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 1p29_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 XXLXXXXXGG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVIP 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 EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.984 176.000 -0.026 0.000 1.003 12 Q CA 0.000 55.775 55.803 -0.047 0.000 1.022 12 Q CB 0.000 28.705 28.738 -0.055 0.000 1.108 13 I N 0.695 121.255 120.570 -0.017 0.000 2.525 13 I HA 0.534 4.695 4.170 -0.014 0.000 0.301 13 I C 1.223 177.342 176.117 0.003 0.000 0.992 13 I CA 0.043 61.341 61.300 -0.003 0.000 1.162 13 I CB 1.915 39.918 38.000 0.005 0.000 1.332 13 I HN 0.363 nan 8.210 nan 0.000 0.458 14 S N 4.111 119.818 115.700 0.011 0.000 2.359 14 S HA -0.212 4.250 4.470 -0.014 0.000 0.223 14 S C 1.757 176.368 174.600 0.018 0.000 1.039 14 S CA 1.620 59.829 58.200 0.015 0.000 1.042 14 S CB -1.324 61.890 63.200 0.023 0.000 0.915 14 S HN 0.975 nan 8.310 nan 0.000 0.439 15 V N -0.224 119.709 119.914 0.031 0.000 3.284 15 V HA 0.087 4.199 4.120 -0.014 0.000 0.273 15 V C 1.910 178.019 176.094 0.025 0.000 1.178 15 V CA 1.465 63.786 62.300 0.035 0.000 1.177 15 V CB -1.305 30.548 31.823 0.049 0.000 0.793 15 V HN 0.446 nan 8.190 nan 0.000 0.536 16 R N 1.156 121.662 120.500 0.010 0.000 2.388 16 R HA 0.457 4.788 4.340 -0.014 0.000 0.247 16 R C 1.129 177.421 176.300 -0.012 0.000 0.931 16 R CA 0.484 56.584 56.100 -0.000 0.000 1.082 16 R CB 0.168 30.463 30.300 -0.008 0.000 1.135 16 R HN 0.750 nan 8.270 nan 0.000 0.525 17 G N 1.422 110.215 108.800 -0.012 0.000 2.828 17 G HA2 -0.231 3.721 3.960 -0.014 0.000 0.463 17 G HA3 -0.231 3.721 3.960 -0.014 0.000 0.463 17 G C -0.507 174.381 174.900 -0.021 0.000 1.394 17 G CA -0.659 44.427 45.100 -0.024 0.000 0.862 17 G HN 0.131 nan 8.290 nan 0.000 0.540 18 L N -1.785 119.424 121.223 -0.022 0.000 2.344 18 L HA 0.885 5.217 4.340 -0.014 0.000 0.272 18 L C 0.638 177.497 176.870 -0.018 0.000 1.035 18 L CA -0.394 54.435 54.840 -0.017 0.000 0.807 18 L CB 0.960 43.011 42.059 -0.014 0.000 1.237 18 L HN 1.880 nan 8.230 nan 0.000 0.442 19 A N 1.638 124.449 122.820 -0.014 0.000 2.838 19 A HA 0.624 4.936 4.320 -0.014 0.000 0.337 19 A C 0.722 178.304 177.584 -0.003 0.000 1.383 19 A CA -0.138 51.892 52.037 -0.011 0.000 0.985 19 A CB -0.527 18.466 19.000 -0.012 0.000 1.157 19 A HN 1.016 nan 8.150 nan 0.000 0.497 20 G N 0.240 109.040 108.800 -0.001 0.000 2.491 20 G HA2 0.340 4.292 3.960 -0.014 0.000 0.238 20 G HA3 0.340 4.292 3.960 -0.014 0.000 0.238 20 G C 1.008 175.914 174.900 0.010 0.000 1.277 20 G CA -0.048 45.055 45.100 0.005 0.000 0.851 20 G HN 0.508 nan 8.290 nan 0.000 0.573 21 V N 1.447 121.368 119.914 0.011 0.000 2.287 21 V HA -0.195 3.917 4.120 -0.014 0.000 0.248 21 V C 2.626 178.731 176.094 0.018 0.000 1.053 21 V CA 2.436 64.744 62.300 0.013 0.000 1.027 21 V CB -0.674 31.156 31.823 0.012 0.000 0.646 21 V HN 0.898 nan 8.190 nan 0.000 0.447 22 E N 0.062 120.273 120.200 0.019 0.000 2.106 22 E HA -0.215 4.126 4.350 -0.014 0.000 0.192 22 E C 2.079 178.700 176.600 0.035 0.000 0.984 22 E CA 1.452 57.866 56.400 0.024 0.000 0.806 22 E CB -0.080 29.633 29.700 0.021 0.000 0.750 22 E HN 0.609 nan 8.360 nan 0.000 0.458 23 N N -0.631 118.089 118.700 0.033 0.000 2.080 23 N HA -0.139 4.592 4.740 -0.014 0.000 0.189 23 N C 1.673 177.209 175.510 0.043 0.000 1.036 23 N CA 1.324 54.400 53.050 0.044 0.000 0.846 23 N CB -0.119 38.384 38.487 0.027 0.000 1.015 23 N HN -0.030 nan 8.380 nan 0.000 0.423 24 V N 0.282 120.212 119.914 0.027 0.000 2.392 24 V HA -0.250 3.861 4.120 -0.014 0.000 0.249 24 V C 1.999 178.112 176.094 0.032 0.000 1.059 24 V CA 1.946 64.260 62.300 0.024 0.000 1.051 24 V CB -0.952 30.881 31.823 0.017 0.000 0.658 24 V HN 0.430 nan 8.190 nan 0.000 0.455 25 T N -0.787 113.787 114.554 0.034 0.000 2.821 25 T HA -0.192 4.149 4.350 -0.014 0.000 0.267 25 T C 1.918 176.651 174.700 0.054 0.000 1.046 25 T CA 1.643 63.764 62.100 0.036 0.000 1.139 25 T CB -0.159 68.726 68.868 0.029 0.000 0.871 25 T HN 0.459 nan 8.240 nan 0.000 0.454 26 E N 0.774 121.013 120.200 0.066 0.000 2.107 26 E HA 0.050 4.392 4.350 -0.014 0.000 0.191 26 E C 2.014 178.689 176.600 0.125 0.000 0.982 26 E CA 0.616 57.068 56.400 0.087 0.000 0.809 26 E CB -0.376 29.381 29.700 0.095 0.000 0.756 26 E HN 0.419 nan 8.360 nan 0.000 0.459 27 L N 0.105 121.404 121.223 0.127 0.000 2.027 27 L HA -0.176 4.156 4.340 -0.014 0.000 0.206 27 L C 2.327 179.301 176.870 0.173 0.000 1.074 27 L CA 1.414 56.348 54.840 0.157 0.000 0.745 27 L CB -0.318 41.797 42.059 0.094 0.000 0.898 27 L HN 0.059 nan 8.230 nan 0.000 0.433 28 K N -0.002 120.462 120.400 0.107 0.000 2.103 28 K HA -0.232 4.080 4.320 -0.014 0.000 0.207 28 K C 2.164 178.870 176.600 0.177 0.000 1.048 28 K CA 1.344 57.692 56.287 0.102 0.000 0.930 28 K CB -0.101 32.417 32.500 0.029 0.000 0.716 28 K HN 0.149 nan 8.250 nan 0.000 0.444 29 K N 0.846 121.327 120.400 0.135 0.000 2.026 29 K HA -0.131 4.181 4.320 -0.014 0.000 0.208 29 K C 1.690 178.377 176.600 0.146 0.000 1.048 29 K CA 1.403 57.762 56.287 0.119 0.000 0.929 29 K CB 0.037 32.584 32.500 0.078 0.000 0.713 29 K HN 0.126 nan 8.250 nan 0.000 0.439 30 N N 0.172 118.973 118.700 0.167 0.000 2.309 30 N HA -0.147 4.584 4.740 -0.014 0.000 0.182 30 N C 1.647 177.313 175.510 0.261 0.000 1.018 30 N CA 0.815 53.962 53.050 0.161 0.000 0.876 30 N CB -0.213 38.391 38.487 0.196 0.000 0.972 30 N HN 0.177 nan 8.380 nan 0.000 0.434 31 F N 2.680 122.731 119.950 0.169 0.000 2.075 31 F HA -0.089 4.429 4.527 -0.014 0.000 0.297 31 F C 1.995 177.904 175.800 0.181 0.000 1.113 31 F CA 1.311 59.425 58.000 0.190 0.000 1.218 31 F CB -0.210 38.870 39.000 0.133 0.000 0.984 31 F HN -0.035 nan 8.300 nan 0.000 0.472 32 N N 0.355 119.266 118.700 0.351 0.000 2.244 32 N HA -0.162 4.569 4.740 -0.014 0.000 0.183 32 N C 2.048 177.640 175.510 0.137 0.000 1.016 32 N CA 0.884 54.066 53.050 0.219 0.000 0.866 32 N CB -0.475 38.133 38.487 0.201 0.000 0.980 32 N HN 0.386 nan 8.380 nan 0.000 0.430 33 R N 0.309 120.889 120.500 0.134 0.000 2.062 33 R HA -0.081 4.251 4.340 -0.014 0.000 0.231 33 R C 1.795 178.189 176.300 0.155 0.000 1.136 33 R CA 1.382 57.587 56.100 0.174 0.000 0.948 33 R CB -0.195 30.114 30.300 0.016 0.000 0.845 33 R HN 0.371 nan 8.270 nan 0.000 0.430 34 H N -0.255 118.860 119.070 0.075 0.000 2.387 34 H HA -0.147 4.401 4.556 -0.014 0.000 0.299 34 H C 1.907 177.172 175.328 -0.104 0.000 1.090 34 H CA 1.531 57.557 56.048 -0.036 0.000 1.332 34 H CB 0.042 29.744 29.762 -0.100 0.000 1.386 34 H HN 0.118 nan 8.280 nan 0.000 0.516 35 L N -0.061 121.143 121.223 -0.031 0.000 2.079 35 L HA -0.197 4.134 4.340 -0.014 0.000 0.210 35 L C 2.205 179.052 176.870 -0.038 0.000 1.081 35 L CA 1.875 56.662 54.840 -0.089 0.000 0.752 35 L CB -0.417 41.584 42.059 -0.097 0.000 0.896 35 L HN 0.300 nan 8.230 nan 0.000 0.433 36 H N -1.598 117.402 119.070 -0.117 0.000 2.276 36 H HA -0.050 4.498 4.556 -0.014 0.000 0.307 36 H C 1.799 176.922 175.328 -0.341 0.000 1.061 36 H CA 2.293 58.181 56.048 -0.265 0.000 1.336 36 H CB -0.318 29.212 29.762 -0.387 0.000 1.396 36 H HN 0.318 nan 8.280 nan 0.000 0.503 37 F N -0.529 119.390 119.950 -0.052 0.000 2.234 37 F HA -0.025 4.493 4.527 -0.014 0.000 0.296 37 F C 2.564 178.282 175.800 -0.136 0.000 1.089 37 F CA 1.349 59.274 58.000 -0.124 0.000 1.343 37 F CB -0.228 38.740 39.000 -0.052 0.000 1.040 37 F HN 0.169 nan 8.300 nan 0.000 0.498 38 T N 0.107 114.693 114.554 0.054 0.000 2.901 38 T HA 0.051 4.392 4.350 -0.014 0.000 0.252 38 T C 1.930 176.534 174.700 -0.161 0.000 1.035 38 T CA 0.881 62.938 62.100 -0.071 0.000 1.142 38 T CB -0.301 68.492 68.868 -0.125 0.000 0.869 38 T HN 0.118 nan 8.240 nan 0.000 0.442 39 L N 1.135 122.262 121.223 -0.160 0.000 2.529 39 L HA 0.206 4.537 4.340 -0.014 0.000 0.223 39 L C 0.340 177.109 176.870 -0.167 0.000 1.113 39 L CA -0.096 54.639 54.840 -0.176 0.000 0.861 39 L CB -0.116 41.847 42.059 -0.159 0.000 1.012 39 L HN -0.021 nan 8.230 nan 0.000 0.461 40 V N 0.923 120.721 119.914 -0.193 0.000 6.016 40 V HA -0.280 3.832 4.120 -0.014 0.000 0.265 40 V C -0.047 175.931 176.094 -0.194 0.000 0.621 40 V CA 1.146 63.301 62.300 -0.241 0.000 0.592 40 V CB -2.125 29.583 31.823 -0.193 0.000 0.298 40 V HN 0.454 nan 8.190 nan 0.000 0.615 41 K N 0.776 121.072 120.400 -0.174 0.000 2.495 41 K HA 0.719 5.030 4.320 -0.014 0.000 0.268 41 K C -0.607 175.960 176.600 -0.055 0.000 1.008 41 K CA -0.475 55.744 56.287 -0.113 0.000 0.882 41 K CB 2.829 35.261 32.500 -0.114 0.000 1.443 41 K HN 0.548 nan 8.250 nan 0.000 0.447 42 D N -1.141 119.246 120.400 -0.022 0.000 2.419 42 D HA 0.312 4.943 4.640 -0.014 0.000 0.234 42 D C 0.652 176.982 176.300 0.050 0.000 1.014 42 D CA -0.771 53.248 54.000 0.032 0.000 0.919 42 D CB 1.440 42.257 40.800 0.028 0.000 1.366 42 D HN 0.187 nan 8.370 nan 0.000 0.490 43 R N 0.420 120.981 120.500 0.102 0.000 2.185 43 R HA -0.108 4.223 4.340 -0.014 0.000 0.247 43 R C 0.647 177.023 176.300 0.127 0.000 1.159 43 R CA 1.468 57.668 56.100 0.166 0.000 0.988 43 R CB -0.691 29.703 30.300 0.157 0.000 0.871 43 R HN 0.533 nan 8.270 nan 0.000 0.458 44 N N -1.362 117.379 118.700 0.070 0.000 2.461 44 N HA -0.021 4.711 4.740 -0.014 0.000 0.188 44 N C 0.666 176.193 175.510 0.028 0.000 1.134 44 N CA 0.908 53.988 53.050 0.050 0.000 0.878 44 N CB 0.766 39.273 38.487 0.034 0.000 0.972 44 N HN 0.239 nan 8.380 nan 0.000 0.456 45 V N -4.731 115.187 119.914 0.007 0.000 3.382 45 V HA 0.559 4.671 4.120 -0.014 0.000 0.296 45 V C 0.582 176.640 176.094 -0.059 0.000 1.529 45 V CA -0.564 61.725 62.300 -0.019 0.000 1.048 45 V CB -0.363 31.444 31.823 -0.027 0.000 0.878 45 V HN 0.013 nan 8.190 nan 0.000 0.442 46 A N 2.124 124.884 122.820 -0.099 0.000 2.425 46 A HA 0.650 4.962 4.320 -0.014 0.000 0.249 46 A C 0.668 178.074 177.584 -0.296 0.000 1.084 46 A CA 0.806 52.672 52.037 -0.284 0.000 0.781 46 A CB 0.054 18.744 19.000 -0.516 0.000 1.019 46 A HN 0.888 nan 8.150 nan 0.000 0.490 47 T N -0.395 113.975 114.554 -0.306 0.000 2.940 47 T HA 0.598 4.940 4.350 -0.014 0.000 0.288 47 T C -2.271 172.347 174.700 -0.136 0.000 1.045 47 T CA -1.777 60.242 62.100 -0.135 0.000 1.018 47 T CB 1.358 70.201 68.868 -0.042 0.000 1.151 47 T HN 0.222 nan 8.240 nan 0.000 0.529 48 P HA -0.100 nan 4.420 nan 0.000 0.216 48 P C 1.631 179.052 177.300 0.202 0.000 1.150 48 P CA 0.969 64.216 63.100 0.245 0.000 0.843 48 P CB 0.062 31.870 31.700 0.181 0.000 0.787 49 R N 0.089 120.658 120.500 0.115 0.000 2.081 49 R HA -0.154 4.178 4.340 -0.014 0.000 0.235 49 R C 1.692 178.170 176.300 0.297 0.000 1.131 49 R CA 1.952 58.164 56.100 0.188 0.000 0.960 49 R CB -0.781 29.570 30.300 0.086 0.000 0.856 49 R HN 0.095 nan 8.270 nan 0.000 0.436 50 D N -0.368 120.082 120.400 0.084 0.000 2.144 50 D HA -0.191 4.440 4.640 -0.014 0.000 0.199 50 D C 1.756 178.083 176.300 0.045 0.000 0.984 50 D CA 1.318 55.321 54.000 0.005 0.000 0.834 50 D CB -0.299 40.361 40.800 -0.232 0.000 0.955 50 D HN 0.325 nan 8.370 nan 0.000 0.465 51 Y N 0.030 120.444 120.300 0.190 0.000 2.242 51 Y HA -0.195 4.346 4.550 -0.014 0.000 0.291 51 Y C 2.311 178.361 175.900 0.249 0.000 1.137 51 Y CA 0.276 58.533 58.100 0.262 0.000 1.181 51 Y CB -1.104 37.564 38.460 0.346 0.000 0.989 51 Y HN 0.084 nan 8.280 nan 0.000 0.527 52 Y N -0.504 119.954 120.300 0.262 0.000 2.181 52 Y HA -0.271 4.270 4.550 -0.014 0.000 0.288 52 Y C 1.915 177.800 175.900 -0.026 0.000 1.146 52 Y CA 1.203 59.352 58.100 0.082 0.000 1.164 52 Y CB -1.117 37.294 38.460 -0.082 0.000 0.982 52 Y HN 0.052 nan 8.280 nan 0.000 0.515 53 F N 0.170 119.901 119.950 -0.364 0.000 2.186 53 F HA -0.103 4.415 4.527 -0.014 0.000 0.299 53 F C 2.644 178.292 175.800 -0.253 0.000 1.090 53 F CA 1.297 59.032 58.000 -0.441 0.000 1.307 53 F CB -0.816 38.098 39.000 -0.143 0.000 1.019 53 F HN 0.189 nan 8.300 nan 0.000 0.489 54 A N -0.157 122.626 122.820 -0.061 0.000 1.902 54 A HA -0.191 4.120 4.320 -0.014 0.000 0.217 54 A C 2.061 179.556 177.584 -0.149 0.000 1.181 54 A CA 1.617 53.497 52.037 -0.263 0.000 0.623 54 A CB -1.022 17.469 19.000 -0.849 0.000 0.818 54 A HN 0.349 nan 8.150 nan 0.000 0.443 55 L N -0.327 120.928 121.223 0.053 0.000 2.056 55 L HA 0.000 4.332 4.340 -0.014 0.000 0.207 55 L C 2.652 179.516 176.870 -0.011 0.000 1.078 55 L CA 2.075 57.055 54.840 0.234 0.000 0.749 55 L CB -0.881 41.372 42.059 0.324 0.000 0.901 55 L HN 0.342 nan 8.230 nan 0.000 0.433 56 A N -1.107 121.528 122.820 -0.309 0.000 1.883 56 A HA -0.280 4.031 4.320 -0.014 0.000 0.217 56 A C 2.143 179.380 177.584 -0.577 0.000 1.186 56 A CA 2.026 53.737 52.037 -0.543 0.000 0.624 56 A CB -1.108 17.226 19.000 -1.110 0.000 0.822 56 A HN 0.661 nan 8.150 nan 0.000 0.444 57 H N -0.744 118.017 119.070 -0.515 0.000 2.421 57 H HA -0.049 4.498 4.556 -0.014 0.000 0.298 57 H C 2.314 177.391 175.328 -0.419 0.000 1.087 57 H CA 1.879 57.559 56.048 -0.613 0.000 1.330 57 H CB -0.219 28.923 29.762 -1.035 0.000 1.388 57 H HN 0.464 nan 8.280 nan 0.000 0.526 58 T N -0.329 114.183 114.554 -0.070 0.000 2.708 58 T HA -0.134 4.207 4.350 -0.014 0.000 0.266 58 T C 2.265 177.127 174.700 0.271 0.000 1.037 58 T CA 1.391 63.630 62.100 0.232 0.000 1.146 58 T CB -0.395 68.662 68.868 0.316 0.000 0.865 58 T HN 0.102 nan 8.240 nan 0.000 0.435 59 V N 1.577 121.599 119.914 0.180 0.000 2.358 59 V HA -0.128 3.983 4.120 -0.014 0.000 0.246 59 V C 2.604 178.863 176.094 0.275 0.000 1.047 59 V CA 1.647 64.077 62.300 0.216 0.000 1.035 59 V CB -0.651 31.306 31.823 0.224 0.000 0.658 59 V HN 0.380 nan 8.190 nan 0.000 0.452 60 R N 0.334 120.947 120.500 0.189 0.000 2.103 60 R HA -0.240 4.092 4.340 -0.014 0.000 0.242 60 R C 1.964 178.376 176.300 0.187 0.000 1.142 60 R CA 2.265 58.474 56.100 0.181 0.000 0.960 60 R CB -0.464 29.786 30.300 -0.083 0.000 0.858 60 R HN 0.474 nan 8.270 nan 0.000 0.439 61 D N -0.080 120.433 120.400 0.189 0.000 2.133 61 D HA -0.167 4.465 4.640 -0.014 0.000 0.195 61 D C 1.668 178.022 176.300 0.089 0.000 0.997 61 D CA 1.480 55.571 54.000 0.152 0.000 0.840 61 D CB -0.435 40.460 40.800 0.158 0.000 0.947 61 D HN 0.491 nan 8.370 nan 0.000 0.452 62 H N -0.533 118.600 119.070 0.104 0.000 2.545 62 H HA 0.097 4.645 4.556 -0.014 0.000 0.282 62 H C 1.997 177.365 175.328 0.067 0.000 1.020 62 H CA 0.389 56.483 56.048 0.076 0.000 1.243 62 H CB -0.019 29.779 29.762 0.061 0.000 1.377 62 H HN 0.136 nan 8.280 nan 0.000 0.581 63 L N -0.299 121.032 121.223 0.180 0.000 2.127 63 L HA -0.087 4.244 4.340 -0.014 0.000 0.203 63 L C 2.399 179.374 176.870 0.174 0.000 1.080 63 L CA 0.612 55.522 54.840 0.117 0.000 0.768 63 L CB -0.227 41.867 42.059 0.059 0.000 0.924 63 L HN 0.278 nan 8.230 nan 0.000 0.444 64 V N -1.871 118.176 119.914 0.222 0.000 2.317 64 V HA -0.221 3.891 4.120 -0.014 0.000 0.251 64 V C 2.289 178.499 176.094 0.193 0.000 1.065 64 V CA 2.195 64.663 62.300 0.280 0.000 1.049 64 V CB -1.898 30.048 31.823 0.204 0.000 0.651 64 V HN 0.413 nan 8.190 nan 0.000 0.450 65 G N 0.273 109.139 108.800 0.110 0.000 2.446 65 G HA2 -0.227 3.725 3.960 -0.014 0.000 0.217 65 G HA3 -0.227 3.725 3.960 -0.014 0.000 0.217 65 G C 1.763 176.708 174.900 0.075 0.000 1.168 65 G CA 0.999 46.137 45.100 0.064 0.000 0.771 65 G HN 0.563 nan 8.290 nan 0.000 0.551 66 R N -1.428 119.125 120.500 0.088 0.000 2.092 66 R HA -0.065 4.266 4.340 -0.014 0.000 0.231 66 R C 2.280 178.660 176.300 0.134 0.000 1.119 66 R CA 1.064 57.204 56.100 0.068 0.000 0.970 66 R CB -0.393 29.930 30.300 0.038 0.000 0.864 66 R HN 0.461 nan 8.270 nan 0.000 0.440 67 W N 1.914 123.195 121.300 -0.032 0.000 2.333 67 W HA -0.112 4.540 4.660 -0.014 0.000 0.316 67 W C 1.777 178.269 176.519 -0.044 0.000 1.215 67 W CA 1.012 58.336 57.345 -0.036 0.000 1.278 67 W CB -0.628 28.831 29.460 -0.003 0.000 1.154 67 W HN -0.044 nan 8.180 nan 0.000 0.486 68 I N 0.111 120.748 120.570 0.112 0.000 2.226 68 I HA -0.314 3.848 4.170 -0.014 0.000 0.245 68 I C 2.563 178.670 176.117 -0.017 0.000 1.100 68 I CA 1.446 62.725 61.300 -0.035 0.000 1.374 68 I CB -0.604 37.379 38.000 -0.029 0.000 1.057 68 I HN -0.083 nan 8.210 nan 0.000 0.413 69 R N 0.047 120.551 120.500 0.007 0.000 2.092 69 R HA -0.090 4.242 4.340 -0.014 0.000 0.231 69 R C 2.349 178.620 176.300 -0.047 0.000 1.119 69 R CA 1.778 57.871 56.100 -0.011 0.000 0.970 69 R CB -0.544 29.746 30.300 -0.018 0.000 0.864 69 R HN 0.322 nan 8.270 nan 0.000 0.440 70 T N 1.135 115.637 114.554 -0.085 0.000 2.674 70 T HA -0.142 4.199 4.350 -0.014 0.000 0.265 70 T C 1.775 176.222 174.700 -0.422 0.000 1.039 70 T CA 1.074 63.013 62.100 -0.269 0.000 1.150 70 T CB -0.120 68.613 68.868 -0.225 0.000 0.864 70 T HN 0.155 nan 8.240 nan 0.000 0.427 71 Q N 0.743 120.432 119.800 -0.185 0.000 2.170 71 Q HA -0.083 4.248 4.340 -0.014 0.000 0.203 71 Q C 2.323 178.342 176.000 0.031 0.000 0.976 71 Q CA 1.286 57.052 55.803 -0.062 0.000 0.858 71 Q CB -0.494 28.230 28.738 -0.022 0.000 0.907 71 Q HN 0.465 nan 8.270 nan 0.000 0.433 72 Q N -0.146 119.667 119.800 0.022 0.000 2.079 72 Q HA -0.158 4.173 4.340 -0.014 0.000 0.200 72 Q C 1.898 177.993 176.000 0.159 0.000 0.974 72 Q CA 1.763 57.631 55.803 0.108 0.000 0.840 72 Q CB -0.369 28.412 28.738 0.072 0.000 0.898 72 Q HN 0.538 nan 8.270 nan 0.000 0.430 73 H N -0.795 118.257 119.070 -0.031 0.000 2.319 73 H HA -0.171 4.376 4.556 -0.014 0.000 0.299 73 H C 1.515 176.923 175.328 0.134 0.000 1.092 73 H CA 2.352 58.395 56.048 -0.008 0.000 1.302 73 H CB -0.463 29.230 29.762 -0.116 0.000 1.373 73 H HN 0.482 nan 8.280 nan 0.000 0.497 74 Y N -1.782 118.541 120.300 0.038 0.000 2.224 74 Y HA -0.309 4.233 4.550 -0.014 0.000 0.289 74 Y C 2.353 178.273 175.900 0.034 0.000 1.146 74 Y CA 0.610 58.705 58.100 -0.010 0.000 1.182 74 Y CB -0.297 38.226 38.460 0.105 0.000 0.983 74 Y HN 0.294 nan 8.280 nan 0.000 0.524 75 Y N 1.569 121.950 120.300 0.136 0.000 2.293 75 Y HA -0.203 4.339 4.550 -0.014 0.000 0.291 75 Y C 2.042 177.951 175.900 0.015 0.000 1.137 75 Y CA 1.125 59.264 58.100 0.066 0.000 1.202 75 Y CB -0.208 38.281 38.460 0.048 0.000 0.990 75 Y HN 0.074 nan 8.280 nan 0.000 0.537 76 E N 0.270 120.403 120.200 -0.112 0.000 2.021 76 E HA -0.120 4.222 4.350 -0.014 0.000 0.189 76 E C 1.956 178.439 176.600 -0.195 0.000 0.980 76 E CA 1.080 57.359 56.400 -0.202 0.000 0.803 76 E CB -0.223 29.436 29.700 -0.069 0.000 0.766 76 E HN 0.343 nan 8.360 nan 0.000 0.449 77 K N 0.890 121.174 120.400 -0.194 0.000 2.288 77 K HA -0.079 4.232 4.320 -0.014 0.000 0.201 77 K C 0.140 176.667 176.600 -0.121 0.000 1.048 77 K CA 0.565 56.751 56.287 -0.169 0.000 0.956 77 K CB -0.456 31.897 32.500 -0.245 0.000 0.746 77 K HN 0.114 nan 8.250 nan 0.000 0.461 78 D N 0.835 121.175 120.400 -0.101 0.000 2.737 78 D HA -0.108 4.524 4.640 -0.014 0.000 0.238 78 D C -2.254 174.011 176.300 -0.059 0.000 1.157 78 D CA 0.109 54.070 54.000 -0.066 0.000 0.694 78 D CB -0.205 40.536 40.800 -0.098 0.000 1.021 78 D HN 0.197 nan 8.370 nan 0.000 0.420 79 P HA 0.118 nan 4.420 nan 0.000 0.276 79 P C -0.192 177.056 177.300 -0.087 0.000 1.261 79 P CA -0.653 62.397 63.100 -0.083 0.000 0.800 79 P CB 0.678 32.310 31.700 -0.113 0.000 1.066 80 K N 1.105 121.460 120.400 -0.075 0.000 2.451 80 K HA 0.047 4.358 4.320 -0.014 0.000 0.280 80 K C -0.015 176.498 176.600 -0.145 0.000 1.020 80 K CA -0.037 56.202 56.287 -0.080 0.000 1.008 80 K CB 0.229 32.699 32.500 -0.050 0.000 0.917 80 K HN 0.244 nan 8.250 nan 0.000 0.478 81 R N 3.577 123.978 120.500 -0.166 0.000 2.349 81 R HA 0.387 4.718 4.340 -0.014 0.000 0.299 81 R C -0.635 175.392 176.300 -0.454 0.000 1.027 81 R CA -0.236 55.681 56.100 -0.304 0.000 0.958 81 R CB 0.800 30.901 30.300 -0.332 0.000 1.047 81 R HN 0.536 nan 8.270 nan 0.000 0.468 82 I N 3.910 124.158 120.570 -0.537 0.000 2.362 82 I HA 0.272 4.434 4.170 -0.014 0.000 0.289 82 I C -0.839 174.967 176.117 -0.519 0.000 0.994 82 I CA -0.636 60.310 61.300 -0.590 0.000 1.158 82 I CB 1.078 38.642 38.000 -0.725 0.000 1.315 82 I HN 0.490 nan 8.210 nan 0.000 0.451 83 Y N 5.731 125.990 120.300 -0.068 0.000 2.356 83 Y HA 0.304 4.846 4.550 -0.014 0.000 0.334 83 Y C -0.573 175.425 175.900 0.162 0.000 0.958 83 Y CA -0.691 57.489 58.100 0.133 0.000 1.196 83 Y CB 1.102 39.593 38.460 0.052 0.000 1.137 83 Y HN 0.415 nan 8.280 nan 0.000 0.485 84 Y N 4.670 125.152 120.300 0.303 0.000 2.518 84 Y HA 0.452 4.994 4.550 -0.014 0.000 0.344 84 Y C -1.232 174.935 175.900 0.445 0.000 0.982 84 Y CA -1.036 57.251 58.100 0.313 0.000 1.234 84 Y CB 0.261 38.912 38.460 0.318 0.000 1.114 84 Y HN 0.516 nan 8.280 nan 0.000 0.515 85 L N 4.967 126.249 121.223 0.099 0.000 2.265 85 L HA 0.472 4.804 4.340 -0.014 0.000 0.288 85 L C -0.117 176.770 176.870 0.028 0.000 1.058 85 L CA 0.162 55.111 54.840 0.182 0.000 0.809 85 L CB 1.239 43.374 42.059 0.127 0.000 1.179 85 L HN 0.569 nan 8.230 nan 0.000 0.429 86 S N 2.433 118.228 115.700 0.158 0.000 2.541 86 S HA 0.508 4.970 4.470 -0.014 0.000 0.271 86 S C 0.143 174.823 174.600 0.132 0.000 1.133 86 S CA -0.515 57.674 58.200 -0.018 0.000 0.876 86 S CB 1.030 63.999 63.200 -0.386 0.000 1.105 86 S HN 0.452 nan 8.310 nan 0.000 0.470 87 L N 2.778 124.121 121.223 0.200 0.000 2.591 87 L HA 0.465 4.797 4.340 -0.014 0.000 0.228 87 L C 0.228 177.295 176.870 0.329 0.000 1.133 87 L CA 0.954 55.985 54.840 0.319 0.000 0.880 87 L CB -0.162 42.104 42.059 0.345 0.000 1.033 87 L HN 0.651 nan 8.230 nan 0.000 0.450 88 E N -1.266 118.988 120.200 0.091 0.000 2.292 88 E HA 0.399 4.741 4.350 -0.014 0.000 0.272 88 E C -1.382 175.077 176.600 -0.235 0.000 0.881 88 E CA -0.415 56.019 56.400 0.056 0.000 0.754 88 E CB 1.850 31.568 29.700 0.031 0.000 1.201 88 E HN -0.160 nan 8.360 nan 0.000 0.425 89 F N 2.162 122.220 119.950 0.180 0.000 2.902 89 F HA 0.169 4.688 4.527 -0.014 0.000 0.368 89 F C -0.816 175.068 175.800 0.141 0.000 1.202 89 F CA -0.734 57.362 58.000 0.161 0.000 1.109 89 F CB 0.914 40.003 39.000 0.148 0.000 1.418 89 F HN 0.501 nan 8.300 nan 0.000 0.527 90 Y N 5.048 125.423 120.300 0.124 0.000 2.623 90 Y HA 0.169 4.711 4.550 -0.014 0.000 0.341 90 Y C 1.181 177.102 175.900 0.035 0.000 1.292 90 Y CA -0.920 57.203 58.100 0.039 0.000 1.840 90 Y CB 0.162 38.629 38.460 0.011 0.000 1.865 90 Y HN 0.529 nan 8.280 nan 0.000 0.440 91 M N 0.893 120.625 119.600 0.220 0.000 2.132 91 M HA 0.064 4.536 4.480 -0.014 0.000 0.263 91 M C 1.636 177.915 176.300 -0.034 0.000 1.065 91 M CA 1.232 56.571 55.300 0.064 0.000 1.122 91 M CB -1.345 31.268 32.600 0.021 0.000 1.365 91 M HN 0.631 nan 8.290 nan 0.000 0.411 92 G N 0.838 109.630 108.800 -0.012 0.000 2.553 92 G HA2 -0.263 3.689 3.960 -0.014 0.000 0.242 92 G HA3 -0.263 3.689 3.960 -0.014 0.000 0.242 92 G C -0.319 174.534 174.900 -0.079 0.000 1.277 92 G CA -0.293 44.760 45.100 -0.078 0.000 0.910 92 G HN 0.440 nan 8.290 nan 0.000 0.576 93 R N -0.569 119.864 120.500 -0.111 0.000 2.582 93 R HA 0.536 4.868 4.340 -0.014 0.000 0.271 93 R C 1.112 177.292 176.300 -0.200 0.000 1.078 93 R CA 0.461 56.501 56.100 -0.100 0.000 1.127 93 R CB 0.614 30.858 30.300 -0.093 0.000 1.038 93 R HN 0.531 nan 8.270 nan 0.000 0.500 94 T N 1.485 115.872 114.554 -0.279 0.000 2.969 94 T HA -0.011 4.330 4.350 -0.014 0.000 0.250 94 T C 1.434 175.740 174.700 -0.657 0.000 1.021 94 T CA -0.170 61.553 62.100 -0.629 0.000 1.003 94 T CB 0.138 68.253 68.868 -1.254 0.000 1.040 94 T HN 0.331 nan 8.240 nan 0.000 0.492 95 L N 2.018 123.102 121.223 -0.231 0.000 1.970 95 L HA -0.060 4.271 4.340 -0.014 0.000 0.212 95 L C 2.466 179.308 176.870 -0.047 0.000 1.071 95 L CA 2.041 56.908 54.840 0.045 0.000 0.751 95 L CB -0.700 41.586 42.059 0.378 0.000 0.889 95 L HN 0.182 nan 8.230 nan 0.000 0.432 96 Q N -0.861 118.906 119.800 -0.056 0.000 2.119 96 Q HA -0.244 4.088 4.340 -0.014 0.000 0.201 96 Q C 2.187 178.116 176.000 -0.119 0.000 0.972 96 Q CA 1.720 57.481 55.803 -0.069 0.000 0.847 96 Q CB -0.335 28.360 28.738 -0.073 0.000 0.903 96 Q HN 0.694 nan 8.270 nan 0.000 0.433 97 N N -0.821 117.769 118.700 -0.184 0.000 2.223 97 N HA -0.128 4.603 4.740 -0.014 0.000 0.185 97 N C 1.235 176.638 175.510 -0.179 0.000 1.016 97 N CA 1.706 54.638 53.050 -0.196 0.000 0.863 97 N CB 0.088 38.425 38.487 -0.251 0.000 0.983 97 N HN 0.233 nan 8.380 nan 0.000 0.429 98 T N 1.125 115.544 114.554 -0.226 0.000 2.812 98 T HA 0.008 4.349 4.350 -0.014 0.000 0.264 98 T C 2.092 176.731 174.700 -0.101 0.000 1.042 98 T CA 0.846 62.830 62.100 -0.194 0.000 1.140 98 T CB -0.003 68.709 68.868 -0.261 0.000 0.870 98 T HN 0.243 nan 8.240 nan 0.000 0.445 99 M N 0.715 120.271 119.600 -0.074 0.000 2.117 99 M HA -0.088 4.384 4.480 -0.014 0.000 0.262 99 M C 2.480 178.749 176.300 -0.052 0.000 1.065 99 M CA 1.275 56.544 55.300 -0.051 0.000 1.114 99 M CB -0.730 31.853 32.600 -0.029 0.000 1.361 99 M HN 0.095 nan 8.290 nan 0.000 0.408 100 V N 1.031 120.920 119.914 -0.043 0.000 2.287 100 V HA -0.279 3.832 4.120 -0.014 0.000 0.248 100 V C 1.697 177.807 176.094 0.027 0.000 1.053 100 V CA 2.078 64.379 62.300 0.001 0.000 1.027 100 V CB -0.934 30.890 31.823 0.002 0.000 0.646 100 V HN 0.477 nan 8.190 nan 0.000 0.447 101 N N -0.433 118.270 118.700 0.005 0.000 2.512 101 N HA -0.041 4.691 4.740 -0.014 0.000 0.183 101 N C 0.989 176.420 175.510 -0.132 0.000 1.073 101 N CA 0.637 53.677 53.050 -0.018 0.000 0.911 101 N CB -0.033 38.449 38.487 -0.009 0.000 0.964 101 N HN 0.286 nan 8.380 nan 0.000 0.447 102 L N -0.555 120.605 121.223 -0.105 0.000 2.693 102 L HA 0.427 4.758 4.340 -0.014 0.000 0.235 102 L C 0.551 177.354 176.870 -0.111 0.000 1.127 102 L CA -0.245 54.534 54.840 -0.103 0.000 0.914 102 L CB -0.628 41.391 42.059 -0.066 0.000 1.193 102 L HN 0.070 nan 8.230 nan 0.000 0.502 103 A N -0.254 122.497 122.820 -0.114 0.000 2.822 103 A HA -0.225 4.086 4.320 -0.014 0.000 0.287 103 A C 1.119 178.657 177.584 -0.077 0.000 1.479 103 A CA 1.239 53.219 52.037 -0.095 0.000 0.779 103 A CB -2.046 16.883 19.000 -0.118 0.000 1.022 103 A HN 0.327 nan 8.150 nan 0.000 0.532 104 L N -1.576 119.600 121.223 -0.079 0.000 2.693 104 L HA 0.152 4.483 4.340 -0.014 0.000 0.235 104 L C 1.898 178.733 176.870 -0.059 0.000 1.127 104 L CA 0.682 55.469 54.840 -0.088 0.000 0.914 104 L CB 0.045 42.018 42.059 -0.144 0.000 1.193 104 L HN 0.646 nan 8.230 nan 0.000 0.502 105 E N 1.019 121.194 120.200 -0.042 0.000 2.049 105 E HA -0.257 4.084 4.350 -0.014 0.000 0.198 105 E C 1.703 178.288 176.600 -0.024 0.000 1.007 105 E CA 1.686 58.070 56.400 -0.027 0.000 0.809 105 E CB 0.233 29.919 29.700 -0.022 0.000 0.749 105 E HN 0.414 nan 8.360 nan 0.000 0.450 106 N N -0.202 118.482 118.700 -0.027 0.000 2.216 106 N HA -0.086 4.646 4.740 -0.014 0.000 0.183 106 N C 1.536 177.031 175.510 -0.025 0.000 1.017 106 N CA 1.097 54.130 53.050 -0.027 0.000 0.861 106 N CB -0.298 38.173 38.487 -0.026 0.000 0.986 106 N HN 0.224 nan 8.380 nan 0.000 0.428 107 A N 0.592 123.396 122.820 -0.028 0.000 1.877 107 A HA -0.146 4.165 4.320 -0.014 0.000 0.216 107 A C 2.648 180.220 177.584 -0.020 0.000 1.186 107 A CA 1.340 53.363 52.037 -0.024 0.000 0.620 107 A CB -1.026 17.954 19.000 -0.034 0.000 0.822 107 A HN 0.424 nan 8.150 nan 0.000 0.443 108 C N -0.789 118.496 119.300 -0.025 0.000 2.440 108 C HA -0.066 4.386 4.460 -0.014 0.000 0.278 108 C C 2.468 177.451 174.990 -0.012 0.000 1.295 108 C CA 1.190 60.199 59.018 -0.014 0.000 1.738 108 C CB -1.202 26.537 27.740 -0.002 0.000 1.987 108 C HN 0.775 nan 8.230 nan 0.000 0.492 109 D N 0.731 121.126 120.400 -0.008 0.000 2.117 109 D HA -0.157 4.475 4.640 -0.014 0.000 0.197 109 D C 2.091 178.402 176.300 0.018 0.000 0.987 109 D CA 1.593 55.592 54.000 -0.002 0.000 0.829 109 D CB -0.173 40.617 40.800 -0.017 0.000 0.961 109 D HN 0.449 nan 8.370 nan 0.000 0.460 110 E N 0.160 120.366 120.200 0.011 0.000 2.028 110 E HA -0.030 4.311 4.350 -0.014 0.000 0.191 110 E C 1.946 178.585 176.600 0.065 0.000 0.988 110 E CA 1.608 58.037 56.400 0.049 0.000 0.799 110 E CB -0.760 28.952 29.700 0.020 0.000 0.755 110 E HN 0.237 nan 8.360 nan 0.000 0.447 111 A N -0.027 122.795 122.820 0.004 0.000 1.917 111 A HA -0.243 4.068 4.320 -0.014 0.000 0.219 111 A C 2.493 180.001 177.584 -0.126 0.000 1.182 111 A CA 3.073 55.083 52.037 -0.044 0.000 0.633 111 A CB -1.539 17.436 19.000 -0.042 0.000 0.819 111 A HN 0.537 nan 8.150 nan 0.000 0.448 112 T N -3.830 110.643 114.554 -0.135 0.000 2.867 112 T HA -0.194 4.148 4.350 -0.014 0.000 0.268 112 T C 1.834 176.451 174.700 -0.138 0.000 1.057 112 T CA 1.472 63.432 62.100 -0.233 0.000 1.136 112 T CB -0.556 68.215 68.868 -0.163 0.000 0.874 112 T HN 0.467 nan 8.240 nan 0.000 0.466 113 Y N 2.220 122.437 120.300 -0.138 0.000 2.145 113 Y HA -0.092 4.450 4.550 -0.013 0.000 0.286 113 Y C 2.626 178.463 175.900 -0.106 0.000 1.145 113 Y CA 1.554 59.593 58.100 -0.102 0.000 1.148 113 Y CB -0.642 37.777 38.460 -0.068 0.000 0.981 113 Y HN 0.230 nan 8.280 nan 0.000 0.507 114 Q N -0.236 119.465 119.800 -0.165 0.000 2.291 114 Q HA -0.122 4.210 4.340 -0.014 0.000 0.206 114 Q C 1.752 177.607 176.000 -0.242 0.000 0.976 114 Q CA 1.297 56.963 55.803 -0.228 0.000 0.875 114 Q CB -0.130 28.563 28.738 -0.076 0.000 0.927 114 Q HN 0.522 nan 8.270 nan 0.000 0.450 115 L N -0.971 120.098 121.223 -0.258 0.000 2.611 115 L HA 0.179 4.511 4.340 -0.014 0.000 0.229 115 L C 0.910 177.616 176.870 -0.274 0.000 1.137 115 L CA 0.184 54.867 54.840 -0.261 0.000 0.901 115 L CB 0.146 41.978 42.059 -0.378 0.000 1.098 115 L HN 0.312 nan 8.230 nan 0.000 0.456 116 G N 0.913 109.532 108.800 -0.302 0.000 2.160 116 G HA2 -0.262 3.690 3.960 -0.014 0.000 0.244 116 G HA3 -0.262 3.690 3.960 -0.014 0.000 0.244 116 G C -0.159 174.608 174.900 -0.222 0.000 1.022 116 G CA -0.034 44.906 45.100 -0.266 0.000 0.741 116 G HN 0.251 nan 8.290 nan 0.000 0.508 117 L N -0.133 120.955 121.223 -0.225 0.000 2.362 117 L HA 0.541 4.872 4.340 -0.014 0.000 0.271 117 L C -0.531 176.305 176.870 -0.057 0.000 1.002 117 L CA -1.160 53.575 54.840 -0.174 0.000 0.818 117 L CB 1.905 43.791 42.059 -0.288 0.000 1.298 117 L HN 0.080 nan 8.230 nan 0.000 0.420 118 D N 2.619 123.017 120.400 -0.004 0.000 2.347 118 D HA 0.132 4.764 4.640 -0.014 0.000 0.235 118 D C 0.648 176.974 176.300 0.043 0.000 1.149 118 D CA -0.170 53.854 54.000 0.040 0.000 0.850 118 D CB 1.521 42.350 40.800 0.048 0.000 1.061 118 D HN 0.530 nan 8.370 nan 0.000 0.487 119 M N 3.574 123.199 119.600 0.042 0.000 2.117 119 M HA -0.188 4.284 4.480 -0.014 0.000 0.262 119 M C 1.606 177.943 176.300 0.062 0.000 1.065 119 M CA 1.576 56.907 55.300 0.053 0.000 1.114 119 M CB 0.087 32.710 32.600 0.039 0.000 1.361 119 M HN 0.480 nan 8.290 nan 0.000 0.408 120 E N -0.804 119.424 120.200 0.045 0.000 2.482 120 E HA -0.199 4.143 4.350 -0.014 0.000 0.196 120 E C 1.611 178.238 176.600 0.045 0.000 1.047 120 E CA 0.913 57.337 56.400 0.039 0.000 0.869 120 E CB -0.368 29.348 29.700 0.027 0.000 0.836 120 E HN 0.713 nan 8.360 nan 0.000 0.520 121 E N 1.165 121.399 120.200 0.056 0.000 2.122 121 E HA -0.071 4.271 4.350 -0.014 0.000 0.190 121 E C 2.038 178.678 176.600 0.066 0.000 0.977 121 E CA 0.340 56.776 56.400 0.059 0.000 0.820 121 E CB 0.074 29.813 29.700 0.065 0.000 0.770 121 E HN 0.365 nan 8.360 nan 0.000 0.462 122 L N 0.788 122.071 121.223 0.100 0.000 2.109 122 L HA -0.107 4.224 4.340 -0.014 0.000 0.207 122 L C 2.271 179.191 176.870 0.083 0.000 1.086 122 L CA 1.072 56.004 54.840 0.152 0.000 0.760 122 L CB -0.346 41.860 42.059 0.246 0.000 0.910 122 L HN 0.135 nan 8.230 nan 0.000 0.437 123 E N -0.001 120.239 120.200 0.066 0.000 2.153 123 E HA -0.198 4.144 4.350 -0.014 0.000 0.194 123 E C 1.893 178.438 176.600 -0.092 0.000 0.988 123 E CA 0.753 57.159 56.400 0.009 0.000 0.811 123 E CB 0.029 29.744 29.700 0.025 0.000 0.746 123 E HN 0.390 nan 8.360 nan 0.000 0.466 124 E N 0.332 120.498 120.200 -0.056 0.000 2.418 124 E HA -0.097 4.245 4.350 -0.014 0.000 0.197 124 E C 1.880 178.410 176.600 -0.118 0.000 1.026 124 E CA 0.509 56.876 56.400 -0.054 0.000 0.862 124 E CB 0.070 29.776 29.700 0.011 0.000 0.799 124 E HN 0.424 nan 8.360 nan 0.000 0.518 125 I N 0.829 121.269 120.570 -0.217 0.000 2.617 125 I HA -0.104 4.058 4.170 -0.014 0.000 0.256 125 I C 1.385 177.207 176.117 -0.493 0.000 1.167 125 I CA 0.175 61.293 61.300 -0.303 0.000 1.469 125 I CB 0.042 37.879 38.000 -0.271 0.000 1.098 125 I HN -0.011 nan 8.210 nan 0.000 0.436 126 E N 2.473 122.234 120.200 -0.731 0.000 2.415 126 E HA -0.085 4.256 4.350 -0.014 0.000 0.263 126 E C -0.041 176.452 176.600 -0.179 0.000 0.995 126 E CA -0.130 55.892 56.400 -0.630 0.000 0.915 126 E CB 0.603 30.015 29.700 -0.481 0.000 0.951 126 E HN 0.062 nan 8.360 nan 0.000 0.449 127 E N 2.981 123.172 120.200 -0.015 0.000 2.354 127 E HA 0.093 4.434 4.350 -0.014 0.000 0.269 127 E C -1.228 175.470 176.600 0.162 0.000 1.036 127 E CA -0.241 56.237 56.400 0.130 0.000 0.876 127 E CB 0.824 30.690 29.700 0.275 0.000 1.009 127 E HN 0.381 nan 8.360 nan 0.000 0.416 128 D N 1.457 121.929 120.400 0.121 0.000 2.389 128 D HA 0.288 4.920 4.640 -0.014 0.000 0.247 128 D C -0.807 175.523 176.300 0.050 0.000 1.128 128 D CA 0.153 54.196 54.000 0.071 0.000 0.884 128 D CB 0.976 41.801 40.800 0.042 0.000 1.194 128 D HN 0.421 nan 8.370 nan 0.000 0.441 129 A N 2.389 125.190 122.820 -0.031 0.000 2.807 129 A HA 0.479 4.790 4.320 -0.014 0.000 0.307 129 A C 0.925 178.350 177.584 -0.265 0.000 1.532 129 A CA -0.510 51.314 52.037 -0.355 0.000 1.215 129 A CB -0.258 18.614 19.000 -0.214 0.000 1.127 129 A HN 0.538 nan 8.150 nan 0.000 0.543 130 G N 2.015 110.617 108.800 -0.329 0.000 3.717 130 G HA2 0.423 4.375 3.960 -0.014 0.000 0.258 130 G HA3 0.423 4.375 3.960 -0.014 0.000 0.258 130 G C 0.287 174.954 174.900 -0.389 0.000 1.088 130 G CA -0.302 44.682 45.100 -0.193 0.000 1.737 130 G HN 0.689 nan 8.290 nan 0.000 0.648 131 L N 1.443 122.487 121.223 -0.298 0.000 2.862 131 L HA 0.374 4.705 4.340 -0.014 0.000 0.240 131 L C 1.044 177.816 176.870 -0.163 0.000 1.283 131 L CA -0.220 54.533 54.840 -0.145 0.000 1.117 131 L CB -0.334 41.778 42.059 0.089 0.000 1.444 131 L HN 0.351 nan 8.230 nan 0.000 0.456 132 G N -1.270 107.201 108.800 -0.548 0.000 2.660 132 G HA2 0.223 4.174 3.960 -0.014 0.000 0.290 132 G HA3 0.223 4.174 3.960 -0.014 0.000 0.290 132 G C -0.136 174.304 174.900 -0.767 0.000 1.432 132 G CA -0.427 44.342 45.100 -0.553 0.000 0.807 132 G HN -0.090 nan 8.290 nan 0.000 0.485 133 N N -0.880 117.610 118.700 -0.350 0.000 2.436 133 N HA 0.213 4.945 4.740 -0.014 0.000 0.178 133 N C 1.145 176.667 175.510 0.019 0.000 1.026 133 N CA 1.273 54.215 53.050 -0.181 0.000 0.880 133 N CB 1.273 39.755 38.487 -0.008 0.000 1.061 133 N HN 0.802 nan 8.380 nan 0.000 0.434 134 G N -0.664 108.228 108.800 0.154 0.000 2.947 134 G HA2 0.189 4.141 3.960 -0.014 0.000 0.115 134 G HA3 0.189 4.141 3.960 -0.014 0.000 0.115 134 G C 0.771 175.804 174.900 0.222 0.000 1.214 134 G CA 0.262 45.538 45.100 0.293 0.000 1.324 134 G HN 0.172 nan 8.290 nan 0.000 0.645 135 G N 0.550 109.426 108.800 0.126 0.000 2.491 135 G HA2 -0.156 3.795 3.960 -0.014 0.000 0.218 135 G HA3 -0.156 3.795 3.960 -0.014 0.000 0.218 135 G C 1.917 176.824 174.900 0.012 0.000 1.180 135 G CA 1.645 46.781 45.100 0.061 0.000 0.774 135 G HN 0.874 nan 8.290 nan 0.000 0.562 136 L N 0.659 121.855 121.223 -0.045 0.000 2.012 136 L HA 0.053 4.384 4.340 -0.014 0.000 0.210 136 L C 2.832 179.639 176.870 -0.106 0.000 1.073 136 L CA 2.177 56.891 54.840 -0.210 0.000 0.748 136 L CB -0.577 41.289 42.059 -0.322 0.000 0.891 136 L HN 0.245 nan 8.230 nan 0.000 0.431 137 G N -0.936 107.864 108.800 0.001 0.000 2.403 137 G HA2 -0.226 3.725 3.960 -0.014 0.000 0.216 137 G HA3 -0.226 3.725 3.960 -0.014 0.000 0.216 137 G C 1.698 176.678 174.900 0.134 0.000 1.154 137 G CA 0.229 45.356 45.100 0.046 0.000 0.784 137 G HN 0.180 nan 8.290 nan 0.000 0.538 138 R N 0.105 120.709 120.500 0.174 0.000 2.090 138 R HA 0.101 4.433 4.340 -0.014 0.000 0.228 138 R C 2.445 178.759 176.300 0.023 0.000 1.110 138 R CA 0.700 56.873 56.100 0.121 0.000 0.973 138 R CB -0.947 29.383 30.300 0.049 0.000 0.869 138 R HN 0.398 nan 8.270 nan 0.000 0.440 139 L N 0.723 121.895 121.223 -0.085 0.000 2.046 139 L HA -0.079 4.253 4.340 -0.014 0.000 0.208 139 L C 2.182 178.771 176.870 -0.468 0.000 1.077 139 L CA 2.175 56.820 54.840 -0.324 0.000 0.747 139 L CB -0.714 41.128 42.059 -0.362 0.000 0.896 139 L HN 0.180 nan 8.230 nan 0.000 0.432 140 A N -0.635 122.059 122.820 -0.211 0.000 1.933 140 A HA -0.133 4.178 4.320 -0.014 0.000 0.218 140 A C 2.436 180.093 177.584 0.120 0.000 1.175 140 A CA 1.828 53.821 52.037 -0.074 0.000 0.628 140 A CB -1.104 17.815 19.000 -0.135 0.000 0.814 140 A HN 0.571 nan 8.150 nan 0.000 0.444 141 A N -1.085 121.831 122.820 0.161 0.000 1.873 141 A HA -0.142 4.169 4.320 -0.014 0.000 0.215 141 A C 2.304 179.969 177.584 0.134 0.000 1.186 141 A CA 1.598 53.751 52.037 0.193 0.000 0.616 141 A CB -1.259 17.841 19.000 0.167 0.000 0.823 141 A HN 0.588 nan 8.150 nan 0.000 0.442 142 C N -1.390 117.988 119.300 0.129 0.000 2.425 142 C HA -0.063 4.389 4.460 -0.014 0.000 0.277 142 C C 2.433 177.591 174.990 0.280 0.000 1.280 142 C CA 0.587 59.721 59.018 0.193 0.000 1.744 142 C CB -1.614 26.262 27.740 0.228 0.000 1.989 142 C HN 0.599 nan 8.230 nan 0.000 0.491 143 F N 1.175 121.115 119.950 -0.017 0.000 2.134 143 F HA -0.060 4.458 4.527 -0.015 0.000 0.299 143 F C 2.245 177.989 175.800 -0.093 0.000 1.097 143 F CA 1.018 58.954 58.000 -0.108 0.000 1.264 143 F CB -1.401 37.393 39.000 -0.343 0.000 1.001 143 F HN 0.186 nan 8.300 nan 0.000 0.479 144 L N -0.394 120.910 121.223 0.134 0.000 2.042 144 L HA -0.253 4.079 4.340 -0.014 0.000 0.210 144 L C 2.399 179.285 176.870 0.026 0.000 1.076 144 L CA 1.892 56.766 54.840 0.056 0.000 0.749 144 L CB -0.741 41.351 42.059 0.056 0.000 0.893 144 L HN 0.187 nan 8.230 nan 0.000 0.432 145 D N -0.275 120.151 120.400 0.042 0.000 2.117 145 D HA -0.162 4.469 4.640 -0.014 0.000 0.197 145 D C 2.078 178.397 176.300 0.032 0.000 0.987 145 D CA 1.590 55.600 54.000 0.017 0.000 0.829 145 D CB 0.340 41.147 40.800 0.011 0.000 0.961 145 D HN 0.227 nan 8.370 nan 0.000 0.460 146 S N -0.052 115.683 115.700 0.059 0.000 2.368 146 S HA -0.065 4.397 4.470 -0.014 0.000 0.224 146 S C 2.138 176.753 174.600 0.025 0.000 1.029 146 S CA 0.750 58.976 58.200 0.043 0.000 0.988 146 S CB -0.103 63.126 63.200 0.049 0.000 0.838 146 S HN 0.342 nan 8.310 nan 0.000 0.462 147 M N 0.983 120.592 119.600 0.014 0.000 2.213 147 M HA -0.088 4.383 4.480 -0.014 0.000 0.263 147 M C 2.381 178.690 176.300 0.015 0.000 1.062 147 M CA 1.366 56.674 55.300 0.012 0.000 1.105 147 M CB -0.496 32.096 32.600 -0.013 0.000 1.385 147 M HN 0.386 nan 8.290 nan 0.000 0.417 148 A N -0.386 122.440 122.820 0.009 0.000 1.930 148 A HA -0.076 4.236 4.320 -0.014 0.000 0.215 148 A C 2.146 179.750 177.584 0.033 0.000 1.176 148 A CA 1.662 53.707 52.037 0.014 0.000 0.632 148 A CB -0.862 18.129 19.000 -0.015 0.000 0.819 148 A HN 0.395 nan 8.150 nan 0.000 0.445 149 T N 0.219 114.798 114.554 0.040 0.000 2.995 149 T HA 0.069 4.411 4.350 -0.014 0.000 0.269 149 T C 1.174 175.908 174.700 0.057 0.000 1.091 149 T CA 0.848 62.986 62.100 0.063 0.000 1.128 149 T CB -0.225 68.688 68.868 0.075 0.000 0.891 149 T HN 0.331 nan 8.240 nan 0.000 0.492 150 L N 0.493 121.746 121.223 0.049 0.000 2.741 150 L HA 0.331 4.662 4.340 -0.014 0.000 0.237 150 L C 1.576 178.481 176.870 0.059 0.000 1.178 150 L CA -0.200 54.670 54.840 0.051 0.000 0.973 150 L CB -0.313 41.774 42.059 0.047 0.000 1.255 150 L HN 0.355 nan 8.230 nan 0.000 0.498 151 G N 0.930 109.771 108.800 0.068 0.000 2.283 151 G HA2 -0.282 3.670 3.960 -0.014 0.000 0.280 151 G HA3 -0.282 3.670 3.960 -0.014 0.000 0.280 151 G C -0.108 174.847 174.900 0.092 0.000 1.029 151 G CA -0.011 45.150 45.100 0.100 0.000 0.840 151 G HN 0.156 nan 8.290 nan 0.000 0.505 152 L N 0.299 121.547 121.223 0.042 0.000 2.350 152 L HA 0.677 5.009 4.340 -0.014 0.000 0.275 152 L C 1.097 177.869 176.870 -0.163 0.000 1.099 152 L CA 0.005 54.824 54.840 -0.036 0.000 0.808 152 L CB 1.379 43.431 42.059 -0.011 0.000 1.149 152 L HN 0.455 nan 8.230 nan 0.000 0.442 153 A N 3.504 126.091 122.820 -0.389 0.000 3.037 153 A HA 0.632 4.943 4.320 -0.014 0.000 0.272 153 A C 0.308 177.602 177.584 -0.484 0.000 1.723 153 A CA -0.054 51.496 52.037 -0.812 0.000 1.413 153 A CB -0.926 17.454 19.000 -1.035 0.000 1.112 153 A HN 0.701 nan 8.150 nan 0.000 0.606 154 A N 1.314 123.896 122.820 -0.398 0.000 2.325 154 A HA 0.805 5.116 4.320 -0.014 0.000 0.333 154 A C -1.100 176.263 177.584 -0.368 0.000 1.155 154 A CA -0.429 51.430 52.037 -0.297 0.000 0.814 154 A CB 0.725 19.607 19.000 -0.196 0.000 1.206 154 A HN 0.584 nan 8.150 nan 0.000 0.482 155 Y N 0.087 120.342 120.300 -0.076 0.000 2.373 155 Y HA 0.543 5.085 4.550 -0.014 0.000 0.336 155 Y C 0.761 176.764 175.900 0.172 0.000 0.979 155 Y CA -0.686 57.446 58.100 0.053 0.000 1.080 155 Y CB 2.218 40.804 38.460 0.211 0.000 1.190 155 Y HN 0.833 nan 8.280 nan 0.000 0.446 156 G N 2.181 111.072 108.800 0.151 0.000 2.325 156 G HA2 0.449 4.400 3.960 -0.014 0.000 0.298 156 G HA3 0.449 4.400 3.960 -0.014 0.000 0.298 156 G C -1.719 173.207 174.900 0.043 0.000 1.134 156 G CA -0.274 44.947 45.100 0.202 0.000 0.876 156 G HN 0.511 nan 8.290 nan 0.000 0.452 157 Y N 1.116 121.660 120.300 0.407 0.000 2.350 157 Y HA 0.630 5.172 4.550 -0.014 0.000 0.338 157 Y C 0.783 177.004 175.900 0.535 0.000 0.961 157 Y CA 0.229 58.537 58.100 0.347 0.000 1.100 157 Y CB 2.652 41.335 38.460 0.370 0.000 1.179 157 Y HN 0.862 nan 8.280 nan 0.000 0.454 158 G N 2.362 111.490 108.800 0.547 0.000 2.772 158 G HA2 0.600 4.552 3.960 -0.014 0.000 0.284 158 G HA3 0.600 4.552 3.960 -0.014 0.000 0.284 158 G C -1.716 173.437 174.900 0.421 0.000 1.217 158 G CA -0.799 44.657 45.100 0.594 0.000 0.831 158 G HN 0.426 nan 8.290 nan 0.000 0.523 159 I N 0.454 121.175 120.570 0.252 0.000 2.474 159 I HA 0.451 4.612 4.170 -0.014 0.000 0.294 159 I C 0.095 176.145 176.117 -0.112 0.000 1.005 159 I CA -0.756 60.577 61.300 0.055 0.000 1.113 159 I CB 2.357 40.189 38.000 -0.280 0.000 1.289 159 I HN 0.368 nan 8.210 nan 0.000 0.436 160 R N 6.083 126.600 120.500 0.029 0.000 2.593 160 R HA 0.279 4.610 4.340 -0.014 0.000 0.282 160 R C -1.334 175.027 176.300 0.101 0.000 1.300 160 R CA -0.400 55.751 56.100 0.085 0.000 1.221 160 R CB 0.026 30.344 30.300 0.031 0.000 1.157 160 R HN 0.438 nan 8.270 nan 0.000 0.555 161 Y N 2.032 122.500 120.300 0.281 0.000 2.442 161 Y HA -0.037 4.504 4.550 -0.014 0.000 0.330 161 Y C 1.556 177.656 175.900 0.333 0.000 1.129 161 Y CA 0.004 58.263 58.100 0.263 0.000 1.365 161 Y CB 1.046 39.637 38.460 0.218 0.000 1.233 161 Y HN 0.604 nan 8.280 nan 0.000 0.529 162 E N 1.688 122.092 120.200 0.341 0.000 2.371 162 E HA -0.008 4.334 4.350 -0.014 0.000 0.194 162 E C -0.769 175.768 176.600 -0.105 0.000 1.012 162 E CA 0.559 56.999 56.400 0.066 0.000 0.860 162 E CB 0.118 29.714 29.700 -0.174 0.000 0.811 162 E HN 0.455 nan 8.360 nan 0.000 0.502 163 F N 0.987 121.174 119.950 0.395 0.000 2.496 163 F HA 0.478 4.996 4.527 -0.014 0.000 0.341 163 F C 0.823 176.721 175.800 0.163 0.000 1.134 163 F CA -0.963 57.216 58.000 0.297 0.000 0.968 163 F CB 2.080 41.184 39.000 0.173 0.000 1.205 163 F HN -0.036 nan 8.300 nan 0.000 0.436 164 G N 1.946 110.860 108.800 0.190 0.000 2.582 164 G HA2 0.321 4.272 3.960 -0.014 0.000 0.232 164 G HA3 0.321 4.272 3.960 -0.014 0.000 0.232 164 G C -0.466 174.394 174.900 -0.066 0.000 1.458 164 G CA -0.673 44.379 45.100 -0.079 0.000 1.062 164 G HN 0.524 nan 8.290 nan 0.000 0.566 165 I N 0.941 121.390 120.570 -0.201 0.000 2.752 165 I HA 0.208 4.369 4.170 -0.014 0.000 0.289 165 I C 0.525 176.548 176.117 -0.158 0.000 1.197 165 I CA -1.162 59.992 61.300 -0.242 0.000 1.432 165 I CB -0.330 37.427 38.000 -0.404 0.000 1.359 165 I HN 0.332 nan 8.210 nan 0.000 0.571 166 F N 6.412 126.375 119.950 0.022 0.000 2.595 166 F HA 0.253 4.771 4.527 -0.014 0.000 0.359 166 F C 0.463 176.316 175.800 0.089 0.000 1.147 166 F CA -0.535 57.502 58.000 0.061 0.000 1.341 166 F CB -0.310 38.713 39.000 0.039 0.000 1.104 166 F HN 0.435 nan 8.300 nan 0.000 0.603 167 N N 2.498 121.385 118.700 0.313 0.000 2.488 167 N HA 0.053 4.785 4.740 -0.014 0.000 0.274 167 N C -0.819 174.931 175.510 0.400 0.000 1.111 167 N CA -0.268 52.934 53.050 0.253 0.000 0.974 167 N CB 1.178 39.802 38.487 0.229 0.000 1.089 167 N HN 0.763 nan 8.380 nan 0.000 0.465 168 Q N 2.402 122.406 119.800 0.341 0.000 2.274 168 Q HA 0.233 4.565 4.340 -0.014 0.000 0.256 168 Q C -0.980 175.194 176.000 0.290 0.000 0.927 168 Q CA -0.250 55.791 55.803 0.397 0.000 0.939 168 Q CB 0.790 29.765 28.738 0.395 0.000 1.201 168 Q HN 0.337 nan 8.270 nan 0.000 0.426 169 K N 3.697 124.246 120.400 0.248 0.000 2.318 169 K HA 0.509 4.821 4.320 -0.014 0.000 0.249 169 K C -0.931 175.773 176.600 0.173 0.000 0.942 169 K CA -0.954 55.456 56.287 0.205 0.000 0.808 169 K CB 1.564 34.167 32.500 0.173 0.000 1.189 169 K HN 0.555 nan 8.250 nan 0.000 0.428 170 I N 2.189 122.851 120.570 0.154 0.000 2.362 170 I HA 0.250 4.411 4.170 -0.014 0.000 0.289 170 I C -0.490 175.691 176.117 0.107 0.000 0.994 170 I CA -0.736 60.629 61.300 0.108 0.000 1.158 170 I CB 0.935 38.977 38.000 0.071 0.000 1.315 170 I HN 0.590 nan 8.210 nan 0.000 0.451 171 C N 3.967 123.342 119.300 0.125 0.000 2.322 171 C HA 0.596 5.047 4.460 -0.014 0.000 0.324 171 C C 1.115 176.219 174.990 0.190 0.000 1.249 171 C CA -0.399 58.697 59.018 0.132 0.000 1.453 171 C CB 0.490 28.299 27.740 0.116 0.000 2.145 171 C HN 1.097 nan 8.230 nan 0.000 0.466 172 G N 2.480 111.362 108.800 0.137 0.000 2.225 172 G HA2 0.107 4.058 3.960 -0.014 0.000 0.267 172 G HA3 0.107 4.058 3.960 -0.014 0.000 0.267 172 G C 1.093 176.018 174.900 0.041 0.000 1.024 172 G CA 0.997 46.189 45.100 0.153 0.000 0.784 172 G HN 2.373 nan 8.290 nan 0.000 0.507 173 G N -2.876 105.893 108.800 -0.052 0.000 2.179 173 G HA2 -0.293 3.659 3.960 -0.014 0.000 0.260 173 G HA3 -0.293 3.659 3.960 -0.014 0.000 0.260 173 G C 0.392 175.068 174.900 -0.373 0.000 0.977 173 G CA 0.664 45.612 45.100 -0.254 0.000 0.641 173 G HN 1.197 nan 8.290 nan 0.000 0.533 174 W N 0.963 122.212 121.300 -0.085 0.000 2.449 174 W HA 0.661 5.312 4.660 -0.014 0.000 0.331 174 W C 0.671 177.142 176.519 -0.081 0.000 1.119 174 W CA -0.783 56.505 57.345 -0.094 0.000 1.240 174 W CB 0.760 30.179 29.460 -0.068 0.000 1.251 174 W HN 0.255 nan 8.180 nan 0.000 0.576 175 Q N 2.955 122.854 119.800 0.166 0.000 2.314 175 Q HA 0.280 4.612 4.340 -0.014 0.000 0.258 175 Q C -0.677 175.382 176.000 0.099 0.000 0.954 175 Q CA 0.049 55.919 55.803 0.112 0.000 0.890 175 Q CB 0.597 29.392 28.738 0.095 0.000 1.210 175 Q HN 0.316 nan 8.270 nan 0.000 0.410 176 M N 3.191 122.844 119.600 0.089 0.000 2.321 176 M HA 0.367 4.838 4.480 -0.014 0.000 0.315 176 M C -1.205 175.104 176.300 0.016 0.000 1.052 176 M CA -0.695 54.626 55.300 0.034 0.000 0.936 176 M CB 1.770 34.406 32.600 0.060 0.000 1.639 176 M HN 0.614 nan 8.290 nan 0.000 0.433 177 E N 1.402 121.532 120.200 -0.117 0.000 2.216 177 E HA 0.489 4.830 4.350 -0.014 0.000 0.279 177 E C -0.847 175.745 176.600 -0.013 0.000 0.997 177 E CA -0.350 55.937 56.400 -0.189 0.000 0.817 177 E CB 1.687 31.000 29.700 -0.645 0.000 1.096 177 E HN 0.461 nan 8.360 nan 0.000 0.393 178 E N 1.138 121.422 120.200 0.139 0.000 2.272 178 E HA 0.585 4.926 4.350 -0.014 0.000 0.269 178 E C -1.212 175.497 176.600 0.181 0.000 0.877 178 E CA -1.146 55.333 56.400 0.131 0.000 0.755 178 E CB 1.341 31.134 29.700 0.155 0.000 1.192 178 E HN 0.620 nan 8.360 nan 0.000 0.422 179 A N 3.259 126.146 122.820 0.111 0.000 2.546 179 A HA 0.007 4.319 4.320 -0.014 0.000 0.243 179 A C -0.055 177.719 177.584 0.317 0.000 1.063 179 A CA 0.309 52.427 52.037 0.134 0.000 0.757 179 A CB 0.096 19.055 19.000 -0.068 0.000 0.991 179 A HN 0.641 nan 8.150 nan 0.000 0.503 180 D N 1.734 122.393 120.400 0.431 0.000 2.500 180 D HA 0.229 4.861 4.640 -0.014 0.000 0.219 180 D C -0.497 176.121 176.300 0.530 0.000 1.137 180 D CA -0.258 53.987 54.000 0.408 0.000 0.946 180 D CB 0.364 41.332 40.800 0.280 0.000 1.022 180 D HN 0.385 nan 8.370 nan 0.000 0.518 181 D N 3.648 124.322 120.400 0.457 0.000 2.688 181 D HA -0.015 4.616 4.640 -0.014 0.000 0.228 181 D C 1.091 177.511 176.300 0.201 0.000 1.116 181 D CA -0.548 53.600 54.000 0.245 0.000 1.023 181 D CB -0.116 40.855 40.800 0.285 0.000 1.100 181 D HN 0.542 nan 8.370 nan 0.000 0.487 182 W N 2.275 123.594 121.300 0.031 0.000 2.595 182 W HA -0.016 4.636 4.660 -0.014 0.000 0.257 182 W C 0.049 176.618 176.519 0.083 0.000 1.267 182 W CA 0.081 57.475 57.345 0.082 0.000 1.300 182 W CB -0.678 28.834 29.460 0.087 0.000 1.120 182 W HN 0.208 nan 8.180 nan 0.000 0.618 183 L N 0.866 121.711 121.223 -0.631 0.000 2.607 183 L HA 0.169 4.500 4.340 -0.014 0.000 0.228 183 L C 2.736 179.443 176.870 -0.272 0.000 1.123 183 L CA -0.050 54.404 54.840 -0.644 0.000 0.890 183 L CB -0.600 40.966 42.059 -0.821 0.000 1.103 183 L HN -0.101 nan 8.230 nan 0.000 0.468 184 R N 0.755 121.160 120.500 -0.159 0.000 2.136 184 R HA -0.247 4.084 4.340 -0.014 0.000 0.242 184 R C 1.457 177.605 176.300 -0.253 0.000 1.131 184 R CA 2.272 58.257 56.100 -0.192 0.000 0.937 184 R CB -0.264 29.930 30.300 -0.176 0.000 0.863 184 R HN 0.287 nan 8.270 nan 0.000 0.435 185 Y N -0.454 119.862 120.300 0.026 0.000 2.461 185 Y HA 0.306 4.848 4.550 -0.014 0.000 0.277 185 Y C 0.816 176.710 175.900 -0.011 0.000 1.182 185 Y CA 0.448 58.569 58.100 0.035 0.000 1.276 185 Y CB 0.719 39.303 38.460 0.206 0.000 1.087 185 Y HN 0.472 nan 8.280 nan 0.000 0.519 186 G N 1.200 110.050 108.800 0.083 0.000 2.663 186 G HA2 -0.210 3.741 3.960 -0.014 0.000 0.686 186 G HA3 -0.210 3.741 3.960 -0.014 0.000 0.686 186 G C -1.324 173.657 174.900 0.135 0.000 1.246 186 G CA -0.899 44.220 45.100 0.031 0.000 0.795 186 G HN 0.237 nan 8.290 nan 0.000 0.627 187 N N 1.310 120.030 118.700 0.035 0.000 2.524 187 N HA 0.578 5.310 4.740 -0.014 0.000 0.261 187 N C -0.590 174.924 175.510 0.007 0.000 0.998 187 N CA -1.919 51.166 53.050 0.058 0.000 0.915 187 N CB 2.103 40.567 38.487 -0.039 0.000 1.187 187 N HN 0.265 nan 8.380 nan 0.000 0.507 188 P HA 0.017 nan 4.420 nan 0.000 0.229 188 P C 0.608 177.609 177.300 -0.499 0.000 1.160 188 P CA 0.691 63.490 63.100 -0.501 0.000 0.777 188 P CB 0.124 31.231 31.700 -0.988 0.000 0.814 189 W N 2.071 123.373 121.300 0.004 0.000 2.658 189 W HA 0.043 4.695 4.660 -0.014 0.000 0.263 189 W C 1.197 177.751 176.519 0.058 0.000 1.274 189 W CA -0.332 57.013 57.345 0.001 0.000 1.343 189 W CB -0.287 29.176 29.460 0.006 0.000 1.106 189 W HN 0.047 nan 8.180 nan 0.000 0.615 190 E N 1.483 121.854 120.200 0.284 0.000 2.283 190 E HA 0.382 4.724 4.350 -0.014 0.000 0.271 190 E C -0.666 176.098 176.600 0.274 0.000 1.031 190 E CA -0.904 55.676 56.400 0.301 0.000 0.868 190 E CB 1.388 31.285 29.700 0.328 0.000 1.094 190 E HN -0.314 nan 8.360 nan 0.000 0.401 191 K N 1.655 122.230 120.400 0.291 0.000 2.535 191 K HA 0.420 4.731 4.320 -0.014 0.000 0.253 191 K C -1.166 175.444 176.600 0.016 0.000 0.953 191 K CA -0.459 55.930 56.287 0.169 0.000 0.863 191 K CB 1.451 34.065 32.500 0.190 0.000 1.111 191 K HN 0.669 nan 8.250 nan 0.000 0.431 192 A N 4.069 126.804 122.820 -0.141 0.000 2.477 192 A HA 0.338 4.649 4.320 -0.014 0.000 0.246 192 A C -0.211 177.158 177.584 -0.357 0.000 1.078 192 A CA -0.125 51.566 52.037 -0.576 0.000 0.770 192 A CB 0.241 18.901 19.000 -0.567 0.000 1.011 192 A HN 0.689 nan 8.150 nan 0.000 0.494 193 R N 3.086 123.362 120.500 -0.374 0.000 2.886 193 R HA 0.190 4.521 4.340 -0.014 0.000 0.306 193 R C -2.269 173.877 176.300 -0.256 0.000 1.300 193 R CA -1.642 54.300 56.100 -0.264 0.000 1.441 193 R CB 0.552 30.810 30.300 -0.070 0.000 1.328 193 R HN 0.605 nan 8.270 nan 0.000 0.629 194 P HA -0.226 nan 4.420 nan 0.000 0.218 194 P C 0.881 178.092 177.300 -0.149 0.000 1.146 194 P CA 1.313 64.327 63.100 -0.143 0.000 0.820 194 P CB 0.341 31.967 31.700 -0.123 0.000 0.778 195 E N 0.037 120.040 120.200 -0.328 0.000 2.409 195 E HA -0.140 4.201 4.350 -0.014 0.000 0.198 195 E C 0.995 177.433 176.600 -0.269 0.000 1.024 195 E CA 0.752 56.921 56.400 -0.385 0.000 0.861 195 E CB -1.024 28.302 29.700 -0.622 0.000 0.788 195 E HN 0.411 nan 8.360 nan 0.000 0.521 196 F N 1.664 121.632 119.950 0.031 0.000 2.708 196 F HA 0.223 4.741 4.527 -0.014 0.000 0.300 196 F C 0.433 176.330 175.800 0.163 0.000 1.118 196 F CA -0.773 57.275 58.000 0.080 0.000 1.307 196 F CB 0.670 39.711 39.000 0.068 0.000 0.986 196 F HN -0.275 nan 8.300 nan 0.000 0.522 197 T N 2.821 117.531 114.554 0.260 0.000 2.928 197 T HA 0.223 4.565 4.350 -0.014 0.000 0.305 197 T C -0.228 174.583 174.700 0.185 0.000 1.035 197 T CA 0.338 62.584 62.100 0.244 0.000 1.145 197 T CB 0.795 69.754 68.868 0.151 0.000 0.963 197 T HN -0.098 nan 8.240 nan 0.000 0.545 198 L N 5.813 127.112 121.223 0.126 0.000 2.370 198 L HA 0.569 4.901 4.340 -0.014 0.000 0.266 198 L C -2.176 174.653 176.870 -0.069 0.000 1.002 198 L CA -2.369 52.466 54.840 -0.008 0.000 0.818 198 L CB 1.972 43.952 42.059 -0.131 0.000 1.325 198 L HN 0.390 nan 8.230 nan 0.000 0.418 199 P HA 0.384 nan 4.420 nan 0.000 0.288 199 P C -1.310 175.882 177.300 -0.180 0.000 1.267 199 P CA -0.421 62.608 63.100 -0.118 0.000 0.815 199 P CB 1.984 33.611 31.700 -0.122 0.000 0.989 200 V N 3.881 123.678 119.914 -0.195 0.000 2.604 200 V HA 0.325 4.436 4.120 -0.014 0.000 0.305 200 V C -0.241 175.683 176.094 -0.283 0.000 1.043 200 V CA -0.556 61.630 62.300 -0.190 0.000 0.888 200 V CB 1.366 33.129 31.823 -0.100 0.000 0.995 200 V HN 0.590 nan 8.190 nan 0.000 0.429 201 H N 3.537 122.465 119.070 -0.237 0.000 2.479 201 H HA 0.776 5.323 4.556 -0.014 0.000 0.335 201 H C -1.050 174.003 175.328 -0.457 0.000 1.142 201 H CA -0.353 55.473 56.048 -0.370 0.000 1.234 201 H CB 1.333 30.613 29.762 -0.804 0.000 1.503 201 H HN 0.503 nan 8.280 nan 0.000 0.510 202 F N 0.344 120.316 119.950 0.037 0.000 2.613 202 F HA 0.331 4.849 4.527 -0.014 0.000 0.314 202 F C -0.207 175.658 175.800 0.108 0.000 1.075 202 F CA -0.720 57.295 58.000 0.025 0.000 0.945 202 F CB 1.004 39.898 39.000 -0.177 0.000 1.310 202 F HN 0.601 nan 8.300 nan 0.000 0.467 203 Y N 0.214 120.803 120.300 0.483 0.000 2.896 203 Y HA -0.057 4.484 4.550 -0.014 0.000 0.466 203 Y C 1.393 177.547 175.900 0.424 0.000 1.196 203 Y CA 0.909 59.218 58.100 0.347 0.000 2.514 203 Y CB -1.796 36.794 38.460 0.217 0.000 1.231 203 Y HN 1.248 nan 8.280 nan 0.000 0.632 204 G N 0.655 109.737 108.800 0.469 0.000 2.642 204 G HA2 0.056 4.007 3.960 -0.014 0.000 0.231 204 G HA3 0.056 4.007 3.960 -0.014 0.000 0.231 204 G C -0.725 174.400 174.900 0.376 0.000 1.338 204 G CA 0.677 45.980 45.100 0.340 0.000 0.883 204 G HN 1.327 nan 8.290 nan 0.000 0.570 205 R N -2.560 118.158 120.500 0.363 0.000 2.752 205 R HA 0.715 5.047 4.340 -0.014 0.000 0.271 205 R C -1.444 175.012 176.300 0.260 0.000 1.026 205 R CA -0.961 55.295 56.100 0.261 0.000 0.901 205 R CB 1.339 31.738 30.300 0.165 0.000 1.243 205 R HN 0.910 nan 8.270 nan 0.000 0.463 206 V N 1.221 121.212 119.914 0.128 0.000 2.398 206 V HA 0.352 4.464 4.120 -0.014 0.000 0.286 206 V C -0.253 175.847 176.094 0.009 0.000 1.026 206 V CA -0.585 61.736 62.300 0.034 0.000 0.868 206 V CB 1.414 33.197 31.823 -0.066 0.000 0.982 206 V HN 0.667 nan 8.190 nan 0.000 0.443 207 E N 2.759 122.930 120.200 -0.048 0.000 2.183 207 E HA 0.485 4.827 4.350 -0.014 0.000 0.271 207 E C -1.361 175.148 176.600 -0.151 0.000 0.919 207 E CA -0.795 55.593 56.400 -0.020 0.000 0.781 207 E CB 1.901 31.609 29.700 0.015 0.000 1.140 207 E HN 0.701 nan 8.360 nan 0.000 0.402 208 H N 0.997 120.080 119.070 0.022 0.000 2.581 208 H HA 0.199 4.747 4.556 -0.014 0.000 0.308 208 H C 0.221 175.556 175.328 0.012 0.000 1.040 208 H CA -0.237 55.819 56.048 0.013 0.000 1.231 208 H CB 1.028 30.792 29.762 0.005 0.000 1.396 208 H HN 0.483 nan 8.280 nan 0.000 0.467 209 T N -1.114 113.487 114.554 0.078 0.000 2.876 209 T HA 0.190 4.532 4.350 -0.014 0.000 0.277 209 T C 1.494 176.228 174.700 0.056 0.000 0.997 209 T CA -0.200 61.933 62.100 0.055 0.000 0.966 209 T CB 0.956 69.840 68.868 0.027 0.000 1.312 209 T HN 0.466 nan 8.240 nan 0.000 0.598 210 S N -0.982 114.741 115.700 0.038 0.000 2.489 210 S HA -0.033 4.428 4.470 -0.014 0.000 0.228 210 S C 1.831 176.449 174.600 0.029 0.000 0.995 210 S CA 0.431 58.650 58.200 0.032 0.000 0.934 210 S CB -0.486 62.728 63.200 0.024 0.000 0.771 210 S HN 0.655 nan 8.310 nan 0.000 0.522 211 Q N 1.481 121.296 119.800 0.026 0.000 2.408 211 Q HA 0.451 4.782 4.340 -0.014 0.000 0.205 211 Q C 0.814 176.826 176.000 0.021 0.000 0.919 211 Q CA 0.665 56.480 55.803 0.020 0.000 0.932 211 Q CB 0.299 29.045 28.738 0.013 0.000 1.058 211 Q HN 0.743 nan 8.270 nan 0.000 0.517 212 G N -1.160 107.657 108.800 0.028 0.000 2.315 212 G HA2 0.283 4.235 3.960 -0.014 0.000 0.296 212 G HA3 0.283 4.235 3.960 -0.014 0.000 0.296 212 G C -1.418 173.474 174.900 -0.013 0.000 1.289 212 G CA -0.594 44.524 45.100 0.030 0.000 0.996 212 G HN 0.357 nan 8.290 nan 0.000 0.487 213 A N -0.277 122.503 122.820 -0.068 0.000 2.340 213 A HA 0.779 5.091 4.320 -0.014 0.000 0.268 213 A C 0.188 177.683 177.584 -0.149 0.000 1.100 213 A CA 0.221 52.107 52.037 -0.252 0.000 0.803 213 A CB 0.674 19.481 19.000 -0.322 0.000 1.043 213 A HN 0.721 nan 8.150 nan 0.000 0.488 214 K N 0.890 121.200 120.400 -0.149 0.000 2.507 214 K HA 0.216 4.527 4.320 -0.014 0.000 0.251 214 K C -1.790 174.841 176.600 0.052 0.000 0.943 214 K CA -0.335 55.930 56.287 -0.036 0.000 0.794 214 K CB 1.910 34.396 32.500 -0.023 0.000 1.188 214 K HN 0.726 nan 8.250 nan 0.000 0.428 215 W N 5.774 126.993 121.300 -0.135 0.000 2.342 215 W HA 0.359 5.010 4.660 -0.014 0.000 0.310 215 W C -0.675 175.794 176.519 -0.083 0.000 1.128 215 W CA -0.772 56.506 57.345 -0.111 0.000 1.322 215 W CB 0.197 29.577 29.460 -0.133 0.000 1.251 215 W HN 0.325 nan 8.180 nan 0.000 0.439 216 V N 2.638 122.635 119.914 0.138 0.000 3.155 216 V HA 0.583 4.694 4.120 -0.014 0.000 0.313 216 V C 0.015 176.104 176.094 -0.009 0.000 1.162 216 V CA -0.950 61.344 62.300 -0.009 0.000 1.048 216 V CB 1.839 33.678 31.823 0.027 0.000 1.092 216 V HN 0.470 nan 8.190 nan 0.000 0.447 217 D N 0.587 120.979 120.400 -0.012 0.000 2.701 217 D HA -0.147 4.485 4.640 -0.014 0.000 0.235 217 D C 0.552 176.866 176.300 0.023 0.000 1.155 217 D CA 1.465 55.477 54.000 0.019 0.000 0.649 217 D CB -1.355 39.477 40.800 0.052 0.000 1.050 217 D HN 1.250 nan 8.370 nan 0.000 0.425 218 T N -3.030 111.490 114.554 -0.056 0.000 2.918 218 T HA 0.393 4.735 4.350 -0.014 0.000 0.283 218 T C 0.245 174.981 174.700 0.059 0.000 1.001 218 T CA -0.820 61.252 62.100 -0.048 0.000 1.041 218 T CB 2.756 71.402 68.868 -0.369 0.000 1.028 218 T HN 0.164 nan 8.240 nan 0.000 0.511 219 Q N 0.988 120.888 119.800 0.166 0.000 2.243 219 Q HA 0.511 4.842 4.340 -0.014 0.000 0.252 219 Q C -1.367 174.701 176.000 0.113 0.000 0.909 219 Q CA -0.784 55.125 55.803 0.176 0.000 0.922 219 Q CB 1.113 30.045 28.738 0.325 0.000 1.215 219 Q HN 0.629 nan 8.270 nan 0.000 0.427 220 V N 4.396 124.322 119.914 0.021 0.000 2.435 220 V HA 0.431 4.542 4.120 -0.014 0.000 0.290 220 V C -0.461 175.655 176.094 0.036 0.000 1.030 220 V CA -0.615 61.632 62.300 -0.090 0.000 0.881 220 V CB 1.727 33.436 31.823 -0.190 0.000 0.983 220 V HN 0.604 nan 8.190 nan 0.000 0.445 221 V N 6.069 126.041 119.914 0.097 0.000 2.588 221 V HA 0.467 4.578 4.120 -0.014 0.000 0.304 221 V C -0.185 176.015 176.094 0.177 0.000 1.042 221 V CA -0.584 61.822 62.300 0.176 0.000 0.877 221 V CB 1.895 33.901 31.823 0.305 0.000 0.996 221 V HN 0.637 nan 8.190 nan 0.000 0.425 222 L N 3.695 125.018 121.223 0.165 0.000 2.350 222 L HA 0.730 5.061 4.340 -0.014 0.000 0.275 222 L C 0.499 177.556 176.870 0.311 0.000 1.099 222 L CA -0.290 54.650 54.840 0.166 0.000 0.808 222 L CB 1.310 43.446 42.059 0.127 0.000 1.149 222 L HN 0.754 nan 8.230 nan 0.000 0.442 223 A N 5.078 128.021 122.820 0.206 0.000 2.267 223 A HA 0.575 4.887 4.320 -0.014 0.000 0.315 223 A C -0.502 177.351 177.584 0.448 0.000 1.297 223 A CA -0.472 51.709 52.037 0.241 0.000 0.865 223 A CB 0.933 19.610 19.000 -0.539 0.000 1.165 223 A HN 0.778 nan 8.150 nan 0.000 0.513 224 M N 6.143 126.075 119.600 0.553 0.000 2.180 224 M HA 0.459 4.931 4.480 -0.014 0.000 0.350 224 M C -2.584 174.011 176.300 0.492 0.000 1.125 224 M CA -2.100 53.473 55.300 0.454 0.000 1.031 224 M CB 2.137 34.924 32.600 0.312 0.000 1.623 224 M HN 0.394 nan 8.290 nan 0.000 0.451 225 P HA 0.278 nan 4.420 nan 0.000 0.284 225 P C -1.964 175.292 177.300 -0.073 0.000 1.258 225 P CA -0.194 62.839 63.100 -0.111 0.000 0.824 225 P CB 0.863 32.243 31.700 -0.532 0.000 1.038 226 Y N 0.316 120.556 120.300 -0.101 0.000 2.338 226 Y HA 0.302 4.843 4.550 -0.014 0.000 0.333 226 Y C 0.068 175.962 175.900 -0.010 0.000 0.968 226 Y CA -0.308 57.791 58.100 -0.002 0.000 1.123 226 Y CB 1.406 39.897 38.460 0.051 0.000 1.165 226 Y HN 0.202 nan 8.280 nan 0.000 0.452 227 D N 2.048 122.555 120.400 0.179 0.000 2.168 227 D HA 0.423 5.055 4.640 -0.014 0.000 0.246 227 D C -0.548 175.981 176.300 0.382 0.000 1.050 227 D CA -0.223 53.926 54.000 0.249 0.000 0.857 227 D CB 1.813 42.793 40.800 0.299 0.000 1.169 227 D HN 0.354 nan 8.370 nan 0.000 0.453 228 T N 2.986 117.673 114.554 0.222 0.000 2.824 228 T HA 0.463 4.805 4.350 -0.014 0.000 0.282 228 T C -2.525 172.031 174.700 -0.240 0.000 0.993 228 T CA -1.442 60.688 62.100 0.050 0.000 0.967 228 T CB 2.114 71.003 68.868 0.034 0.000 0.960 228 T HN 0.181 nan 8.240 nan 0.000 0.441 229 P HA 0.324 nan 4.420 nan 0.000 0.275 229 P C -1.039 175.938 177.300 -0.537 0.000 1.227 229 P CA -0.406 62.041 63.100 -1.089 0.000 0.781 229 P CB 0.896 31.700 31.700 -1.493 0.000 0.906 230 V N 5.159 124.818 119.914 -0.424 0.000 2.305 230 V HA 0.267 4.378 4.120 -0.014 0.000 0.275 230 V C -2.018 173.946 176.094 -0.216 0.000 1.020 230 V CA -1.923 60.220 62.300 -0.260 0.000 0.811 230 V CB 1.391 33.109 31.823 -0.175 0.000 1.031 230 V HN 0.551 nan 8.190 nan 0.000 0.439 231 P HA 0.277 nan 4.420 nan 0.000 0.280 231 P C 0.335 177.588 177.300 -0.078 0.000 1.244 231 P CA 0.291 63.306 63.100 -0.141 0.000 0.784 231 P CB 1.831 33.444 31.700 -0.145 0.000 0.913 232 G N 2.391 111.163 108.800 -0.046 0.000 2.599 232 G HA2 0.129 4.081 3.960 -0.014 0.000 0.264 232 G HA3 0.129 4.081 3.960 -0.014 0.000 0.264 232 G C -1.142 173.776 174.900 0.030 0.000 1.200 232 G CA -0.441 44.661 45.100 0.004 0.000 0.896 232 G HN 0.480 nan 8.290 nan 0.000 0.536 233 Y N 1.175 121.441 120.300 -0.056 0.000 2.584 233 Y HA 0.217 4.758 4.550 -0.015 0.000 0.351 233 Y C 1.490 177.357 175.900 -0.055 0.000 1.030 233 Y CA -0.328 57.735 58.100 -0.063 0.000 1.332 233 Y CB -0.185 38.236 38.460 -0.064 0.000 1.148 233 Y HN 0.696 nan 8.280 nan 0.000 0.528 234 R N 3.081 123.277 120.500 -0.508 0.000 3.387 234 R HA -0.281 4.051 4.340 -0.014 0.000 0.254 234 R C -0.043 176.116 176.300 -0.234 0.000 1.006 234 R CA 0.994 56.827 56.100 -0.444 0.000 0.677 234 R CB -1.777 28.095 30.300 -0.714 0.000 1.063 234 R HN 0.795 nan 8.270 nan 0.000 0.453 235 N N -0.397 118.222 118.700 -0.136 0.000 2.160 235 N HA -0.004 4.728 4.740 -0.014 0.000 0.226 235 N C -0.150 175.318 175.510 -0.069 0.000 1.256 235 N CA -0.344 52.660 53.050 -0.077 0.000 0.890 235 N CB 0.240 38.708 38.487 -0.031 0.000 1.116 235 N HN 0.183 nan 8.380 nan 0.000 0.517 236 N N -0.430 118.224 118.700 -0.077 0.000 2.741 236 N HA -0.129 4.602 4.740 -0.014 0.000 0.251 236 N C -1.144 174.332 175.510 -0.057 0.000 1.112 236 N CA 0.564 53.577 53.050 -0.063 0.000 0.750 236 N CB -1.617 36.832 38.487 -0.062 0.000 1.119 236 N HN 0.211 nan 8.380 nan 0.000 0.561 237 V N 1.044 120.929 119.914 -0.048 0.000 2.427 237 V HA 0.480 4.592 4.120 -0.014 0.000 0.286 237 V C 0.494 176.564 176.094 -0.040 0.000 1.034 237 V CA -0.560 61.719 62.300 -0.034 0.000 0.893 237 V CB 2.238 34.067 31.823 0.010 0.000 0.982 237 V HN -0.038 nan 8.190 nan 0.000 0.452 238 V N 5.498 125.391 119.914 -0.036 0.000 2.419 238 V HA 0.364 4.476 4.120 -0.014 0.000 0.287 238 V C 0.063 176.147 176.094 -0.016 0.000 1.017 238 V CA -0.763 61.489 62.300 -0.080 0.000 0.844 238 V CB 1.213 32.968 31.823 -0.113 0.000 1.011 238 V HN 0.919 nan 8.190 nan 0.000 0.429 239 N N 1.953 120.619 118.700 -0.058 0.000 2.418 239 N HA 0.603 5.334 4.740 -0.014 0.000 0.283 239 N C -0.380 175.120 175.510 -0.016 0.000 1.267 239 N CA -0.577 52.459 53.050 -0.023 0.000 0.975 239 N CB 0.986 39.424 38.487 -0.082 0.000 1.167 239 N HN 0.570 nan 8.380 nan 0.000 0.581 240 T N 0.900 115.448 114.554 -0.011 0.000 2.863 240 T HA 0.370 4.711 4.350 -0.014 0.000 0.285 240 T C -0.751 173.926 174.700 -0.038 0.000 1.009 240 T CA -0.502 61.664 62.100 0.111 0.000 0.989 240 T CB 1.160 70.214 68.868 0.310 0.000 1.004 240 T HN 0.338 nan 8.240 nan 0.000 0.455 241 M N 3.583 123.132 119.600 -0.085 0.000 2.078 241 M HA 0.519 4.990 4.480 -0.014 0.000 0.320 241 M C -0.629 175.531 176.300 -0.234 0.000 0.969 241 M CA -0.755 54.400 55.300 -0.241 0.000 0.929 241 M CB 0.883 33.290 32.600 -0.322 0.000 1.504 241 M HN 0.501 nan 8.290 nan 0.000 0.419 242 R N 4.754 125.002 120.500 -0.420 0.000 2.229 242 R HA 0.560 4.892 4.340 -0.014 0.000 0.332 242 R C -1.976 174.044 176.300 -0.467 0.000 0.989 242 R CA -0.570 55.238 56.100 -0.487 0.000 0.842 242 R CB 0.899 30.734 30.300 -0.776 0.000 1.119 242 R HN 0.655 nan 8.270 nan 0.000 0.456 243 L N 5.587 126.643 121.223 -0.278 0.000 2.313 243 L HA 0.469 4.800 4.340 -0.014 0.000 0.283 243 L C -1.009 175.822 176.870 -0.064 0.000 1.013 243 L CA -0.512 54.264 54.840 -0.107 0.000 0.816 243 L CB 1.156 43.240 42.059 0.042 0.000 1.236 243 L HN 0.626 nan 8.230 nan 0.000 0.419 244 W N 2.261 123.687 121.300 0.210 0.000 2.316 244 W HA 0.602 5.254 4.660 -0.014 0.000 0.321 244 W C 0.540 177.281 176.519 0.370 0.000 1.203 244 W CA -0.281 57.209 57.345 0.242 0.000 1.214 244 W CB 1.416 30.887 29.460 0.017 0.000 1.169 244 W HN 0.433 nan 8.180 nan 0.000 0.561 245 S N 1.717 117.834 115.700 0.695 0.000 2.500 245 S HA 0.765 5.227 4.470 -0.014 0.000 0.301 245 S C -0.486 174.472 174.600 0.598 0.000 1.092 245 S CA -0.723 57.788 58.200 0.518 0.000 1.030 245 S CB 0.642 64.079 63.200 0.396 0.000 1.031 245 S HN 0.536 nan 8.310 nan 0.000 0.483 246 A N 3.530 126.552 122.820 0.336 0.000 2.366 246 A HA 0.697 5.009 4.320 -0.014 0.000 0.272 246 A C -0.175 177.508 177.584 0.166 0.000 1.135 246 A CA -0.287 51.848 52.037 0.163 0.000 0.804 246 A CB 0.314 19.128 19.000 -0.310 0.000 1.064 246 A HN 0.650 nan 8.150 nan 0.000 0.499 247 K N 1.551 122.064 120.400 0.190 0.000 2.498 247 K HA 0.679 4.990 4.320 -0.014 0.000 0.254 247 K C -0.577 176.086 176.600 0.106 0.000 0.933 247 K CA 0.082 56.453 56.287 0.139 0.000 0.806 247 K CB 1.842 34.439 32.500 0.162 0.000 1.301 247 K HN 0.945 nan 8.250 nan 0.000 0.432 248 A N 4.178 127.041 122.820 0.070 0.000 2.340 248 A HA 0.611 4.922 4.320 -0.014 0.000 0.268 248 A C -2.329 175.285 177.584 0.049 0.000 1.100 248 A CA -1.365 50.703 52.037 0.052 0.000 0.803 248 A CB -0.136 18.883 19.000 0.031 0.000 1.043 248 A HN 0.628 nan 8.150 nan 0.000 0.488 249 P HA 0.156 nan 4.420 nan 0.000 0.272 249 P C 0.304 177.622 177.300 0.030 0.000 1.223 249 P CA -0.444 62.676 63.100 0.033 0.000 0.784 249 P CB 0.553 32.266 31.700 0.023 0.000 0.923 250 N N 0.609 119.327 118.700 0.031 0.000 2.459 250 N HA -0.062 4.670 4.740 -0.014 0.000 0.181 250 N C 0.493 176.024 175.510 0.034 0.000 1.046 250 N CA 0.972 54.041 53.050 0.032 0.000 0.904 250 N CB -0.289 38.218 38.487 0.034 0.000 0.964 250 N HN 0.615 nan 8.380 nan 0.000 0.444 261 G N -1.241 107.576 108.800 0.027 0.000 2.484 261 G HA2 0.255 4.206 3.960 -0.014 0.000 0.685 261 G HA3 0.255 4.206 3.960 -0.014 0.000 0.685 261 G C 0.080 175.022 174.900 0.069 0.000 1.294 261 G CA 0.187 45.321 45.100 0.055 0.000 0.879 261 G HN 1.329 nan 8.290 nan 0.000 0.646 262 Y N 1.348 121.649 120.300 0.002 0.000 2.128 262 Y HA -0.131 4.411 4.550 -0.014 0.000 0.284 262 Y C 2.678 178.580 175.900 0.004 0.000 1.154 262 Y CA 2.523 60.624 58.100 0.003 0.000 1.149 262 Y CB -0.078 38.384 38.460 0.003 0.000 0.976 262 Y HN 0.474 nan 8.280 nan 0.000 0.505 263 I N 0.499 120.984 120.570 -0.142 0.000 2.127 263 I HA -0.320 3.842 4.170 -0.014 0.000 0.241 263 I C 2.444 178.443 176.117 -0.196 0.000 1.075 263 I CA 1.577 62.744 61.300 -0.221 0.000 1.334 263 I CB -1.476 36.508 38.000 -0.027 0.000 1.040 263 I HN 0.361 nan 8.210 nan 0.000 0.405 264 Q N 0.510 120.249 119.800 -0.102 0.000 2.135 264 Q HA -0.161 4.171 4.340 -0.014 0.000 0.204 264 Q C 2.344 178.287 176.000 -0.096 0.000 0.981 264 Q CA 1.969 57.726 55.803 -0.077 0.000 0.856 264 Q CB -0.337 28.378 28.738 -0.039 0.000 0.902 264 Q HN 0.566 nan 8.270 nan 0.000 0.425 265 A N -0.193 122.557 122.820 -0.117 0.000 1.933 265 A HA -0.128 4.184 4.320 -0.014 0.000 0.218 265 A C 2.381 179.882 177.584 -0.138 0.000 1.175 265 A CA 1.579 53.554 52.037 -0.104 0.000 0.628 265 A CB -0.557 18.394 19.000 -0.082 0.000 0.814 265 A HN 0.232 nan 8.150 nan 0.000 0.444 266 V N 0.078 119.846 119.914 -0.244 0.000 2.358 266 V HA -0.205 3.907 4.120 -0.014 0.000 0.246 266 V C 2.473 178.492 176.094 -0.126 0.000 1.047 266 V CA 1.743 63.911 62.300 -0.219 0.000 1.035 266 V CB -0.687 30.926 31.823 -0.350 0.000 0.658 266 V HN 0.564 nan 8.190 nan 0.000 0.452 267 L N -0.280 120.873 121.223 -0.117 0.000 2.217 267 L HA -0.099 4.232 4.340 -0.014 0.000 0.211 267 L C 1.848 178.690 176.870 -0.047 0.000 1.107 267 L CA 1.066 55.865 54.840 -0.068 0.000 0.783 267 L CB -0.579 41.445 42.059 -0.059 0.000 0.919 267 L HN 0.337 nan 8.230 nan 0.000 0.442 268 D N 0.065 120.434 120.400 -0.050 0.000 2.363 268 D HA -0.047 4.584 4.640 -0.014 0.000 0.226 268 D C 2.023 178.308 176.300 -0.025 0.000 1.020 268 D CA 0.361 54.341 54.000 -0.034 0.000 0.892 268 D CB 0.076 40.856 40.800 -0.033 0.000 0.900 268 D HN 0.268 nan 8.370 nan 0.000 0.531 269 R N 0.503 120.987 120.500 -0.027 0.000 2.189 269 R HA -0.033 4.298 4.340 -0.014 0.000 0.223 269 R C 1.605 177.903 176.300 -0.004 0.000 1.092 269 R CA 0.521 56.613 56.100 -0.013 0.000 0.989 269 R CB -0.001 30.292 30.300 -0.012 0.000 0.876 269 R HN 0.105 nan 8.270 nan 0.000 0.457 270 N N 0.682 119.379 118.700 -0.005 0.000 2.205 270 N HA -0.146 4.586 4.740 -0.014 0.000 0.186 270 N C 1.515 177.025 175.510 -0.000 0.000 1.015 270 N CA 1.033 54.086 53.050 0.004 0.000 0.862 270 N CB -0.123 38.367 38.487 0.006 0.000 0.986 270 N HN 0.084 nan 8.380 nan 0.000 0.429 271 L N 1.081 122.299 121.223 -0.008 0.000 2.012 271 L HA -0.105 4.227 4.340 -0.014 0.000 0.210 271 L C 2.369 179.222 176.870 -0.028 0.000 1.073 271 L CA 1.497 56.329 54.840 -0.014 0.000 0.748 271 L CB -1.173 40.877 42.059 -0.014 0.000 0.891 271 L HN 0.123 nan 8.230 nan 0.000 0.431 272 A N -0.926 121.879 122.820 -0.026 0.000 1.968 272 A HA -0.136 4.176 4.320 -0.014 0.000 0.217 272 A C 2.094 179.640 177.584 -0.063 0.000 1.169 272 A CA 1.162 53.172 52.037 -0.044 0.000 0.638 272 A CB -0.413 18.584 19.000 -0.006 0.000 0.812 272 A HN 0.533 nan 8.150 nan 0.000 0.446 273 E N -0.059 120.126 120.200 -0.025 0.000 2.482 273 E HA -0.048 4.293 4.350 -0.014 0.000 0.196 273 E C 1.083 177.676 176.600 -0.012 0.000 1.047 273 E CA 0.320 56.712 56.400 -0.014 0.000 0.869 273 E CB -0.270 29.446 29.700 0.027 0.000 0.836 273 E HN 0.709 nan 8.360 nan 0.000 0.520 274 N N 0.845 119.536 118.700 -0.014 0.000 2.453 274 N HA -0.055 4.677 4.740 -0.014 0.000 0.183 274 N C 1.680 177.194 175.510 0.006 0.000 1.041 274 N CA 0.205 53.265 53.050 0.016 0.000 0.900 274 N CB 0.026 38.520 38.487 0.012 0.000 0.961 274 N HN 0.138 nan 8.380 nan 0.000 0.443 275 I N 0.445 120.960 120.570 -0.090 0.000 2.194 275 I HA -0.251 3.911 4.170 -0.014 0.000 0.246 275 I C 1.636 177.718 176.117 -0.058 0.000 1.093 275 I CA 1.170 62.379 61.300 -0.150 0.000 1.355 275 I CB -0.182 37.553 38.000 -0.441 0.000 1.046 275 I HN 0.183 nan 8.210 nan 0.000 0.413 276 S N -0.522 115.144 115.700 -0.056 0.000 2.574 276 S HA 0.202 4.663 4.470 -0.014 0.000 0.242 276 S C 1.410 176.144 174.600 0.223 0.000 0.982 276 S CA -0.568 57.681 58.200 0.083 0.000 0.977 276 S CB 0.301 63.541 63.200 0.066 0.000 0.814 276 S HN 0.200 nan 8.310 nan 0.000 0.464 277 R N 1.205 121.843 120.500 0.229 0.000 2.073 277 R HA 0.296 4.627 4.340 -0.014 0.000 0.229 277 R C 0.406 176.964 176.300 0.429 0.000 1.120 277 R CA 1.108 57.388 56.100 0.301 0.000 0.967 277 R CB -0.198 30.236 30.300 0.223 0.000 0.862 277 R HN 0.407 nan 8.270 nan 0.000 0.436 278 V N 0.144 120.269 119.914 0.352 0.000 3.012 278 V HA 0.360 4.471 4.120 -0.014 0.000 0.307 278 V C -1.639 174.453 176.094 -0.003 0.000 1.166 278 V CA -1.383 61.057 62.300 0.232 0.000 0.974 278 V CB 1.804 33.679 31.823 0.087 0.000 1.040 278 V HN 0.140 nan 8.190 nan 0.000 0.428 279 L N 6.220 127.215 121.223 -0.379 0.000 2.367 279 L HA 0.485 4.816 4.340 -0.014 0.000 0.275 279 L C -0.886 175.829 176.870 -0.257 0.000 1.129 279 L CA 0.427 54.829 54.840 -0.730 0.000 0.839 279 L CB 0.567 42.088 42.059 -0.896 0.000 1.133 279 L HN 0.684 nan 8.230 nan 0.000 0.453 280 Y N 6.826 127.049 120.300 -0.129 0.000 2.496 280 Y HA 0.204 4.745 4.550 -0.014 0.000 0.334 280 Y C -1.366 174.530 175.900 -0.007 0.000 1.080 280 Y CA -1.259 56.836 58.100 -0.009 0.000 1.355 280 Y CB 0.419 38.900 38.460 0.036 0.000 1.193 280 Y HN 0.569 nan 8.280 nan 0.000 0.523 281 P HA -0.011 nan 4.420 nan 0.000 0.253 281 P C -0.891 176.536 177.300 0.213 0.000 1.508 281 P CA 0.214 63.414 63.100 0.167 0.000 0.883 281 P CB 0.076 31.962 31.700 0.308 0.000 1.519 282 N N 1.394 120.233 118.700 0.231 0.000 2.422 282 N HA 0.152 4.883 4.740 -0.014 0.000 0.266 282 N C -0.681 174.986 175.510 0.261 0.000 1.007 282 N CA -0.002 53.209 53.050 0.268 0.000 0.941 282 N CB 1.197 39.891 38.487 0.345 0.000 1.115 282 N HN 0.066 nan 8.380 nan 0.000 0.492 283 D N 1.418 121.994 120.400 0.294 0.000 2.329 283 D HA 0.184 4.815 4.640 -0.014 0.000 0.232 283 D C -0.254 176.322 176.300 0.460 0.000 1.088 283 D CA -0.263 53.930 54.000 0.323 0.000 0.835 283 D CB 0.203 41.195 40.800 0.320 0.000 1.078 283 D HN 0.290 nan 8.370 nan 0.000 0.495 284 N N 3.139 122.051 118.700 0.354 0.000 2.725 284 N HA -0.258 4.473 4.740 -0.014 0.000 0.251 284 N C -1.344 174.425 175.510 0.431 0.000 1.031 284 N CA 0.728 53.970 53.050 0.320 0.000 0.720 284 N CB -0.972 37.647 38.487 0.221 0.000 0.930 284 N HN 0.390 nan 8.380 nan 0.000 0.543 285 F N 0.602 120.676 119.950 0.206 0.000 2.623 285 F HA 0.419 4.937 4.527 -0.014 0.000 0.323 285 F C -1.194 174.696 175.800 0.150 0.000 1.158 285 F CA -1.131 56.958 58.000 0.150 0.000 1.030 285 F CB 0.879 39.928 39.000 0.082 0.000 1.280 285 F HN -0.004 nan 8.300 nan 0.000 0.474 286 F N 5.880 125.398 119.950 -0.721 0.000 2.404 286 F HA 0.485 5.004 4.527 -0.014 0.000 0.345 286 F C -0.446 174.934 175.800 -0.701 0.000 1.110 286 F CA -0.109 57.542 58.000 -0.581 0.000 1.130 286 F CB 0.769 39.468 39.000 -0.501 0.000 1.129 286 F HN 0.610 nan 8.300 nan 0.000 0.500 287 E N 4.235 123.772 120.200 -1.104 0.000 2.255 287 E HA 0.298 4.639 4.350 -0.014 0.000 0.256 287 E C -0.281 175.584 176.600 -1.226 0.000 0.887 287 E CA -0.745 55.120 56.400 -0.893 0.000 0.782 287 E CB 1.340 30.899 29.700 -0.235 0.000 1.214 287 E HN 0.900 nan 8.360 nan 0.000 0.417 288 G N 5.218 113.233 108.800 -1.309 0.000 3.284 288 G HA2 0.017 3.968 3.960 -0.014 0.000 0.251 288 G HA3 0.017 3.968 3.960 -0.014 0.000 0.251 288 G C -0.006 174.845 174.900 -0.082 0.000 0.913 288 G CA -0.182 44.404 45.100 -0.857 0.000 1.947 288 G HN 0.194 nan 8.290 nan 0.000 0.635 289 K N 0.369 120.760 120.400 -0.016 0.000 2.118 289 K HA 0.163 4.474 4.320 -0.014 0.000 0.267 289 K C 1.019 177.752 176.600 0.222 0.000 0.991 289 K CA -0.614 55.745 56.287 0.120 0.000 0.916 289 K CB 2.081 34.649 32.500 0.113 0.000 1.041 289 K HN 0.433 nan 8.250 nan 0.000 0.455 290 E N 1.657 121.959 120.200 0.171 0.000 2.110 290 E HA -0.203 4.139 4.350 -0.014 0.000 0.193 290 E C 1.502 178.136 176.600 0.057 0.000 0.988 290 E CA 0.895 57.353 56.400 0.098 0.000 0.804 290 E CB 0.149 29.909 29.700 0.099 0.000 0.745 290 E HN 0.400 nan 8.360 nan 0.000 0.458 291 L N 1.339 122.635 121.223 0.123 0.000 2.083 291 L HA -0.151 4.180 4.340 -0.014 0.000 0.209 291 L C 2.415 179.384 176.870 0.166 0.000 1.083 291 L CA 1.763 56.693 54.840 0.150 0.000 0.752 291 L CB -0.518 41.698 42.059 0.262 0.000 0.899 291 L HN 0.019 nan 8.230 nan 0.000 0.433 292 R N -0.636 119.909 120.500 0.075 0.000 2.092 292 R HA -0.137 4.195 4.340 -0.014 0.000 0.231 292 R C 2.086 178.427 176.300 0.068 0.000 1.119 292 R CA 1.750 57.822 56.100 -0.047 0.000 0.970 292 R CB -0.976 29.094 30.300 -0.383 0.000 0.864 292 R HN 0.405 nan 8.270 nan 0.000 0.440 293 L N 0.891 122.067 121.223 -0.077 0.000 2.083 293 L HA -0.054 4.277 4.340 -0.014 0.000 0.209 293 L C 1.662 178.488 176.870 -0.074 0.000 1.083 293 L CA 1.880 56.483 54.840 -0.395 0.000 0.752 293 L CB -0.392 41.162 42.059 -0.841 0.000 0.899 293 L HN 0.153 nan 8.230 nan 0.000 0.433 294 K N -0.997 119.411 120.400 0.015 0.000 2.057 294 K HA -0.185 4.126 4.320 -0.014 0.000 0.207 294 K C 2.061 178.835 176.600 0.290 0.000 1.049 294 K CA 1.705 58.085 56.287 0.154 0.000 0.931 294 K CB -0.173 32.234 32.500 -0.155 0.000 0.714 294 K HN 0.513 nan 8.250 nan 0.000 0.440 295 Q N 0.684 120.613 119.800 0.215 0.000 2.084 295 Q HA -0.190 4.142 4.340 -0.014 0.000 0.202 295 Q C 1.963 178.160 176.000 0.329 0.000 0.978 295 Q CA 1.426 57.406 55.803 0.295 0.000 0.844 295 Q CB -0.047 28.886 28.738 0.325 0.000 0.898 295 Q HN 0.389 nan 8.270 nan 0.000 0.426 296 E N -0.116 120.233 120.200 0.248 0.000 2.077 296 E HA -0.214 4.128 4.350 -0.014 0.000 0.193 296 E C 1.752 178.468 176.600 0.194 0.000 0.989 296 E CA 1.082 57.610 56.400 0.214 0.000 0.800 296 E CB -0.140 29.661 29.700 0.169 0.000 0.746 296 E HN 0.324 nan 8.360 nan 0.000 0.452 297 Y N 0.300 120.645 120.300 0.074 0.000 2.263 297 Y HA -0.188 4.354 4.550 -0.014 0.000 0.292 297 Y C 1.938 177.866 175.900 0.045 0.000 1.130 297 Y CA 0.918 59.008 58.100 -0.016 0.000 1.179 297 Y CB -0.330 38.066 38.460 -0.105 0.000 0.998 297 Y HN 0.013 nan 8.280 nan 0.000 0.532 298 F N -0.354 119.581 119.950 -0.026 0.000 2.095 298 F HA -0.228 4.290 4.527 -0.014 0.000 0.298 298 F C 2.458 178.114 175.800 -0.240 0.000 1.104 298 F CA 1.980 59.924 58.000 -0.095 0.000 1.232 298 F CB -1.013 38.084 39.000 0.161 0.000 0.987 298 F HN -0.061 nan 8.300 nan 0.000 0.475 299 V N -0.554 119.330 119.914 -0.050 0.000 2.427 299 V HA -0.176 3.936 4.120 -0.014 0.000 0.248 299 V C 2.161 178.122 176.094 -0.221 0.000 1.051 299 V CA 1.846 64.081 62.300 -0.109 0.000 1.048 299 V CB -0.327 31.631 31.823 0.224 0.000 0.666 299 V HN 0.247 nan 8.190 nan 0.000 0.456 300 V N 0.504 120.293 119.914 -0.209 0.000 2.307 300 V HA -0.165 3.947 4.120 -0.014 0.000 0.245 300 V C 2.825 178.678 176.094 -0.402 0.000 1.045 300 V CA 2.127 64.290 62.300 -0.230 0.000 1.024 300 V CB -1.064 30.678 31.823 -0.134 0.000 0.651 300 V HN 0.637 nan 8.190 nan 0.000 0.449 301 A N -0.192 122.221 122.820 -0.678 0.000 1.902 301 A HA -0.093 4.219 4.320 -0.014 0.000 0.217 301 A C 2.389 179.619 177.584 -0.590 0.000 1.181 301 A CA 2.081 53.710 52.037 -0.680 0.000 0.623 301 A CB -0.759 17.605 19.000 -1.060 0.000 0.818 301 A HN 0.561 nan 8.150 nan 0.000 0.443 302 A N -1.081 121.237 122.820 -0.836 0.000 1.898 302 A HA -0.049 4.263 4.320 -0.014 0.000 0.216 302 A C 2.305 179.453 177.584 -0.728 0.000 1.181 302 A CA 2.209 53.585 52.037 -1.102 0.000 0.620 302 A CB -1.249 16.427 19.000 -2.207 0.000 0.819 302 A HN 0.416 nan 8.150 nan 0.000 0.442 303 T N 0.631 114.891 114.554 -0.491 0.000 2.746 303 T HA -0.092 4.250 4.350 -0.014 0.000 0.267 303 T C 1.797 176.253 174.700 -0.407 0.000 1.039 303 T CA 1.458 63.376 62.100 -0.304 0.000 1.142 303 T CB -0.379 68.304 68.868 -0.308 0.000 0.866 303 T HN 0.350 nan 8.240 nan 0.000 0.444 304 L N 0.704 121.727 121.223 -0.333 0.000 2.093 304 L HA -0.126 4.205 4.340 -0.014 0.000 0.208 304 L C 2.851 179.608 176.870 -0.188 0.000 1.085 304 L CA 1.327 56.014 54.840 -0.256 0.000 0.755 304 L CB -0.583 41.363 42.059 -0.189 0.000 0.904 304 L HN 0.363 nan 8.230 nan 0.000 0.435 305 Q N -0.460 119.230 119.800 -0.183 0.000 2.119 305 Q HA -0.227 4.105 4.340 -0.014 0.000 0.201 305 Q C 1.688 177.653 176.000 -0.060 0.000 0.972 305 Q CA 1.549 57.290 55.803 -0.103 0.000 0.847 305 Q CB -0.080 28.588 28.738 -0.116 0.000 0.903 305 Q HN 0.386 nan 8.270 nan 0.000 0.433 306 D N 0.623 120.981 120.400 -0.070 0.000 2.117 306 D HA -0.086 4.545 4.640 -0.014 0.000 0.198 306 D C 1.646 177.887 176.300 -0.098 0.000 0.982 306 D CA 0.845 54.845 54.000 -0.001 0.000 0.828 306 D CB 0.042 40.948 40.800 0.178 0.000 0.967 306 D HN 0.152 nan 8.370 nan 0.000 0.464 307 I N 0.135 120.547 120.570 -0.264 0.000 2.202 307 I HA -0.217 3.945 4.170 -0.014 0.000 0.242 307 I C 2.251 178.368 176.117 0.001 0.000 1.091 307 I CA 0.724 61.808 61.300 -0.360 0.000 1.368 307 I CB -0.144 37.477 38.000 -0.632 0.000 1.058 307 I HN 0.056 nan 8.210 nan 0.000 0.410 308 I N 0.289 120.912 120.570 0.090 0.000 2.252 308 I HA -0.287 3.874 4.170 -0.014 0.000 0.245 308 I C 2.793 179.064 176.117 0.256 0.000 1.102 308 I CA 1.152 62.621 61.300 0.282 0.000 1.385 308 I CB -0.450 37.665 38.000 0.193 0.000 1.064 308 I HN 0.212 nan 8.210 nan 0.000 0.414 309 R N 1.385 121.957 120.500 0.120 0.000 2.080 309 R HA -0.233 4.098 4.340 -0.014 0.000 0.236 309 R C 2.519 178.862 176.300 0.071 0.000 1.137 309 R CA 1.880 58.026 56.100 0.078 0.000 0.943 309 R CB -0.295 30.021 30.300 0.028 0.000 0.846 309 R HN 0.202 nan 8.270 nan 0.000 0.431 310 R N -0.554 119.984 120.500 0.064 0.000 2.120 310 R HA -0.172 4.159 4.340 -0.014 0.000 0.234 310 R C 2.116 178.491 176.300 0.125 0.000 1.123 310 R CA 1.620 57.759 56.100 0.065 0.000 0.975 310 R CB -0.365 29.965 30.300 0.049 0.000 0.866 310 R HN 0.311 nan 8.270 nan 0.000 0.446 311 F N 1.395 121.368 119.950 0.038 0.000 2.128 311 F HA -0.039 4.479 4.527 -0.014 0.000 0.295 311 F C 1.504 177.308 175.800 0.006 0.000 1.100 311 F CA 1.427 59.450 58.000 0.038 0.000 1.260 311 F CB -0.011 39.071 39.000 0.136 0.000 1.009 311 F HN -0.148 nan 8.300 nan 0.000 0.476 312 K N -0.242 120.099 120.400 -0.097 0.000 2.515 312 K HA -0.005 4.307 4.320 -0.014 0.000 0.196 312 K C 1.086 177.578 176.600 -0.179 0.000 1.038 312 K CA 0.915 57.063 56.287 -0.230 0.000 0.967 312 K CB -0.211 32.271 32.500 -0.029 0.000 0.780 312 K HN 0.130 nan 8.250 nan 0.000 0.483 313 S N 0.658 116.296 115.700 -0.104 0.000 2.573 313 S HA 0.151 4.612 4.470 -0.014 0.000 0.244 313 S C -0.104 174.496 174.600 0.001 0.000 0.984 313 S CA -0.378 57.807 58.200 -0.025 0.000 1.001 313 S CB 0.504 63.719 63.200 0.025 0.000 0.788 313 S HN 0.085 nan 8.310 nan 0.000 0.456 325 N N 0.916 119.628 118.700 0.020 0.000 2.426 325 N HA 0.457 5.189 4.740 -0.014 0.000 0.275 325 N C 0.287 175.873 175.510 0.126 0.000 1.019 325 N CA -0.909 52.218 53.050 0.128 0.000 0.941 325 N CB 0.548 39.111 38.487 0.127 0.000 1.123 325 N HN 0.231 nan 8.380 nan 0.000 0.486 326 F N 0.535 120.577 119.950 0.152 0.000 2.795 326 F HA 0.064 4.583 4.527 -0.014 0.000 0.303 326 F C 1.412 177.278 175.800 0.111 0.000 1.186 326 F CA -0.041 58.037 58.000 0.129 0.000 1.415 326 F CB -0.129 38.794 39.000 -0.127 0.000 1.106 326 F HN 0.447 nan 8.300 nan 0.000 0.558 327 D N 0.423 120.963 120.400 0.234 0.000 2.218 327 D HA -0.117 4.515 4.640 -0.014 0.000 0.204 327 D C 2.173 178.562 176.300 0.150 0.000 0.976 327 D CA 1.190 55.284 54.000 0.156 0.000 0.853 327 D CB -0.000 40.868 40.800 0.113 0.000 0.939 327 D HN 0.255 nan 8.370 nan 0.000 0.481 328 A N -0.811 122.125 122.820 0.193 0.000 2.275 328 A HA 0.107 4.419 4.320 -0.014 0.000 0.212 328 A C 1.482 179.181 177.584 0.192 0.000 1.201 328 A CA -0.323 51.822 52.037 0.181 0.000 0.843 328 A CB -0.594 18.518 19.000 0.188 0.000 0.873 328 A HN 0.175 nan 8.150 nan 0.000 0.492 329 F N 2.425 122.341 119.950 -0.057 0.000 2.065 329 F HA -0.136 4.382 4.527 -0.014 0.000 0.298 329 F C -0.475 175.211 175.800 -0.190 0.000 1.112 329 F CA 2.463 60.219 58.000 -0.407 0.000 1.212 329 F CB -0.526 38.241 39.000 -0.389 0.000 0.975 329 F HN 0.220 nan 8.300 nan 0.000 0.476 330 P HA -0.097 nan 4.420 nan 0.000 0.234 330 P C 0.447 177.698 177.300 -0.083 0.000 1.167 330 P CA 1.357 64.413 63.100 -0.073 0.000 0.763 330 P CB -0.115 31.583 31.700 -0.004 0.000 0.835 331 D N -0.245 120.127 120.400 -0.046 0.000 2.333 331 D HA -0.003 4.628 4.640 -0.014 0.000 0.208 331 D C 1.571 177.853 176.300 -0.031 0.000 0.984 331 D CA 0.742 54.731 54.000 -0.019 0.000 0.873 331 D CB 0.267 41.078 40.800 0.019 0.000 0.935 331 D HN 0.156 nan 8.370 nan 0.000 0.521 332 K N 0.106 120.464 120.400 -0.070 0.000 2.373 332 K HA 0.215 4.526 4.320 -0.014 0.000 0.200 332 K C -0.007 176.500 176.600 -0.155 0.000 1.054 332 K CA 0.073 56.329 56.287 -0.051 0.000 1.065 332 K CB 2.352 34.925 32.500 0.123 0.000 0.886 332 K HN -0.059 nan 8.250 nan 0.000 0.546 333 V N 0.685 120.414 119.914 -0.308 0.000 2.841 333 V HA 0.671 4.783 4.120 -0.014 0.000 0.310 333 V C -1.192 174.800 176.094 -0.170 0.000 1.090 333 V CA -1.292 60.829 62.300 -0.299 0.000 0.930 333 V CB 1.981 33.355 31.823 -0.748 0.000 1.014 333 V HN 0.100 nan 8.190 nan 0.000 0.425 334 A N 5.016 127.797 122.820 -0.065 0.000 2.374 334 A HA 0.918 5.230 4.320 -0.014 0.000 0.305 334 A C -1.130 176.472 177.584 0.031 0.000 1.053 334 A CA -0.422 51.604 52.037 -0.018 0.000 0.726 334 A CB 1.132 20.058 19.000 -0.123 0.000 1.229 334 A HN 0.750 nan 8.150 nan 0.000 0.431 335 I N 1.944 122.578 120.570 0.106 0.000 2.410 335 I HA 0.313 4.474 4.170 -0.014 0.000 0.286 335 I C -0.386 175.821 176.117 0.151 0.000 1.009 335 I CA -0.590 60.786 61.300 0.126 0.000 1.111 335 I CB 1.971 40.029 38.000 0.097 0.000 1.262 335 I HN 0.712 nan 8.210 nan 0.000 0.443 336 Q N 6.864 126.751 119.800 0.144 0.000 2.314 336 Q HA 0.515 4.847 4.340 -0.014 0.000 0.259 336 Q C -1.377 174.637 176.000 0.025 0.000 0.951 336 Q CA -0.252 55.672 55.803 0.203 0.000 0.909 336 Q CB 1.376 30.347 28.738 0.389 0.000 1.236 336 Q HN 0.576 nan 8.270 nan 0.000 0.444 337 L N 4.083 125.356 121.223 0.083 0.000 2.257 337 L HA 0.405 4.737 4.340 -0.014 0.000 0.290 337 L C 0.328 177.228 176.870 0.051 0.000 1.044 337 L CA -0.320 54.554 54.840 0.057 0.000 0.810 337 L CB 0.870 43.012 42.059 0.137 0.000 1.193 337 L HN 0.661 nan 8.230 nan 0.000 0.425 338 N N 4.651 123.296 118.700 -0.092 0.000 2.508 338 N HA 0.008 4.739 4.740 -0.014 0.000 0.253 338 N C -0.349 175.178 175.510 0.029 0.000 1.145 338 N CA 0.002 53.042 53.050 -0.017 0.000 0.973 338 N CB 0.234 38.621 38.487 -0.167 0.000 1.305 338 N HN 0.691 nan 8.380 nan 0.000 0.506 339 D N 0.178 120.692 120.400 0.190 0.000 4.199 339 D HA -0.204 4.428 4.640 -0.014 0.000 0.291 339 D C 0.640 177.046 176.300 0.176 0.000 2.213 339 D CA 1.323 55.426 54.000 0.171 0.000 1.174 339 D CB -0.359 40.259 40.800 -0.304 0.000 1.012 339 D HN 0.528 nan 8.370 nan 0.000 1.213 340 T N -2.408 112.190 114.554 0.073 0.000 3.129 340 T HA 0.089 4.431 4.350 -0.014 0.000 0.251 340 T C 1.679 176.469 174.700 0.151 0.000 1.117 340 T CA 1.540 63.659 62.100 0.032 0.000 1.034 340 T CB -0.512 68.338 68.868 -0.030 0.000 0.968 340 T HN 0.507 nan 8.240 nan 0.000 0.526 341 H N 2.664 121.815 119.070 0.135 0.000 2.357 341 H HA -0.029 4.518 4.556 -0.014 0.000 0.296 341 H C -0.764 174.651 175.328 0.146 0.000 1.108 341 H CA 1.187 57.333 56.048 0.162 0.000 1.273 341 H CB -0.792 29.066 29.762 0.159 0.000 1.367 341 H HN 0.449 nan 8.280 nan 0.000 0.498 342 P HA 0.085 nan 4.420 nan 0.000 0.262 342 P C 0.749 178.100 177.300 0.084 0.000 1.651 342 P CA 0.387 63.573 63.100 0.144 0.000 1.119 342 P CB 0.455 32.229 31.700 0.124 0.000 1.552 343 S N -0.042 115.702 115.700 0.073 0.000 2.440 343 S HA -0.133 4.329 4.470 -0.014 0.000 0.238 343 S C 1.809 176.418 174.600 0.015 0.000 1.010 343 S CA 0.766 58.970 58.200 0.006 0.000 0.972 343 S CB -1.457 61.721 63.200 -0.037 0.000 0.774 343 S HN 0.150 nan 8.310 nan 0.000 0.501 344 L N 0.955 122.202 121.223 0.040 0.000 2.450 344 L HA 0.016 4.348 4.340 -0.014 0.000 0.224 344 L C 2.950 179.860 176.870 0.067 0.000 1.149 344 L CA 0.651 55.518 54.840 0.044 0.000 0.816 344 L CB -0.766 41.322 42.059 0.048 0.000 0.932 344 L HN 0.483 nan 8.230 nan 0.000 0.449 345 A N 0.527 123.369 122.820 0.036 0.000 1.978 345 A HA -0.189 4.122 4.320 -0.014 0.000 0.220 345 A C 2.182 179.771 177.584 0.009 0.000 1.170 345 A CA 1.408 53.452 52.037 0.011 0.000 0.636 345 A CB -0.455 18.543 19.000 -0.003 0.000 0.810 345 A HN 0.381 nan 8.150 nan 0.000 0.448 346 I N 0.267 120.846 120.570 0.014 0.000 2.133 346 I HA -0.144 4.018 4.170 -0.014 0.000 0.238 346 I C -0.337 175.803 176.117 0.039 0.000 1.074 346 I CA 1.524 62.833 61.300 0.014 0.000 1.342 346 I CB -1.083 36.930 38.000 0.022 0.000 1.053 346 I HN 0.253 nan 8.210 nan 0.000 0.404 347 P HA -0.146 nan 4.420 nan 0.000 0.225 347 P C 1.232 178.546 177.300 0.023 0.000 1.156 347 P CA 1.385 64.515 63.100 0.049 0.000 0.787 347 P CB 0.072 31.817 31.700 0.075 0.000 0.802 348 E N 0.453 120.730 120.200 0.128 0.000 2.072 348 E HA -0.144 4.197 4.350 -0.014 0.000 0.191 348 E C 1.927 178.511 176.600 -0.025 0.000 0.985 348 E CA 0.660 57.152 56.400 0.154 0.000 0.801 348 E CB -1.205 28.626 29.700 0.218 0.000 0.750 348 E HN -0.009 nan 8.360 nan 0.000 0.452 349 L N -0.019 121.164 121.223 -0.067 0.000 2.046 349 L HA -0.094 4.237 4.340 -0.014 0.000 0.208 349 L C 2.085 178.820 176.870 -0.224 0.000 1.077 349 L CA 1.732 56.477 54.840 -0.157 0.000 0.747 349 L CB -0.547 41.426 42.059 -0.145 0.000 0.896 349 L HN 0.236 nan 8.230 nan 0.000 0.432 350 M N -0.822 118.660 119.600 -0.197 0.000 2.086 350 M HA -0.210 4.262 4.480 -0.014 0.000 0.261 350 M C 2.432 178.564 176.300 -0.281 0.000 1.067 350 M CA 1.562 56.689 55.300 -0.289 0.000 1.116 350 M CB -1.198 31.213 32.600 -0.314 0.000 1.348 350 M HN 0.324 nan 8.290 nan 0.000 0.407 351 R N 0.046 120.406 120.500 -0.233 0.000 2.096 351 R HA -0.152 4.179 4.340 -0.014 0.000 0.240 351 R C 2.078 178.267 176.300 -0.186 0.000 1.139 351 R CA 1.824 57.788 56.100 -0.228 0.000 0.952 351 R CB -0.253 29.865 30.300 -0.303 0.000 0.854 351 R HN 0.203 nan 8.270 nan 0.000 0.436 352 V N 1.378 121.182 119.914 -0.183 0.000 2.261 352 V HA -0.257 3.854 4.120 -0.014 0.000 0.246 352 V C 2.415 178.342 176.094 -0.279 0.000 1.047 352 V CA 1.820 64.005 62.300 -0.192 0.000 1.015 352 V CB -0.399 31.309 31.823 -0.191 0.000 0.642 352 V HN 0.354 nan 8.190 nan 0.000 0.446 353 L N -0.661 120.336 121.223 -0.378 0.000 2.046 353 L HA -0.141 4.191 4.340 -0.014 0.000 0.208 353 L C 2.370 179.046 176.870 -0.323 0.000 1.077 353 L CA 1.137 55.688 54.840 -0.482 0.000 0.747 353 L CB -0.637 41.102 42.059 -0.532 0.000 0.896 353 L HN 0.216 nan 8.230 nan 0.000 0.432 354 V N -0.562 119.203 119.914 -0.248 0.000 2.300 354 V HA -0.176 3.935 4.120 -0.014 0.000 0.241 354 V C 2.010 178.048 176.094 -0.093 0.000 1.034 354 V CA 1.672 63.886 62.300 -0.144 0.000 1.021 354 V CB -0.360 31.402 31.823 -0.101 0.000 0.662 354 V HN 0.339 nan 8.190 nan 0.000 0.458 355 D N 0.072 120.412 120.400 -0.099 0.000 2.123 355 D HA -0.041 4.590 4.640 -0.014 0.000 0.200 355 D C 2.068 178.328 176.300 -0.068 0.000 0.976 355 D CA 1.229 55.186 54.000 -0.071 0.000 0.831 355 D CB -0.004 40.751 40.800 -0.075 0.000 0.974 355 D HN 0.322 nan 8.370 nan 0.000 0.469 356 L N 0.324 121.492 121.223 -0.092 0.000 2.189 356 L HA 0.064 4.395 4.340 -0.014 0.000 0.199 356 L C 2.061 178.888 176.870 -0.071 0.000 1.074 356 L CA 0.565 55.362 54.840 -0.072 0.000 0.783 356 L CB -0.137 41.879 42.059 -0.071 0.000 0.955 356 L HN -0.180 nan 8.230 nan 0.000 0.460 357 E N 0.736 120.856 120.200 -0.133 0.000 2.371 357 E HA -0.029 4.313 4.350 -0.014 0.000 0.194 357 E C 0.273 176.823 176.600 -0.083 0.000 1.012 357 E CA 0.075 56.402 56.400 -0.122 0.000 0.860 357 E CB 0.120 29.616 29.700 -0.340 0.000 0.811 357 E HN 0.247 nan 8.360 nan 0.000 0.502 358 R N -0.021 120.423 120.500 -0.093 0.000 3.531 358 R HA -0.186 4.146 4.340 -0.014 0.000 0.280 358 R C -0.661 175.614 176.300 -0.042 0.000 1.130 358 R CA 0.059 56.129 56.100 -0.050 0.000 0.757 358 R CB -2.063 28.228 30.300 -0.014 0.000 1.218 358 R HN 0.017 nan 8.270 nan 0.000 0.454 359 L N 1.422 122.591 121.223 -0.090 0.000 2.439 359 L HA 0.169 4.501 4.340 -0.014 0.000 0.261 359 L C 1.215 178.070 176.870 -0.025 0.000 1.153 359 L CA 0.076 54.879 54.840 -0.062 0.000 0.808 359 L CB 0.373 42.355 42.059 -0.128 0.000 1.126 359 L HN 0.116 nan 8.230 nan 0.000 0.460 360 D N 0.159 120.572 120.400 0.020 0.000 2.357 360 D HA -0.130 4.502 4.640 -0.014 0.000 0.242 360 D C 0.963 177.323 176.300 0.100 0.000 1.153 360 D CA -0.523 53.524 54.000 0.078 0.000 0.918 360 D CB 0.727 41.581 40.800 0.091 0.000 1.181 360 D HN 0.598 nan 8.370 nan 0.000 0.435 361 W N 2.055 123.355 121.300 0.000 0.000 2.301 361 W HA -0.253 4.398 4.660 -0.014 0.000 0.325 361 W C 1.195 177.756 176.519 0.070 0.000 1.250 361 W CA 2.071 59.423 57.345 0.011 0.000 1.261 361 W CB -0.340 29.107 29.460 -0.022 0.000 1.157 361 W HN 0.496 nan 8.180 nan 0.000 0.473 362 D N 0.101 120.701 120.400 0.333 0.000 2.149 362 D HA -0.211 4.420 4.640 -0.014 0.000 0.198 362 D C 2.046 178.446 176.300 0.165 0.000 0.990 362 D CA 1.407 55.575 54.000 0.279 0.000 0.839 362 D CB -0.381 40.558 40.800 0.232 0.000 0.948 362 D HN 0.111 nan 8.370 nan 0.000 0.460 363 K N 1.178 121.632 120.400 0.090 0.000 2.025 363 K HA -0.013 4.299 4.320 -0.014 0.000 0.207 363 K C 2.038 178.628 176.600 -0.016 0.000 1.049 363 K CA 1.002 57.315 56.287 0.044 0.000 0.933 363 K CB -0.370 32.150 32.500 0.033 0.000 0.714 363 K HN 0.013 nan 8.250 nan 0.000 0.438 364 A N 1.082 123.848 122.820 -0.090 0.000 1.883 364 A HA -0.205 4.106 4.320 -0.014 0.000 0.217 364 A C 2.184 179.678 177.584 -0.151 0.000 1.186 364 A CA 1.486 53.404 52.037 -0.198 0.000 0.624 364 A CB -1.166 17.643 19.000 -0.318 0.000 0.822 364 A HN 0.683 nan 8.150 nan 0.000 0.444 365 W N 0.661 121.747 121.300 -0.357 0.000 2.358 365 W HA -0.191 4.461 4.660 -0.014 0.000 0.303 365 W C 2.002 178.460 176.519 -0.101 0.000 1.208 365 W CA 1.861 59.047 57.345 -0.265 0.000 1.274 365 W CB -0.107 29.235 29.460 -0.196 0.000 1.138 365 W HN 0.628 nan 8.180 nan 0.000 0.515 366 E N 0.135 120.321 120.200 -0.024 0.000 2.058 366 E HA -0.232 4.110 4.350 -0.014 0.000 0.194 366 E C 2.036 178.554 176.600 -0.137 0.000 0.997 366 E CA 2.030 58.377 56.400 -0.088 0.000 0.801 366 E CB -0.371 29.340 29.700 0.018 0.000 0.746 366 E HN 0.065 nan 8.360 nan 0.000 0.450 367 V N 0.780 120.635 119.914 -0.097 0.000 2.343 367 V HA -0.259 3.853 4.120 -0.014 0.000 0.247 367 V C 2.415 178.452 176.094 -0.096 0.000 1.051 367 V CA 2.178 64.441 62.300 -0.061 0.000 1.036 367 V CB -0.779 31.008 31.823 -0.059 0.000 0.654 367 V HN 0.391 nan 8.190 nan 0.000 0.451 368 T N 0.097 114.528 114.554 -0.206 0.000 2.684 368 T HA -0.177 4.165 4.350 -0.014 0.000 0.267 368 T C 1.942 176.477 174.700 -0.274 0.000 1.036 368 T CA 1.800 63.758 62.100 -0.237 0.000 1.148 368 T CB -0.263 68.421 68.868 -0.306 0.000 0.863 368 T HN 0.295 nan 8.240 nan 0.000 0.436 369 V N 1.379 121.014 119.914 -0.466 0.000 2.407 369 V HA -0.146 3.965 4.120 -0.014 0.000 0.248 369 V C 2.356 178.409 176.094 -0.067 0.000 1.055 369 V CA 1.532 63.614 62.300 -0.364 0.000 1.049 369 V CB -0.484 31.038 31.823 -0.502 0.000 0.662 369 V HN 0.464 nan 8.190 nan 0.000 0.455 370 K N -0.442 119.901 120.400 -0.095 0.000 2.288 370 K HA -0.080 4.232 4.320 -0.014 0.000 0.201 370 K C 2.094 178.667 176.600 -0.044 0.000 1.048 370 K CA 1.485 57.703 56.287 -0.115 0.000 0.956 370 K CB -0.157 32.275 32.500 -0.113 0.000 0.746 370 K HN 0.470 nan 8.250 nan 0.000 0.461 371 T N 0.235 114.819 114.554 0.051 0.000 2.976 371 T HA 0.023 4.365 4.350 -0.014 0.000 0.257 371 T C 0.919 175.726 174.700 0.178 0.000 1.051 371 T CA 0.362 62.526 62.100 0.107 0.000 1.141 371 T CB 0.127 69.093 68.868 0.165 0.000 0.881 371 T HN 0.160 nan 8.240 nan 0.000 0.461 372 C N 2.443 121.835 119.300 0.153 0.000 2.401 372 C HA 0.879 5.330 4.460 -0.014 0.000 0.365 372 C C 0.588 175.641 174.990 0.105 0.000 1.250 372 C CA -1.269 57.824 59.018 0.124 0.000 2.131 372 C CB 0.067 27.821 27.740 0.023 0.000 2.445 372 C HN 0.579 nan 8.230 nan 0.000 0.550 373 A N 2.022 124.901 122.820 0.098 0.000 2.449 373 A HA 0.756 5.067 4.320 -0.014 0.000 0.302 373 A C -1.582 176.085 177.584 0.138 0.000 1.048 373 A CA -0.365 51.680 52.037 0.014 0.000 0.708 373 A CB 1.109 20.158 19.000 0.081 0.000 1.274 373 A HN 0.901 nan 8.150 nan 0.000 0.410 374 Y N 0.995 121.257 120.300 -0.063 0.000 2.376 374 Y HA 0.685 5.226 4.550 -0.014 0.000 0.340 374 Y C -0.568 175.333 175.900 0.002 0.000 0.965 374 Y CA -0.621 57.458 58.100 -0.035 0.000 1.078 374 Y CB 2.071 40.469 38.460 -0.103 0.000 1.193 374 Y HN 0.535 nan 8.280 nan 0.000 0.452 375 T N 7.086 121.453 114.554 -0.312 0.000 2.772 375 T HA 0.227 4.568 4.350 -0.014 0.000 0.288 375 T C -0.684 173.627 174.700 -0.648 0.000 0.994 375 T CA -0.775 61.097 62.100 -0.379 0.000 0.951 375 T CB 0.180 69.062 68.868 0.023 0.000 0.933 375 T HN 0.672 nan 8.240 nan 0.000 0.447 376 N N 1.909 120.195 118.700 -0.690 0.000 2.479 376 N HA 0.143 4.874 4.740 -0.014 0.000 0.285 376 N C -0.073 175.347 175.510 -0.150 0.000 1.075 376 N CA -0.150 52.719 53.050 -0.302 0.000 0.967 376 N CB 0.921 39.377 38.487 -0.052 0.000 1.137 376 N HN 0.634 nan 8.380 nan 0.000 0.472 377 H N 0.410 119.511 119.070 0.051 0.000 2.827 377 H HA 0.229 4.776 4.556 -0.014 0.000 0.269 377 H C -0.341 174.908 175.328 -0.131 0.000 1.031 377 H CA 0.108 56.137 56.048 -0.033 0.000 1.202 377 H CB 0.881 30.628 29.762 -0.025 0.000 1.511 377 H HN 0.539 nan 8.280 nan 0.000 0.517 378 T N -0.690 113.889 114.554 0.041 0.000 2.827 378 T HA 0.238 4.580 4.350 -0.014 0.000 0.328 378 T C -0.145 174.566 174.700 0.018 0.000 1.598 378 T CA -0.266 61.802 62.100 -0.054 0.000 1.043 378 T CB 0.874 69.701 68.868 -0.068 0.000 1.447 378 T HN -0.051 nan 8.240 nan 0.000 0.491 379 V N 1.141 121.029 119.914 -0.042 0.000 3.528 379 V HA 0.561 4.672 4.120 -0.014 0.000 0.294 379 V C 0.609 176.661 176.094 -0.071 0.000 1.404 379 V CA -0.261 62.005 62.300 -0.057 0.000 1.065 379 V CB -0.034 31.755 31.823 -0.056 0.000 0.904 379 V HN 0.728 nan 8.190 nan 0.000 0.435 380 I N 4.388 124.905 120.570 -0.088 0.000 2.587 380 I HA 0.176 4.338 4.170 -0.014 0.000 0.284 380 I C -0.355 175.754 176.117 -0.013 0.000 1.134 380 I CA -1.645 59.621 61.300 -0.057 0.000 1.410 380 I CB 1.155 39.090 38.000 -0.108 0.000 1.392 380 I HN 0.194 nan 8.210 nan 0.000 0.545 381 P HA -0.208 nan 4.420 nan 0.000 0.216 381 P C 0.973 178.272 177.300 -0.002 0.000 1.153 381 P CA 1.444 64.543 63.100 -0.002 0.000 0.858 381 P CB 0.072 31.777 31.700 0.008 0.000 0.789 382 E N 0.292 120.516 120.200 0.040 0.000 2.472 382 E HA -0.052 4.290 4.350 -0.014 0.000 0.200 382 E C 1.621 178.186 176.600 -0.058 0.000 1.046 382 E CA 1.066 57.474 56.400 0.014 0.000 0.871 382 E CB -0.722 29.082 29.700 0.173 0.000 0.806 382 E HN 0.237 nan 8.360 nan 0.000 0.533 383 A N 1.047 123.872 122.820 0.007 0.000 2.220 383 A HA 0.194 4.505 4.320 -0.014 0.000 0.211 383 A C 1.193 178.757 177.584 -0.033 0.000 1.176 383 A CA -0.332 51.722 52.037 0.030 0.000 0.834 383 A CB 0.111 19.157 19.000 0.076 0.000 0.868 383 A HN 0.148 nan 8.150 nan 0.000 0.488 384 L N 1.996 123.159 121.223 -0.100 0.000 2.462 384 L HA 0.085 4.416 4.340 -0.014 0.000 0.272 384 L C -0.085 176.455 176.870 -0.550 0.000 1.166 384 L CA 0.558 55.276 54.840 -0.203 0.000 0.880 384 L CB 0.189 42.158 42.059 -0.150 0.000 1.142 384 L HN 0.428 nan 8.230 nan 0.000 0.473 385 E N 5.222 124.999 120.200 -0.706 0.000 2.217 385 E HA 0.191 4.532 4.350 -0.014 0.000 0.279 385 E C -0.485 175.452 176.600 -1.104 0.000 1.068 385 E CA -0.184 55.324 56.400 -1.486 0.000 0.882 385 E CB 0.687 29.869 29.700 -0.863 0.000 1.039 385 E HN 0.386 nan 8.360 nan 0.000 0.418 386 R N 3.908 123.624 120.500 -1.306 0.000 2.472 386 R HA 0.208 4.539 4.340 -0.014 0.000 0.294 386 R C -1.233 174.877 176.300 -0.316 0.000 1.243 386 R CA -0.601 55.188 56.100 -0.518 0.000 1.023 386 R CB 0.866 31.004 30.300 -0.270 0.000 1.157 386 R HN 0.430 nan 8.270 nan 0.000 0.530 387 W N 4.140 125.391 121.300 -0.081 0.000 2.316 387 W HA 0.299 4.950 4.660 -0.014 0.000 0.311 387 W C -1.974 174.511 176.519 -0.056 0.000 1.217 387 W CA -2.198 55.156 57.345 0.015 0.000 1.199 387 W CB 0.722 30.172 29.460 -0.017 0.000 1.202 387 W HN 0.241 nan 8.180 nan 0.000 0.528 388 P HA -0.062 nan 4.420 nan 0.000 0.267 388 P C 0.784 177.986 177.300 -0.162 0.000 1.205 388 P CA 0.156 63.188 63.100 -0.113 0.000 0.765 388 P CB 0.835 32.288 31.700 -0.411 0.000 0.828 389 V N 3.290 123.157 119.914 -0.079 0.000 2.392 389 V HA -0.284 3.828 4.120 -0.014 0.000 0.249 389 V C 2.080 178.164 176.094 -0.017 0.000 1.059 389 V CA 2.474 64.762 62.300 -0.020 0.000 1.051 389 V CB -1.708 30.170 31.823 0.092 0.000 0.658 389 V HN 0.756 nan 8.190 nan 0.000 0.455 390 H N -1.035 118.091 119.070 0.094 0.000 2.489 390 H HA -0.084 4.463 4.556 -0.014 0.000 0.293 390 H C 1.936 177.311 175.328 0.079 0.000 1.066 390 H CA 1.562 57.660 56.048 0.084 0.000 1.305 390 H CB -0.605 29.208 29.762 0.085 0.000 1.386 390 H HN 0.372 nan 8.280 nan 0.000 0.551 391 L N -0.106 121.081 121.223 -0.061 0.000 2.049 391 L HA -0.046 4.286 4.340 -0.014 0.000 0.203 391 L C 2.391 179.247 176.870 -0.022 0.000 1.074 391 L CA 0.874 55.739 54.840 0.042 0.000 0.749 391 L CB -0.254 41.808 42.059 0.004 0.000 0.907 391 L HN 0.300 nan 8.230 nan 0.000 0.439 392 L N -0.409 120.759 121.223 -0.091 0.000 2.083 392 L HA -0.246 4.086 4.340 -0.014 0.000 0.209 392 L C 2.494 179.303 176.870 -0.101 0.000 1.083 392 L CA 1.246 55.994 54.840 -0.153 0.000 0.752 392 L CB -0.481 41.470 42.059 -0.180 0.000 0.899 392 L HN 0.356 nan 8.230 nan 0.000 0.433 393 E N -0.301 119.881 120.200 -0.029 0.000 2.077 393 E HA -0.201 4.140 4.350 -0.014 0.000 0.193 393 E C 1.929 178.568 176.600 0.065 0.000 0.989 393 E CA 1.832 58.243 56.400 0.019 0.000 0.800 393 E CB 0.157 29.904 29.700 0.080 0.000 0.746 393 E HN 0.409 nan 8.360 nan 0.000 0.452 394 T N 0.699 115.319 114.554 0.110 0.000 2.852 394 T HA -0.066 4.275 4.350 -0.014 0.000 0.256 394 T C 1.691 176.525 174.700 0.222 0.000 1.038 394 T CA 0.695 62.910 62.100 0.193 0.000 1.141 394 T CB -0.125 68.885 68.868 0.236 0.000 0.869 394 T HN 0.072 nan 8.240 nan 0.000 0.439 395 L N 0.180 121.444 121.223 0.068 0.000 2.095 395 L HA 0.329 4.660 4.340 -0.014 0.000 0.204 395 L C 0.406 177.218 176.870 -0.097 0.000 1.080 395 L CA 1.619 56.387 54.840 -0.121 0.000 0.759 395 L CB -0.030 41.920 42.059 -0.182 0.000 0.914 395 L HN 0.179 nan 8.230 nan 0.000 0.439 396 L N -0.299 120.821 121.223 -0.172 0.000 2.594 396 L HA 0.275 4.607 4.340 -0.014 0.000 0.245 396 L C -1.783 174.897 176.870 -0.317 0.000 1.460 396 L CA -1.191 53.449 54.840 -0.334 0.000 0.865 396 L CB 0.781 42.480 42.059 -0.600 0.000 1.131 396 L HN -0.072 nan 8.230 nan 0.000 0.506 397 P HA -0.240 nan 4.420 nan 0.000 0.217 397 P C 1.633 178.731 177.300 -0.337 0.000 1.162 397 P CA 1.370 64.338 63.100 -0.220 0.000 0.901 397 P CB 0.244 31.879 31.700 -0.108 0.000 0.793 398 R N -1.316 118.800 120.500 -0.640 0.000 2.092 398 R HA -0.141 4.191 4.340 -0.014 0.000 0.231 398 R C 2.129 178.117 176.300 -0.520 0.000 1.119 398 R CA 1.617 57.359 56.100 -0.596 0.000 0.970 398 R CB -1.158 28.636 30.300 -0.843 0.000 0.864 398 R HN 0.274 nan 8.270 nan 0.000 0.440 399 H N -0.309 118.447 119.070 -0.523 0.000 2.423 399 H HA -0.038 4.509 4.556 -0.014 0.000 0.297 399 H C 1.758 176.908 175.328 -0.297 0.000 1.075 399 H CA 1.547 57.372 56.048 -0.373 0.000 1.342 399 H CB -0.051 29.454 29.762 -0.428 0.000 1.395 399 H HN 0.106 nan 8.280 nan 0.000 0.530 400 L N 0.517 121.605 121.223 -0.224 0.000 2.056 400 L HA -0.224 4.107 4.340 -0.014 0.000 0.207 400 L C 1.766 178.425 176.870 -0.351 0.000 1.078 400 L CA 1.572 56.206 54.840 -0.344 0.000 0.749 400 L CB -0.256 41.610 42.059 -0.322 0.000 0.901 400 L HN 0.438 nan 8.230 nan 0.000 0.433 401 Q N -0.282 119.421 119.800 -0.163 0.000 2.084 401 Q HA -0.222 4.110 4.340 -0.014 0.000 0.202 401 Q C 2.167 178.174 176.000 0.011 0.000 0.978 401 Q CA 1.562 57.361 55.803 -0.006 0.000 0.844 401 Q CB -0.056 28.689 28.738 0.013 0.000 0.898 401 Q HN 0.570 nan 8.270 nan 0.000 0.426 402 I N 0.446 121.001 120.570 -0.025 0.000 2.315 402 I HA -0.248 3.914 4.170 -0.014 0.000 0.248 402 I C 2.161 178.343 176.117 0.109 0.000 1.117 402 I CA 0.969 62.336 61.300 0.111 0.000 1.404 402 I CB -0.150 37.866 38.000 0.026 0.000 1.071 402 I HN 0.199 nan 8.210 nan 0.000 0.419 403 I N -0.386 120.171 120.570 -0.020 0.000 2.252 403 I HA -0.305 3.857 4.170 -0.014 0.000 0.245 403 I C 2.433 178.573 176.117 0.039 0.000 1.102 403 I CA 1.396 62.679 61.300 -0.028 0.000 1.385 403 I CB -0.390 37.531 38.000 -0.133 0.000 1.064 403 I HN 0.152 nan 8.210 nan 0.000 0.414 404 Y N 0.956 121.253 120.300 -0.005 0.000 2.181 404 Y HA -0.261 4.280 4.550 -0.014 0.000 0.288 404 Y C 2.599 178.459 175.900 -0.066 0.000 1.146 404 Y CA 1.476 59.562 58.100 -0.024 0.000 1.164 404 Y CB -0.776 37.663 38.460 -0.036 0.000 0.982 404 Y HN 0.204 nan 8.280 nan 0.000 0.515 405 E N 0.371 120.607 120.200 0.060 0.000 2.072 405 E HA -0.144 4.198 4.350 -0.014 0.000 0.191 405 E C 2.050 178.555 176.600 -0.158 0.000 0.985 405 E CA 1.306 57.601 56.400 -0.175 0.000 0.801 405 E CB -0.508 28.941 29.700 -0.419 0.000 0.750 405 E HN 0.471 nan 8.360 nan 0.000 0.452 406 I N 0.604 121.179 120.570 0.008 0.000 2.226 406 I HA -0.255 3.907 4.170 -0.014 0.000 0.245 406 I C 2.268 178.377 176.117 -0.012 0.000 1.100 406 I CA 1.278 62.538 61.300 -0.066 0.000 1.374 406 I CB -0.398 37.560 38.000 -0.071 0.000 1.057 406 I HN 0.213 nan 8.210 nan 0.000 0.413 407 N N 0.700 119.444 118.700 0.074 0.000 2.104 407 N HA -0.273 4.459 4.740 -0.014 0.000 0.190 407 N C 1.834 177.431 175.510 0.146 0.000 1.024 407 N CA 1.528 54.677 53.050 0.165 0.000 0.853 407 N CB -0.097 38.504 38.487 0.191 0.000 1.008 407 N HN 0.175 nan 8.380 nan 0.000 0.424 408 Q N 0.792 120.618 119.800 0.044 0.000 2.020 408 Q HA -0.008 4.323 4.340 -0.014 0.000 0.202 408 Q C 1.936 177.923 176.000 -0.022 0.000 0.982 408 Q CA 1.710 57.504 55.803 -0.014 0.000 0.838 408 Q CB -0.174 28.513 28.738 -0.085 0.000 0.899 408 Q HN 0.372 nan 8.270 nan 0.000 0.423 409 R N -1.053 119.412 120.500 -0.059 0.000 2.120 409 R HA -0.120 4.212 4.340 -0.014 0.000 0.234 409 R C 2.181 178.515 176.300 0.056 0.000 1.123 409 R CA 1.227 57.295 56.100 -0.053 0.000 0.975 409 R CB -0.490 29.729 30.300 -0.134 0.000 0.866 409 R HN 0.290 nan 8.270 nan 0.000 0.446 410 F N 1.558 121.487 119.950 -0.035 0.000 2.113 410 F HA -0.067 4.451 4.527 -0.014 0.000 0.297 410 F C 1.918 177.741 175.800 0.038 0.000 1.103 410 F CA 1.222 59.248 58.000 0.043 0.000 1.248 410 F CB -0.222 38.832 39.000 0.089 0.000 0.999 410 F HN -0.136 nan 8.300 nan 0.000 0.475 411 L N 0.028 121.253 121.223 0.002 0.000 2.191 411 L HA -0.232 4.100 4.340 -0.014 0.000 0.212 411 L C 1.993 178.791 176.870 -0.120 0.000 1.103 411 L CA 1.498 56.275 54.840 -0.105 0.000 0.769 411 L CB -0.878 41.184 42.059 0.006 0.000 0.908 411 L HN 0.261 nan 8.230 nan 0.000 0.438 412 N N -0.290 118.363 118.700 -0.079 0.000 2.188 412 N HA -0.144 4.588 4.740 -0.014 0.000 0.184 412 N C 1.899 177.357 175.510 -0.087 0.000 1.018 412 N CA 0.681 53.688 53.050 -0.071 0.000 0.858 412 N CB 0.050 38.503 38.487 -0.055 0.000 0.989 412 N HN 0.304 nan 8.380 nan 0.000 0.426 413 R N 0.532 120.963 120.500 -0.115 0.000 2.090 413 R HA -0.010 4.321 4.340 -0.014 0.000 0.228 413 R C 2.147 178.354 176.300 -0.156 0.000 1.110 413 R CA 0.699 56.730 56.100 -0.116 0.000 0.973 413 R CB -0.274 29.975 30.300 -0.085 0.000 0.869 413 R HN 0.099 nan 8.270 nan 0.000 0.440 414 V N 1.131 120.898 119.914 -0.244 0.000 2.343 414 V HA -0.226 3.885 4.120 -0.014 0.000 0.247 414 V C 2.479 178.574 176.094 0.002 0.000 1.051 414 V CA 1.986 64.205 62.300 -0.135 0.000 1.036 414 V CB -0.684 30.978 31.823 -0.268 0.000 0.654 414 V HN 0.367 nan 8.190 nan 0.000 0.451 415 A N -0.050 122.740 122.820 -0.051 0.000 1.933 415 A HA -0.081 4.230 4.320 -0.014 0.000 0.218 415 A C 2.353 179.913 177.584 -0.040 0.000 1.175 415 A CA 1.963 53.986 52.037 -0.023 0.000 0.628 415 A CB -0.641 18.336 19.000 -0.039 0.000 0.814 415 A HN 0.576 nan 8.150 nan 0.000 0.444 416 A N -0.747 122.030 122.820 -0.072 0.000 2.014 416 A HA 0.341 4.652 4.320 -0.014 0.000 0.218 416 A C 2.268 179.761 177.584 -0.151 0.000 1.163 416 A CA 1.625 53.608 52.037 -0.090 0.000 0.652 416 A CB -0.520 18.433 19.000 -0.078 0.000 0.808 416 A HN 0.932 nan 8.150 nan 0.000 0.449 417 A N -1.763 120.921 122.820 -0.226 0.000 2.044 417 A HA 0.460 4.772 4.320 -0.014 0.000 0.213 417 A C 0.365 177.477 177.584 -0.786 0.000 1.169 417 A CA 0.356 52.087 52.037 -0.509 0.000 0.724 417 A CB 0.003 18.625 19.000 -0.630 0.000 0.840 417 A HN 0.384 nan 8.150 nan 0.000 0.463 418 F N 0.202 120.103 119.950 -0.082 0.000 2.584 418 F HA 0.347 4.866 4.527 -0.014 0.000 0.328 418 F C -2.784 172.977 175.800 -0.065 0.000 1.407 418 F CA -2.904 55.053 58.000 -0.073 0.000 1.145 418 F CB 0.659 39.607 39.000 -0.088 0.000 1.440 418 F HN -0.066 nan 8.300 nan 0.000 0.580 419 P HA 0.151 nan 4.420 nan 0.000 0.262 419 P C 1.037 178.355 177.300 0.029 0.000 1.182 419 P CA 1.191 64.299 63.100 0.012 0.000 0.761 419 P CB 0.778 32.467 31.700 -0.018 0.000 0.795 420 G N 2.694 111.505 108.800 0.017 0.000 2.234 420 G HA2 -0.261 3.690 3.960 -0.014 0.000 0.260 420 G HA3 -0.261 3.690 3.960 -0.014 0.000 0.260 420 G C 0.428 175.337 174.900 0.015 0.000 0.987 420 G CA 0.094 45.201 45.100 0.012 0.000 0.625 420 G HN 0.604 nan 8.290 nan 0.000 0.532 421 D N 1.581 122.000 120.400 0.032 0.000 2.545 421 D HA 0.349 4.981 4.640 -0.014 0.000 0.227 421 D C 2.156 178.447 176.300 -0.015 0.000 1.150 421 D CA 0.454 54.459 54.000 0.008 0.000 1.046 421 D CB 0.285 41.092 40.800 0.012 0.000 1.098 421 D HN 0.596 nan 8.370 nan 0.000 0.502 422 V N 0.549 120.455 119.914 -0.013 0.000 2.626 422 V HA -0.161 3.951 4.120 -0.014 0.000 0.252 422 V C 1.778 177.859 176.094 -0.022 0.000 1.067 422 V CA 1.548 63.839 62.300 -0.016 0.000 1.081 422 V CB -0.439 31.378 31.823 -0.010 0.000 0.686 422 V HN 0.204 nan 8.190 nan 0.000 0.468 423 D N 0.204 120.588 120.400 -0.027 0.000 2.183 423 D HA -0.125 4.507 4.640 -0.014 0.000 0.203 423 D C 2.328 178.600 176.300 -0.047 0.000 0.969 423 D CA 1.023 55.007 54.000 -0.027 0.000 0.842 423 D CB -0.168 40.617 40.800 -0.024 0.000 0.957 423 D HN 0.401 nan 8.370 nan 0.000 0.484 424 R N -0.177 120.271 120.500 -0.087 0.000 2.081 424 R HA -0.072 4.259 4.340 -0.014 0.000 0.235 424 R C 2.253 178.478 176.300 -0.125 0.000 1.131 424 R CA 0.840 56.849 56.100 -0.153 0.000 0.960 424 R CB -0.216 29.936 30.300 -0.248 0.000 0.856 424 R HN 0.260 nan 8.270 nan 0.000 0.436 425 L N 0.012 121.187 121.223 -0.080 0.000 2.012 425 L HA -0.207 4.125 4.340 -0.014 0.000 0.210 425 L C 2.850 179.717 176.870 -0.005 0.000 1.073 425 L CA 1.605 56.414 54.840 -0.051 0.000 0.748 425 L CB -0.499 41.541 42.059 -0.031 0.000 0.891 425 L HN 0.267 nan 8.230 nan 0.000 0.431 426 R N 0.223 120.727 120.500 0.006 0.000 2.115 426 R HA -0.114 4.217 4.340 -0.014 0.000 0.230 426 R C 2.440 178.787 176.300 0.078 0.000 1.111 426 R CA 1.084 57.210 56.100 0.043 0.000 0.976 426 R CB 0.025 30.345 30.300 0.034 0.000 0.870 426 R HN 0.308 nan 8.270 nan 0.000 0.445 427 R N -0.498 120.032 120.500 0.050 0.000 2.115 427 R HA 0.007 4.338 4.340 -0.014 0.000 0.226 427 R C 2.030 178.412 176.300 0.137 0.000 1.100 427 R CA 1.281 57.441 56.100 0.098 0.000 0.980 427 R CB -0.023 30.302 30.300 0.041 0.000 0.875 427 R HN 0.288 nan 8.270 nan 0.000 0.445 428 M N 0.196 119.799 119.600 0.006 0.000 2.509 428 M HA 0.048 4.520 4.480 -0.014 0.000 0.250 428 M C 0.879 177.332 176.300 0.255 0.000 1.132 428 M CA 0.020 55.282 55.300 -0.063 0.000 1.080 428 M CB 0.429 32.812 32.600 -0.361 0.000 1.408 428 M HN -0.081 nan 8.290 nan 0.000 0.484 429 S N 1.061 116.913 115.700 0.253 0.000 2.558 429 S HA 0.036 4.498 4.470 -0.014 0.000 0.287 429 S C 1.075 175.920 174.600 0.409 0.000 1.321 429 S CA -0.168 58.212 58.200 0.298 0.000 1.048 429 S CB 0.545 63.865 63.200 0.201 0.000 0.844 429 S HN 0.374 nan 8.310 nan 0.000 0.512 430 L N 3.851 125.273 121.223 0.331 0.000 2.478 430 L HA 0.132 4.464 4.340 -0.014 0.000 0.223 430 L C 0.053 177.040 176.870 0.196 0.000 1.140 430 L CA 0.183 55.185 54.840 0.270 0.000 0.842 430 L CB -0.259 41.897 42.059 0.161 0.000 0.953 430 L HN 0.389 nan 8.230 nan 0.000 0.452 431 V N 0.409 120.449 119.914 0.209 0.000 2.347 431 V HA 0.199 4.310 4.120 -0.014 0.000 0.280 431 V C 0.052 176.235 176.094 0.149 0.000 1.021 431 V CA -0.672 61.735 62.300 0.178 0.000 0.847 431 V CB 1.584 33.540 31.823 0.221 0.000 0.990 431 V HN 0.138 nan 8.190 nan 0.000 0.444 432 E N 3.698 123.965 120.200 0.111 0.000 2.200 432 E HA 0.301 4.643 4.350 -0.014 0.000 0.283 432 E C -0.353 176.297 176.600 0.084 0.000 1.015 432 E CA -0.510 55.945 56.400 0.092 0.000 0.819 432 E CB 1.098 30.832 29.700 0.056 0.000 1.081 432 E HN 0.593 nan 8.360 nan 0.000 0.397 433 E N 1.166 121.413 120.200 0.077 0.000 2.314 433 E HA 0.600 4.941 4.350 -0.014 0.000 0.262 433 E C 0.375 177.010 176.600 0.058 0.000 1.093 433 E CA -0.353 56.087 56.400 0.066 0.000 0.908 433 E CB 1.574 31.307 29.700 0.055 0.000 1.091 433 E HN 0.738 nan 8.360 nan 0.000 0.425 434 G N -0.818 108.014 108.800 0.054 0.000 2.357 434 G HA2 0.179 4.130 3.960 -0.014 0.000 0.289 434 G HA3 0.179 4.130 3.960 -0.014 0.000 0.289 434 G C 0.419 175.352 174.900 0.054 0.000 1.302 434 G CA 0.131 45.261 45.100 0.050 0.000 0.936 434 G HN 0.433 nan 8.290 nan 0.000 0.513 435 A N -1.249 121.602 122.820 0.051 0.000 1.927 435 A HA 0.273 4.585 4.320 -0.014 0.000 0.220 435 A C 1.578 179.206 177.584 0.073 0.000 1.185 435 A CA 3.026 55.096 52.037 0.055 0.000 0.639 435 A CB -0.516 18.514 19.000 0.050 0.000 0.820 435 A HN 2.187 nan 8.150 nan 0.000 0.451 436 V N 0.472 120.436 119.914 0.082 0.000 2.443 436 V HA 0.376 4.488 4.120 -0.014 0.000 0.293 436 V C -0.521 175.630 176.094 0.096 0.000 1.021 436 V CA -1.044 61.322 62.300 0.110 0.000 0.848 436 V CB 1.335 33.236 31.823 0.130 0.000 0.998 436 V HN 0.413 nan 8.190 nan 0.000 0.424 437 K N 5.891 126.355 120.400 0.106 0.000 2.382 437 K HA 0.441 4.752 4.320 -0.014 0.000 0.275 437 K C -0.318 176.331 176.600 0.081 0.000 1.009 437 K CA -0.049 56.298 56.287 0.099 0.000 0.970 437 K CB 0.743 33.319 32.500 0.126 0.000 0.934 437 K HN 0.668 nan 8.250 nan 0.000 0.479 438 R N 1.715 122.259 120.500 0.072 0.000 2.808 438 R HA 0.478 4.809 4.340 -0.014 0.000 0.272 438 R C -0.768 175.564 176.300 0.054 0.000 0.995 438 R CA -1.027 55.104 56.100 0.052 0.000 0.917 438 R CB 1.323 31.637 30.300 0.024 0.000 1.217 438 R HN 0.360 nan 8.270 nan 0.000 0.471 439 I N 1.942 122.541 120.570 0.048 0.000 2.354 439 I HA 0.167 4.328 4.170 -0.014 0.000 0.292 439 I C -0.253 175.847 176.117 -0.028 0.000 0.989 439 I CA -0.742 60.578 61.300 0.033 0.000 1.188 439 I CB 1.297 39.319 38.000 0.035 0.000 1.342 439 I HN 0.509 nan 8.210 nan 0.000 0.457 440 N N 7.266 125.921 118.700 -0.075 0.000 2.439 440 N HA 0.096 4.827 4.740 -0.014 0.000 0.243 440 N C 0.827 176.228 175.510 -0.181 0.000 1.088 440 N CA -0.346 52.574 53.050 -0.217 0.000 0.940 440 N CB 0.941 39.166 38.487 -0.436 0.000 1.180 440 N HN 0.376 nan 8.380 nan 0.000 0.505 441 M N 2.296 121.794 119.600 -0.170 0.000 2.279 441 M HA -0.073 4.399 4.480 -0.014 0.000 0.264 441 M C 1.864 178.015 176.300 -0.248 0.000 1.062 441 M CA 0.701 55.917 55.300 -0.139 0.000 1.099 441 M CB -1.488 31.073 32.600 -0.064 0.000 1.394 441 M HN 0.595 nan 8.290 nan 0.000 0.426 442 A N -0.680 121.979 122.820 -0.268 0.000 1.929 442 A HA -0.146 4.166 4.320 -0.014 0.000 0.216 442 A C 1.960 179.299 177.584 -0.409 0.000 1.176 442 A CA 1.258 53.094 52.037 -0.335 0.000 0.628 442 A CB -1.030 17.962 19.000 -0.013 0.000 0.816 442 A HN 0.588 nan 8.150 nan 0.000 0.444 443 H N -1.447 117.389 119.070 -0.391 0.000 2.389 443 H HA -0.073 4.475 4.556 -0.014 0.000 0.299 443 H C 2.078 177.175 175.328 -0.384 0.000 1.081 443 H CA 1.067 56.837 56.048 -0.464 0.000 1.345 443 H CB 0.039 29.740 29.762 -0.102 0.000 1.393 443 H HN 0.449 nan 8.280 nan 0.000 0.520 444 L N 0.529 121.663 121.223 -0.147 0.000 2.046 444 L HA -0.148 4.184 4.340 -0.014 0.000 0.208 444 L C 2.185 178.927 176.870 -0.213 0.000 1.077 444 L CA 1.413 56.170 54.840 -0.138 0.000 0.747 444 L CB -0.700 41.309 42.059 -0.084 0.000 0.896 444 L HN 0.268 nan 8.230 nan 0.000 0.432 445 C N -0.233 118.843 119.300 -0.373 0.000 2.429 445 C HA -0.116 4.335 4.460 -0.014 0.000 0.277 445 C C 2.712 177.477 174.990 -0.376 0.000 1.262 445 C CA 0.990 59.721 59.018 -0.478 0.000 1.733 445 C CB -0.933 26.158 27.740 -1.082 0.000 2.010 445 C HN 0.619 nan 8.230 nan 0.000 0.483 446 I N 1.433 121.734 120.570 -0.449 0.000 2.226 446 I HA -0.217 3.945 4.170 -0.014 0.000 0.245 446 I C 2.751 178.739 176.117 -0.215 0.000 1.100 446 I CA 1.677 62.761 61.300 -0.360 0.000 1.374 446 I CB -0.563 37.083 38.000 -0.591 0.000 1.057 446 I HN 0.281 nan 8.210 nan 0.000 0.413 447 A N 0.559 123.228 122.820 -0.253 0.000 1.933 447 A HA -0.087 4.225 4.320 -0.014 0.000 0.218 447 A C 2.203 179.830 177.584 0.071 0.000 1.175 447 A CA 1.836 53.767 52.037 -0.176 0.000 0.628 447 A CB -1.107 17.606 19.000 -0.479 0.000 0.814 447 A HN 0.478 nan 8.150 nan 0.000 0.444 448 G N -1.069 107.720 108.800 -0.017 0.000 3.371 448 G HA2 0.419 4.370 3.960 -0.014 0.000 0.248 448 G HA3 0.419 4.370 3.960 -0.014 0.000 0.248 448 G C 0.055 174.802 174.900 -0.255 0.000 1.161 448 G CA 0.454 45.422 45.100 -0.220 0.000 0.796 448 G HN 0.339 nan 8.290 nan 0.000 0.539 449 S N -0.302 115.301 115.700 -0.162 0.000 2.536 449 S HA 0.322 4.783 4.470 -0.014 0.000 0.298 449 S C 0.704 175.251 174.600 -0.088 0.000 1.083 449 S CA -0.720 57.411 58.200 -0.116 0.000 0.995 449 S CB 1.277 64.416 63.200 -0.102 0.000 1.058 449 S HN 0.503 nan 8.310 nan 0.000 0.488 450 H N -0.080 118.955 119.070 -0.058 0.000 2.548 450 H HA 0.501 5.048 4.556 -0.014 0.000 0.265 450 H C 0.126 175.441 175.328 -0.022 0.000 0.969 450 H CA 0.257 56.295 56.048 -0.017 0.000 1.155 450 H CB 0.124 29.893 29.762 0.012 0.000 1.394 450 H HN 0.517 nan 8.280 nan 0.000 0.570 451 A N 0.873 123.374 122.820 -0.531 0.000 2.520 451 A HA 0.565 4.876 4.320 -0.014 0.000 0.298 451 A C -1.458 175.927 177.584 -0.331 0.000 1.051 451 A CA -0.570 51.214 52.037 -0.421 0.000 0.690 451 A CB 2.249 20.959 19.000 -0.484 0.000 1.281 451 A HN 0.096 nan 8.150 nan 0.000 0.402 452 V N 4.108 123.797 119.914 -0.375 0.000 2.569 452 V HA 0.528 4.640 4.120 -0.014 0.000 0.301 452 V C -0.900 175.007 176.094 -0.312 0.000 1.044 452 V CA -0.767 61.305 62.300 -0.379 0.000 0.874 452 V CB 1.850 33.311 31.823 -0.603 0.000 1.002 452 V HN 1.029 nan 8.190 nan 0.000 0.424 453 N N 3.165 121.705 118.700 -0.268 0.000 2.229 453 N HA 0.620 5.351 4.740 -0.014 0.000 0.298 453 N C -0.242 175.168 175.510 -0.168 0.000 1.114 453 N CA -0.361 52.573 53.050 -0.193 0.000 0.776 453 N CB 2.860 41.212 38.487 -0.226 0.000 1.501 453 N HN 0.630 nan 8.380 nan 0.000 0.474 454 G N -0.783 107.948 108.800 -0.115 0.000 2.535 454 G HA2 0.415 4.367 3.960 -0.014 0.000 0.303 454 G HA3 0.415 4.367 3.960 -0.014 0.000 0.303 454 G C 0.752 175.709 174.900 0.096 0.000 1.237 454 G CA -0.491 44.581 45.100 -0.047 0.000 0.986 454 G HN 0.629 nan 8.290 nan 0.000 0.494 455 V N -3.575 116.524 119.914 0.308 0.000 3.376 455 V HA 0.689 4.800 4.120 -0.014 0.000 0.313 455 V C 0.544 176.710 176.094 0.120 0.000 1.393 455 V CA 0.297 62.670 62.300 0.122 0.000 1.125 455 V CB -0.873 30.952 31.823 0.003 0.000 1.037 455 V HN 1.362 nan 8.190 nan 0.000 0.440 456 A N -0.152 122.754 122.820 0.143 0.000 2.594 456 A HA 0.612 4.923 4.320 -0.014 0.000 0.296 456 A C 0.678 178.308 177.584 0.077 0.000 1.056 456 A CA -0.103 51.995 52.037 0.101 0.000 0.693 456 A CB 1.124 20.173 19.000 0.083 0.000 1.278 456 A HN 0.031 nan 8.150 nan 0.000 0.408 457 R N 0.959 121.483 120.500 0.039 0.000 2.112 457 R HA -0.185 4.146 4.340 -0.014 0.000 0.242 457 R C 1.702 177.997 176.300 -0.009 0.000 1.137 457 R CA 2.399 58.501 56.100 0.003 0.000 0.944 457 R CB -0.253 30.044 30.300 -0.004 0.000 0.857 457 R HN 0.835 nan 8.270 nan 0.000 0.435 458 I N 0.212 120.786 120.570 0.007 0.000 2.361 458 I HA -0.284 3.877 4.170 -0.014 0.000 0.251 458 I C 2.316 178.440 176.117 0.011 0.000 1.133 458 I CA 1.835 63.132 61.300 -0.005 0.000 1.413 458 I CB -0.219 37.777 38.000 -0.006 0.000 1.073 458 I HN 0.352 nan 8.210 nan 0.000 0.424 459 H N 0.184 119.220 119.070 -0.057 0.000 2.357 459 H HA -0.087 4.460 4.556 -0.014 0.000 0.301 459 H C 2.231 177.517 175.328 -0.070 0.000 1.082 459 H CA 2.099 58.107 56.048 -0.067 0.000 1.342 459 H CB -0.238 29.489 29.762 -0.058 0.000 1.389 459 H HN 0.226 nan 8.280 nan 0.000 0.511 460 S N 0.292 115.856 115.700 -0.226 0.000 2.402 460 S HA -0.108 4.354 4.470 -0.014 0.000 0.229 460 S C 1.864 176.334 174.600 -0.216 0.000 1.021 460 S CA 1.094 59.139 58.200 -0.258 0.000 0.974 460 S CB -0.043 63.082 63.200 -0.125 0.000 0.800 460 S HN 0.474 nan 8.310 nan 0.000 0.484 461 E N 1.258 121.356 120.200 -0.169 0.000 2.072 461 E HA 0.014 4.355 4.350 -0.014 0.000 0.190 461 E C 2.019 178.501 176.600 -0.197 0.000 0.982 461 E CA 0.646 56.939 56.400 -0.178 0.000 0.803 461 E CB -0.371 29.257 29.700 -0.121 0.000 0.755 461 E HN 0.496 nan 8.360 nan 0.000 0.453 462 I N 1.053 121.523 120.570 -0.167 0.000 2.335 462 I HA -0.274 3.887 4.170 -0.014 0.000 0.251 462 I C 2.368 178.357 176.117 -0.213 0.000 1.129 462 I CA 0.799 62.007 61.300 -0.155 0.000 1.402 462 I CB -0.224 37.717 38.000 -0.098 0.000 1.069 462 I HN 0.065 nan 8.210 nan 0.000 0.424 463 L N 0.292 121.348 121.223 -0.277 0.000 2.093 463 L HA -0.205 4.126 4.340 -0.014 0.000 0.208 463 L C 2.425 179.163 176.870 -0.221 0.000 1.085 463 L CA 1.474 56.151 54.840 -0.272 0.000 0.755 463 L CB -0.470 41.483 42.059 -0.176 0.000 0.904 463 L HN 0.198 nan 8.230 nan 0.000 0.435 464 K N -0.158 120.045 120.400 -0.328 0.000 2.243 464 K HA -0.071 4.241 4.320 -0.014 0.000 0.201 464 K C 2.000 178.408 176.600 -0.320 0.000 1.051 464 K CA 0.733 56.700 56.287 -0.533 0.000 0.970 464 K CB 0.153 32.086 32.500 -0.945 0.000 0.755 464 K HN 0.249 nan 8.250 nan 0.000 0.465 465 K N -0.031 120.235 120.400 -0.223 0.000 2.211 465 K HA -0.030 4.281 4.320 -0.014 0.000 0.201 465 K C 1.915 178.465 176.600 -0.083 0.000 1.052 465 K CA 1.462 57.672 56.287 -0.128 0.000 0.973 465 K CB 0.403 32.837 32.500 -0.111 0.000 0.766 465 K HN 0.241 nan 8.250 nan 0.000 0.466 466 T N -1.283 113.211 114.554 -0.100 0.000 3.257 466 T HA 0.044 4.385 4.350 -0.014 0.000 0.176 466 T C 1.667 176.330 174.700 -0.061 0.000 0.892 466 T CA -0.248 61.809 62.100 -0.071 0.000 1.147 466 T CB -0.740 68.079 68.868 -0.080 0.000 1.840 466 T HN -0.064 nan 8.240 nan 0.000 0.375 467 I N 1.333 121.810 120.570 -0.154 0.000 2.143 467 I HA -0.080 4.082 4.170 -0.014 0.000 0.245 467 I C 1.096 177.191 176.117 -0.036 0.000 1.068 467 I CA 1.726 62.884 61.300 -0.236 0.000 1.326 467 I CB -0.405 37.236 38.000 -0.599 0.000 1.028 467 I HN 0.547 nan 8.210 nan 0.000 0.412 468 F N -0.472 119.543 119.950 0.109 0.000 2.791 468 F HA 0.218 4.736 4.527 -0.014 0.000 0.308 468 F C 1.797 177.678 175.800 0.135 0.000 1.138 468 F CA -0.515 57.617 58.000 0.220 0.000 1.294 468 F CB -0.100 39.037 39.000 0.229 0.000 0.975 468 F HN -0.070 nan 8.300 nan 0.000 0.512 469 K N 1.067 121.585 120.400 0.198 0.000 2.044 469 K HA -0.214 4.097 4.320 -0.014 0.000 0.210 469 K C 1.333 177.992 176.600 0.100 0.000 1.049 469 K CA 2.221 58.568 56.287 0.100 0.000 0.927 469 K CB 0.001 32.526 32.500 0.041 0.000 0.713 469 K HN 0.185 nan 8.250 nan 0.000 0.443 470 D N -0.102 120.337 120.400 0.064 0.000 2.123 470 D HA -0.166 4.466 4.640 -0.014 0.000 0.196 470 D C 1.840 178.048 176.300 -0.154 0.000 0.992 470 D CA 1.258 55.164 54.000 -0.155 0.000 0.833 470 D CB -0.304 40.309 40.800 -0.312 0.000 0.954 470 D HN 0.244 nan 8.370 nan 0.000 0.455 471 F N -0.031 119.985 119.950 0.110 0.000 2.186 471 F HA -0.134 4.384 4.527 -0.014 0.000 0.299 471 F C 2.336 178.273 175.800 0.227 0.000 1.090 471 F CA 0.445 58.585 58.000 0.233 0.000 1.307 471 F CB -0.761 38.443 39.000 0.341 0.000 1.019 471 F HN -0.027 nan 8.300 nan 0.000 0.489 472 Y N 1.160 121.432 120.300 -0.047 0.000 2.274 472 Y HA -0.172 4.369 4.550 -0.014 0.000 0.290 472 Y C 2.135 178.020 175.900 -0.026 0.000 1.145 472 Y CA 1.521 59.410 58.100 -0.351 0.000 1.203 472 Y CB -0.606 37.465 38.460 -0.648 0.000 0.984 472 Y HN 0.125 nan 8.280 nan 0.000 0.533 473 E N -0.497 119.636 120.200 -0.113 0.000 2.150 473 E HA -0.157 4.184 4.350 -0.014 0.000 0.193 473 E C 1.933 178.576 176.600 0.071 0.000 0.985 473 E CA 1.068 57.410 56.400 -0.096 0.000 0.814 473 E CB -0.222 29.463 29.700 -0.026 0.000 0.752 473 E HN 0.452 nan 8.360 nan 0.000 0.466 474 L N 0.669 121.975 121.223 0.139 0.000 2.131 474 L HA 0.017 4.348 4.340 -0.014 0.000 0.206 474 L C 0.034 177.002 176.870 0.163 0.000 1.087 474 L CA 1.544 56.511 54.840 0.211 0.000 0.767 474 L CB 0.438 42.616 42.059 0.199 0.000 0.917 474 L HN -0.108 nan 8.230 nan 0.000 0.441 475 E N -0.028 120.266 120.200 0.157 0.000 3.352 475 E HA 0.175 4.517 4.350 -0.014 0.000 0.254 475 E C -2.008 174.579 176.600 -0.022 0.000 1.229 475 E CA -1.151 55.279 56.400 0.049 0.000 0.949 475 E CB 0.765 30.470 29.700 0.009 0.000 1.373 475 E HN 0.177 nan 8.360 nan 0.000 0.392 476 P HA -0.255 nan 4.420 nan 0.000 0.219 476 P C 1.174 178.609 177.300 0.225 0.000 1.146 476 P CA 1.421 64.488 63.100 -0.054 0.000 0.808 476 P CB -0.021 31.508 31.700 -0.286 0.000 0.779 477 H N 0.274 119.460 119.070 0.192 0.000 2.491 477 H HA 0.061 4.608 4.556 -0.014 0.000 0.290 477 H C 1.471 176.894 175.328 0.158 0.000 1.050 477 H CA 0.814 56.959 56.048 0.163 0.000 1.309 477 H CB -0.733 29.093 29.762 0.107 0.000 1.392 477 H HN 0.171 nan 8.280 nan 0.000 0.554 478 K N 0.287 120.556 120.400 -0.217 0.000 2.217 478 K HA 0.031 4.342 4.320 -0.014 0.000 0.202 478 K C -0.139 176.301 176.600 -0.266 0.000 1.051 478 K CA 0.236 56.381 56.287 -0.237 0.000 0.952 478 K CB 0.064 32.310 32.500 -0.423 0.000 0.736 478 K HN 0.088 nan 8.250 nan 0.000 0.453 479 F N 2.006 121.984 119.950 0.045 0.000 2.438 479 F HA 0.155 4.673 4.527 -0.014 0.000 0.356 479 F C 0.527 176.327 175.800 -0.000 0.000 1.099 479 F CA 0.021 58.048 58.000 0.045 0.000 1.185 479 F CB 0.718 39.793 39.000 0.125 0.000 1.115 479 F HN -0.082 nan 8.300 nan 0.000 0.526 480 Q N 1.663 121.485 119.800 0.036 0.000 2.605 480 Q HA 0.379 4.711 4.340 -0.014 0.000 0.296 480 Q C -1.152 174.803 176.000 -0.076 0.000 1.056 480 Q CA -1.274 54.508 55.803 -0.035 0.000 0.778 480 Q CB 3.127 31.794 28.738 -0.118 0.000 1.497 480 Q HN 0.633 nan 8.270 nan 0.000 0.443 481 N N 0.562 119.199 118.700 -0.106 0.000 2.238 481 N HA 0.302 5.033 4.740 -0.014 0.000 0.302 481 N C -1.510 173.896 175.510 -0.173 0.000 1.072 481 N CA -0.401 52.584 53.050 -0.110 0.000 0.792 481 N CB 1.134 39.579 38.487 -0.069 0.000 1.425 481 N HN 0.282 nan 8.380 nan 0.000 0.478 482 K N 2.641 122.943 120.400 -0.162 0.000 2.803 482 K HA 0.168 4.479 4.320 -0.014 0.000 0.229 482 K C -1.052 175.547 176.600 -0.003 0.000 1.084 482 K CA -0.455 55.705 56.287 -0.211 0.000 1.063 482 K CB 1.066 33.212 32.500 -0.590 0.000 1.254 482 K HN 0.561 nan 8.250 nan 0.000 0.551 483 T N 1.913 116.485 114.554 0.030 0.000 2.908 483 T HA 0.040 4.381 4.350 -0.014 0.000 0.301 483 T C 0.819 175.638 174.700 0.198 0.000 1.019 483 T CA 0.429 62.598 62.100 0.114 0.000 1.152 483 T CB 0.259 69.197 68.868 0.116 0.000 0.966 483 T HN 0.337 nan 8.240 nan 0.000 0.540 484 N N 0.664 119.501 118.700 0.229 0.000 2.267 484 N HA 0.380 5.111 4.740 -0.014 0.000 0.226 484 N C 0.473 176.163 175.510 0.300 0.000 1.314 484 N CA -0.122 53.099 53.050 0.284 0.000 0.887 484 N CB 0.368 38.966 38.487 0.184 0.000 1.120 484 N HN 0.765 nan 8.380 nan 0.000 0.440 485 G N -0.599 108.392 108.800 0.317 0.000 2.682 485 G HA2 0.592 4.544 3.960 -0.014 0.000 0.290 485 G HA3 0.592 4.544 3.960 -0.014 0.000 0.290 485 G C -1.349 173.691 174.900 0.235 0.000 1.425 485 G CA -0.733 44.540 45.100 0.288 0.000 0.807 485 G HN 0.595 nan 8.290 nan 0.000 0.482 486 I N -2.202 118.491 120.570 0.204 0.000 2.785 486 I HA 0.759 4.921 4.170 -0.014 0.000 0.302 486 I C -0.230 176.055 176.117 0.280 0.000 1.069 486 I CA -0.948 60.470 61.300 0.197 0.000 1.045 486 I CB 2.479 40.486 38.000 0.011 0.000 1.236 486 I HN 0.488 nan 8.210 nan 0.000 0.429 487 T N 4.352 119.131 114.554 0.375 0.000 2.761 487 T HA 0.345 4.687 4.350 -0.014 0.000 0.296 487 T C -1.294 173.527 174.700 0.203 0.000 0.934 487 T CA -1.677 60.559 62.100 0.228 0.000 1.091 487 T CB 0.788 69.730 68.868 0.124 0.000 0.896 487 T HN 0.641 nan 8.240 nan 0.000 0.515 488 P HA -0.010 nan 4.420 nan 0.000 0.230 488 P C 1.120 178.394 177.300 -0.043 0.000 1.158 488 P CA 0.446 63.587 63.100 0.069 0.000 0.769 488 P CB 0.389 32.114 31.700 0.042 0.000 0.807 489 R N 0.466 120.892 120.500 -0.124 0.000 2.064 489 R HA -0.001 4.330 4.340 -0.014 0.000 0.228 489 R C 2.755 178.935 176.300 -0.200 0.000 1.144 489 R CA 1.595 57.578 56.100 -0.195 0.000 0.932 489 R CB -1.187 28.999 30.300 -0.191 0.000 0.833 489 R HN 0.050 nan 8.270 nan 0.000 0.429 490 R N -0.835 119.485 120.500 -0.301 0.000 2.092 490 R HA -0.106 4.226 4.340 -0.014 0.000 0.231 490 R C 1.026 176.953 176.300 -0.622 0.000 1.119 490 R CA 1.492 57.263 56.100 -0.549 0.000 0.970 490 R CB -0.141 29.655 30.300 -0.840 0.000 0.864 490 R HN 0.292 nan 8.270 nan 0.000 0.440 491 W N -0.028 121.230 121.300 -0.070 0.000 3.405 491 W HA 0.146 4.797 4.660 -0.015 0.000 0.300 491 W C 0.918 177.408 176.519 -0.049 0.000 1.286 491 W CA -0.671 56.631 57.345 -0.071 0.000 1.762 491 W CB 0.395 29.816 29.460 -0.064 0.000 1.087 491 W HN 0.222 nan 8.180 nan 0.000 0.703 492 L N -2.339 118.934 121.223 0.082 0.000 2.604 492 L HA 0.173 4.505 4.340 -0.014 0.000 0.150 492 L C 1.785 178.673 176.870 0.030 0.000 1.292 492 L CA 0.722 55.611 54.840 0.082 0.000 0.977 492 L CB -0.874 41.261 42.059 0.126 0.000 1.943 492 L HN -0.256 nan 8.230 nan 0.000 0.508 493 V N 1.283 121.196 119.914 -0.001 0.000 2.255 493 V HA -0.299 3.813 4.120 -0.014 0.000 0.247 493 V C 2.465 178.533 176.094 -0.043 0.000 1.051 493 V CA 2.580 64.869 62.300 -0.019 0.000 1.018 493 V CB -0.788 30.996 31.823 -0.065 0.000 0.641 493 V HN 0.528 nan 8.190 nan 0.000 0.445 494 L N 0.463 121.630 121.223 -0.094 0.000 2.027 494 L HA -0.200 4.132 4.340 -0.014 0.000 0.206 494 L C 2.446 179.251 176.870 -0.109 0.000 1.074 494 L CA 2.432 57.200 54.840 -0.119 0.000 0.745 494 L CB -0.253 41.687 42.059 -0.198 0.000 0.898 494 L HN 0.693 nan 8.230 nan 0.000 0.433 495 C N -1.974 117.258 119.300 -0.114 0.000 2.634 495 C HA 0.219 4.671 4.460 -0.014 0.000 0.268 495 C C 1.178 176.151 174.990 -0.029 0.000 1.322 495 C CA -0.344 58.626 59.018 -0.080 0.000 1.737 495 C CB -0.929 26.762 27.740 -0.081 0.000 1.976 495 C HN 0.579 nan 8.230 nan 0.000 0.547 496 N N 1.243 119.938 118.700 -0.009 0.000 2.703 496 N HA 0.274 5.006 4.740 -0.014 0.000 0.283 496 N C -1.644 173.876 175.510 0.018 0.000 1.851 496 N CA -1.616 51.440 53.050 0.010 0.000 0.826 496 N CB 0.769 39.271 38.487 0.025 0.000 1.239 496 N HN 0.255 nan 8.380 nan 0.000 0.495 497 P HA -0.094 nan 4.420 nan 0.000 0.215 497 P C 1.429 178.744 177.300 0.026 0.000 1.153 497 P CA 1.136 64.246 63.100 0.017 0.000 0.853 497 P CB 0.167 31.869 31.700 0.004 0.000 0.788 498 G N 0.502 109.312 108.800 0.017 0.000 2.469 498 G HA2 -0.261 3.691 3.960 -0.014 0.000 0.219 498 G HA3 -0.261 3.691 3.960 -0.014 0.000 0.219 498 G C 1.559 176.469 174.900 0.017 0.000 1.150 498 G CA 0.836 45.944 45.100 0.014 0.000 0.763 498 G HN 0.275 nan 8.290 nan 0.000 0.561 499 L N 1.070 122.305 121.223 0.019 0.000 2.131 499 L HA 0.347 4.678 4.340 -0.014 0.000 0.206 499 L C 3.011 179.909 176.870 0.047 0.000 1.087 499 L CA 1.870 56.721 54.840 0.017 0.000 0.767 499 L CB -0.666 41.401 42.059 0.014 0.000 0.917 499 L HN 0.212 nan 8.230 nan 0.000 0.441 500 A N -0.727 122.141 122.820 0.081 0.000 1.933 500 A HA -0.227 4.085 4.320 -0.014 0.000 0.218 500 A C 2.224 179.903 177.584 0.158 0.000 1.175 500 A CA 1.711 53.848 52.037 0.166 0.000 0.628 500 A CB -0.613 18.484 19.000 0.162 0.000 0.814 500 A HN 0.519 nan 8.150 nan 0.000 0.444 501 E N 0.764 121.020 120.200 0.093 0.000 2.028 501 E HA -0.164 4.177 4.350 -0.014 0.000 0.191 501 E C 1.857 178.498 176.600 0.067 0.000 0.988 501 E CA 1.629 58.075 56.400 0.076 0.000 0.799 501 E CB -0.523 29.204 29.700 0.046 0.000 0.755 501 E HN 0.737 nan 8.360 nan 0.000 0.447 502 I N -1.795 118.810 120.570 0.059 0.000 2.614 502 I HA -0.113 4.048 4.170 -0.014 0.000 0.258 502 I C 2.041 178.222 176.117 0.106 0.000 1.189 502 I CA 1.026 62.374 61.300 0.081 0.000 1.462 502 I CB -0.281 37.762 38.000 0.072 0.000 1.092 502 I HN 0.025 nan 8.210 nan 0.000 0.442 503 I N 1.780 122.383 120.570 0.056 0.000 2.333 503 I HA -0.112 4.049 4.170 -0.014 0.000 0.246 503 I C 3.010 179.072 176.117 -0.091 0.000 1.106 503 I CA 1.098 62.356 61.300 -0.070 0.000 1.411 503 I CB -0.429 37.413 38.000 -0.264 0.000 1.082 503 I HN 0.276 nan 8.210 nan 0.000 0.420 504 A N 0.627 123.491 122.820 0.073 0.000 1.940 504 A HA -0.242 4.069 4.320 -0.014 0.000 0.219 504 A C 2.150 179.764 177.584 0.051 0.000 1.176 504 A CA 1.704 53.839 52.037 0.164 0.000 0.631 504 A CB -0.620 18.502 19.000 0.202 0.000 0.814 504 A HN 0.431 nan 8.150 nan 0.000 0.446 505 E N -0.717 119.494 120.200 0.018 0.000 2.130 505 E HA -0.213 4.128 4.350 -0.014 0.000 0.196 505 E C 2.278 178.844 176.600 -0.058 0.000 0.998 505 E CA 1.266 57.663 56.400 -0.006 0.000 0.806 505 E CB -0.070 29.633 29.700 0.004 0.000 0.738 505 E HN 0.494 nan 8.360 nan 0.000 0.459 506 R N 0.100 120.503 120.500 -0.162 0.000 2.090 506 R HA 0.067 4.399 4.340 -0.014 0.000 0.219 506 R C 2.303 178.505 176.300 -0.163 0.000 1.100 506 R CA 0.914 56.838 56.100 -0.293 0.000 0.991 506 R CB -0.151 29.640 30.300 -0.848 0.000 0.893 506 R HN 0.339 nan 8.270 nan 0.000 0.443 507 I N -3.226 117.266 120.570 -0.129 0.000 4.147 507 I HA 0.436 4.597 4.170 -0.014 0.000 0.329 507 I C 0.378 176.532 176.117 0.062 0.000 1.424 507 I CA 0.027 61.312 61.300 -0.026 0.000 1.127 507 I CB 0.881 38.850 38.000 -0.051 0.000 1.128 507 I HN 0.169 nan 8.210 nan 0.000 0.417 508 G N 2.382 111.231 108.800 0.082 0.000 2.660 508 G HA2 -0.203 3.749 3.960 -0.014 0.000 0.247 508 G HA3 -0.203 3.749 3.960 -0.014 0.000 0.247 508 G C -0.104 174.927 174.900 0.218 0.000 1.328 508 G CA 0.144 45.315 45.100 0.118 0.000 0.884 508 G HN 0.471 nan 8.290 nan 0.000 0.531 509 E N -0.105 120.164 120.200 0.116 0.000 2.476 509 E HA 0.146 4.487 4.350 -0.014 0.000 0.199 509 E C 1.841 178.363 176.600 -0.131 0.000 1.021 509 E CA 0.392 56.782 56.400 -0.016 0.000 0.907 509 E CB 0.466 30.157 29.700 -0.015 0.000 0.974 509 E HN 0.648 nan 8.360 nan 0.000 0.489 510 E N 0.724 120.932 120.200 0.013 0.000 2.171 510 E HA -0.237 4.104 4.350 -0.014 0.000 0.197 510 E C 1.710 178.297 176.600 -0.022 0.000 0.997 510 E CA 1.413 57.819 56.400 0.010 0.000 0.810 510 E CB -0.301 29.433 29.700 0.056 0.000 0.738 510 E HN 0.514 nan 8.360 nan 0.000 0.467 511 Y N -0.339 119.964 120.300 0.006 0.000 2.333 511 Y HA -0.132 4.411 4.550 -0.013 0.000 0.290 511 Y C 1.830 177.707 175.900 -0.038 0.000 1.144 511 Y CA 0.746 58.840 58.100 -0.009 0.000 1.228 511 Y CB -0.609 37.847 38.460 -0.006 0.000 0.985 511 Y HN -0.058 nan 8.280 nan 0.000 0.542 512 I N 1.023 121.093 120.570 -0.833 0.000 2.423 512 I HA -0.259 3.903 4.170 -0.014 0.000 0.254 512 I C 1.634 177.495 176.117 -0.427 0.000 1.151 512 I CA 1.886 62.772 61.300 -0.691 0.000 1.421 512 I CB -0.429 37.075 38.000 -0.828 0.000 1.079 512 I HN 0.499 nan 8.210 nan 0.000 0.431 513 S N -2.033 113.521 115.700 -0.245 0.000 2.663 513 S HA 0.192 4.653 4.470 -0.014 0.000 0.243 513 S C 0.086 174.668 174.600 -0.030 0.000 1.009 513 S CA -0.503 57.630 58.200 -0.113 0.000 0.988 513 S CB 0.361 63.574 63.200 0.022 0.000 0.896 513 S HN 0.302 nan 8.310 nan 0.000 0.502 514 D N 0.759 121.150 120.400 -0.016 0.000 2.826 514 D HA 0.218 4.849 4.640 -0.014 0.000 0.239 514 D C 0.568 176.910 176.300 0.070 0.000 1.329 514 D CA -0.324 53.692 54.000 0.026 0.000 0.854 514 D CB -0.092 40.727 40.800 0.033 0.000 1.494 514 D HN 0.137 nan 8.370 nan 0.000 0.540 515 L N 0.747 122.013 121.223 0.071 0.000 2.261 515 L HA -0.124 4.208 4.340 -0.014 0.000 0.216 515 L C 1.318 178.236 176.870 0.080 0.000 1.114 515 L CA 0.985 55.893 54.840 0.113 0.000 0.777 515 L CB 0.047 42.165 42.059 0.097 0.000 0.910 515 L HN 0.342 nan 8.230 nan 0.000 0.440 516 D N -0.203 120.222 120.400 0.042 0.000 2.182 516 D HA -0.231 4.401 4.640 -0.014 0.000 0.201 516 D C 2.048 178.368 176.300 0.034 0.000 0.986 516 D CA 1.036 55.047 54.000 0.019 0.000 0.847 516 D CB -0.060 40.740 40.800 0.000 0.000 0.942 516 D HN 0.484 nan 8.370 nan 0.000 0.467 517 Q N -0.010 119.827 119.800 0.061 0.000 2.368 517 Q HA -0.075 4.256 4.340 -0.014 0.000 0.210 517 Q C 2.250 178.271 176.000 0.035 0.000 0.982 517 Q CA 0.251 56.092 55.803 0.063 0.000 0.884 517 Q CB -0.040 28.763 28.738 0.108 0.000 0.933 517 Q HN 0.394 nan 8.270 nan 0.000 0.460 518 L N -0.053 121.184 121.223 0.024 0.000 2.353 518 L HA -0.179 4.153 4.340 -0.014 0.000 0.220 518 L C 2.201 179.068 176.870 -0.005 0.000 1.133 518 L CA 0.787 55.607 54.840 -0.033 0.000 0.798 518 L CB -0.266 41.781 42.059 -0.020 0.000 0.922 518 L HN 0.188 nan 8.230 nan 0.000 0.445 519 R N 0.249 120.757 120.500 0.013 0.000 2.152 519 R HA -0.153 4.179 4.340 -0.014 0.000 0.232 519 R C 2.105 178.420 176.300 0.025 0.000 1.117 519 R CA 0.983 57.095 56.100 0.020 0.000 0.981 519 R CB -0.089 30.219 30.300 0.013 0.000 0.870 519 R HN 0.354 nan 8.270 nan 0.000 0.451 520 K N 0.524 120.938 120.400 0.024 0.000 2.281 520 K HA -0.130 4.181 4.320 -0.014 0.000 0.203 520 K C 1.731 178.392 176.600 0.101 0.000 1.046 520 K CA 0.935 57.251 56.287 0.047 0.000 0.938 520 K CB -0.093 32.437 32.500 0.049 0.000 0.737 520 K HN 0.222 nan 8.250 nan 0.000 0.458 521 L N 0.549 121.804 121.223 0.053 0.000 2.456 521 L HA -0.126 4.206 4.340 -0.014 0.000 0.224 521 L C 1.821 178.780 176.870 0.149 0.000 1.148 521 L CA 0.032 54.913 54.840 0.068 0.000 0.825 521 L CB -0.223 41.831 42.059 -0.009 0.000 0.937 521 L HN 0.136 nan 8.230 nan 0.000 0.450 522 L N -0.049 121.229 121.223 0.091 0.000 2.265 522 L HA -0.151 4.180 4.340 -0.014 0.000 0.215 522 L C 2.629 179.516 176.870 0.028 0.000 1.117 522 L CA 1.743 56.621 54.840 0.064 0.000 0.782 522 L CB -0.647 41.431 42.059 0.032 0.000 0.914 522 L HN 0.330 nan 8.230 nan 0.000 0.441 523 S N -2.863 112.825 115.700 -0.020 0.000 2.603 523 S HA -0.044 4.418 4.470 -0.014 0.000 0.220 523 S C 1.223 175.612 174.600 -0.351 0.000 0.967 523 S CA 0.135 58.218 58.200 -0.196 0.000 0.920 523 S CB -0.463 62.556 63.200 -0.302 0.000 0.773 523 S HN 0.447 nan 8.310 nan 0.000 0.529 524 Y N -0.097 120.147 120.300 -0.095 0.000 2.531 524 Y HA 0.438 4.986 4.550 -0.002 0.000 0.249 524 Y C 1.958 177.912 175.900 0.090 0.000 1.168 524 Y CA -0.623 57.423 58.100 -0.090 0.000 1.226 524 Y CB 0.051 38.252 38.460 -0.431 0.000 1.177 524 Y HN 0.242 nan 8.280 nan 0.000 0.527 525 V N 0.495 120.518 119.914 0.182 0.000 2.568 525 V HA -0.234 3.878 4.120 -0.014 0.000 0.253 525 V C 1.026 177.197 176.094 0.127 0.000 1.072 525 V CA 2.321 64.722 62.300 0.167 0.000 1.084 525 V CB -0.020 31.860 31.823 0.095 0.000 0.676 525 V HN 0.374 nan 8.190 nan 0.000 0.469 526 D N -0.879 119.573 120.400 0.087 0.000 2.398 526 D HA 0.099 4.730 4.640 -0.014 0.000 0.210 526 D C 0.455 176.802 176.300 0.078 0.000 1.094 526 D CA -0.023 54.015 54.000 0.063 0.000 0.839 526 D CB 0.109 40.922 40.800 0.022 0.000 0.963 526 D HN 0.474 nan 8.370 nan 0.000 0.506 527 D N 1.653 122.132 120.400 0.132 0.000 2.338 527 D HA -0.037 4.595 4.640 -0.014 0.000 0.255 527 D C 1.123 177.528 176.300 0.175 0.000 1.237 527 D CA 0.013 54.108 54.000 0.160 0.000 0.883 527 D CB 1.535 42.494 40.800 0.265 0.000 1.087 527 D HN -0.186 nan 8.370 nan 0.000 0.485 528 E N 3.335 123.602 120.200 0.112 0.000 2.118 528 E HA -0.173 4.169 4.350 -0.014 0.000 0.195 528 E C 1.739 178.399 176.600 0.099 0.000 0.992 528 E CA 1.462 57.915 56.400 0.088 0.000 0.804 528 E CB -0.035 29.699 29.700 0.057 0.000 0.741 528 E HN 0.614 nan 8.360 nan 0.000 0.458 529 A N -0.268 122.628 122.820 0.126 0.000 1.855 529 A HA -0.140 4.171 4.320 -0.014 0.000 0.215 529 A C 2.258 179.942 177.584 0.166 0.000 1.191 529 A CA 1.345 53.456 52.037 0.124 0.000 0.613 529 A CB -1.051 18.026 19.000 0.128 0.000 0.829 529 A HN 0.437 nan 8.150 nan 0.000 0.442 530 F N 0.518 120.499 119.950 0.050 0.000 2.095 530 F HA -0.211 4.308 4.527 -0.013 0.000 0.298 530 F C 2.099 177.914 175.800 0.024 0.000 1.104 530 F CA 1.772 59.789 58.000 0.027 0.000 1.232 530 F CB -0.136 38.900 39.000 0.061 0.000 0.987 530 F HN 0.174 nan 8.300 nan 0.000 0.475 531 I N 0.086 120.693 120.570 0.061 0.000 2.194 531 I HA -0.369 3.793 4.170 -0.014 0.000 0.246 531 I C 2.645 178.711 176.117 -0.084 0.000 1.093 531 I CA 1.522 62.795 61.300 -0.045 0.000 1.355 531 I CB -0.554 37.470 38.000 0.040 0.000 1.046 531 I HN 0.155 nan 8.210 nan 0.000 0.413 532 R N 0.753 121.232 120.500 -0.036 0.000 2.075 532 R HA -0.178 4.153 4.340 -0.014 0.000 0.232 532 R C 1.852 178.109 176.300 -0.072 0.000 1.126 532 R CA 1.810 57.887 56.100 -0.038 0.000 0.963 532 R CB -0.125 30.172 30.300 -0.004 0.000 0.858 532 R HN 0.331 nan 8.270 nan 0.000 0.435 533 D N -0.130 120.212 120.400 -0.096 0.000 2.117 533 D HA -0.117 4.515 4.640 -0.014 0.000 0.198 533 D C 1.981 178.167 176.300 -0.190 0.000 0.982 533 D CA 1.041 54.972 54.000 -0.115 0.000 0.828 533 D CB -0.159 40.597 40.800 -0.074 0.000 0.967 533 D HN 0.064 nan 8.370 nan 0.000 0.464 534 V N 1.710 121.415 119.914 -0.348 0.000 2.287 534 V HA -0.260 3.852 4.120 -0.014 0.000 0.248 534 V C 2.577 178.581 176.094 -0.151 0.000 1.053 534 V CA 1.968 64.074 62.300 -0.325 0.000 1.027 534 V CB -0.848 30.703 31.823 -0.452 0.000 0.646 534 V HN 0.185 nan 8.190 nan 0.000 0.447 535 A N -0.605 122.146 122.820 -0.116 0.000 1.972 535 A HA -0.245 4.066 4.320 -0.014 0.000 0.219 535 A C 2.356 179.905 177.584 -0.059 0.000 1.169 535 A CA 2.066 54.067 52.037 -0.060 0.000 0.635 535 A CB -0.452 18.517 19.000 -0.052 0.000 0.810 535 A HN 0.540 nan 8.150 nan 0.000 0.446 536 K N -0.268 120.093 120.400 -0.065 0.000 2.062 536 K HA -0.052 4.259 4.320 -0.014 0.000 0.205 536 K C 1.814 178.389 176.600 -0.041 0.000 1.051 536 K CA 1.405 57.663 56.287 -0.048 0.000 0.941 536 K CB -0.213 32.261 32.500 -0.042 0.000 0.719 536 K HN 0.225 nan 8.250 nan 0.000 0.440 537 V N 1.857 121.742 119.914 -0.048 0.000 2.295 537 V HA -0.247 3.865 4.120 -0.014 0.000 0.246 537 V C 2.383 178.464 176.094 -0.021 0.000 1.049 537 V CA 2.010 64.291 62.300 -0.032 0.000 1.024 537 V CB -0.463 31.335 31.823 -0.041 0.000 0.648 537 V HN 0.355 nan 8.190 nan 0.000 0.447 538 K N 0.536 120.921 120.400 -0.025 0.000 2.032 538 K HA -0.252 4.059 4.320 -0.014 0.000 0.209 538 K C 2.163 178.740 176.600 -0.038 0.000 1.048 538 K CA 1.984 58.263 56.287 -0.014 0.000 0.927 538 K CB -0.573 31.931 32.500 0.007 0.000 0.712 538 K HN 0.385 nan 8.250 nan 0.000 0.441 539 Q N 1.043 120.813 119.800 -0.049 0.000 2.084 539 Q HA -0.131 4.200 4.340 -0.014 0.000 0.202 539 Q C 1.644 177.625 176.000 -0.032 0.000 0.978 539 Q CA 2.070 57.836 55.803 -0.063 0.000 0.844 539 Q CB -0.123 28.580 28.738 -0.057 0.000 0.898 539 Q HN 0.564 nan 8.270 nan 0.000 0.426 540 E N -0.461 119.732 120.200 -0.012 0.000 2.072 540 E HA -0.141 4.200 4.350 -0.014 0.000 0.191 540 E C 1.769 178.392 176.600 0.037 0.000 0.985 540 E CA 0.940 57.346 56.400 0.011 0.000 0.801 540 E CB -0.124 29.581 29.700 0.009 0.000 0.750 540 E HN 0.405 nan 8.360 nan 0.000 0.452 541 N N 1.193 119.913 118.700 0.034 0.000 2.166 541 N HA -0.131 4.600 4.740 -0.014 0.000 0.186 541 N C 1.512 177.100 175.510 0.130 0.000 1.019 541 N CA 1.047 54.138 53.050 0.068 0.000 0.856 541 N CB -0.070 38.444 38.487 0.043 0.000 0.993 541 N HN 0.167 nan 8.380 nan 0.000 0.426 542 K N 0.560 120.999 120.400 0.066 0.000 2.097 542 K HA 0.043 4.354 4.320 -0.014 0.000 0.205 542 K C 2.103 178.827 176.600 0.207 0.000 1.050 542 K CA 0.578 56.920 56.287 0.092 0.000 0.938 542 K CB -0.118 32.181 32.500 -0.335 0.000 0.718 542 K HN 0.103 nan 8.250 nan 0.000 0.442 543 L N 1.219 122.508 121.223 0.109 0.000 2.046 543 L HA -0.182 4.150 4.340 -0.014 0.000 0.208 543 L C 2.609 179.568 176.870 0.149 0.000 1.077 543 L CA 1.264 56.173 54.840 0.115 0.000 0.747 543 L CB -0.286 41.811 42.059 0.063 0.000 0.896 543 L HN 0.163 nan 8.230 nan 0.000 0.432 544 K N -0.352 120.143 120.400 0.157 0.000 2.097 544 K HA -0.206 4.105 4.320 -0.014 0.000 0.205 544 K C 2.149 178.894 176.600 0.242 0.000 1.050 544 K CA 1.289 57.675 56.287 0.165 0.000 0.938 544 K CB -0.049 32.532 32.500 0.135 0.000 0.718 544 K HN 0.098 nan 8.250 nan 0.000 0.442 545 F N 1.075 121.122 119.950 0.160 0.000 2.234 545 F HA 0.077 4.595 4.527 -0.014 0.000 0.296 545 F C 1.944 177.895 175.800 0.251 0.000 1.089 545 F CA 0.969 59.089 58.000 0.200 0.000 1.343 545 F CB -0.359 38.769 39.000 0.213 0.000 1.040 545 F HN 0.046 nan 8.300 nan 0.000 0.498 546 A N 0.276 123.244 122.820 0.247 0.000 1.972 546 A HA -0.050 4.261 4.320 -0.014 0.000 0.219 546 A C 2.384 179.987 177.584 0.031 0.000 1.169 546 A CA 1.732 53.854 52.037 0.141 0.000 0.635 546 A CB -1.414 17.740 19.000 0.257 0.000 0.810 546 A HN 0.453 nan 8.150 nan 0.000 0.446 547 A N -1.380 121.479 122.820 0.064 0.000 1.872 547 A HA -0.044 4.267 4.320 -0.014 0.000 0.214 547 A C 2.138 179.726 177.584 0.007 0.000 1.187 547 A CA 1.490 53.548 52.037 0.035 0.000 0.614 547 A CB -0.895 18.144 19.000 0.064 0.000 0.826 547 A HN 0.748 nan 8.150 nan 0.000 0.442 548 Y N -0.075 120.164 120.300 -0.102 0.000 2.207 548 Y HA -0.170 4.372 4.550 -0.014 0.000 0.287 548 Y C 1.867 177.659 175.900 -0.179 0.000 1.156 548 Y CA 1.767 59.794 58.100 -0.122 0.000 1.182 548 Y CB -0.259 38.143 38.460 -0.098 0.000 0.979 548 Y HN 0.207 nan 8.280 nan 0.000 0.521 549 L N 0.601 121.701 121.223 -0.205 0.000 2.275 549 L HA -0.123 4.209 4.340 -0.014 0.000 0.215 549 L C 2.212 178.990 176.870 -0.153 0.000 1.119 549 L CA 1.949 56.643 54.840 -0.243 0.000 0.790 549 L CB -0.565 41.291 42.059 -0.339 0.000 0.919 549 L HN 0.409 nan 8.230 nan 0.000 0.443 550 E N -1.655 118.460 120.200 -0.141 0.000 2.251 550 E HA -0.073 4.269 4.350 -0.014 0.000 0.194 550 E C 2.232 178.750 176.600 -0.136 0.000 0.964 550 E CA -0.149 56.182 56.400 -0.115 0.000 0.868 550 E CB 0.113 29.750 29.700 -0.105 0.000 0.828 550 E HN 0.259 nan 8.360 nan 0.000 0.481 551 R N 0.730 121.128 120.500 -0.170 0.000 2.073 551 R HA -0.031 4.301 4.340 -0.014 0.000 0.229 551 R C -0.179 175.966 176.300 -0.257 0.000 1.120 551 R CA 0.939 56.933 56.100 -0.175 0.000 0.967 551 R CB 0.266 30.479 30.300 -0.145 0.000 0.862 551 R HN 0.035 nan 8.270 nan 0.000 0.436 552 E N -0.158 119.788 120.200 -0.424 0.000 2.176 552 E HA 0.142 4.483 4.350 -0.014 0.000 0.267 552 E C -0.793 175.583 176.600 -0.374 0.000 0.893 552 E CA -0.879 55.187 56.400 -0.556 0.000 0.761 552 E CB 1.091 30.254 29.700 -0.894 0.000 1.133 552 E HN 0.173 nan 8.360 nan 0.000 0.409 553 Y N 0.049 120.248 120.300 -0.168 0.000 4.928 553 Y HA -0.248 4.294 4.550 -0.014 0.000 0.272 553 Y C -0.013 175.842 175.900 -0.075 0.000 0.889 553 Y CA 0.310 58.351 58.100 -0.098 0.000 1.783 553 Y CB -1.677 36.726 38.460 -0.095 0.000 1.218 553 Y HN 0.510 nan 8.280 nan 0.000 0.500 554 K N -0.300 120.107 120.400 0.012 0.000 5.029 554 K HA -0.093 4.219 4.320 -0.014 0.000 0.303 554 K C 0.251 176.865 176.600 0.025 0.000 0.753 554 K CA 1.085 57.367 56.287 -0.007 0.000 0.889 554 K CB -1.330 31.169 32.500 -0.002 0.000 1.950 554 K HN 0.312 nan 8.250 nan 0.000 0.390 555 V N 0.581 120.497 119.914 0.004 0.000 3.707 555 V HA 0.436 4.548 4.120 -0.014 0.000 0.293 555 V C 0.545 176.675 176.094 0.059 0.000 1.307 555 V CA -0.673 61.648 62.300 0.035 0.000 0.971 555 V CB 1.545 33.378 31.823 0.017 0.000 1.263 555 V HN 0.707 nan 8.190 nan 0.000 0.473 556 H N 1.012 120.065 119.070 -0.029 0.000 3.385 556 H HA 0.360 4.907 4.556 -0.014 0.000 0.205 556 H C -0.671 174.647 175.328 -0.016 0.000 1.317 556 H CA -0.543 55.492 56.048 -0.022 0.000 1.289 556 H CB 0.143 29.890 29.762 -0.026 0.000 2.427 556 H HN 0.612 nan 8.280 nan 0.000 0.522 557 I N -1.415 119.256 120.570 0.170 0.000 2.764 557 I HA 0.358 4.519 4.170 -0.014 0.000 0.294 557 I C 0.357 176.587 176.117 0.187 0.000 1.045 557 I CA -0.759 60.617 61.300 0.127 0.000 1.340 557 I CB 0.989 39.021 38.000 0.053 0.000 1.436 557 I HN 0.134 nan 8.210 nan 0.000 0.567 558 N N 4.197 123.003 118.700 0.175 0.000 2.485 558 N HA 0.401 5.132 4.740 -0.014 0.000 0.243 558 N C -2.081 173.580 175.510 0.252 0.000 0.987 558 N CA -2.346 50.808 53.050 0.174 0.000 0.940 558 N CB 1.299 39.850 38.487 0.107 0.000 1.122 558 N HN 0.332 nan 8.380 nan 0.000 0.509 559 P HA -0.044 nan 4.420 nan 0.000 0.229 559 P C 0.177 177.466 177.300 -0.018 0.000 1.150 559 P CA 0.844 64.016 63.100 0.120 0.000 0.765 559 P CB 0.274 32.026 31.700 0.087 0.000 0.783 560 N N -1.373 117.352 118.700 0.042 0.000 2.392 560 N HA 0.008 4.739 4.740 -0.014 0.000 0.177 560 N C 0.719 176.263 175.510 0.058 0.000 1.066 560 N CA 0.362 53.424 53.050 0.021 0.000 0.895 560 N CB -0.104 38.405 38.487 0.037 0.000 0.988 560 N HN 0.217 nan 8.380 nan 0.000 0.457 561 S N 0.605 116.358 115.700 0.088 0.000 2.608 561 S HA 0.216 4.678 4.470 -0.014 0.000 0.261 561 S C 0.346 174.943 174.600 -0.004 0.000 1.314 561 S CA -0.727 57.516 58.200 0.073 0.000 0.992 561 S CB 1.056 64.319 63.200 0.105 0.000 0.935 561 S HN 0.228 nan 8.310 nan 0.000 0.564 562 L N 1.432 122.512 121.223 -0.238 0.000 2.331 562 L HA 0.411 4.743 4.340 -0.014 0.000 0.278 562 L C -0.895 175.971 176.870 -0.007 0.000 1.106 562 L CA -0.643 53.857 54.840 -0.567 0.000 0.824 562 L CB 0.016 41.405 42.059 -1.116 0.000 1.142 562 L HN 0.717 nan 8.230 nan 0.000 0.443 563 F N 4.145 123.962 119.950 -0.222 0.000 2.377 563 F HA 0.118 4.637 4.527 -0.013 0.000 0.360 563 F C 0.425 176.158 175.800 -0.112 0.000 1.147 563 F CA -0.830 57.109 58.000 -0.102 0.000 1.170 563 F CB 0.557 39.546 39.000 -0.019 0.000 1.339 563 F HN 0.518 nan 8.300 nan 0.000 0.552 564 D N 4.617 125.018 120.400 0.002 0.000 2.380 564 D HA 0.210 4.842 4.640 -0.014 0.000 0.230 564 D C -1.063 175.181 176.300 -0.093 0.000 1.154 564 D CA 0.164 54.122 54.000 -0.069 0.000 0.859 564 D CB 1.514 42.261 40.800 -0.088 0.000 1.045 564 D HN 0.262 nan 8.370 nan 0.000 0.495 565 V N 4.084 123.926 119.914 -0.119 0.000 2.656 565 V HA 0.471 4.583 4.120 -0.014 0.000 0.307 565 V C -1.445 174.510 176.094 -0.231 0.000 1.051 565 V CA -0.617 61.597 62.300 -0.143 0.000 0.893 565 V CB 1.988 33.780 31.823 -0.052 0.000 0.999 565 V HN 0.579 nan 8.190 nan 0.000 0.426 566 Q N 5.117 124.797 119.800 -0.200 0.000 2.397 566 Q HA 0.654 4.985 4.340 -0.014 0.000 0.260 566 Q C -1.684 174.165 176.000 -0.251 0.000 1.002 566 Q CA -0.595 55.078 55.803 -0.217 0.000 0.716 566 Q CB 1.877 30.514 28.738 -0.168 0.000 1.258 566 Q HN 0.955 nan 8.270 nan 0.000 0.477 567 V N 1.817 121.567 119.914 -0.273 0.000 2.487 567 V HA 0.879 4.991 4.120 -0.014 0.000 0.298 567 V C -0.878 174.952 176.094 -0.440 0.000 1.028 567 V CA -0.524 61.420 62.300 -0.594 0.000 0.860 567 V CB 1.317 32.529 31.823 -1.019 0.000 0.991 567 V HN 0.847 nan 8.190 nan 0.000 0.427 568 K N 2.483 122.670 120.400 -0.355 0.000 3.040 568 K HA 0.368 4.679 4.320 -0.014 0.000 0.300 568 K C -1.344 175.276 176.600 0.033 0.000 1.092 568 K CA -1.117 55.154 56.287 -0.027 0.000 0.831 568 K CB 0.876 33.349 32.500 -0.045 0.000 1.469 568 K HN 0.483 nan 8.250 nan 0.000 0.365 569 R N 0.958 121.529 120.500 0.119 0.000 2.640 569 R HA 0.168 4.499 4.340 -0.014 0.000 0.270 569 R C 0.383 176.721 176.300 0.063 0.000 1.024 569 R CA -0.336 55.843 56.100 0.133 0.000 1.085 569 R CB -0.212 30.206 30.300 0.196 0.000 0.963 569 R HN 0.456 nan 8.270 nan 0.000 0.426 570 I N 4.455 125.049 120.570 0.041 0.000 2.517 570 I HA 0.068 4.229 4.170 -0.014 0.000 0.285 570 I C 0.782 176.834 176.117 -0.107 0.000 1.106 570 I CA 0.682 61.953 61.300 -0.048 0.000 1.402 570 I CB -0.384 37.572 38.000 -0.072 0.000 1.399 570 I HN 0.287 nan 8.210 nan 0.000 0.535 571 H N 4.533 123.505 119.070 -0.162 0.000 3.012 571 H HA 0.245 4.793 4.556 -0.014 0.000 0.367 571 H C 0.413 175.621 175.328 -0.199 0.000 1.211 571 H CA -0.443 55.542 56.048 -0.105 0.000 1.139 571 H CB 2.046 31.680 29.762 -0.215 0.000 1.838 571 H HN 0.541 nan 8.280 nan 0.000 0.550 572 E N 1.463 121.765 120.200 0.169 0.000 2.150 572 E HA -0.181 4.160 4.350 -0.014 0.000 0.193 572 E C 1.286 177.627 176.600 -0.432 0.000 0.985 572 E CA 1.205 57.619 56.400 0.023 0.000 0.814 572 E CB 0.080 30.002 29.700 0.371 0.000 0.752 572 E HN 0.537 nan 8.360 nan 0.000 0.466 573 Y N 0.816 120.585 120.300 -0.886 0.000 2.439 573 Y HA 0.057 4.598 4.550 -0.014 0.000 0.292 573 Y C 1.471 177.074 175.900 -0.496 0.000 1.130 573 Y CA 0.665 58.015 58.100 -1.249 0.000 1.254 573 Y CB -0.038 37.740 38.460 -1.138 0.000 1.000 573 Y HN -0.218 nan 8.280 nan 0.000 0.554 574 K N 0.782 120.674 120.400 -0.845 0.000 2.418 574 K HA 0.085 4.397 4.320 -0.014 0.000 0.195 574 K C 0.116 176.534 176.600 -0.303 0.000 1.035 574 K CA 0.438 56.368 56.287 -0.595 0.000 1.003 574 K CB -0.021 32.136 32.500 -0.572 0.000 0.793 574 K HN 0.232 nan 8.250 nan 0.000 0.494 575 R N 0.622 120.971 120.500 -0.252 0.000 3.333 575 R HA -0.225 4.106 4.340 -0.014 0.000 0.256 575 R C 0.253 176.479 176.300 -0.124 0.000 1.010 575 R CA 0.131 56.143 56.100 -0.146 0.000 0.680 575 R CB -1.766 28.465 30.300 -0.114 0.000 1.102 575 R HN 0.270 nan 8.270 nan 0.000 0.440 576 Q N 0.354 120.081 119.800 -0.121 0.000 2.234 576 Q HA -0.050 4.282 4.340 -0.014 0.000 0.206 576 Q C 2.013 177.974 176.000 -0.066 0.000 0.980 576 Q CA 1.402 57.149 55.803 -0.093 0.000 0.869 576 Q CB 0.027 28.714 28.738 -0.085 0.000 0.912 576 Q HN 0.593 nan 8.270 nan 0.000 0.436 577 L N -0.602 120.584 121.223 -0.062 0.000 2.083 577 L HA -0.188 4.143 4.340 -0.014 0.000 0.209 577 L C 2.014 178.894 176.870 0.018 0.000 1.083 577 L CA 0.611 55.430 54.840 -0.035 0.000 0.752 577 L CB -0.396 41.651 42.059 -0.020 0.000 0.899 577 L HN 0.311 nan 8.230 nan 0.000 0.433 578 L N 0.214 121.442 121.223 0.009 0.000 2.083 578 L HA -0.213 4.118 4.340 -0.014 0.000 0.209 578 L C 2.254 179.206 176.870 0.137 0.000 1.083 578 L CA 1.702 56.570 54.840 0.046 0.000 0.752 578 L CB -0.893 41.089 42.059 -0.128 0.000 0.899 578 L HN 0.257 nan 8.230 nan 0.000 0.433 579 N N -0.584 118.159 118.700 0.072 0.000 2.120 579 N HA -0.201 4.530 4.740 -0.014 0.000 0.188 579 N C 1.896 177.500 175.510 0.158 0.000 1.024 579 N CA 1.824 54.989 53.050 0.192 0.000 0.852 579 N CB -0.601 37.924 38.487 0.063 0.000 1.003 579 N HN 0.506 nan 8.380 nan 0.000 0.424 580 C N 0.616 119.944 119.300 0.046 0.000 2.413 580 C HA -0.032 4.420 4.460 -0.014 0.000 0.276 580 C C 2.829 177.816 174.990 -0.005 0.000 1.248 580 C CA 0.294 59.290 59.018 -0.037 0.000 1.742 580 C CB -1.273 26.395 27.740 -0.121 0.000 2.017 580 C HN 0.471 nan 8.230 nan 0.000 0.481 581 L N -0.162 121.122 121.223 0.101 0.000 2.093 581 L HA -0.160 4.172 4.340 -0.014 0.000 0.208 581 L C 2.573 179.586 176.870 0.238 0.000 1.085 581 L CA 1.793 56.736 54.840 0.173 0.000 0.755 581 L CB -0.900 41.338 42.059 0.298 0.000 0.904 581 L HN 0.491 nan 8.230 nan 0.000 0.435 582 H N 0.022 119.183 119.070 0.152 0.000 2.299 582 H HA -0.133 4.415 4.556 -0.014 0.000 0.302 582 H C 2.115 177.421 175.328 -0.037 0.000 1.078 582 H CA 1.912 57.958 56.048 -0.003 0.000 1.323 582 H CB -0.239 29.433 29.762 -0.150 0.000 1.381 582 H HN -0.039 nan 8.280 nan 0.000 0.498 583 V N 0.917 120.737 119.914 -0.157 0.000 2.324 583 V HA -0.292 3.820 4.120 -0.014 0.000 0.250 583 V C 2.675 178.686 176.094 -0.138 0.000 1.060 583 V CA 2.170 64.344 62.300 -0.210 0.000 1.042 583 V CB -0.618 31.136 31.823 -0.115 0.000 0.650 583 V HN 0.469 nan 8.190 nan 0.000 0.450 584 I N -0.293 120.230 120.570 -0.078 0.000 2.315 584 I HA -0.205 3.956 4.170 -0.014 0.000 0.248 584 I C 2.499 178.649 176.117 0.054 0.000 1.117 584 I CA 1.667 62.979 61.300 0.021 0.000 1.404 584 I CB -0.639 37.343 38.000 -0.030 0.000 1.071 584 I HN 0.330 nan 8.210 nan 0.000 0.419 585 T N 1.207 115.756 114.554 -0.010 0.000 2.708 585 T HA -0.158 4.184 4.350 -0.014 0.000 0.266 585 T C 1.890 176.531 174.700 -0.099 0.000 1.037 585 T CA 1.185 63.274 62.100 -0.017 0.000 1.146 585 T CB -0.265 68.614 68.868 0.019 0.000 0.865 585 T HN 0.087 nan 8.240 nan 0.000 0.435 586 L N 0.200 121.294 121.223 -0.214 0.000 2.012 586 L HA -0.048 4.283 4.340 -0.014 0.000 0.210 586 L C 2.147 178.966 176.870 -0.085 0.000 1.073 586 L CA 1.629 56.339 54.840 -0.216 0.000 0.748 586 L CB -0.972 40.883 42.059 -0.341 0.000 0.891 586 L HN 0.323 nan 8.230 nan 0.000 0.431 587 Y N 0.407 120.629 120.300 -0.130 0.000 2.145 587 Y HA -0.267 4.274 4.550 -0.014 0.000 0.286 587 Y C 2.439 178.306 175.900 -0.054 0.000 1.145 587 Y CA 1.917 59.980 58.100 -0.063 0.000 1.148 587 Y CB -0.394 38.069 38.460 0.005 0.000 0.981 587 Y HN 0.295 nan 8.280 nan 0.000 0.507 588 N N 0.428 119.036 118.700 -0.154 0.000 2.223 588 N HA -0.142 4.589 4.740 -0.014 0.000 0.185 588 N C 1.869 177.247 175.510 -0.219 0.000 1.016 588 N CA 1.441 54.343 53.050 -0.247 0.000 0.863 588 N CB -0.351 38.065 38.487 -0.118 0.000 0.983 588 N HN 0.463 nan 8.380 nan 0.000 0.429 589 R N 0.292 120.695 120.500 -0.162 0.000 2.115 589 R HA 0.116 4.448 4.340 -0.014 0.000 0.226 589 R C 2.150 178.360 176.300 -0.151 0.000 1.100 589 R CA 0.592 56.611 56.100 -0.136 0.000 0.980 589 R CB -0.128 30.104 30.300 -0.113 0.000 0.875 589 R HN 0.240 nan 8.270 nan 0.000 0.445 590 I N 0.867 121.326 120.570 -0.185 0.000 2.252 590 I HA -0.235 3.927 4.170 -0.014 0.000 0.245 590 I C 1.911 177.914 176.117 -0.191 0.000 1.102 590 I CA 1.111 62.309 61.300 -0.171 0.000 1.385 590 I CB -0.103 37.803 38.000 -0.155 0.000 1.064 590 I HN -0.012 nan 8.210 nan 0.000 0.414 591 K N 0.777 120.999 120.400 -0.297 0.000 2.283 591 K HA -0.161 4.150 4.320 -0.014 0.000 0.202 591 K C 1.936 178.438 176.600 -0.163 0.000 1.048 591 K CA 0.946 57.079 56.287 -0.257 0.000 0.948 591 K CB -0.228 32.043 32.500 -0.382 0.000 0.742 591 K HN 0.145 nan 8.250 nan 0.000 0.458 592 K N 1.593 121.900 120.400 -0.155 0.000 2.007 592 K HA -0.075 4.237 4.320 -0.014 0.000 0.206 592 K C 0.091 176.643 176.600 -0.080 0.000 1.047 592 K CA 1.280 57.503 56.287 -0.106 0.000 0.937 592 K CB 0.322 32.762 32.500 -0.100 0.000 0.718 592 K HN 0.052 nan 8.250 nan 0.000 0.438 593 E N -0.199 119.953 120.200 -0.080 0.000 2.873 593 E HA 0.155 4.496 4.350 -0.014 0.000 0.232 593 E C -2.313 174.254 176.600 -0.056 0.000 1.123 593 E CA -1.606 54.760 56.400 -0.056 0.000 0.809 593 E CB 1.659 31.332 29.700 -0.044 0.000 1.366 593 E HN 0.093 nan 8.360 nan 0.000 0.400 594 P HA -0.172 nan 4.420 nan 0.000 0.216 594 P C 0.649 177.935 177.300 -0.023 0.000 1.150 594 P CA 1.048 64.120 63.100 -0.047 0.000 0.843 594 P CB 0.262 31.939 31.700 -0.040 0.000 0.787 595 N N -0.822 117.871 118.700 -0.010 0.000 2.383 595 N HA -0.012 4.720 4.740 -0.014 0.000 0.192 595 N C 0.608 176.137 175.510 0.032 0.000 1.141 595 N CA 0.259 53.316 53.050 0.012 0.000 0.851 595 N CB 0.087 38.580 38.487 0.010 0.000 0.976 595 N HN 0.306 nan 8.380 nan 0.000 0.465 596 K N 0.663 121.074 120.400 0.018 0.000 2.185 596 K HA 0.102 4.413 4.320 -0.014 0.000 0.271 596 K C -0.710 175.934 176.600 0.072 0.000 1.013 596 K CA -0.481 55.831 56.287 0.041 0.000 0.943 596 K CB 0.722 33.224 32.500 0.003 0.000 0.998 596 K HN -0.208 nan 8.250 nan 0.000 0.468 597 F N 4.500 124.436 119.950 -0.024 0.000 2.384 597 F HA 0.349 4.867 4.527 -0.014 0.000 0.338 597 F C -0.685 175.100 175.800 -0.024 0.000 1.103 597 F CA -0.262 57.725 58.000 -0.021 0.000 1.157 597 F CB 0.968 39.958 39.000 -0.017 0.000 1.167 597 F HN 0.235 nan 8.300 nan 0.000 0.529 598 V N 3.779 123.068 119.914 -1.042 0.000 2.888 598 V HA 0.518 4.629 4.120 -0.014 0.000 0.309 598 V C -0.994 174.515 176.094 -0.975 0.000 1.114 598 V CA -1.198 60.657 62.300 -0.740 0.000 0.940 598 V CB 0.878 32.478 31.823 -0.371 0.000 1.021 598 V HN 0.595 nan 8.190 nan 0.000 0.426 599 V N 5.905 125.496 119.914 -0.539 0.000 2.493 599 V HA 0.194 4.305 4.120 -0.014 0.000 0.292 599 V C -1.437 174.502 176.094 -0.258 0.000 1.016 599 V CA -0.346 61.776 62.300 -0.297 0.000 1.097 599 V CB 0.447 32.216 31.823 -0.090 0.000 0.947 599 V HN 0.944 nan 8.190 nan 0.000 0.479 600 P HA 0.289 nan 4.420 nan 0.000 0.271 600 P C -0.566 176.661 177.300 -0.122 0.000 1.218 600 P CA -0.196 62.823 63.100 -0.134 0.000 0.780 600 P CB 0.951 32.615 31.700 -0.060 0.000 0.901 601 R N 0.669 121.106 120.500 -0.105 0.000 2.771 601 R HA 0.582 4.914 4.340 -0.014 0.000 0.274 601 R C -0.663 175.607 176.300 -0.049 0.000 0.987 601 R CA -0.699 55.343 56.100 -0.096 0.000 0.908 601 R CB 2.073 32.297 30.300 -0.127 0.000 1.213 601 R HN 0.334 nan 8.270 nan 0.000 0.468 602 T N 1.646 116.184 114.554 -0.026 0.000 2.864 602 T HA 0.243 4.584 4.350 -0.014 0.000 0.310 602 T C -0.543 174.080 174.700 -0.128 0.000 1.040 602 T CA -0.453 61.595 62.100 -0.087 0.000 0.977 602 T CB 1.134 69.897 68.868 -0.174 0.000 0.976 602 T HN 0.135 nan 8.240 nan 0.000 0.459 603 V N 5.917 125.765 119.914 -0.110 0.000 2.385 603 V HA 0.421 4.532 4.120 -0.014 0.000 0.269 603 V C 0.078 176.104 176.094 -0.114 0.000 1.043 603 V CA -0.304 61.936 62.300 -0.100 0.000 0.906 603 V CB 0.738 32.518 31.823 -0.072 0.000 0.995 603 V HN 0.844 nan 8.190 nan 0.000 0.467 604 M N 6.755 126.277 119.600 -0.131 0.000 2.181 604 M HA 0.591 5.063 4.480 -0.014 0.000 0.323 604 M C -0.991 175.216 176.300 -0.156 0.000 1.004 604 M CA -0.125 55.091 55.300 -0.140 0.000 0.941 604 M CB 1.845 34.355 32.600 -0.149 0.000 1.579 604 M HN 0.424 nan 8.290 nan 0.000 0.427 605 I N 2.059 122.528 120.570 -0.169 0.000 2.465 605 I HA 0.827 4.988 4.170 -0.014 0.000 0.291 605 I C 0.156 175.996 176.117 -0.462 0.000 1.014 605 I CA -0.644 60.535 61.300 -0.200 0.000 1.093 605 I CB 2.227 40.199 38.000 -0.046 0.000 1.267 605 I HN 0.781 nan 8.210 nan 0.000 0.431 606 G N 2.990 111.476 108.800 -0.524 0.000 2.690 606 G HA2 0.823 4.774 3.960 -0.014 0.000 0.293 606 G HA3 0.823 4.774 3.960 -0.014 0.000 0.293 606 G C -1.017 173.607 174.900 -0.460 0.000 1.399 606 G CA -0.738 43.900 45.100 -0.771 0.000 0.890 606 G HN 0.986 nan 8.290 nan 0.000 0.485 607 G N -0.358 108.313 108.800 -0.214 0.000 2.352 607 G HA2 0.413 4.365 3.960 -0.014 0.000 0.305 607 G HA3 0.413 4.365 3.960 -0.014 0.000 0.305 607 G C -1.288 173.749 174.900 0.228 0.000 1.537 607 G CA -1.025 44.120 45.100 0.075 0.000 0.959 607 G HN 0.612 nan 8.290 nan 0.000 0.668 608 K N -0.222 120.308 120.400 0.218 0.000 2.098 608 K HA 0.779 5.090 4.320 -0.014 0.000 0.258 608 K C 0.163 176.894 176.600 0.220 0.000 0.973 608 K CA -0.246 56.185 56.287 0.241 0.000 0.898 608 K CB 2.092 34.650 32.500 0.097 0.000 1.057 608 K HN 0.891 nan 8.250 nan 0.000 0.447 609 A N 1.239 124.218 122.820 0.266 0.000 2.330 609 A HA 0.658 4.969 4.320 -0.014 0.000 0.327 609 A C -0.562 177.179 177.584 0.262 0.000 1.155 609 A CA -0.763 51.362 52.037 0.147 0.000 0.803 609 A CB 1.149 20.153 19.000 0.007 0.000 1.208 609 A HN 0.765 nan 8.150 nan 0.000 0.477 610 A N 3.492 126.447 122.820 0.225 0.000 2.511 610 A HA 0.480 4.792 4.320 -0.014 0.000 0.242 610 A C -1.389 176.268 177.584 0.121 0.000 1.069 610 A CA -0.811 51.367 52.037 0.234 0.000 0.763 610 A CB -0.376 18.730 19.000 0.176 0.000 1.001 610 A HN 0.601 nan 8.150 nan 0.000 0.498 611 P HA -0.168 nan 4.420 nan 0.000 0.217 611 P C 1.254 178.541 177.300 -0.023 0.000 1.151 611 P CA 2.102 65.143 63.100 -0.098 0.000 0.849 611 P CB 0.216 31.808 31.700 -0.180 0.000 0.787 612 G N -3.203 105.605 108.800 0.014 0.000 3.337 612 G HA2 -0.051 3.900 3.960 -0.014 0.000 0.246 612 G HA3 -0.051 3.900 3.960 -0.014 0.000 0.246 612 G C -0.289 174.640 174.900 0.048 0.000 1.131 612 G CA -0.112 44.999 45.100 0.019 0.000 0.773 612 G HN 0.309 nan 8.290 nan 0.000 0.544 613 Y N 1.498 121.733 120.300 -0.108 0.000 2.802 613 Y HA 0.224 4.766 4.550 -0.014 0.000 0.330 613 Y C 1.726 177.600 175.900 -0.044 0.000 1.193 613 Y CA -1.154 56.860 58.100 -0.143 0.000 1.427 613 Y CB 0.221 38.549 38.460 -0.220 0.000 1.357 613 Y HN 0.348 nan 8.280 nan 0.000 0.501 614 H N 3.314 122.484 119.070 0.167 0.000 2.265 614 H HA -0.308 4.240 4.556 -0.014 0.000 0.293 614 H C 1.986 177.332 175.328 0.029 0.000 1.089 614 H CA 2.967 59.063 56.048 0.080 0.000 1.244 614 H CB 0.156 29.962 29.762 0.073 0.000 1.355 614 H HN 0.698 nan 8.280 nan 0.000 0.485 615 M N 0.309 119.863 119.600 -0.077 0.000 2.149 615 M HA -0.076 4.395 4.480 -0.014 0.000 0.261 615 M C 2.363 178.405 176.300 -0.431 0.000 1.064 615 M CA 1.917 57.088 55.300 -0.215 0.000 1.102 615 M CB -0.804 31.825 32.600 0.049 0.000 1.369 615 M HN 0.423 nan 8.290 nan 0.000 0.408 616 A N -0.407 121.924 122.820 -0.815 0.000 1.969 616 A HA -0.131 4.181 4.320 -0.014 0.000 0.218 616 A C 2.072 179.436 177.584 -0.367 0.000 1.169 616 A CA 1.415 52.991 52.037 -0.767 0.000 0.635 616 A CB -0.535 17.780 19.000 -1.142 0.000 0.810 616 A HN 0.448 nan 8.150 nan 0.000 0.445 617 K N -0.726 119.515 120.400 -0.265 0.000 2.155 617 K HA 0.008 4.319 4.320 -0.014 0.000 0.203 617 K C 1.847 178.383 176.600 -0.106 0.000 1.052 617 K CA 0.916 57.139 56.287 -0.106 0.000 0.948 617 K CB -0.395 32.112 32.500 0.011 0.000 0.728 617 K HN 0.400 nan 8.250 nan 0.000 0.448 618 M N 0.604 120.092 119.600 -0.187 0.000 2.175 618 M HA -0.022 4.449 4.480 -0.014 0.000 0.264 618 M C 2.289 178.516 176.300 -0.122 0.000 1.063 618 M CA 1.168 56.396 55.300 -0.121 0.000 1.119 618 M CB -0.768 31.746 32.600 -0.144 0.000 1.377 618 M HN 0.038 nan 8.290 nan 0.000 0.415 619 I N -0.109 120.354 120.570 -0.177 0.000 2.286 619 I HA -0.303 3.858 4.170 -0.014 0.000 0.248 619 I C 2.309 178.290 176.117 -0.225 0.000 1.115 619 I CA 1.103 62.293 61.300 -0.184 0.000 1.392 619 I CB -0.304 37.586 38.000 -0.184 0.000 1.065 619 I HN 0.185 nan 8.210 nan 0.000 0.418 620 I N 0.670 121.080 120.570 -0.268 0.000 2.226 620 I HA -0.287 3.874 4.170 -0.014 0.000 0.245 620 I C 2.588 178.402 176.117 -0.504 0.000 1.100 620 I CA 1.195 62.231 61.300 -0.440 0.000 1.374 620 I CB -0.296 37.426 38.000 -0.463 0.000 1.057 620 I HN 0.146 nan 8.210 nan 0.000 0.413 621 K N 1.408 121.531 120.400 -0.461 0.000 2.147 621 K HA -0.154 4.157 4.320 -0.014 0.000 0.205 621 K C 2.011 178.442 176.600 -0.282 0.000 1.049 621 K CA 1.386 57.320 56.287 -0.589 0.000 0.936 621 K CB -0.485 31.368 32.500 -1.079 0.000 0.722 621 K HN 0.203 nan 8.250 nan 0.000 0.446 622 L N 0.532 121.638 121.223 -0.194 0.000 2.093 622 L HA -0.064 4.268 4.340 -0.014 0.000 0.208 622 L C 1.984 178.631 176.870 -0.371 0.000 1.085 622 L CA 1.565 56.165 54.840 -0.400 0.000 0.755 622 L CB -0.413 41.314 42.059 -0.553 0.000 0.904 622 L HN 0.262 nan 8.230 nan 0.000 0.435 623 I N 0.219 120.612 120.570 -0.296 0.000 2.179 623 I HA -0.303 3.859 4.170 -0.014 0.000 0.242 623 I C 2.593 178.601 176.117 -0.182 0.000 1.088 623 I CA 1.795 62.966 61.300 -0.214 0.000 1.357 623 I CB -0.619 37.320 38.000 -0.101 0.000 1.051 623 I HN 0.366 nan 8.210 nan 0.000 0.409 624 T N -0.677 113.738 114.554 -0.232 0.000 2.867 624 T HA -0.063 4.279 4.350 -0.014 0.000 0.268 624 T C 1.975 176.611 174.700 -0.107 0.000 1.057 624 T CA 0.946 62.948 62.100 -0.164 0.000 1.136 624 T CB -0.432 68.294 68.868 -0.237 0.000 0.874 624 T HN 0.341 nan 8.240 nan 0.000 0.466 625 A N 1.446 124.196 122.820 -0.116 0.000 1.930 625 A HA 0.175 4.486 4.320 -0.014 0.000 0.217 625 A C 2.367 179.966 177.584 0.026 0.000 1.175 625 A CA 1.136 53.172 52.037 -0.002 0.000 0.627 625 A CB -0.764 18.311 19.000 0.126 0.000 0.815 625 A HN 0.590 nan 8.150 nan 0.000 0.443 626 I N -0.380 120.104 120.570 -0.143 0.000 2.315 626 I HA -0.166 3.995 4.170 -0.014 0.000 0.248 626 I C 2.668 178.753 176.117 -0.054 0.000 1.117 626 I CA 1.026 62.218 61.300 -0.181 0.000 1.404 626 I CB -0.551 37.213 38.000 -0.393 0.000 1.071 626 I HN 0.392 nan 8.210 nan 0.000 0.419 627 G N 0.451 109.217 108.800 -0.057 0.000 2.422 627 G HA2 -0.240 3.711 3.960 -0.014 0.000 0.218 627 G HA3 -0.240 3.711 3.960 -0.014 0.000 0.218 627 G C 1.228 176.163 174.900 0.059 0.000 1.146 627 G CA 0.838 45.927 45.100 -0.019 0.000 0.769 627 G HN 0.277 nan 8.290 nan 0.000 0.547 628 D N 0.034 120.483 120.400 0.081 0.000 2.144 628 D HA -0.070 4.561 4.640 -0.014 0.000 0.199 628 D C 2.696 179.091 176.300 0.158 0.000 0.984 628 D CA 0.588 54.667 54.000 0.131 0.000 0.834 628 D CB -0.157 40.665 40.800 0.036 0.000 0.955 628 D HN 0.245 nan 8.370 nan 0.000 0.465 629 V N 0.143 120.115 119.914 0.097 0.000 2.331 629 V HA -0.132 3.980 4.120 -0.014 0.000 0.242 629 V C 2.582 178.653 176.094 -0.038 0.000 1.034 629 V CA 0.746 63.062 62.300 0.027 0.000 1.027 629 V CB -0.265 31.581 31.823 0.039 0.000 0.667 629 V HN 0.023 nan 8.190 nan 0.000 0.457 630 V N 0.981 120.805 119.914 -0.151 0.000 2.295 630 V HA -0.214 3.898 4.120 -0.014 0.000 0.246 630 V C 2.117 178.173 176.094 -0.062 0.000 1.049 630 V CA 2.031 64.206 62.300 -0.208 0.000 1.024 630 V CB -0.880 30.807 31.823 -0.226 0.000 0.648 630 V HN 0.577 nan 8.190 nan 0.000 0.447 631 N N -0.274 118.378 118.700 -0.079 0.000 2.573 631 N HA -0.098 4.634 4.740 -0.014 0.000 0.187 631 N C 1.057 176.297 175.510 -0.449 0.000 1.107 631 N CA 0.894 53.801 53.050 -0.239 0.000 0.918 631 N CB -0.239 38.070 38.487 -0.297 0.000 0.966 631 N HN 0.682 nan 8.380 nan 0.000 0.448 632 H N -1.527 117.534 119.070 -0.015 0.000 2.785 632 H HA 0.196 4.743 4.556 -0.014 0.000 0.268 632 H C -0.553 174.783 175.328 0.013 0.000 1.153 632 H CA -0.530 55.514 56.048 -0.007 0.000 1.111 632 H CB 0.597 30.351 29.762 -0.012 0.000 1.633 632 H HN -0.012 nan 8.280 nan 0.000 0.576 633 D N 2.740 123.206 120.400 0.110 0.000 2.365 633 D HA 0.027 4.658 4.640 -0.014 0.000 0.237 633 D C -1.360 174.990 176.300 0.082 0.000 1.190 633 D CA -2.021 52.058 54.000 0.133 0.000 0.867 633 D CB 1.621 42.577 40.800 0.261 0.000 1.050 633 D HN 0.153 nan 8.370 nan 0.000 0.491 634 P HA -0.172 nan 4.420 nan 0.000 0.217 634 P C 1.563 178.878 177.300 0.024 0.000 1.148 634 P CA 0.578 63.696 63.100 0.030 0.000 0.828 634 P CB 0.450 32.166 31.700 0.027 0.000 0.783 635 V N 0.075 120.009 119.914 0.034 0.000 2.490 635 V HA -0.169 3.943 4.120 -0.014 0.000 0.250 635 V C 2.836 178.937 176.094 0.012 0.000 1.061 635 V CA 1.525 63.834 62.300 0.015 0.000 1.064 635 V CB -1.018 30.807 31.823 0.003 0.000 0.670 635 V HN -0.031 nan 8.190 nan 0.000 0.461 636 V N -0.203 119.735 119.914 0.041 0.000 2.453 636 V HA 0.137 4.248 4.120 -0.014 0.000 0.247 636 V C 1.756 177.852 176.094 0.003 0.000 1.048 636 V CA 1.348 63.671 62.300 0.038 0.000 1.049 636 V CB -1.308 30.584 31.823 0.115 0.000 0.672 636 V HN 0.733 nan 8.190 nan 0.000 0.457 637 G N 1.768 110.565 108.800 -0.005 0.000 2.566 637 G HA2 -0.347 3.605 3.960 -0.014 0.000 0.280 637 G HA3 -0.347 3.605 3.960 -0.014 0.000 0.280 637 G C 0.117 174.988 174.900 -0.048 0.000 1.225 637 G CA 0.380 45.464 45.100 -0.027 0.000 0.966 637 G HN 0.716 nan 8.290 nan 0.000 0.560 638 D N 0.131 120.503 120.400 -0.047 0.000 2.722 638 D HA 0.310 4.941 4.640 -0.014 0.000 0.239 638 D C 1.552 177.831 176.300 -0.036 0.000 1.249 638 D CA -0.157 53.812 54.000 -0.052 0.000 0.830 638 D CB 0.056 40.828 40.800 -0.046 0.000 1.025 638 D HN 0.583 nan 8.370 nan 0.000 0.486 639 R N -0.812 119.662 120.500 -0.044 0.000 2.254 639 R HA 0.313 4.644 4.340 -0.014 0.000 0.195 639 R C -0.146 176.111 176.300 -0.072 0.000 0.957 639 R CA 0.015 56.074 56.100 -0.068 0.000 1.024 639 R CB 0.492 30.739 30.300 -0.088 0.000 0.952 639 R HN 0.115 nan 8.270 nan 0.000 0.484 640 L N 0.519 121.712 121.223 -0.050 0.000 2.543 640 L HA 0.436 4.767 4.340 -0.014 0.000 0.265 640 L C -1.768 175.070 176.870 -0.052 0.000 0.945 640 L CA -0.564 54.246 54.840 -0.050 0.000 0.869 640 L CB 1.805 43.847 42.059 -0.028 0.000 1.294 640 L HN -0.163 nan 8.230 nan 0.000 0.405 641 R N 3.765 124.226 120.500 -0.065 0.000 2.621 641 R HA 0.738 5.069 4.340 -0.014 0.000 0.284 641 R C -1.634 174.618 176.300 -0.080 0.000 0.998 641 R CA -0.767 55.288 56.100 -0.076 0.000 0.895 641 R CB 2.367 32.622 30.300 -0.076 0.000 1.195 641 R HN 0.390 nan 8.270 nan 0.000 0.450 642 V N 5.140 125.008 119.914 -0.075 0.000 2.326 642 V HA 0.414 4.526 4.120 -0.014 0.000 0.281 642 V C 0.004 176.072 176.094 -0.044 0.000 1.015 642 V CA -0.664 61.596 62.300 -0.067 0.000 0.823 642 V CB 1.411 33.189 31.823 -0.074 0.000 1.009 642 V HN 0.468 nan 8.190 nan 0.000 0.436 643 I N 4.826 125.368 120.570 -0.048 0.000 2.404 643 I HA 0.425 4.587 4.170 -0.014 0.000 0.293 643 I C -0.477 175.639 176.117 -0.002 0.000 0.992 643 I CA -0.650 60.633 61.300 -0.027 0.000 1.149 643 I CB 1.649 39.610 38.000 -0.064 0.000 1.315 643 I HN 0.506 nan 8.210 nan 0.000 0.446 644 F N 6.860 126.755 119.950 -0.092 0.000 2.385 644 F HA 0.406 4.925 4.527 -0.014 0.000 0.360 644 F C -0.430 175.312 175.800 -0.096 0.000 1.122 644 F CA -0.745 57.199 58.000 -0.094 0.000 1.090 644 F CB 0.799 39.742 39.000 -0.095 0.000 1.150 644 F HN 0.138 nan 8.300 nan 0.000 0.472 645 L N 5.842 126.652 121.223 -0.688 0.000 2.325 645 L HA 0.199 4.531 4.340 -0.014 0.000 0.284 645 L C 0.456 177.025 176.870 -0.502 0.000 1.089 645 L CA 0.152 54.730 54.840 -0.436 0.000 0.836 645 L CB 0.052 41.971 42.059 -0.233 0.000 1.184 645 L HN 0.679 nan 8.230 nan 0.000 0.444 646 E N 3.651 123.680 120.200 -0.285 0.000 2.398 646 E HA -0.031 4.310 4.350 -0.014 0.000 0.263 646 E C 0.660 177.290 176.600 0.050 0.000 1.046 646 E CA 0.061 56.416 56.400 -0.075 0.000 0.908 646 E CB 0.257 29.825 29.700 -0.221 0.000 0.963 646 E HN 0.572 nan 8.360 nan 0.000 0.431 647 N N 2.800 121.599 118.700 0.165 0.000 2.714 647 N HA -0.294 4.437 4.740 -0.014 0.000 0.252 647 N C -1.152 174.454 175.510 0.160 0.000 1.014 647 N CA -0.103 53.055 53.050 0.180 0.000 0.735 647 N CB -0.648 37.967 38.487 0.214 0.000 0.924 647 N HN 0.415 nan 8.380 nan 0.000 0.540 648 Y N 1.882 122.190 120.300 0.012 0.000 2.721 648 Y HA 0.043 4.584 4.550 -0.015 0.000 0.329 648 Y C 0.707 176.628 175.900 0.034 0.000 1.211 648 Y CA 0.570 58.668 58.100 -0.003 0.000 1.512 648 Y CB 0.345 38.772 38.460 -0.055 0.000 1.249 648 Y HN 0.282 nan 8.280 nan 0.000 0.549 649 R N 2.512 122.702 120.500 -0.516 0.000 2.781 649 R HA 0.502 4.834 4.340 -0.014 0.000 0.268 649 R C -0.250 175.726 176.300 -0.540 0.000 1.047 649 R CA -0.647 55.205 56.100 -0.414 0.000 0.925 649 R CB 0.384 30.628 30.300 -0.092 0.000 1.246 649 R HN 0.337 nan 8.270 nan 0.000 0.456 650 V N 1.021 120.648 119.914 -0.479 0.000 2.282 650 V HA -0.307 3.805 4.120 -0.014 0.000 0.249 650 V C 2.539 178.514 176.094 -0.199 0.000 1.057 650 V CA 2.849 64.928 62.300 -0.367 0.000 1.032 650 V CB -0.845 30.734 31.823 -0.406 0.000 0.645 650 V HN 0.938 nan 8.190 nan 0.000 0.447 651 S N -0.023 115.581 115.700 -0.161 0.000 2.402 651 S HA -0.155 4.307 4.470 -0.014 0.000 0.229 651 S C 1.897 176.450 174.600 -0.078 0.000 1.021 651 S CA 1.562 59.694 58.200 -0.112 0.000 0.974 651 S CB -0.493 62.666 63.200 -0.068 0.000 0.800 651 S HN 0.401 nan 8.310 nan 0.000 0.484 652 L N 1.785 122.971 121.223 -0.062 0.000 2.179 652 L HA 0.363 4.695 4.340 -0.014 0.000 0.208 652 L C 2.581 179.478 176.870 0.046 0.000 1.096 652 L CA 1.245 56.101 54.840 0.026 0.000 0.779 652 L CB -1.165 40.967 42.059 0.123 0.000 0.922 652 L HN 0.350 nan 8.230 nan 0.000 0.443 653 A N -0.761 122.054 122.820 -0.008 0.000 1.930 653 A HA -0.194 4.118 4.320 -0.014 0.000 0.217 653 A C 2.123 179.769 177.584 0.103 0.000 1.175 653 A CA 1.590 53.694 52.037 0.112 0.000 0.627 653 A CB -0.528 18.514 19.000 0.070 0.000 0.815 653 A HN 0.569 nan 8.150 nan 0.000 0.443 654 E N -0.295 119.947 120.200 0.070 0.000 2.265 654 E HA -0.160 4.182 4.350 -0.014 0.000 0.196 654 E C 1.841 178.414 176.600 -0.045 0.000 0.996 654 E CA 1.171 57.573 56.400 0.003 0.000 0.832 654 E CB -0.038 29.574 29.700 -0.146 0.000 0.756 654 E HN 0.611 nan 8.360 nan 0.000 0.491 655 K N 0.002 120.361 120.400 -0.068 0.000 2.141 655 K HA 0.030 4.342 4.320 -0.014 0.000 0.202 655 K C 2.161 178.616 176.600 -0.241 0.000 1.045 655 K CA 0.425 56.661 56.287 -0.084 0.000 0.971 655 K CB 0.029 32.481 32.500 -0.080 0.000 0.795 655 K HN -0.040 nan 8.250 nan 0.000 0.459 656 V N 1.958 121.635 119.914 -0.395 0.000 2.488 656 V HA -0.125 3.987 4.120 -0.014 0.000 0.246 656 V C 1.907 177.765 176.094 -0.393 0.000 1.046 656 V CA 1.188 63.013 62.300 -0.791 0.000 1.053 656 V CB -0.165 31.291 31.823 -0.611 0.000 0.679 656 V HN 0.236 nan 8.190 nan 0.000 0.458 657 I N 0.685 121.086 120.570 -0.281 0.000 2.163 657 I HA -0.139 4.023 4.170 -0.014 0.000 0.243 657 I C -0.259 175.754 176.117 -0.173 0.000 1.085 657 I CA 1.676 62.751 61.300 -0.374 0.000 1.347 657 I CB -1.492 36.162 38.000 -0.578 0.000 1.044 657 I HN 0.371 nan 8.210 nan 0.000 0.408 658 P HA -0.099 nan 4.420 nan 0.000 0.225 658 P C 0.868 178.169 177.300 0.002 0.000 1.148 658 P CA 1.140 64.221 63.100 -0.032 0.000 0.779 658 P CB 0.060 31.750 31.700 -0.018 0.000 0.780 659 A N -1.305 121.503 122.820 -0.020 0.000 2.308 659 A HA 0.509 4.820 4.320 -0.014 0.000 0.217 659 A C 1.087 178.777 177.584 0.176 0.000 1.216 659 A CA 0.004 52.082 52.037 0.067 0.000 0.864 659 A CB -0.579 18.484 19.000 0.105 0.000 0.902 659 A HN 0.182 nan 8.150 nan 0.000 0.499 660 A N -0.243 122.679 122.820 0.170 0.000 2.340 660 A HA 0.503 4.814 4.320 -0.014 0.000 0.268 660 A C 0.331 178.060 177.584 0.242 0.000 1.100 660 A CA -0.224 51.974 52.037 0.268 0.000 0.803 660 A CB 0.408 19.642 19.000 0.390 0.000 1.043 660 A HN 0.253 nan 8.150 nan 0.000 0.488 661 D N 0.062 120.602 120.400 0.234 0.000 2.394 661 D HA 0.121 4.753 4.640 -0.014 0.000 0.226 661 D C -0.353 176.160 176.300 0.356 0.000 0.990 661 D CA 0.817 54.997 54.000 0.301 0.000 0.902 661 D CB 0.340 41.213 40.800 0.122 0.000 1.038 661 D HN 0.329 nan 8.370 nan 0.000 0.499 662 L N 0.595 121.912 121.223 0.157 0.000 2.381 662 L HA 0.351 4.682 4.340 -0.014 0.000 0.274 662 L C -0.804 175.953 176.870 -0.189 0.000 0.988 662 L CA -0.536 54.324 54.840 0.034 0.000 0.824 662 L CB 2.132 44.193 42.059 0.003 0.000 1.263 662 L HN -0.295 nan 8.230 nan 0.000 0.410 663 S N 4.012 119.508 115.700 -0.340 0.000 2.438 663 S HA 0.449 4.910 4.470 -0.014 0.000 0.293 663 S C -0.577 173.750 174.600 -0.455 0.000 1.141 663 S CA -0.608 57.139 58.200 -0.755 0.000 1.080 663 S CB 0.374 63.041 63.200 -0.888 0.000 0.978 663 S HN 0.615 nan 8.310 nan 0.000 0.479 664 E N 4.111 124.056 120.200 -0.426 0.000 2.089 664 E HA 0.213 4.554 4.350 -0.014 0.000 0.284 664 E C -0.581 175.907 176.600 -0.185 0.000 1.023 664 E CA -0.433 55.843 56.400 -0.208 0.000 0.819 664 E CB 1.027 30.637 29.700 -0.150 0.000 1.076 664 E HN 0.589 nan 8.360 nan 0.000 0.396 665 Q N 2.765 122.506 119.800 -0.097 0.000 2.907 665 Q HA 0.270 4.602 4.340 -0.014 0.000 0.262 665 Q C 0.546 176.525 176.000 -0.034 0.000 0.997 665 Q CA -0.141 55.617 55.803 -0.075 0.000 0.797 665 Q CB 0.274 28.981 28.738 -0.052 0.000 1.228 665 Q HN 0.610 nan 8.270 nan 0.000 0.466 666 I N -1.467 119.070 120.570 -0.056 0.000 3.637 666 I HA 0.294 4.455 4.170 -0.014 0.000 0.342 666 I C 0.379 176.435 176.117 -0.101 0.000 1.545 666 I CA -0.660 60.610 61.300 -0.049 0.000 1.126 666 I CB 0.295 38.261 38.000 -0.058 0.000 1.375 666 I HN 0.003 nan 8.210 nan 0.000 0.467 667 S N 0.296 115.938 115.700 -0.096 0.000 2.593 667 S HA 0.246 4.708 4.470 -0.014 0.000 0.269 667 S C 0.534 175.105 174.600 -0.048 0.000 1.334 667 S CA -0.312 57.847 58.200 -0.068 0.000 1.015 667 S CB 0.632 63.842 63.200 0.016 0.000 0.912 667 S HN 0.388 nan 8.310 nan 0.000 0.541 668 T N 2.621 117.177 114.554 0.004 0.000 2.888 668 T HA 0.404 4.746 4.350 -0.014 0.000 0.301 668 T C 0.722 175.424 174.700 0.003 0.000 1.001 668 T CA 0.230 62.342 62.100 0.019 0.000 1.147 668 T CB 0.050 68.999 68.868 0.135 0.000 0.931 668 T HN 1.004 nan 8.240 nan 0.000 0.541 669 A N 2.789 125.582 122.820 -0.045 0.000 2.580 669 A HA 0.432 4.744 4.320 -0.014 0.000 0.244 669 A C 1.651 179.223 177.584 -0.020 0.000 1.045 669 A CA 0.377 52.384 52.037 -0.049 0.000 0.761 669 A CB -0.921 18.039 19.000 -0.067 0.000 0.962 669 A HN 1.659 nan 8.150 nan 0.000 0.512 670 G N 1.413 110.200 108.800 -0.023 0.000 2.176 670 G HA2 -0.250 3.701 3.960 -0.014 0.000 0.232 670 G HA3 -0.250 3.701 3.960 -0.014 0.000 0.232 670 G C 0.942 175.822 174.900 -0.034 0.000 0.986 670 G CA 1.086 46.174 45.100 -0.020 0.000 0.643 670 G HN 1.987 nan 8.290 nan 0.000 0.522 671 T N -2.239 112.292 114.554 -0.040 0.000 3.042 671 T HA 0.391 4.733 4.350 -0.014 0.000 0.245 671 T C 0.804 175.339 174.700 -0.275 0.000 1.029 671 T CA 1.135 63.143 62.100 -0.155 0.000 1.120 671 T CB 0.486 69.301 68.868 -0.090 0.000 0.917 671 T HN 0.294 nan 8.240 nan 0.000 0.467 672 E N 1.533 121.702 120.200 -0.052 0.000 1.996 672 E HA 0.652 4.994 4.350 -0.014 0.000 0.280 672 E C 1.195 177.739 176.600 -0.094 0.000 1.092 672 E CA 0.069 56.482 56.400 0.022 0.000 0.862 672 E CB 0.696 30.471 29.700 0.124 0.000 1.066 672 E HN 0.344 nan 8.360 nan 0.000 0.396 673 A N 3.444 126.132 122.820 -0.220 0.000 1.903 673 A HA -0.252 4.060 4.320 -0.014 0.000 0.219 673 A C 1.980 179.429 177.584 -0.226 0.000 1.191 673 A CA 2.408 54.182 52.037 -0.439 0.000 0.638 673 A CB -0.291 18.230 19.000 -0.798 0.000 0.823 673 A HN 0.624 nan 8.150 nan 0.000 0.451 674 S N -4.225 111.405 115.700 -0.116 0.000 4.193 674 S HA 0.449 4.910 4.470 -0.014 0.000 0.211 674 S C 0.686 175.275 174.600 -0.018 0.000 1.162 674 S CA 1.362 59.540 58.200 -0.037 0.000 1.039 674 S CB -0.171 63.027 63.200 -0.003 0.000 1.371 674 S HN 2.346 nan 8.310 nan 0.000 0.550 675 G N 0.266 109.064 108.800 -0.003 0.000 2.705 675 G HA2 -0.010 3.942 3.960 -0.014 0.000 0.686 675 G HA3 -0.010 3.942 3.960 -0.014 0.000 0.686 675 G C 0.243 175.131 174.900 -0.019 0.000 1.285 675 G CA 0.443 45.541 45.100 -0.003 0.000 0.800 675 G HN 1.397 nan 8.290 nan 0.000 0.611 676 T N -2.203 112.327 114.554 -0.040 0.000 3.051 676 T HA 0.375 4.717 4.350 -0.014 0.000 0.254 676 T C 2.373 176.982 174.700 -0.150 0.000 0.916 676 T CA 1.256 63.305 62.100 -0.086 0.000 0.894 676 T CB 0.271 69.082 68.868 -0.095 0.000 1.251 676 T HN 1.903 nan 8.240 nan 0.000 0.517 677 G N 3.093 111.831 108.800 -0.103 0.000 2.442 677 G HA2 -0.259 3.693 3.960 -0.014 0.000 0.219 677 G HA3 -0.259 3.693 3.960 -0.014 0.000 0.219 677 G C 1.453 176.409 174.900 0.094 0.000 1.141 677 G CA 1.181 46.238 45.100 -0.071 0.000 0.763 677 G HN 0.830 nan 8.290 nan 0.000 0.554 678 N N 0.247 118.982 118.700 0.059 0.000 2.104 678 N HA -0.165 4.567 4.740 -0.014 0.000 0.190 678 N C 2.231 177.754 175.510 0.022 0.000 1.024 678 N CA 1.425 54.514 53.050 0.065 0.000 0.853 678 N CB -0.387 38.086 38.487 -0.024 0.000 1.008 678 N HN 0.344 nan 8.380 nan 0.000 0.424 679 M N 0.889 120.430 119.600 -0.097 0.000 2.117 679 M HA -0.058 4.413 4.480 -0.014 0.000 0.262 679 M C 2.064 178.319 176.300 -0.075 0.000 1.065 679 M CA 1.539 56.763 55.300 -0.126 0.000 1.114 679 M CB -0.170 32.365 32.600 -0.109 0.000 1.361 679 M HN 0.108 nan 8.290 nan 0.000 0.408 680 K N 0.063 120.346 120.400 -0.196 0.000 2.063 680 K HA -0.139 4.173 4.320 -0.014 0.000 0.208 680 K C 1.726 178.205 176.600 -0.202 0.000 1.048 680 K CA 1.495 57.595 56.287 -0.312 0.000 0.928 680 K CB -0.327 31.756 32.500 -0.694 0.000 0.713 680 K HN 0.156 nan 8.250 nan 0.000 0.442 681 F N 1.029 120.912 119.950 -0.111 0.000 2.113 681 F HA -0.133 4.385 4.527 -0.015 0.000 0.297 681 F C 2.612 178.388 175.800 -0.041 0.000 1.103 681 F CA 1.224 59.183 58.000 -0.068 0.000 1.248 681 F CB -0.394 38.555 39.000 -0.084 0.000 0.999 681 F HN -0.020 nan 8.300 nan 0.000 0.475 682 M N -0.319 119.368 119.600 0.144 0.000 2.108 682 M HA -0.257 4.214 4.480 -0.014 0.000 0.257 682 M C 2.147 178.502 176.300 0.092 0.000 1.071 682 M CA 1.720 57.075 55.300 0.092 0.000 1.093 682 M CB -0.330 32.320 32.600 0.083 0.000 1.345 682 M HN 0.271 nan 8.290 nan 0.000 0.403 683 L N 0.596 121.871 121.223 0.086 0.000 2.275 683 L HA -0.091 4.240 4.340 -0.014 0.000 0.215 683 L C 1.317 178.231 176.870 0.074 0.000 1.119 683 L CA 1.606 56.502 54.840 0.093 0.000 0.790 683 L CB -0.565 41.560 42.059 0.110 0.000 0.919 683 L HN 0.347 nan 8.230 nan 0.000 0.443 684 N N -0.216 118.520 118.700 0.058 0.000 2.251 684 N HA 0.172 4.903 4.740 -0.014 0.000 0.217 684 N C 0.880 176.427 175.510 0.062 0.000 1.124 684 N CA 0.786 53.865 53.050 0.048 0.000 0.843 684 N CB 0.569 39.063 38.487 0.012 0.000 1.024 684 N HN 0.411 nan 8.380 nan 0.000 0.501 685 G N 0.408 109.250 108.800 0.070 0.000 2.132 685 G HA2 -0.200 3.751 3.960 -0.014 0.000 0.228 685 G HA3 -0.200 3.751 3.960 -0.014 0.000 0.228 685 G C -0.003 174.969 174.900 0.120 0.000 1.000 685 G CA 0.132 45.276 45.100 0.074 0.000 0.693 685 G HN 0.526 nan 8.290 nan 0.000 0.515 686 A N -0.402 122.499 122.820 0.134 0.000 2.325 686 A HA 0.884 5.196 4.320 -0.014 0.000 0.333 686 A C -0.049 177.542 177.584 0.013 0.000 1.155 686 A CA -0.639 51.495 52.037 0.161 0.000 0.814 686 A CB 1.328 20.479 19.000 0.252 0.000 1.206 686 A HN 0.719 nan 8.150 nan 0.000 0.482 687 L N 0.741 121.938 121.223 -0.043 0.000 2.421 687 L HA 0.550 4.881 4.340 -0.014 0.000 0.263 687 L C 0.618 177.359 176.870 -0.214 0.000 1.122 687 L CA 0.567 55.267 54.840 -0.233 0.000 0.804 687 L CB 1.449 43.272 42.059 -0.393 0.000 1.150 687 L HN 0.742 nan 8.230 nan 0.000 0.457 688 T N 3.551 117.850 114.554 -0.425 0.000 2.807 688 T HA 0.527 4.868 4.350 -0.014 0.000 0.279 688 T C -0.408 174.178 174.700 -0.190 0.000 0.993 688 T CA -0.215 61.631 62.100 -0.422 0.000 0.970 688 T CB 1.060 69.505 68.868 -0.704 0.000 0.950 688 T HN 0.434 nan 8.240 nan 0.000 0.441 689 I N 2.976 123.529 120.570 -0.029 0.000 2.355 689 I HA 0.723 4.884 4.170 -0.014 0.000 0.288 689 I C 0.012 176.274 176.117 0.240 0.000 0.999 689 I CA 0.033 61.432 61.300 0.165 0.000 1.163 689 I CB 0.333 38.368 38.000 0.059 0.000 1.316 689 I HN 0.797 nan 8.210 nan 0.000 0.454 690 G N 3.987 112.991 108.800 0.340 0.000 2.559 690 G HA2 0.455 4.406 3.960 -0.014 0.000 0.291 690 G HA3 0.455 4.406 3.960 -0.014 0.000 0.291 690 G C -0.922 173.904 174.900 -0.123 0.000 1.424 690 G CA -0.388 44.826 45.100 0.189 0.000 0.786 690 G HN 0.556 nan 8.290 nan 0.000 0.485 691 T N -1.530 112.825 114.554 -0.331 0.000 2.847 691 T HA 0.521 4.862 4.350 -0.014 0.000 0.279 691 T C 0.682 175.260 174.700 -0.202 0.000 0.984 691 T CA -0.691 61.134 62.100 -0.457 0.000 0.988 691 T CB 1.148 69.754 68.868 -0.437 0.000 1.040 691 T HN 0.253 nan 8.240 nan 0.000 0.528 692 M N 2.888 122.380 119.600 -0.180 0.000 3.254 692 M HA 0.334 4.806 4.480 -0.014 0.000 0.257 692 M C -0.446 175.798 176.300 -0.093 0.000 1.490 692 M CA -0.070 55.162 55.300 -0.113 0.000 1.620 692 M CB -1.799 30.744 32.600 -0.096 0.000 1.157 692 M HN 0.741 nan 8.290 nan 0.000 0.541 693 D N -0.015 120.336 120.400 -0.082 0.000 2.645 693 D HA 0.680 5.311 4.640 -0.014 0.000 0.228 693 D C 0.695 176.969 176.300 -0.043 0.000 1.148 693 D CA 0.718 54.684 54.000 -0.058 0.000 0.860 693 D CB 1.710 42.477 40.800 -0.056 0.000 1.548 693 D HN 0.595 nan 8.370 nan 0.000 0.460 694 G N 1.564 110.347 108.800 -0.029 0.000 2.627 694 G HA2 -0.252 3.699 3.960 -0.014 0.000 0.312 694 G HA3 -0.252 3.699 3.960 -0.014 0.000 0.312 694 G C 1.058 175.946 174.900 -0.019 0.000 1.299 694 G CA 1.174 46.261 45.100 -0.021 0.000 0.989 694 G HN 1.095 nan 8.290 nan 0.000 0.547 695 A N -0.340 122.465 122.820 -0.025 0.000 2.168 695 A HA 0.067 4.378 4.320 -0.014 0.000 0.215 695 A C 2.127 179.644 177.584 -0.112 0.000 1.152 695 A CA 1.893 53.908 52.037 -0.036 0.000 0.716 695 A CB -0.458 18.512 19.000 -0.051 0.000 0.794 695 A HN 0.621 nan 8.150 nan 0.000 0.465 696 N N 0.521 119.165 118.700 -0.094 0.000 2.137 696 N HA -0.152 4.580 4.740 -0.014 0.000 0.190 696 N C 1.622 177.008 175.510 -0.207 0.000 1.017 696 N CA 1.611 54.601 53.050 -0.101 0.000 0.859 696 N CB -0.613 37.864 38.487 -0.017 0.000 1.002 696 N HN 0.300 nan 8.380 nan 0.000 0.428 697 V N 1.400 121.232 119.914 -0.136 0.000 2.287 697 V HA -0.217 3.895 4.120 -0.014 0.000 0.248 697 V C 2.007 178.018 176.094 -0.138 0.000 1.053 697 V CA 1.696 63.913 62.300 -0.138 0.000 1.027 697 V CB -0.524 31.253 31.823 -0.076 0.000 0.646 697 V HN 0.346 nan 8.190 nan 0.000 0.447 698 E N -0.566 119.606 120.200 -0.048 0.000 2.150 698 E HA -0.171 4.171 4.350 -0.014 0.000 0.193 698 E C 2.196 178.874 176.600 0.129 0.000 0.985 698 E CA 1.186 57.628 56.400 0.069 0.000 0.814 698 E CB -0.200 29.627 29.700 0.212 0.000 0.752 698 E HN 0.546 nan 8.360 nan 0.000 0.466 699 M N 0.405 119.958 119.600 -0.078 0.000 2.099 699 M HA -0.128 4.343 4.480 -0.014 0.000 0.262 699 M C 2.488 178.492 176.300 -0.493 0.000 1.067 699 M CA 1.517 56.690 55.300 -0.212 0.000 1.124 699 M CB -0.164 32.196 32.600 -0.400 0.000 1.353 699 M HN 0.135 nan 8.290 nan 0.000 0.410 700 A N -0.163 122.074 122.820 -0.973 0.000 1.933 700 A HA -0.222 4.089 4.320 -0.014 0.000 0.218 700 A C 1.989 179.343 177.584 -0.383 0.000 1.175 700 A CA 1.977 53.392 52.037 -1.036 0.000 0.628 700 A CB -0.811 17.685 19.000 -0.841 0.000 0.814 700 A HN 0.579 nan 8.150 nan 0.000 0.444 701 E N -0.491 119.565 120.200 -0.240 0.000 2.077 701 E HA -0.209 4.133 4.350 -0.014 0.000 0.193 701 E C 1.809 178.372 176.600 -0.061 0.000 0.989 701 E CA 1.234 57.567 56.400 -0.113 0.000 0.800 701 E CB -0.045 29.612 29.700 -0.071 0.000 0.746 701 E HN 0.554 nan 8.360 nan 0.000 0.452 702 E N -0.087 120.103 120.200 -0.017 0.000 2.072 702 E HA -0.111 4.230 4.350 -0.014 0.000 0.190 702 E C 1.772 178.389 176.600 0.029 0.000 0.982 702 E CA 1.089 57.506 56.400 0.029 0.000 0.803 702 E CB -0.079 29.697 29.700 0.125 0.000 0.755 702 E HN 0.335 nan 8.360 nan 0.000 0.453 703 A N 0.289 123.125 122.820 0.028 0.000 2.132 703 A HA 0.372 4.683 4.320 -0.014 0.000 0.213 703 A C 0.989 178.586 177.584 0.022 0.000 1.154 703 A CA 0.985 53.057 52.037 0.059 0.000 0.753 703 A CB 0.146 19.242 19.000 0.159 0.000 0.826 703 A HN 0.228 nan 8.150 nan 0.000 0.469 704 G N -0.403 108.381 108.800 -0.027 0.000 3.225 704 G HA2 -0.087 3.864 3.960 -0.014 0.000 0.686 704 G HA3 -0.087 3.864 3.960 -0.014 0.000 0.686 704 G C -0.030 174.849 174.900 -0.036 0.000 1.105 704 G CA -0.012 45.069 45.100 -0.032 0.000 0.831 704 G HN 0.243 nan 8.290 nan 0.000 0.578 705 E N 0.954 121.121 120.200 -0.055 0.000 2.219 705 E HA -0.193 4.149 4.350 -0.014 0.000 0.198 705 E C 2.028 178.615 176.600 -0.022 0.000 0.998 705 E CA 1.822 58.198 56.400 -0.040 0.000 0.818 705 E CB 0.067 29.742 29.700 -0.041 0.000 0.741 705 E HN 0.768 nan 8.360 nan 0.000 0.477 706 E N 0.625 120.801 120.200 -0.040 0.000 2.268 706 E HA -0.091 4.251 4.350 -0.014 0.000 0.195 706 E C 0.926 177.442 176.600 -0.141 0.000 0.995 706 E CA 0.640 56.996 56.400 -0.073 0.000 0.836 706 E CB -0.012 29.657 29.700 -0.052 0.000 0.763 706 E HN 0.180 nan 8.360 nan 0.000 0.491 707 N N -0.282 118.363 118.700 -0.092 0.000 2.251 707 N HA 0.132 4.863 4.740 -0.014 0.000 0.217 707 N C -0.901 174.513 175.510 -0.159 0.000 1.124 707 N CA 0.108 53.069 53.050 -0.147 0.000 0.843 707 N CB 0.365 38.824 38.487 -0.047 0.000 1.024 707 N HN 0.043 nan 8.380 nan 0.000 0.501 708 F N -0.393 119.319 119.950 -0.397 0.000 2.588 708 F HA 0.416 4.934 4.527 -0.015 0.000 0.314 708 F C -0.694 174.838 175.800 -0.447 0.000 1.069 708 F CA -1.152 56.640 58.000 -0.346 0.000 0.931 708 F CB 1.312 40.218 39.000 -0.156 0.000 1.260 708 F HN -0.218 nan 8.300 nan 0.000 0.465 709 F N 5.047 124.997 119.950 0.001 0.000 2.318 709 F HA 0.379 4.898 4.527 -0.014 0.000 0.356 709 F C -0.269 175.653 175.800 0.205 0.000 1.109 709 F CA -0.630 57.408 58.000 0.064 0.000 1.234 709 F CB -0.103 38.883 39.000 -0.023 0.000 1.545 709 F HN -0.011 nan 8.300 nan 0.000 0.534 710 I N 3.689 124.455 120.570 0.327 0.000 2.440 710 I HA 0.395 4.556 4.170 -0.014 0.000 0.294 710 I C -0.029 176.268 176.117 0.300 0.000 0.995 710 I CA -0.650 60.804 61.300 0.257 0.000 1.306 710 I CB 0.686 38.764 38.000 0.130 0.000 1.407 710 I HN 0.378 nan 8.210 nan 0.000 0.501 711 F N 2.144 122.155 119.950 0.102 0.000 2.831 711 F HA 0.830 5.348 4.527 -0.015 0.000 0.318 711 F C 0.013 175.849 175.800 0.060 0.000 1.174 711 F CA -0.393 57.658 58.000 0.086 0.000 0.918 711 F CB 1.028 40.093 39.000 0.108 0.000 1.364 711 F HN 0.818 nan 8.300 nan 0.000 0.475 712 G N 0.886 109.740 108.800 0.090 0.000 2.828 712 G HA2 -0.094 3.858 3.960 -0.014 0.000 0.463 712 G HA3 -0.094 3.858 3.960 -0.014 0.000 0.463 712 G C -0.859 174.006 174.900 -0.059 0.000 1.394 712 G CA -0.509 44.571 45.100 -0.033 0.000 0.862 712 G HN 0.942 nan 8.290 nan 0.000 0.540 713 M N 0.053 119.631 119.600 -0.037 0.000 2.248 713 M HA 0.398 4.869 4.480 -0.014 0.000 0.337 713 M C 1.065 177.327 176.300 -0.063 0.000 1.121 713 M CA 0.136 55.423 55.300 -0.022 0.000 1.155 713 M CB 0.574 33.171 32.600 -0.005 0.000 1.514 713 M HN 0.576 nan 8.290 nan 0.000 0.452 714 R N 0.604 121.081 120.500 -0.038 0.000 2.549 714 R HA 0.318 4.649 4.340 -0.014 0.000 0.259 714 R C 1.020 177.299 176.300 -0.035 0.000 1.095 714 R CA -0.491 55.582 56.100 -0.046 0.000 1.148 714 R CB 0.369 30.651 30.300 -0.031 0.000 1.181 714 R HN 0.561 nan 8.270 nan 0.000 0.571 715 V N 1.115 121.008 119.914 -0.036 0.000 2.324 715 V HA -0.243 3.869 4.120 -0.014 0.000 0.250 715 V C 2.187 178.270 176.094 -0.019 0.000 1.060 715 V CA 2.037 64.320 62.300 -0.029 0.000 1.042 715 V CB -0.475 31.330 31.823 -0.031 0.000 0.650 715 V HN 0.700 nan 8.190 nan 0.000 0.450 716 E N 0.127 120.318 120.200 -0.016 0.000 2.118 716 E HA -0.253 4.088 4.350 -0.014 0.000 0.195 716 E C 1.883 178.486 176.600 0.004 0.000 0.992 716 E CA 1.545 57.941 56.400 -0.006 0.000 0.804 716 E CB -0.184 29.513 29.700 -0.005 0.000 0.741 716 E HN 0.653 nan 8.360 nan 0.000 0.458 717 D N -0.073 120.331 120.400 0.006 0.000 2.149 717 D HA -0.105 4.526 4.640 -0.014 0.000 0.201 717 D C 2.113 178.427 176.300 0.023 0.000 0.972 717 D CA 0.730 54.743 54.000 0.023 0.000 0.835 717 D CB 0.038 40.855 40.800 0.028 0.000 0.966 717 D HN 0.114 nan 8.370 nan 0.000 0.476 718 V N 1.665 121.581 119.914 0.003 0.000 2.343 718 V HA -0.227 3.884 4.120 -0.014 0.000 0.247 718 V C 1.872 177.967 176.094 0.002 0.000 1.051 718 V CA 1.746 64.041 62.300 -0.008 0.000 1.036 718 V CB -0.493 31.316 31.823 -0.023 0.000 0.654 718 V HN -0.010 nan 8.190 nan 0.000 0.451 719 D N -0.132 120.269 120.400 0.002 0.000 2.104 719 D HA -0.152 4.479 4.640 -0.014 0.000 0.194 719 D C 2.443 178.755 176.300 0.020 0.000 0.994 719 D CA 1.279 55.282 54.000 0.005 0.000 0.830 719 D CB -0.257 40.542 40.800 -0.001 0.000 0.959 719 D HN 0.292 nan 8.370 nan 0.000 0.452 720 R N -0.405 120.111 120.500 0.026 0.000 2.096 720 R HA -0.090 4.242 4.340 -0.014 0.000 0.235 720 R C 2.062 178.396 176.300 0.057 0.000 1.127 720 R CA 0.522 56.645 56.100 0.038 0.000 0.968 720 R CB -0.296 30.028 30.300 0.040 0.000 0.861 720 R HN 0.153 nan 8.270 nan 0.000 0.440 721 L N 1.007 122.272 121.223 0.069 0.000 2.109 721 L HA -0.120 4.212 4.340 -0.014 0.000 0.207 721 L C 1.320 178.254 176.870 0.106 0.000 1.086 721 L CA 1.857 56.763 54.840 0.111 0.000 0.760 721 L CB -0.301 41.837 42.059 0.131 0.000 0.910 721 L HN 0.069 nan 8.230 nan 0.000 0.437 722 D N -1.078 119.360 120.400 0.064 0.000 2.219 722 D HA -0.182 4.450 4.640 -0.014 0.000 0.205 722 D C 2.036 178.368 176.300 0.052 0.000 0.970 722 D CA 0.721 54.754 54.000 0.054 0.000 0.851 722 D CB 0.254 41.066 40.800 0.020 0.000 0.943 722 D HN 0.373 nan 8.370 nan 0.000 0.488 723 Q N 0.730 120.558 119.800 0.046 0.000 1.975 723 Q HA -0.137 4.194 4.340 -0.014 0.000 0.205 723 Q C 2.115 178.142 176.000 0.045 0.000 0.990 723 Q CA 1.666 57.492 55.803 0.039 0.000 0.845 723 Q CB -0.064 28.695 28.738 0.034 0.000 0.913 723 Q HN 0.338 nan 8.270 nan 0.000 0.420 724 R N -0.903 119.630 120.500 0.056 0.000 2.276 724 R HA 0.184 4.515 4.340 -0.014 0.000 0.203 724 R C -0.022 176.316 176.300 0.064 0.000 1.017 724 R CA 0.764 56.896 56.100 0.054 0.000 1.010 724 R CB -0.122 30.212 30.300 0.056 0.000 0.900 724 R HN 0.177 nan 8.270 nan 0.000 0.469 725 G N 1.184 110.036 108.800 0.086 0.000 3.338 725 G HA2 -0.271 3.680 3.960 -0.014 0.000 0.686 725 G HA3 -0.271 3.680 3.960 -0.014 0.000 0.686 725 G C -1.299 173.694 174.900 0.156 0.000 1.053 725 G CA -0.389 44.772 45.100 0.102 0.000 0.852 725 G HN 0.351 nan 8.290 nan 0.000 0.545 726 Y N 3.436 123.768 120.300 0.053 0.000 2.480 726 Y HA 0.489 5.030 4.550 -0.014 0.000 0.341 726 Y C 0.618 176.573 175.900 0.091 0.000 1.031 726 Y CA -0.487 57.664 58.100 0.086 0.000 1.295 726 Y CB 0.736 39.227 38.460 0.051 0.000 1.162 726 Y HN 0.595 nan 8.280 nan 0.000 0.523 727 N N 5.049 123.539 118.700 -0.349 0.000 2.564 727 N HA 0.380 5.112 4.740 -0.014 0.000 0.248 727 N C 0.306 175.578 175.510 -0.396 0.000 0.986 727 N CA 0.155 53.012 53.050 -0.321 0.000 0.921 727 N CB 1.059 39.482 38.487 -0.107 0.000 1.136 727 N HN 0.862 nan 8.380 nan 0.000 0.509 728 A N 2.777 125.260 122.820 -0.561 0.000 1.972 728 A HA -0.220 4.092 4.320 -0.014 0.000 0.219 728 A C 2.024 179.745 177.584 0.229 0.000 1.169 728 A CA 1.271 53.223 52.037 -0.142 0.000 0.635 728 A CB -0.392 18.476 19.000 -0.221 0.000 0.810 728 A HN 0.763 nan 8.150 nan 0.000 0.446 729 Q N 0.293 120.125 119.800 0.054 0.000 2.112 729 Q HA -0.247 4.084 4.340 -0.014 0.000 0.206 729 Q C 1.887 177.974 176.000 0.145 0.000 0.987 729 Q CA 2.410 58.269 55.803 0.093 0.000 0.858 729 Q CB -0.408 28.344 28.738 0.023 0.000 0.905 729 Q HN 0.777 nan 8.270 nan 0.000 0.420 730 E N -1.446 118.783 120.200 0.049 0.000 2.070 730 E HA -0.244 4.098 4.350 -0.014 0.000 0.197 730 E C 1.621 178.160 176.600 -0.101 0.000 1.004 730 E CA 1.563 57.918 56.400 -0.075 0.000 0.805 730 E CB -0.240 29.324 29.700 -0.227 0.000 0.744 730 E HN 0.588 nan 8.360 nan 0.000 0.451 731 Y N -1.233 119.124 120.300 0.095 0.000 2.293 731 Y HA -0.177 4.364 4.550 -0.014 0.000 0.291 731 Y C 2.115 177.989 175.900 -0.044 0.000 1.137 731 Y CA 1.339 59.474 58.100 0.058 0.000 1.202 731 Y CB -0.566 37.974 38.460 0.132 0.000 0.990 731 Y HN 0.250 nan 8.280 nan 0.000 0.537 732 Y N 1.186 121.495 120.300 0.016 0.000 2.181 732 Y HA -0.228 4.313 4.550 -0.014 0.000 0.288 732 Y C 1.761 177.618 175.900 -0.072 0.000 1.146 732 Y CA 1.759 59.798 58.100 -0.101 0.000 1.164 732 Y CB -0.252 38.201 38.460 -0.012 0.000 0.982 732 Y HN 0.069 nan 8.280 nan 0.000 0.515 733 D N -0.333 120.100 120.400 0.056 0.000 2.234 733 D HA -0.055 4.577 4.640 -0.014 0.000 0.205 733 D C 1.872 178.118 176.300 -0.090 0.000 0.962 733 D CA 1.018 54.999 54.000 -0.033 0.000 0.855 733 D CB -0.101 40.728 40.800 0.049 0.000 0.951 733 D HN 0.451 nan 8.370 nan 0.000 0.500 734 R N -0.173 120.281 120.500 -0.077 0.000 2.280 734 R HA 0.277 4.609 4.340 -0.014 0.000 0.195 734 R C 0.439 176.703 176.300 -0.060 0.000 0.935 734 R CA 0.192 56.251 56.100 -0.068 0.000 1.033 734 R CB 0.898 31.157 30.300 -0.068 0.000 0.964 734 R HN 0.096 nan 8.270 nan 0.000 0.489 735 I N 1.497 122.012 120.570 -0.092 0.000 2.464 735 I HA 0.220 4.381 4.170 -0.014 0.000 0.277 735 I C -2.000 174.020 176.117 -0.161 0.000 1.040 735 I CA -2.415 58.839 61.300 -0.077 0.000 1.153 735 I CB 2.004 39.988 38.000 -0.027 0.000 1.274 735 I HN -0.265 nan 8.210 nan 0.000 0.469 736 P HA -0.205 nan 4.420 nan 0.000 0.216 736 P C 1.182 178.392 177.300 -0.151 0.000 1.157 736 P CA 1.553 64.565 63.100 -0.147 0.000 0.880 736 P CB 0.286 31.931 31.700 -0.091 0.000 0.791 737 E N -1.116 119.031 120.200 -0.088 0.000 2.110 737 E HA -0.178 4.164 4.350 -0.014 0.000 0.193 737 E C 1.903 178.409 176.600 -0.157 0.000 0.988 737 E CA 0.733 57.095 56.400 -0.064 0.000 0.804 737 E CB -0.641 29.090 29.700 0.052 0.000 0.745 737 E HN 0.113 nan 8.360 nan 0.000 0.458 738 L N 1.357 122.402 121.223 -0.296 0.000 2.056 738 L HA -0.141 4.191 4.340 -0.014 0.000 0.207 738 L C 2.359 178.988 176.870 -0.402 0.000 1.078 738 L CA 1.673 56.177 54.840 -0.560 0.000 0.749 738 L CB -0.357 41.229 42.059 -0.789 0.000 0.901 738 L HN -0.078 nan 8.230 nan 0.000 0.433 739 R N -0.812 119.434 120.500 -0.422 0.000 2.083 739 R HA -0.245 4.086 4.340 -0.014 0.000 0.237 739 R C 2.401 178.572 176.300 -0.214 0.000 1.137 739 R CA 2.030 57.821 56.100 -0.514 0.000 0.951 739 R CB -0.390 29.490 30.300 -0.700 0.000 0.851 739 R HN 0.616 nan 8.270 nan 0.000 0.434 740 Q N 0.428 120.120 119.800 -0.181 0.000 2.096 740 Q HA -0.188 4.143 4.340 -0.014 0.000 0.204 740 Q C 2.097 178.054 176.000 -0.071 0.000 0.982 740 Q CA 1.984 57.721 55.803 -0.110 0.000 0.850 740 Q CB -0.105 28.565 28.738 -0.112 0.000 0.901 740 Q HN 0.487 nan 8.270 nan 0.000 0.422 741 I N 0.620 121.143 120.570 -0.078 0.000 2.226 741 I HA -0.279 3.882 4.170 -0.014 0.000 0.245 741 I C 2.112 178.253 176.117 0.039 0.000 1.100 741 I CA 0.623 61.908 61.300 -0.024 0.000 1.374 741 I CB -0.318 37.645 38.000 -0.061 0.000 1.057 741 I HN 0.301 nan 8.210 nan 0.000 0.413 742 I N 0.857 121.459 120.570 0.053 0.000 2.226 742 I HA -0.235 3.927 4.170 -0.014 0.000 0.245 742 I C 2.421 178.634 176.117 0.159 0.000 1.100 742 I CA 1.648 63.037 61.300 0.149 0.000 1.374 742 I CB -1.323 36.840 38.000 0.272 0.000 1.057 742 I HN 0.334 nan 8.210 nan 0.000 0.413 743 E N 0.538 120.823 120.200 0.140 0.000 2.077 743 E HA -0.239 4.103 4.350 -0.014 0.000 0.193 743 E C 2.200 178.870 176.600 0.117 0.000 0.989 743 E CA 1.034 57.509 56.400 0.125 0.000 0.800 743 E CB -0.129 29.622 29.700 0.085 0.000 0.746 743 E HN 0.578 nan 8.360 nan 0.000 0.452 744 Q N 0.423 120.274 119.800 0.085 0.000 2.084 744 Q HA -0.145 4.186 4.340 -0.014 0.000 0.202 744 Q C 2.351 178.513 176.000 0.270 0.000 0.978 744 Q CA 1.024 56.887 55.803 0.099 0.000 0.844 744 Q CB -0.086 28.600 28.738 -0.086 0.000 0.898 744 Q HN 0.306 nan 8.270 nan 0.000 0.426 745 L N -0.020 121.368 121.223 0.275 0.000 2.017 745 L HA -0.201 4.131 4.340 -0.014 0.000 0.208 745 L C 2.465 179.506 176.870 0.286 0.000 1.073 745 L CA 1.022 56.043 54.840 0.302 0.000 0.745 745 L CB -0.362 41.799 42.059 0.170 0.000 0.894 745 L HN 0.154 nan 8.230 nan 0.000 0.432 746 S N -0.271 115.556 115.700 0.212 0.000 2.355 746 S HA -0.165 4.296 4.470 -0.014 0.000 0.222 746 S C 2.136 176.836 174.600 0.167 0.000 1.031 746 S CA 1.521 59.828 58.200 0.179 0.000 0.993 746 S CB -0.291 62.993 63.200 0.140 0.000 0.859 746 S HN 0.606 nan 8.310 nan 0.000 0.453 747 S N 0.750 116.547 115.700 0.163 0.000 2.442 747 S HA 0.167 4.628 4.470 -0.014 0.000 0.236 747 S C 1.503 176.192 174.600 0.147 0.000 1.007 747 S CA 1.004 59.288 58.200 0.140 0.000 0.965 747 S CB -0.464 62.815 63.200 0.133 0.000 0.773 747 S HN 0.952 nan 8.310 nan 0.000 0.504 748 G N 0.250 109.171 108.800 0.202 0.000 2.135 748 G HA2 -0.246 3.706 3.960 -0.014 0.000 0.183 748 G HA3 -0.246 3.706 3.960 -0.014 0.000 0.183 748 G C 0.128 175.122 174.900 0.157 0.000 1.004 748 G CA 0.100 45.313 45.100 0.188 0.000 0.677 748 G HN 0.495 nan 8.290 nan 0.000 0.512 749 F N 0.351 120.303 119.950 0.003 0.000 2.216 749 F HA 0.230 4.748 4.527 -0.014 0.000 0.300 749 F C 1.745 177.334 175.800 -0.352 0.000 1.085 749 F CA 1.682 59.554 58.000 -0.214 0.000 1.326 749 F CB -0.021 38.767 39.000 -0.353 0.000 1.027 749 F HN 0.168 nan 8.300 nan 0.000 0.497 750 F N -0.252 119.878 119.950 0.299 0.000 2.641 750 F HA 0.228 4.746 4.527 -0.014 0.000 0.302 750 F C 0.494 176.425 175.800 0.218 0.000 1.098 750 F CA 0.187 58.307 58.000 0.200 0.000 1.318 750 F CB -0.138 38.949 39.000 0.146 0.000 1.035 750 F HN -0.020 nan 8.300 nan 0.000 0.551 751 S N -2.232 113.633 115.700 0.275 0.000 2.708 751 S HA 0.282 4.743 4.470 -0.014 0.000 0.141 751 S C -2.517 172.122 174.600 0.065 0.000 1.349 751 S CA -0.902 57.402 58.200 0.174 0.000 1.206 751 S CB 0.721 64.025 63.200 0.173 0.000 1.603 751 S HN -0.166 nan 8.310 nan 0.000 0.415 752 P HA -0.118 nan 4.420 nan 0.000 0.215 752 P C 1.146 178.439 177.300 -0.012 0.000 1.157 752 P CA 1.412 64.493 63.100 -0.031 0.000 0.874 752 P CB 0.065 31.719 31.700 -0.076 0.000 0.790 753 K N -1.102 119.293 120.400 -0.008 0.000 2.365 753 K HA -0.023 4.288 4.320 -0.014 0.000 0.199 753 K C 0.593 177.194 176.600 0.002 0.000 1.045 753 K CA 0.815 57.100 56.287 -0.004 0.000 0.962 753 K CB -0.021 32.478 32.500 -0.002 0.000 0.759 753 K HN 0.340 nan 8.250 nan 0.000 0.469 754 Q N -0.468 119.334 119.800 0.003 0.000 3.484 754 Q HA 0.143 4.474 4.340 -0.014 0.000 0.255 754 Q C -2.412 173.590 176.000 0.004 0.000 0.909 754 Q CA -1.459 54.342 55.803 -0.005 0.000 0.774 754 Q CB 1.549 30.274 28.738 -0.022 0.000 1.431 754 Q HN -0.098 nan 8.270 nan 0.000 0.423 755 P HA -0.256 nan 4.420 nan 0.000 0.218 755 P C 0.692 178.039 177.300 0.078 0.000 1.152 755 P CA 1.653 64.789 63.100 0.060 0.000 0.857 755 P CB 0.189 31.918 31.700 0.049 0.000 0.787 756 D N -1.534 118.894 120.400 0.046 0.000 2.388 756 D HA 0.000 4.632 4.640 -0.014 0.000 0.221 756 D C 1.565 177.872 176.300 0.011 0.000 1.133 756 D CA -0.264 53.770 54.000 0.056 0.000 0.831 756 D CB -0.644 40.186 40.800 0.050 0.000 0.962 756 D HN 0.028 nan 8.370 nan 0.000 0.502 757 L N 0.061 121.232 121.223 -0.088 0.000 2.089 757 L HA -0.093 4.238 4.340 -0.014 0.000 0.213 757 L C 0.911 177.547 176.870 -0.390 0.000 1.079 757 L CA 1.695 56.354 54.840 -0.302 0.000 0.758 757 L CB -0.636 41.070 42.059 -0.587 0.000 0.891 757 L HN -0.006 nan 8.230 nan 0.000 0.433 758 F N -0.502 119.503 119.950 0.092 0.000 2.837 758 F HA 0.177 4.695 4.527 -0.014 0.000 0.298 758 F C 1.754 177.603 175.800 0.083 0.000 1.161 758 F CA -0.212 57.832 58.000 0.073 0.000 1.353 758 F CB -0.354 38.677 39.000 0.053 0.000 0.951 758 F HN 0.094 nan 8.300 nan 0.000 0.508 759 K N -0.476 120.037 120.400 0.189 0.000 2.147 759 K HA -0.152 4.160 4.320 -0.014 0.000 0.205 759 K C 0.939 177.636 176.600 0.162 0.000 1.049 759 K CA 1.768 58.150 56.287 0.160 0.000 0.936 759 K CB -0.194 32.376 32.500 0.116 0.000 0.722 759 K HN 0.123 nan 8.250 nan 0.000 0.446 760 D N 1.527 122.030 120.400 0.173 0.000 2.117 760 D HA -0.109 4.523 4.640 -0.014 0.000 0.197 760 D C 2.111 178.508 176.300 0.161 0.000 0.987 760 D CA 1.266 55.371 54.000 0.175 0.000 0.829 760 D CB -0.132 40.805 40.800 0.228 0.000 0.961 760 D HN 0.308 nan 8.370 nan 0.000 0.460 761 I N 0.770 121.440 120.570 0.167 0.000 2.142 761 I HA -0.230 3.931 4.170 -0.014 0.000 0.240 761 I C 2.552 178.726 176.117 0.096 0.000 1.078 761 I CA 0.694 62.066 61.300 0.121 0.000 1.343 761 I CB -0.315 37.754 38.000 0.115 0.000 1.046 761 I HN -0.124 nan 8.210 nan 0.000 0.405 762 V N 1.077 121.063 119.914 0.119 0.000 2.295 762 V HA -0.334 3.778 4.120 -0.014 0.000 0.246 762 V C 2.257 178.377 176.094 0.043 0.000 1.049 762 V CA 2.394 64.749 62.300 0.090 0.000 1.024 762 V CB -1.026 30.865 31.823 0.113 0.000 0.648 762 V HN 0.546 nan 8.190 nan 0.000 0.447 763 N N -0.386 118.374 118.700 0.099 0.000 2.104 763 N HA -0.244 4.487 4.740 -0.014 0.000 0.190 763 N C 2.030 177.644 175.510 0.173 0.000 1.024 763 N CA 1.722 54.864 53.050 0.153 0.000 0.853 763 N CB -0.115 38.507 38.487 0.224 0.000 1.008 763 N HN 0.381 nan 8.380 nan 0.000 0.424 764 M N 1.282 120.984 119.600 0.169 0.000 2.086 764 M HA -0.122 4.349 4.480 -0.014 0.000 0.261 764 M C 1.950 178.268 176.300 0.031 0.000 1.067 764 M CA 1.264 56.675 55.300 0.186 0.000 1.116 764 M CB -0.701 31.984 32.600 0.142 0.000 1.348 764 M HN 0.242 nan 8.290 nan 0.000 0.407 765 L N -0.154 121.020 121.223 -0.082 0.000 2.083 765 L HA -0.248 4.084 4.340 -0.014 0.000 0.209 765 L C 2.559 179.145 176.870 -0.473 0.000 1.083 765 L CA 0.937 55.582 54.840 -0.326 0.000 0.752 765 L CB -0.544 41.309 42.059 -0.344 0.000 0.899 765 L HN 0.330 nan 8.230 nan 0.000 0.433 766 M N -1.537 117.849 119.600 -0.358 0.000 2.287 766 M HA -0.065 4.407 4.480 -0.014 0.000 0.266 766 M C 1.872 177.778 176.300 -0.657 0.000 1.079 766 M CA 1.620 56.609 55.300 -0.519 0.000 1.146 766 M CB -0.713 31.467 32.600 -0.700 0.000 1.374 766 M HN 0.308 nan 8.290 nan 0.000 0.435 767 H N -2.391 116.551 119.070 -0.213 0.000 3.091 767 H HA 0.222 4.770 4.556 -0.014 0.000 0.249 767 H C 0.206 175.131 175.328 -0.672 0.000 0.985 767 H CA 0.548 56.309 56.048 -0.478 0.000 1.177 767 H CB 0.278 29.640 29.762 -0.665 0.000 1.456 767 H HN 0.488 nan 8.280 nan 0.000 0.467 768 H N 0.044 119.166 119.070 0.087 0.000 2.676 768 H HA 0.167 4.714 4.556 -0.014 0.000 0.238 768 H C -0.629 174.715 175.328 0.027 0.000 1.276 768 H CA -0.447 55.640 56.048 0.065 0.000 0.983 768 H CB 0.613 30.418 29.762 0.072 0.000 2.000 768 H HN -0.014 nan 8.280 nan 0.000 0.584 769 D N 1.241 121.691 120.400 0.085 0.000 2.374 769 D HA 0.076 4.707 4.640 -0.014 0.000 0.240 769 D C 0.958 177.212 176.300 -0.077 0.000 1.229 769 D CA -0.129 53.889 54.000 0.031 0.000 0.895 769 D CB 0.551 41.357 40.800 0.009 0.000 1.046 769 D HN 0.340 nan 8.370 nan 0.000 0.498 770 R N 2.383 122.728 120.500 -0.257 0.000 2.235 770 R HA -0.020 4.312 4.340 -0.014 0.000 0.213 770 R C 0.716 176.505 176.300 -0.853 0.000 1.059 770 R CA 0.767 56.508 56.100 -0.597 0.000 0.997 770 R CB 0.141 29.895 30.300 -0.911 0.000 0.884 770 R HN 0.441 nan 8.270 nan 0.000 0.462 771 F N 0.465 120.379 119.950 -0.060 0.000 2.654 771 F HA 0.256 4.775 4.527 -0.014 0.000 0.303 771 F C 0.048 175.721 175.800 -0.213 0.000 1.099 771 F CA -0.638 57.306 58.000 -0.094 0.000 1.270 771 F CB 0.338 39.336 39.000 -0.003 0.000 1.024 771 F HN -0.257 nan 8.300 nan 0.000 0.548 772 K N -0.162 120.032 120.400 -0.342 0.000 3.278 772 K HA -0.192 4.120 4.320 -0.014 0.000 0.270 772 K C 0.979 177.439 176.600 -0.233 0.000 0.955 772 K CA 0.120 56.013 56.287 -0.658 0.000 0.723 772 K CB -1.856 30.180 32.500 -0.773 0.000 1.382 772 K HN 0.238 nan 8.250 nan 0.000 0.461 773 V N 0.111 119.975 119.914 -0.082 0.000 2.255 773 V HA -0.291 3.820 4.120 -0.014 0.000 0.247 773 V C 1.988 178.206 176.094 0.206 0.000 1.051 773 V CA 2.325 64.656 62.300 0.051 0.000 1.018 773 V CB -0.493 31.360 31.823 0.049 0.000 0.641 773 V HN 0.512 nan 8.190 nan 0.000 0.445 774 F N 0.226 120.177 119.950 0.002 0.000 2.161 774 F HA -0.223 4.295 4.527 -0.014 0.000 0.300 774 F C 2.546 178.131 175.800 -0.358 0.000 1.089 774 F CA 0.700 58.643 58.000 -0.095 0.000 1.282 774 F CB -0.445 38.508 39.000 -0.078 0.000 1.010 774 F HN 0.208 nan 8.300 nan 0.000 0.485 775 A N -0.429 122.215 122.820 -0.294 0.000 2.024 775 A HA -0.220 4.092 4.320 -0.014 0.000 0.220 775 A C 1.481 179.062 177.584 -0.005 0.000 1.164 775 A CA 2.059 53.858 52.037 -0.395 0.000 0.643 775 A CB -0.489 18.404 19.000 -0.179 0.000 0.806 775 A HN 0.267 nan 8.150 nan 0.000 0.451 776 D N -3.028 117.427 120.400 0.093 0.000 2.398 776 D HA 0.093 4.724 4.640 -0.014 0.000 0.210 776 D C 1.165 177.634 176.300 0.282 0.000 1.094 776 D CA -0.059 54.072 54.000 0.217 0.000 0.839 776 D CB -0.125 40.816 40.800 0.236 0.000 0.963 776 D HN 0.581 nan 8.370 nan 0.000 0.506 777 Y N 2.199 122.587 120.300 0.146 0.000 2.053 777 Y HA -0.257 4.285 4.550 -0.014 0.000 0.277 777 Y C 2.128 178.115 175.900 0.144 0.000 1.159 777 Y CA 1.991 60.187 58.100 0.161 0.000 1.125 777 Y CB 0.134 38.662 38.460 0.113 0.000 0.969 777 Y HN -0.102 nan 8.280 nan 0.000 0.492 778 E N -0.046 120.253 120.200 0.164 0.000 2.049 778 E HA -0.276 4.065 4.350 -0.014 0.000 0.198 778 E C 2.209 178.789 176.600 -0.034 0.000 1.007 778 E CA 1.747 58.162 56.400 0.026 0.000 0.809 778 E CB -0.219 29.586 29.700 0.175 0.000 0.749 778 E HN 0.621 nan 8.360 nan 0.000 0.450 779 E N -0.455 119.798 120.200 0.088 0.000 2.153 779 E HA -0.201 4.140 4.350 -0.014 0.000 0.194 779 E C 1.872 178.456 176.600 -0.027 0.000 0.988 779 E CA 0.671 57.136 56.400 0.109 0.000 0.811 779 E CB -0.086 29.773 29.700 0.266 0.000 0.746 779 E HN 0.283 nan 8.360 nan 0.000 0.466 780 Y N 0.988 121.083 120.300 -0.342 0.000 2.163 780 Y HA -0.202 4.339 4.550 -0.014 0.000 0.288 780 Y C 2.092 177.603 175.900 -0.649 0.000 1.136 780 Y CA 0.938 58.513 58.100 -0.875 0.000 1.147 780 Y CB -0.478 37.536 38.460 -0.742 0.000 0.987 780 Y HN -0.205 nan 8.280 nan 0.000 0.509 781 V N 0.649 120.225 119.914 -0.565 0.000 2.343 781 V HA -0.320 3.791 4.120 -0.014 0.000 0.247 781 V C 2.298 178.168 176.094 -0.374 0.000 1.051 781 V CA 2.356 64.334 62.300 -0.536 0.000 1.036 781 V CB -0.614 30.902 31.823 -0.511 0.000 0.654 781 V HN 0.296 nan 8.190 nan 0.000 0.451 782 K N -0.814 119.430 120.400 -0.261 0.000 2.026 782 K HA -0.215 4.096 4.320 -0.014 0.000 0.208 782 K C 2.310 178.811 176.600 -0.164 0.000 1.048 782 K CA 1.791 57.985 56.287 -0.155 0.000 0.929 782 K CB -0.669 31.789 32.500 -0.070 0.000 0.713 782 K HN 0.524 nan 8.250 nan 0.000 0.439 783 C N 1.433 120.616 119.300 -0.194 0.000 2.413 783 C HA -0.115 4.336 4.460 -0.014 0.000 0.277 783 C C 2.624 177.425 174.990 -0.315 0.000 1.265 783 C CA 0.881 59.806 59.018 -0.155 0.000 1.752 783 C CB -0.700 26.976 27.740 -0.108 0.000 1.998 783 C HN 0.431 nan 8.230 nan 0.000 0.489 784 Q N 0.382 119.872 119.800 -0.516 0.000 2.170 784 Q HA -0.156 4.175 4.340 -0.014 0.000 0.203 784 Q C 2.032 177.824 176.000 -0.346 0.000 0.976 784 Q CA 1.606 57.055 55.803 -0.590 0.000 0.858 784 Q CB -0.366 27.795 28.738 -0.961 0.000 0.907 784 Q HN 0.769 nan 8.270 nan 0.000 0.433 785 E N 0.080 120.136 120.200 -0.240 0.000 2.106 785 E HA -0.140 4.201 4.350 -0.014 0.000 0.192 785 E C 2.066 178.606 176.600 -0.101 0.000 0.984 785 E CA 0.431 56.749 56.400 -0.136 0.000 0.806 785 E CB -0.054 29.589 29.700 -0.096 0.000 0.750 785 E HN 0.148 nan 8.360 nan 0.000 0.458 786 R N 0.640 121.080 120.500 -0.100 0.000 2.120 786 R HA -0.135 4.197 4.340 -0.014 0.000 0.234 786 R C 2.552 178.813 176.300 -0.064 0.000 1.123 786 R CA 1.311 57.407 56.100 -0.006 0.000 0.975 786 R CB -0.240 30.119 30.300 0.098 0.000 0.866 786 R HN 0.215 nan 8.270 nan 0.000 0.446 787 V N -3.034 116.661 119.914 -0.365 0.000 2.488 787 V HA -0.071 4.041 4.120 -0.014 0.000 0.246 787 V C 1.803 177.883 176.094 -0.023 0.000 1.046 787 V CA 1.810 63.836 62.300 -0.457 0.000 1.053 787 V CB -0.163 31.220 31.823 -0.733 0.000 0.679 787 V HN 0.100 nan 8.190 nan 0.000 0.458 788 S N 0.942 116.593 115.700 -0.082 0.000 2.399 788 S HA 0.006 4.467 4.470 -0.014 0.000 0.231 788 S C 2.228 176.878 174.600 0.083 0.000 1.022 788 S CA 1.598 59.784 58.200 -0.023 0.000 0.983 788 S CB -0.514 62.642 63.200 -0.073 0.000 0.803 788 S HN 0.927 nan 8.310 nan 0.000 0.480 789 A N 1.032 123.902 122.820 0.084 0.000 1.898 789 A HA 0.012 4.324 4.320 -0.014 0.000 0.216 789 A C 2.061 179.756 177.584 0.185 0.000 1.181 789 A CA 1.152 53.260 52.037 0.119 0.000 0.620 789 A CB -0.600 18.458 19.000 0.097 0.000 0.819 789 A HN 0.436 nan 8.150 nan 0.000 0.442 790 L N -1.942 119.449 121.223 0.280 0.000 2.156 790 L HA -0.050 4.281 4.340 -0.014 0.000 0.208 790 L C 2.176 179.336 176.870 0.484 0.000 1.095 790 L CA 1.767 56.848 54.840 0.401 0.000 0.770 790 L CB -0.792 41.596 42.059 0.548 0.000 0.914 790 L HN 0.492 nan 8.230 nan 0.000 0.439 791 Y N 1.230 121.683 120.300 0.255 0.000 2.293 791 Y HA -0.209 4.333 4.550 -0.013 0.000 0.291 791 Y C 2.222 178.063 175.900 -0.098 0.000 1.137 791 Y CA 1.857 59.866 58.100 -0.152 0.000 1.202 791 Y CB -0.179 37.978 38.460 -0.504 0.000 0.990 791 Y HN 0.383 nan 8.280 nan 0.000 0.537 792 K N -0.523 119.907 120.400 0.051 0.000 2.551 792 K HA -0.060 4.252 4.320 -0.014 0.000 0.192 792 K C 0.116 176.697 176.600 -0.032 0.000 1.027 792 K CA 0.661 56.950 56.287 0.003 0.000 1.059 792 K CB -0.171 32.398 32.500 0.114 0.000 0.831 792 K HN 0.088 nan 8.250 nan 0.000 0.508 793 N N 1.318 120.010 118.700 -0.014 0.000 2.841 793 N HA 0.192 4.923 4.740 -0.014 0.000 0.257 793 N C -2.324 173.187 175.510 0.000 0.000 1.396 793 N CA -2.112 50.942 53.050 0.007 0.000 0.823 793 N CB 1.474 39.999 38.487 0.064 0.000 1.162 793 N HN -0.167 nan 8.380 nan 0.000 0.503 794 P HA -0.228 nan 4.420 nan 0.000 0.219 794 P C 1.408 178.719 177.300 0.018 0.000 1.161 794 P CA 1.443 64.475 63.100 -0.114 0.000 0.909 794 P CB 0.362 31.972 31.700 -0.151 0.000 0.793 795 R N -0.261 120.250 120.500 0.019 0.000 2.083 795 R HA -0.173 4.159 4.340 -0.014 0.000 0.237 795 R C 2.107 178.451 176.300 0.074 0.000 1.137 795 R CA 1.537 57.661 56.100 0.040 0.000 0.951 795 R CB -0.425 29.890 30.300 0.025 0.000 0.851 795 R HN 0.091 nan 8.270 nan 0.000 0.434 796 E N -0.104 120.150 120.200 0.090 0.000 2.107 796 E HA -0.221 4.120 4.350 -0.014 0.000 0.191 796 E C 1.601 178.284 176.600 0.138 0.000 0.982 796 E CA 0.736 57.195 56.400 0.097 0.000 0.809 796 E CB -0.450 29.306 29.700 0.094 0.000 0.756 796 E HN 0.537 nan 8.360 nan 0.000 0.459 797 W N 2.156 123.461 121.300 0.008 0.000 2.358 797 W HA -0.154 4.497 4.660 -0.015 0.000 0.303 797 W C 1.551 178.082 176.519 0.021 0.000 1.208 797 W CA 1.972 59.339 57.345 0.038 0.000 1.274 797 W CB -0.431 29.039 29.460 0.015 0.000 1.138 797 W HN 0.012 nan 8.180 nan 0.000 0.515 798 T N 1.296 116.013 114.554 0.272 0.000 2.821 798 T HA -0.153 4.189 4.350 -0.014 0.000 0.267 798 T C 1.868 176.588 174.700 0.033 0.000 1.046 798 T CA 1.655 63.843 62.100 0.145 0.000 1.139 798 T CB -0.238 68.687 68.868 0.095 0.000 0.871 798 T HN 0.175 nan 8.240 nan 0.000 0.454 799 R N 0.482 121.004 120.500 0.036 0.000 2.092 799 R HA 0.100 4.431 4.340 -0.014 0.000 0.231 799 R C 2.501 178.793 176.300 -0.013 0.000 1.119 799 R CA 1.161 57.278 56.100 0.028 0.000 0.970 799 R CB -0.348 29.974 30.300 0.037 0.000 0.864 799 R HN 0.365 nan 8.270 nan 0.000 0.440 800 M N 0.579 120.135 119.600 -0.073 0.000 2.175 800 M HA -0.137 4.334 4.480 -0.014 0.000 0.264 800 M C 1.956 178.164 176.300 -0.152 0.000 1.063 800 M CA 1.392 56.608 55.300 -0.139 0.000 1.119 800 M CB 0.151 32.604 32.600 -0.245 0.000 1.377 800 M HN -0.026 nan 8.290 nan 0.000 0.415 801 V N 0.913 120.719 119.914 -0.180 0.000 2.332 801 V HA -0.315 3.796 4.120 -0.014 0.000 0.248 801 V C 2.231 178.304 176.094 -0.033 0.000 1.055 801 V CA 2.002 64.226 62.300 -0.126 0.000 1.038 801 V CB -0.620 31.161 31.823 -0.070 0.000 0.651 801 V HN 0.520 nan 8.190 nan 0.000 0.450 802 I N -0.548 120.022 120.570 0.000 0.000 2.286 802 I HA -0.247 3.914 4.170 -0.014 0.000 0.248 802 I C 2.659 178.823 176.117 0.078 0.000 1.115 802 I CA 1.489 62.832 61.300 0.072 0.000 1.392 802 I CB -0.391 37.696 38.000 0.144 0.000 1.065 802 I HN 0.237 nan 8.210 nan 0.000 0.418 803 R N 0.404 120.928 120.500 0.041 0.000 2.148 803 R HA -0.084 4.247 4.340 -0.014 0.000 0.227 803 R C 2.002 178.334 176.300 0.053 0.000 1.103 803 R CA 1.010 57.135 56.100 0.042 0.000 0.983 803 R CB -0.325 29.984 30.300 0.015 0.000 0.874 803 R HN 0.513 nan 8.270 nan 0.000 0.451 804 N N 0.620 119.344 118.700 0.041 0.000 2.148 804 N HA -0.053 4.678 4.740 -0.014 0.000 0.186 804 N C 1.928 177.496 175.510 0.098 0.000 1.031 804 N CA 1.019 54.116 53.050 0.078 0.000 0.848 804 N CB 0.026 38.529 38.487 0.026 0.000 1.005 804 N HN 0.100 nan 8.380 nan 0.000 0.427 805 I N 1.713 122.327 120.570 0.073 0.000 2.163 805 I HA -0.260 3.902 4.170 -0.014 0.000 0.243 805 I C 2.476 178.642 176.117 0.081 0.000 1.085 805 I CA 0.993 62.340 61.300 0.079 0.000 1.347 805 I CB -0.366 37.672 38.000 0.063 0.000 1.044 805 I HN 0.102 nan 8.210 nan 0.000 0.408 806 A N 0.368 123.236 122.820 0.080 0.000 2.019 806 A HA -0.183 4.128 4.320 -0.014 0.000 0.219 806 A C 2.122 179.744 177.584 0.064 0.000 1.164 806 A CA 2.169 54.246 52.037 0.067 0.000 0.644 806 A CB -0.891 18.154 19.000 0.075 0.000 0.805 806 A HN 0.557 nan 8.150 nan 0.000 0.449 807 T N -2.935 111.671 114.554 0.086 0.000 3.134 807 T HA 0.173 4.515 4.350 -0.014 0.000 0.260 807 T C 1.143 175.931 174.700 0.148 0.000 1.027 807 T CA 0.661 62.816 62.100 0.090 0.000 0.913 807 T CB -0.186 68.736 68.868 0.090 0.000 1.046 807 T HN 0.503 nan 8.240 nan 0.000 0.553 808 S N 0.140 115.947 115.700 0.179 0.000 2.593 808 S HA 0.271 4.733 4.470 -0.014 0.000 0.217 808 S C 2.151 176.874 174.600 0.204 0.000 0.966 808 S CA 0.174 58.558 58.200 0.307 0.000 0.914 808 S CB -0.564 62.797 63.200 0.268 0.000 0.776 808 S HN 0.516 nan 8.310 nan 0.000 0.523 809 G N 2.662 111.505 108.800 0.072 0.000 2.469 809 G HA2 -0.266 3.685 3.960 -0.014 0.000 0.220 809 G HA3 -0.266 3.685 3.960 -0.014 0.000 0.220 809 G C 1.318 176.165 174.900 -0.088 0.000 1.136 809 G CA 0.943 46.054 45.100 0.017 0.000 0.759 809 G HN 0.606 nan 8.290 nan 0.000 0.562 810 K N -0.124 120.104 120.400 -0.288 0.000 2.280 810 K HA -0.002 4.309 4.320 -0.014 0.000 0.202 810 K C 1.124 177.359 176.600 -0.608 0.000 1.047 810 K CA 0.568 56.545 56.287 -0.516 0.000 0.942 810 K CB -0.245 31.794 32.500 -0.767 0.000 0.739 810 K HN 0.409 nan 8.250 nan 0.000 0.457 811 F N 0.888 120.866 119.950 0.047 0.000 2.664 811 F HA 0.130 4.648 4.527 -0.015 0.000 0.301 811 F C 0.823 176.668 175.800 0.075 0.000 1.126 811 F CA -0.566 57.468 58.000 0.058 0.000 1.373 811 F CB 0.392 39.422 39.000 0.051 0.000 1.042 811 F HN -0.119 nan 8.300 nan 0.000 0.535 812 S N 0.312 116.087 115.700 0.125 0.000 2.548 812 S HA 0.074 4.535 4.470 -0.014 0.000 0.277 812 S C 1.428 176.108 174.600 0.133 0.000 1.315 812 S CA -0.225 58.051 58.200 0.127 0.000 1.050 812 S CB 0.844 64.089 63.200 0.075 0.000 0.918 812 S HN 0.337 nan 8.310 nan 0.000 0.497 813 S N 3.167 118.972 115.700 0.175 0.000 2.547 813 S HA -0.064 4.398 4.470 -0.014 0.000 0.235 813 S C 0.889 175.547 174.600 0.095 0.000 0.980 813 S CA 0.603 58.929 58.200 0.209 0.000 0.941 813 S CB -0.300 63.096 63.200 0.325 0.000 0.763 813 S HN 0.786 nan 8.310 nan 0.000 0.532 814 D N 1.861 122.300 120.400 0.064 0.000 2.149 814 D HA -0.056 4.576 4.640 -0.014 0.000 0.201 814 D C 2.118 178.422 176.300 0.007 0.000 0.972 814 D CA 0.685 54.700 54.000 0.025 0.000 0.835 814 D CB -0.299 40.514 40.800 0.020 0.000 0.966 814 D HN 0.291 nan 8.370 nan 0.000 0.476 815 R N 0.949 121.454 120.500 0.009 0.000 2.075 815 R HA -0.077 4.255 4.340 -0.014 0.000 0.232 815 R C 1.826 178.116 176.300 -0.016 0.000 1.126 815 R CA 1.306 57.397 56.100 -0.015 0.000 0.963 815 R CB -0.768 29.509 30.300 -0.038 0.000 0.858 815 R HN 0.094 nan 8.270 nan 0.000 0.435 816 T N 2.244 116.811 114.554 0.022 0.000 2.684 816 T HA -0.111 4.230 4.350 -0.014 0.000 0.267 816 T C 1.928 176.639 174.700 0.019 0.000 1.036 816 T CA 1.366 63.499 62.100 0.055 0.000 1.148 816 T CB -0.114 68.865 68.868 0.185 0.000 0.863 816 T HN 0.102 nan 8.240 nan 0.000 0.436 817 I N 1.666 122.172 120.570 -0.106 0.000 2.286 817 I HA -0.088 4.073 4.170 -0.014 0.000 0.248 817 I C 2.908 178.985 176.117 -0.066 0.000 1.115 817 I CA 0.951 62.150 61.300 -0.169 0.000 1.392 817 I CB -1.595 36.303 38.000 -0.171 0.000 1.065 817 I HN 0.195 nan 8.210 nan 0.000 0.418 818 A N 0.163 122.960 122.820 -0.039 0.000 1.972 818 A HA -0.227 4.085 4.320 -0.014 0.000 0.219 818 A C 2.238 179.781 177.584 -0.068 0.000 1.169 818 A CA 1.372 53.392 52.037 -0.028 0.000 0.635 818 A CB -0.513 18.475 19.000 -0.019 0.000 0.810 818 A HN 0.518 nan 8.150 nan 0.000 0.446 819 Q N -2.004 117.735 119.800 -0.103 0.000 2.123 819 Q HA -0.130 4.202 4.340 -0.014 0.000 0.199 819 Q C 1.869 177.698 176.000 -0.285 0.000 0.966 819 Q CA 1.426 57.127 55.803 -0.170 0.000 0.845 819 Q CB -0.260 28.364 28.738 -0.189 0.000 0.907 819 Q HN 0.818 nan 8.270 nan 0.000 0.439 820 Y N 0.656 120.669 120.300 -0.478 0.000 2.145 820 Y HA -0.260 4.281 4.550 -0.015 0.000 0.286 820 Y C 2.487 177.824 175.900 -0.938 0.000 1.145 820 Y CA 1.295 58.857 58.100 -0.898 0.000 1.148 820 Y CB -0.414 37.207 38.460 -1.399 0.000 0.981 820 Y HN 0.144 nan 8.280 nan 0.000 0.507 821 A N 0.304 122.905 122.820 -0.364 0.000 1.883 821 A HA -0.227 4.085 4.320 -0.014 0.000 0.217 821 A C 2.259 179.862 177.584 0.030 0.000 1.186 821 A CA 2.062 54.130 52.037 0.052 0.000 0.624 821 A CB -0.510 18.590 19.000 0.166 0.000 0.822 821 A HN 0.413 nan 8.150 nan 0.000 0.444 822 R N -0.801 119.674 120.500 -0.042 0.000 2.100 822 R HA -0.001 4.330 4.340 -0.014 0.000 0.220 822 R C 1.776 178.051 176.300 -0.041 0.000 1.091 822 R CA 1.322 57.409 56.100 -0.022 0.000 0.986 822 R CB -0.187 30.096 30.300 -0.028 0.000 0.888 822 R HN 0.659 nan 8.270 nan 0.000 0.444 823 E N -0.216 119.919 120.200 -0.108 0.000 2.400 823 E HA 0.080 4.421 4.350 -0.014 0.000 0.195 823 E C 1.462 178.013 176.600 -0.082 0.000 1.012 823 E CA 0.508 56.849 56.400 -0.100 0.000 0.875 823 E CB 0.489 30.101 29.700 -0.147 0.000 0.859 823 E HN 0.310 nan 8.360 nan 0.000 0.498 824 I N -1.301 119.188 120.570 -0.135 0.000 3.739 824 I HA 0.019 4.181 4.170 -0.014 0.000 0.272 824 I C 1.319 177.578 176.117 0.236 0.000 1.167 824 I CA -0.094 61.191 61.300 -0.025 0.000 1.386 824 I CB 0.216 38.057 38.000 -0.266 0.000 1.490 824 I HN 0.106 nan 8.210 nan 0.000 0.452 825 W N 1.635 123.033 121.300 0.164 0.000 2.658 825 W HA 0.321 4.973 4.660 -0.014 0.000 0.263 825 W C 1.484 178.039 176.519 0.060 0.000 1.274 825 W CA 0.841 58.261 57.345 0.124 0.000 1.343 825 W CB -1.079 28.443 29.460 0.103 0.000 1.106 825 W HN 0.319 nan 8.180 nan 0.000 0.615 826 G N 1.174 110.111 108.800 0.228 0.000 2.256 826 G HA2 -0.093 3.858 3.960 -0.014 0.000 0.272 826 G HA3 -0.093 3.858 3.960 -0.014 0.000 0.272 826 G C -0.357 174.614 174.900 0.118 0.000 1.076 826 G CA 0.205 45.381 45.100 0.127 0.000 0.882 826 G HN 0.429 nan 8.290 nan 0.000 0.497 827 V N -4.180 115.823 119.914 0.147 0.000 2.925 827 V HA 0.898 5.010 4.120 -0.014 0.000 0.311 827 V C -0.382 175.769 176.094 0.095 0.000 1.104 827 V CA -1.705 60.663 62.300 0.113 0.000 0.954 827 V CB 2.338 34.239 31.823 0.131 0.000 1.022 827 V HN 0.133 nan 8.190 nan 0.000 0.427 828 E N 4.190 124.429 120.200 0.065 0.000 2.146 828 E HA 0.489 4.831 4.350 -0.014 0.000 0.282 828 E C -2.444 174.190 176.600 0.056 0.000 0.989 828 E CA -1.766 54.666 56.400 0.053 0.000 0.799 828 E CB 1.761 31.484 29.700 0.038 0.000 1.088 828 E HN 0.759 nan 8.360 nan 0.000 0.397 829 P HA 0.055 nan 4.420 nan 0.000 0.269 829 P C -0.452 176.877 177.300 0.048 0.000 1.215 829 P CA -0.242 62.891 63.100 0.055 0.000 0.780 829 P CB 0.932 32.660 31.700 0.047 0.000 0.898 830 S N 0.976 116.708 115.700 0.052 0.000 2.575 830 S HA 0.337 4.799 4.470 -0.014 0.000 0.278 830 S C 0.451 175.079 174.600 0.047 0.000 1.139 830 S CA -0.755 57.475 58.200 0.050 0.000 0.954 830 S CB 1.060 64.298 63.200 0.063 0.000 1.054 830 S HN 0.293 nan 8.310 nan 0.000 0.483 831 R N 2.277 122.800 120.500 0.038 0.000 2.362 831 R HA 0.186 4.517 4.340 -0.014 0.000 0.227 831 R C -0.072 176.243 176.300 0.025 0.000 0.905 831 R CA 0.024 56.145 56.100 0.034 0.000 1.067 831 R CB 0.136 30.455 30.300 0.032 0.000 1.078 831 R HN 0.709 nan 8.270 nan 0.000 0.516 832 Q N 1.573 121.388 119.800 0.025 0.000 2.247 832 Q HA -0.006 4.325 4.340 -0.014 0.000 0.288 832 Q C -0.199 175.799 176.000 -0.004 0.000 1.079 832 Q CA 0.288 56.099 55.803 0.013 0.000 0.932 832 Q CB 0.480 29.232 28.738 0.022 0.000 1.133 832 Q HN -0.354 nan 8.270 nan 0.000 0.377 833 R N 1.791 122.280 120.500 -0.018 0.000 2.570 833 R HA 0.098 4.429 4.340 -0.014 0.000 0.277 833 R C -0.517 175.748 176.300 -0.057 0.000 1.039 833 R CA -0.229 55.848 56.100 -0.038 0.000 1.065 833 R CB -0.138 30.137 30.300 -0.041 0.000 0.964 833 R HN 0.442 nan 8.270 nan 0.000 0.428 834 L N 5.902 127.078 121.223 -0.080 0.000 2.334 834 L HA 0.454 4.786 4.340 -0.014 0.000 0.277 834 L C -1.954 174.852 176.870 -0.106 0.000 1.075 834 L CA -2.055 52.705 54.840 -0.133 0.000 0.804 834 L CB 1.084 43.044 42.059 -0.165 0.000 1.174 834 L HN 0.554 nan 8.230 nan 0.000 0.438 835 P HA 0.064 nan 4.420 nan 0.000 0.260 835 P C -0.668 176.596 177.300 -0.060 0.000 1.185 835 P CA -0.107 62.950 63.100 -0.073 0.000 0.763 835 P CB 0.406 32.066 31.700 -0.067 0.000 0.776 836 A N 0.000 122.794 122.820 -0.044 0.000 2.254 836 A HA 0.000 4.311 4.320 -0.014 0.000 0.244 836 A CA 0.000 52.019 52.037 -0.030 0.000 0.836 836 A CB 0.000 18.986 19.000 -0.023 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486