 E HN 0.208 nan 8.360 nan 0.000 0.449 111 A N -0.143 122.684 122.820 0.010 0.000 1.883 111 A HA -0.218 4.093 4.320 -0.014 0.000 0.217 111 A C 2.495 180.002 177.584 -0.127 0.000 1.186 111 A CA 2.899 54.912 52.037 -0.040 0.000 0.624 111 A CB -1.442 17.542 19.000 -0.027 0.000 0.822 111 A HN 0.524 nan 8.150 nan 0.000 0.444 112 T N -3.707 110.766 114.554 -0.134 0.000 2.857 112 T HA -0.199 4.142 4.350 -0.014 0.000 0.266 112 T C 1.862 176.480 174.700 -0.137 0.000 1.048 112 T CA 1.476 63.436 62.100 -0.234 0.000 1.139 112 T CB -0.616 68.152 68.868 -0.167 0.000 0.874 112 T HN 0.452 nan 8.240 nan 0.000 0.455 113 Y N 2.291 122.510 120.300 -0.134 0.000 2.128 113 Y HA -0.147 4.396 4.550 -0.013 0.000 0.284 113 Y C 2.622 178.461 175.900 -0.102 0.000 1.154 113 Y CA 1.679 59.719 58.100 -0.099 0.000 1.149 113 Y CB -0.650 37.771 38.460 -0.064 0.000 0.976 113 Y HN 0.254 nan 8.280 nan 0.000 0.505 114 Q N -0.980 118.697 119.800 -0.206 0.000 2.291 114 Q HA -0.133 4.199 4.340 -0.014 0.000 0.206 114 Q C 1.504 177.353 176.000 -0.251 0.000 0.976 114 Q CA 0.946 56.594 55.803 -0.258 0.000 0.875 114 Q CB -0.089 28.589 28.738 -0.099 0.000 0.927 114 Q HN 0.355 nan 8.270 nan 0.000 0.450 115 L N -1.031 120.037 121.223 -0.257 0.000 2.591 115 L HA 0.152 4.484 4.340 -0.014 0.000 0.228 115 L C 1.091 177.798 176.870 -0.272 0.000 1.133 115 L CA 1.172 55.853 54.840 -0.266 0.000 0.880 115 L CB -0.269 41.556 42.059 -0.389 0.000 1.033 115 L HN 0.304 nan 8.230 nan 0.000 0.450 116 G N -0.108 108.517 108.800 -0.291 0.000 2.149 116 G HA2 -0.239 3.713 3.960 -0.014 0.000 0.235 116 G HA3 -0.239 3.713 3.960 -0.014 0.000 0.235 116 G C 0.027 174.804 174.900 -0.205 0.000 1.018 116 G CA 0.219 45.169 45.100 -0.249 0.000 0.728 116 G HN 0.272 nan 8.290 nan 0.000 0.508 117 L N -0.243 120.857 121.223 -0.205 0.000 2.370 117 L HA 0.603 4.934 4.340 -0.014 0.000 0.266 117 L C -0.639 176.204 176.870 -0.046 0.000 1.002 117 L CA -1.179 53.562 54.840 -0.166 0.000 0.818 117 L CB 1.980 43.866 42.059 -0.288 0.000 1.325 117 L HN 0.106 nan 8.230 nan 0.000 0.418 118 D N 2.043 122.443 120.400 -0.000 0.000 2.317 118 D HA 0.193 4.824 4.640 -0.014 0.000 0.234 118 D C 0.629 176.957 176.300 0.046 0.000 1.112 118 D CA -0.222 53.804 54.000 0.043 0.000 0.840 118 D CB 1.522 42.352 40.800 0.050 0.000 1.078 118 D HN 0.498 nan 8.370 nan 0.000 0.486 119 M N 3.087 122.716 119.600 0.048 0.000 2.159 119 M HA -0.129 4.343 4.480 -0.014 0.000 0.263 119 M C 1.286 177.630 176.300 0.074 0.000 1.063 119 M CA 1.485 56.824 55.300 0.065 0.000 1.110 119 M CB 0.198 32.830 32.600 0.053 0.000 1.374 119 M HN 0.448 nan 8.290 nan 0.000 0.411 120 E N -0.202 120.031 120.200 0.055 0.000 2.110 120 E HA -0.252 4.090 4.350 -0.014 0.000 0.193 120 E C 1.847 178.481 176.600 0.058 0.000 0.988 120 E CA 1.340 57.770 56.400 0.051 0.000 0.804 120 E CB -0.187 29.538 29.700 0.042 0.000 0.745 120 E HN 0.638 nan 8.360 nan 0.000 0.458 121 E N 0.551 120.788 120.200 0.062 0.000 2.072 121 E HA -0.199 4.143 4.350 -0.014 0.000 0.191 121 E C 1.990 178.632 176.600 0.069 0.000 0.985 121 E CA 0.608 57.045 56.400 0.062 0.000 0.801 121 E CB 0.159 29.897 29.700 0.062 0.000 0.750 121 E HN 0.072 nan 8.360 nan 0.000 0.452 122 L N 1.525 122.811 121.223 0.105 0.000 2.046 122 L HA -0.166 4.165 4.340 -0.014 0.000 0.208 122 L C 2.113 179.057 176.870 0.124 0.000 1.077 122 L CA 1.679 56.616 54.840 0.161 0.000 0.747 122 L CB -0.785 41.418 42.059 0.239 0.000 0.896 122 L HN 0.157 nan 8.230 nan 0.000 0.432 123 E N -0.739 119.523 120.200 0.104 0.000 2.118 123 E HA -0.212 4.130 4.350 -0.014 0.000 0.195 123 E C 1.883 178.459 176.600 -0.039 0.000 0.992 123 E CA 0.936 57.374 56.400 0.063 0.000 0.804 123 E CB 0.003 29.738 29.700 0.057 0.000 0.741 123 E HN 0.411 nan 8.360 nan 0.000 0.458 124 E N 0.256 120.441 120.200 -0.024 0.000 2.338 124 E HA -0.122 4.220 4.350 -0.014 0.000 0.197 124 E C 1.890 178.428 176.600 -0.105 0.000 1.007 124 E CA 0.557 56.938 56.400 -0.031 0.000 0.849 124 E CB 0.015 29.730 29.700 0.025 0.000 0.774 124 E HN 0.428 nan 8.360 nan 0.000 0.506 125 I N 0.776 121.220 120.570 -0.211 0.000 2.500 125 I HA -0.115 4.047 4.170 -0.014 0.000 0.252 125 I C 1.400 177.201 176.117 -0.526 0.000 1.142 125 I CA 0.254 61.348 61.300 -0.343 0.000 1.451 125 I CB 0.020 37.805 38.000 -0.358 0.000 1.093 125 I HN -0.014 nan 8.210 nan 0.000 0.430 126 E N 2.827 122.612 120.200 -0.691 0.000 2.415 126 E HA -0.042 4.300 4.350 -0.014 0.000 0.263 126 E C -0.239 176.281 176.600 -0.133 0.000 0.995 126 E CA -0.237 55.835 56.400 -0.546 0.000 0.915 126 E CB 0.615 30.135 29.700 -0.301 0.000 0.951 126 E HN 0.104 nan 8.360 nan 0.000 0.449 127 E N 3.546 123.764 120.200 0.030 0.000 2.373 127 E HA 0.049 4.390 4.350 -0.014 0.000 0.267 127 E C -0.696 176.008 176.600 0.174 0.000 1.032 127 E CA -0.186 56.311 56.400 0.162 0.000 0.889 127 E CB 0.580 30.473 29.700 0.322 0.000 0.984 127 E HN 0.469 nan 8.360 nan 0.000 0.425 128 D N 0.830 121.298 120.400 0.114 0.000 2.443 128 D HA 0.143 4.774 4.640 -0.014 0.000 0.239 128 D C -0.251 176.066 176.300 0.029 0.000 1.136 128 D CA 0.174 54.211 54.000 0.061 0.000 0.879 128 D CB 0.539 41.357 40.800 0.031 0.000 1.195 128 D HN 0.396 nan 8.370 nan 0.000 0.443 129 A N 2.210 124.989 122.820 -0.068 0.000 2.671 129 A HA 0.471 4.783 4.320 -0.014 0.000 0.306 129 A C 1.028 178.429 177.584 -0.305 0.000 1.473 129 A CA -0.381 51.389 52.037 -0.446 0.000 1.155 129 A CB -0.300 18.518 19.000 -0.304 0.000 1.123 129 A HN 0.530 nan 8.150 nan 0.000 0.545 130 G N 2.157 110.728 108.800 -0.382 0.000 3.741 130 G HA2 0.416 4.368 3.960 -0.014 0.000 0.263 130 G HA3 0.416 4.368 3.960 -0.014 0.000 0.263 130 G C 0.299 174.990 174.900 -0.347 0.000 1.175 130 G CA -0.304 44.684 45.100 -0.187 0.000 1.642 130 G HN 0.694 nan 8.290 nan 0.000 0.644 131 L N 1.305 122.376 121.223 -0.253 0.000 2.862 131 L HA 0.395 4.727 4.340 -0.014 0.000 0.240 131 L C 1.030 177.834 176.870 -0.111 0.000 1.283 131 L CA -0.204 54.580 54.840 -0.094 0.000 1.117 131 L CB -0.357 41.768 42.059 0.111 0.000 1.444 131 L HN 0.326 nan 8.230 nan 0.000 0.456 132 G N -1.256 107.247 108.800 -0.495 0.000 2.623 132 G HA2 0.176 4.128 3.960 -0.014 0.000 0.290 132 G HA3 0.176 4.128 3.960 -0.014 0.000 0.290 132 G C -0.182 174.215 174.900 -0.839 0.000 1.437 132 G CA -0.463 44.317 45.100 -0.533 0.000 0.798 132 G HN -0.086 nan 8.290 nan 0.000 0.488 133 N N -0.827 117.632 118.700 -0.401 0.000 2.439 133 N HA 0.222 4.954 4.740 -0.014 0.000 0.176 133 N C 1.145 176.660 175.510 0.007 0.000 1.029 133 N CA 1.327 54.250 53.050 -0.211 0.000 0.886 133 N CB 1.266 39.745 38.487 -0.014 0.000 1.057 133 N HN 0.873 nan 8.380 nan 0.000 0.437 134 G N -0.650 108.255 108.800 0.176 0.000 2.649 134 G HA2 0.151 4.103 3.960 -0.014 0.000 0.078 134 G HA3 0.151 4.103 3.960 -0.014 0.000 0.078 134 G C 0.709 175.760 174.900 0.251 0.000 1.110 134 G CA 0.206 45.507 45.100 0.336 0.000 1.269 134 G HN 0.152 nan 8.290 nan 0.000 0.581 135 G N 0.414 109.294 108.800 0.134 0.000 2.446 135 G HA2 -0.050 3.902 3.960 -0.014 0.000 0.217 135 G HA3 -0.050 3.902 3.960 -0.014 0.000 0.217 135 G C 1.900 176.804 174.900 0.008 0.000 1.168 135 G CA 1.563 46.699 45.100 0.059 0.000 0.771 135 G HN 0.867 nan 8.290 nan 0.000 0.551 136 L N 0.607 121.806 121.223 -0.040 0.000 2.046 136 L HA 0.108 4.440 4.340 -0.014 0.000 0.208 136 L C 2.805 179.605 176.870 -0.117 0.000 1.077 136 L CA 1.976 56.693 54.840 -0.205 0.000 0.747 136 L CB -0.553 41.317 42.059 -0.315 0.000 0.896 136 L HN 0.228 nan 8.230 nan 0.000 0.432 137 G N -0.647 108.153 108.800 -0.001 0.000 2.408 137 G HA2 -0.264 3.688 3.960 -0.014 0.000 0.217 137 G HA3 -0.264 3.688 3.960 -0.014 0.000 0.217 137 G C 1.685 176.667 174.900 0.137 0.000 1.150 137 G CA 0.424 45.554 45.100 0.050 0.000 0.776 137 G HN 0.215 nan 8.290 nan 0.000 0.542 138 R N 0.263 120.872 120.500 0.182 0.000 2.115 138 R HA 0.106 4.438 4.340 -0.014 0.000 0.230 138 R C 2.399 178.702 176.300 0.005 0.000 1.111 138 R CA 0.746 56.909 56.100 0.105 0.000 0.976 138 R CB -1.081 29.235 30.300 0.027 0.000 0.870 138 R HN 0.375 nan 8.270 nan 0.000 0.445 139 L N 0.625 121.786 121.223 -0.104 0.000 2.017 139 L HA -0.064 4.268 4.340 -0.014 0.000 0.208 139 L C 2.189 178.757 176.870 -0.503 0.000 1.073 139 L CA 2.235 56.867 54.840 -0.347 0.000 0.745 139 L CB -0.847 40.981 42.059 -0.385 0.000 0.894 139 L HN 0.209 nan 8.230 nan 0.000 0.432 140 A N -0.562 122.098 122.820 -0.266 0.000 1.908 140 A HA -0.204 4.107 4.320 -0.014 0.000 0.218 140 A C 2.442 180.070 177.584 0.074 0.000 1.181 140 A CA 2.095 54.039 52.037 -0.155 0.000 0.627 140 A CB -1.211 17.643 19.000 -0.243 0.000 0.818 140 A HN 0.590 nan 8.150 nan 0.000 0.445 141 A N -1.073 121.830 122.820 0.139 0.000 1.873 141 A HA -0.152 4.159 4.320 -0.014 0.000 0.215 141 A C 2.322 179.979 177.584 0.121 0.000 1.186 141 A CA 1.630 53.776 52.037 0.182 0.000 0.616 141 A CB -1.313 17.782 19.000 0.158 0.000 0.823 141 A HN 0.613 nan 8.150 nan 0.000 0.442 142 C N -1.377 117.991 119.300 0.113 0.000 2.413 142 C HA -0.095 4.357 4.460 -0.014 0.000 0.277 142 C C 2.434 177.583 174.990 0.266 0.000 1.265 142 C CA 0.687 59.812 59.018 0.178 0.000 1.752 142 C CB -1.662 26.205 27.740 0.211 0.000 1.998 142 C HN 0.599 nan 8.230 nan 0.000 0.489 143 F N 1.110 121.042 119.950 -0.030 0.000 2.134 143 F HA -0.066 4.452 4.527 -0.014 0.000 0.299 143 F C 2.256 177.997 175.800 -0.098 0.000 1.097 143 F CA 0.998 58.928 58.000 -0.118 0.000 1.264 143 F CB -1.363 37.422 39.000 -0.358 0.000 1.001 143 F HN 0.198 nan 8.300 nan 0.000 0.479 144 L N -0.421 120.880 121.223 0.129 0.000 2.046 144 L HA -0.249 4.083 4.340 -0.014 0.000 0.208 144 L C 2.149 179.031 176.870 0.020 0.000 1.077 144 L CA 1.930 56.800 54.840 0.050 0.000 0.747 144 L CB -0.763 41.326 42.059 0.050 0.000 0.896 144 L HN 0.105 nan 8.230 nan 0.000 0.432 145 D N -0.462 119.959 120.400 0.036 0.000 2.097 145 D HA -0.175 4.457 4.640 -0.014 0.000 0.195 145 D C 2.207 178.524 176.300 0.027 0.000 0.989 145 D CA 1.506 55.513 54.000 0.011 0.000 0.827 145 D CB 0.207 41.011 40.800 0.007 0.000 0.966 145 D HN 0.076 nan 8.370 nan 0.000 0.456 146 S N -0.727 115.007 115.700 0.056 0.000 2.383 146 S HA -0.102 4.359 4.470 -0.014 0.000 0.227 146 S C 1.993 176.607 174.600 0.023 0.000 1.026 146 S CA 0.846 59.071 58.200 0.043 0.000 0.981 146 S CB -0.210 63.022 63.200 0.054 0.000 0.818 146 S HN 0.346 nan 8.310 nan 0.000 0.472 147 M N 0.949 120.556 119.600 0.012 0.000 2.159 147 M HA -0.086 4.385 4.480 -0.014 0.000 0.263 147 M C 2.476 178.777 176.300 0.002 0.000 1.063 147 M CA 1.384 56.687 55.300 0.005 0.000 1.110 147 M CB -0.537 32.048 32.600 -0.025 0.000 1.374 147 M HN 0.397 nan 8.290 nan 0.000 0.411 148 A N -0.096 122.721 122.820 -0.005 0.000 1.873 148 A HA -0.124 4.188 4.320 -0.014 0.000 0.215 148 A C 2.171 179.768 177.584 0.021 0.000 1.186 148 A CA 2.069 54.106 52.037 -0.000 0.000 0.616 148 A CB -1.114 17.867 19.000 -0.032 0.000 0.823 148 A HN 0.420 nan 8.150 nan 0.000 0.442 149 T N 0.335 114.907 114.554 0.030 0.000 2.833 149 T HA -0.036 4.305 4.350 -0.014 0.000 0.269 149 T C 1.327 176.056 174.700 0.048 0.000 1.054 149 T CA 1.225 63.356 62.100 0.052 0.000 1.135 149 T CB -0.288 68.618 68.868 0.064 0.000 0.869 149 T HN 0.336 nan 8.240 nan 0.000 0.466 150 L N 0.491 121.739 121.223 0.042 0.000 2.629 150 L HA 0.303 4.634 4.340 -0.014 0.000 0.230 150 L C 1.622 178.523 176.870 0.053 0.000 1.151 150 L CA -0.101 54.766 54.840 0.045 0.000 0.924 150 L CB -0.403 41.682 42.059 0.044 0.000 1.137 150 L HN 0.397 nan 8.230 nan 0.000 0.457 151 G N 1.044 109.879 108.800 0.058 0.000 2.249 151 G HA2 -0.290 3.662 3.960 -0.014 0.000 0.273 151 G HA3 -0.290 3.662 3.960 -0.014 0.000 0.273 151 G C 0.128 175.081 174.900 0.088 0.000 1.036 151 G CA 0.073 45.226 45.100 0.089 0.000 0.824 151 G HN 0.293 nan 8.290 nan 0.000 0.504 152 L N -0.161 121.082 121.223 0.033 0.000 2.350 152 L HA 0.601 4.933 4.340 -0.014 0.000 0.275 152 L C 1.243 177.997 176.870 -0.193 0.000 1.099 152 L CA -0.368 54.442 54.840 -0.049 0.000 0.808 152 L CB 1.552 43.593 42.059 -0.030 0.000 1.149 152 L HN 0.251 nan 8.230 nan 0.000 0.442 153 A N 3.095 125.650 122.820 -0.442 0.000 2.981 153 A HA 0.537 4.849 4.320 -0.014 0.000 0.280 153 A C 0.311 177.538 177.584 -0.595 0.000 1.743 153 A CA -0.106 51.367 52.037 -0.941 0.000 1.430 153 A CB -0.725 17.592 19.000 -1.138 0.000 1.085 153 A HN 0.696 nan 8.150 nan 0.000 0.597 154 A N 1.590 124.106 122.820 -0.506 0.000 2.350 154 A HA 0.792 5.104 4.320 -0.014 0.000 0.324 154 A C -1.033 176.275 177.584 -0.461 0.000 1.118 154 A CA -0.474 51.339 52.037 -0.374 0.000 0.783 154 A CB 0.826 19.681 19.000 -0.240 0.000 1.236 154 A HN 0.616 nan 8.150 nan 0.000 0.457 155 Y N 0.426 120.657 120.300 -0.115 0.000 2.361 155 Y HA 0.545 5.087 4.550 -0.013 0.000 0.337 155 Y C 0.850 176.836 175.900 0.144 0.000 0.965 155 Y CA -0.576 57.531 58.100 0.012 0.000 1.091 155 Y CB 2.423 40.979 38.460 0.161 0.000 1.182 155 Y HN 0.838 nan 8.280 nan 0.000 0.450 156 G N 2.087 110.970 108.800 0.137 0.000 2.338 156 G HA2 0.463 4.415 3.960 -0.014 0.000 0.298 156 G HA3 0.463 4.415 3.960 -0.014 0.000 0.298 156 G C -1.774 173.136 174.900 0.017 0.000 1.140 156 G CA -0.261 44.951 45.100 0.187 0.000 0.860 156 G HN 0.533 nan 8.290 nan 0.000 0.470 157 Y N 0.751 121.265 120.300 0.356 0.000 2.391 157 Y HA 0.633 5.175 4.550 -0.014 0.000 0.341 157 Y C 0.732 176.933 175.900 0.501 0.000 0.965 157 Y CA 0.205 58.491 58.100 0.310 0.000 1.067 157 Y CB 2.737 41.412 38.460 0.358 0.000 1.199 157 Y HN 0.904 nan 8.280 nan 0.000 0.450 158 G N 2.210 111.327 108.800 0.529 0.000 2.664 158 G HA2 0.577 4.529 3.960 -0.014 0.000 0.303 158 G HA3 0.577 4.529 3.960 -0.014 0.000 0.303 158 G C -1.831 173.303 174.900 0.390 0.000 1.243 158 G CA -0.815 44.621 45.100 0.561 0.000 0.826 158 G HN 0.429 nan 8.290 nan 0.000 0.498 159 I N 0.573 121.267 120.570 0.207 0.000 2.474 159 I HA 0.437 4.598 4.170 -0.014 0.000 0.294 159 I C 0.299 176.329 176.117 -0.146 0.000 1.005 159 I CA -0.718 60.588 61.300 0.011 0.000 1.113 159 I CB 2.244 40.046 38.000 -0.330 0.000 1.289 159 I HN 0.364 nan 8.210 nan 0.000 0.436 160 R N 6.128 126.643 120.500 0.025 0.000 2.608 160 R HA 0.225 4.557 4.340 -0.014 0.000 0.277 160 R C -1.232 175.128 176.300 0.100 0.000 1.341 160 R CA -0.426 55.722 56.100 0.080 0.000 1.199 160 R CB -0.062 30.260 30.300 0.036 0.000 1.156 160 R HN 0.395 nan 8.270 nan 0.000 0.558 161 Y N 1.434 121.903 120.300 0.281 0.000 2.511 161 Y HA -0.084 4.457 4.550 -0.014 0.000 0.332 161 Y C 1.582 177.670 175.900 0.314 0.000 1.177 161 Y CA 0.100 58.356 58.100 0.259 0.000 1.422 161 Y CB 0.803 39.394 38.460 0.218 0.000 1.271 161 Y HN 0.587 nan 8.280 nan 0.000 0.550 162 E N 2.103 122.487 120.200 0.307 0.000 2.152 162 E HA -0.053 4.289 4.350 -0.014 0.000 0.192 162 E C -0.741 175.719 176.600 -0.233 0.000 0.983 162 E CA 0.655 57.031 56.400 -0.041 0.000 0.818 162 E CB 0.182 29.777 29.700 -0.174 0.000 0.758 162 E HN 0.502 nan 8.360 nan 0.000 0.467 163 F N -0.215 119.950 119.950 0.359 0.000 2.477 163 F HA 0.450 4.969 4.527 -0.014 0.000 0.335 163 F C 0.770 176.671 175.800 0.168 0.000 1.130 163 F CA -0.840 57.332 58.000 0.286 0.000 0.948 163 F CB 1.878 40.972 39.000 0.157 0.000 1.154 163 F HN -0.101 nan 8.300 nan 0.000 0.439 164 G N 1.843 110.766 108.800 0.205 0.000 2.531 164 G HA2 0.354 4.306 3.960 -0.014 0.000 0.253 164 G HA3 0.354 4.306 3.960 -0.014 0.000 0.253 164 G C -0.525 174.343 174.900 -0.053 0.000 1.439 164 G CA -0.722 44.340 45.100 -0.063 0.000 1.056 164 G HN 0.541 nan 8.290 nan 0.000 0.555 165 I N 1.020 121.477 120.570 -0.188 0.000 2.752 165 I HA 0.159 4.321 4.170 -0.014 0.000 0.289 165 I C 0.575 176.600 176.117 -0.152 0.000 1.197 165 I CA -1.007 60.154 61.300 -0.232 0.000 1.432 165 I CB -0.414 37.349 38.000 -0.394 0.000 1.359 165 I HN 0.319 nan 8.210 nan 0.000 0.571 166 F N 6.335 126.298 119.950 0.022 0.000 2.595 166 F HA 0.223 4.741 4.527 -0.014 0.000 0.359 166 F C 0.592 176.442 175.800 0.084 0.000 1.147 166 F CA -0.605 57.430 58.000 0.058 0.000 1.341 166 F CB -0.353 38.668 39.000 0.035 0.000 1.104 166 F HN 0.425 nan 8.300 nan 0.000 0.603 167 N N 2.539 121.407 118.700 0.280 0.000 2.470 167 N HA 0.022 4.754 4.740 -0.014 0.000 0.268 167 N C -0.699 175.045 175.510 0.391 0.000 1.136 167 N CA -0.185 53.008 53.050 0.239 0.000 0.961 167 N CB 1.065 39.679 38.487 0.211 0.000 1.067 167 N HN 0.754 nan 8.380 nan 0.000 0.468 168 Q N 2.484 122.484 119.800 0.334 0.000 2.296 168 Q HA 0.164 4.495 4.340 -0.014 0.000 0.257 168 Q C -0.916 175.250 176.000 0.276 0.000 0.942 168 Q CA -0.364 55.672 55.803 0.388 0.000 0.939 168 Q CB 0.698 29.664 28.738 0.381 0.000 1.198 168 Q HN 0.243 nan 8.270 nan 0.000 0.429 169 K N 4.218 124.757 120.400 0.231 0.000 2.207 169 K HA 0.461 4.773 4.320 -0.014 0.000 0.255 169 K C -0.656 176.038 176.600 0.156 0.000 0.941 169 K CA -0.911 55.488 56.287 0.185 0.000 0.825 169 K CB 1.567 34.156 32.500 0.148 0.000 1.119 169 K HN 0.622 nan 8.250 nan 0.000 0.430 170 I N 2.586 123.239 120.570 0.138 0.000 2.312 170 I HA 0.201 4.362 4.170 -0.014 0.000 0.290 170 I C -0.263 175.906 176.117 0.085 0.000 1.008 170 I CA -0.650 60.700 61.300 0.084 0.000 1.226 170 I CB 0.683 38.708 38.000 0.042 0.000 1.371 170 I HN 0.437 nan 8.210 nan 0.000 0.468 171 C N 4.091 123.452 119.300 0.103 0.000 2.322 171 C HA 0.585 5.037 4.460 -0.014 0.000 0.324 171 C C 1.109 176.195 174.990 0.161 0.000 1.249 171 C CA -0.530 58.555 59.018 0.111 0.000 1.453 171 C CB 0.476 28.276 27.740 0.101 0.000 2.145 171 C HN 1.087 nan 8.230 nan 0.000 0.466 172 G N 2.487 111.353 108.800 0.109 0.000 2.249 172 G HA2 0.129 4.081 3.960 -0.014 0.000 0.273 172 G HA3 0.129 4.081 3.960 -0.014 0.000 0.273 172 G C 1.075 175.975 174.900 -0.001 0.000 1.036 172 G CA 0.925 46.094 45.100 0.115 0.000 0.824 172 G HN 2.383 nan 8.290 nan 0.000 0.504 173 G N -2.866 105.878 108.800 -0.092 0.000 2.179 173 G HA2 -0.296 3.656 3.960 -0.014 0.000 0.260 173 G HA3 -0.296 3.656 3.960 -0.014 0.000 0.260 173 G C 0.337 174.985 174.900 -0.419 0.000 0.977 173 G CA 0.668 45.591 45.100 -0.295 0.000 0.641 173 G HN 1.224 nan 8.290 nan 0.000 0.533 174 W N 0.796 122.037 121.300 -0.098 0.000 2.551 174 W HA 0.644 5.296 4.660 -0.014 0.000 0.330 174 W C 0.633 177.093 176.519 -0.098 0.000 1.063 174 W CA -0.994 56.287 57.345 -0.106 0.000 1.222 174 W CB 0.933 30.349 29.460 -0.073 0.000 1.349 174 W HN 0.251 nan 8.180 nan 0.000 0.536 175 Q N 3.528 123.415 119.800 0.144 0.000 2.274 175 Q HA 0.112 4.444 4.340 -0.014 0.000 0.280 175 Q C -0.467 175.584 176.000 0.085 0.000 1.047 175 Q CA 0.376 56.236 55.803 0.096 0.000 0.907 175 Q CB 0.468 29.254 28.738 0.079 0.000 1.171 175 Q HN 0.315 nan 8.270 nan 0.000 0.381 176 M N 3.246 122.892 119.600 0.077 0.000 2.528 176 M HA 0.383 4.855 4.480 -0.014 0.000 0.321 176 M C -0.954 175.352 176.300 0.010 0.000 1.153 176 M CA -0.678 54.635 55.300 0.022 0.000 0.951 176 M CB 1.771 34.397 32.600 0.044 0.000 1.705 176 M HN 0.590 nan 8.290 nan 0.000 0.451 177 E N 1.615 121.752 120.200 -0.105 0.000 2.179 177 E HA 0.461 4.803 4.350 -0.014 0.000 0.275 177 E C -0.791 175.806 176.600 -0.004 0.000 0.945 177 E CA -0.559 55.751 56.400 -0.150 0.000 0.792 177 E CB 1.535 30.887 29.700 -0.579 0.000 1.125 177 E HN 0.502 nan 8.360 nan 0.000 0.397 178 E N 0.741 121.019 120.200 0.129 0.000 2.317 178 E HA 0.730 5.071 4.350 -0.014 0.000 0.270 178 E C -1.056 175.641 176.600 0.163 0.000 0.885 178 E CA -1.577 54.888 56.400 0.108 0.000 0.760 178 E CB 1.459 31.224 29.700 0.108 0.000 1.227 178 E HN 0.441 nan 8.360 nan 0.000 0.434 179 A N 1.985 124.861 122.820 0.094 0.000 2.546 179 A HA 0.042 4.354 4.320 -0.014 0.000 0.243 179 A C -0.129 177.638 177.584 0.305 0.000 1.063 179 A CA 0.189 52.300 52.037 0.122 0.000 0.757 179 A CB -0.119 18.822 19.000 -0.099 0.000 0.991 179 A HN 0.687 nan 8.150 nan 0.000 0.503 180 D N 1.938 122.584 120.400 0.411 0.000 2.483 180 D HA 0.194 4.826 4.640 -0.014 0.000 0.220 180 D C -0.435 176.176 176.300 0.519 0.000 1.173 180 D CA -0.173 54.062 54.000 0.391 0.000 0.964 180 D CB 0.351 41.316 40.800 0.276 0.000 1.046 180 D HN 0.388 nan 8.370 nan 0.000 0.517 181 D N 3.860 124.516 120.400 0.427 0.000 2.713 181 D HA -0.013 4.618 4.640 -0.014 0.000 0.229 181 D C 1.098 177.470 176.300 0.121 0.000 1.136 181 D CA -0.579 53.555 54.000 0.223 0.000 1.010 181 D CB -0.171 40.782 40.800 0.254 0.000 1.084 181 D HN 0.557 nan 8.370 nan 0.000 0.495 182 W N 1.985 123.275 121.300 -0.017 0.000 2.595 182 W HA -0.000 4.652 4.660 -0.014 0.000 0.257 182 W C 0.060 176.605 176.519 0.044 0.000 1.267 182 W CA 0.055 57.430 57.345 0.049 0.000 1.300 182 W CB -0.636 28.867 29.460 0.072 0.000 1.120 182 W HN 0.170 nan 8.180 nan 0.000 0.618 183 L N 1.114 121.908 121.223 -0.715 0.000 2.607 183 L HA 0.192 4.524 4.340 -0.014 0.000 0.228 183 L C 2.746 179.407 176.870 -0.349 0.000 1.123 183 L CA 0.000 54.416 54.840 -0.708 0.000 0.890 183 L CB -0.623 40.909 42.059 -0.879 0.000 1.103 183 L HN -0.107 nan 8.230 nan 0.000 0.468 184 R N 0.503 120.830 120.500 -0.289 0.000 2.103 184 R HA -0.224 4.108 4.340 -0.014 0.000 0.242 184 R C 1.439 177.516 176.300 -0.371 0.000 1.142 184 R CA 2.054 57.935 56.100 -0.365 0.000 0.960 184 R CB -0.153 29.846 30.300 -0.502 0.000 0.858 184 R HN 0.318 nan 8.270 nan 0.000 0.439 185 Y N -0.695 119.627 120.300 0.036 0.000 2.457 185 Y HA 0.348 4.890 4.550 -0.014 0.000 0.263 185 Y C 0.810 176.724 175.900 0.024 0.000 1.164 185 Y CA 0.429 58.591 58.100 0.104 0.000 1.274 185 Y CB 0.758 39.410 38.460 0.320 0.000 1.097 185 Y HN 0.357 nan 8.280 nan 0.000 0.523 186 G N 1.403 110.240 108.800 0.062 0.000 2.788 186 G HA2 -0.220 3.731 3.960 -0.014 0.000 0.686 186 G HA3 -0.220 3.731 3.960 -0.014 0.000 0.686 186 G C -1.236 173.691 174.900 0.045 0.000 1.147 186 G CA -0.920 44.155 45.100 -0.042 0.000 0.755 186 G HN 0.257 nan 8.290 nan 0.000 0.634 187 N N 2.342 121.014 118.700 -0.046 0.000 2.501 187 N HA 0.586 5.318 4.740 -0.014 0.000 0.245 187 N C -0.437 175.059 175.510 -0.022 0.000 0.974 187 N CA -2.190 50.875 53.050 0.025 0.000 0.941 187 N CB 1.730 40.170 38.487 -0.079 0.000 1.122 187 N HN 0.233 nan 8.380 nan 0.000 0.507 188 P HA 0.011 nan 4.420 nan 0.000 0.233 188 P C 0.240 177.238 177.300 -0.503 0.000 1.167 188 P CA 0.759 63.568 63.100 -0.486 0.000 0.770 188 P CB -0.007 31.210 31.700 -0.805 0.000 0.837 189 W N 1.845 123.178 121.300 0.055 0.000 3.388 189 W HA 0.150 4.802 4.660 -0.013 0.000 0.324 189 W C 0.808 177.377 176.519 0.083 0.000 1.250 189 W CA -0.600 56.773 57.345 0.046 0.000 1.809 189 W CB 0.057 29.557 29.460 0.067 0.000 1.083 189 W HN 0.073 nan 8.180 nan 0.000 0.685 190 E N 0.642 120.994 120.200 0.253 0.000 2.299 190 E HA 0.572 4.913 4.350 -0.014 0.000 0.265 190 E C -1.049 175.703 176.600 0.252 0.000 0.911 190 E CA -1.269 55.301 56.400 0.283 0.000 0.789 190 E CB 1.924 31.801 29.700 0.294 0.000 1.246 190 E HN -0.291 nan 8.360 nan 0.000 0.427 191 K N 1.356 121.920 120.400 0.273 0.000 2.502 191 K HA 0.486 4.798 4.320 -0.014 0.000 0.254 191 K C -1.207 175.409 176.600 0.026 0.000 0.947 191 K CA -0.456 55.918 56.287 0.145 0.000 0.834 191 K CB 1.703 34.271 32.500 0.112 0.000 1.112 191 K HN 0.692 nan 8.250 nan 0.000 0.427 192 A N 4.317 127.066 122.820 -0.118 0.000 2.511 192 A HA 0.351 4.663 4.320 -0.014 0.000 0.242 192 A C -0.342 177.072 177.584 -0.283 0.000 1.069 192 A CA -0.133 51.598 52.037 -0.509 0.000 0.763 192 A CB 0.189 18.858 19.000 -0.552 0.000 1.001 192 A HN 0.652 nan 8.150 nan 0.000 0.498 193 R N 3.525 123.863 120.500 -0.270 0.000 2.724 193 R HA 0.212 4.544 4.340 -0.014 0.000 0.284 193 R C -2.369 173.880 176.300 -0.085 0.000 1.481 193 R CA -1.857 54.187 56.100 -0.093 0.000 1.652 193 R CB 0.643 31.000 30.300 0.096 0.000 1.175 193 R HN 0.577 nan 8.270 nan 0.000 0.613 194 P HA -0.185 nan 4.420 nan 0.000 0.220 194 P C 0.943 178.181 177.300 -0.104 0.000 1.148 194 P CA 1.107 64.149 63.100 -0.097 0.000 0.803 194 P CB 0.379 32.019 31.700 -0.100 0.000 0.782 195 E N -0.160 119.901 120.200 -0.231 0.000 2.338 195 E HA -0.144 4.197 4.350 -0.014 0.000 0.197 195 E C 0.592 176.946 176.600 -0.411 0.000 1.007 195 E CA 0.877 57.052 56.400 -0.375 0.000 0.849 195 E CB -0.847 28.513 29.700 -0.566 0.000 0.774 195 E HN 0.268 nan 8.360 nan 0.000 0.506 196 F N 1.819 121.783 119.950 0.025 0.000 2.684 196 F HA 0.255 4.774 4.527 -0.014 0.000 0.298 196 F C 0.409 176.312 175.800 0.171 0.000 1.120 196 F CA -0.401 57.652 58.000 0.088 0.000 1.332 196 F CB 0.227 39.279 39.000 0.085 0.000 0.986 196 F HN -0.289 nan 8.300 nan 0.000 0.524 197 T N 2.910 117.601 114.554 0.229 0.000 2.916 197 T HA 0.313 4.655 4.350 -0.014 0.000 0.303 197 T C -0.279 174.523 174.700 0.170 0.000 1.025 197 T CA 0.371 62.602 62.100 0.219 0.000 1.142 197 T CB 0.654 69.598 68.868 0.126 0.000 0.947 197 T HN -0.158 nan 8.240 nan 0.000 0.544 198 L N 5.668 126.968 121.223 0.127 0.000 2.388 198 L HA 0.556 4.888 4.340 -0.014 0.000 0.264 198 L C -2.304 174.538 176.870 -0.046 0.000 0.998 198 L CA -2.556 52.293 54.840 0.015 0.000 0.817 198 L CB 2.127 44.131 42.059 -0.091 0.000 1.338 198 L HN 0.373 nan 8.230 nan 0.000 0.414 199 P HA 0.365 nan 4.420 nan 0.000 0.285 199 P C -1.132 176.077 177.300 -0.152 0.000 1.259 199 P CA -0.359 62.682 63.100 -0.097 0.000 0.794 199 P CB 1.599 33.244 31.700 -0.093 0.000 0.940 200 V N 4.186 123.992 119.914 -0.181 0.000 2.555 200 V HA 0.332 4.443 4.120 -0.014 0.000 0.302 200 V C 0.273 176.175 176.094 -0.320 0.000 1.038 200 V CA -0.610 61.562 62.300 -0.214 0.000 0.887 200 V CB 1.305 33.029 31.823 -0.165 0.000 0.991 200 V HN 0.596 nan 8.190 nan 0.000 0.434 201 H N 3.750 122.645 119.070 -0.291 0.000 2.472 201 H HA 0.620 5.168 4.556 -0.014 0.000 0.338 201 H C -1.309 173.744 175.328 -0.458 0.000 1.133 201 H CA -0.143 55.672 56.048 -0.387 0.000 1.216 201 H CB 1.946 31.255 29.762 -0.756 0.000 1.497 201 H HN 0.484 nan 8.280 nan 0.000 0.500 202 F N 0.251 120.282 119.950 0.135 0.000 2.613 202 F HA 0.202 4.721 4.527 -0.014 0.000 0.314 202 F C -0.281 175.663 175.800 0.240 0.000 1.075 202 F CA -0.548 57.542 58.000 0.150 0.000 0.945 202 F CB 1.080 40.062 39.000 -0.031 0.000 1.310 202 F HN 0.567 nan 8.300 nan 0.000 0.467 203 Y N 0.173 120.793 120.300 0.533 0.000 2.896 203 Y HA -0.013 4.529 4.550 -0.014 0.000 0.466 203 Y C 1.373 177.547 175.900 0.456 0.000 1.197 203 Y CA 0.691 59.016 58.100 0.375 0.000 2.513 203 Y CB -1.917 36.690 38.460 0.245 0.000 1.232 203 Y HN 1.300 nan 8.280 nan 0.000 0.632 204 G N 0.717 109.811 108.800 0.490 0.000 2.598 204 G HA2 0.088 4.039 3.960 -0.014 0.000 0.244 204 G HA3 0.088 4.039 3.960 -0.014 0.000 0.244 204 G C -0.546 174.579 174.900 0.375 0.000 1.302 204 G CA 0.994 46.306 45.100 0.354 0.000 0.903 204 G HN 1.373 nan 8.290 nan 0.000 0.575 205 R N -2.606 118.112 120.500 0.363 0.000 2.716 205 R HA 0.685 5.016 4.340 -0.014 0.000 0.271 205 R C -1.456 174.983 176.300 0.233 0.000 1.028 205 R CA -0.991 55.256 56.100 0.245 0.000 0.883 205 R CB 1.327 31.718 30.300 0.151 0.000 1.250 205 R HN 0.889 nan 8.270 nan 0.000 0.465 206 V N 1.219 121.182 119.914 0.082 0.000 2.370 206 V HA 0.327 4.438 4.120 -0.014 0.000 0.279 206 V C -0.161 175.860 176.094 -0.121 0.000 1.029 206 V CA -0.543 61.728 62.300 -0.047 0.000 0.870 206 V CB 1.289 33.007 31.823 -0.175 0.000 0.984 206 V HN 0.675 nan 8.190 nan 0.000 0.451 207 E N 3.336 123.455 120.200 -0.134 0.000 2.191 207 E HA 0.422 4.764 4.350 -0.014 0.000 0.278 207 E C -0.902 175.542 176.600 -0.260 0.000 0.972 207 E CA -0.690 55.640 56.400 -0.117 0.000 0.804 207 E CB 1.129 30.817 29.700 -0.020 0.000 1.110 207 E HN 0.671 nan 8.360 nan 0.000 0.394 208 H N 2.078 121.164 119.070 0.026 0.000 2.556 208 H HA 0.195 4.743 4.556 -0.014 0.000 0.310 208 H C 0.143 175.480 175.328 0.016 0.000 1.057 208 H CA -0.368 55.690 56.048 0.017 0.000 1.264 208 H CB 1.104 30.871 29.762 0.008 0.000 1.404 208 H HN 0.553 nan 8.280 nan 0.000 0.462 209 T N -0.645 113.967 114.554 0.096 0.000 2.910 209 T HA 0.163 4.505 4.350 -0.014 0.000 0.279 209 T C 1.435 176.171 174.700 0.060 0.000 0.989 209 T CA -0.772 61.365 62.100 0.063 0.000 0.968 209 T CB 1.007 69.897 68.868 0.036 0.000 1.135 209 T HN 0.384 nan 8.240 nan 0.000 0.562 210 S N -0.251 115.474 115.700 0.041 0.000 2.419 210 S HA -0.090 4.371 4.470 -0.014 0.000 0.235 210 S C 1.164 175.783 174.600 0.032 0.000 1.019 210 S CA 1.018 59.237 58.200 0.032 0.000 0.982 210 S CB -0.392 62.822 63.200 0.024 0.000 0.789 210 S HN 0.738 nan 8.310 nan 0.000 0.490 211 Q N 0.407 120.227 119.800 0.033 0.000 2.769 211 Q HA 0.508 4.839 4.340 -0.014 0.000 0.375 211 Q C 0.182 176.202 176.000 0.034 0.000 0.996 211 Q CA 0.206 56.027 55.803 0.030 0.000 1.042 211 Q CB 0.263 29.015 28.738 0.023 0.000 1.329 211 Q HN 0.445 nan 8.270 nan 0.000 0.427 212 G N 0.221 109.050 108.800 0.048 0.000 2.710 212 G HA2 0.048 4.000 3.960 -0.014 0.000 0.668 212 G HA3 0.048 4.000 3.960 -0.014 0.000 0.668 212 G C -0.583 174.348 174.900 0.052 0.000 1.320 212 G CA -0.649 44.485 45.100 0.056 0.000 0.860 212 G HN 0.680 nan 8.290 nan 0.000 0.538 213 A N 0.224 123.067 122.820 0.038 0.000 2.351 213 A HA 0.714 5.026 4.320 -0.014 0.000 0.257 213 A C 0.477 178.027 177.584 -0.057 0.000 1.087 213 A CA 0.352 52.351 52.037 -0.064 0.000 0.798 213 A CB 0.597 19.542 19.000 -0.091 0.000 1.033 213 A HN 0.765 nan 8.150 nan 0.000 0.488 214 K N 0.630 120.982 120.400 -0.081 0.000 2.468 214 K HA 0.198 4.510 4.320 -0.014 0.000 0.252 214 K C -1.909 174.730 176.600 0.065 0.000 0.932 214 K CA -0.317 55.967 56.287 -0.006 0.000 0.794 214 K CB 2.223 34.720 32.500 -0.005 0.000 1.241 214 K HN 0.752 nan 8.250 nan 0.000 0.428 215 W N 5.167 126.391 121.300 -0.125 0.000 2.291 215 W HA 0.376 5.028 4.660 -0.014 0.000 0.312 215 W C -0.658 175.814 176.519 -0.078 0.000 1.061 215 W CA -0.828 56.452 57.345 -0.109 0.000 1.296 215 W CB 0.200 29.581 29.460 -0.132 0.000 1.223 215 W HN 0.306 nan 8.180 nan 0.000 0.421 216 V N 2.838 122.811 119.914 0.099 0.000 3.126 216 V HA 0.623 4.734 4.120 -0.014 0.000 0.314 216 V C -0.241 175.844 176.094 -0.014 0.000 1.138 216 V CA -0.944 61.343 62.300 -0.021 0.000 1.034 216 V CB 2.013 33.849 31.823 0.021 0.000 1.075 216 V HN 0.470 nan 8.190 nan 0.000 0.442 217 D N 0.224 120.616 120.400 -0.014 0.000 2.800 217 D HA -0.134 4.497 4.640 -0.014 0.000 0.232 217 D C 0.506 176.824 176.300 0.032 0.000 1.137 217 D CA 1.542 55.555 54.000 0.022 0.000 0.718 217 D CB -1.618 39.215 40.800 0.055 0.000 1.084 217 D HN 1.333 nan 8.370 nan 0.000 0.432 218 T N -2.779 111.754 114.554 -0.035 0.000 2.899 218 T HA 0.490 4.831 4.350 -0.014 0.000 0.284 218 T C 0.460 175.212 174.700 0.087 0.000 1.004 218 T CA -0.785 61.305 62.100 -0.017 0.000 1.043 218 T CB 1.931 70.643 68.868 -0.260 0.000 1.013 218 T HN 0.039 nan 8.240 nan 0.000 0.518 219 Q N 0.741 120.662 119.800 0.202 0.000 2.243 219 Q HA 0.545 4.877 4.340 -0.014 0.000 0.252 219 Q C -0.882 175.224 176.000 0.176 0.000 0.909 219 Q CA -0.834 55.111 55.803 0.237 0.000 0.922 219 Q CB 1.768 30.739 28.738 0.389 0.000 1.215 219 Q HN 0.505 nan 8.270 nan 0.000 0.427 220 V N 3.083 123.059 119.914 0.103 0.000 2.435 220 V HA 0.417 4.528 4.120 -0.014 0.000 0.290 220 V C -0.285 175.871 176.094 0.104 0.000 1.030 220 V CA -0.651 61.619 62.300 -0.050 0.000 0.881 220 V CB 1.755 33.480 31.823 -0.163 0.000 0.983 220 V HN 0.488 nan 8.190 nan 0.000 0.445 221 V N 5.810 125.799 119.914 0.125 0.000 2.604 221 V HA 0.492 4.604 4.120 -0.014 0.000 0.305 221 V C -0.169 176.011 176.094 0.144 0.000 1.043 221 V CA -0.667 61.721 62.300 0.147 0.000 0.888 221 V CB 1.923 33.905 31.823 0.266 0.000 0.995 221 V HN 0.644 nan 8.190 nan 0.000 0.429 222 L N 3.424 124.722 121.223 0.124 0.000 2.375 222 L HA 0.732 5.064 4.340 -0.014 0.000 0.271 222 L C 0.482 177.530 176.870 0.297 0.000 1.107 222 L CA -0.274 54.653 54.840 0.143 0.000 0.806 222 L CB 1.174 43.295 42.059 0.104 0.000 1.146 222 L HN 0.764 nan 8.230 nan 0.000 0.447 223 A N 4.950 127.901 122.820 0.218 0.000 2.267 223 A HA 0.600 4.912 4.320 -0.014 0.000 0.315 223 A C -0.513 177.344 177.584 0.454 0.000 1.297 223 A CA -0.455 51.749 52.037 0.279 0.000 0.865 223 A CB 0.920 19.649 19.000 -0.451 0.000 1.165 223 A HN 0.774 nan 8.150 nan 0.000 0.513 224 M N 5.757 125.678 119.600 0.535 0.000 2.149 224 M HA 0.445 4.917 4.480 -0.014 0.000 0.342 224 M C -2.619 173.928 176.300 0.412 0.000 1.068 224 M CA -2.208 53.338 55.300 0.410 0.000 0.991 224 M CB 2.209 34.965 32.600 0.259 0.000 1.596 224 M HN 0.367 nan 8.290 nan 0.000 0.439 225 P HA 0.281 nan 4.420 nan 0.000 0.286 225 P C -1.930 175.268 177.300 -0.171 0.000 1.261 225 P CA -0.085 62.886 63.100 -0.215 0.000 0.821 225 P CB 0.622 31.980 31.700 -0.571 0.000 1.013 226 Y N 0.395 120.614 120.300 -0.136 0.000 2.350 226 Y HA 0.332 4.873 4.550 -0.014 0.000 0.338 226 Y C 0.213 176.084 175.900 -0.048 0.000 0.961 226 Y CA -0.328 57.751 58.100 -0.035 0.000 1.100 226 Y CB 1.361 39.836 38.460 0.024 0.000 1.179 226 Y HN 0.211 nan 8.280 nan 0.000 0.454 227 D N 1.882 122.372 120.400 0.150 0.000 2.198 227 D HA 0.387 5.019 4.640 -0.014 0.000 0.245 227 D C -0.588 175.932 176.300 0.366 0.000 1.079 227 D CA -0.168 53.961 54.000 0.214 0.000 0.854 227 D CB 1.679 42.622 40.800 0.239 0.000 1.148 227 D HN 0.383 nan 8.370 nan 0.000 0.456 228 T N 3.365 118.052 114.554 0.221 0.000 2.807 228 T HA 0.471 4.813 4.350 -0.014 0.000 0.279 228 T C -2.499 172.064 174.700 -0.228 0.000 0.993 228 T CA -1.491 60.653 62.100 0.074 0.000 0.970 228 T CB 2.000 70.894 68.868 0.043 0.000 0.950 228 T HN 0.173 nan 8.240 nan 0.000 0.441 229 P HA 0.306 nan 4.420 nan 0.000 0.275 229 P C -0.988 175.979 177.300 -0.556 0.000 1.227 229 P CA -0.395 62.020 63.100 -1.143 0.000 0.781 229 P CB 0.830 31.663 31.700 -1.445 0.000 0.906 230 V N 5.374 125.012 119.914 -0.459 0.000 2.305 230 V HA 0.255 4.367 4.120 -0.014 0.000 0.275 230 V C -2.056 173.894 176.094 -0.239 0.000 1.020 230 V CA -1.895 60.237 62.300 -0.281 0.000 0.811 230 V CB 1.269 32.976 31.823 -0.193 0.000 1.031 230 V HN 0.541 nan 8.190 nan 0.000 0.439 231 P HA 0.271 nan 4.420 nan 0.000 0.281 231 P C 0.383 177.628 177.300 -0.092 0.000 1.252 231 P CA 0.264 63.268 63.100 -0.160 0.000 0.778 231 P CB 1.581 33.187 31.700 -0.157 0.000 0.895 232 G N 2.321 111.086 108.800 -0.059 0.000 2.634 232 G HA2 0.109 4.060 3.960 -0.014 0.000 0.255 232 G HA3 0.109 4.060 3.960 -0.014 0.000 0.255 232 G C -1.124 173.786 174.900 0.016 0.000 1.205 232 G CA -0.538 44.558 45.100 -0.006 0.000 0.884 232 G HN 0.514 nan 8.290 nan 0.000 0.549 233 Y N 0.635 120.897 120.300 -0.064 0.000 2.624 233 Y HA 0.269 4.811 4.550 -0.014 0.000 0.354 233 Y C 1.184 177.047 175.900 -0.061 0.000 1.051 233 Y CA -0.243 57.816 58.100 -0.070 0.000 1.377 233 Y CB 0.050 38.467 38.460 -0.072 0.000 1.168 233 Y HN 0.708 nan 8.280 nan 0.000 0.525 234 R N 2.868 123.093 120.500 -0.458 0.000 3.502 234 R HA -0.315 4.016 4.340 -0.014 0.000 0.266 234 R C 0.002 176.177 176.300 -0.209 0.000 1.077 234 R CA 1.438 57.288 56.100 -0.416 0.000 0.718 234 R CB -1.915 27.981 30.300 -0.672 0.000 1.120 234 R HN 0.950 nan 8.270 nan 0.000 0.457 235 N N -1.470 117.156 118.700 -0.124 0.000 2.170 235 N HA 0.065 4.797 4.740 -0.014 0.000 0.222 235 N C -0.204 175.266 175.510 -0.067 0.000 1.218 235 N CA -0.397 52.611 53.050 -0.071 0.000 0.889 235 N CB 0.544 39.014 38.487 -0.027 0.000 1.083 235 N HN 0.083 nan 8.380 nan 0.000 0.520 236 N N -0.099 118.555 118.700 -0.076 0.000 2.753 236 N HA -0.132 4.599 4.740 -0.014 0.000 0.251 236 N C -0.972 174.503 175.510 -0.060 0.000 1.097 236 N CA 0.607 53.619 53.050 -0.064 0.000 0.786 236 N CB -1.325 37.126 38.487 -0.060 0.000 1.137 236 N HN 0.201 nan 8.380 nan 0.000 0.566 237 V N 1.047 120.928 119.914 -0.053 0.000 2.465 237 V HA 0.441 4.553 4.120 -0.014 0.000 0.279 237 V C 0.623 176.685 176.094 -0.054 0.000 1.045 237 V CA -0.502 61.773 62.300 -0.042 0.000 0.938 237 V CB 2.139 33.962 31.823 0.000 0.000 0.986 237 V HN -0.037 nan 8.190 nan 0.000 0.467 238 V N 5.268 125.151 119.914 -0.051 0.000 2.419 238 V HA 0.441 4.553 4.120 -0.014 0.000 0.287 238 V C -0.133 175.924 176.094 -0.061 0.000 1.017 238 V CA -0.834 61.392 62.300 -0.123 0.000 0.844 238 V CB 1.487 33.197 31.823 -0.188 0.000 1.011 238 V HN 0.845 nan 8.190 nan 0.000 0.429 239 N N 1.950 120.590 118.700 -0.101 0.000 2.448 239 N HA 0.567 5.299 4.740 -0.014 0.000 0.274 239 N C -0.061 175.407 175.510 -0.071 0.000 1.239 239 N CA -0.313 52.707 53.050 -0.051 0.000 0.982 239 N CB 1.238 39.666 38.487 -0.099 0.000 1.199 239 N HN 0.575 nan 8.380 nan 0.000 0.576 240 T N 0.802 115.338 114.554 -0.030 0.000 2.807 240 T HA 0.393 4.734 4.350 -0.014 0.000 0.279 240 T C -0.217 174.443 174.700 -0.066 0.000 0.993 240 T CA -0.498 61.657 62.100 0.091 0.000 0.970 240 T CB 0.953 69.999 68.868 0.296 0.000 0.950 240 T HN 0.288 nan 8.240 nan 0.000 0.441 241 M N 3.847 123.376 119.600 -0.118 0.000 2.101 241 M HA 0.499 4.971 4.480 -0.014 0.000 0.340 241 M C -0.480 175.674 176.300 -0.244 0.000 1.057 241 M CA -0.742 54.404 55.300 -0.256 0.000 0.984 241 M CB 0.726 33.119 32.600 -0.344 0.000 1.560 241 M HN 0.478 nan 8.290 nan 0.000 0.435 242 R N 5.959 126.202 120.500 -0.428 0.000 2.265 242 R HA 0.620 4.952 4.340 -0.014 0.000 0.328 242 R C -1.939 174.065 176.300 -0.494 0.000 0.969 242 R CA -0.425 55.370 56.100 -0.507 0.000 0.832 242 R CB 0.872 30.683 30.300 -0.814 0.000 1.139 242 R HN 0.811 nan 8.270 nan 0.000 0.457 243 L N 4.952 125.992 121.223 -0.305 0.000 2.322 243 L HA 0.510 4.842 4.340 -0.014 0.000 0.281 243 L C -0.837 175.977 176.870 -0.094 0.000 1.014 243 L CA -0.924 53.834 54.840 -0.136 0.000 0.815 243 L CB 1.551 43.624 42.059 0.024 0.000 1.247 243 L HN 0.581 nan 8.230 nan 0.000 0.421 244 W N 1.804 123.222 121.300 0.196 0.000 2.365 244 W HA 0.492 5.143 4.660 -0.014 0.000 0.316 244 W C 0.514 177.256 176.519 0.373 0.000 1.164 244 W CA -0.229 57.255 57.345 0.232 0.000 1.204 244 W CB 1.550 31.006 29.460 -0.008 0.000 1.213 244 W HN 0.340 nan 8.180 nan 0.000 0.539 245 S N 1.936 118.042 115.700 0.676 0.000 2.482 245 S HA 0.780 5.242 4.470 -0.014 0.000 0.303 245 S C -0.467 174.469 174.600 0.559 0.000 1.091 245 S CA -0.708 57.793 58.200 0.503 0.000 1.057 245 S CB 0.662 64.098 63.200 0.392 0.000 1.031 245 S HN 0.528 nan 8.310 nan 0.000 0.485 246 A N 4.783 127.767 122.820 0.273 0.000 2.366 246 A HA 0.654 4.965 4.320 -0.014 0.000 0.272 246 A C -0.153 177.482 177.584 0.086 0.000 1.135 246 A CA -0.316 51.771 52.037 0.083 0.000 0.804 246 A CB 0.371 19.130 19.000 -0.403 0.000 1.064 246 A HN 0.662 nan 8.150 nan 0.000 0.499 247 K N 1.337 121.799 120.400 0.104 0.000 2.443 247 K HA 0.572 4.883 4.320 -0.014 0.000 0.252 247 K C -0.404 176.173 176.600 -0.039 0.000 0.933 247 K CA -0.404 55.908 56.287 0.042 0.000 0.792 247 K CB 2.156 34.715 32.500 0.098 0.000 1.185 247 K HN 0.860 nan 8.250 nan 0.000 0.425 248 A N 4.589 127.321 122.820 -0.147 0.000 2.462 248 A HA 0.387 4.698 4.320 -0.014 0.000 0.243 248 A C -2.095 175.443 177.584 -0.077 0.000 1.076 248 A CA -0.804 51.065 52.037 -0.280 0.000 0.773 248 A CB -0.411 18.277 19.000 -0.520 0.000 1.010 248 A HN 0.335 nan 8.150 nan 0.000 0.493 249 P HA 0.140 nan 4.420 nan 0.000 0.272 249 P C 0.177 177.549 177.300 0.120 0.000 1.240 249 P CA -0.477 62.669 63.100 0.078 0.000 0.791 249 P CB 0.542 32.306 31.700 0.107 0.000 0.978 250 N N 0.849 119.607 118.700 0.098 0.000 2.331 250 N HA -0.114 4.617 4.740 -0.014 0.000 0.180 250 N C 0.784 176.368 175.510 0.123 0.000 1.019 250 N CA 1.118 54.228 53.050 0.100 0.000 0.881 250 N CB -0.504 38.027 38.487 0.073 0.000 0.972 250 N HN 0.566 nan 8.380 nan 0.000 0.435 251 D N -0.551 119.922 120.400 0.121 0.000 2.328 251 D HA -0.083 4.549 4.640 -0.014 0.000 0.226 251 D C 0.141 176.512 176.300 0.118 0.000 1.066 251 D CA -0.511 53.551 54.000 0.103 0.000 0.861 251 D CB -1.009 39.834 40.800 0.071 0.000 0.912 251 D HN 0.065 nan 8.370 nan 0.000 0.521 252 F N 2.081 122.043 119.950 0.020 0.000 2.590 252 F HA 0.075 4.594 4.527 -0.014 0.000 0.389 252 F C 0.651 176.454 175.800 0.005 0.000 1.049 252 F CA 0.167 58.175 58.000 0.014 0.000 1.199 252 F CB 0.025 39.034 39.000 0.014 0.000 1.058 252 F HN -0.160 nan 8.300 nan 0.000 0.556 253 N N 3.114 121.453 118.700 -0.602 0.000 2.753 253 N HA -0.262 4.469 4.740 -0.014 0.000 0.251 253 N C -0.920 174.497 175.510 -0.156 0.000 1.097 253 N CA 1.367 54.161 53.050 -0.426 0.000 0.786 253 N CB -1.295 36.932 38.487 -0.434 0.000 1.137 253 N HN 0.590 nan 8.380 nan 0.000 0.566 262 Y N 1.548 121.849 120.300 0.002 0.000 2.097 262 Y HA -0.067 4.475 4.550 -0.014 0.000 0.282 262 Y C 2.712 178.621 175.900 0.016 0.000 1.152 262 Y CA 2.384 60.489 58.100 0.008 0.000 1.136 262 Y CB -0.121 38.344 38.460 0.009 0.000 0.975 262 Y HN 0.197 nan 8.280 nan 0.000 0.498 263 I N 0.492 121.003 120.570 -0.098 0.000 2.163 263 I HA -0.305 3.856 4.170 -0.014 0.000 0.243 263 I C 2.392 178.410 176.117 -0.165 0.000 1.085 263 I CA 1.474 62.664 61.300 -0.182 0.000 1.347 263 I CB -1.424 36.577 38.000 0.002 0.000 1.044 263 I HN 0.379 nan 8.210 nan 0.000 0.408 264 Q N 0.565 120.316 119.800 -0.081 0.000 2.096 264 Q HA -0.168 4.164 4.340 -0.014 0.000 0.204 264 Q C 2.388 178.348 176.000 -0.067 0.000 0.982 264 Q CA 2.038 57.808 55.803 -0.054 0.000 0.850 264 Q CB -0.454 28.268 28.738 -0.026 0.000 0.901 264 Q HN 0.558 nan 8.270 nan 0.000 0.422 265 A N 0.005 122.766 122.820 -0.098 0.000 1.908 265 A HA -0.143 4.169 4.320 -0.014 0.000 0.218 265 A C 2.428 179.975 177.584 -0.061 0.000 1.181 265 A CA 1.713 53.700 52.037 -0.082 0.000 0.627 265 A CB -0.670 18.278 19.000 -0.087 0.000 0.818 265 A HN 0.229 nan 8.150 nan 0.000 0.445 266 V N 0.241 120.041 119.914 -0.190 0.000 2.307 266 V HA -0.247 3.865 4.120 -0.014 0.000 0.245 266 V C 2.539 178.602 176.094 -0.050 0.000 1.045 266 V CA 1.891 64.102 62.300 -0.149 0.000 1.024 266 V CB -0.815 30.824 31.823 -0.306 0.000 0.651 266 V HN 0.574 nan 8.190 nan 0.000 0.449 267 L N -0.139 121.049 121.223 -0.058 0.000 2.131 267 L HA -0.178 4.153 4.340 -0.014 0.000 0.210 267 L C 2.097 178.984 176.870 0.028 0.000 1.092 267 L CA 1.366 56.197 54.840 -0.015 0.000 0.759 267 L CB -0.742 41.306 42.059 -0.019 0.000 0.903 267 L HN 0.337 nan 8.230 nan 0.000 0.435 268 D N 0.002 120.438 120.400 0.061 0.000 2.371 268 D HA -0.083 4.548 4.640 -0.014 0.000 0.221 268 D C 2.163 178.617 176.300 0.257 0.000 0.986 268 D CA 0.486 54.568 54.000 0.137 0.000 0.899 268 D CB -0.015 40.861 40.800 0.126 0.000 0.902 268 D HN 0.230 nan 8.370 nan 0.000 0.530 269 R N 0.288 120.901 120.500 0.188 0.000 2.159 269 R HA -0.086 4.246 4.340 -0.014 0.000 0.237 269 R C 1.730 177.969 176.300 -0.102 0.000 1.131 269 R CA 0.970 57.071 56.100 0.000 0.000 0.982 269 R CB -0.294 29.996 30.300 -0.016 0.000 0.868 269 R HN 0.348 nan 8.270 nan 0.000 0.453 270 N N 0.283 118.975 118.700 -0.014 0.000 2.137 270 N HA -0.198 4.533 4.740 -0.014 0.000 0.190 270 N C 1.267 176.762 175.510 -0.025 0.000 1.017 270 N CA 0.820 53.860 53.050 -0.016 0.000 0.859 270 N CB -0.115 38.380 38.487 0.012 0.000 1.002 270 N HN 0.016 nan 8.380 nan 0.000 0.428 271 L N 1.127 122.355 121.223 0.009 0.000 2.012 271 L HA -0.174 4.158 4.340 -0.014 0.000 0.210 271 L C 2.463 179.302 176.870 -0.051 0.000 1.073 271 L CA 1.606 56.460 54.840 0.023 0.000 0.748 271 L CB -1.096 41.035 42.059 0.119 0.000 0.891 271 L HN 0.171 nan 8.230 nan 0.000 0.431 272 A N -0.969 121.746 122.820 -0.174 0.000 1.930 272 A HA -0.178 4.134 4.320 -0.014 0.000 0.217 272 A C 2.144 179.600 177.584 -0.214 0.000 1.175 272 A CA 1.492 53.372 52.037 -0.262 0.000 0.627 272 A CB -0.467 18.179 19.000 -0.590 0.000 0.815 272 A HN 0.544 nan 8.150 nan 0.000 0.443 273 E N -0.007 120.085 120.200 -0.180 0.000 2.427 273 E HA -0.081 4.260 4.350 -0.014 0.000 0.196 273 E C 1.076 177.633 176.600 -0.072 0.000 1.028 273 E CA 0.268 56.597 56.400 -0.118 0.000 0.864 273 E CB -0.159 29.495 29.700 -0.076 0.000 0.813 273 E HN 0.466 nan 8.360 nan 0.000 0.514 274 N N 1.176 119.842 118.700 -0.056 0.000 2.348 274 N HA -0.124 4.608 4.740 -0.014 0.000 0.185 274 N C 1.627 177.130 175.510 -0.012 0.000 1.019 274 N CA 0.695 53.740 53.050 -0.008 0.000 0.880 274 N CB -0.106 38.382 38.487 0.002 0.000 0.965 274 N HN 0.266 nan 8.380 nan 0.000 0.437 275 I N 0.362 120.864 120.570 -0.113 0.000 2.194 275 I HA -0.269 3.893 4.170 -0.014 0.000 0.246 275 I C 1.483 177.558 176.117 -0.070 0.000 1.093 275 I CA 1.373 62.574 61.300 -0.165 0.000 1.355 275 I CB -0.264 37.471 38.000 -0.441 0.000 1.046 275 I HN 0.146 nan 8.210 nan 0.000 0.413 276 S N -0.424 115.227 115.700 -0.082 0.000 2.583 276 S HA 0.176 4.638 4.470 -0.014 0.000 0.239 276 S C 1.481 176.212 174.600 0.218 0.000 0.966 276 S CA -0.502 57.741 58.200 0.071 0.000 0.973 276 S CB 0.221 63.450 63.200 0.048 0.000 0.794 276 S HN 0.223 nan 8.310 nan 0.000 0.463 277 R N 1.205 121.838 120.500 0.222 0.000 2.073 277 R HA 0.280 4.612 4.340 -0.014 0.000 0.229 277 R C 0.366 176.923 176.300 0.428 0.000 1.120 277 R CA 1.073 57.349 56.100 0.292 0.000 0.967 277 R CB -0.174 30.260 30.300 0.223 0.000 0.862 277 R HN 0.391 nan 8.270 nan 0.000 0.436 278 V N 0.417 120.545 119.914 0.356 0.000 2.851 278 V HA 0.351 4.463 4.120 -0.014 0.000 0.307 278 V C -1.633 174.439 176.094 -0.037 0.000 1.129 278 V CA -1.372 61.057 62.300 0.215 0.000 0.932 278 V CB 1.777 33.641 31.823 0.069 0.000 1.024 278 V HN 0.143 nan 8.190 nan 0.000 0.426 279 L N 6.997 127.970 121.223 -0.416 0.000 2.410 279 L HA 0.464 4.795 4.340 -0.014 0.000 0.273 279 L C -0.803 175.904 176.870 -0.272 0.000 1.144 279 L CA 0.447 54.829 54.840 -0.763 0.000 0.863 279 L CB 0.387 41.941 42.059 -0.843 0.000 1.140 279 L HN 0.678 nan 8.230 nan 0.000 0.463 280 Y N 7.120 127.328 120.300 -0.153 0.000 2.650 280 Y HA 0.171 4.712 4.550 -0.014 0.000 0.331 280 Y C -1.346 174.546 175.900 -0.014 0.000 1.165 280 Y CA -1.140 56.943 58.100 -0.028 0.000 1.473 280 Y CB 0.278 38.746 38.460 0.013 0.000 1.224 280 Y HN 0.575 nan 8.280 nan 0.000 0.533 281 P HA 0.026 nan 4.420 nan 0.000 0.249 281 P C -0.868 176.568 177.300 0.226 0.000 1.544 281 P CA 0.077 63.283 63.100 0.177 0.000 0.932 281 P CB 0.117 32.010 31.700 0.321 0.000 1.524 282 N N 1.419 120.263 118.700 0.240 0.000 2.419 282 N HA 0.137 4.868 4.740 -0.014 0.000 0.264 282 N C -0.582 175.092 175.510 0.274 0.000 1.031 282 N CA 0.169 53.390 53.050 0.286 0.000 0.951 282 N CB 0.941 39.633 38.487 0.343 0.000 1.101 282 N HN 0.078 nan 8.380 nan 0.000 0.488 283 D N 1.150 121.756 120.400 0.343 0.000 2.280 283 D HA 0.196 4.827 4.640 -0.014 0.000 0.236 283 D C -0.244 176.352 176.300 0.492 0.000 1.082 283 D CA -0.324 53.910 54.000 0.388 0.000 0.834 283 D CB 0.268 41.364 40.800 0.493 0.000 1.100 283 D HN 0.312 nan 8.370 nan 0.000 0.486 284 N N 3.109 122.001 118.700 0.319 0.000 2.714 284 N HA -0.262 4.470 4.740 -0.014 0.000 0.253 284 N C -1.268 174.474 175.510 0.386 0.000 1.024 284 N CA 0.684 53.891 53.050 0.262 0.000 0.726 284 N CB -0.860 37.694 38.487 0.112 0.000 0.908 284 N HN 0.356 nan 8.380 nan 0.000 0.542 285 F N 0.571 120.628 119.950 0.178 0.000 2.622 285 F HA 0.423 4.942 4.527 -0.014 0.000 0.318 285 F C -1.371 174.511 175.800 0.137 0.000 1.135 285 F CA -1.136 56.941 58.000 0.128 0.000 1.015 285 F CB 0.913 39.954 39.000 0.068 0.000 1.275 285 F HN -0.012 nan 8.300 nan 0.000 0.457 286 F N 5.929 125.406 119.950 -0.788 0.000 2.411 286 F HA 0.488 5.007 4.527 -0.014 0.000 0.350 286 F C -0.432 174.837 175.800 -0.885 0.000 1.114 286 F CA -0.083 57.513 58.000 -0.674 0.000 1.135 286 F CB 0.753 39.432 39.000 -0.535 0.000 1.120 286 F HN 0.589 nan 8.300 nan 0.000 0.495 287 E N 4.087 123.569 120.200 -1.196 0.000 2.182 287 E HA 0.288 4.630 4.350 -0.014 0.000 0.258 287 E C -0.236 175.583 176.600 -1.302 0.000 0.879 287 E CA -0.755 55.062 56.400 -0.971 0.000 0.754 287 E CB 1.416 30.932 29.700 -0.308 0.000 1.162 287 E HN 0.923 nan 8.360 nan 0.000 0.419 288 G N 5.076 113.094 108.800 -1.303 0.000 3.316 288 G HA2 0.033 3.985 3.960 -0.014 0.000 0.255 288 G HA3 0.033 3.985 3.960 -0.014 0.000 0.255 288 G C -0.060 174.740 174.900 -0.166 0.000 0.880 288 G CA -0.154 44.373 45.100 -0.956 0.000 1.956 288 G HN 0.161 nan 8.290 nan 0.000 0.634 289 K N 0.523 120.887 120.400 -0.059 0.000 2.159 289 K HA 0.198 4.510 4.320 -0.014 0.000 0.266 289 K C 0.954 177.683 176.600 0.216 0.000 0.975 289 K CA -0.707 55.638 56.287 0.097 0.000 0.865 289 K CB 2.255 34.797 32.500 0.070 0.000 1.087 289 K HN 0.429 nan 8.250 nan 0.000 0.446 290 E N 1.916 122.213 120.200 0.161 0.000 2.118 290 E HA -0.218 4.124 4.350 -0.014 0.000 0.195 290 E C 1.451 178.073 176.600 0.036 0.000 0.992 290 E CA 1.076 57.524 56.400 0.080 0.000 0.804 290 E CB 0.193 29.943 29.700 0.082 0.000 0.741 290 E HN 0.403 nan 8.360 nan 0.000 0.458 291 L N 1.325 122.610 121.223 0.103 0.000 2.046 291 L HA -0.171 4.160 4.340 -0.014 0.000 0.208 291 L C 2.496 179.447 176.870 0.135 0.000 1.077 291 L CA 1.835 56.752 54.840 0.128 0.000 0.747 291 L CB -0.550 41.656 42.059 0.244 0.000 0.896 291 L HN 0.016 nan 8.230 nan 0.000 0.432 292 R N -0.598 119.932 120.500 0.049 0.000 2.081 292 R HA -0.172 4.160 4.340 -0.014 0.000 0.235 292 R C 2.116 178.454 176.300 0.064 0.000 1.131 292 R CA 1.884 57.947 56.100 -0.061 0.000 0.960 292 R CB -1.013 29.048 30.300 -0.398 0.000 0.856 292 R HN 0.412 nan 8.270 nan 0.000 0.436 293 L N 0.835 122.010 121.223 -0.081 0.000 2.083 293 L HA -0.072 4.260 4.340 -0.014 0.000 0.209 293 L C 1.720 178.518 176.870 -0.120 0.000 1.083 293 L CA 1.899 56.474 54.840 -0.442 0.000 0.752 293 L CB -0.403 41.099 42.059 -0.930 0.000 0.899 293 L HN 0.156 nan 8.230 nan 0.000 0.433 294 K N -1.007 119.371 120.400 -0.036 0.000 2.057 294 K HA -0.197 4.115 4.320 -0.014 0.000 0.207 294 K C 2.100 178.853 176.600 0.254 0.000 1.049 294 K CA 1.773 58.104 56.287 0.073 0.000 0.931 294 K CB -0.185 32.181 32.500 -0.222 0.000 0.714 294 K HN 0.500 nan 8.250 nan 0.000 0.440 295 Q N 0.653 120.572 119.800 0.198 0.000 2.061 295 Q HA -0.200 4.132 4.340 -0.014 0.000 0.204 295 Q C 1.980 178.174 176.000 0.324 0.000 0.984 295 Q CA 1.532 57.511 55.803 0.293 0.000 0.846 295 Q CB -0.042 28.890 28.738 0.323 0.000 0.902 295 Q HN 0.386 nan 8.270 nan 0.000 0.421 296 E N -0.220 120.124 120.200 0.241 0.000 2.077 296 E HA -0.218 4.123 4.350 -0.014 0.000 0.193 296 E C 1.762 178.473 176.600 0.186 0.000 0.989 296 E CA 1.086 57.611 56.400 0.208 0.000 0.800 296 E CB -0.162 29.639 29.700 0.168 0.000 0.746 296 E HN 0.332 nan 8.360 nan 0.000 0.452 297 Y N 0.476 120.819 120.300 0.071 0.000 2.220 297 Y HA -0.210 4.332 4.550 -0.014 0.000 0.291 297 Y C 1.989 177.922 175.900 0.055 0.000 1.129 297 Y CA 1.047 59.148 58.100 0.001 0.000 1.161 297 Y CB -0.417 38.016 38.460 -0.045 0.000 0.997 297 Y HN 0.011 nan 8.280 nan 0.000 0.522 298 F N -0.264 119.678 119.950 -0.013 0.000 2.065 298 F HA -0.261 4.258 4.527 -0.014 0.000 0.298 298 F C 2.492 178.140 175.800 -0.252 0.000 1.112 298 F CA 2.054 59.995 58.000 -0.099 0.000 1.212 298 F CB -1.070 38.024 39.000 0.157 0.000 0.975 298 F HN -0.045 nan 8.300 nan 0.000 0.476 299 V N -0.530 119.332 119.914 -0.087 0.000 2.427 299 V HA -0.195 3.917 4.120 -0.014 0.000 0.248 299 V C 2.195 178.129 176.094 -0.267 0.000 1.051 299 V CA 1.918 64.130 62.300 -0.147 0.000 1.048 299 V CB -0.367 31.575 31.823 0.197 0.000 0.666 299 V HN 0.254 nan 8.190 nan 0.000 0.456 300 V N 0.431 120.203 119.914 -0.236 0.000 2.307 300 V HA -0.170 3.942 4.120 -0.014 0.000 0.245 300 V C 2.792 178.629 176.094 -0.427 0.000 1.045 300 V CA 2.126 64.276 62.300 -0.250 0.000 1.024 300 V CB -1.006 30.736 31.823 -0.136 0.000 0.651 300 V HN 0.645 nan 8.190 nan 0.000 0.449 301 A N -0.249 122.147 122.820 -0.705 0.000 1.898 301 A HA -0.041 4.271 4.320 -0.014 0.000 0.216 301 A C 2.400 179.610 177.584 -0.623 0.000 1.181 301 A CA 1.912 53.525 52.037 -0.707 0.000 0.620 301 A CB -0.757 17.600 19.000 -1.072 0.000 0.819 301 A HN 0.544 nan 8.150 nan 0.000 0.442 302 A N -0.905 121.382 122.820 -0.889 0.000 1.873 302 A HA -0.071 4.240 4.320 -0.014 0.000 0.215 302 A C 2.319 179.399 177.584 -0.840 0.000 1.186 302 A CA 2.305 53.626 52.037 -1.193 0.000 0.616 302 A CB -1.328 16.299 19.000 -2.288 0.000 0.823 302 A HN 0.418 nan 8.150 nan 0.000 0.442 303 T N 0.522 114.716 114.554 -0.599 0.000 2.652 303 T HA -0.121 4.221 4.350 -0.014 0.000 0.267 303 T C 1.837 176.268 174.700 -0.448 0.000 1.039 303 T CA 1.534 63.410 62.100 -0.374 0.000 1.153 303 T CB -0.424 68.230 68.868 -0.357 0.000 0.863 303 T HN 0.335 nan 8.240 nan 0.000 0.428 304 L N 0.676 121.681 121.223 -0.363 0.000 2.083 304 L HA -0.171 4.160 4.340 -0.014 0.000 0.209 304 L C 2.936 179.686 176.870 -0.200 0.000 1.083 304 L CA 1.402 56.080 54.840 -0.270 0.000 0.752 304 L CB -0.510 41.431 42.059 -0.198 0.000 0.899 304 L HN 0.360 nan 8.230 nan 0.000 0.433 305 Q N -0.612 119.068 119.800 -0.199 0.000 2.084 305 Q HA -0.253 4.079 4.340 -0.014 0.000 0.202 305 Q C 1.782 177.749 176.000 -0.056 0.000 0.978 305 Q CA 1.763 57.501 55.803 -0.109 0.000 0.844 305 Q CB -0.101 28.562 28.738 -0.124 0.000 0.898 305 Q HN 0.405 nan 8.270 nan 0.000 0.426 306 D N 0.455 120.810 120.400 -0.075 0.000 2.117 306 D HA -0.100 4.532 4.640 -0.014 0.000 0.198 306 D C 1.674 177.905 176.300 -0.115 0.000 0.982 306 D CA 0.854 54.849 54.000 -0.008 0.000 0.828 306 D CB -0.023 40.878 40.800 0.168 0.000 0.967 306 D HN 0.157 nan 8.370 nan 0.000 0.464 307 I N 0.182 120.575 120.570 -0.295 0.000 2.179 307 I HA -0.253 3.909 4.170 -0.014 0.000 0.242 307 I C 2.354 178.469 176.117 -0.004 0.000 1.088 307 I CA 0.796 61.864 61.300 -0.386 0.000 1.357 307 I CB -0.185 37.433 38.000 -0.638 0.000 1.051 307 I HN 0.052 nan 8.210 nan 0.000 0.409 308 I N 0.255 120.881 120.570 0.093 0.000 2.226 308 I HA -0.309 3.853 4.170 -0.014 0.000 0.245 308 I C 2.810 179.082 176.117 0.259 0.000 1.100 308 I CA 1.211 62.680 61.300 0.283 0.000 1.374 308 I CB -0.450 37.671 38.000 0.202 0.000 1.057 308 I HN 0.222 nan 8.210 nan 0.000 0.413 309 R N 1.242 121.827 120.500 0.140 0.000 2.096 309 R HA -0.241 4.091 4.340 -0.014 0.000 0.240 309 R C 2.489 178.860 176.300 0.120 0.000 1.139 309 R CA 1.887 58.060 56.100 0.122 0.000 0.952 309 R CB -0.303 30.056 30.300 0.099 0.000 0.854 309 R HN 0.228 nan 8.270 nan 0.000 0.436 310 R N -0.640 119.921 120.500 0.101 0.000 2.096 310 R HA -0.162 4.169 4.340 -0.014 0.000 0.235 310 R C 2.218 178.608 176.300 0.150 0.000 1.127 310 R CA 1.686 57.849 56.100 0.106 0.000 0.968 310 R CB -0.372 29.971 30.300 0.072 0.000 0.861 310 R HN 0.294 nan 8.270 nan 0.000 0.440 311 F N 1.484 121.463 119.950 0.049 0.000 2.134 311 F HA -0.138 4.380 4.527 -0.014 0.000 0.299 311 F C 1.719 177.522 175.800 0.004 0.000 1.097 311 F CA 1.570 59.590 58.000 0.033 0.000 1.264 311 F CB 0.035 39.102 39.000 0.111 0.000 1.001 311 F HN -0.137 nan 8.300 nan 0.000 0.479 312 K N -0.315 120.046 120.400 -0.064 0.000 2.155 312 K HA -0.030 4.282 4.320 -0.014 0.000 0.203 312 K C 1.600 178.114 176.600 -0.142 0.000 1.052 312 K CA 1.249 57.424 56.287 -0.187 0.000 0.948 312 K CB -0.268 32.235 32.500 0.004 0.000 0.728 312 K HN 0.113 nan 8.250 nan 0.000 0.448 313 S N 1.351 117.032 115.700 -0.032 0.000 2.803 313 S HA 0.082 4.544 4.470 -0.014 0.000 0.228 313 S C 0.260 174.879 174.600 0.031 0.000 0.953 313 S CA -0.213 58.009 58.200 0.036 0.000 0.983 313 S CB 0.060 63.328 63.200 0.114 0.000 0.784 313 S HN 0.127 nan 8.310 nan 0.000 0.498 325 N N 0.827 119.511 118.700 -0.027 0.000 2.521 325 N HA 0.289 5.021 4.740 -0.014 0.000 0.236 325 N C -0.413 175.178 175.510 0.136 0.000 1.067 325 N CA -0.152 52.942 53.050 0.074 0.000 0.939 325 N CB 0.172 38.693 38.487 0.056 0.000 1.201 325 N HN 0.117 nan 8.380 nan 0.000 0.511 326 F N 1.775 121.844 119.950 0.198 0.000 2.802 326 F HA 0.052 4.571 4.527 -0.014 0.000 0.300 326 F C 1.374 177.242 175.800 0.112 0.000 1.168 326 F CA 0.213 58.299 58.000 0.143 0.000 1.433 326 F CB 0.287 39.258 39.000 -0.049 0.000 1.115 326 F HN 0.481 nan 8.300 nan 0.000 0.582 327 D N 0.260 120.803 120.400 0.239 0.000 2.178 327 D HA -0.164 4.468 4.640 -0.014 0.000 0.201 327 D C 2.154 178.548 176.300 0.157 0.000 0.980 327 D CA 1.268 55.364 54.000 0.161 0.000 0.842 327 D CB -0.111 40.758 40.800 0.115 0.000 0.948 327 D HN 0.232 nan 8.370 nan 0.000 0.472 328 A N -0.734 122.208 122.820 0.203 0.000 2.251 328 A HA 0.097 4.408 4.320 -0.014 0.000 0.209 328 A C 1.553 179.262 177.584 0.209 0.000 1.187 328 A CA -0.255 51.899 52.037 0.196 0.000 0.823 328 A CB -0.758 18.362 19.000 0.199 0.000 0.846 328 A HN 0.224 nan 8.150 nan 0.000 0.486 329 F N 1.925 121.845 119.950 -0.050 0.000 2.065 329 F HA -0.130 4.389 4.527 -0.014 0.000 0.298 329 F C -0.772 174.927 175.800 -0.168 0.000 1.112 329 F CA 2.497 60.260 58.000 -0.395 0.000 1.212 329 F CB -0.545 38.207 39.000 -0.414 0.000 0.975 329 F HN 0.199 nan 8.300 nan 0.000 0.476 330 P HA -0.093 nan 4.420 nan 0.000 0.226 330 P C 0.712 177.969 177.300 -0.072 0.000 1.153 330 P CA 1.405 64.472 63.100 -0.054 0.000 0.777 330 P CB -0.079 31.618 31.700 -0.005 0.000 0.794 331 D N -0.729 119.650 120.400 -0.034 0.000 2.317 331 D HA -0.044 4.587 4.640 -0.014 0.000 0.211 331 D C 1.496 177.780 176.300 -0.027 0.000 0.966 331 D CA 0.952 54.944 54.000 -0.013 0.000 0.876 331 D CB 0.083 40.896 40.800 0.022 0.000 0.927 331 D HN 0.148 nan 8.370 nan 0.000 0.519 332 K N -0.053 120.308 120.400 -0.065 0.000 2.402 332 K HA 0.212 4.523 4.320 -0.014 0.000 0.203 332 K C -0.161 176.355 176.600 -0.141 0.000 1.077 332 K CA 0.067 56.327 56.287 -0.046 0.000 1.051 332 K CB 2.385 34.954 32.500 0.115 0.000 0.907 332 K HN -0.067 nan 8.250 nan 0.000 0.554 333 V N 1.064 120.810 119.914 -0.280 0.000 2.623 333 V HA 0.598 4.710 4.120 -0.014 0.000 0.304 333 V C -1.036 174.970 176.094 -0.147 0.000 1.054 333 V CA -1.286 60.846 62.300 -0.280 0.000 0.882 333 V CB 1.792 33.143 31.823 -0.787 0.000 1.002 333 V HN 0.110 nan 8.190 nan 0.000 0.424 334 A N 5.725 128.507 122.820 -0.063 0.000 2.343 334 A HA 0.935 5.247 4.320 -0.014 0.000 0.316 334 A C -0.922 176.688 177.584 0.044 0.000 1.104 334 A CA -0.504 51.531 52.037 -0.004 0.000 0.768 334 A CB 0.967 19.921 19.000 -0.077 0.000 1.213 334 A HN 0.778 nan 8.150 nan 0.000 0.456 335 I N 1.767 122.407 120.570 0.117 0.000 2.382 335 I HA 0.302 4.464 4.170 -0.014 0.000 0.286 335 I C -0.294 175.916 176.117 0.154 0.000 1.002 335 I CA -0.526 60.853 61.300 0.131 0.000 1.135 335 I CB 1.927 39.984 38.000 0.094 0.000 1.288 335 I HN 0.684 nan 8.210 nan 0.000 0.448 336 Q N 6.797 126.685 119.800 0.147 0.000 2.314 336 Q HA 0.499 4.831 4.340 -0.014 0.000 0.259 336 Q C -1.306 174.684 176.000 -0.016 0.000 0.951 336 Q CA -0.262 55.651 55.803 0.182 0.000 0.909 336 Q CB 1.259 30.218 28.738 0.368 0.000 1.236 336 Q HN 0.570 nan 8.270 nan 0.000 0.444 337 L N 3.776 125.032 121.223 0.055 0.000 2.261 337 L HA 0.382 4.713 4.340 -0.014 0.000 0.289 337 L C 0.101 176.991 176.870 0.034 0.000 1.059 337 L CA -0.710 54.155 54.840 0.042 0.000 0.816 337 L CB 0.604 42.739 42.059 0.126 0.000 1.191 337 L HN 0.566 nan 8.230 nan 0.000 0.431 338 N N 4.728 123.374 118.700 -0.090 0.000 2.508 338 N HA 0.046 4.778 4.740 -0.014 0.000 0.253 338 N C -0.018 175.510 175.510 0.031 0.000 1.145 338 N CA 0.475 53.521 53.050 -0.006 0.000 0.973 338 N CB -0.086 38.327 38.487 -0.122 0.000 1.305 338 N HN 0.664 nan 8.380 nan 0.000 0.506 339 D N -0.218 120.292 120.400 0.182 0.000 3.841 339 D HA -0.244 4.387 4.640 -0.014 0.000 0.276 339 D C 0.235 176.630 176.300 0.159 0.000 2.088 339 D CA 1.670 55.769 54.000 0.165 0.000 1.152 339 D CB -0.414 40.280 40.800 -0.177 0.000 0.944 339 D HN 0.524 nan 8.370 nan 0.000 1.144 340 T N -2.582 112.000 114.554 0.048 0.000 3.129 340 T HA 0.083 4.425 4.350 -0.014 0.000 0.251 340 T C 1.574 176.340 174.700 0.110 0.000 1.117 340 T CA 1.378 63.490 62.100 0.021 0.000 1.034 340 T CB -0.461 68.390 68.868 -0.030 0.000 0.968 340 T HN 0.477 nan 8.240 nan 0.000 0.526 341 H N 2.643 121.804 119.070 0.152 0.000 2.353 341 H HA -0.008 4.540 4.556 -0.014 0.000 0.298 341 H C -0.910 174.507 175.328 0.149 0.000 1.103 341 H CA 1.057 57.208 56.048 0.173 0.000 1.293 341 H CB -0.912 28.953 29.762 0.172 0.000 1.372 341 H HN 0.443 nan 8.280 nan 0.000 0.501 342 P HA 0.082 nan 4.420 nan 0.000 0.254 342 P C 0.742 178.083 177.300 0.069 0.000 1.620 342 P CA 0.318 63.497 63.100 0.132 0.000 1.050 342 P CB 0.353 32.121 31.700 0.113 0.000 1.539 343 S N -0.157 115.577 115.700 0.056 0.000 2.419 343 S HA -0.148 4.314 4.470 -0.014 0.000 0.235 343 S C 1.755 176.350 174.600 -0.008 0.000 1.019 343 S CA 0.887 59.080 58.200 -0.012 0.000 0.982 343 S CB -1.536 61.634 63.200 -0.050 0.000 0.789 343 S HN 0.148 nan 8.310 nan 0.000 0.490 344 L N 1.157 122.388 121.223 0.013 0.000 2.450 344 L HA -0.024 4.307 4.340 -0.014 0.000 0.224 344 L C 2.974 179.866 176.870 0.036 0.000 1.149 344 L CA 0.658 55.503 54.840 0.008 0.000 0.816 344 L CB -0.826 41.231 42.059 -0.003 0.000 0.932 344 L HN 0.472 nan 8.230 nan 0.000 0.449 345 A N 0.642 123.470 122.820 0.013 0.000 1.948 345 A HA -0.234 4.078 4.320 -0.014 0.000 0.220 345 A C 2.187 179.763 177.584 -0.013 0.000 1.177 345 A CA 1.768 53.800 52.037 -0.009 0.000 0.636 345 A CB -0.547 18.442 19.000 -0.019 0.000 0.815 345 A HN 0.394 nan 8.150 nan 0.000 0.449 346 I N 0.130 120.693 120.570 -0.012 0.000 2.133 346 I HA -0.139 4.022 4.170 -0.014 0.000 0.238 346 I C -0.389 175.737 176.117 0.015 0.000 1.074 346 I CA 1.517 62.806 61.300 -0.019 0.000 1.342 346 I CB -0.970 37.018 38.000 -0.020 0.000 1.053 346 I HN 0.247 nan 8.210 nan 0.000 0.404 347 P HA -0.154 nan 4.420 nan 0.000 0.222 347 P C 1.277 178.612 177.300 0.058 0.000 1.153 347 P CA 1.408 64.545 63.100 0.061 0.000 0.798 347 P CB 0.049 31.807 31.700 0.097 0.000 0.796 348 E N 0.371 120.664 120.200 0.155 0.000 2.072 348 E HA -0.161 4.181 4.350 -0.014 0.000 0.191 348 E C 1.929 178.515 176.600 -0.023 0.000 0.985 348 E CA 0.744 57.246 56.400 0.169 0.000 0.801 348 E CB -1.227 28.609 29.700 0.227 0.000 0.750 348 E HN -0.010 nan 8.360 nan 0.000 0.452 349 L N -0.012 121.164 121.223 -0.078 0.000 2.046 349 L HA -0.133 4.199 4.340 -0.014 0.000 0.208 349 L C 2.125 178.850 176.870 -0.243 0.000 1.077 349 L CA 1.826 56.558 54.840 -0.180 0.000 0.747 349 L CB -0.588 41.364 42.059 -0.179 0.000 0.896 349 L HN 0.240 nan 8.230 nan 0.000 0.432 350 M N -0.770 118.703 119.600 -0.210 0.000 2.108 350 M HA -0.240 4.232 4.480 -0.014 0.000 0.261 350 M C 2.446 178.588 176.300 -0.264 0.000 1.066 350 M CA 1.656 56.784 55.300 -0.287 0.000 1.107 350 M CB -1.270 31.146 32.600 -0.306 0.000 1.356 350 M HN 0.349 nan 8.290 nan 0.000 0.406 351 R N 0.086 120.457 120.500 -0.214 0.000 2.083 351 R HA -0.135 4.197 4.340 -0.014 0.000 0.237 351 R C 2.062 178.257 176.300 -0.174 0.000 1.137 351 R CA 1.732 57.707 56.100 -0.209 0.000 0.951 351 R CB -0.176 29.949 30.300 -0.291 0.000 0.851 351 R HN 0.228 nan 8.270 nan 0.000 0.434 352 V N 1.430 121.236 119.914 -0.179 0.000 2.343 352 V HA -0.243 3.868 4.120 -0.014 0.000 0.247 352 V C 2.414 178.338 176.094 -0.282 0.000 1.051 352 V CA 1.653 63.838 62.300 -0.192 0.000 1.036 352 V CB -0.412 31.297 31.823 -0.190 0.000 0.654 352 V HN 0.337 nan 8.190 nan 0.000 0.451 353 L N -0.525 120.470 121.223 -0.380 0.000 2.056 353 L HA -0.121 4.211 4.340 -0.014 0.000 0.207 353 L C 2.406 179.092 176.870 -0.306 0.000 1.078 353 L CA 1.150 55.701 54.840 -0.483 0.000 0.749 353 L CB -0.596 41.133 42.059 -0.550 0.000 0.901 353 L HN 0.213 nan 8.230 nan 0.000 0.433 354 V N -0.637 119.142 119.914 -0.224 0.000 2.331 354 V HA -0.175 3.937 4.120 -0.014 0.000 0.242 354 V C 1.917 177.969 176.094 -0.069 0.000 1.034 354 V CA 1.653 63.886 62.300 -0.113 0.000 1.027 354 V CB -0.376 31.419 31.823 -0.047 0.000 0.667 354 V HN 0.349 nan 8.190 nan 0.000 0.457 355 D N -0.113 120.241 120.400 -0.078 0.000 2.194 355 D HA 0.029 4.660 4.640 -0.014 0.000 0.204 355 D C 2.009 178.279 176.300 -0.050 0.000 0.964 355 D CA 1.057 55.028 54.000 -0.048 0.000 0.846 355 D CB 0.156 40.926 40.800 -0.051 0.000 0.962 355 D HN 0.332 nan 8.370 nan 0.000 0.490 356 L N 0.121 121.297 121.223 -0.078 0.000 2.362 356 L HA 0.134 4.466 4.340 -0.014 0.000 0.204 356 L C 1.837 178.672 176.870 -0.058 0.000 1.060 356 L CA 0.457 55.261 54.840 -0.061 0.000 0.827 356 L CB 0.150 42.171 42.059 -0.063 0.000 1.027 356 L HN -0.194 nan 8.230 nan 0.000 0.474 357 E N 0.294 120.425 120.200 -0.115 0.000 2.447 357 E HA 0.049 4.391 4.350 -0.014 0.000 0.195 357 E C 0.115 176.678 176.600 -0.062 0.000 1.028 357 E CA -0.030 56.310 56.400 -0.100 0.000 0.876 357 E CB 0.438 29.966 29.700 -0.286 0.000 0.885 357 E HN 0.182 nan 8.360 nan 0.000 0.500 358 R N -0.350 120.109 120.500 -0.069 0.000 3.774 358 R HA -0.173 4.159 4.340 -0.014 0.000 0.320 358 R C -0.317 175.969 176.300 -0.023 0.000 1.175 358 R CA 0.205 56.289 56.100 -0.027 0.000 0.849 358 R CB -2.868 27.434 30.300 0.003 0.000 1.365 358 R HN 0.089 nan 8.270 nan 0.000 0.502 359 L N 2.510 123.692 121.223 -0.070 0.000 2.452 359 L HA 0.118 4.450 4.340 -0.014 0.000 0.267 359 L C 1.466 178.331 176.870 -0.008 0.000 1.188 359 L CA 0.361 55.170 54.840 -0.051 0.000 0.821 359 L CB 0.361 42.342 42.059 -0.130 0.000 1.102 359 L HN 0.134 nan 8.230 nan 0.000 0.470 360 D N 1.191 121.611 120.400 0.032 0.000 2.382 360 D HA -0.154 4.478 4.640 -0.014 0.000 0.240 360 D C 0.949 177.320 176.300 0.118 0.000 1.146 360 D CA -0.484 53.569 54.000 0.090 0.000 0.897 360 D CB 0.677 41.534 40.800 0.096 0.000 1.197 360 D HN 0.624 nan 8.370 nan 0.000 0.432 361 W N 2.012 123.315 121.300 0.006 0.000 2.317 361 W HA -0.234 4.418 4.660 -0.014 0.000 0.318 361 W C 1.066 177.632 176.519 0.077 0.000 1.227 361 W CA 1.927 59.283 57.345 0.020 0.000 1.269 361 W CB -0.283 29.170 29.460 -0.013 0.000 1.155 361 W HN 0.452 nan 8.180 nan 0.000 0.484 362 D N 0.294 120.894 120.400 0.334 0.000 2.149 362 D HA -0.198 4.434 4.640 -0.014 0.000 0.198 362 D C 1.877 178.279 176.300 0.171 0.000 0.990 362 D CA 1.898 56.067 54.000 0.283 0.000 0.839 362 D CB -0.365 40.573 40.800 0.229 0.000 0.948 362 D HN 0.110 nan 8.370 nan 0.000 0.460 363 K N 1.212 121.670 120.400 0.097 0.000 2.031 363 K HA 0.026 4.338 4.320 -0.014 0.000 0.205 363 K C 1.875 178.463 176.600 -0.020 0.000 1.049 363 K CA 1.384 57.699 56.287 0.047 0.000 0.939 363 K CB -0.524 32.000 32.500 0.040 0.000 0.717 363 K HN -0.018 nan 8.250 nan 0.000 0.438 364 A N 0.814 123.579 122.820 -0.092 0.000 1.883 364 A HA -0.207 4.104 4.320 -0.014 0.000 0.217 364 A C 2.255 179.733 177.584 -0.177 0.000 1.186 364 A CA 1.617 53.529 52.037 -0.208 0.000 0.624 364 A CB -1.287 17.526 19.000 -0.313 0.000 0.822 364 A HN 0.708 nan 8.150 nan 0.000 0.444 365 W N 0.617 121.696 121.300 -0.369 0.000 2.358 365 W HA -0.185 4.467 4.660 -0.014 0.000 0.303 365 W C 2.020 178.473 176.519 -0.110 0.000 1.208 365 W CA 1.915 59.092 57.345 -0.281 0.000 1.274 365 W CB -0.170 29.155 29.460 -0.226 0.000 1.138 365 W HN 0.628 nan 8.180 nan 0.000 0.515 366 E N 0.098 120.283 120.200 -0.025 0.000 2.058 366 E HA -0.235 4.107 4.350 -0.014 0.000 0.194 366 E C 2.054 178.574 176.600 -0.133 0.000 0.997 366 E CA 2.063 58.418 56.400 -0.076 0.000 0.801 366 E CB -0.354 29.362 29.700 0.027 0.000 0.746 366 E HN 0.052 nan 8.360 nan 0.000 0.450 367 V N 0.753 120.604 119.914 -0.105 0.000 2.295 367 V HA -0.275 3.837 4.120 -0.014 0.000 0.246 367 V C 2.409 178.434 176.094 -0.116 0.000 1.049 367 V CA 2.225 64.482 62.300 -0.071 0.000 1.024 367 V CB -0.815 30.963 31.823 -0.076 0.000 0.648 367 V HN 0.403 nan 8.190 nan 0.000 0.447 368 T N 0.051 114.458 114.554 -0.244 0.000 2.652 368 T HA -0.191 4.150 4.350 -0.014 0.000 0.267 368 T C 1.936 176.444 174.700 -0.320 0.000 1.039 368 T CA 1.838 63.762 62.100 -0.294 0.000 1.153 368 T CB -0.324 68.303 68.868 -0.402 0.000 0.863 368 T HN 0.281 nan 8.240 nan 0.000 0.428 369 V N 1.356 120.965 119.914 -0.508 0.000 2.343 369 V HA -0.170 3.942 4.120 -0.014 0.000 0.247 369 V C 2.369 178.417 176.094 -0.076 0.000 1.051 369 V CA 1.643 63.710 62.300 -0.388 0.000 1.036 369 V CB -0.500 31.020 31.823 -0.505 0.000 0.654 369 V HN 0.458 nan 8.190 nan 0.000 0.451 370 K N -0.458 119.882 120.400 -0.099 0.000 2.283 370 K HA -0.096 4.216 4.320 -0.014 0.000 0.202 370 K C 2.094 178.670 176.600 -0.039 0.000 1.048 370 K CA 1.552 57.770 56.287 -0.116 0.000 0.948 370 K CB -0.213 32.217 32.500 -0.116 0.000 0.742 370 K HN 0.472 nan 8.250 nan 0.000 0.458 371 T N 0.113 114.697 114.554 0.049 0.000 2.976 371 T HA 0.018 4.359 4.350 -0.014 0.000 0.257 371 T C 0.865 175.673 174.700 0.180 0.000 1.051 371 T CA 0.422 62.587 62.100 0.108 0.000 1.141 371 T CB 0.110 69.075 68.868 0.161 0.000 0.881 371 T HN 0.165 nan 8.240 nan 0.000 0.461 372 C N 2.367 121.756 119.300 0.148 0.000 2.365 372 C HA 0.885 5.337 4.460 -0.014 0.000 0.351 372 C C 0.592 175.634 174.990 0.088 0.000 1.240 372 C CA -1.269 57.813 59.018 0.106 0.000 2.062 372 C CB 0.132 27.873 27.740 0.001 0.000 2.387 372 C HN 0.587 nan 8.230 nan 0.000 0.537 373 A N 2.165 125.034 122.820 0.081 0.000 2.498 373 A HA 0.796 5.108 4.320 -0.014 0.000 0.298 373 A C -1.557 176.097 177.584 0.116 0.000 1.075 373 A CA -0.440 51.592 52.037 -0.009 0.000 0.714 373 A CB 1.103 20.090 19.000 -0.022 0.000 1.299 373 A HN 0.953 nan 8.150 nan 0.000 0.407 374 Y N 0.933 121.182 120.300 -0.086 0.000 2.361 374 Y HA 0.622 5.164 4.550 -0.013 0.000 0.337 374 Y C -0.602 175.282 175.900 -0.027 0.000 0.965 374 Y CA -0.327 57.735 58.100 -0.063 0.000 1.091 374 Y CB 2.050 40.428 38.460 -0.137 0.000 1.182 374 Y HN 0.569 nan 8.280 nan 0.000 0.450 375 T N 6.593 120.954 114.554 -0.322 0.000 2.758 375 T HA 0.187 4.529 4.350 -0.014 0.000 0.285 375 T C -0.735 173.549 174.700 -0.693 0.000 0.981 375 T CA -0.778 61.075 62.100 -0.411 0.000 0.965 375 T CB 0.444 69.302 68.868 -0.016 0.000 0.927 375 T HN 0.659 nan 8.240 nan 0.000 0.448 376 N N 1.780 120.052 118.700 -0.713 0.000 2.498 376 N HA 0.132 4.864 4.740 -0.014 0.000 0.287 376 N C 0.062 175.468 175.510 -0.172 0.000 1.097 376 N CA -0.318 52.549 53.050 -0.305 0.000 0.973 376 N CB 0.778 39.249 38.487 -0.027 0.000 1.153 376 N HN 0.670 nan 8.380 nan 0.000 0.472 377 H N 0.859 119.959 119.070 0.051 0.000 2.893 377 H HA 0.157 4.705 4.556 -0.014 0.000 0.270 377 H C -0.196 175.054 175.328 -0.130 0.000 1.095 377 H CA 0.043 56.070 56.048 -0.035 0.000 1.186 377 H CB 1.199 30.949 29.762 -0.020 0.000 1.562 377 H HN 0.532 nan 8.280 nan 0.000 0.536 378 T N 0.196 114.776 114.554 0.045 0.000 2.886 378 T HA 0.222 4.564 4.350 -0.014 0.000 0.330 378 T C 0.421 175.145 174.700 0.040 0.000 1.488 378 T CA -0.356 61.718 62.100 -0.043 0.000 1.054 378 T CB 1.349 70.182 68.868 -0.058 0.000 1.348 378 T HN -0.045 nan 8.240 nan 0.000 0.489 379 V N 1.749 121.652 119.914 -0.018 0.000 3.578 379 V HA 0.553 4.665 4.120 -0.014 0.000 0.290 379 V C 0.673 176.734 176.094 -0.055 0.000 1.376 379 V CA 0.018 62.295 62.300 -0.039 0.000 1.083 379 V CB -0.511 31.287 31.823 -0.043 0.000 0.911 379 V HN 0.697 nan 8.190 nan 0.000 0.433 380 L N 3.031 124.213 121.223 -0.069 0.000 2.534 380 L HA 0.208 4.540 4.340 -0.014 0.000 0.271 380 L C -0.647 176.227 176.870 0.008 0.000 1.178 380 L CA -0.969 53.854 54.840 -0.029 0.000 0.907 380 L CB 0.669 42.696 42.059 -0.053 0.000 1.164 380 L HN 0.138 nan 8.230 nan 0.000 0.482 381 P HA -0.192 nan 4.420 nan 0.000 0.218 381 P C 0.994 178.307 177.300 0.021 0.000 1.149 381 P CA 1.120 64.225 63.100 0.010 0.000 0.817 381 P CB 0.068 31.776 31.700 0.013 0.000 0.785 382 E N 0.442 120.686 120.200 0.074 0.000 2.347 382 E HA -0.065 4.277 4.350 -0.014 0.000 0.196 382 E C 1.669 178.290 176.600 0.035 0.000 1.008 382 E CA 1.095 57.554 56.400 0.098 0.000 0.852 382 E CB -0.820 29.039 29.700 0.265 0.000 0.783 382 E HN 0.178 nan 8.360 nan 0.000 0.505 383 A N 1.417 124.275 122.820 0.063 0.000 2.132 383 A HA 0.196 4.508 4.320 -0.014 0.000 0.213 383 A C 1.445 179.029 177.584 -0.001 0.000 1.154 383 A CA -0.180 51.897 52.037 0.067 0.000 0.753 383 A CB -0.164 18.895 19.000 0.099 0.000 0.826 383 A HN 0.156 nan 8.150 nan 0.000 0.469 384 L N 1.381 122.561 121.223 -0.072 0.000 2.416 384 L HA 0.142 4.474 4.340 -0.014 0.000 0.272 384 L C -0.068 176.497 176.870 -0.508 0.000 1.161 384 L CA -0.187 54.551 54.840 -0.170 0.000 0.845 384 L CB 0.543 42.534 42.059 -0.112 0.000 1.119 384 L HN 0.331 nan 8.230 nan 0.000 0.464 385 E N 4.033 123.852 120.200 -0.635 0.000 2.180 385 E HA 0.223 4.564 4.350 -0.014 0.000 0.283 385 E C -0.601 175.356 176.600 -1.072 0.000 1.061 385 E CA -0.153 55.432 56.400 -1.359 0.000 0.861 385 E CB 0.728 29.994 29.700 -0.724 0.000 1.056 385 E HN 0.395 nan 8.360 nan 0.000 0.407 386 R N 3.697 123.364 120.500 -1.388 0.000 2.487 386 R HA 0.189 4.520 4.340 -0.014 0.000 0.288 386 R C -1.288 174.800 176.300 -0.353 0.000 1.394 386 R CA -0.534 55.219 56.100 -0.578 0.000 1.155 386 R CB 0.798 30.902 30.300 -0.326 0.000 1.156 386 R HN 0.452 nan 8.270 nan 0.000 0.553 387 W N 4.320 125.549 121.300 -0.119 0.000 2.311 387 W HA 0.272 4.923 4.660 -0.014 0.000 0.310 387 W C -1.884 174.615 176.519 -0.034 0.000 1.274 387 W CA -2.093 55.261 57.345 0.015 0.000 1.215 387 W CB 0.741 30.187 29.460 -0.023 0.000 1.227 387 W HN 0.243 nan 8.180 nan 0.000 0.523 388 P HA -0.108 nan 4.420 nan 0.000 0.264 388 P C 0.822 178.086 177.300 -0.060 0.000 1.183 388 P CA 0.270 63.372 63.100 0.003 0.000 0.763 388 P CB 0.726 32.288 31.700 -0.230 0.000 0.807 389 V N 3.373 123.295 119.914 0.013 0.000 2.332 389 V HA -0.292 3.819 4.120 -0.014 0.000 0.248 389 V C 2.156 178.259 176.094 0.016 0.000 1.055 389 V CA 2.594 64.915 62.300 0.034 0.000 1.038 389 V CB -1.666 30.235 31.823 0.130 0.000 0.651 389 V HN 0.774 nan 8.190 nan 0.000 0.450 390 H N -1.027 118.102 119.070 0.097 0.000 2.421 390 H HA -0.118 4.430 4.556 -0.014 0.000 0.298 390 H C 2.040 177.418 175.328 0.084 0.000 1.087 390 H CA 1.782 57.883 56.048 0.088 0.000 1.330 390 H CB -0.614 29.201 29.762 0.088 0.000 1.388 390 H HN 0.358 nan 8.280 nan 0.000 0.526 391 L N -0.075 120.960 121.223 -0.313 0.000 2.005 391 L HA -0.117 4.215 4.340 -0.014 0.000 0.207 391 L C 2.420 179.237 176.870 -0.089 0.000 1.072 391 L CA 1.180 55.947 54.840 -0.121 0.000 0.744 391 L CB -0.283 41.701 42.059 -0.124 0.000 0.895 391 L HN 0.313 nan 8.230 nan 0.000 0.433 392 L N -0.608 120.539 121.223 -0.126 0.000 2.131 392 L HA -0.233 4.099 4.340 -0.014 0.000 0.210 392 L C 2.480 179.285 176.870 -0.109 0.000 1.092 392 L CA 1.107 55.848 54.840 -0.165 0.000 0.759 392 L CB -0.398 41.551 42.059 -0.183 0.000 0.903 392 L HN 0.299 nan 8.230 nan 0.000 0.435 393 E N -0.504 119.675 120.200 -0.034 0.000 2.085 393 E HA -0.213 4.129 4.350 -0.014 0.000 0.194 393 E C 1.918 178.555 176.600 0.062 0.000 0.994 393 E CA 1.886 58.299 56.400 0.022 0.000 0.801 393 E CB 0.139 29.892 29.700 0.088 0.000 0.743 393 E HN 0.436 nan 8.360 nan 0.000 0.453 394 T N 0.634 115.248 114.554 0.100 0.000 2.852 394 T HA -0.074 4.268 4.350 -0.014 0.000 0.256 394 T C 1.728 176.541 174.700 0.188 0.000 1.038 394 T CA 0.717 62.931 62.100 0.191 0.000 1.141 394 T CB -0.149 68.866 68.868 0.245 0.000 0.869 394 T HN 0.069 nan 8.240 nan 0.000 0.439 395 L N 0.073 121.302 121.223 0.011 0.000 2.095 395 L HA 0.327 4.659 4.340 -0.014 0.000 0.204 395 L C 0.487 177.291 176.870 -0.109 0.000 1.080 395 L CA 1.623 56.348 54.840 -0.192 0.000 0.759 395 L CB -0.007 41.902 42.059 -0.250 0.000 0.914 395 L HN 0.180 nan 8.230 nan 0.000 0.439 396 L N 0.613 121.735 121.223 -0.170 0.000 2.625 396 L HA 0.282 4.613 4.340 -0.014 0.000 0.255 396 L C -1.685 174.996 176.870 -0.316 0.000 1.493 396 L CA -0.965 53.686 54.840 -0.315 0.000 0.796 396 L CB 0.818 42.560 42.059 -0.529 0.000 1.064 396 L HN -0.040 nan 8.230 nan 0.000 0.516 397 P HA -0.206 nan 4.420 nan 0.000 0.216 397 P C 1.485 178.582 177.300 -0.339 0.000 1.150 397 P CA 1.245 64.213 63.100 -0.219 0.000 0.837 397 P CB 0.341 31.986 31.700 -0.091 0.000 0.786 398 R N -0.371 119.740 120.500 -0.648 0.000 2.090 398 R HA -0.135 4.197 4.340 -0.014 0.000 0.228 398 R C 2.345 178.328 176.300 -0.528 0.000 1.110 398 R CA 1.505 57.236 56.100 -0.615 0.000 0.973 398 R CB -1.310 28.477 30.300 -0.855 0.000 0.869 398 R HN 0.213 nan 8.270 nan 0.000 0.440 399 H N -0.042 118.713 119.070 -0.526 0.000 2.387 399 H HA -0.090 4.458 4.556 -0.014 0.000 0.299 399 H C 1.840 176.989 175.328 -0.298 0.000 1.090 399 H CA 1.721 57.546 56.048 -0.372 0.000 1.332 399 H CB -0.155 29.353 29.762 -0.425 0.000 1.386 399 H HN 0.106 nan 8.280 nan 0.000 0.516 400 L N 0.575 121.666 121.223 -0.221 0.000 2.017 400 L HA -0.263 4.068 4.340 -0.014 0.000 0.208 400 L C 1.917 178.567 176.870 -0.367 0.000 1.073 400 L CA 1.673 56.309 54.840 -0.340 0.000 0.745 400 L CB -0.317 41.557 42.059 -0.308 0.000 0.894 400 L HN 0.451 nan 8.230 nan 0.000 0.432 401 Q N -0.344 119.359 119.800 -0.162 0.000 2.084 401 Q HA -0.241 4.091 4.340 -0.014 0.000 0.202 401 Q C 2.164 178.177 176.000 0.021 0.000 0.978 401 Q CA 1.674 57.481 55.803 0.006 0.000 0.844 401 Q CB -0.111 28.643 28.738 0.028 0.000 0.898 401 Q HN 0.559 nan 8.270 nan 0.000 0.426 402 I N 0.378 120.938 120.570 -0.016 0.000 2.315 402 I HA -0.266 3.896 4.170 -0.014 0.000 0.248 402 I C 2.117 178.312 176.117 0.130 0.000 1.117 402 I CA 0.991 62.366 61.300 0.124 0.000 1.404 402 I CB -0.093 37.939 38.000 0.053 0.000 1.071 402 I HN 0.191 nan 8.210 nan 0.000 0.419 403 I N -0.537 120.025 120.570 -0.013 0.000 2.286 403 I HA -0.319 3.842 4.170 -0.014 0.000 0.248 403 I C 2.348 178.481 176.117 0.027 0.000 1.115 403 I CA 1.375 62.657 61.300 -0.031 0.000 1.392 403 I CB -0.372 37.542 38.000 -0.144 0.000 1.065 403 I HN 0.165 nan 8.210 nan 0.000 0.418 404 Y N 0.851 121.158 120.300 0.011 0.000 2.181 404 Y HA -0.275 4.267 4.550 -0.014 0.000 0.288 404 Y C 2.611 178.481 175.900 -0.051 0.000 1.146 404 Y CA 1.547 59.639 58.100 -0.013 0.000 1.164 404 Y CB -0.820 37.624 38.460 -0.026 0.000 0.982 404 Y HN 0.190 nan 8.280 nan 0.000 0.515 405 E N 0.402 120.648 120.200 0.076 0.000 2.077 405 E HA -0.151 4.190 4.350 -0.014 0.000 0.193 405 E C 2.079 178.607 176.600 -0.120 0.000 0.989 405 E CA 1.330 57.635 56.400 -0.158 0.000 0.800 405 E CB -0.551 28.881 29.700 -0.446 0.000 0.746 405 E HN 0.472 nan 8.360 nan 0.000 0.452 406 I N 0.676 121.282 120.570 0.061 0.000 2.163 406 I HA -0.304 3.858 4.170 -0.014 0.000 0.243 406 I C 2.289 178.412 176.117 0.010 0.000 1.085 406 I CA 1.466 62.752 61.300 -0.023 0.000 1.347 406 I CB -0.425 37.563 38.000 -0.019 0.000 1.044 406 I HN 0.217 nan 8.210 nan 0.000 0.408 407 N N 0.687 119.438 118.700 0.086 0.000 2.120 407 N HA -0.263 4.469 4.740 -0.014 0.000 0.188 407 N C 1.859 177.453 175.510 0.140 0.000 1.024 407 N CA 1.519 54.666 53.050 0.162 0.000 0.852 407 N CB -0.136 38.463 38.487 0.188 0.000 1.003 407 N HN 0.323 nan 8.380 nan 0.000 0.424 408 Q N 0.019 119.849 119.800 0.050 0.000 2.030 408 Q HA -0.124 4.208 4.340 -0.014 0.000 0.204 408 Q C 2.063 178.049 176.000 -0.023 0.000 0.986 408 Q CA 1.514 57.310 55.803 -0.011 0.000 0.843 408 Q CB -0.012 28.680 28.738 -0.078 0.000 0.904 408 Q HN 0.344 nan 8.270 nan 0.000 0.420 409 R N -0.731 119.734 120.500 -0.058 0.000 2.092 409 R HA -0.123 4.209 4.340 -0.014 0.000 0.231 409 R C 2.152 178.476 176.300 0.041 0.000 1.119 409 R CA 1.362 57.426 56.100 -0.060 0.000 0.970 409 R CB -0.370 29.844 30.300 -0.142 0.000 0.864 409 R HN 0.276 nan 8.270 nan 0.000 0.440 410 F N 1.385 121.304 119.950 -0.051 0.000 2.102 410 F HA -0.136 4.383 4.527 -0.014 0.000 0.298 410 F C 1.831 177.649 175.800 0.029 0.000 1.105 410 F CA 1.430 59.446 58.000 0.026 0.000 1.239 410 F CB -0.218 38.827 39.000 0.075 0.000 0.991 410 F HN -0.099 nan 8.300 nan 0.000 0.474 411 L N -0.111 121.135 121.223 0.038 0.000 2.131 411 L HA -0.240 4.091 4.340 -0.014 0.000 0.210 411 L C 1.992 178.803 176.870 -0.098 0.000 1.092 411 L CA 1.572 56.372 54.840 -0.066 0.000 0.759 411 L CB -0.892 41.184 42.059 0.028 0.000 0.903 411 L HN 0.262 nan 8.230 nan 0.000 0.435 412 N N -0.193 118.466 118.700 -0.068 0.000 2.166 412 N HA -0.162 4.570 4.740 -0.014 0.000 0.186 412 N C 1.923 177.382 175.510 -0.085 0.000 1.019 412 N CA 0.744 53.754 53.050 -0.067 0.000 0.856 412 N CB 0.006 38.459 38.487 -0.055 0.000 0.993 412 N HN 0.279 nan 8.380 nan 0.000 0.426 413 R N 0.552 120.983 120.500 -0.115 0.000 2.081 413 R HA -0.052 4.280 4.340 -0.014 0.000 0.235 413 R C 2.188 178.393 176.300 -0.159 0.000 1.131 413 R CA 0.879 56.903 56.100 -0.126 0.000 0.960 413 R CB -0.286 29.941 30.300 -0.121 0.000 0.856 413 R HN 0.074 nan 8.270 nan 0.000 0.436 414 V N 0.864 120.631 119.914 -0.245 0.000 2.295 414 V HA -0.237 3.875 4.120 -0.014 0.000 0.246 414 V C 2.412 178.507 176.094 0.002 0.000 1.049 414 V CA 1.962 64.182 62.300 -0.133 0.000 1.024 414 V CB -0.737 30.933 31.823 -0.255 0.000 0.648 414 V HN 0.414 nan 8.190 nan 0.000 0.447 415 A N 0.049 122.842 122.820 -0.046 0.000 1.940 415 A HA -0.138 4.174 4.320 -0.014 0.000 0.219 415 A C 2.393 179.961 177.584 -0.028 0.000 1.176 415 A CA 2.188 54.214 52.037 -0.018 0.000 0.631 415 A CB -0.721 18.259 19.000 -0.034 0.000 0.814 415 A HN 0.583 nan 8.150 nan 0.000 0.446 416 A N -0.495 122.290 122.820 -0.058 0.000 1.929 416 A HA 0.274 4.586 4.320 -0.014 0.000 0.216 416 A C 2.422 179.928 177.584 -0.129 0.000 1.176 416 A CA 1.761 53.752 52.037 -0.077 0.000 0.628 416 A CB -0.765 18.193 19.000 -0.071 0.000 0.816 416 A HN 0.985 nan 8.150 nan 0.000 0.444 417 A N -1.626 121.085 122.820 -0.183 0.000 1.970 417 A HA 0.310 4.621 4.320 -0.014 0.000 0.216 417 A C 0.540 177.729 177.584 -0.659 0.000 1.170 417 A CA 0.647 52.420 52.037 -0.440 0.000 0.645 417 A CB -0.235 18.448 19.000 -0.529 0.000 0.816 417 A HN 0.431 nan 8.150 nan 0.000 0.447 418 F N -0.092 119.810 119.950 -0.079 0.000 2.584 418 F HA 0.337 4.855 4.527 -0.014 0.000 0.328 418 F C -2.778 172.986 175.800 -0.061 0.000 1.407 418 F CA -2.751 55.207 58.000 -0.070 0.000 1.145 418 F CB 0.877 39.827 39.000 -0.084 0.000 1.440 418 F HN -0.055 nan 8.300 nan 0.000 0.580 419 P HA 0.223 nan 4.420 nan 0.000 0.267 419 P C 0.985 178.305 177.300 0.033 0.000 1.205 419 P CA 0.859 63.971 63.100 0.020 0.000 0.765 419 P CB 0.969 32.662 31.700 -0.012 0.000 0.828 420 G N 2.502 111.315 108.800 0.021 0.000 2.205 420 G HA2 -0.239 3.712 3.960 -0.014 0.000 0.261 420 G HA3 -0.239 3.712 3.960 -0.014 0.000 0.261 420 G C 0.291 175.201 174.900 0.016 0.000 0.980 420 G CA -0.011 45.098 45.100 0.014 0.000 0.632 420 G HN 0.601 nan 8.290 nan 0.000 0.533 421 D N 1.374 121.792 120.400 0.030 0.000 2.508 421 D HA 0.387 5.018 4.640 -0.014 0.000 0.224 421 D C 2.054 178.343 176.300 -0.017 0.000 1.171 421 D CA 0.398 54.402 54.000 0.006 0.000 1.006 421 D CB 0.438 41.242 40.800 0.007 0.000 1.073 421 D HN 0.601 nan 8.370 nan 0.000 0.513 422 V N 0.694 120.600 119.914 -0.014 0.000 2.548 422 V HA -0.100 4.012 4.120 -0.014 0.000 0.249 422 V C 1.750 177.832 176.094 -0.020 0.000 1.055 422 V CA 1.344 63.635 62.300 -0.015 0.000 1.065 422 V CB -0.390 31.428 31.823 -0.008 0.000 0.681 422 V HN 0.201 nan 8.190 nan 0.000 0.462 423 D N 0.427 120.812 120.400 -0.025 0.000 2.183 423 D HA -0.150 4.481 4.640 -0.014 0.000 0.203 423 D C 2.330 178.602 176.300 -0.046 0.000 0.969 423 D CA 1.236 55.221 54.000 -0.025 0.000 0.842 423 D CB -0.187 40.599 40.800 -0.023 0.000 0.957 423 D HN 0.433 nan 8.370 nan 0.000 0.484 424 R N -0.085 120.363 120.500 -0.087 0.000 2.081 424 R HA -0.102 4.229 4.340 -0.014 0.000 0.235 424 R C 2.254 178.483 176.300 -0.119 0.000 1.131 424 R CA 0.939 56.948 56.100 -0.150 0.000 0.960 424 R CB -0.288 29.858 30.300 -0.257 0.000 0.856 424 R HN 0.252 nan 8.270 nan 0.000 0.436 425 L N 0.620 121.797 121.223 -0.076 0.000 2.042 425 L HA -0.229 4.103 4.340 -0.014 0.000 0.210 425 L C 2.703 179.576 176.870 0.005 0.000 1.076 425 L CA 2.006 56.821 54.840 -0.041 0.000 0.749 425 L CB -0.492 41.553 42.059 -0.024 0.000 0.893 425 L HN 0.310 nan 8.230 nan 0.000 0.432 426 R N -0.038 120.469 120.500 0.013 0.000 2.115 426 R HA -0.077 4.255 4.340 -0.014 0.000 0.226 426 R C 2.176 178.526 176.300 0.084 0.000 1.100 426 R CA 0.862 56.992 56.100 0.050 0.000 0.980 426 R CB -0.460 29.864 30.300 0.040 0.000 0.875 426 R HN 0.194 nan 8.270 nan 0.000 0.445 427 R N 0.231 120.764 120.500 0.055 0.000 2.115 427 R HA 0.109 4.440 4.340 -0.014 0.000 0.226 427 R C 2.011 178.403 176.300 0.154 0.000 1.100 427 R CA 1.702 57.862 56.100 0.101 0.000 0.980 427 R CB -0.174 30.146 30.300 0.034 0.000 0.875 427 R HN 0.327 nan 8.270 nan 0.000 0.445 428 M N 0.122 119.733 119.600 0.018 0.000 2.509 428 M HA 0.046 4.518 4.480 -0.014 0.000 0.250 428 M C 0.860 177.312 176.300 0.253 0.000 1.132 428 M CA 0.023 55.278 55.300 -0.075 0.000 1.080 428 M CB 0.432 32.827 32.600 -0.342 0.000 1.408 428 M HN -0.084 nan 8.290 nan 0.000 0.484 429 S N 1.120 116.980 115.700 0.267 0.000 2.558 429 S HA 0.067 4.528 4.470 -0.014 0.000 0.288 429 S C 1.185 176.034 174.600 0.415 0.000 1.318 429 S CA -0.277 58.105 58.200 0.302 0.000 1.056 429 S CB 0.580 63.901 63.200 0.202 0.000 0.853 429 S HN 0.362 nan 8.310 nan 0.000 0.505 430 L N 4.069 125.490 121.223 0.329 0.000 2.291 430 L HA 0.063 4.395 4.340 -0.014 0.000 0.214 430 L C 0.377 177.352 176.870 0.174 0.000 1.120 430 L CA 0.445 55.435 54.840 0.250 0.000 0.799 430 L CB -0.441 41.711 42.059 0.154 0.000 0.925 430 L HN 0.415 nan 8.230 nan 0.000 0.446 431 V N 0.880 120.909 119.914 0.191 0.000 2.364 431 V HA 0.153 4.265 4.120 -0.014 0.000 0.272 431 V C 0.112 176.290 176.094 0.139 0.000 1.036 431 V CA -0.578 61.823 62.300 0.167 0.000 0.880 431 V CB 1.284 33.238 31.823 0.218 0.000 0.991 431 V HN 0.174 nan 8.190 nan 0.000 0.460 432 E N 3.265 123.527 120.200 0.103 0.000 2.200 432 E HA 0.376 4.718 4.350 -0.014 0.000 0.283 432 E C -0.590 176.059 176.600 0.081 0.000 1.015 432 E CA -0.505 55.946 56.400 0.084 0.000 0.819 432 E CB 1.760 31.489 29.700 0.048 0.000 1.081 432 E HN 0.614 nan 8.360 nan 0.000 0.397 433 E N 0.901 121.146 120.200 0.074 0.000 2.345 433 E HA 0.611 4.953 4.350 -0.014 0.000 0.259 433 E C 0.112 176.746 176.600 0.057 0.000 1.117 433 E CA 0.323 56.762 56.400 0.065 0.000 0.913 433 E CB 1.426 31.158 29.700 0.054 0.000 1.057 433 E HN 0.635 nan 8.360 nan 0.000 0.432 434 G N -0.356 108.476 108.800 0.054 0.000 2.350 434 G HA2 0.287 4.239 3.960 -0.014 0.000 0.276 434 G HA3 0.287 4.239 3.960 -0.014 0.000 0.276 434 G C 0.305 175.236 174.900 0.052 0.000 1.313 434 G CA 0.104 45.234 45.100 0.049 0.000 0.903 434 G HN 0.584 nan 8.290 nan 0.000 0.490 435 A N -0.839 122.011 122.820 0.049 0.000 1.849 435 A HA 0.303 4.615 4.320 -0.014 0.000 0.217 435 A C 1.711 179.335 177.584 0.067 0.000 1.202 435 A CA 3.597 55.664 52.037 0.050 0.000 0.629 435 A CB -1.299 17.728 19.000 0.045 0.000 0.834 435 A HN 2.284 nan 8.150 nan 0.000 0.447 436 V N -2.503 117.463 119.914 0.086 0.000 2.427 436 V HA 0.486 4.597 4.120 -0.014 0.000 0.286 436 V C -0.344 175.821 176.094 0.117 0.000 1.034 436 V CA -1.359 61.016 62.300 0.125 0.000 0.893 436 V CB 1.202 33.131 31.823 0.177 0.000 0.982 436 V HN 0.332 nan 8.190 nan 0.000 0.452 437 K N 4.338 124.816 120.400 0.129 0.000 2.401 437 K HA 0.420 4.731 4.320 -0.014 0.000 0.278 437 K C -0.290 176.379 176.600 0.115 0.000 1.018 437 K CA -0.014 56.345 56.287 0.119 0.000 0.981 437 K CB 0.779 33.361 32.500 0.137 0.000 0.933 437 K HN 0.739 nan 8.250 nan 0.000 0.477 438 R N 1.713 122.268 120.500 0.091 0.000 2.795 438 R HA 0.463 4.795 4.340 -0.014 0.000 0.275 438 R C -0.558 175.777 176.300 0.058 0.000 0.981 438 R CA -1.000 55.142 56.100 0.069 0.000 0.917 438 R CB 1.337 31.658 30.300 0.035 0.000 1.202 438 R HN 0.372 nan 8.270 nan 0.000 0.469 439 I N 2.054 122.653 120.570 0.049 0.000 2.321 439 I HA 0.144 4.306 4.170 -0.014 0.000 0.291 439 I C -0.080 176.015 176.117 -0.036 0.000 0.998 439 I CA -0.693 60.623 61.300 0.027 0.000 1.227 439 I CB 0.993 39.009 38.000 0.026 0.000 1.368 439 I HN 0.504 nan 8.210 nan 0.000 0.466 440 N N 7.138 125.787 118.700 -0.084 0.000 2.402 440 N HA 0.092 4.824 4.740 -0.014 0.000 0.252 440 N C 0.791 176.197 175.510 -0.174 0.000 1.118 440 N CA -0.301 52.618 53.050 -0.218 0.000 0.945 440 N CB 0.970 39.182 38.487 -0.458 0.000 1.147 440 N HN 0.376 nan 8.380 nan 0.000 0.495 441 M N 2.423 121.922 119.600 -0.168 0.000 2.319 441 M HA -0.034 4.438 4.480 -0.014 0.000 0.265 441 M C 1.905 178.062 176.300 -0.238 0.000 1.068 441 M CA 0.621 55.841 55.300 -0.133 0.000 1.118 441 M CB -1.490 31.078 32.600 -0.054 0.000 1.395 441 M HN 0.604 nan 8.290 nan 0.000 0.435 442 A N -0.408 122.267 122.820 -0.241 0.000 1.898 442 A HA -0.169 4.143 4.320 -0.014 0.000 0.216 442 A C 1.989 179.340 177.584 -0.389 0.000 1.181 442 A CA 1.436 53.288 52.037 -0.308 0.000 0.620 442 A CB -1.103 17.919 19.000 0.036 0.000 0.819 442 A HN 0.585 nan 8.150 nan 0.000 0.442 443 H N -1.021 117.825 119.070 -0.373 0.000 2.353 443 H HA -0.046 4.502 4.556 -0.014 0.000 0.300 443 H C 2.139 177.246 175.328 -0.370 0.000 1.090 443 H CA 0.980 56.780 56.048 -0.412 0.000 1.327 443 H CB -0.080 29.660 29.762 -0.038 0.000 1.383 443 H HN 0.370 nan 8.280 nan 0.000 0.508 444 L N 0.466 121.607 121.223 -0.137 0.000 2.012 444 L HA -0.244 4.088 4.340 -0.014 0.000 0.210 444 L C 2.328 179.056 176.870 -0.237 0.000 1.073 444 L CA 1.403 56.156 54.840 -0.146 0.000 0.748 444 L CB -0.445 41.555 42.059 -0.098 0.000 0.891 444 L HN 0.450 nan 8.230 nan 0.000 0.431 445 C N 0.031 119.085 119.300 -0.409 0.000 2.429 445 C HA -0.186 4.266 4.460 -0.014 0.000 0.277 445 C C 2.659 177.377 174.990 -0.454 0.000 1.262 445 C CA 0.708 59.394 59.018 -0.554 0.000 1.733 445 C CB -0.792 26.213 27.740 -1.225 0.000 2.010 445 C HN 0.520 nan 8.230 nan 0.000 0.483 446 I N 1.434 121.691 120.570 -0.522 0.000 2.179 446 I HA -0.198 3.964 4.170 -0.014 0.000 0.242 446 I C 2.762 178.737 176.117 -0.238 0.000 1.088 446 I CA 1.649 62.701 61.300 -0.413 0.000 1.357 446 I CB -0.604 37.010 38.000 -0.643 0.000 1.051 446 I HN 0.262 nan 8.210 nan 0.000 0.409 447 A N 0.589 123.236 122.820 -0.288 0.000 1.908 447 A HA -0.136 4.175 4.320 -0.014 0.000 0.218 447 A C 2.215 179.850 177.584 0.085 0.000 1.181 447 A CA 2.021 53.923 52.037 -0.226 0.000 0.627 447 A CB -1.221 17.455 19.000 -0.539 0.000 0.818 447 A HN 0.493 nan 8.150 nan 0.000 0.445 448 G N -1.356 107.425 108.800 -0.031 0.000 3.337 448 G HA2 0.425 4.377 3.960 -0.014 0.000 0.246 448 G HA3 0.425 4.377 3.960 -0.014 0.000 0.246 448 G C 0.070 174.804 174.900 -0.276 0.000 1.131 448 G CA 0.493 45.456 45.100 -0.228 0.000 0.773 448 G HN 0.342 nan 8.290 nan 0.000 0.544 449 S N -0.270 115.326 115.700 -0.173 0.000 2.536 449 S HA 0.316 4.778 4.470 -0.014 0.000 0.298 449 S C 0.773 175.320 174.600 -0.087 0.000 1.083 449 S CA -0.708 57.416 58.200 -0.127 0.000 0.995 449 S CB 1.286 64.415 63.200 -0.117 0.000 1.058 449 S HN 0.499 nan 8.310 nan 0.000 0.488 450 H N 0.086 119.119 119.070 -0.062 0.000 2.548 450 H HA 0.450 4.997 4.556 -0.014 0.000 0.268 450 H C 0.154 175.467 175.328 -0.025 0.000 0.975 450 H CA 0.359 56.397 56.048 -0.017 0.000 1.195 450 H CB 0.143 29.911 29.762 0.011 0.000 1.397 450 H HN 0.504 nan 8.280 nan 0.000 0.572 451 A N 1.070 123.586 122.820 -0.506 0.000 2.455 451 A HA 0.554 4.866 4.320 -0.014 0.000 0.300 451 A C -1.378 176.004 177.584 -0.336 0.000 1.040 451 A CA -0.585 51.206 52.037 -0.410 0.000 0.697 451 A CB 2.236 20.950 19.000 -0.478 0.000 1.265 451 A HN 0.098 nan 8.150 nan 0.000 0.407 452 V N 4.311 123.992 119.914 -0.388 0.000 2.483 452 V HA 0.517 4.629 4.120 -0.014 0.000 0.297 452 V C -0.754 175.151 176.094 -0.316 0.000 1.027 452 V CA -0.787 61.277 62.300 -0.393 0.000 0.855 452 V CB 1.756 33.184 31.823 -0.658 0.000 0.995 452 V HN 1.002 nan 8.190 nan 0.000 0.424 453 N N 3.265 121.800 118.700 -0.274 0.000 2.240 453 N HA 0.606 5.338 4.740 -0.014 0.000 0.302 453 N C -0.229 175.181 175.510 -0.168 0.000 1.106 453 N CA -0.378 52.553 53.050 -0.197 0.000 0.778 453 N CB 2.862 41.209 38.487 -0.235 0.000 1.431 453 N HN 0.624 nan 8.380 nan 0.000 0.479 454 G N -0.714 108.023 108.800 -0.105 0.000 2.535 454 G HA2 0.424 4.376 3.960 -0.014 0.000 0.303 454 G HA3 0.424 4.376 3.960 -0.014 0.000 0.303 454 G C 0.734 175.693 174.900 0.098 0.000 1.237 454 G CA -0.482 44.611 45.100 -0.013 0.000 0.986 454 G HN 0.637 nan 8.290 nan 0.000 0.494 455 V N -3.836 116.250 119.914 0.287 0.000 3.427 455 V HA 0.702 4.814 4.120 -0.014 0.000 0.305 455 V C 0.547 176.718 176.094 0.129 0.000 1.412 455 V CA 0.403 62.781 62.300 0.130 0.000 1.086 455 V CB -0.706 31.134 31.823 0.028 0.000 0.964 455 V HN 1.313 nan 8.190 nan 0.000 0.439 456 A N -0.044 122.865 122.820 0.149 0.000 2.608 456 A HA 0.656 4.968 4.320 -0.014 0.000 0.292 456 A C 0.689 178.324 177.584 0.084 0.000 1.066 456 A CA -0.131 51.972 52.037 0.110 0.000 0.676 456 A CB 1.249 20.303 19.000 0.090 0.000 1.277 456 A HN 0.014 nan 8.150 nan 0.000 0.413 457 R N 0.606 121.136 120.500 0.050 0.000 2.083 457 R HA -0.139 4.193 4.340 -0.014 0.000 0.237 457 R C 1.653 177.954 176.300 0.000 0.000 1.137 457 R CA 2.216 58.324 56.100 0.012 0.000 0.951 457 R CB -0.225 30.076 30.300 0.003 0.000 0.851 457 R HN 0.814 nan 8.270 nan 0.000 0.434 458 I N 0.311 120.890 120.570 0.014 0.000 2.286 458 I HA -0.289 3.873 4.170 -0.014 0.000 0.248 458 I C 2.313 178.441 176.117 0.019 0.000 1.115 458 I CA 1.741 63.041 61.300 0.001 0.000 1.392 458 I CB -0.213 37.785 38.000 -0.003 0.000 1.065 458 I HN 0.338 nan 8.210 nan 0.000 0.418 459 H N 0.337 119.379 119.070 -0.046 0.000 2.326 459 H HA -0.121 4.427 4.556 -0.014 0.000 0.301 459 H C 2.278 177.573 175.328 -0.055 0.000 1.081 459 H CA 2.219 58.234 56.048 -0.054 0.000 1.334 459 H CB -0.286 29.449 29.762 -0.045 0.000 1.385 459 H HN 0.234 nan 8.280 nan 0.000 0.504 460 S N 0.402 115.987 115.700 -0.191 0.000 2.382 460 S HA -0.123 4.338 4.470 -0.014 0.000 0.228 460 S C 1.894 176.379 174.600 -0.192 0.000 1.027 460 S CA 1.192 59.259 58.200 -0.221 0.000 0.991 460 S CB -0.070 63.070 63.200 -0.100 0.000 0.823 460 S HN 0.480 nan 8.310 nan 0.000 0.469 461 E N 1.191 121.299 120.200 -0.153 0.000 2.072 461 E HA 0.001 4.342 4.350 -0.014 0.000 0.191 461 E C 2.015 178.504 176.600 -0.184 0.000 0.985 461 E CA 0.645 56.946 56.400 -0.166 0.000 0.801 461 E CB -0.369 29.264 29.700 -0.113 0.000 0.750 461 E HN 0.508 nan 8.360 nan 0.000 0.452 462 I N 0.955 121.430 120.570 -0.158 0.000 2.286 462 I HA -0.269 3.893 4.170 -0.014 0.000 0.248 462 I C 2.384 178.376 176.117 -0.209 0.000 1.115 462 I CA 0.756 61.965 61.300 -0.150 0.000 1.392 462 I CB -0.212 37.733 38.000 -0.091 0.000 1.065 462 I HN 0.060 nan 8.210 nan 0.000 0.418 463 L N 0.369 121.429 121.223 -0.270 0.000 2.046 463 L HA -0.234 4.098 4.340 -0.014 0.000 0.208 463 L C 2.487 179.242 176.870 -0.192 0.000 1.077 463 L CA 1.590 56.282 54.840 -0.247 0.000 0.747 463 L CB -0.572 41.411 42.059 -0.126 0.000 0.896 463 L HN 0.199 nan 8.230 nan 0.000 0.432 464 K N -0.145 120.069 120.400 -0.309 0.000 2.155 464 K HA -0.115 4.197 4.320 -0.014 0.000 0.203 464 K C 2.048 178.441 176.600 -0.346 0.000 1.052 464 K CA 0.940 56.900 56.287 -0.545 0.000 0.948 464 K CB 0.069 32.003 32.500 -0.943 0.000 0.728 464 K HN 0.263 nan 8.250 nan 0.000 0.448 465 K N -0.118 120.139 120.400 -0.237 0.000 2.284 465 K HA -0.020 4.292 4.320 -0.014 0.000 0.198 465 K C 1.895 178.439 176.600 -0.094 0.000 1.048 465 K CA 1.355 57.556 56.287 -0.144 0.000 0.987 465 K CB 0.509 32.934 32.500 -0.125 0.000 0.800 465 K HN 0.262 nan 8.250 nan 0.000 0.486 466 T N -1.306 113.183 114.554 -0.109 0.000 3.257 466 T HA 0.063 4.405 4.350 -0.014 0.000 0.176 466 T C 1.937 176.592 174.700 -0.074 0.000 0.892 466 T CA -0.016 62.034 62.100 -0.083 0.000 1.147 466 T CB -0.757 68.056 68.868 -0.091 0.000 1.840 466 T HN 0.106 nan 8.240 nan 0.000 0.375 467 I N -0.945 119.522 120.570 -0.172 0.000 2.394 467 I HA 0.226 4.388 4.170 -0.014 0.000 0.251 467 I C 1.489 177.597 176.117 -0.015 0.000 1.136 467 I CA 1.338 62.520 61.300 -0.197 0.000 1.425 467 I CB -0.602 37.143 38.000 -0.424 0.000 1.079 467 I HN 0.246 nan 8.210 nan 0.000 0.425 468 F N 1.039 121.061 119.950 0.120 0.000 2.708 468 F HA 0.323 4.841 4.527 -0.014 0.000 0.300 468 F C 2.072 177.963 175.800 0.151 0.000 1.118 468 F CA -0.619 57.520 58.000 0.231 0.000 1.307 468 F CB 0.113 39.260 39.000 0.244 0.000 0.986 468 F HN -0.062 nan 8.300 nan 0.000 0.522 469 K N 1.134 121.647 120.400 0.188 0.000 2.044 469 K HA -0.228 4.084 4.320 -0.014 0.000 0.210 469 K C 1.305 177.961 176.600 0.092 0.000 1.049 469 K CA 2.256 58.594 56.287 0.085 0.000 0.927 469 K CB -0.055 32.460 32.500 0.026 0.000 0.713 469 K HN 0.150 nan 8.250 nan 0.000 0.443 470 D N -0.062 120.372 120.400 0.056 0.000 2.123 470 D HA -0.162 4.470 4.640 -0.014 0.000 0.196 470 D C 1.832 178.036 176.300 -0.160 0.000 0.992 470 D CA 1.265 55.166 54.000 -0.165 0.000 0.833 470 D CB -0.339 40.268 40.800 -0.321 0.000 0.954 470 D HN 0.254 nan 8.370 nan 0.000 0.455 471 F N -0.136 119.879 119.950 0.109 0.000 2.146 471 F HA -0.158 4.361 4.527 -0.014 0.000 0.298 471 F C 2.372 178.300 175.800 0.214 0.000 1.096 471 F CA 0.606 58.749 58.000 0.238 0.000 1.275 471 F CB -0.738 38.481 39.000 0.366 0.000 1.008 471 F HN -0.029 nan 8.300 nan 0.000 0.480 472 Y N 1.373 121.623 120.300 -0.084 0.000 2.224 472 Y HA -0.219 4.322 4.550 -0.014 0.000 0.289 472 Y C 2.132 178.006 175.900 -0.043 0.000 1.146 472 Y CA 1.709 59.571 58.100 -0.397 0.000 1.182 472 Y CB -0.612 37.438 38.460 -0.683 0.000 0.983 472 Y HN 0.145 nan 8.280 nan 0.000 0.524 473 E N -0.441 119.703 120.200 -0.093 0.000 2.106 473 E HA -0.190 4.152 4.350 -0.014 0.000 0.192 473 E C 2.000 178.663 176.600 0.105 0.000 0.984 473 E CA 1.143 57.511 56.400 -0.053 0.000 0.806 473 E CB -0.264 29.451 29.700 0.024 0.000 0.750 473 E HN 0.426 nan 8.360 nan 0.000 0.458 474 L N 1.001 122.319 121.223 0.159 0.000 2.044 474 L HA -0.069 4.262 4.340 -0.014 0.000 0.205 474 L C 0.261 177.220 176.870 0.148 0.000 1.075 474 L CA 1.720 56.691 54.840 0.219 0.000 0.747 474 L CB 0.335 42.508 42.059 0.190 0.000 0.903 474 L HN -0.088 nan 8.230 nan 0.000 0.435 475 E N -0.334 119.948 120.200 0.138 0.000 3.386 475 E HA 0.179 4.520 4.350 -0.014 0.000 0.236 475 E C -2.010 174.539 176.600 -0.084 0.000 1.227 475 E CA -1.227 55.187 56.400 0.022 0.000 0.970 475 E CB 0.810 30.517 29.700 0.013 0.000 1.343 475 E HN 0.196 nan 8.360 nan 0.000 0.397 476 P HA -0.241 nan 4.420 nan 0.000 0.218 476 P C 1.246 178.634 177.300 0.146 0.000 1.149 476 P CA 1.356 64.347 63.100 -0.181 0.000 0.817 476 P CB -0.067 31.405 31.700 -0.380 0.000 0.785 477 H N 0.353 119.519 119.070 0.161 0.000 2.489 477 H HA 0.023 4.571 4.556 -0.014 0.000 0.293 477 H C 1.422 176.844 175.328 0.155 0.000 1.066 477 H CA 0.887 57.024 56.048 0.148 0.000 1.305 477 H CB -0.755 29.066 29.762 0.098 0.000 1.386 477 H HN 0.167 nan 8.280 nan 0.000 0.551 478 K N 0.297 120.571 120.400 -0.210 0.000 2.217 478 K HA 0.023 4.334 4.320 -0.014 0.000 0.202 478 K C -0.112 176.353 176.600 -0.225 0.000 1.051 478 K CA 0.325 56.482 56.287 -0.216 0.000 0.952 478 K CB 0.075 32.334 32.500 -0.402 0.000 0.736 478 K HN 0.128 nan 8.250 nan 0.000 0.453 479 F N 1.864 121.842 119.950 0.046 0.000 2.424 479 F HA 0.175 4.694 4.527 -0.014 0.000 0.356 479 F C 0.475 176.284 175.800 0.015 0.000 1.110 479 F CA -0.283 57.753 58.000 0.060 0.000 1.161 479 F CB 0.933 40.033 39.000 0.168 0.000 1.115 479 F HN -0.114 nan 8.300 nan 0.000 0.507 480 Q N 1.931 121.762 119.800 0.051 0.000 2.528 480 Q HA 0.349 4.680 4.340 -0.014 0.000 0.289 480 Q C -1.094 174.869 176.000 -0.061 0.000 1.091 480 Q CA -1.243 54.544 55.803 -0.026 0.000 0.797 480 Q CB 3.086 31.753 28.738 -0.119 0.000 1.466 480 Q HN 0.607 nan 8.270 nan 0.000 0.436 481 N N 0.778 119.425 118.700 -0.087 0.000 2.361 481 N HA 0.259 4.991 4.740 -0.014 0.000 0.302 481 N C -1.388 174.026 175.510 -0.161 0.000 1.074 481 N CA -0.380 52.613 53.050 -0.095 0.000 0.850 481 N CB 0.954 39.407 38.487 -0.057 0.000 1.228 481 N HN 0.281 nan 8.380 nan 0.000 0.491 482 K N 2.737 123.042 120.400 -0.158 0.000 2.675 482 K HA 0.182 4.494 4.320 -0.014 0.000 0.224 482 K C -0.945 175.664 176.600 0.014 0.000 1.003 482 K CA -0.496 55.676 56.287 -0.191 0.000 1.034 482 K CB 1.261 33.422 32.500 -0.566 0.000 1.218 482 K HN 0.537 nan 8.250 nan 0.000 0.507 483 T N 2.153 116.733 114.554 0.045 0.000 2.902 483 T HA 0.048 4.389 4.350 -0.014 0.000 0.301 483 T C 0.800 175.629 174.700 0.214 0.000 1.012 483 T CA 0.366 62.543 62.100 0.128 0.000 1.151 483 T CB 0.264 69.210 68.868 0.130 0.000 0.946 483 T HN 0.362 nan 8.240 nan 0.000 0.542 484 N N 0.642 119.489 118.700 0.244 0.000 2.267 484 N HA 0.386 5.118 4.740 -0.014 0.000 0.226 484 N C 0.461 176.159 175.510 0.314 0.000 1.314 484 N CA -0.099 53.128 53.050 0.295 0.000 0.887 484 N CB 0.374 38.975 38.487 0.190 0.000 1.120 484 N HN 0.762 nan 8.380 nan 0.000 0.440 485 G N -0.617 108.376 108.800 0.322 0.000 2.649 485 G HA2 0.593 4.545 3.960 -0.014 0.000 0.290 485 G HA3 0.593 4.545 3.960 -0.014 0.000 0.290 485 G C -1.427 173.611 174.900 0.230 0.000 1.426 485 G CA -0.738 44.537 45.100 0.293 0.000 0.794 485 G HN 0.602 nan 8.290 nan 0.000 0.483 486 I N -2.377 118.314 120.570 0.202 0.000 2.934 486 I HA 0.767 4.929 4.170 -0.014 0.000 0.306 486 I C -0.227 176.049 176.117 0.266 0.000 1.110 486 I CA -0.969 60.446 61.300 0.191 0.000 1.019 486 I CB 2.452 40.463 38.000 0.018 0.000 1.227 486 I HN 0.500 nan 8.210 nan 0.000 0.434 487 T N 3.889 118.655 114.554 0.352 0.000 2.794 487 T HA 0.379 4.721 4.350 -0.014 0.000 0.296 487 T C -1.506 173.310 174.700 0.193 0.000 0.949 487 T CA -1.641 60.588 62.100 0.214 0.000 1.101 487 T CB 0.798 69.737 68.868 0.119 0.000 0.905 487 T HN 0.633 nan 8.240 nan 0.000 0.516 488 P HA 0.082 nan 4.420 nan 0.000 0.237 488 P C 1.027 178.291 177.300 -0.060 0.000 1.178 488 P CA 0.233 63.367 63.100 0.058 0.000 0.766 488 P CB 0.363 32.083 31.700 0.033 0.000 0.876 489 R N 0.518 120.938 120.500 -0.133 0.000 2.060 489 R HA 0.017 4.349 4.340 -0.014 0.000 0.225 489 R C 2.663 178.841 176.300 -0.202 0.000 1.155 489 R CA 1.517 57.499 56.100 -0.197 0.000 0.930 489 R CB -1.296 28.894 30.300 -0.183 0.000 0.829 489 R HN 0.024 nan 8.270 nan 0.000 0.433 490 R N -0.713 119.605 120.500 -0.304 0.000 2.091 490 R HA -0.148 4.184 4.340 -0.014 0.000 0.238 490 R C 1.134 177.080 176.300 -0.590 0.000 1.136 490 R CA 1.866 57.619 56.100 -0.579 0.000 0.959 490 R CB -0.210 29.519 30.300 -0.952 0.000 0.856 490 R HN 0.320 nan 8.270 nan 0.000 0.437 491 W N -0.618 120.637 121.300 -0.075 0.000 3.353 491 W HA 0.170 4.822 4.660 -0.015 0.000 0.304 491 W C 0.981 177.467 176.519 -0.056 0.000 1.273 491 W CA -0.737 56.561 57.345 -0.077 0.000 1.773 491 W CB 0.455 29.873 29.460 -0.070 0.000 1.095 491 W HN 0.223 nan 8.180 nan 0.000 0.676 492 L N -2.213 119.064 121.223 0.090 0.000 2.681 492 L HA 0.189 4.521 4.340 -0.014 0.000 0.163 492 L C 1.774 178.657 176.870 0.021 0.000 1.188 492 L CA 0.784 55.670 54.840 0.077 0.000 0.944 492 L CB -0.826 41.305 42.059 0.119 0.000 1.835 492 L HN -0.249 nan 8.230 nan 0.000 0.510 493 V N 1.006 120.907 119.914 -0.021 0.000 2.295 493 V HA -0.264 3.848 4.120 -0.014 0.000 0.246 493 V C 2.433 178.499 176.094 -0.047 0.000 1.049 493 V CA 2.419 64.700 62.300 -0.032 0.000 1.024 493 V CB -0.670 31.107 31.823 -0.077 0.000 0.648 493 V HN 0.500 nan 8.190 nan 0.000 0.447 494 L N 0.526 121.691 121.223 -0.096 0.000 2.005 494 L HA -0.200 4.132 4.340 -0.014 0.000 0.207 494 L C 2.518 179.325 176.870 -0.106 0.000 1.072 494 L CA 2.497 57.265 54.840 -0.121 0.000 0.744 494 L CB -0.293 41.642 42.059 -0.207 0.000 0.895 494 L HN 0.657 nan 8.230 nan 0.000 0.433 495 C N -1.875 117.357 119.300 -0.114 0.000 2.533 495 C HA 0.191 4.643 4.460 -0.014 0.000 0.272 495 C C 1.242 176.215 174.990 -0.029 0.000 1.371 495 C CA -0.228 58.742 59.018 -0.081 0.000 1.758 495 C CB -1.006 26.687 27.740 -0.078 0.000 1.972 495 C HN 0.603 nan 8.230 nan 0.000 0.522 496 N N 1.198 119.892 118.700 -0.010 0.000 2.703 496 N HA 0.287 5.018 4.740 -0.014 0.000 0.283 496 N C -1.736 173.785 175.510 0.019 0.000 1.851 496 N CA -1.645 51.411 53.050 0.010 0.000 0.826 496 N CB 0.704 39.206 38.487 0.024 0.000 1.239 496 N HN 0.258 nan 8.380 nan 0.000 0.495 497 P HA -0.030 nan 4.420 nan 0.000 0.218 497 P C 1.402 178.718 177.300 0.027 0.000 1.149 497 P CA 0.855 63.966 63.100 0.019 0.000 0.817 497 P CB 0.235 31.939 31.700 0.007 0.000 0.785 498 G N 0.685 109.496 108.800 0.018 0.000 2.440 498 G HA2 -0.251 3.701 3.960 -0.014 0.000 0.218 498 G HA3 -0.251 3.701 3.960 -0.014 0.000 0.218 498 G C 1.530 176.440 174.900 0.016 0.000 1.154 498 G CA 0.663 45.772 45.100 0.014 0.000 0.767 498 G HN 0.238 nan 8.290 nan 0.000 0.552 499 L N 1.305 122.539 121.223 0.019 0.000 2.027 499 L HA 0.225 4.557 4.340 -0.014 0.000 0.206 499 L C 3.113 180.017 176.870 0.057 0.000 1.074 499 L CA 2.050 56.902 54.840 0.020 0.000 0.745 499 L CB -0.802 41.268 42.059 0.019 0.000 0.898 499 L HN 0.237 nan 8.230 nan 0.000 0.433 500 A N -0.773 122.103 122.820 0.092 0.000 1.917 500 A HA -0.287 4.025 4.320 -0.014 0.000 0.219 500 A C 2.257 179.944 177.584 0.173 0.000 1.182 500 A CA 1.972 54.119 52.037 0.182 0.000 0.633 500 A CB -0.717 18.377 19.000 0.155 0.000 0.819 500 A HN 0.553 nan 8.150 nan 0.000 0.448 501 E N 0.494 120.754 120.200 0.100 0.000 2.047 501 E HA -0.148 4.194 4.350 -0.014 0.000 0.191 501 E C 1.836 178.479 176.600 0.070 0.000 0.987 501 E CA 1.532 57.980 56.400 0.080 0.000 0.799 501 E CB -0.490 29.238 29.700 0.048 0.000 0.752 501 E HN 0.755 nan 8.360 nan 0.000 0.449 502 I N -1.859 118.747 120.570 0.061 0.000 2.493 502 I HA -0.101 4.061 4.170 -0.014 0.000 0.254 502 I C 2.055 178.250 176.117 0.130 0.000 1.160 502 I CA 0.975 62.324 61.300 0.082 0.000 1.445 502 I CB -0.284 37.744 38.000 0.046 0.000 1.086 502 I HN 0.016 nan 8.210 nan 0.000 0.433 503 I N 1.987 122.606 120.570 0.081 0.000 2.193 503 I HA -0.165 3.996 4.170 -0.014 0.000 0.240 503 I C 3.015 179.077 176.117 -0.091 0.000 1.084 503 I CA 1.314 62.578 61.300 -0.060 0.000 1.365 503 I CB -0.510 37.329 38.000 -0.268 0.000 1.064 503 I HN 0.281 nan 8.210 nan 0.000 0.410 504 A N 0.411 123.279 122.820 0.080 0.000 1.978 504 A HA -0.243 4.068 4.320 -0.014 0.000 0.220 504 A C 2.166 179.782 177.584 0.054 0.000 1.170 504 A CA 1.728 53.865 52.037 0.167 0.000 0.636 504 A CB -0.641 18.491 19.000 0.219 0.000 0.810 504 A HN 0.459 nan 8.150 nan 0.000 0.448 505 E N -0.707 119.506 120.200 0.021 0.000 2.160 505 E HA -0.198 4.144 4.350 -0.014 0.000 0.195 505 E C 2.240 178.805 176.600 -0.059 0.000 0.991 505 E CA 1.178 57.576 56.400 -0.004 0.000 0.810 505 E CB -0.058 29.647 29.700 0.008 0.000 0.742 505 E HN 0.519 nan 8.360 nan 0.000 0.466 506 R N 0.104 120.506 120.500 -0.163 0.000 2.128 506 R HA 0.078 4.410 4.340 -0.014 0.000 0.211 506 R C 2.260 178.464 176.300 -0.160 0.000 1.067 506 R CA 0.843 56.768 56.100 -0.292 0.000 1.010 506 R CB -0.116 29.662 30.300 -0.870 0.000 0.922 506 R HN 0.317 nan 8.270 nan 0.000 0.457 507 I N -3.052 117.441 120.570 -0.128 0.000 4.147 507 I HA 0.439 4.601 4.170 -0.014 0.000 0.329 507 I C 0.397 176.548 176.117 0.058 0.000 1.424 507 I CA -0.002 61.277 61.300 -0.036 0.000 1.127 507 I CB 0.924 38.879 38.000 -0.076 0.000 1.128 507 I HN 0.166 nan 8.210 nan 0.000 0.417 508 G N 1.993 110.839 108.800 0.077 0.000 2.725 508 G HA2 -0.229 3.722 3.960 -0.014 0.000 0.220 508 G HA3 -0.229 3.722 3.960 -0.014 0.000 0.220 508 G C -0.008 175.021 174.900 0.214 0.000 1.357 508 G CA 0.249 45.417 45.100 0.113 0.000 0.866 508 G HN 0.444 nan 8.290 nan 0.000 0.548 509 E N -0.396 119.882 120.200 0.129 0.000 2.460 509 E HA 0.068 4.409 4.350 -0.014 0.000 0.200 509 E C 1.965 178.518 176.600 -0.078 0.000 1.011 509 E CA 0.011 56.432 56.400 0.035 0.000 0.912 509 E CB 0.168 29.881 29.700 0.021 0.000 0.953 509 E HN 0.484 nan 8.360 nan 0.000 0.494 510 E N 0.481 120.702 120.200 0.036 0.000 2.209 510 E HA -0.197 4.144 4.350 -0.014 0.000 0.196 510 E C 1.788 178.379 176.600 -0.014 0.000 0.993 510 E CA 0.947 57.359 56.400 0.021 0.000 0.819 510 E CB -0.093 29.642 29.700 0.059 0.000 0.745 510 E HN 0.525 nan 8.360 nan 0.000 0.477 511 Y N -0.772 119.530 120.300 0.004 0.000 2.403 511 Y HA -0.073 4.470 4.550 -0.012 0.000 0.291 511 Y C 1.973 177.848 175.900 -0.042 0.000 1.143 511 Y CA 0.625 58.718 58.100 -0.011 0.000 1.257 511 Y CB -0.795 37.661 38.460 -0.006 0.000 0.984 511 Y HN -0.086 nan 8.280 nan 0.000 0.550 512 I N 0.916 121.007 120.570 -0.799 0.000 2.454 512 I HA -0.234 3.928 4.170 -0.014 0.000 0.254 512 I C 1.752 177.604 176.117 -0.441 0.000 1.156 512 I CA 1.816 62.684 61.300 -0.719 0.000 1.433 512 I CB -0.362 37.120 38.000 -0.863 0.000 1.082 512 I HN 0.491 nan 8.210 nan 0.000 0.432 513 S N -2.183 113.366 115.700 -0.251 0.000 2.663 513 S HA 0.171 4.633 4.470 -0.014 0.000 0.243 513 S C 0.164 174.745 174.600 -0.032 0.000 1.009 513 S CA -0.493 57.639 58.200 -0.113 0.000 0.988 513 S CB 0.309 63.507 63.200 -0.003 0.000 0.896 513 S HN 0.263 nan 8.310 nan 0.000 0.502 514 D N 0.784 121.174 120.400 -0.016 0.000 2.978 514 D HA 0.252 4.884 4.640 -0.014 0.000 0.268 514 D C 0.408 176.748 176.300 0.066 0.000 1.252 514 D CA -0.386 53.630 54.000 0.026 0.000 0.771 514 D CB 0.468 41.289 40.800 0.034 0.000 1.361 514 D HN 0.123 nan 8.370 nan 0.000 0.558 515 L N 1.105 122.367 121.223 0.065 0.000 2.265 515 L HA -0.028 4.304 4.340 -0.014 0.000 0.215 515 L C 1.398 178.320 176.870 0.087 0.000 1.117 515 L CA 1.551 56.460 54.840 0.115 0.000 0.782 515 L CB -0.069 42.050 42.059 0.100 0.000 0.914 515 L HN 0.230 nan 8.230 nan 0.000 0.441 516 D N -0.713 119.714 120.400 0.045 0.000 2.265 516 D HA -0.221 4.411 4.640 -0.014 0.000 0.208 516 D C 1.967 178.287 176.300 0.034 0.000 0.977 516 D CA 0.831 54.843 54.000 0.021 0.000 0.871 516 D CB 0.025 40.825 40.800 -0.000 0.000 0.925 516 D HN 0.550 nan 8.370 nan 0.000 0.485 517 Q N -0.059 119.778 119.800 0.062 0.000 2.364 517 Q HA -0.068 4.264 4.340 -0.014 0.000 0.209 517 Q C 2.293 178.311 176.000 0.029 0.000 0.977 517 Q CA 0.289 56.129 55.803 0.062 0.000 0.885 517 Q CB -0.015 28.789 28.738 0.111 0.000 0.941 517 Q HN 0.396 nan 8.270 nan 0.000 0.464 518 L N 0.219 121.454 121.223 0.020 0.000 2.261 518 L HA -0.215 4.116 4.340 -0.014 0.000 0.216 518 L C 2.307 179.170 176.870 -0.012 0.000 1.114 518 L CA 0.946 55.763 54.840 -0.038 0.000 0.777 518 L CB -0.425 41.625 42.059 -0.016 0.000 0.910 518 L HN 0.236 nan 8.230 nan 0.000 0.440 519 R N 0.400 120.905 120.500 0.007 0.000 2.139 519 R HA -0.207 4.125 4.340 -0.014 0.000 0.243 519 R C 2.137 178.443 176.300 0.010 0.000 1.145 519 R CA 1.264 57.370 56.100 0.010 0.000 0.976 519 R CB -0.307 29.997 30.300 0.006 0.000 0.866 519 R HN 0.428 nan 8.270 nan 0.000 0.449 520 K N 0.645 121.051 120.400 0.009 0.000 2.211 520 K HA -0.124 4.188 4.320 -0.014 0.000 0.204 520 K C 1.971 178.614 176.600 0.070 0.000 1.047 520 K CA 0.961 57.264 56.287 0.027 0.000 0.935 520 K CB -0.155 32.364 32.500 0.033 0.000 0.728 520 K HN 0.239 nan 8.250 nan 0.000 0.452 521 L N 0.536 121.777 121.223 0.030 0.000 2.362 521 L HA -0.165 4.167 4.340 -0.014 0.000 0.219 521 L C 1.944 178.876 176.870 0.102 0.000 1.134 521 L CA 0.166 55.031 54.840 0.041 0.000 0.807 521 L CB -0.347 41.698 42.059 -0.023 0.000 0.927 521 L HN 0.136 nan 8.230 nan 0.000 0.447 522 L N 0.164 121.421 121.223 0.056 0.000 2.127 522 L HA -0.192 4.140 4.340 -0.014 0.000 0.211 522 L C 2.688 179.553 176.870 -0.007 0.000 1.089 522 L CA 1.975 56.836 54.840 0.034 0.000 0.757 522 L CB -1.013 41.053 42.059 0.012 0.000 0.899 522 L HN 0.371 nan 8.230 nan 0.000 0.434 523 S N -2.857 112.801 115.700 -0.071 0.000 2.607 523 S HA -0.055 4.407 4.470 -0.014 0.000 0.224 523 S C 1.219 175.563 174.600 -0.426 0.000 0.969 523 S CA 0.129 58.189 58.200 -0.234 0.000 0.927 523 S CB -0.519 62.505 63.200 -0.294 0.000 0.772 523 S HN 0.457 nan 8.310 nan 0.000 0.533 524 Y N -0.392 119.839 120.300 -0.115 0.000 2.531 524 Y HA 0.426 4.974 4.550 -0.003 0.000 0.249 524 Y C 1.933 177.868 175.900 0.059 0.000 1.168 524 Y CA -0.545 57.485 58.100 -0.116 0.000 1.226 524 Y CB 0.204 38.384 38.460 -0.466 0.000 1.177 524 Y HN 0.254 nan 8.280 nan 0.000 0.527 525 V N 0.399 120.402 119.914 0.149 0.000 2.720 525 V HA -0.209 3.902 4.120 -0.014 0.000 0.256 525 V C 0.895 177.058 176.094 0.114 0.000 1.082 525 V CA 2.153 64.542 62.300 0.148 0.000 1.101 525 V CB -0.026 31.846 31.823 0.082 0.000 0.693 525 V HN 0.347 nan 8.190 nan 0.000 0.479 526 D N -0.630 119.817 120.400 0.077 0.000 2.402 526 D HA 0.123 4.754 4.640 -0.014 0.000 0.216 526 D C 0.282 176.626 176.300 0.074 0.000 1.128 526 D CA -0.003 54.031 54.000 0.057 0.000 0.833 526 D CB 0.152 40.963 40.800 0.019 0.000 0.971 526 D HN 0.438 nan 8.370 nan 0.000 0.503 527 D N 1.415 121.895 120.400 0.133 0.000 2.339 527 D HA -0.007 4.624 4.640 -0.014 0.000 0.241 527 D C 1.111 177.517 176.300 0.177 0.000 1.183 527 D CA -0.078 54.022 54.000 0.167 0.000 0.859 527 D CB 1.657 42.626 40.800 0.281 0.000 1.067 527 D HN -0.191 nan 8.370 nan 0.000 0.484 528 E N 3.190 123.458 120.200 0.114 0.000 2.110 528 E HA -0.143 4.198 4.350 -0.014 0.000 0.193 528 E C 1.766 178.420 176.600 0.091 0.000 0.988 528 E CA 1.402 57.853 56.400 0.085 0.000 0.804 528 E CB 0.006 29.739 29.700 0.055 0.000 0.745 528 E HN 0.598 nan 8.360 nan 0.000 0.458 529 A N -0.258 122.632 122.820 0.116 0.000 1.877 529 A HA -0.151 4.160 4.320 -0.014 0.000 0.216 529 A C 2.223 179.893 177.584 0.144 0.000 1.186 529 A CA 1.373 53.476 52.037 0.111 0.000 0.620 529 A CB -0.974 18.096 19.000 0.115 0.000 0.822 529 A HN 0.447 nan 8.150 nan 0.000 0.443 530 F N 0.405 120.376 119.950 0.036 0.000 2.134 530 F HA -0.150 4.370 4.527 -0.013 0.000 0.299 530 F C 2.050 177.858 175.800 0.014 0.000 1.097 530 F CA 1.626 59.632 58.000 0.010 0.000 1.264 530 F CB -0.127 38.890 39.000 0.029 0.000 1.001 530 F HN 0.168 nan 8.300 nan 0.000 0.479 531 I N 0.233 120.828 120.570 0.042 0.000 2.151 531 I HA -0.382 3.780 4.170 -0.014 0.000 0.243 531 I C 2.603 178.664 176.117 -0.095 0.000 1.080 531 I CA 1.815 63.086 61.300 -0.048 0.000 1.339 531 I CB -0.529 37.492 38.000 0.035 0.000 1.039 531 I HN 0.104 nan 8.210 nan 0.000 0.409 532 R N 0.741 121.213 120.500 -0.047 0.000 2.096 532 R HA -0.189 4.143 4.340 -0.014 0.000 0.235 532 R C 1.856 178.105 176.300 -0.085 0.000 1.127 532 R CA 1.836 57.906 56.100 -0.049 0.000 0.968 532 R CB -0.101 30.189 30.300 -0.015 0.000 0.861 532 R HN 0.308 nan 8.270 nan 0.000 0.440 533 D N -0.396 119.933 120.400 -0.119 0.000 2.123 533 D HA -0.107 4.525 4.640 -0.014 0.000 0.200 533 D C 1.935 178.106 176.300 -0.215 0.000 0.976 533 D CA 1.130 55.046 54.000 -0.140 0.000 0.831 533 D CB -0.150 40.584 40.800 -0.111 0.000 0.974 533 D HN 0.062 nan 8.370 nan 0.000 0.469 534 V N 1.575 121.263 119.914 -0.377 0.000 2.287 534 V HA -0.265 3.846 4.120 -0.014 0.000 0.248 534 V C 2.547 178.547 176.094 -0.157 0.000 1.053 534 V CA 1.980 64.075 62.300 -0.341 0.000 1.027 534 V CB -0.880 30.658 31.823 -0.476 0.000 0.646 534 V HN 0.188 nan 8.190 nan 0.000 0.447 535 A N -0.526 122.223 122.820 -0.119 0.000 1.933 535 A HA -0.265 4.047 4.320 -0.014 0.000 0.218 535 A C 2.363 179.911 177.584 -0.060 0.000 1.175 535 A CA 2.163 54.164 52.037 -0.060 0.000 0.628 535 A CB -0.490 18.479 19.000 -0.052 0.000 0.814 535 A HN 0.535 nan 8.150 nan 0.000 0.444 536 K N -0.253 120.106 120.400 -0.068 0.000 2.057 536 K HA -0.079 4.232 4.320 -0.014 0.000 0.206 536 K C 1.823 178.396 176.600 -0.044 0.000 1.050 536 K CA 1.535 57.791 56.287 -0.051 0.000 0.935 536 K CB -0.243 32.229 32.500 -0.046 0.000 0.715 536 K HN 0.241 nan 8.250 nan 0.000 0.439 537 V N 1.705 121.587 119.914 -0.053 0.000 2.343 537 V HA -0.239 3.873 4.120 -0.014 0.000 0.247 537 V C 2.367 178.447 176.094 -0.024 0.000 1.051 537 V CA 1.942 64.220 62.300 -0.036 0.000 1.036 537 V CB -0.459 31.336 31.823 -0.046 0.000 0.654 537 V HN 0.342 nan 8.190 nan 0.000 0.451 538 K N 0.495 120.879 120.400 -0.027 0.000 2.032 538 K HA -0.239 4.073 4.320 -0.014 0.000 0.209 538 K C 2.191 178.766 176.600 -0.042 0.000 1.048 538 K CA 1.880 58.157 56.287 -0.016 0.000 0.927 538 K CB -0.551 31.955 32.500 0.009 0.000 0.712 538 K HN 0.368 nan 8.250 nan 0.000 0.441 539 Q N 0.979 120.748 119.800 -0.052 0.000 2.096 539 Q HA -0.142 4.190 4.340 -0.014 0.000 0.204 539 Q C 1.754 177.735 176.000 -0.032 0.000 0.982 539 Q CA 2.107 57.871 55.803 -0.065 0.000 0.850 539 Q CB -0.135 28.570 28.738 -0.057 0.000 0.901 539 Q HN 0.507 nan 8.270 nan 0.000 0.422 540 E N -0.457 119.736 120.200 -0.013 0.000 2.058 540 E HA -0.198 4.143 4.350 -0.014 0.000 0.194 540 E C 1.803 178.426 176.600 0.038 0.000 0.997 540 E CA 1.138 57.545 56.400 0.012 0.000 0.801 540 E CB -0.153 29.552 29.700 0.008 0.000 0.746 540 E HN 0.411 nan 8.360 nan 0.000 0.450 541 N N 0.974 119.694 118.700 0.033 0.000 2.120 541 N HA -0.146 4.585 4.740 -0.014 0.000 0.188 541 N C 1.560 177.146 175.510 0.127 0.000 1.024 541 N CA 1.119 54.209 53.050 0.066 0.000 0.852 541 N CB -0.140 38.370 38.487 0.038 0.000 1.003 541 N HN 0.148 nan 8.380 nan 0.000 0.424 542 K N 0.568 121.002 120.400 0.058 0.000 2.057 542 K HA 0.005 4.316 4.320 -0.014 0.000 0.207 542 K C 2.136 178.859 176.600 0.205 0.000 1.049 542 K CA 0.664 56.993 56.287 0.071 0.000 0.931 542 K CB -0.177 32.095 32.500 -0.381 0.000 0.714 542 K HN 0.112 nan 8.250 nan 0.000 0.440 543 L N 1.240 122.530 121.223 0.112 0.000 2.017 543 L HA -0.207 4.125 4.340 -0.014 0.000 0.208 543 L C 2.649 179.617 176.870 0.162 0.000 1.073 543 L CA 1.359 56.273 54.840 0.124 0.000 0.745 543 L CB -0.374 41.727 42.059 0.069 0.000 0.894 543 L HN 0.173 nan 8.230 nan 0.000 0.432 544 K N -0.239 120.259 120.400 0.164 0.000 2.063 544 K HA -0.248 4.064 4.320 -0.014 0.000 0.208 544 K C 2.206 178.963 176.600 0.263 0.000 1.048 544 K CA 1.715 58.109 56.287 0.179 0.000 0.928 544 K CB -0.189 32.401 32.500 0.150 0.000 0.713 544 K HN 0.082 nan 8.250 nan 0.000 0.442 545 F N 1.123 121.177 119.950 0.173 0.000 2.186 545 F HA -0.038 4.481 4.527 -0.014 0.000 0.299 545 F C 2.023 177.981 175.800 0.263 0.000 1.090 545 F CA 1.200 59.332 58.000 0.219 0.000 1.307 545 F CB -0.417 38.715 39.000 0.221 0.000 1.019 545 F HN 0.090 nan 8.300 nan 0.000 0.489 546 A N 0.062 123.046 122.820 0.273 0.000 1.972 546 A HA -0.058 4.254 4.320 -0.014 0.000 0.219 546 A C 2.353 179.973 177.584 0.059 0.000 1.169 546 A CA 1.692 53.820 52.037 0.151 0.000 0.635 546 A CB -1.386 17.770 19.000 0.260 0.000 0.810 546 A HN 0.439 nan 8.150 nan 0.000 0.446 547 A N -1.825 121.050 122.820 0.092 0.000 1.970 547 A HA 0.016 4.328 4.320 -0.014 0.000 0.216 547 A C 2.059 179.668 177.584 0.042 0.000 1.170 547 A CA 1.301 53.378 52.037 0.067 0.000 0.645 547 A CB -0.692 18.361 19.000 0.087 0.000 0.816 547 A HN 0.704 nan 8.150 nan 0.000 0.447 548 Y N 0.580 120.833 120.300 -0.079 0.000 2.224 548 Y HA -0.153 4.389 4.550 -0.014 0.000 0.289 548 Y C 1.868 177.683 175.900 -0.141 0.000 1.146 548 Y CA 1.804 59.839 58.100 -0.108 0.000 1.182 548 Y CB -0.171 38.217 38.460 -0.120 0.000 0.983 548 Y HN 0.212 nan 8.280 nan 0.000 0.524 549 L N -0.107 120.996 121.223 -0.201 0.000 2.093 549 L HA -0.175 4.157 4.340 -0.014 0.000 0.208 549 L C 2.372 179.165 176.870 -0.128 0.000 1.085 549 L CA 1.530 56.252 54.840 -0.197 0.000 0.755 549 L CB -0.478 41.431 42.059 -0.248 0.000 0.904 549 L HN 0.305 nan 8.230 nan 0.000 0.435 550 E N -0.092 120.050 120.200 -0.097 0.000 2.028 550 E HA -0.192 4.150 4.350 -0.014 0.000 0.191 550 E C 2.340 178.883 176.600 -0.095 0.000 0.988 550 E CA 0.949 57.314 56.400 -0.058 0.000 0.799 550 E CB 0.021 29.731 29.700 0.015 0.000 0.755 550 E HN 0.399 nan 8.360 nan 0.000 0.447 551 R N 0.756 121.179 120.500 -0.129 0.000 2.082 551 R HA -0.153 4.178 4.340 -0.014 0.000 0.234 551 R C 2.097 178.246 176.300 -0.252 0.000 1.136 551 R CA 1.451 57.459 56.100 -0.154 0.000 0.935 551 R CB -0.139 30.082 30.300 -0.132 0.000 0.842 551 R HN 0.009 nan 8.270 nan 0.000 0.430 552 E N -1.455 118.483 120.200 -0.438 0.000 2.478 552 E HA -0.033 4.309 4.350 -0.014 0.000 0.194 552 E C 0.107 176.210 176.600 -0.827 0.000 1.045 552 E CA 0.685 56.692 56.400 -0.654 0.000 0.868 552 E CB 0.470 29.609 29.700 -0.935 0.000 0.885 552 E HN 0.364 nan 8.360 nan 0.000 0.505 553 Y N -0.852 119.305 120.300 -0.239 0.000 2.729 553 Y HA 0.209 4.751 4.550 -0.014 0.000 0.266 553 Y C -0.064 175.749 175.900 -0.146 0.000 1.064 553 Y CA -0.599 57.404 58.100 -0.163 0.000 1.251 553 Y CB 0.879 39.246 38.460 -0.155 0.000 1.379 553 Y HN -0.261 nan 8.280 nan 0.000 0.569 554 K N 0.371 120.740 120.400 -0.050 0.000 3.035 554 K HA -0.139 4.172 4.320 -0.014 0.000 0.262 554 K C -0.365 176.096 176.600 -0.231 0.000 1.024 554 K CA 0.903 57.136 56.287 -0.090 0.000 0.748 554 K CB -2.409 30.061 32.500 -0.052 0.000 1.247 554 K HN 0.271 nan 8.250 nan 0.000 0.482 555 V N -2.348 117.429 119.914 -0.229 0.000 2.581 555 V HA 0.574 4.685 4.120 -0.014 0.000 0.303 555 V C 0.190 176.095 176.094 -0.315 0.000 1.041 555 V CA -0.970 61.117 62.300 -0.356 0.000 0.907 555 V CB 1.627 33.341 31.823 -0.182 0.000 0.994 555 V HN 0.303 nan 8.190 nan 0.000 0.442 556 H N 5.064 124.122 119.070 -0.019 0.000 2.519 556 H HA 0.785 5.333 4.556 -0.014 0.000 0.316 556 H C -0.062 175.255 175.328 -0.019 0.000 1.065 556 H CA -0.425 55.616 56.048 -0.013 0.000 1.264 556 H CB 1.482 31.242 29.762 -0.003 0.000 1.413 556 H HN 0.929 nan 8.280 nan 0.000 0.465 557 I N -0.386 120.245 120.570 0.103 0.000 2.730 557 I HA 0.431 4.592 4.170 -0.014 0.000 0.298 557 I C -0.501 175.692 176.117 0.126 0.000 1.089 557 I CA -1.363 59.981 61.300 0.073 0.000 1.041 557 I CB 2.182 40.182 38.000 -0.001 0.000 1.235 557 I HN 0.367 nan 8.210 nan 0.000 0.423 558 N N 5.793 124.569 118.700 0.128 0.000 2.402 558 N HA 0.347 5.079 4.740 -0.014 0.000 0.252 558 N C -1.973 173.681 175.510 0.239 0.000 1.118 558 N CA -2.299 50.836 53.050 0.142 0.000 0.945 558 N CB 0.862 39.406 38.487 0.094 0.000 1.147 558 N HN 0.408 nan 8.380 nan 0.000 0.495 559 P HA 0.080 nan 4.420 nan 0.000 0.245 559 P C -0.117 177.185 177.300 0.004 0.000 1.212 559 P CA 0.785 63.989 63.100 0.173 0.000 0.774 559 P CB 0.203 31.977 31.700 0.123 0.000 0.999 560 N N -0.944 117.785 118.700 0.049 0.000 2.336 560 N HA 0.002 4.733 4.740 -0.014 0.000 0.189 560 N C 0.370 175.917 175.510 0.063 0.000 1.113 560 N CA -0.086 52.980 53.050 0.028 0.000 0.858 560 N CB 0.038 38.548 38.487 0.038 0.000 0.970 560 N HN 0.136 nan 8.380 nan 0.000 0.471 561 S N 0.116 115.868 115.700 0.088 0.000 2.614 561 S HA 0.181 4.643 4.470 -0.014 0.000 0.265 561 S C 0.070 174.642 174.600 -0.046 0.000 1.303 561 S CA -0.895 57.339 58.200 0.057 0.000 1.000 561 S CB 1.060 64.322 63.200 0.105 0.000 0.935 561 S HN 0.178 nan 8.310 nan 0.000 0.551 562 L N 2.093 123.117 121.223 -0.332 0.000 2.418 562 L HA 0.350 4.682 4.340 -0.014 0.000 0.274 562 L C -0.871 175.972 176.870 -0.045 0.000 1.135 562 L CA -0.497 53.957 54.840 -0.643 0.000 0.870 562 L CB -0.211 41.183 42.059 -1.108 0.000 1.154 562 L HN 0.702 nan 8.230 nan 0.000 0.462 563 F N 4.263 124.077 119.950 -0.228 0.000 2.405 563 F HA 0.100 4.619 4.527 -0.013 0.000 0.358 563 F C 0.443 176.173 175.800 -0.116 0.000 1.151 563 F CA -0.806 57.130 58.000 -0.107 0.000 1.161 563 F CB 0.563 39.551 39.000 -0.020 0.000 1.245 563 F HN 0.516 nan 8.300 nan 0.000 0.545 564 D N 4.939 125.338 120.400 -0.000 0.000 2.412 564 D HA 0.231 4.863 4.640 -0.014 0.000 0.224 564 D C -1.089 175.150 176.300 -0.103 0.000 1.093 564 D CA -0.072 53.882 54.000 -0.077 0.000 0.850 564 D CB 1.459 42.198 40.800 -0.102 0.000 1.046 564 D HN 0.272 nan 8.370 nan 0.000 0.507 565 V N 3.275 123.107 119.914 -0.135 0.000 2.604 565 V HA 0.549 4.661 4.120 -0.014 0.000 0.305 565 V C -1.382 174.551 176.094 -0.269 0.000 1.043 565 V CA -0.639 61.561 62.300 -0.166 0.000 0.888 565 V CB 1.843 33.626 31.823 -0.066 0.000 0.995 565 V HN 0.538 nan 8.190 nan 0.000 0.429 566 Q N 4.748 124.408 119.800 -0.232 0.000 2.394 566 Q HA 0.657 4.989 4.340 -0.014 0.000 0.261 566 Q C -1.464 174.363 176.000 -0.288 0.000 1.023 566 Q CA -0.621 55.032 55.803 -0.251 0.000 0.720 566 Q CB 1.841 30.463 28.738 -0.194 0.000 1.241 566 Q HN 1.085 nan 8.270 nan 0.000 0.483 567 V N 1.768 121.495 119.914 -0.311 0.000 2.531 567 V HA 0.872 4.984 4.120 -0.014 0.000 0.301 567 V C -0.920 174.883 176.094 -0.485 0.000 1.034 567 V CA -0.570 61.358 62.300 -0.619 0.000 0.865 567 V CB 1.325 32.539 31.823 -1.015 0.000 0.995 567 V HN 0.817 nan 8.190 nan 0.000 0.424 568 K N 2.493 122.655 120.400 -0.397 0.000 3.191 568 K HA 0.359 4.671 4.320 -0.014 0.000 0.325 568 K C -1.322 175.292 176.600 0.023 0.000 1.105 568 K CA -1.132 55.123 56.287 -0.054 0.000 0.843 568 K CB 0.840 33.301 32.500 -0.065 0.000 1.452 568 K HN 0.499 nan 8.250 nan 0.000 0.393 569 R N 0.899 121.483 120.500 0.140 0.000 2.698 569 R HA 0.165 4.497 4.340 -0.014 0.000 0.266 569 R C 0.405 176.765 176.300 0.099 0.000 1.026 569 R CA -0.317 55.885 56.100 0.171 0.000 1.102 569 R CB -0.132 30.345 30.300 0.296 0.000 0.978 569 R HN 0.461 nan 8.270 nan 0.000 0.436 570 I N 4.057 124.620 120.570 -0.012 0.000 2.436 570 I HA 0.115 4.276 4.170 -0.014 0.000 0.289 570 I C 0.267 176.196 176.117 -0.313 0.000 1.083 570 I CA 0.270 61.495 61.300 -0.125 0.000 1.372 570 I CB -0.425 37.498 38.000 -0.128 0.000 1.408 570 I HN 0.431 nan 8.210 nan 0.000 0.516 571 H N 2.907 121.875 119.070 -0.169 0.000 2.996 571 H HA 0.240 4.787 4.556 -0.014 0.000 0.368 571 H C 0.598 175.804 175.328 -0.202 0.000 1.185 571 H CA -0.554 55.435 56.048 -0.098 0.000 1.160 571 H CB 1.806 31.455 29.762 -0.187 0.000 1.820 571 H HN 0.476 nan 8.280 nan 0.000 0.547 572 E N 0.921 121.162 120.200 0.069 0.000 2.118 572 E HA -0.264 4.077 4.350 -0.014 0.000 0.195 572 E C 1.247 177.592 176.600 -0.425 0.000 0.992 572 E CA 1.697 58.072 56.400 -0.043 0.000 0.804 572 E CB -0.022 29.828 29.700 0.251 0.000 0.741 572 E HN 0.662 nan 8.360 nan 0.000 0.458 573 Y N 0.745 120.527 120.300 -0.863 0.000 2.352 573 Y HA -0.038 4.503 4.550 -0.014 0.000 0.292 573 Y C 1.545 177.176 175.900 -0.448 0.000 1.136 573 Y CA 0.901 58.307 58.100 -1.157 0.000 1.227 573 Y CB -0.104 37.711 38.460 -1.075 0.000 0.991 573 Y HN -0.205 nan 8.280 nan 0.000 0.545 574 K N 0.612 120.538 120.400 -0.791 0.000 2.366 574 K HA 0.067 4.378 4.320 -0.014 0.000 0.198 574 K C 0.212 176.638 176.600 -0.289 0.000 1.044 574 K CA 0.563 56.511 56.287 -0.565 0.000 0.973 574 K CB -0.023 32.145 32.500 -0.554 0.000 0.767 574 K HN 0.248 nan 8.250 nan 0.000 0.475 575 R N 0.240 120.597 120.500 -0.238 0.000 3.423 575 R HA -0.233 4.099 4.340 -0.014 0.000 0.271 575 R C 0.346 176.563 176.300 -0.137 0.000 1.093 575 R CA 0.277 56.288 56.100 -0.147 0.000 0.730 575 R CB -1.972 28.258 30.300 -0.116 0.000 1.190 575 R HN 0.297 nan 8.270 nan 0.000 0.437 576 Q N 0.356 120.073 119.800 -0.138 0.000 2.217 576 Q HA -0.118 4.213 4.340 -0.014 0.000 0.209 576 Q C 2.033 177.982 176.000 -0.086 0.000 0.988 576 Q CA 1.712 57.449 55.803 -0.110 0.000 0.878 576 Q CB -0.058 28.619 28.738 -0.102 0.000 0.909 576 Q HN 0.583 nan 8.270 nan 0.000 0.424 577 L N -0.634 120.541 121.223 -0.080 0.000 2.083 577 L HA -0.189 4.143 4.340 -0.014 0.000 0.209 577 L C 2.041 178.909 176.870 -0.004 0.000 1.083 577 L CA 0.574 55.382 54.840 -0.053 0.000 0.752 577 L CB -0.342 41.696 42.059 -0.035 0.000 0.899 577 L HN 0.312 nan 8.230 nan 0.000 0.433 578 L N -0.050 121.162 121.223 -0.019 0.000 2.056 578 L HA -0.230 4.102 4.340 -0.014 0.000 0.207 578 L C 2.021 178.937 176.870 0.076 0.000 1.078 578 L CA 1.884 56.725 54.840 0.001 0.000 0.749 578 L CB -0.839 41.116 42.059 -0.174 0.000 0.901 578 L HN 0.276 nan 8.230 nan 0.000 0.433 579 N N -1.525 117.184 118.700 0.015 0.000 2.069 579 N HA -0.259 4.472 4.740 -0.014 0.000 0.191 579 N C 1.955 177.543 175.510 0.129 0.000 1.031 579 N CA 1.850 54.992 53.050 0.153 0.000 0.852 579 N CB -0.172 38.335 38.487 0.033 0.000 1.018 579 N HN 0.507 nan 8.380 nan 0.000 0.423 580 C N 0.569 119.880 119.300 0.019 0.000 2.401 580 C HA -0.105 4.347 4.460 -0.014 0.000 0.276 580 C C 2.595 177.577 174.990 -0.013 0.000 1.233 580 C CA 0.440 59.424 59.018 -0.056 0.000 1.753 580 C CB -1.298 26.356 27.740 -0.143 0.000 2.029 580 C HN 0.506 nan 8.230 nan 0.000 0.478 581 L N -0.445 120.835 121.223 0.094 0.000 2.083 581 L HA -0.184 4.147 4.340 -0.014 0.000 0.209 581 L C 2.765 179.794 176.870 0.265 0.000 1.083 581 L CA 1.746 56.694 54.840 0.181 0.000 0.752 581 L CB -1.048 41.193 42.059 0.304 0.000 0.899 581 L HN 0.590 nan 8.230 nan 0.000 0.433 582 H N -0.035 119.150 119.070 0.192 0.000 2.357 582 H HA -0.130 4.418 4.556 -0.014 0.000 0.301 582 H C 2.222 177.545 175.328 -0.009 0.000 1.082 582 H CA 1.826 57.902 56.048 0.047 0.000 1.342 582 H CB 0.346 30.057 29.762 -0.084 0.000 1.389 582 H HN 0.093 nan 8.280 nan 0.000 0.511 583 V N 1.584 121.416 119.914 -0.136 0.000 2.287 583 V HA -0.276 3.836 4.120 -0.014 0.000 0.248 583 V C 2.837 178.859 176.094 -0.119 0.000 1.053 583 V CA 1.912 64.096 62.300 -0.194 0.000 1.027 583 V CB -0.508 31.245 31.823 -0.116 0.000 0.646 583 V HN 0.387 nan 8.190 nan 0.000 0.447 584 I N -0.192 120.344 120.570 -0.056 0.000 2.286 584 I HA -0.221 3.941 4.170 -0.014 0.000 0.248 584 I C 2.517 178.687 176.117 0.089 0.000 1.115 584 I CA 1.716 63.052 61.300 0.060 0.000 1.392 584 I CB -0.772 37.241 38.000 0.022 0.000 1.065 584 I HN 0.322 nan 8.210 nan 0.000 0.418 585 T N 1.342 115.908 114.554 0.021 0.000 2.684 585 T HA -0.179 4.163 4.350 -0.014 0.000 0.267 585 T C 1.879 176.533 174.700 -0.077 0.000 1.036 585 T CA 1.357 63.460 62.100 0.006 0.000 1.148 585 T CB -0.294 68.606 68.868 0.053 0.000 0.863 585 T HN 0.085 nan 8.240 nan 0.000 0.436 586 L N -0.040 121.066 121.223 -0.194 0.000 2.046 586 L HA 0.006 4.338 4.340 -0.014 0.000 0.208 586 L C 2.098 178.930 176.870 -0.064 0.000 1.077 586 L CA 1.515 56.240 54.840 -0.192 0.000 0.747 586 L CB -1.056 40.811 42.059 -0.319 0.000 0.896 586 L HN 0.363 nan 8.230 nan 0.000 0.432 587 Y N 0.300 120.535 120.300 -0.108 0.000 2.145 587 Y HA -0.301 4.240 4.550 -0.014 0.000 0.286 587 Y C 2.435 178.315 175.900 -0.033 0.000 1.145 587 Y CA 1.873 59.949 58.100 -0.040 0.000 1.148 587 Y CB -0.095 38.387 38.460 0.037 0.000 0.981 587 Y HN 0.276 nan 8.280 nan 0.000 0.507 588 N N 0.449 119.100 118.700 -0.082 0.000 2.166 588 N HA -0.148 4.583 4.740 -0.014 0.000 0.186 588 N C 1.845 177.243 175.510 -0.187 0.000 1.019 588 N CA 1.518 54.457 53.050 -0.184 0.000 0.856 588 N CB -0.379 38.063 38.487 -0.075 0.000 0.993 588 N HN 0.433 nan 8.380 nan 0.000 0.426 589 R N 0.388 120.807 120.500 -0.135 0.000 2.075 589 R HA 0.068 4.399 4.340 -0.014 0.000 0.232 589 R C 2.246 178.464 176.300 -0.137 0.000 1.126 589 R CA 0.798 56.828 56.100 -0.118 0.000 0.963 589 R CB -0.258 29.984 30.300 -0.096 0.000 0.858 589 R HN 0.232 nan 8.270 nan 0.000 0.435 590 I N 0.953 121.423 120.570 -0.165 0.000 2.179 590 I HA -0.290 3.871 4.170 -0.014 0.000 0.242 590 I C 2.138 178.140 176.117 -0.192 0.000 1.088 590 I CA 1.225 62.427 61.300 -0.164 0.000 1.357 590 I CB -0.216 37.692 38.000 -0.153 0.000 1.051 590 I HN 0.033 nan 8.210 nan 0.000 0.409 591 K N 0.893 121.111 120.400 -0.303 0.000 2.152 591 K HA -0.218 4.094 4.320 -0.014 0.000 0.206 591 K C 2.022 178.520 176.600 -0.171 0.000 1.048 591 K CA 1.293 57.411 56.287 -0.281 0.000 0.933 591 K CB -0.368 31.876 32.500 -0.427 0.000 0.721 591 K HN 0.342 nan 8.250 nan 0.000 0.447 592 K N 1.073 121.381 120.400 -0.154 0.000 2.103 592 K HA -0.077 4.235 4.320 -0.014 0.000 0.204 592 K C -0.007 176.546 176.600 -0.079 0.000 1.052 592 K CA 0.999 57.223 56.287 -0.105 0.000 0.945 592 K CB 0.350 32.793 32.500 -0.096 0.000 0.722 592 K HN 0.080 nan 8.250 nan 0.000 0.443 593 E N 0.317 120.469 120.200 -0.080 0.000 3.374 593 E HA 0.120 4.462 4.350 -0.014 0.000 0.223 593 E C -2.324 174.242 176.600 -0.057 0.000 1.210 593 E CA -1.597 54.769 56.400 -0.057 0.000 0.987 593 E CB 1.686 31.359 29.700 -0.045 0.000 1.322 593 E HN 0.139 nan 8.360 nan 0.000 0.404 594 P HA -0.119 nan 4.420 nan 0.000 0.220 594 P C 0.239 177.521 177.300 -0.030 0.000 1.148 594 P CA 1.134 64.203 63.100 -0.053 0.000 0.803 594 P CB 0.195 31.868 31.700 -0.045 0.000 0.782 595 N N -1.228 117.462 118.700 -0.016 0.000 2.268 595 N HA 0.026 4.758 4.740 -0.014 0.000 0.204 595 N C 0.494 176.019 175.510 0.025 0.000 1.124 595 N CA -0.134 52.920 53.050 0.006 0.000 0.838 595 N CB 0.142 38.632 38.487 0.006 0.000 0.994 595 N HN -0.012 nan 8.380 nan 0.000 0.489 596 K N 1.192 121.600 120.400 0.014 0.000 2.172 596 K HA 0.138 4.450 4.320 -0.014 0.000 0.276 596 K C -0.850 175.787 176.600 0.063 0.000 1.013 596 K CA -0.558 55.753 56.287 0.040 0.000 0.913 596 K CB 0.637 33.141 32.500 0.008 0.000 1.055 596 K HN -0.044 nan 8.250 nan 0.000 0.461 597 F N 4.705 124.643 119.950 -0.020 0.000 2.495 597 F HA 0.152 4.671 4.527 -0.014 0.000 0.365 597 F C -0.306 175.481 175.800 -0.022 0.000 1.090 597 F CA -0.112 57.877 58.000 -0.018 0.000 1.235 597 F CB 0.560 39.552 39.000 -0.013 0.000 1.119 597 F HN 0.179 nan 8.300 nan 0.000 0.562 598 V N 4.359 123.744 119.914 -0.881 0.000 2.823 598 V HA 0.546 4.658 4.120 -0.014 0.000 0.312 598 V C -0.652 174.794 176.094 -1.079 0.000 1.072 598 V CA -1.227 60.641 62.300 -0.720 0.000 0.937 598 V CB 1.061 32.670 31.823 -0.356 0.000 1.013 598 V HN 0.573 nan 8.190 nan 0.000 0.430 599 V N 4.867 124.441 119.914 -0.566 0.000 2.458 599 V HA 0.174 4.286 4.120 -0.014 0.000 0.287 599 V C -1.825 174.102 176.094 -0.279 0.000 1.009 599 V CA -0.407 61.711 62.300 -0.303 0.000 1.091 599 V CB 0.245 32.023 31.823 -0.075 0.000 0.960 599 V HN 0.902 nan 8.190 nan 0.000 0.476 600 P HA 0.312 nan 4.420 nan 0.000 0.268 600 P C -0.380 176.831 177.300 -0.148 0.000 1.204 600 P CA -0.024 62.984 63.100 -0.154 0.000 0.768 600 P CB 0.531 32.189 31.700 -0.070 0.000 0.842 601 R N 1.087 121.510 120.500 -0.127 0.000 2.686 601 R HA 0.542 4.874 4.340 -0.014 0.000 0.283 601 R C -0.694 175.563 176.300 -0.070 0.000 0.978 601 R CA -0.616 55.412 56.100 -0.120 0.000 0.897 601 R CB 1.894 32.110 30.300 -0.141 0.000 1.192 601 R HN 0.309 nan 8.270 nan 0.000 0.457 602 T N 2.246 116.774 114.554 -0.043 0.000 2.770 602 T HA 0.244 4.585 4.350 -0.014 0.000 0.297 602 T C -0.298 174.314 174.700 -0.147 0.000 0.997 602 T CA -0.478 61.552 62.100 -0.117 0.000 0.949 602 T CB 1.104 69.829 68.868 -0.237 0.000 0.941 602 T HN 0.127 nan 8.240 nan 0.000 0.457 603 V N 5.990 125.825 119.914 -0.132 0.000 2.364 603 V HA 0.414 4.526 4.120 -0.014 0.000 0.272 603 V C 0.059 176.070 176.094 -0.138 0.000 1.036 603 V CA -0.419 61.809 62.300 -0.120 0.000 0.880 603 V CB 0.659 32.427 31.823 -0.092 0.000 0.991 603 V HN 0.860 nan 8.190 nan 0.000 0.460 604 M N 6.731 126.240 119.600 -0.152 0.000 2.181 604 M HA 0.615 5.087 4.480 -0.014 0.000 0.323 604 M C -1.008 175.179 176.300 -0.189 0.000 1.004 604 M CA -0.176 55.024 55.300 -0.167 0.000 0.941 604 M CB 1.999 34.500 32.600 -0.165 0.000 1.579 604 M HN 0.412 nan 8.290 nan 0.000 0.427 605 I N 1.848 122.285 120.570 -0.222 0.000 2.465 605 I HA 0.842 5.003 4.170 -0.014 0.000 0.291 605 I C 0.118 175.880 176.117 -0.591 0.000 1.014 605 I CA -0.660 60.474 61.300 -0.276 0.000 1.093 605 I CB 2.284 40.213 38.000 -0.119 0.000 1.267 605 I HN 0.801 nan 8.210 nan 0.000 0.431 606 G N 2.913 111.341 108.800 -0.620 0.000 2.696 606 G HA2 0.831 4.783 3.960 -0.014 0.000 0.295 606 G HA3 0.831 4.783 3.960 -0.014 0.000 0.295 606 G C -1.007 173.596 174.900 -0.496 0.000 1.398 606 G CA -0.754 43.837 45.100 -0.847 0.000 0.920 606 G HN 0.996 nan 8.290 nan 0.000 0.492 607 G N -0.350 108.315 108.800 -0.225 0.000 2.352 607 G HA2 0.414 4.365 3.960 -0.014 0.000 0.305 607 G HA3 0.414 4.365 3.960 -0.014 0.000 0.305 607 G C -1.328 173.707 174.900 0.225 0.000 1.537 607 G CA -1.040 44.099 45.100 0.066 0.000 0.959 607 G HN 0.610 nan 8.290 nan 0.000 0.668 608 K N -0.142 120.381 120.400 0.205 0.000 2.110 608 K HA 0.745 5.057 4.320 -0.014 0.000 0.263 608 K C 0.253 176.966 176.600 0.187 0.000 0.975 608 K CA -0.199 56.221 56.287 0.223 0.000 0.895 608 K CB 2.032 34.573 32.500 0.068 0.000 1.060 608 K HN 0.855 nan 8.250 nan 0.000 0.448 609 A N 1.429 124.386 122.820 0.228 0.000 2.312 609 A HA 0.623 4.935 4.320 -0.014 0.000 0.326 609 A C -0.411 177.320 177.584 0.245 0.000 1.172 609 A CA -0.719 51.382 52.037 0.107 0.000 0.821 609 A CB 0.960 19.954 19.000 -0.011 0.000 1.166 609 A HN 0.779 nan 8.150 nan 0.000 0.493 610 A N 3.535 126.474 122.820 0.200 0.000 2.546 610 A HA 0.463 4.774 4.320 -0.014 0.000 0.243 610 A C -1.442 176.221 177.584 0.131 0.000 1.063 610 A CA -0.778 51.400 52.037 0.234 0.000 0.757 610 A CB -0.340 18.788 19.000 0.213 0.000 0.991 610 A HN 0.594 nan 8.150 nan 0.000 0.503 611 P HA -0.111 nan 4.420 nan 0.000 0.218 611 P C 1.305 178.596 177.300 -0.014 0.000 1.148 611 P CA 1.839 64.879 63.100 -0.100 0.000 0.822 611 P CB 0.208 31.783 31.700 -0.209 0.000 0.784 612 G N -2.799 106.021 108.800 0.034 0.000 3.141 612 G HA2 -0.084 3.868 3.960 -0.014 0.000 0.218 612 G HA3 -0.084 3.868 3.960 -0.014 0.000 0.218 612 G C -0.267 174.679 174.900 0.077 0.000 1.170 612 G CA -0.097 45.027 45.100 0.041 0.000 0.769 612 G HN 0.312 nan 8.290 nan 0.000 0.546 613 Y N 1.376 121.634 120.300 -0.070 0.000 2.594 613 Y HA 0.233 4.775 4.550 -0.014 0.000 0.342 613 Y C 1.526 177.416 175.900 -0.015 0.000 1.010 613 Y CA -1.146 56.896 58.100 -0.097 0.000 1.270 613 Y CB 0.301 38.670 38.460 -0.152 0.000 1.125 613 Y HN 0.279 nan 8.280 nan 0.000 0.513 614 H N 4.591 123.788 119.070 0.211 0.000 2.293 614 H HA -0.195 4.353 4.556 -0.014 0.000 0.300 614 H C 1.764 177.122 175.328 0.050 0.000 1.082 614 H CA 2.274 58.382 56.048 0.099 0.000 1.308 614 H CB 0.385 30.198 29.762 0.085 0.000 1.375 614 H HN 0.749 nan 8.280 nan 0.000 0.495 615 M N 1.156 120.754 119.600 -0.004 0.000 2.108 615 M HA -0.101 4.371 4.480 -0.014 0.000 0.261 615 M C 2.546 178.620 176.300 -0.376 0.000 1.066 615 M CA 1.882 57.097 55.300 -0.141 0.000 1.107 615 M CB -0.754 31.906 32.600 0.101 0.000 1.356 615 M HN 0.352 nan 8.290 nan 0.000 0.406 616 A N -0.497 121.858 122.820 -0.774 0.000 1.933 616 A HA -0.195 4.117 4.320 -0.014 0.000 0.218 616 A C 2.197 179.565 177.584 -0.359 0.000 1.175 616 A CA 1.878 53.474 52.037 -0.735 0.000 0.628 616 A CB -0.653 17.653 19.000 -1.157 0.000 0.814 616 A HN 0.588 nan 8.150 nan 0.000 0.444 617 K N -1.150 119.093 120.400 -0.261 0.000 2.148 617 K HA -0.060 4.252 4.320 -0.014 0.000 0.204 617 K C 1.925 178.480 176.600 -0.075 0.000 1.050 617 K CA 1.272 57.498 56.287 -0.101 0.000 0.942 617 K CB -0.211 32.289 32.500 0.001 0.000 0.724 617 K HN 0.342 nan 8.250 nan 0.000 0.446 618 M N 0.489 119.994 119.600 -0.160 0.000 2.175 618 M HA -0.079 4.393 4.480 -0.014 0.000 0.264 618 M C 2.102 178.340 176.300 -0.103 0.000 1.063 618 M CA 1.374 56.625 55.300 -0.081 0.000 1.119 618 M CB -0.622 31.912 32.600 -0.111 0.000 1.377 618 M HN 0.124 nan 8.290 nan 0.000 0.415 619 I N -0.113 120.356 120.570 -0.169 0.000 2.226 619 I HA -0.309 3.853 4.170 -0.014 0.000 0.245 619 I C 2.287 178.274 176.117 -0.217 0.000 1.100 619 I CA 1.090 62.279 61.300 -0.186 0.000 1.374 619 I CB -0.297 37.591 38.000 -0.186 0.000 1.057 619 I HN 0.171 nan 8.210 nan 0.000 0.413 620 I N 0.614 121.036 120.570 -0.246 0.000 2.163 620 I HA -0.324 3.838 4.170 -0.014 0.000 0.243 620 I C 2.611 178.448 176.117 -0.466 0.000 1.085 620 I CA 1.319 62.375 61.300 -0.407 0.000 1.347 620 I CB -0.357 37.373 38.000 -0.451 0.000 1.044 620 I HN 0.159 nan 8.210 nan 0.000 0.408 621 K N 1.527 121.670 120.400 -0.430 0.000 2.063 621 K HA -0.169 4.143 4.320 -0.014 0.000 0.208 621 K C 2.048 178.494 176.600 -0.258 0.000 1.048 621 K CA 1.545 57.501 56.287 -0.552 0.000 0.928 621 K CB -0.627 31.253 32.500 -1.034 0.000 0.713 621 K HN 0.239 nan 8.250 nan 0.000 0.442 622 L N 0.357 121.457 121.223 -0.206 0.000 2.012 622 L HA -0.191 4.140 4.340 -0.014 0.000 0.210 622 L C 2.211 178.845 176.870 -0.393 0.000 1.073 622 L CA 1.791 56.331 54.840 -0.500 0.000 0.748 622 L CB -0.306 41.355 42.059 -0.663 0.000 0.891 622 L HN 0.278 nan 8.230 nan 0.000 0.431 623 I N -0.205 120.186 120.570 -0.297 0.000 2.163 623 I HA -0.341 3.820 4.170 -0.014 0.000 0.243 623 I C 2.638 178.649 176.117 -0.178 0.000 1.085 623 I CA 1.967 63.145 61.300 -0.203 0.000 1.347 623 I CB -0.598 37.370 38.000 -0.055 0.000 1.044 623 I HN 0.434 nan 8.210 nan 0.000 0.408 624 T N -0.855 113.567 114.554 -0.220 0.000 2.821 624 T HA -0.071 4.270 4.350 -0.014 0.000 0.267 624 T C 1.973 176.603 174.700 -0.117 0.000 1.046 624 T CA 0.943 62.941 62.100 -0.171 0.000 1.139 624 T CB -0.467 68.254 68.868 -0.244 0.000 0.871 624 T HN 0.340 nan 8.240 nan 0.000 0.454 625 A N 1.569 124.321 122.820 -0.114 0.000 1.898 625 A HA 0.142 4.454 4.320 -0.014 0.000 0.216 625 A C 2.379 179.978 177.584 0.024 0.000 1.181 625 A CA 1.288 53.330 52.037 0.008 0.000 0.620 625 A CB -0.830 18.282 19.000 0.187 0.000 0.819 625 A HN 0.580 nan 8.150 nan 0.000 0.442 626 I N -0.191 120.282 120.570 -0.161 0.000 2.163 626 I HA -0.233 3.929 4.170 -0.014 0.000 0.243 626 I C 2.742 178.805 176.117 -0.091 0.000 1.085 626 I CA 1.231 62.402 61.300 -0.215 0.000 1.347 626 I CB -0.701 37.051 38.000 -0.413 0.000 1.044 626 I HN 0.394 nan 8.210 nan 0.000 0.408 627 G N 0.418 109.159 108.800 -0.099 0.000 2.469 627 G HA2 -0.285 3.666 3.960 -0.014 0.000 0.219 627 G HA3 -0.285 3.666 3.960 -0.014 0.000 0.219 627 G C 1.280 176.150 174.900 -0.049 0.000 1.150 627 G CA 1.158 46.207 45.100 -0.085 0.000 0.763 627 G HN 0.297 nan 8.290 nan 0.000 0.561 628 D N -0.091 120.323 120.400 0.024 0.000 2.182 628 D HA -0.077 4.555 4.640 -0.014 0.000 0.201 628 D C 2.693 179.097 176.300 0.174 0.000 0.986 628 D CA 0.682 54.767 54.000 0.142 0.000 0.847 628 D CB -0.133 40.718 40.800 0.086 0.000 0.942 628 D HN 0.260 nan 8.370 nan 0.000 0.467 629 V N 0.102 120.053 119.914 0.061 0.000 2.331 629 V HA -0.129 3.982 4.120 -0.014 0.000 0.242 629 V C 2.590 178.632 176.094 -0.087 0.000 1.034 629 V CA 0.721 63.008 62.300 -0.021 0.000 1.027 629 V CB -0.240 31.550 31.823 -0.056 0.000 0.667 629 V HN 0.019 nan 8.190 nan 0.000 0.457 630 V N 0.976 120.781 119.914 -0.181 0.000 2.343 630 V HA -0.199 3.913 4.120 -0.014 0.000 0.247 630 V C 2.131 178.170 176.094 -0.093 0.000 1.051 630 V CA 2.012 64.192 62.300 -0.200 0.000 1.036 630 V CB -0.849 30.852 31.823 -0.204 0.000 0.654 630 V HN 0.563 nan 8.190 nan 0.000 0.451 631 N N -0.393 118.194 118.700 -0.187 0.000 2.512 631 N HA -0.073 4.659 4.740 -0.014 0.000 0.183 631 N C 1.203 176.455 175.510 -0.430 0.000 1.073 631 N CA 0.861 53.718 53.050 -0.322 0.000 0.911 631 N CB -0.252 37.968 38.487 -0.446 0.000 0.964 631 N HN 0.688 nan 8.380 nan 0.000 0.447 632 H N -1.473 117.604 119.070 0.012 0.000 2.674 632 H HA 0.202 4.750 4.556 -0.014 0.000 0.274 632 H C -0.490 174.859 175.328 0.036 0.000 1.121 632 H CA -0.475 55.584 56.048 0.019 0.000 1.132 632 H CB 0.647 30.409 29.762 0.001 0.000 1.606 632 H HN -0.018 nan 8.280 nan 0.000 0.558 633 D N 1.747 122.224 120.400 0.129 0.000 2.316 633 D HA 0.039 4.670 4.640 -0.014 0.000 0.245 633 D C -1.617 174.746 176.300 0.106 0.000 1.171 633 D CA -2.036 52.054 54.000 0.150 0.000 0.856 633 D CB 1.721 42.685 40.800 0.274 0.000 1.090 633 D HN 0.107 nan 8.370 nan 0.000 0.476 634 P HA -0.112 nan 4.420 nan 0.000 0.218 634 P C 1.574 178.899 177.300 0.042 0.000 1.149 634 P CA 0.373 63.506 63.100 0.055 0.000 0.817 634 P CB 0.407 32.134 31.700 0.045 0.000 0.785 635 V N -0.566 119.374 119.914 0.042 0.000 2.515 635 V HA -0.162 3.949 4.120 -0.014 0.000 0.250 635 V C 2.468 178.570 176.094 0.014 0.000 1.058 635 V CA 1.444 63.755 62.300 0.018 0.000 1.064 635 V CB -1.034 30.789 31.823 -0.000 0.000 0.675 635 V HN -0.022 nan 8.190 nan 0.000 0.461 636 V N -0.176 119.764 119.914 0.044 0.000 2.358 636 V HA 0.092 4.204 4.120 -0.014 0.000 0.246 636 V C 1.745 177.849 176.094 0.017 0.000 1.047 636 V CA 1.619 63.944 62.300 0.042 0.000 1.035 636 V CB -1.213 30.682 31.823 0.120 0.000 0.658 636 V HN 0.754 nan 8.190 nan 0.000 0.452 637 G N 1.440 110.254 108.800 0.023 0.000 2.528 637 G HA2 -0.345 3.607 3.960 -0.014 0.000 0.262 637 G HA3 -0.345 3.607 3.960 -0.014 0.000 0.262 637 G C 0.154 175.057 174.900 0.006 0.000 1.200 637 G CA 0.379 45.487 45.100 0.013 0.000 0.951 637 G HN 0.679 nan 8.290 nan 0.000 0.566 638 D N 0.218 120.620 120.400 0.004 0.000 2.370 638 D HA 0.194 4.826 4.640 -0.014 0.000 0.230 638 D C 1.801 178.093 176.300 -0.014 0.000 1.143 638 D CA 0.140 54.142 54.000 0.003 0.000 0.834 638 D CB -0.056 40.754 40.800 0.017 0.000 0.944 638 D HN 0.600 nan 8.370 nan 0.000 0.504 639 R N -0.755 119.726 120.500 -0.032 0.000 2.200 639 R HA 0.218 4.549 4.340 -0.014 0.000 0.208 639 R C -0.091 176.164 176.300 -0.075 0.000 1.033 639 R CA 0.217 56.274 56.100 -0.072 0.000 1.000 639 R CB 0.273 30.512 30.300 -0.101 0.000 0.906 639 R HN 0.134 nan 8.270 nan 0.000 0.462 640 L N 0.596 121.792 121.223 -0.045 0.000 2.505 640 L HA 0.395 4.726 4.340 -0.014 0.000 0.266 640 L C -1.603 175.240 176.870 -0.045 0.000 0.954 640 L CA -0.500 54.312 54.840 -0.047 0.000 0.852 640 L CB 1.845 43.889 42.059 -0.025 0.000 1.282 640 L HN -0.182 nan 8.230 nan 0.000 0.403 641 R N 3.846 124.306 120.500 -0.066 0.000 2.628 641 R HA 0.785 5.117 4.340 -0.014 0.000 0.288 641 R C -1.670 174.569 176.300 -0.101 0.000 0.980 641 R CA -0.761 55.289 56.100 -0.083 0.000 0.891 641 R CB 2.422 32.675 30.300 -0.078 0.000 1.188 641 R HN 0.420 nan 8.270 nan 0.000 0.450 642 V N 4.729 124.579 119.914 -0.107 0.000 2.444 642 V HA 0.520 4.632 4.120 -0.014 0.000 0.294 642 V C -0.342 175.697 176.094 -0.092 0.000 1.022 642 V CA -0.760 61.478 62.300 -0.103 0.000 0.850 642 V CB 1.718 33.478 31.823 -0.105 0.000 0.992 642 V HN 0.538 nan 8.190 nan 0.000 0.426 643 I N 4.755 125.271 120.570 -0.090 0.000 2.498 643 I HA 0.438 4.600 4.170 -0.014 0.000 0.290 643 I C -0.713 175.377 176.117 -0.045 0.000 1.032 643 I CA -0.326 60.929 61.300 -0.076 0.000 1.073 643 I CB 1.956 39.886 38.000 -0.117 0.000 1.251 643 I HN 0.560 nan 8.210 nan 0.000 0.426 644 F N 7.048 126.920 119.950 -0.130 0.000 2.404 644 F HA 0.463 4.982 4.527 -0.013 0.000 0.358 644 F C -0.486 175.239 175.800 -0.125 0.000 1.120 644 F CA -0.602 57.326 58.000 -0.120 0.000 1.144 644 F CB 0.623 39.555 39.000 -0.112 0.000 1.133 644 F HN 0.165 nan 8.300 nan 0.000 0.495 645 L N 6.246 127.087 121.223 -0.637 0.000 2.342 645 L HA 0.155 4.487 4.340 -0.014 0.000 0.285 645 L C 0.288 176.925 176.870 -0.388 0.000 1.095 645 L CA 0.091 54.690 54.840 -0.402 0.000 0.843 645 L CB 0.147 42.043 42.059 -0.272 0.000 1.201 645 L HN 0.610 nan 8.230 nan 0.000 0.445 646 E N 3.546 123.654 120.200 -0.153 0.000 2.354 646 E HA -0.001 4.341 4.350 -0.014 0.000 0.269 646 E C 0.418 177.091 176.600 0.123 0.000 1.036 646 E CA -0.311 56.137 56.400 0.080 0.000 0.876 646 E CB 0.370 30.098 29.700 0.047 0.000 1.009 646 E HN 0.542 nan 8.360 nan 0.000 0.416 647 N N 2.401 121.225 118.700 0.205 0.000 2.740 647 N HA -0.276 4.456 4.740 -0.014 0.000 0.248 647 N C -1.528 174.077 175.510 0.160 0.000 1.062 647 N CA 0.565 53.728 53.050 0.187 0.000 0.704 647 N CB -1.740 36.871 38.487 0.206 0.000 0.968 647 N HN 0.520 nan 8.380 nan 0.000 0.547 648 Y N 1.579 121.894 120.300 0.024 0.000 2.721 648 Y HA 0.158 4.700 4.550 -0.014 0.000 0.329 648 Y C 1.142 177.063 175.900 0.035 0.000 1.211 648 Y CA 0.781 58.883 58.100 0.002 0.000 1.512 648 Y CB 0.295 38.722 38.460 -0.054 0.000 1.249 648 Y HN 0.373 nan 8.280 nan 0.000 0.549 649 R N 2.381 122.511 120.500 -0.616 0.000 2.756 649 R HA 0.410 4.742 4.340 -0.014 0.000 0.273 649 R C -0.643 175.336 176.300 -0.534 0.000 1.030 649 R CA -0.555 55.299 56.100 -0.409 0.000 0.887 649 R CB 0.250 30.491 30.300 -0.099 0.000 1.274 649 R HN 0.350 nan 8.270 nan 0.000 0.461 650 V N 1.060 120.716 119.914 -0.431 0.000 2.287 650 V HA -0.279 3.832 4.120 -0.014 0.000 0.248 650 V C 2.578 178.557 176.094 -0.191 0.000 1.053 650 V CA 2.786 64.886 62.300 -0.334 0.000 1.027 650 V CB -0.804 30.801 31.823 -0.364 0.000 0.646 650 V HN 0.915 nan 8.190 nan 0.000 0.447 651 S N 0.069 115.675 115.700 -0.157 0.000 2.399 651 S HA -0.163 4.299 4.470 -0.014 0.000 0.231 651 S C 1.922 176.472 174.600 -0.083 0.000 1.022 651 S CA 1.591 59.725 58.200 -0.111 0.000 0.983 651 S CB -0.490 62.672 63.200 -0.064 0.000 0.803 651 S HN 0.395 nan 8.310 nan 0.000 0.480 652 L N 1.934 123.112 121.223 -0.074 0.000 2.109 652 L HA 0.334 4.666 4.340 -0.014 0.000 0.207 652 L C 2.669 179.551 176.870 0.020 0.000 1.086 652 L CA 1.400 56.239 54.840 -0.001 0.000 0.760 652 L CB -1.285 40.832 42.059 0.096 0.000 0.910 652 L HN 0.348 nan 8.230 nan 0.000 0.437 653 A N -0.672 122.130 122.820 -0.030 0.000 1.940 653 A HA -0.238 4.074 4.320 -0.014 0.000 0.219 653 A C 2.128 179.775 177.584 0.106 0.000 1.176 653 A CA 1.824 53.923 52.037 0.103 0.000 0.631 653 A CB -0.617 18.425 19.000 0.071 0.000 0.814 653 A HN 0.598 nan 8.150 nan 0.000 0.446 654 E N -0.433 119.814 120.200 0.077 0.000 2.265 654 E HA -0.170 4.172 4.350 -0.014 0.000 0.196 654 E C 1.876 178.447 176.600 -0.049 0.000 0.996 654 E CA 1.256 57.658 56.400 0.003 0.000 0.832 654 E CB -0.051 29.559 29.700 -0.150 0.000 0.756 654 E HN 0.637 nan 8.360 nan 0.000 0.491 655 K N -0.065 120.288 120.400 -0.078 0.000 2.141 655 K HA 0.035 4.346 4.320 -0.014 0.000 0.202 655 K C 2.137 178.566 176.600 -0.285 0.000 1.045 655 K CA 0.398 56.627 56.287 -0.098 0.000 0.971 655 K CB 0.059 32.508 32.500 -0.085 0.000 0.795 655 K HN -0.052 nan 8.250 nan 0.000 0.459 656 V N 1.860 121.519 119.914 -0.425 0.000 2.488 656 V HA -0.121 3.990 4.120 -0.014 0.000 0.246 656 V C 1.893 177.745 176.094 -0.404 0.000 1.046 656 V CA 1.204 63.021 62.300 -0.805 0.000 1.053 656 V CB -0.148 31.309 31.823 -0.610 0.000 0.679 656 V HN 0.232 nan 8.190 nan 0.000 0.458 657 I N 0.701 121.091 120.570 -0.301 0.000 2.163 657 I HA -0.145 4.017 4.170 -0.014 0.000 0.243 657 I C -0.207 175.793 176.117 -0.196 0.000 1.085 657 I CA 1.688 62.738 61.300 -0.417 0.000 1.347 657 I CB -1.572 36.027 38.000 -0.669 0.000 1.044 657 I HN 0.362 nan 8.210 nan 0.000 0.408 658 P HA -0.146 nan 4.420 nan 0.000 0.219 658 P C 1.109 178.404 177.300 -0.008 0.000 1.146 658 P CA 1.454 64.530 63.100 -0.041 0.000 0.808 658 P CB 0.009 31.693 31.700 -0.025 0.000 0.779 659 A N -1.115 121.684 122.820 -0.035 0.000 2.218 659 A HA 0.406 4.717 4.320 -0.014 0.000 0.209 659 A C 1.234 178.916 177.584 0.164 0.000 1.168 659 A CA 0.252 52.324 52.037 0.057 0.000 0.804 659 A CB -0.784 18.259 19.000 0.071 0.000 0.834 659 A HN 0.208 nan 8.150 nan 0.000 0.482 660 A N 0.014 122.933 122.820 0.166 0.000 2.388 660 A HA 0.440 4.752 4.320 -0.014 0.000 0.257 660 A C 0.392 178.121 177.584 0.240 0.000 1.095 660 A CA -0.099 52.098 52.037 0.267 0.000 0.791 660 A CB 0.307 19.553 19.000 0.409 0.000 1.029 660 A HN 0.300 nan 8.150 nan 0.000 0.489 661 D N 0.461 121.002 120.400 0.235 0.000 2.323 661 D HA 0.114 4.746 4.640 -0.014 0.000 0.218 661 D C 0.020 176.533 176.300 0.355 0.000 0.973 661 D CA 0.771 54.965 54.000 0.322 0.000 0.890 661 D CB 0.326 41.238 40.800 0.186 0.000 1.011 661 D HN 0.359 nan 8.370 nan 0.000 0.499 662 L N 1.077 122.390 121.223 0.151 0.000 2.406 662 L HA 0.273 4.605 4.340 -0.014 0.000 0.272 662 L C -0.946 175.807 176.870 -0.194 0.000 0.980 662 L CA -0.285 54.569 54.840 0.023 0.000 0.831 662 L CB 2.147 44.195 42.059 -0.017 0.000 1.253 662 L HN -0.204 nan 8.230 nan 0.000 0.406 663 S N 4.304 119.804 115.700 -0.334 0.000 2.422 663 S HA 0.330 4.792 4.470 -0.014 0.000 0.298 663 S C -0.372 173.959 174.600 -0.447 0.000 1.118 663 S CA -0.645 57.123 58.200 -0.721 0.000 1.083 663 S CB 0.603 63.353 63.200 -0.751 0.000 0.971 663 S HN 0.556 nan 8.310 nan 0.000 0.478 664 E N 4.164 124.110 120.200 -0.425 0.000 2.089 664 E HA 0.204 4.545 4.350 -0.014 0.000 0.284 664 E C -0.527 175.961 176.600 -0.187 0.000 1.023 664 E CA -0.392 55.882 56.400 -0.211 0.000 0.819 664 E CB 0.972 30.576 29.700 -0.159 0.000 1.076 664 E HN 0.608 nan 8.360 nan 0.000 0.396 665 Q N 2.854 122.603 119.800 -0.085 0.000 2.907 665 Q HA 0.273 4.605 4.340 -0.014 0.000 0.262 665 Q C 0.602 176.597 176.000 -0.007 0.000 0.997 665 Q CA -0.131 55.636 55.803 -0.058 0.000 0.797 665 Q CB 0.249 28.965 28.738 -0.037 0.000 1.228 665 Q HN 0.615 nan 8.270 nan 0.000 0.466 666 I N -1.808 118.741 120.570 -0.035 0.000 3.707 666 I HA 0.268 4.430 4.170 -0.014 0.000 0.330 666 I C 0.399 176.475 176.117 -0.068 0.000 1.572 666 I CA -0.691 60.609 61.300 -0.001 0.000 1.104 666 I CB 0.571 38.574 38.000 0.005 0.000 1.240 666 I HN 0.009 nan 8.210 nan 0.000 0.475 667 S N 0.483 116.137 115.700 -0.077 0.000 2.568 667 S HA 0.174 4.635 4.470 -0.014 0.000 0.282 667 S C 0.589 175.174 174.600 -0.025 0.000 1.338 667 S CA -0.244 57.926 58.200 -0.049 0.000 1.045 667 S CB 0.230 63.446 63.200 0.027 0.000 0.873 667 S HN 0.387 nan 8.310 nan 0.000 0.516 668 T N 2.889 117.461 114.554 0.029 0.000 2.908 668 T HA 0.356 4.697 4.350 -0.014 0.000 0.301 668 T C 0.783 175.498 174.700 0.025 0.000 1.019 668 T CA 0.279 62.406 62.100 0.045 0.000 1.152 668 T CB -0.099 68.870 68.868 0.169 0.000 0.966 668 T HN 1.032 nan 8.240 nan 0.000 0.540 669 A N 2.717 125.520 122.820 -0.030 0.000 2.567 669 A HA 0.453 4.765 4.320 -0.014 0.000 0.240 669 A C 1.643 179.223 177.584 -0.006 0.000 1.053 669 A CA 0.261 52.276 52.037 -0.037 0.000 0.755 669 A CB -0.867 18.097 19.000 -0.060 0.000 0.978 669 A HN 1.794 nan 8.150 nan 0.000 0.507 670 G N 1.328 110.124 108.800 -0.007 0.000 2.157 670 G HA2 -0.230 3.722 3.960 -0.014 0.000 0.239 670 G HA3 -0.230 3.722 3.960 -0.014 0.000 0.239 670 G C 0.787 175.682 174.900 -0.008 0.000 0.982 670 G CA 1.163 46.261 45.100 -0.004 0.000 0.650 670 G HN 2.003 nan 8.290 nan 0.000 0.527 671 T N -2.734 111.817 114.554 -0.005 0.000 3.026 671 T HA 0.412 4.754 4.350 -0.014 0.000 0.245 671 T C 0.723 175.297 174.700 -0.210 0.000 1.004 671 T CA 0.992 63.035 62.100 -0.094 0.000 1.069 671 T CB 0.563 69.440 68.868 0.015 0.000 1.005 671 T HN 0.272 nan 8.240 nan 0.000 0.472 672 E N 1.643 121.847 120.200 0.007 0.000 2.052 672 E HA 0.663 5.005 4.350 -0.014 0.000 0.283 672 E C 1.191 177.748 176.600 -0.071 0.000 1.071 672 E CA 0.091 56.529 56.400 0.064 0.000 0.851 672 E CB 0.763 30.547 29.700 0.140 0.000 1.066 672 E HN 0.361 nan 8.360 nan 0.000 0.396 673 A N 3.433 126.132 122.820 -0.201 0.000 1.884 673 A HA -0.239 4.072 4.320 -0.014 0.000 0.219 673 A C 2.009 179.470 177.584 -0.204 0.000 1.197 673 A CA 2.348 54.129 52.037 -0.427 0.000 0.637 673 A CB -0.338 18.142 19.000 -0.866 0.000 0.827 673 A HN 0.605 nan 8.150 nan 0.000 0.450 674 S N -3.856 111.781 115.700 -0.105 0.000 3.792 674 S HA 0.454 4.916 4.470 -0.014 0.000 0.229 674 S C 0.716 175.306 174.600 -0.016 0.000 1.118 674 S CA 1.438 59.621 58.200 -0.027 0.000 0.877 674 S CB -0.084 63.123 63.200 0.011 0.000 1.077 674 S HN 2.287 nan 8.310 nan 0.000 0.546 675 G N 0.375 109.171 108.800 -0.007 0.000 2.722 675 G HA2 -0.068 3.884 3.960 -0.014 0.000 0.686 675 G HA3 -0.068 3.884 3.960 -0.014 0.000 0.686 675 G C 0.248 175.132 174.900 -0.026 0.000 1.282 675 G CA 0.451 45.543 45.100 -0.012 0.000 0.817 675 G HN 1.280 nan 8.290 nan 0.000 0.605 676 T N -1.757 112.768 114.554 -0.048 0.000 3.010 676 T HA 0.377 4.719 4.350 -0.014 0.000 0.253 676 T C 2.422 177.025 174.700 -0.161 0.000 0.939 676 T CA 1.271 63.315 62.100 -0.094 0.000 0.910 676 T CB 0.216 69.022 68.868 -0.104 0.000 1.226 676 T HN 1.914 nan 8.240 nan 0.000 0.508 677 G N 3.226 111.956 108.800 -0.116 0.000 2.469 677 G HA2 -0.316 3.636 3.960 -0.014 0.000 0.219 677 G HA3 -0.316 3.636 3.960 -0.014 0.000 0.219 677 G C 1.465 176.421 174.900 0.093 0.000 1.150 677 G CA 1.305 46.364 45.100 -0.070 0.000 0.763 677 G HN 0.845 nan 8.290 nan 0.000 0.561 678 N N -0.112 118.619 118.700 0.053 0.000 2.061 678 N HA -0.107 4.625 4.740 -0.014 0.000 0.193 678 N C 1.465 176.979 175.510 0.007 0.000 1.030 678 N CA 0.681 53.761 53.050 0.050 0.000 0.856 678 N CB -0.340 38.133 38.487 -0.024 0.000 1.023 678 N HN 0.345 nan 8.380 nan 0.000 0.424 682 M N 0.310 119.991 119.600 0.135 0.000 2.117 682 M HA -0.156 4.315 4.480 -0.014 0.000 0.262 682 M C 1.997 178.347 176.300 0.083 0.000 1.065 682 M CA 1.816 57.166 55.300 0.083 0.000 1.114 682 M CB -0.065 32.573 32.600 0.062 0.000 1.361 682 M HN 0.312 nan 8.290 nan 0.000 0.408 683 L N 0.709 121.979 121.223 0.078 0.000 2.201 683 L HA -0.084 4.248 4.340 -0.014 0.000 0.212 683 L C 1.341 178.254 176.870 0.071 0.000 1.105 683 L CA 1.663 56.556 54.840 0.088 0.000 0.775 683 L CB -0.652 41.468 42.059 0.103 0.000 0.913 683 L HN 0.354 nan 8.230 nan 0.000 0.440 684 N N -0.303 118.430 118.700 0.054 0.000 2.235 684 N HA 0.169 4.901 4.740 -0.014 0.000 0.209 684 N C 0.812 176.357 175.510 0.058 0.000 1.122 684 N CA 0.783 53.859 53.050 0.043 0.000 0.845 684 N CB 0.572 39.061 38.487 0.004 0.000 1.004 684 N HN 0.399 nan 8.380 nan 0.000 0.499 685 G N 0.634 109.474 108.800 0.067 0.000 2.142 685 G HA2 -0.194 3.758 3.960 -0.014 0.000 0.225 685 G HA3 -0.194 3.758 3.960 -0.014 0.000 0.225 685 G C -0.019 174.948 174.900 0.111 0.000 1.015 685 G CA 0.134 45.273 45.100 0.065 0.000 0.716 685 G HN 0.509 nan 8.290 nan 0.000 0.508 686 A N -0.343 122.556 122.820 0.131 0.000 2.312 686 A HA 0.885 5.197 4.320 -0.014 0.000 0.328 686 A C 0.480 178.074 177.584 0.016 0.000 1.158 686 A CA -0.625 51.506 52.037 0.157 0.000 0.821 686 A CB 0.980 20.124 19.000 0.241 0.000 1.170 686 A HN 0.728 nan 8.150 nan 0.000 0.490 687 L N 0.706 121.900 121.223 -0.048 0.000 2.421 687 L HA 0.437 4.769 4.340 -0.014 0.000 0.263 687 L C 0.206 176.960 176.870 -0.193 0.000 1.122 687 L CA -0.336 54.385 54.840 -0.198 0.000 0.804 687 L CB 1.376 43.236 42.059 -0.331 0.000 1.150 687 L HN 0.684 nan 8.230 nan 0.000 0.457 688 T N 2.489 116.808 114.554 -0.392 0.000 2.779 688 T HA 0.451 4.793 4.350 -0.014 0.000 0.280 688 T C -0.386 174.128 174.700 -0.310 0.000 0.987 688 T CA -0.268 61.541 62.100 -0.485 0.000 0.966 688 T CB 1.522 69.876 68.868 -0.857 0.000 0.933 688 T HN 0.348 nan 8.240 nan 0.000 0.442 689 I N 2.987 123.497 120.570 -0.100 0.000 2.321 689 I HA 0.703 4.865 4.170 -0.014 0.000 0.291 689 I C 0.106 176.368 176.117 0.242 0.000 0.998 689 I CA 0.096 61.466 61.300 0.118 0.000 1.227 689 I CB 0.319 38.336 38.000 0.029 0.000 1.368 689 I HN 0.774 nan 8.210 nan 0.000 0.466 690 G N 4.046 113.088 108.800 0.403 0.000 2.673 690 G HA2 0.453 4.405 3.960 -0.014 0.000 0.292 690 G HA3 0.453 4.405 3.960 -0.014 0.000 0.292 690 G C -0.881 173.980 174.900 -0.065 0.000 1.450 690 G CA -0.483 44.768 45.100 0.252 0.000 0.837 690 G HN 0.596 nan 8.290 nan 0.000 0.505 691 T N -0.917 113.450 114.554 -0.312 0.000 2.849 691 T HA 0.478 4.820 4.350 -0.014 0.000 0.284 691 T C 0.782 175.369 174.700 -0.188 0.000 1.004 691 T CA -0.676 61.154 62.100 -0.449 0.000 1.021 691 T CB 1.065 69.687 68.868 -0.411 0.000 1.013 691 T HN 0.259 nan 8.240 nan 0.000 0.527 692 M N 2.958 122.451 119.600 -0.178 0.000 3.254 692 M HA 0.322 4.794 4.480 -0.014 0.000 0.257 692 M C -0.417 175.826 176.300 -0.097 0.000 1.490 692 M CA -0.016 55.210 55.300 -0.123 0.000 1.620 692 M CB -1.774 30.761 32.600 -0.109 0.000 1.157 692 M HN 0.742 nan 8.290 nan 0.000 0.541 693 D N 0.080 120.431 120.400 -0.080 0.000 2.732 693 D HA 0.666 5.298 4.640 -0.014 0.000 0.229 693 D C 0.677 176.955 176.300 -0.037 0.000 1.152 693 D CA 0.738 54.708 54.000 -0.051 0.000 0.854 693 D CB 1.711 42.484 40.800 -0.044 0.000 1.590 693 D HN 0.605 nan 8.370 nan 0.000 0.468 694 G N 1.800 110.588 108.800 -0.020 0.000 2.627 694 G HA2 -0.249 3.703 3.960 -0.014 0.000 0.312 694 G HA3 -0.249 3.703 3.960 -0.014 0.000 0.312 694 G C 1.026 175.918 174.900 -0.014 0.000 1.299 694 G CA 1.136 46.228 45.100 -0.013 0.000 0.989 694 G HN 1.098 nan 8.290 nan 0.000 0.547 695 A N -0.304 122.504 122.820 -0.021 0.000 2.206 695 A HA 0.135 4.447 4.320 -0.014 0.000 0.211 695 A C 2.088 179.606 177.584 -0.110 0.000 1.158 695 A CA 1.728 53.747 52.037 -0.030 0.000 0.761 695 A CB -0.419 18.557 19.000 -0.041 0.000 0.801 695 A HN 0.610 nan 8.150 nan 0.000 0.473 696 N N 0.579 119.223 118.700 -0.094 0.000 2.137 696 N HA -0.157 4.575 4.740 -0.014 0.000 0.190 696 N C 1.592 176.945 175.510 -0.261 0.000 1.017 696 N CA 1.612 54.593 53.050 -0.115 0.000 0.859 696 N CB -0.604 37.870 38.487 -0.020 0.000 1.002 696 N HN 0.291 nan 8.380 nan 0.000 0.428 697 V N 1.236 121.051 119.914 -0.165 0.000 2.287 697 V HA -0.217 3.895 4.120 -0.014 0.000 0.248 697 V C 1.969 177.980 176.094 -0.138 0.000 1.053 697 V CA 1.713 63.916 62.300 -0.161 0.000 1.027 697 V CB -0.487 31.284 31.823 -0.086 0.000 0.646 697 V HN 0.357 nan 8.190 nan 0.000 0.447 698 E N -0.610 119.569 120.200 -0.035 0.000 2.158 698 E HA -0.120 4.221 4.350 -0.014 0.000 0.191 698 E C 2.216 178.937 176.600 0.201 0.000 0.982 698 E CA 0.998 57.461 56.400 0.106 0.000 0.823 698 E CB -0.183 29.668 29.700 0.250 0.000 0.766 698 E HN 0.545 nan 8.360 nan 0.000 0.468 699 M N 0.555 120.156 119.600 0.001 0.000 2.086 699 M HA -0.154 4.318 4.480 -0.014 0.000 0.261 699 M C 2.517 178.685 176.300 -0.220 0.000 1.067 699 M CA 1.604 56.857 55.300 -0.077 0.000 1.116 699 M CB -0.239 32.214 32.600 -0.244 0.000 1.348 699 M HN 0.138 nan 8.290 nan 0.000 0.407 700 A N -0.108 122.294 122.820 -0.697 0.000 1.933 700 A HA -0.222 4.090 4.320 -0.014 0.000 0.218 700 A C 1.988 179.418 177.584 -0.256 0.000 1.175 700 A CA 1.992 53.588 52.037 -0.735 0.000 0.628 700 A CB -0.817 17.653 19.000 -0.883 0.000 0.814 700 A HN 0.588 nan 8.150 nan 0.000 0.444 701 E N -0.366 119.736 120.200 -0.164 0.000 2.051 701 E HA -0.224 4.118 4.350 -0.014 0.000 0.192 701 E C 1.846 178.434 176.600 -0.019 0.000 0.991 701 E CA 1.355 57.713 56.400 -0.069 0.000 0.799 701 E CB -0.077 29.598 29.700 -0.042 0.000 0.748 701 E HN 0.560 nan 8.360 nan 0.000 0.449 702 E N 0.112 120.334 120.200 0.037 0.000 2.047 702 E HA -0.148 4.193 4.350 -0.014 0.000 0.191 702 E C 1.919 178.556 176.600 0.060 0.000 0.987 702 E CA 1.150 57.588 56.400 0.063 0.000 0.799 702 E CB -0.269 29.520 29.700 0.148 0.000 0.752 702 E HN 0.370 nan 8.360 nan 0.000 0.449 703 A N 0.548 123.415 122.820 0.078 0.000 2.067 703 A HA 0.277 4.589 4.320 -0.014 0.000 0.217 703 A C 1.123 178.730 177.584 0.037 0.000 1.156 703 A CA 1.165 53.252 52.037 0.084 0.000 0.683 703 A CB -0.233 18.866 19.000 0.164 0.000 0.808 703 A HN 0.277 nan 8.150 nan 0.000 0.455 704 G N -0.726 108.075 108.800 0.003 0.000 2.879 704 G HA2 -0.126 3.826 3.960 -0.014 0.000 0.686 704 G HA3 -0.126 3.826 3.960 -0.014 0.000 0.686 704 G C 0.003 174.891 174.900 -0.020 0.000 1.115 704 G CA 0.018 45.108 45.100 -0.017 0.000 0.770 704 G HN 0.298 nan 8.290 nan 0.000 0.601 705 E N 0.989 121.164 120.200 -0.041 0.000 2.265 705 E HA -0.130 4.212 4.350 -0.014 0.000 0.196 705 E C 2.030 178.614 176.600 -0.026 0.000 0.996 705 E CA 1.623 58.002 56.400 -0.036 0.000 0.832 705 E CB 0.070 29.743 29.700 -0.045 0.000 0.756 705 E HN 0.760 nan 8.360 nan 0.000 0.491 706 E N 0.714 120.887 120.200 -0.045 0.000 2.338 706 E HA -0.092 4.250 4.350 -0.014 0.000 0.197 706 E C 0.880 177.392 176.600 -0.146 0.000 1.007 706 E CA 0.642 56.992 56.400 -0.082 0.000 0.849 706 E CB 0.000 29.664 29.700 -0.060 0.000 0.774 706 E HN 0.132 nan 8.360 nan 0.000 0.506 707 N N -0.378 118.264 118.700 -0.096 0.000 2.273 707 N HA 0.168 4.900 4.740 -0.014 0.000 0.231 707 N C -1.059 174.381 175.510 -0.117 0.000 1.134 707 N CA 0.015 52.982 53.050 -0.137 0.000 0.856 707 N CB 0.436 38.892 38.487 -0.053 0.000 1.068 707 N HN 0.048 nan 8.380 nan 0.000 0.510 708 F N -0.279 119.467 119.950 -0.340 0.000 2.578 708 F HA 0.403 4.921 4.527 -0.015 0.000 0.311 708 F C -0.995 174.600 175.800 -0.342 0.000 1.094 708 F CA -1.049 56.797 58.000 -0.256 0.000 0.923 708 F CB 1.376 40.306 39.000 -0.116 0.000 1.230 708 F HN -0.215 nan 8.300 nan 0.000 0.450 709 F N 5.956 125.899 119.950 -0.010 0.000 2.384 709 F HA 0.427 4.946 4.527 -0.014 0.000 0.359 709 F C -0.119 175.829 175.800 0.247 0.000 1.143 709 F CA -0.365 57.681 58.000 0.077 0.000 1.216 709 F CB 0.040 39.028 39.000 -0.021 0.000 1.512 709 F HN 0.086 nan 8.300 nan 0.000 0.573 710 I N 4.239 125.036 120.570 0.378 0.000 2.396 710 I HA 0.385 4.547 4.170 -0.014 0.000 0.292 710 I C -0.285 176.030 176.117 0.330 0.000 0.999 710 I CA -0.676 60.811 61.300 0.311 0.000 1.310 710 I CB 0.860 38.958 38.000 0.162 0.000 1.404 710 I HN 0.332 nan 8.210 nan 0.000 0.496 711 F N 3.585 123.613 119.950 0.129 0.000 2.664 711 F HA 0.947 5.465 4.527 -0.014 0.000 0.317 711 F C 0.029 175.874 175.800 0.075 0.000 1.108 711 F CA -0.700 57.361 58.000 0.103 0.000 0.957 711 F CB 1.048 40.123 39.000 0.125 0.000 1.365 711 F HN 0.768 nan 8.300 nan 0.000 0.475 712 G N 1.022 109.882 108.800 0.099 0.000 2.710 712 G HA2 -0.068 3.883 3.960 -0.014 0.000 0.668 712 G HA3 -0.068 3.883 3.960 -0.014 0.000 0.668 712 G C -0.954 173.915 174.900 -0.053 0.000 1.320 712 G CA -0.659 44.441 45.100 0.001 0.000 0.860 712 G HN 0.948 nan 8.290 nan 0.000 0.538 713 M N 0.979 120.559 119.600 -0.034 0.000 2.248 713 M HA 0.214 4.686 4.480 -0.014 0.000 0.345 713 M C 1.240 177.503 176.300 -0.062 0.000 1.243 713 M CA -0.017 55.270 55.300 -0.021 0.000 1.090 713 M CB 0.320 32.916 32.600 -0.006 0.000 1.683 713 M HN 0.509 nan 8.290 nan 0.000 0.450 714 R N 1.831 122.308 120.500 -0.039 0.000 2.583 714 R HA 0.217 4.548 4.340 -0.014 0.000 0.268 714 R C 1.243 177.523 176.300 -0.034 0.000 1.101 714 R CA -0.494 55.578 56.100 -0.046 0.000 1.180 714 R CB -0.024 30.255 30.300 -0.034 0.000 1.128 714 R HN 0.578 nan 8.270 nan 0.000 0.568 715 V N 1.604 121.496 119.914 -0.035 0.000 2.317 715 V HA -0.296 3.815 4.120 -0.014 0.000 0.251 715 V C 1.918 178.000 176.094 -0.019 0.000 1.065 715 V CA 2.129 64.412 62.300 -0.028 0.000 1.049 715 V CB -0.456 31.349 31.823 -0.030 0.000 0.651 715 V HN 0.631 nan 8.190 nan 0.000 0.450 716 E N 0.065 120.255 120.200 -0.016 0.000 2.077 716 E HA -0.187 4.155 4.350 -0.014 0.000 0.193 716 E C 1.967 178.569 176.600 0.004 0.000 0.989 716 E CA 1.432 57.828 56.400 -0.007 0.000 0.800 716 E CB -0.397 29.299 29.700 -0.006 0.000 0.746 716 E HN 0.638 nan 8.360 nan 0.000 0.452 717 D N -0.122 120.282 120.400 0.007 0.000 2.117 717 D HA -0.105 4.527 4.640 -0.014 0.000 0.198 717 D C 2.009 178.323 176.300 0.024 0.000 0.982 717 D CA 0.889 54.903 54.000 0.024 0.000 0.828 717 D CB -0.155 40.663 40.800 0.029 0.000 0.967 717 D HN 0.064 nan 8.370 nan 0.000 0.464 718 V N 1.883 121.799 119.914 0.003 0.000 2.295 718 V HA -0.219 3.893 4.120 -0.014 0.000 0.246 718 V C 2.010 178.103 176.094 -0.002 0.000 1.049 718 V CA 1.712 64.006 62.300 -0.010 0.000 1.024 718 V CB -0.434 31.373 31.823 -0.027 0.000 0.648 718 V HN 0.028 nan 8.190 nan 0.000 0.447 719 D N -0.100 120.299 120.400 -0.001 0.000 2.104 719 D HA -0.168 4.464 4.640 -0.014 0.000 0.194 719 D C 2.420 178.730 176.300 0.017 0.000 0.994 719 D CA 1.340 55.341 54.000 0.002 0.000 0.830 719 D CB -0.264 40.534 40.800 -0.003 0.000 0.959 719 D HN 0.346 nan 8.370 nan 0.000 0.452 720 R N 0.037 120.552 120.500 0.025 0.000 2.091 720 R HA -0.037 4.295 4.340 -0.014 0.000 0.238 720 R C 2.516 178.851 176.300 0.058 0.000 1.136 720 R CA 0.562 56.685 56.100 0.038 0.000 0.959 720 R CB -0.350 29.975 30.300 0.042 0.000 0.856 720 R HN 0.201 nan 8.270 nan 0.000 0.437 721 L N 0.545 121.811 121.223 0.071 0.000 2.093 721 L HA -0.203 4.129 4.340 -0.014 0.000 0.208 721 L C 1.439 178.373 176.870 0.106 0.000 1.085 721 L CA 1.303 56.212 54.840 0.115 0.000 0.755 721 L CB -0.273 41.869 42.059 0.138 0.000 0.904 721 L HN 0.234 nan 8.230 nan 0.000 0.435 722 D N -0.509 119.928 120.400 0.061 0.000 2.178 722 D HA -0.207 4.425 4.640 -0.014 0.000 0.201 722 D C 2.210 178.539 176.300 0.049 0.000 0.980 722 D CA 1.068 55.097 54.000 0.048 0.000 0.842 722 D CB -0.008 40.800 40.800 0.013 0.000 0.948 722 D HN 0.434 nan 8.370 nan 0.000 0.472 723 Q N -0.069 119.756 119.800 0.043 0.000 2.119 723 Q HA -0.048 4.284 4.340 -0.014 0.000 0.201 723 Q C 2.210 178.236 176.000 0.044 0.000 0.972 723 Q CA 0.827 56.652 55.803 0.036 0.000 0.847 723 Q CB 0.086 28.842 28.738 0.030 0.000 0.903 723 Q HN 0.118 nan 8.270 nan 0.000 0.433 724 R N -0.465 120.069 120.500 0.057 0.000 2.119 724 R HA 0.039 4.371 4.340 -0.014 0.000 0.222 724 R C -0.086 176.254 176.300 0.066 0.000 1.088 724 R CA 0.781 56.916 56.100 0.059 0.000 0.984 724 R CB 0.320 30.662 30.300 0.070 0.000 0.884 724 R HN 0.282 nan 8.270 nan 0.000 0.447 725 G N -0.161 108.692 108.800 0.088 0.000 3.209 725 G HA2 -0.270 3.681 3.960 -0.014 0.000 0.686 725 G HA3 -0.270 3.681 3.960 -0.014 0.000 0.686 725 G C -1.348 173.647 174.900 0.158 0.000 1.065 725 G CA -0.468 44.694 45.100 0.103 0.000 0.812 725 G HN 0.256 nan 8.290 nan 0.000 0.573 726 Y N 3.539 123.872 120.300 0.054 0.000 2.436 726 Y HA 0.512 5.053 4.550 -0.014 0.000 0.343 726 Y C 0.586 176.541 175.900 0.091 0.000 1.008 726 Y CA -0.668 57.483 58.100 0.085 0.000 1.241 726 Y CB 0.787 39.278 38.460 0.052 0.000 1.153 726 Y HN 0.584 nan 8.280 nan 0.000 0.521 727 N N 5.174 123.687 118.700 -0.311 0.000 2.621 727 N HA 0.347 5.079 4.740 -0.014 0.000 0.237 727 N C 0.358 175.630 175.510 -0.398 0.000 0.997 727 N CA 0.201 53.061 53.050 -0.316 0.000 0.918 727 N CB 1.043 39.461 38.487 -0.116 0.000 1.122 727 N HN 0.887 nan 8.380 nan 0.000 0.510 728 A N 2.902 125.382 122.820 -0.565 0.000 1.972 728 A HA -0.225 4.087 4.320 -0.014 0.000 0.219 728 A C 2.022 179.733 177.584 0.212 0.000 1.169 728 A CA 1.305 53.241 52.037 -0.169 0.000 0.635 728 A CB -0.385 18.465 19.000 -0.251 0.000 0.810 728 A HN 0.768 nan 8.150 nan 0.000 0.446 729 Q N 0.205 120.019 119.800 0.024 0.000 2.135 729 Q HA -0.235 4.097 4.340 -0.014 0.000 0.204 729 Q C 1.897 177.961 176.000 0.107 0.000 0.981 729 Q CA 2.286 58.123 55.803 0.055 0.000 0.856 729 Q CB -0.354 28.369 28.738 -0.025 0.000 0.902 729 Q HN 0.775 nan 8.270 nan 0.000 0.425 730 E N -1.361 118.843 120.200 0.007 0.000 2.070 730 E HA -0.249 4.093 4.350 -0.014 0.000 0.197 730 E C 1.600 178.117 176.600 -0.138 0.000 1.004 730 E CA 1.553 57.884 56.400 -0.114 0.000 0.805 730 E CB -0.234 29.304 29.700 -0.269 0.000 0.744 730 E HN 0.590 nan 8.360 nan 0.000 0.451 731 Y N -1.027 119.328 120.300 0.091 0.000 2.163 731 Y HA -0.227 4.314 4.550 -0.014 0.000 0.288 731 Y C 2.275 178.152 175.900 -0.038 0.000 1.136 731 Y CA 1.604 59.744 58.100 0.066 0.000 1.147 731 Y CB -0.783 37.775 38.460 0.163 0.000 0.987 731 Y HN 0.231 nan 8.280 nan 0.000 0.509 732 Y N 1.388 121.685 120.300 -0.005 0.000 2.151 732 Y HA -0.299 4.243 4.550 -0.014 0.000 0.284 732 Y C 1.851 177.700 175.900 -0.084 0.000 1.166 732 Y CA 1.945 59.965 58.100 -0.134 0.000 1.163 732 Y CB -0.427 38.001 38.460 -0.054 0.000 0.974 732 Y HN 0.096 nan 8.280 nan 0.000 0.511 733 D N -0.413 120.059 120.400 0.119 0.000 2.178 733 D HA -0.096 4.535 4.640 -0.014 0.000 0.202 733 D C 1.836 178.099 176.300 -0.061 0.000 0.974 733 D CA 1.241 55.259 54.000 0.031 0.000 0.841 733 D CB -0.094 40.747 40.800 0.068 0.000 0.953 733 D HN 0.488 nan 8.370 nan 0.000 0.478 734 R N -0.302 120.162 120.500 -0.059 0.000 2.334 734 R HA 0.291 4.623 4.340 -0.014 0.000 0.212 734 R C 0.317 176.590 176.300 -0.045 0.000 0.897 734 R CA 0.053 56.122 56.100 -0.052 0.000 1.056 734 R CB 1.204 31.473 30.300 -0.053 0.000 1.046 734 R HN 0.139 nan 8.270 nan 0.000 0.513 735 I N 2.195 122.718 120.570 -0.078 0.000 2.437 735 I HA 0.230 4.391 4.170 -0.014 0.000 0.279 735 I C -1.962 174.059 176.117 -0.160 0.000 1.028 735 I CA -2.329 58.931 61.300 -0.065 0.000 1.142 735 I CB 2.134 40.134 38.000 -0.000 0.000 1.266 735 I HN -0.293 nan 8.210 nan 0.000 0.461 736 P HA -0.150 nan 4.420 nan 0.000 0.215 736 P C 1.202 178.409 177.300 -0.155 0.000 1.153 736 P CA 1.330 64.338 63.100 -0.153 0.000 0.853 736 P CB 0.307 31.950 31.700 -0.096 0.000 0.788 737 E N -0.927 119.220 120.200 -0.087 0.000 2.110 737 E HA -0.176 4.166 4.350 -0.014 0.000 0.193 737 E C 1.867 178.378 176.600 -0.148 0.000 0.988 737 E CA 0.761 57.127 56.400 -0.057 0.000 0.804 737 E CB -0.601 29.136 29.700 0.060 0.000 0.745 737 E HN 0.124 nan 8.360 nan 0.000 0.458 738 L N 1.194 122.243 121.223 -0.290 0.000 2.056 738 L HA -0.128 4.204 4.340 -0.014 0.000 0.207 738 L C 2.389 178.993 176.870 -0.443 0.000 1.078 738 L CA 1.584 56.092 54.840 -0.553 0.000 0.749 738 L CB -0.280 41.295 42.059 -0.807 0.000 0.901 738 L HN -0.088 nan 8.230 nan 0.000 0.433 739 R N -0.834 119.378 120.500 -0.480 0.000 2.091 739 R HA -0.243 4.089 4.340 -0.014 0.000 0.238 739 R C 2.385 178.523 176.300 -0.269 0.000 1.136 739 R CA 1.960 57.700 56.100 -0.600 0.000 0.959 739 R CB -0.367 29.480 30.300 -0.755 0.000 0.856 739 R HN 0.606 nan 8.270 nan 0.000 0.437 740 Q N 0.478 120.154 119.800 -0.207 0.000 2.061 740 Q HA -0.202 4.130 4.340 -0.014 0.000 0.204 740 Q C 2.077 178.029 176.000 -0.080 0.000 0.984 740 Q CA 2.169 57.896 55.803 -0.128 0.000 0.846 740 Q CB -0.145 28.519 28.738 -0.123 0.000 0.902 740 Q HN 0.489 nan 8.270 nan 0.000 0.421 741 I N 0.610 121.133 120.570 -0.079 0.000 2.179 741 I HA -0.293 3.868 4.170 -0.014 0.000 0.242 741 I C 2.148 178.295 176.117 0.050 0.000 1.088 741 I CA 0.702 61.998 61.300 -0.008 0.000 1.357 741 I CB -0.328 37.643 38.000 -0.049 0.000 1.051 741 I HN 0.316 nan 8.210 nan 0.000 0.409 742 I N 0.789 121.382 120.570 0.038 0.000 2.286 742 I HA -0.252 3.910 4.170 -0.014 0.000 0.248 742 I C 2.429 178.646 176.117 0.167 0.000 1.115 742 I CA 1.677 63.066 61.300 0.148 0.000 1.392 742 I CB -1.313 36.852 38.000 0.275 0.000 1.065 742 I HN 0.350 nan 8.210 nan 0.000 0.418 743 E N 0.271 120.548 120.200 0.127 0.000 2.106 743 E HA -0.218 4.123 4.350 -0.014 0.000 0.192 743 E C 2.198 178.863 176.600 0.107 0.000 0.984 743 E CA 0.842 57.310 56.400 0.113 0.000 0.806 743 E CB -0.074 29.663 29.700 0.062 0.000 0.750 743 E HN 0.563 nan 8.360 nan 0.000 0.458 744 Q N 0.416 120.266 119.800 0.084 0.000 2.050 744 Q HA -0.142 4.190 4.340 -0.014 0.000 0.202 744 Q C 2.332 178.517 176.000 0.309 0.000 0.980 744 Q CA 1.035 56.907 55.803 0.116 0.000 0.840 744 Q CB -0.049 28.695 28.738 0.010 0.000 0.898 744 Q HN 0.290 nan 8.270 nan 0.000 0.424 745 L N -0.061 121.353 121.223 0.319 0.000 2.017 745 L HA -0.217 4.115 4.340 -0.014 0.000 0.208 745 L C 2.481 179.539 176.870 0.314 0.000 1.073 745 L CA 1.095 56.142 54.840 0.345 0.000 0.745 745 L CB -0.415 41.764 42.059 0.200 0.000 0.894 745 L HN 0.147 nan 8.230 nan 0.000 0.432 746 S N -0.354 115.483 115.700 0.229 0.000 2.368 746 S HA -0.159 4.303 4.470 -0.014 0.000 0.225 746 S C 2.065 176.767 174.600 0.170 0.000 1.030 746 S CA 1.573 59.886 58.200 0.188 0.000 0.999 746 S CB -0.241 63.049 63.200 0.150 0.000 0.844 746 S HN 0.616 nan 8.310 nan 0.000 0.459 747 S N 0.265 116.067 115.700 0.169 0.000 2.527 747 S HA 0.330 4.792 4.470 -0.014 0.000 0.222 747 S C 1.406 176.094 174.600 0.148 0.000 0.985 747 S CA 0.689 58.973 58.200 0.140 0.000 0.921 747 S CB 0.005 63.280 63.200 0.124 0.000 0.772 747 S HN 0.813 nan 8.310 nan 0.000 0.529 748 G N 0.574 109.494 108.800 0.199 0.000 2.131 748 G HA2 -0.279 3.673 3.960 -0.014 0.000 0.223 748 G HA3 -0.279 3.673 3.960 -0.014 0.000 0.223 748 G C 0.184 175.173 174.900 0.149 0.000 0.990 748 G CA 0.090 45.295 45.100 0.175 0.000 0.671 748 G HN 0.503 nan 8.290 nan 0.000 0.521 749 F N 0.245 120.199 119.950 0.007 0.000 2.161 749 F HA 0.137 4.655 4.527 -0.014 0.000 0.300 749 F C 1.908 177.514 175.800 -0.323 0.000 1.089 749 F CA 2.106 59.986 58.000 -0.200 0.000 1.282 749 F CB -0.049 38.747 39.000 -0.340 0.000 1.010 749 F HN 0.186 nan 8.300 nan 0.000 0.485 750 F N -0.415 119.665 119.950 0.216 0.000 2.727 750 F HA 0.195 4.714 4.527 -0.014 0.000 0.302 750 F C 0.636 176.540 175.800 0.172 0.000 1.097 750 F CA 0.248 58.336 58.000 0.147 0.000 1.330 750 F CB -0.108 39.004 39.000 0.186 0.000 1.084 750 F HN -0.045 nan 8.300 nan 0.000 0.578 751 S N -1.842 113.992 115.700 0.224 0.000 2.564 751 S HA 0.321 4.783 4.470 -0.014 0.000 0.141 751 S C -2.473 172.135 174.600 0.012 0.000 1.474 751 S CA -1.021 57.230 58.200 0.084 0.000 1.236 751 S CB 0.964 64.155 63.200 -0.015 0.000 1.481 751 S HN -0.187 nan 8.310 nan 0.000 0.397 752 P HA -0.045 nan 4.420 nan 0.000 0.216 752 P C 0.937 178.221 177.300 -0.026 0.000 1.150 752 P CA 1.215 64.286 63.100 -0.048 0.000 0.837 752 P CB 0.093 31.741 31.700 -0.087 0.000 0.786 753 K N -1.274 119.112 120.400 -0.024 0.000 2.393 753 K HA 0.082 4.394 4.320 -0.014 0.000 0.193 753 K C 0.516 177.109 176.600 -0.011 0.000 1.026 753 K CA 0.470 56.747 56.287 -0.016 0.000 1.064 753 K CB 0.241 32.732 32.500 -0.015 0.000 0.833 753 K HN 0.283 nan 8.250 nan 0.000 0.521 754 Q N -0.136 119.653 119.800 -0.017 0.000 3.244 754 Q HA 0.164 4.496 4.340 -0.014 0.000 0.249 754 Q C -2.455 173.531 176.000 -0.025 0.000 0.951 754 Q CA -1.655 54.134 55.803 -0.023 0.000 0.740 754 Q CB 1.422 30.138 28.738 -0.036 0.000 1.334 754 Q HN -0.099 nan 8.270 nan 0.000 0.448 755 P HA -0.225 nan 4.420 nan 0.000 0.217 755 P C 0.666 177.994 177.300 0.047 0.000 1.148 755 P CA 1.536 64.657 63.100 0.035 0.000 0.828 755 P CB 0.189 31.912 31.700 0.038 0.000 0.783 756 D N -1.424 118.990 120.400 0.024 0.000 2.388 756 D HA 0.003 4.635 4.640 -0.014 0.000 0.221 756 D C 1.565 177.864 176.300 -0.002 0.000 1.133 756 D CA -0.281 53.742 54.000 0.039 0.000 0.831 756 D CB -0.674 40.152 40.800 0.044 0.000 0.962 756 D HN 0.025 nan 8.370 nan 0.000 0.502 757 L N -0.112 121.041 121.223 -0.116 0.000 2.043 757 L HA -0.058 4.274 4.340 -0.014 0.000 0.212 757 L C 1.212 177.901 176.870 -0.301 0.000 1.075 757 L CA 1.692 56.356 54.840 -0.292 0.000 0.752 757 L CB -0.578 41.119 42.059 -0.604 0.000 0.891 757 L HN -0.002 nan 8.230 nan 0.000 0.432 758 F N -0.660 119.349 119.950 0.098 0.000 2.639 758 F HA 0.122 4.641 4.527 -0.014 0.000 0.300 758 F C 1.879 177.735 175.800 0.094 0.000 1.109 758 F CA -0.145 57.904 58.000 0.081 0.000 1.335 758 F CB -0.270 38.768 39.000 0.063 0.000 1.014 758 F HN 0.110 nan 8.300 nan 0.000 0.537 759 K N -0.288 120.238 120.400 0.209 0.000 2.103 759 K HA -0.187 4.125 4.320 -0.014 0.000 0.207 759 K C 0.948 177.656 176.600 0.180 0.000 1.048 759 K CA 1.986 58.377 56.287 0.174 0.000 0.930 759 K CB -0.264 32.313 32.500 0.127 0.000 0.716 759 K HN 0.059 nan 8.250 nan 0.000 0.444 760 D N 1.261 121.778 120.400 0.196 0.000 2.144 760 D HA -0.087 4.545 4.640 -0.014 0.000 0.199 760 D C 1.998 178.413 176.300 0.192 0.000 0.984 760 D CA 1.081 55.206 54.000 0.207 0.000 0.834 760 D CB -0.123 40.839 40.800 0.270 0.000 0.955 760 D HN 0.298 nan 8.370 nan 0.000 0.465 761 I N 0.230 120.915 120.570 0.192 0.000 2.202 761 I HA -0.219 3.943 4.170 -0.014 0.000 0.242 761 I C 2.369 178.555 176.117 0.115 0.000 1.091 761 I CA 0.582 61.965 61.300 0.138 0.000 1.368 761 I CB -0.126 37.943 38.000 0.114 0.000 1.058 761 I HN -0.107 nan 8.210 nan 0.000 0.410 762 V N 1.212 121.210 119.914 0.141 0.000 2.295 762 V HA -0.285 3.826 4.120 -0.014 0.000 0.246 762 V C 2.170 178.311 176.094 0.077 0.000 1.049 762 V CA 1.976 64.347 62.300 0.118 0.000 1.024 762 V CB -0.887 31.020 31.823 0.139 0.000 0.648 762 V HN 0.442 nan 8.190 nan 0.000 0.447 763 N N -0.314 118.462 118.700 0.127 0.000 2.104 763 N HA -0.183 4.549 4.740 -0.014 0.000 0.190 763 N C 1.774 177.369 175.510 0.141 0.000 1.024 763 N CA 1.615 54.772 53.050 0.178 0.000 0.853 763 N CB -0.469 38.156 38.487 0.230 0.000 1.008 763 N HN 0.347 nan 8.380 nan 0.000 0.424 764 M N 0.231 119.919 119.600 0.147 0.000 2.086 764 M HA -0.098 4.374 4.480 -0.014 0.000 0.261 764 M C 1.445 177.744 176.300 -0.002 0.000 1.067 764 M CA 1.277 56.662 55.300 0.143 0.000 1.116 764 M CB -0.492 32.200 32.600 0.152 0.000 1.348 764 M HN 0.018 nan 8.290 nan 0.000 0.407 765 L N 0.654 121.828 121.223 -0.080 0.000 2.046 765 L HA -0.204 4.128 4.340 -0.014 0.000 0.208 765 L C 2.452 179.049 176.870 -0.455 0.000 1.077 765 L CA 1.616 56.270 54.840 -0.310 0.000 0.747 765 L CB -1.180 40.717 42.059 -0.271 0.000 0.896 765 L HN 0.350 nan 8.230 nan 0.000 0.432 766 M N -1.942 117.455 119.600 -0.338 0.000 2.288 766 M HA -0.076 4.396 4.480 -0.014 0.000 0.266 766 M C 1.768 177.647 176.300 -0.702 0.000 1.072 766 M CA 1.427 56.413 55.300 -0.522 0.000 1.132 766 M CB -0.735 31.451 32.600 -0.689 0.000 1.386 766 M HN 0.343 nan 8.290 nan 0.000 0.432 767 H N -2.488 116.417 119.070 -0.275 0.000 3.266 767 H HA 0.259 4.806 4.556 -0.014 0.000 0.246 767 H C 0.306 175.250 175.328 -0.639 0.000 0.998 767 H CA 0.407 56.143 56.048 -0.519 0.000 1.152 767 H CB 0.762 30.075 29.762 -0.749 0.000 1.466 767 H HN 0.398 nan 8.280 nan 0.000 0.481 768 H N 0.494 119.628 119.070 0.107 0.000 2.790 768 H HA 0.148 4.696 4.556 -0.014 0.000 0.232 768 H C -0.658 174.699 175.328 0.048 0.000 1.313 768 H CA -0.255 55.841 56.048 0.081 0.000 1.011 768 H CB 0.921 30.733 29.762 0.084 0.000 2.105 768 H HN 0.124 nan 8.280 nan 0.000 0.580 769 D N 1.242 121.705 120.400 0.105 0.000 2.411 769 D HA 0.114 4.745 4.640 -0.014 0.000 0.225 769 D C 1.182 177.443 176.300 -0.066 0.000 1.156 769 D CA -0.321 53.708 54.000 0.049 0.000 0.874 769 D CB 0.601 41.408 40.800 0.012 0.000 1.034 769 D HN 0.193 nan 8.370 nan 0.000 0.502 770 R N 2.287 122.649 120.500 -0.231 0.000 2.237 770 R HA -0.049 4.283 4.340 -0.014 0.000 0.219 770 R C 0.583 176.376 176.300 -0.845 0.000 1.080 770 R CA 0.907 56.638 56.100 -0.614 0.000 0.995 770 R CB 0.091 29.802 30.300 -0.981 0.000 0.875 770 R HN 0.411 nan 8.270 nan 0.000 0.462 771 F N 0.160 120.063 119.950 -0.079 0.000 2.661 771 F HA 0.279 4.797 4.527 -0.014 0.000 0.306 771 F C 0.059 175.736 175.800 -0.205 0.000 1.094 771 F CA -0.687 57.254 58.000 -0.098 0.000 1.254 771 F CB 0.291 39.291 39.000 0.000 0.000 1.040 771 F HN -0.249 nan 8.300 nan 0.000 0.562 772 K N -0.333 119.881 120.400 -0.309 0.000 3.148 772 K HA -0.176 4.136 4.320 -0.014 0.000 0.267 772 K C 0.995 177.469 176.600 -0.210 0.000 0.996 772 K CA 0.217 56.136 56.287 -0.614 0.000 0.737 772 K CB -1.893 30.174 32.500 -0.723 0.000 1.308 772 K HN 0.203 nan 8.250 nan 0.000 0.470 773 V N -0.054 119.811 119.914 -0.082 0.000 2.282 773 V HA -0.299 3.813 4.120 -0.014 0.000 0.249 773 V C 1.950 178.167 176.094 0.204 0.000 1.057 773 V CA 2.400 64.725 62.300 0.043 0.000 1.032 773 V CB -0.510 31.331 31.823 0.030 0.000 0.645 773 V HN 0.480 nan 8.190 nan 0.000 0.447 774 F N 0.152 120.113 119.950 0.018 0.000 2.216 774 F HA -0.154 4.364 4.527 -0.014 0.000 0.300 774 F C 2.525 178.127 175.800 -0.330 0.000 1.085 774 F CA 0.597 58.551 58.000 -0.076 0.000 1.326 774 F CB -0.387 38.579 39.000 -0.057 0.000 1.027 774 F HN 0.192 nan 8.300 nan 0.000 0.497 775 A N -0.400 122.257 122.820 -0.271 0.000 2.019 775 A HA -0.195 4.117 4.320 -0.014 0.000 0.219 775 A C 1.473 179.046 177.584 -0.018 0.000 1.164 775 A CA 1.873 53.660 52.037 -0.417 0.000 0.644 775 A CB -0.463 18.434 19.000 -0.171 0.000 0.805 775 A HN 0.226 nan 8.150 nan 0.000 0.449 776 D N -2.761 117.692 120.400 0.088 0.000 2.369 776 D HA 0.085 4.717 4.640 -0.014 0.000 0.211 776 D C 1.164 177.627 176.300 0.271 0.000 1.077 776 D CA -0.003 54.126 54.000 0.215 0.000 0.842 776 D CB -0.114 40.832 40.800 0.243 0.000 0.947 776 D HN 0.601 nan 8.370 nan 0.000 0.509 777 Y N 2.028 122.412 120.300 0.140 0.000 2.097 777 Y HA -0.199 4.343 4.550 -0.013 0.000 0.282 777 Y C 2.066 178.054 175.900 0.146 0.000 1.152 777 Y CA 1.832 60.026 58.100 0.158 0.000 1.136 777 Y CB 0.185 38.718 38.460 0.121 0.000 0.975 777 Y HN -0.111 nan 8.280 nan 0.000 0.498 778 E N -0.012 120.252 120.200 0.106 0.000 2.051 778 E HA -0.235 4.107 4.350 -0.014 0.000 0.192 778 E C 2.173 178.743 176.600 -0.050 0.000 0.991 778 E CA 1.513 57.907 56.400 -0.010 0.000 0.799 778 E CB -0.162 29.635 29.700 0.161 0.000 0.748 778 E HN 0.632 nan 8.360 nan 0.000 0.449 779 E N -0.179 120.066 120.200 0.076 0.000 2.110 779 E HA -0.202 4.139 4.350 -0.014 0.000 0.193 779 E C 1.919 178.518 176.600 -0.001 0.000 0.988 779 E CA 0.774 57.241 56.400 0.113 0.000 0.804 779 E CB -0.122 29.736 29.700 0.263 0.000 0.745 779 E HN 0.266 nan 8.360 nan 0.000 0.458 780 Y N 1.228 121.342 120.300 -0.311 0.000 2.145 780 Y HA -0.219 4.323 4.550 -0.014 0.000 0.286 780 Y C 2.138 177.660 175.900 -0.631 0.000 1.145 780 Y CA 1.000 58.606 58.100 -0.824 0.000 1.148 780 Y CB -0.486 37.510 38.460 -0.773 0.000 0.981 780 Y HN -0.207 nan 8.280 nan 0.000 0.507 781 V N 0.398 119.966 119.914 -0.576 0.000 2.343 781 V HA -0.310 3.801 4.120 -0.014 0.000 0.247 781 V C 2.341 178.212 176.094 -0.372 0.000 1.051 781 V CA 2.325 64.302 62.300 -0.538 0.000 1.036 781 V CB -0.654 30.881 31.823 -0.479 0.000 0.654 781 V HN 0.232 nan 8.190 nan 0.000 0.451 782 K N -0.697 119.552 120.400 -0.252 0.000 2.032 782 K HA -0.212 4.100 4.320 -0.014 0.000 0.209 782 K C 2.294 178.808 176.600 -0.143 0.000 1.048 782 K CA 1.898 58.101 56.287 -0.141 0.000 0.927 782 K CB -0.779 31.687 32.500 -0.057 0.000 0.712 782 K HN 0.549 nan 8.250 nan 0.000 0.441 783 C N 0.976 120.169 119.300 -0.178 0.000 2.429 783 C HA -0.109 4.343 4.460 -0.014 0.000 0.277 783 C C 2.506 177.326 174.990 -0.284 0.000 1.262 783 C CA 0.825 59.769 59.018 -0.124 0.000 1.733 783 C CB -0.717 26.974 27.740 -0.081 0.000 2.010 783 C HN 0.469 nan 8.230 nan 0.000 0.483 784 Q N 0.407 119.893 119.800 -0.524 0.000 2.226 784 Q HA -0.174 4.158 4.340 -0.014 0.000 0.204 784 Q C 1.973 177.774 176.000 -0.332 0.000 0.975 784 Q CA 1.616 57.060 55.803 -0.597 0.000 0.866 784 Q CB -0.398 27.722 28.738 -1.030 0.000 0.915 784 Q HN 0.765 nan 8.270 nan 0.000 0.440 785 E N 0.158 120.224 120.200 -0.223 0.000 2.106 785 E HA -0.119 4.223 4.350 -0.014 0.000 0.192 785 E C 2.061 178.623 176.600 -0.062 0.000 0.984 785 E CA 0.513 56.847 56.400 -0.110 0.000 0.806 785 E CB 0.011 29.667 29.700 -0.074 0.000 0.750 785 E HN 0.270 nan 8.360 nan 0.000 0.458 786 R N 0.458 120.931 120.500 -0.045 0.000 2.115 786 R HA -0.065 4.267 4.340 -0.014 0.000 0.230 786 R C 2.401 178.728 176.300 0.044 0.000 1.111 786 R CA 0.779 56.925 56.100 0.076 0.000 0.976 786 R CB -0.274 30.144 30.300 0.198 0.000 0.870 786 R HN 0.062 nan 8.270 nan 0.000 0.445 787 V N 0.740 120.465 119.914 -0.316 0.000 2.295 787 V HA -0.249 3.863 4.120 -0.014 0.000 0.246 787 V C 2.206 178.279 176.094 -0.036 0.000 1.049 787 V CA 2.012 64.016 62.300 -0.494 0.000 1.024 787 V CB -0.405 31.006 31.823 -0.688 0.000 0.648 787 V HN 0.280 nan 8.190 nan 0.000 0.447 788 S N 0.177 115.831 115.700 -0.078 0.000 2.368 788 S HA -0.186 4.276 4.470 -0.014 0.000 0.225 788 S C 2.235 176.894 174.600 0.097 0.000 1.030 788 S CA 1.422 59.614 58.200 -0.014 0.000 0.999 788 S CB -0.559 62.608 63.200 -0.054 0.000 0.844 788 S HN 0.654 nan 8.310 nan 0.000 0.459 789 A N 1.553 124.434 122.820 0.102 0.000 1.883 789 A HA -0.059 4.252 4.320 -0.014 0.000 0.217 789 A C 2.114 179.817 177.584 0.199 0.000 1.186 789 A CA 1.252 53.372 52.037 0.137 0.000 0.624 789 A CB -0.813 18.259 19.000 0.120 0.000 0.822 789 A HN 0.459 nan 8.150 nan 0.000 0.444 790 L N -2.104 119.300 121.223 0.301 0.000 2.093 790 L HA -0.166 4.166 4.340 -0.014 0.000 0.208 790 L C 2.482 179.634 176.870 0.470 0.000 1.085 790 L CA 1.870 56.966 54.840 0.426 0.000 0.755 790 L CB -0.419 42.014 42.059 0.623 0.000 0.904 790 L HN 0.613 nan 8.230 nan 0.000 0.435 791 Y N 0.928 121.357 120.300 0.216 0.000 2.352 791 Y HA -0.245 4.297 4.550 -0.012 0.000 0.292 791 Y C 2.416 178.251 175.900 -0.110 0.000 1.136 791 Y CA 1.512 59.481 58.100 -0.218 0.000 1.227 791 Y CB -0.037 38.068 38.460 -0.592 0.000 0.991 791 Y HN 0.068 nan 8.280 nan 0.000 0.545 792 K N -0.154 120.295 120.400 0.081 0.000 2.360 792 K HA -0.156 4.156 4.320 -0.014 0.000 0.201 792 K C 0.385 176.974 176.600 -0.018 0.000 1.046 792 K CA 0.908 57.222 56.287 0.045 0.000 0.945 792 K CB -0.121 32.441 32.500 0.105 0.000 0.750 792 K HN 0.056 nan 8.250 nan 0.000 0.464 793 N N 0.388 119.094 118.700 0.010 0.000 2.898 793 N HA 0.134 4.865 4.740 -0.014 0.000 0.245 793 N C -2.435 173.082 175.510 0.011 0.000 1.185 793 N CA -2.289 50.771 53.050 0.017 0.000 0.879 793 N CB 1.186 39.713 38.487 0.065 0.000 1.157 793 N HN -0.193 nan 8.380 nan 0.000 0.503 794 P HA -0.140 nan 4.420 nan 0.000 0.216 794 P C 1.374 178.686 177.300 0.021 0.000 1.150 794 P CA 0.964 63.994 63.100 -0.116 0.000 0.837 794 P CB 0.440 32.037 31.700 -0.172 0.000 0.786 795 R N 0.177 120.688 120.500 0.019 0.000 2.073 795 R HA -0.141 4.191 4.340 -0.014 0.000 0.234 795 R C 1.932 178.272 176.300 0.066 0.000 1.134 795 R CA 1.384 57.505 56.100 0.035 0.000 0.952 795 R CB -0.348 29.964 30.300 0.020 0.000 0.850 795 R HN 0.063 nan 8.270 nan 0.000 0.433 796 E N -0.008 120.241 120.200 0.082 0.000 2.152 796 E HA -0.216 4.126 4.350 -0.014 0.000 0.192 796 E C 1.593 178.267 176.600 0.124 0.000 0.983 796 E CA 0.611 57.064 56.400 0.088 0.000 0.818 796 E CB -0.455 29.296 29.700 0.085 0.000 0.758 796 E HN 0.506 nan 8.360 nan 0.000 0.467 797 W N 2.195 123.493 121.300 -0.004 0.000 2.333 797 W HA -0.221 4.430 4.660 -0.015 0.000 0.316 797 W C 1.672 178.196 176.519 0.008 0.000 1.215 797 W CA 2.278 59.633 57.345 0.017 0.000 1.278 797 W CB -0.445 28.988 29.460 -0.044 0.000 1.154 797 W HN 0.049 nan 8.180 nan 0.000 0.486 798 T N 1.103 115.781 114.554 0.207 0.000 2.788 798 T HA -0.176 4.166 4.350 -0.014 0.000 0.268 798 T C 1.836 176.539 174.700 0.005 0.000 1.044 798 T CA 1.770 63.924 62.100 0.091 0.000 1.139 798 T CB -0.335 68.575 68.868 0.071 0.000 0.867 798 T HN 0.183 nan 8.240 nan 0.000 0.454 799 R N 0.482 120.993 120.500 0.018 0.000 2.096 799 R HA 0.061 4.393 4.340 -0.014 0.000 0.235 799 R C 2.517 178.804 176.300 -0.023 0.000 1.127 799 R CA 1.284 57.394 56.100 0.017 0.000 0.968 799 R CB -0.364 29.953 30.300 0.029 0.000 0.861 799 R HN 0.363 nan 8.270 nan 0.000 0.440 800 M N 0.500 120.051 119.600 -0.083 0.000 2.175 800 M HA -0.146 4.325 4.480 -0.014 0.000 0.264 800 M C 1.968 178.174 176.300 -0.158 0.000 1.063 800 M CA 1.393 56.608 55.300 -0.143 0.000 1.119 800 M CB 0.145 32.604 32.600 -0.234 0.000 1.377 800 M HN -0.009 nan 8.290 nan 0.000 0.415 801 V N 0.968 120.763 119.914 -0.198 0.000 2.287 801 V HA -0.327 3.785 4.120 -0.014 0.000 0.248 801 V C 2.206 178.277 176.094 -0.038 0.000 1.053 801 V CA 2.141 64.358 62.300 -0.139 0.000 1.027 801 V CB -0.649 31.109 31.823 -0.108 0.000 0.646 801 V HN 0.511 nan 8.190 nan 0.000 0.447 802 I N -0.619 119.951 120.570 -0.001 0.000 2.264 802 I HA -0.273 3.889 4.170 -0.014 0.000 0.248 802 I C 2.690 178.854 176.117 0.078 0.000 1.111 802 I CA 1.626 62.977 61.300 0.084 0.000 1.382 802 I CB -0.431 37.673 38.000 0.173 0.000 1.060 802 I HN 0.202 nan 8.210 nan 0.000 0.418 803 R N 0.387 120.909 120.500 0.038 0.000 2.148 803 R HA -0.091 4.241 4.340 -0.014 0.000 0.227 803 R C 2.006 178.331 176.300 0.042 0.000 1.103 803 R CA 1.025 57.145 56.100 0.034 0.000 0.983 803 R CB -0.359 29.946 30.300 0.008 0.000 0.874 803 R HN 0.540 nan 8.270 nan 0.000 0.451 804 N N 0.613 119.330 118.700 0.028 0.000 2.109 804 N HA -0.079 4.653 4.740 -0.014 0.000 0.188 804 N C 1.944 177.503 175.510 0.083 0.000 1.034 804 N CA 1.070 54.155 53.050 0.058 0.000 0.846 804 N CB -0.017 38.478 38.487 0.015 0.000 1.010 804 N HN 0.120 nan 8.380 nan 0.000 0.425 805 I N 1.665 122.275 120.570 0.067 0.000 2.208 805 I HA -0.241 3.920 4.170 -0.014 0.000 0.245 805 I C 2.485 178.649 176.117 0.078 0.000 1.097 805 I CA 0.914 62.260 61.300 0.077 0.000 1.363 805 I CB -0.362 37.678 38.000 0.067 0.000 1.051 805 I HN 0.089 nan 8.210 nan 0.000 0.413 806 A N 0.404 123.269 122.820 0.076 0.000 2.019 806 A HA -0.176 4.136 4.320 -0.014 0.000 0.219 806 A C 2.114 179.734 177.584 0.059 0.000 1.164 806 A CA 2.144 54.217 52.037 0.060 0.000 0.644 806 A CB -0.878 18.161 19.000 0.064 0.000 0.805 806 A HN 0.549 nan 8.150 nan 0.000 0.449 807 T N -3.049 111.555 114.554 0.083 0.000 3.129 807 T HA 0.181 4.523 4.350 -0.014 0.000 0.267 807 T C 1.216 176.009 174.700 0.154 0.000 1.018 807 T CA 0.663 62.818 62.100 0.091 0.000 0.903 807 T CB -0.156 68.766 68.868 0.090 0.000 1.067 807 T HN 0.499 nan 8.240 nan 0.000 0.549 808 S N 0.332 116.138 115.700 0.177 0.000 2.562 808 S HA 0.207 4.669 4.470 -0.014 0.000 0.221 808 S C 2.237 176.968 174.600 0.218 0.000 0.975 808 S CA 0.380 58.756 58.200 0.294 0.000 0.918 808 S CB -0.771 62.567 63.200 0.230 0.000 0.772 808 S HN 0.534 nan 8.310 nan 0.000 0.531 809 G N 2.654 111.503 108.800 0.081 0.000 2.469 809 G HA2 -0.308 3.644 3.960 -0.014 0.000 0.220 809 G HA3 -0.308 3.644 3.960 -0.014 0.000 0.220 809 G C 1.331 176.177 174.900 -0.089 0.000 1.136 809 G CA 1.085 46.197 45.100 0.019 0.000 0.759 809 G HN 0.637 nan 8.290 nan 0.000 0.562 810 K N -0.143 120.078 120.400 -0.298 0.000 2.211 810 K HA -0.036 4.276 4.320 -0.014 0.000 0.204 810 K C 1.295 177.561 176.600 -0.557 0.000 1.047 810 K CA 0.859 56.825 56.287 -0.535 0.000 0.935 810 K CB -0.282 31.701 32.500 -0.860 0.000 0.728 810 K HN 0.410 nan 8.250 nan 0.000 0.452 811 F N 0.838 120.819 119.950 0.052 0.000 2.664 811 F HA 0.159 4.678 4.527 -0.014 0.000 0.301 811 F C 0.764 176.611 175.800 0.078 0.000 1.126 811 F CA -0.624 57.414 58.000 0.063 0.000 1.373 811 F CB 0.424 39.458 39.000 0.056 0.000 1.042 811 F HN -0.118 nan 8.300 nan 0.000 0.535 812 S N 0.464 116.248 115.700 0.139 0.000 2.531 812 S HA 0.037 4.499 4.470 -0.014 0.000 0.279 812 S C 1.495 176.177 174.600 0.138 0.000 1.305 812 S CA -0.105 58.173 58.200 0.130 0.000 1.058 812 S CB 0.722 63.968 63.200 0.076 0.000 0.899 812 S HN 0.381 nan 8.310 nan 0.000 0.493 813 S N 3.413 119.221 115.700 0.180 0.000 2.469 813 S HA -0.097 4.365 4.470 -0.014 0.000 0.238 813 S C 0.993 175.652 174.600 0.099 0.000 0.998 813 S CA 0.846 59.174 58.200 0.215 0.000 0.957 813 S CB -0.364 63.036 63.200 0.334 0.000 0.764 813 S HN 0.798 nan 8.310 nan 0.000 0.514 814 D N 1.883 122.324 120.400 0.068 0.000 2.117 814 D HA -0.091 4.540 4.640 -0.014 0.000 0.197 814 D C 2.094 178.401 176.300 0.011 0.000 0.987 814 D CA 0.822 54.838 54.000 0.028 0.000 0.829 814 D CB -0.358 40.455 40.800 0.021 0.000 0.961 814 D HN 0.296 nan 8.370 nan 0.000 0.460 815 R N 0.793 121.301 120.500 0.015 0.000 2.073 815 R HA -0.094 4.238 4.340 -0.014 0.000 0.234 815 R C 1.915 178.210 176.300 -0.008 0.000 1.134 815 R CA 1.450 57.544 56.100 -0.010 0.000 0.952 815 R CB -0.794 29.486 30.300 -0.033 0.000 0.850 815 R HN 0.130 nan 8.270 nan 0.000 0.433 816 T N 2.130 116.703 114.554 0.032 0.000 2.684 816 T HA -0.123 4.219 4.350 -0.014 0.000 0.267 816 T C 1.918 176.625 174.700 0.012 0.000 1.036 816 T CA 1.384 63.522 62.100 0.064 0.000 1.148 816 T CB -0.113 68.873 68.868 0.196 0.000 0.863 816 T HN 0.110 nan 8.240 nan 0.000 0.436 817 I N 1.595 122.100 120.570 -0.108 0.000 2.315 817 I HA -0.062 4.100 4.170 -0.014 0.000 0.248 817 I C 2.932 179.011 176.117 -0.064 0.000 1.117 817 I CA 0.881 62.080 61.300 -0.170 0.000 1.404 817 I CB -1.619 36.275 38.000 -0.176 0.000 1.071 817 I HN 0.189 nan 8.210 nan 0.000 0.419 818 A N 0.333 123.132 122.820 -0.034 0.000 1.940 818 A HA -0.249 4.063 4.320 -0.014 0.000 0.219 818 A C 2.245 179.789 177.584 -0.066 0.000 1.176 818 A CA 1.575 53.597 52.037 -0.025 0.000 0.631 818 A CB -0.554 18.436 19.000 -0.016 0.000 0.814 818 A HN 0.534 nan 8.150 nan 0.000 0.446 819 Q N -1.904 117.838 119.800 -0.097 0.000 2.049 819 Q HA -0.147 4.185 4.340 -0.014 0.000 0.198 819 Q C 1.962 177.790 176.000 -0.286 0.000 0.971 819 Q CA 1.539 57.243 55.803 -0.165 0.000 0.833 819 Q CB -0.333 28.300 28.738 -0.175 0.000 0.896 819 Q HN 0.810 nan 8.270 nan 0.000 0.434 820 Y N 0.890 120.901 120.300 -0.482 0.000 2.114 820 Y HA -0.321 4.221 4.550 -0.014 0.000 0.282 820 Y C 2.527 177.859 175.900 -0.947 0.000 1.165 820 Y CA 1.349 58.905 58.100 -0.906 0.000 1.148 820 Y CB -0.471 37.124 38.460 -1.442 0.000 0.972 820 Y HN 0.173 nan 8.280 nan 0.000 0.504 821 A N 0.226 122.822 122.820 -0.374 0.000 1.865 821 A HA -0.226 4.086 4.320 -0.014 0.000 0.217 821 A C 2.237 179.836 177.584 0.026 0.000 1.191 821 A CA 2.074 54.138 52.037 0.045 0.000 0.623 821 A CB -0.572 18.532 19.000 0.173 0.000 0.826 821 A HN 0.437 nan 8.150 nan 0.000 0.444 822 R N -0.722 119.753 120.500 -0.041 0.000 2.093 822 R HA -0.020 4.312 4.340 -0.014 0.000 0.224 822 R C 1.845 178.122 176.300 -0.039 0.000 1.101 822 R CA 1.453 57.540 56.100 -0.021 0.000 0.979 822 R CB -0.157 30.127 30.300 -0.028 0.000 0.877 822 R HN 0.664 nan 8.270 nan 0.000 0.441 823 E N -0.496 119.640 120.200 -0.106 0.000 2.415 823 E HA 0.090 4.432 4.350 -0.014 0.000 0.197 823 E C 1.450 178.000 176.600 -0.083 0.000 1.007 823 E CA 0.448 56.789 56.400 -0.098 0.000 0.890 823 E CB 0.541 30.155 29.700 -0.143 0.000 0.891 823 E HN 0.287 nan 8.360 nan 0.000 0.496 824 I N -1.018 119.464 120.570 -0.146 0.000 3.570 824 I HA 0.020 4.182 4.170 -0.014 0.000 0.270 824 I C 1.361 177.610 176.117 0.219 0.000 1.162 824 I CA -0.052 61.220 61.300 -0.047 0.000 1.413 824 I CB 0.230 38.056 38.000 -0.290 0.000 1.437 824 I HN 0.108 nan 8.210 nan 0.000 0.457 825 W N 1.514 122.908 121.300 0.158 0.000 2.658 825 W HA 0.316 4.968 4.660 -0.014 0.000 0.263 825 W C 1.469 178.026 176.519 0.063 0.000 1.274 825 W CA 0.799 58.219 57.345 0.126 0.000 1.343 825 W CB -1.104 28.418 29.460 0.102 0.000 1.106 825 W HN 0.321 nan 8.180 nan 0.000 0.615 826 G N 1.266 110.204 108.800 0.230 0.000 2.272 826 G HA2 -0.104 3.848 3.960 -0.014 0.000 0.280 826 G HA3 -0.104 3.848 3.960 -0.014 0.000 0.280 826 G C -0.311 174.661 174.900 0.120 0.000 1.067 826 G CA 0.278 45.455 45.100 0.129 0.000 0.902 826 G HN 0.427 nan 8.290 nan 0.000 0.500 827 V N -4.322 115.683 119.914 0.151 0.000 2.962 827 V HA 0.913 5.025 4.120 -0.014 0.000 0.313 827 V C -0.394 175.759 176.094 0.098 0.000 1.099 827 V CA -1.679 60.690 62.300 0.115 0.000 0.971 827 V CB 2.354 34.252 31.823 0.125 0.000 1.028 827 V HN 0.131 nan 8.190 nan 0.000 0.430 828 E N 3.555 123.796 120.200 0.068 0.000 2.174 828 E HA 0.526 4.867 4.350 -0.014 0.000 0.282 828 E C -2.506 174.130 176.600 0.061 0.000 0.992 828 E CA -1.785 54.649 56.400 0.056 0.000 0.803 828 E CB 1.694 31.419 29.700 0.041 0.000 1.090 828 E HN 0.730 nan 8.360 nan 0.000 0.396 829 P HA 0.082 nan 4.420 nan 0.000 0.272 829 P C -0.513 176.816 177.300 0.048 0.000 1.230 829 P CA -0.288 62.846 63.100 0.057 0.000 0.788 829 P CB 0.797 32.526 31.700 0.048 0.000 0.949 830 S N 0.738 116.469 115.700 0.050 0.000 2.619 830 S HA 0.305 4.767 4.470 -0.014 0.000 0.280 830 S C 0.450 175.075 174.600 0.042 0.000 1.150 830 S CA -0.728 57.500 58.200 0.047 0.000 0.978 830 S CB 0.889 64.123 63.200 0.057 0.000 1.041 830 S HN 0.252 nan 8.310 nan 0.000 0.485 831 R N 2.366 122.887 120.500 0.034 0.000 2.317 831 R HA 0.171 4.503 4.340 -0.014 0.000 0.208 831 R C 0.024 176.338 176.300 0.023 0.000 0.914 831 R CA 0.112 56.231 56.100 0.032 0.000 1.060 831 R CB 0.069 30.388 30.300 0.031 0.000 1.015 831 R HN 0.693 nan 8.270 nan 0.000 0.498 832 Q N 1.002 120.814 119.800 0.021 0.000 2.337 832 Q HA 0.085 4.417 4.340 -0.014 0.000 0.270 832 Q C -0.261 175.735 176.000 -0.007 0.000 1.002 832 Q CA 0.134 55.942 55.803 0.009 0.000 0.888 832 Q CB 0.792 29.537 28.738 0.013 0.000 1.222 832 Q HN -0.187 nan 8.270 nan 0.000 0.400 833 R N 1.562 122.050 120.500 -0.021 0.000 2.590 833 R HA 0.141 4.473 4.340 -0.014 0.000 0.274 833 R C -0.442 175.821 176.300 -0.062 0.000 1.061 833 R CA 0.128 56.203 56.100 -0.041 0.000 1.081 833 R CB 0.311 30.585 30.300 -0.042 0.000 0.984 833 R HN 0.492 nan 8.270 nan 0.000 0.448 834 L N 5.735 126.905 121.223 -0.089 0.000 2.395 834 L HA 0.358 4.689 4.340 -0.014 0.000 0.269 834 L C -1.670 175.145 176.870 -0.091 0.000 1.133 834 L CA -2.024 52.737 54.840 -0.133 0.000 0.812 834 L CB 0.970 42.916 42.059 -0.187 0.000 1.125 834 L HN 0.476 nan 8.230 nan 0.000 0.452 835 P HA 0.101 nan 4.420 nan 0.000 0.269 835 P C -0.832 176.441 177.300 -0.045 0.000 1.209 835 P CA -0.234 62.835 63.100 -0.052 0.000 0.776 835 P CB 0.924 32.599 31.700 -0.042 0.000 0.876 836 A N 0.000 122.802 122.820 -0.031 0.000 2.254 836 A HA 0.000 4.312 4.320 -0.014 0.000 0.244 836 A CA 0.000 52.026 52.037 -0.019 0.000 0.836 836 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486