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 3l7d_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXXNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.981 176.000 -0.031 0.000 1.003 12 Q CA 0.000 55.772 55.803 -0.051 0.000 1.022 12 Q CB 0.000 28.701 28.738 -0.063 0.000 1.108 13 I N 0.099 120.656 120.570 -0.022 0.000 2.530 13 I HA 0.519 4.681 4.170 -0.013 0.000 0.297 13 I C 1.043 177.159 176.117 -0.002 0.000 1.011 13 I CA -0.054 61.241 61.300 -0.008 0.000 1.107 13 I CB 2.007 40.007 38.000 -0.001 0.000 1.285 13 I HN 0.226 nan 8.210 nan 0.000 0.436 14 S N 4.096 119.800 115.700 0.006 0.000 2.382 14 S HA -0.162 4.301 4.470 -0.013 0.000 0.228 14 S C 1.725 176.332 174.600 0.013 0.000 1.027 14 S CA 1.353 59.558 58.200 0.008 0.000 0.991 14 S CB -0.920 62.289 63.200 0.014 0.000 0.823 14 S HN 0.904 nan 8.310 nan 0.000 0.469 15 V N -0.238 119.690 119.914 0.024 0.000 2.867 15 V HA 0.097 4.210 4.120 -0.013 0.000 0.260 15 V C 2.179 178.286 176.094 0.021 0.000 1.099 15 V CA 1.427 63.745 62.300 0.031 0.000 1.122 15 V CB -1.153 30.697 31.823 0.046 0.000 0.708 15 V HN 0.420 nan 8.190 nan 0.000 0.490 16 R N 1.256 121.760 120.500 0.007 0.000 2.320 16 R HA 0.423 4.755 4.340 -0.013 0.000 0.211 16 R C 1.149 177.439 176.300 -0.017 0.000 0.931 16 R CA 0.554 56.651 56.100 -0.004 0.000 1.071 16 R CB -0.115 30.179 30.300 -0.011 0.000 1.025 16 R HN 0.776 nan 8.270 nan 0.000 0.495 17 G N 0.631 109.421 108.800 -0.017 0.000 2.728 17 G HA2 -0.225 3.728 3.960 -0.013 0.000 0.294 17 G HA3 -0.225 3.728 3.960 -0.013 0.000 0.294 17 G C -0.861 174.023 174.900 -0.028 0.000 1.342 17 G CA -1.074 44.008 45.100 -0.030 0.000 0.866 17 G HN -0.023 nan 8.290 nan 0.000 0.534 18 L N 0.360 121.565 121.223 -0.031 0.000 2.395 18 L HA 0.662 4.994 4.340 -0.013 0.000 0.269 18 L C 1.254 178.108 176.870 -0.027 0.000 1.133 18 L CA 0.443 55.268 54.840 -0.026 0.000 0.812 18 L CB 0.983 43.028 42.059 -0.023 0.000 1.125 18 L HN 1.617 nan 8.230 nan 0.000 0.452 19 A N 2.115 124.921 122.820 -0.023 0.000 3.165 19 A HA 0.592 4.905 4.320 -0.013 0.000 0.331 19 A C 0.600 178.176 177.584 -0.013 0.000 1.034 19 A CA -0.335 51.690 52.037 -0.021 0.000 0.906 19 A CB -0.199 18.786 19.000 -0.025 0.000 1.054 19 A HN 0.773 nan 8.150 nan 0.000 0.484 20 G N -0.353 108.442 108.800 -0.009 0.000 2.491 20 G HA2 0.340 4.292 3.960 -0.013 0.000 0.242 20 G HA3 0.340 4.292 3.960 -0.013 0.000 0.242 20 G C 1.113 176.014 174.900 0.003 0.000 1.266 20 G CA 0.300 45.398 45.100 -0.003 0.000 0.844 20 G HN 0.827 nan 8.290 nan 0.000 0.571 21 V N 1.670 121.587 119.914 0.005 0.000 2.324 21 V HA -0.198 3.914 4.120 -0.013 0.000 0.250 21 V C 2.611 178.713 176.094 0.014 0.000 1.060 21 V CA 2.974 65.280 62.300 0.009 0.000 1.042 21 V CB -0.379 31.449 31.823 0.008 0.000 0.650 21 V HN 0.896 nan 8.190 nan 0.000 0.450 22 E N 0.091 120.300 120.200 0.015 0.000 2.051 22 E HA -0.201 4.141 4.350 -0.013 0.000 0.192 22 E C 2.013 178.632 176.600 0.032 0.000 0.991 22 E CA 1.896 58.309 56.400 0.022 0.000 0.799 22 E CB -0.279 29.433 29.700 0.020 0.000 0.748 22 E HN 0.703 nan 8.360 nan 0.000 0.449 23 N N -0.840 117.878 118.700 0.030 0.000 2.084 23 N HA -0.134 4.598 4.740 -0.013 0.000 0.190 23 N C 1.625 177.158 175.510 0.038 0.000 1.030 23 N CA 1.264 54.337 53.050 0.039 0.000 0.849 23 N CB -0.110 38.388 38.487 0.019 0.000 1.012 23 N HN -0.009 nan 8.380 nan 0.000 0.423 24 V N 0.128 120.056 119.914 0.023 0.000 2.332 24 V HA -0.243 3.869 4.120 -0.013 0.000 0.248 24 V C 2.072 178.184 176.094 0.030 0.000 1.055 24 V CA 1.927 64.239 62.300 0.020 0.000 1.038 24 V CB -0.986 30.844 31.823 0.012 0.000 0.651 24 V HN 0.404 nan 8.190 nan 0.000 0.450 25 T N -0.613 113.960 114.554 0.031 0.000 2.708 25 T HA -0.234 4.108 4.350 -0.013 0.000 0.266 25 T C 1.940 176.672 174.700 0.052 0.000 1.037 25 T CA 1.871 63.992 62.100 0.034 0.000 1.146 25 T CB -0.224 68.661 68.868 0.027 0.000 0.865 25 T HN 0.461 nan 8.240 nan 0.000 0.435 26 E N 0.919 121.158 120.200 0.064 0.000 2.051 26 E HA -0.036 4.306 4.350 -0.013 0.000 0.192 26 E C 2.083 178.760 176.600 0.128 0.000 0.991 26 E CA 0.945 57.399 56.400 0.089 0.000 0.799 26 E CB -0.538 29.221 29.700 0.099 0.000 0.748 26 E HN 0.432 nan 8.360 nan 0.000 0.449 27 L N 0.176 121.478 121.223 0.133 0.000 2.012 27 L HA -0.231 4.101 4.340 -0.013 0.000 0.210 27 L C 2.457 179.430 176.870 0.172 0.000 1.073 27 L CA 1.601 56.538 54.840 0.163 0.000 0.748 27 L CB -0.364 41.755 42.059 0.099 0.000 0.891 27 L HN 0.083 nan 8.230 nan 0.000 0.431 28 K N 0.384 120.844 120.400 0.101 0.000 2.063 28 K HA -0.224 4.088 4.320 -0.013 0.000 0.208 28 K C 2.126 178.820 176.600 0.156 0.000 1.048 28 K CA 1.884 58.220 56.287 0.082 0.000 0.928 28 K CB -0.082 32.429 32.500 0.019 0.000 0.713 28 K HN 0.401 nan 8.250 nan 0.000 0.442 29 K N 0.057 120.534 120.400 0.129 0.000 2.167 29 K HA -0.019 4.293 4.320 -0.013 0.000 0.203 29 K C 1.562 178.249 176.600 0.145 0.000 1.052 29 K CA 1.223 57.582 56.287 0.121 0.000 0.956 29 K CB -0.052 32.493 32.500 0.075 0.000 0.735 29 K HN -0.004 nan 8.250 nan 0.000 0.451 30 N N 0.505 119.304 118.700 0.165 0.000 2.270 30 N HA -0.111 4.621 4.740 -0.013 0.000 0.181 30 N C 1.591 177.255 175.510 0.258 0.000 1.016 30 N CA 0.950 54.093 53.050 0.156 0.000 0.870 30 N CB -0.236 38.358 38.487 0.179 0.000 0.979 30 N HN 0.206 nan 8.380 nan 0.000 0.431 31 F N 2.606 122.658 119.950 0.171 0.000 2.095 31 F HA -0.133 4.387 4.527 -0.013 0.000 0.298 31 F C 2.026 177.931 175.800 0.175 0.000 1.104 31 F CA 1.320 59.434 58.000 0.190 0.000 1.232 31 F CB -0.103 38.978 39.000 0.135 0.000 0.987 31 F HN -0.031 nan 8.300 nan 0.000 0.475 32 N N 0.388 119.331 118.700 0.405 0.000 2.244 32 N HA -0.170 4.563 4.740 -0.013 0.000 0.183 32 N C 1.994 177.600 175.510 0.159 0.000 1.016 32 N CA 1.068 54.280 53.050 0.270 0.000 0.866 32 N CB -0.516 38.101 38.487 0.216 0.000 0.980 32 N HN 0.383 nan 8.380 nan 0.000 0.430 33 R N 0.258 120.845 120.500 0.144 0.000 2.073 33 R HA -0.088 4.244 4.340 -0.013 0.000 0.234 33 R C 1.787 178.176 176.300 0.148 0.000 1.134 33 R CA 1.433 57.641 56.100 0.181 0.000 0.952 33 R CB -0.234 30.104 30.300 0.064 0.000 0.850 33 R HN 0.364 nan 8.270 nan 0.000 0.433 34 H N -0.248 118.872 119.070 0.083 0.000 2.353 34 H HA -0.139 4.410 4.556 -0.013 0.000 0.300 34 H C 1.918 177.192 175.328 -0.090 0.000 1.090 34 H CA 1.527 57.556 56.048 -0.032 0.000 1.327 34 H CB 0.044 29.747 29.762 -0.099 0.000 1.383 34 H HN 0.133 nan 8.280 nan 0.000 0.508 35 L N -0.055 121.165 121.223 -0.004 0.000 2.079 35 L HA -0.203 4.130 4.340 -0.013 0.000 0.210 35 L C 2.207 179.066 176.870 -0.018 0.000 1.081 35 L CA 1.903 56.714 54.840 -0.048 0.000 0.752 35 L CB -0.422 41.627 42.059 -0.017 0.000 0.896 35 L HN 0.312 nan 8.230 nan 0.000 0.433 36 H N -1.933 117.073 119.070 -0.105 0.000 2.306 36 H HA -0.045 4.503 4.556 -0.013 0.000 0.307 36 H C 1.762 176.909 175.328 -0.302 0.000 1.061 36 H CA 2.168 58.060 56.048 -0.260 0.000 1.359 36 H CB -0.207 29.305 29.762 -0.416 0.000 1.407 36 H HN 0.292 nan 8.280 nan 0.000 0.517 37 F N -0.564 119.377 119.950 -0.016 0.000 2.335 37 F HA 0.021 4.540 4.527 -0.013 0.000 0.296 37 F C 2.505 178.237 175.800 -0.113 0.000 1.091 37 F CA 1.287 59.239 58.000 -0.081 0.000 1.399 37 F CB -0.208 38.778 39.000 -0.022 0.000 1.067 37 F HN 0.169 nan 8.300 nan 0.000 0.520 38 T N -0.143 114.452 114.554 0.067 0.000 2.953 38 T HA 0.087 4.430 4.350 -0.013 0.000 0.247 38 T C 2.000 176.615 174.700 -0.142 0.000 1.029 38 T CA 0.765 62.829 62.100 -0.060 0.000 1.144 38 T CB -0.258 68.540 68.868 -0.116 0.000 0.870 38 T HN 0.092 nan 8.240 nan 0.000 0.446 39 L N 1.250 122.390 121.223 -0.137 0.000 2.446 39 L HA 0.172 4.504 4.340 -0.013 0.000 0.219 39 L C 0.402 177.181 176.870 -0.150 0.000 1.116 39 L CA -0.016 54.731 54.840 -0.154 0.000 0.844 39 L CB -0.112 41.864 42.059 -0.138 0.000 0.970 39 L HN 0.004 nan 8.230 nan 0.000 0.457 40 V N 0.699 120.508 119.914 -0.175 0.000 6.078 40 V HA -0.289 3.823 4.120 -0.013 0.000 0.301 40 V C -0.060 175.925 176.094 -0.182 0.000 0.571 40 V CA 1.113 63.280 62.300 -0.222 0.000 0.625 40 V CB -2.315 29.402 31.823 -0.177 0.000 0.271 40 V HN 0.465 nan 8.190 nan 0.000 0.788 41 K N 0.608 120.909 120.400 -0.165 0.000 2.482 41 K HA 0.673 4.985 4.320 -0.013 0.000 0.257 41 K C -0.466 176.100 176.600 -0.056 0.000 0.969 41 K CA -0.634 55.589 56.287 -0.108 0.000 0.842 41 K CB 2.671 35.110 32.500 -0.101 0.000 1.359 41 K HN 0.476 nan 8.250 nan 0.000 0.441 42 D N -0.423 119.966 120.400 -0.019 0.000 2.384 42 D HA 0.262 4.894 4.640 -0.013 0.000 0.250 42 D C 0.788 177.120 176.300 0.053 0.000 1.029 42 D CA -0.715 53.309 54.000 0.038 0.000 0.990 42 D CB 0.891 41.712 40.800 0.036 0.000 1.175 42 D HN 0.123 nan 8.370 nan 0.000 0.532 43 R N 0.180 120.742 120.500 0.104 0.000 2.200 43 R HA -0.058 4.275 4.340 -0.013 0.000 0.234 43 R C 0.949 177.317 176.300 0.114 0.000 1.127 43 R CA 0.641 56.837 56.100 0.161 0.000 0.989 43 R CB -0.758 29.645 30.300 0.171 0.000 0.869 43 R HN 0.543 nan 8.270 nan 0.000 0.459 44 N N 0.280 119.019 118.700 0.064 0.000 2.331 44 N HA -0.096 4.636 4.740 -0.013 0.000 0.180 44 N C 1.679 177.205 175.510 0.027 0.000 1.019 44 N CA 1.412 54.489 53.050 0.045 0.000 0.881 44 N CB 0.143 38.647 38.487 0.029 0.000 0.972 44 N HN 0.249 nan 8.380 nan 0.000 0.435 45 V N -2.811 117.107 119.914 0.006 0.000 3.645 45 V HA 0.495 4.607 4.120 -0.013 0.000 0.275 45 V C 0.908 176.969 176.094 -0.057 0.000 1.356 45 V CA -0.400 61.889 62.300 -0.019 0.000 1.051 45 V CB -0.473 31.333 31.823 -0.027 0.000 0.828 45 V HN 0.062 nan 8.190 nan 0.000 0.441 46 A N 2.451 125.214 122.820 -0.095 0.000 2.511 46 A HA 0.533 4.845 4.320 -0.013 0.000 0.242 46 A C 0.764 178.168 177.584 -0.301 0.000 1.069 46 A CA 0.812 52.684 52.037 -0.276 0.000 0.763 46 A CB -0.285 18.426 19.000 -0.482 0.000 1.001 46 A HN 0.804 nan 8.150 nan 0.000 0.498 47 T N 0.462 114.842 114.554 -0.290 0.000 2.936 47 T HA 0.556 4.898 4.350 -0.013 0.000 0.282 47 T C -2.109 172.491 174.700 -0.167 0.000 1.003 47 T CA -1.769 60.243 62.100 -0.146 0.000 1.005 47 T CB 1.167 70.003 68.868 -0.053 0.000 1.097 47 T HN 0.268 nan 8.240 nan 0.000 0.532 48 P HA -0.102 nan 4.420 nan 0.000 0.217 48 P C 1.577 178.988 177.300 0.184 0.000 1.148 48 P CA 0.915 64.153 63.100 0.229 0.000 0.828 48 P CB 0.060 31.865 31.700 0.176 0.000 0.783 49 R N 0.021 120.579 120.500 0.097 0.000 2.092 49 R HA -0.132 4.200 4.340 -0.013 0.000 0.231 49 R C 1.647 178.118 176.300 0.285 0.000 1.119 49 R CA 1.680 57.878 56.100 0.164 0.000 0.970 49 R CB -0.660 29.677 30.300 0.063 0.000 0.864 49 R HN 0.092 nan 8.270 nan 0.000 0.440 50 D N -0.214 120.237 120.400 0.085 0.000 2.123 50 D HA -0.199 4.433 4.640 -0.013 0.000 0.196 50 D C 1.729 178.055 176.300 0.043 0.000 0.992 50 D CA 1.364 55.369 54.000 0.008 0.000 0.833 50 D CB -0.324 40.340 40.800 -0.227 0.000 0.954 50 D HN 0.304 nan 8.370 nan 0.000 0.455 51 Y N 0.109 120.509 120.300 0.166 0.000 2.181 51 Y HA -0.206 4.337 4.550 -0.013 0.000 0.288 51 Y C 2.337 178.356 175.900 0.199 0.000 1.146 51 Y CA 0.323 58.556 58.100 0.222 0.000 1.164 51 Y CB -1.193 37.456 38.460 0.314 0.000 0.982 51 Y HN 0.094 nan 8.280 nan 0.000 0.515 52 Y N -0.430 120.001 120.300 0.218 0.000 2.128 52 Y HA -0.297 4.245 4.550 -0.013 0.000 0.284 52 Y C 2.004 177.860 175.900 -0.074 0.000 1.154 52 Y CA 1.364 59.486 58.100 0.036 0.000 1.149 52 Y CB -1.142 37.245 38.460 -0.121 0.000 0.976 52 Y HN 0.044 nan 8.280 nan 0.000 0.505 53 F N 0.246 119.976 119.950 -0.366 0.000 2.134 53 F HA -0.158 4.362 4.527 -0.012 0.000 0.299 53 F C 2.663 178.284 175.800 -0.299 0.000 1.097 53 F CA 1.385 59.113 58.000 -0.453 0.000 1.264 53 F CB -0.871 38.038 39.000 -0.151 0.000 1.001 53 F HN 0.205 nan 8.300 nan 0.000 0.479 54 A N -0.191 122.558 122.820 -0.120 0.000 1.902 54 A HA -0.186 4.126 4.320 -0.013 0.000 0.217 54 A C 2.062 179.483 177.584 -0.271 0.000 1.181 54 A CA 1.580 53.416 52.037 -0.336 0.000 0.623 54 A CB -1.002 17.488 19.000 -0.851 0.000 0.818 54 A HN 0.345 nan 8.150 nan 0.000 0.443 55 L N -0.257 120.913 121.223 -0.089 0.000 2.027 55 L HA -0.023 4.309 4.340 -0.013 0.000 0.206 55 L C 2.696 179.535 176.870 -0.052 0.000 1.074 55 L CA 2.192 57.119 54.840 0.144 0.000 0.745 55 L CB -0.965 41.262 42.059 0.281 0.000 0.898 55 L HN 0.341 nan 8.230 nan 0.000 0.433 56 A N -1.335 121.277 122.820 -0.347 0.000 1.908 56 A HA -0.281 4.031 4.320 -0.013 0.000 0.218 56 A C 2.144 179.366 177.584 -0.604 0.000 1.181 56 A CA 1.994 53.704 52.037 -0.544 0.000 0.627 56 A CB -1.094 17.246 19.000 -1.099 0.000 0.818 56 A HN 0.678 nan 8.150 nan 0.000 0.445 57 H N -0.858 117.892 119.070 -0.534 0.000 2.387 57 H HA -0.061 4.487 4.556 -0.013 0.000 0.299 57 H C 2.334 177.404 175.328 -0.430 0.000 1.090 57 H CA 1.974 57.641 56.048 -0.636 0.000 1.332 57 H CB -0.132 29.001 29.762 -1.048 0.000 1.386 57 H HN 0.463 nan 8.280 nan 0.000 0.516 58 T N -0.333 114.184 114.554 -0.062 0.000 2.737 58 T HA -0.130 4.213 4.350 -0.013 0.000 0.265 58 T C 2.258 177.133 174.700 0.291 0.000 1.038 58 T CA 1.362 63.610 62.100 0.246 0.000 1.144 58 T CB -0.367 68.695 68.868 0.324 0.000 0.866 58 T HN 0.095 nan 8.240 nan 0.000 0.434 59 V N 1.583 121.615 119.914 0.197 0.000 2.358 59 V HA -0.127 3.986 4.120 -0.013 0.000 0.246 59 V C 2.608 178.872 176.094 0.282 0.000 1.047 59 V CA 1.548 63.986 62.300 0.231 0.000 1.035 59 V CB -0.653 31.305 31.823 0.224 0.000 0.658 59 V HN 0.365 nan 8.190 nan 0.000 0.452 60 R N 0.260 120.886 120.500 0.210 0.000 2.117 60 R HA -0.233 4.099 4.340 -0.013 0.000 0.243 60 R C 1.983 178.396 176.300 0.188 0.000 1.143 60 R CA 2.154 58.373 56.100 0.199 0.000 0.968 60 R CB -0.454 29.815 30.300 -0.050 0.000 0.863 60 R HN 0.489 nan 8.270 nan 0.000 0.444 61 D N -0.305 120.205 120.400 0.183 0.000 2.182 61 D HA -0.171 4.461 4.640 -0.013 0.000 0.201 61 D C 1.688 178.027 176.300 0.065 0.000 0.986 61 D CA 1.147 55.228 54.000 0.136 0.000 0.847 61 D CB -0.359 40.522 40.800 0.134 0.000 0.942 61 D HN 0.493 nan 8.370 nan 0.000 0.467 62 H N -0.356 118.777 119.070 0.106 0.000 2.524 62 H HA 0.071 4.619 4.556 -0.013 0.000 0.282 62 H C 2.190 177.558 175.328 0.066 0.000 1.016 62 H CA 0.275 56.369 56.048 0.076 0.000 1.270 62 H CB 0.448 30.247 29.762 0.062 0.000 1.394 62 H HN 0.187 nan 8.280 nan 0.000 0.568 63 L N 0.613 121.946 121.223 0.182 0.000 2.162 63 L HA -0.106 4.226 4.340 -0.013 0.000 0.205 63 L C 2.791 179.764 176.870 0.172 0.000 1.086 63 L CA 0.509 55.421 54.840 0.121 0.000 0.778 63 L CB -0.132 41.970 42.059 0.072 0.000 0.928 63 L HN 0.126 nan 8.230 nan 0.000 0.446 64 V N -2.085 117.952 119.914 0.206 0.000 2.343 64 V HA -0.114 3.998 4.120 -0.013 0.000 0.247 64 V C 2.263 178.467 176.094 0.183 0.000 1.051 64 V CA 1.971 64.433 62.300 0.269 0.000 1.036 64 V CB -1.571 30.377 31.823 0.208 0.000 0.654 64 V HN 0.372 nan 8.190 nan 0.000 0.451 65 G N 0.522 109.383 108.800 0.103 0.000 2.459 65 G HA2 -0.273 3.680 3.960 -0.013 0.000 0.217 65 G HA3 -0.273 3.680 3.960 -0.013 0.000 0.217 65 G C 1.730 176.669 174.900 0.066 0.000 1.183 65 G CA 1.094 46.228 45.100 0.057 0.000 0.776 65 G HN 0.551 nan 8.290 nan 0.000 0.552 66 R N -1.439 119.108 120.500 0.079 0.000 2.096 66 R HA -0.063 4.269 4.340 -0.013 0.000 0.235 66 R C 2.243 178.617 176.300 0.123 0.000 1.127 66 R CA 1.172 57.308 56.100 0.060 0.000 0.968 66 R CB -0.387 29.932 30.300 0.032 0.000 0.861 66 R HN 0.491 nan 8.270 nan 0.000 0.440 67 W N 1.453 122.727 121.300 -0.044 0.000 2.355 67 W HA -0.070 4.582 4.660 -0.012 0.000 0.309 67 W C 1.693 178.177 176.519 -0.057 0.000 1.206 67 W CA 0.933 58.249 57.345 -0.049 0.000 1.284 67 W CB -0.595 28.855 29.460 -0.017 0.000 1.145 67 W HN -0.034 nan 8.180 nan 0.000 0.502 68 I N 1.011 121.622 120.570 0.068 0.000 2.226 68 I HA -0.345 3.817 4.170 -0.013 0.000 0.245 68 I C 2.683 178.773 176.117 -0.044 0.000 1.100 68 I CA 2.046 63.305 61.300 -0.068 0.000 1.374 68 I CB -0.582 37.383 38.000 -0.059 0.000 1.057 68 I HN -0.018 nan 8.210 nan 0.000 0.413 69 R N 0.106 120.597 120.500 -0.015 0.000 2.148 69 R HA -0.038 4.295 4.340 -0.013 0.000 0.223 69 R C 1.948 178.204 176.300 -0.072 0.000 1.088 69 R CA 1.490 57.572 56.100 -0.030 0.000 0.985 69 R CB -1.224 29.060 30.300 -0.026 0.000 0.880 69 R HN 0.183 nan 8.270 nan 0.000 0.451 70 T N 1.679 116.169 114.554 -0.107 0.000 2.674 70 T HA -0.115 4.227 4.350 -0.013 0.000 0.265 70 T C 1.842 176.271 174.700 -0.452 0.000 1.039 70 T CA 1.394 63.321 62.100 -0.289 0.000 1.150 70 T CB -0.129 68.604 68.868 -0.224 0.000 0.864 70 T HN 0.245 nan 8.240 nan 0.000 0.427 71 Q N 0.803 120.474 119.800 -0.215 0.000 2.119 71 Q HA -0.090 4.243 4.340 -0.013 0.000 0.201 71 Q C 2.357 178.358 176.000 0.001 0.000 0.972 71 Q CA 1.292 57.038 55.803 -0.094 0.000 0.847 71 Q CB -0.521 28.194 28.738 -0.039 0.000 0.903 71 Q HN 0.520 nan 8.270 nan 0.000 0.433 72 Q N 0.281 120.074 119.800 -0.011 0.000 2.084 72 Q HA -0.184 4.149 4.340 -0.013 0.000 0.202 72 Q C 2.033 178.113 176.000 0.134 0.000 0.978 72 Q CA 1.586 57.426 55.803 0.062 0.000 0.844 72 Q CB -0.389 28.366 28.738 0.028 0.000 0.898 72 Q HN 0.570 nan 8.270 nan 0.000 0.426 73 H N -1.207 117.838 119.070 -0.043 0.000 2.352 73 H HA -0.182 4.366 4.556 -0.013 0.000 0.299 73 H C 1.202 176.595 175.328 0.108 0.000 1.097 73 H CA 1.893 57.930 56.048 -0.019 0.000 1.311 73 H CB 0.062 29.754 29.762 -0.118 0.000 1.377 73 H HN 0.379 nan 8.280 nan 0.000 0.504 74 Y N -0.455 119.887 120.300 0.070 0.000 2.293 74 Y HA -0.199 4.343 4.550 -0.013 0.000 0.291 74 Y C 2.568 178.491 175.900 0.039 0.000 1.137 74 Y CA 0.803 58.914 58.100 0.019 0.000 1.202 74 Y CB -1.336 37.187 38.460 0.106 0.000 0.990 74 Y HN 0.313 nan 8.280 nan 0.000 0.537 75 Y N 1.018 121.394 120.300 0.127 0.000 2.200 75 Y HA -0.179 4.364 4.550 -0.013 0.000 0.290 75 Y C 2.083 177.988 175.900 0.008 0.000 1.137 75 Y CA 1.808 59.944 58.100 0.061 0.000 1.163 75 Y CB -0.213 38.275 38.460 0.045 0.000 0.988 75 Y HN 0.165 nan 8.280 nan 0.000 0.518 76 E N -0.081 120.121 120.200 0.003 0.000 2.047 76 E HA -0.168 4.174 4.350 -0.013 0.000 0.191 76 E C 2.054 178.559 176.600 -0.158 0.000 0.987 76 E CA 1.252 57.593 56.400 -0.099 0.000 0.799 76 E CB -0.087 29.611 29.700 -0.004 0.000 0.752 76 E HN 0.387 nan 8.360 nan 0.000 0.449 77 K N 0.579 120.867 120.400 -0.187 0.000 2.366 77 K HA -0.079 4.234 4.320 -0.013 0.000 0.198 77 K C -0.019 176.506 176.600 -0.124 0.000 1.044 77 K CA 0.502 56.678 56.287 -0.184 0.000 0.973 77 K CB 0.083 32.393 32.500 -0.316 0.000 0.767 77 K HN 0.015 nan 8.250 nan 0.000 0.475 78 D N 1.138 121.474 120.400 -0.107 0.000 2.735 78 D HA -0.103 4.529 4.640 -0.013 0.000 0.235 78 D C -2.407 173.856 176.300 -0.061 0.000 1.175 78 D CA 0.093 54.044 54.000 -0.083 0.000 0.683 78 D CB -0.074 40.649 40.800 -0.128 0.000 1.008 78 D HN 0.174 nan 8.370 nan 0.000 0.416 79 P HA 0.106 nan 4.420 nan 0.000 0.277 79 P C -0.134 177.121 177.300 -0.075 0.000 1.271 79 P CA -0.597 62.463 63.100 -0.067 0.000 0.795 79 P CB 0.605 32.252 31.700 -0.090 0.000 1.101 80 K N 1.111 121.471 120.400 -0.066 0.000 2.451 80 K HA 0.055 4.367 4.320 -0.013 0.000 0.280 80 K C 0.050 176.568 176.600 -0.137 0.000 1.020 80 K CA 0.065 56.309 56.287 -0.073 0.000 1.008 80 K CB 0.218 32.693 32.500 -0.042 0.000 0.917 80 K HN 0.308 nan 8.250 nan 0.000 0.478 81 R N 4.000 124.407 120.500 -0.155 0.000 2.474 81 R HA 0.376 4.708 4.340 -0.013 0.000 0.295 81 R C -0.447 175.610 176.300 -0.406 0.000 0.980 81 R CA -0.855 55.078 56.100 -0.278 0.000 0.934 81 R CB 1.016 31.163 30.300 -0.256 0.000 1.101 81 R HN 0.491 nan 8.270 nan 0.000 0.469 82 I N 3.763 124.035 120.570 -0.497 0.000 2.339 82 I HA 0.229 4.392 4.170 -0.013 0.000 0.290 82 I C -0.723 175.118 176.117 -0.459 0.000 0.994 82 I CA -0.772 60.199 61.300 -0.549 0.000 1.191 82 I CB 0.936 38.486 38.000 -0.750 0.000 1.343 82 I HN 0.531 nan 8.210 nan 0.000 0.458 83 Y N 5.858 126.120 120.300 -0.062 0.000 2.356 83 Y HA 0.289 4.831 4.550 -0.013 0.000 0.334 83 Y C -0.298 175.698 175.900 0.160 0.000 0.958 83 Y CA -0.701 57.476 58.100 0.128 0.000 1.196 83 Y CB 1.208 39.694 38.460 0.043 0.000 1.137 83 Y HN 0.405 nan 8.280 nan 0.000 0.485 84 Y N 4.607 125.083 120.300 0.294 0.000 2.518 84 Y HA 0.475 5.017 4.550 -0.013 0.000 0.344 84 Y C -1.214 174.939 175.900 0.422 0.000 0.982 84 Y CA -0.945 57.333 58.100 0.295 0.000 1.234 84 Y CB 0.281 38.914 38.460 0.288 0.000 1.114 84 Y HN 0.520 nan 8.280 nan 0.000 0.515 85 L N 5.031 126.304 121.223 0.084 0.000 2.265 85 L HA 0.455 4.787 4.340 -0.013 0.000 0.288 85 L C -0.167 176.719 176.870 0.028 0.000 1.058 85 L CA 0.225 55.164 54.840 0.167 0.000 0.809 85 L CB 1.242 43.366 42.059 0.108 0.000 1.179 85 L HN 0.578 nan 8.230 nan 0.000 0.429 86 S N 2.525 118.324 115.700 0.166 0.000 2.536 86 S HA 0.503 4.965 4.470 -0.013 0.000 0.271 86 S C 0.265 174.936 174.600 0.119 0.000 1.134 86 S CA -0.530 57.658 58.200 -0.021 0.000 0.897 86 S CB 1.035 63.980 63.200 -0.425 0.000 1.094 86 S HN 0.485 nan 8.310 nan 0.000 0.473 87 L N 2.782 124.108 121.223 0.173 0.000 2.591 87 L HA 0.436 4.768 4.340 -0.013 0.000 0.228 87 L C 0.283 177.325 176.870 0.288 0.000 1.133 87 L CA 0.893 55.902 54.840 0.281 0.000 0.880 87 L CB -0.006 42.244 42.059 0.318 0.000 1.033 87 L HN 0.636 nan 8.230 nan 0.000 0.450 88 E N -1.138 119.103 120.200 0.068 0.000 2.275 88 E HA 0.389 4.731 4.350 -0.013 0.000 0.270 88 E C -1.405 175.067 176.600 -0.215 0.000 0.882 88 E CA -0.423 56.005 56.400 0.047 0.000 0.758 88 E CB 1.842 31.546 29.700 0.007 0.000 1.195 88 E HN -0.158 nan 8.360 nan 0.000 0.419 89 F N 2.244 122.294 119.950 0.166 0.000 2.716 89 F HA 0.199 4.718 4.527 -0.013 0.000 0.354 89 F C -0.842 175.041 175.800 0.138 0.000 1.168 89 F CA -0.784 57.304 58.000 0.147 0.000 1.045 89 F CB 1.024 40.102 39.000 0.129 0.000 1.311 89 F HN 0.476 nan 8.300 nan 0.000 0.477 90 Y N 5.397 125.775 120.300 0.129 0.000 2.691 90 Y HA 0.256 4.798 4.550 -0.012 0.000 0.338 90 Y C 0.761 176.680 175.900 0.032 0.000 1.148 90 Y CA -1.085 57.040 58.100 0.041 0.000 1.430 90 Y CB 0.442 38.910 38.460 0.013 0.000 1.303 90 Y HN 0.561 nan 8.280 nan 0.000 0.499 91 M N 1.501 121.220 119.600 0.198 0.000 2.435 91 M HA 0.153 4.625 4.480 -0.013 0.000 0.265 91 M C 1.536 177.802 176.300 -0.057 0.000 1.104 91 M CA 0.973 56.300 55.300 0.046 0.000 1.140 91 M CB -1.040 31.566 32.600 0.010 0.000 1.372 91 M HN 0.701 nan 8.290 nan 0.000 0.456 92 G N 1.524 110.295 108.800 -0.049 0.000 2.569 92 G HA2 -0.282 3.670 3.960 -0.013 0.000 0.259 92 G HA3 -0.282 3.670 3.960 -0.013 0.000 0.259 92 G C -0.205 174.641 174.900 -0.089 0.000 1.263 92 G CA -0.272 44.764 45.100 -0.107 0.000 0.928 92 G HN 0.443 nan 8.290 nan 0.000 0.572 93 R N -0.731 119.700 120.500 -0.116 0.000 2.531 93 R HA 0.559 4.891 4.340 -0.013 0.000 0.273 93 R C 1.079 177.262 176.300 -0.195 0.000 1.070 93 R CA 0.302 56.345 56.100 -0.096 0.000 1.112 93 R CB 0.711 30.961 30.300 -0.083 0.000 1.049 93 R HN 0.518 nan 8.270 nan 0.000 0.508 94 T N 1.138 115.531 114.554 -0.267 0.000 2.969 94 T HA -0.006 4.336 4.350 -0.013 0.000 0.250 94 T C 1.426 175.755 174.700 -0.619 0.000 1.021 94 T CA -0.107 61.623 62.100 -0.616 0.000 1.003 94 T CB 0.151 68.287 68.868 -1.220 0.000 1.040 94 T HN 0.334 nan 8.240 nan 0.000 0.492 95 L N 1.834 122.924 121.223 -0.222 0.000 1.976 95 L HA 0.013 4.345 4.340 -0.013 0.000 0.209 95 L C 2.451 179.288 176.870 -0.055 0.000 1.071 95 L CA 1.989 56.846 54.840 0.029 0.000 0.746 95 L CB -0.637 41.648 42.059 0.377 0.000 0.890 95 L HN 0.155 nan 8.230 nan 0.000 0.432 96 Q N -0.706 119.059 119.800 -0.059 0.000 2.124 96 Q HA -0.247 4.085 4.340 -0.013 0.000 0.202 96 Q C 2.206 178.132 176.000 -0.124 0.000 0.977 96 Q CA 1.749 57.508 55.803 -0.073 0.000 0.850 96 Q CB -0.295 28.399 28.738 -0.073 0.000 0.901 96 Q HN 0.705 nan 8.270 nan 0.000 0.429 97 N N -0.944 117.642 118.700 -0.189 0.000 2.149 97 N HA -0.143 4.589 4.740 -0.013 0.000 0.188 97 N C 1.311 176.710 175.510 -0.185 0.000 1.019 97 N CA 1.737 54.666 53.050 -0.203 0.000 0.857 97 N CB 0.095 38.427 38.487 -0.257 0.000 0.997 97 N HN 0.213 nan 8.380 nan 0.000 0.426 98 T N 1.207 115.618 114.554 -0.238 0.000 2.777 98 T HA -0.039 4.303 4.350 -0.013 0.000 0.266 98 T C 2.072 176.704 174.700 -0.112 0.000 1.040 98 T CA 0.963 62.938 62.100 -0.207 0.000 1.141 98 T CB -0.041 68.657 68.868 -0.283 0.000 0.868 98 T HN 0.251 nan 8.240 nan 0.000 0.444 99 M N 0.604 120.154 119.600 -0.083 0.000 2.086 99 M HA -0.100 4.372 4.480 -0.013 0.000 0.261 99 M C 2.496 178.759 176.300 -0.061 0.000 1.067 99 M CA 1.308 56.573 55.300 -0.058 0.000 1.116 99 M CB -0.720 31.861 32.600 -0.032 0.000 1.348 99 M HN 0.093 nan 8.290 nan 0.000 0.407 100 V N 1.149 121.032 119.914 -0.051 0.000 2.252 100 V HA -0.316 3.796 4.120 -0.013 0.000 0.249 100 V C 1.840 177.934 176.094 -0.000 0.000 1.056 100 V CA 2.175 64.470 62.300 -0.008 0.000 1.022 100 V CB -0.963 30.860 31.823 0.000 0.000 0.641 100 V HN 0.487 nan 8.190 nan 0.000 0.445 101 N N -0.465 118.222 118.700 -0.020 0.000 2.453 101 N HA -0.052 4.680 4.740 -0.013 0.000 0.183 101 N C 1.076 176.487 175.510 -0.166 0.000 1.041 101 N CA 0.736 53.754 53.050 -0.053 0.000 0.900 101 N CB -0.145 38.322 38.487 -0.033 0.000 0.961 101 N HN 0.290 nan 8.380 nan 0.000 0.443 102 L N -0.240 120.905 121.223 -0.129 0.000 2.640 102 L HA 0.398 4.730 4.340 -0.013 0.000 0.230 102 L C 0.570 177.361 176.870 -0.132 0.000 1.123 102 L CA -0.267 54.499 54.840 -0.122 0.000 0.900 102 L CB -0.854 41.158 42.059 -0.079 0.000 1.146 102 L HN 0.099 nan 8.230 nan 0.000 0.484 103 A N -0.383 122.352 122.820 -0.143 0.000 2.846 103 A HA -0.225 4.087 4.320 -0.013 0.000 0.287 103 A C 1.153 178.682 177.584 -0.091 0.000 1.469 103 A CA 1.138 53.103 52.037 -0.120 0.000 0.757 103 A CB -2.005 16.910 19.000 -0.141 0.000 1.033 103 A HN 0.327 nan 8.150 nan 0.000 0.516 104 L N -1.617 119.553 121.223 -0.088 0.000 2.766 104 L HA 0.156 4.488 4.340 -0.013 0.000 0.242 104 L C 1.951 178.783 176.870 -0.063 0.000 1.136 104 L CA 0.734 55.518 54.840 -0.094 0.000 0.933 104 L CB 0.112 42.089 42.059 -0.136 0.000 1.241 104 L HN 0.667 nan 8.230 nan 0.000 0.522 105 E N 0.713 120.885 120.200 -0.047 0.000 2.051 105 E HA -0.228 4.115 4.350 -0.013 0.000 0.192 105 E C 1.669 178.253 176.600 -0.026 0.000 0.991 105 E CA 1.385 57.767 56.400 -0.030 0.000 0.799 105 E CB 0.277 29.962 29.700 -0.024 0.000 0.748 105 E HN 0.397 nan 8.360 nan 0.000 0.449 106 N N 0.132 118.814 118.700 -0.031 0.000 2.142 106 N HA -0.123 4.610 4.740 -0.013 0.000 0.186 106 N C 1.596 177.087 175.510 -0.031 0.000 1.023 106 N CA 1.222 54.253 53.050 -0.032 0.000 0.852 106 N CB -0.393 38.074 38.487 -0.032 0.000 0.998 106 N HN 0.215 nan 8.380 nan 0.000 0.424 107 A N 0.568 123.368 122.820 -0.033 0.000 1.883 107 A HA -0.161 4.151 4.320 -0.013 0.000 0.217 107 A C 2.682 180.254 177.584 -0.021 0.000 1.186 107 A CA 1.455 53.475 52.037 -0.028 0.000 0.624 107 A CB -1.069 17.908 19.000 -0.039 0.000 0.822 107 A HN 0.445 nan 8.150 nan 0.000 0.444 108 C N -0.858 118.429 119.300 -0.022 0.000 2.425 108 C HA -0.076 4.376 4.460 -0.013 0.000 0.277 108 C C 2.475 177.464 174.990 -0.001 0.000 1.280 108 C CA 1.055 60.070 59.018 -0.004 0.000 1.744 108 C CB -1.167 26.581 27.740 0.012 0.000 1.989 108 C HN 0.668 nan 8.230 nan 0.000 0.491 109 D N 0.665 121.063 120.400 -0.003 0.000 2.104 109 D HA -0.149 4.483 4.640 -0.013 0.000 0.194 109 D C 2.129 178.439 176.300 0.016 0.000 0.994 109 D CA 1.584 55.586 54.000 0.002 0.000 0.830 109 D CB -0.288 40.502 40.800 -0.017 0.000 0.959 109 D HN 0.456 nan 8.370 nan 0.000 0.452 110 E N 0.387 120.587 120.200 -0.001 0.000 2.031 110 E HA -0.089 4.253 4.350 -0.013 0.000 0.193 110 E C 1.895 178.526 176.600 0.051 0.000 0.994 110 E CA 1.705 58.118 56.400 0.022 0.000 0.800 110 E CB -0.626 29.071 29.700 -0.005 0.000 0.752 110 E HN 0.210 nan 8.360 nan 0.000 0.447 111 A N -0.147 122.674 122.820 0.002 0.000 1.883 111 A HA -0.239 4.073 4.320 -0.013 0.000 0.217 111 A C 2.507 180.021 177.584 -0.116 0.000 1.186 111 A CA 3.096 55.109 52.037 -0.041 0.000 0.624 111 A CB -1.515 17.463 19.000 -0.037 0.000 0.822 111 A HN 0.532 nan 8.150 nan 0.000 0.444 112 T N -3.763 110.718 114.554 -0.120 0.000 2.821 112 T HA -0.207 4.136 4.350 -0.013 0.000 0.267 112 T C 1.847 176.469 174.700 -0.131 0.000 1.046 112 T CA 1.494 63.468 62.100 -0.210 0.000 1.139 112 T CB -0.618 68.169 68.868 -0.136 0.000 0.871 112 T HN 0.463 nan 8.240 nan 0.000 0.454 113 Y N 2.275 122.496 120.300 -0.131 0.000 2.128 113 Y HA -0.160 4.383 4.550 -0.012 0.000 0.284 113 Y C 2.658 178.495 175.900 -0.106 0.000 1.154 113 Y CA 1.770 59.811 58.100 -0.100 0.000 1.149 113 Y CB -0.520 37.900 38.460 -0.066 0.000 0.976 113 Y HN 0.252 nan 8.280 nan 0.000 0.505 114 Q N -0.970 118.792 119.800 -0.063 0.000 2.291 114 Q HA -0.123 4.209 4.340 -0.013 0.000 0.205 114 Q C 1.525 177.408 176.000 -0.195 0.000 0.970 114 Q CA 0.809 56.535 55.803 -0.129 0.000 0.876 114 Q CB -0.048 28.678 28.738 -0.020 0.000 0.935 114 Q HN 0.362 nan 8.270 nan 0.000 0.455 115 L N -1.057 120.024 121.223 -0.238 0.000 2.591 115 L HA 0.145 4.477 4.340 -0.013 0.000 0.228 115 L C 1.174 177.875 176.870 -0.281 0.000 1.133 115 L CA 1.265 55.942 54.840 -0.272 0.000 0.880 115 L CB -0.277 41.527 42.059 -0.425 0.000 1.033 115 L HN 0.325 nan 8.230 nan 0.000 0.450 116 G N -0.376 108.242 108.800 -0.303 0.000 2.132 116 G HA2 -0.228 3.724 3.960 -0.013 0.000 0.228 116 G HA3 -0.228 3.724 3.960 -0.013 0.000 0.228 116 G C 0.072 174.824 174.900 -0.246 0.000 1.000 116 G CA 0.202 45.133 45.100 -0.283 0.000 0.693 116 G HN 0.273 nan 8.290 nan 0.000 0.515 117 L N -0.167 120.907 121.223 -0.247 0.000 2.333 117 L HA 0.666 4.998 4.340 -0.013 0.000 0.269 117 L C -0.569 176.259 176.870 -0.071 0.000 1.010 117 L CA -1.190 53.539 54.840 -0.186 0.000 0.818 117 L CB 1.831 43.725 42.059 -0.275 0.000 1.306 117 L HN 0.063 nan 8.230 nan 0.000 0.430 118 D N 1.715 122.105 120.400 -0.016 0.000 2.373 118 D HA 0.200 4.832 4.640 -0.013 0.000 0.227 118 D C 0.576 176.903 176.300 0.045 0.000 1.091 118 D CA -0.285 53.735 54.000 0.034 0.000 0.840 118 D CB 1.589 42.415 40.800 0.042 0.000 1.060 118 D HN 0.507 nan 8.370 nan 0.000 0.502 119 M N 3.119 122.748 119.600 0.048 0.000 2.159 119 M HA -0.144 4.329 4.480 -0.013 0.000 0.263 119 M C 1.300 177.640 176.300 0.067 0.000 1.063 119 M CA 1.577 56.914 55.300 0.062 0.000 1.110 119 M CB 0.213 32.843 32.600 0.051 0.000 1.374 119 M HN 0.410 nan 8.290 nan 0.000 0.411 120 E N -0.253 119.977 120.200 0.050 0.000 2.153 120 E HA -0.251 4.091 4.350 -0.013 0.000 0.194 120 E C 1.847 178.474 176.600 0.046 0.000 0.988 120 E CA 1.357 57.782 56.400 0.042 0.000 0.811 120 E CB -0.140 29.580 29.700 0.035 0.000 0.746 120 E HN 0.635 nan 8.360 nan 0.000 0.466 121 E N 0.458 120.691 120.200 0.054 0.000 2.072 121 E HA -0.194 4.148 4.350 -0.013 0.000 0.191 121 E C 1.868 178.505 176.600 0.062 0.000 0.985 121 E CA 0.613 57.046 56.400 0.056 0.000 0.801 121 E CB 0.177 29.913 29.700 0.059 0.000 0.750 121 E HN 0.089 nan 8.360 nan 0.000 0.452 122 L N 1.500 122.780 121.223 0.096 0.000 2.093 122 L HA -0.118 4.215 4.340 -0.013 0.000 0.208 122 L C 2.086 179.009 176.870 0.088 0.000 1.085 122 L CA 1.589 56.516 54.840 0.145 0.000 0.755 122 L CB -0.735 41.464 42.059 0.233 0.000 0.904 122 L HN 0.151 nan 8.230 nan 0.000 0.435 123 E N -0.606 119.638 120.200 0.073 0.000 2.160 123 E HA -0.208 4.134 4.350 -0.013 0.000 0.195 123 E C 1.808 178.365 176.600 -0.073 0.000 0.991 123 E CA 0.883 57.297 56.400 0.024 0.000 0.810 123 E CB 0.041 29.760 29.700 0.031 0.000 0.742 123 E HN 0.422 nan 8.360 nan 0.000 0.466 124 E N 0.167 120.337 120.200 -0.050 0.000 2.418 124 E HA -0.105 4.237 4.350 -0.013 0.000 0.197 124 E C 1.870 178.397 176.600 -0.121 0.000 1.026 124 E CA 0.499 56.867 56.400 -0.053 0.000 0.862 124 E CB 0.063 29.767 29.700 0.007 0.000 0.799 124 E HN 0.412 nan 8.360 nan 0.000 0.518 125 I N 0.887 121.323 120.570 -0.224 0.000 2.500 125 I HA -0.117 4.045 4.170 -0.013 0.000 0.252 125 I C 1.408 177.211 176.117 -0.523 0.000 1.142 125 I CA 0.253 61.353 61.300 -0.332 0.000 1.451 125 I CB 0.072 37.883 38.000 -0.315 0.000 1.093 125 I HN -0.014 nan 8.210 nan 0.000 0.430 126 E N 2.649 122.407 120.200 -0.737 0.000 2.414 126 E HA -0.057 4.285 4.350 -0.013 0.000 0.263 126 E C -0.225 176.275 176.600 -0.167 0.000 1.000 126 E CA -0.154 55.889 56.400 -0.595 0.000 0.914 126 E CB 0.600 30.072 29.700 -0.381 0.000 0.948 126 E HN 0.087 nan 8.360 nan 0.000 0.444 127 E N 3.397 123.596 120.200 -0.001 0.000 2.354 127 E HA 0.066 4.409 4.350 -0.013 0.000 0.269 127 E C -0.797 175.898 176.600 0.157 0.000 1.036 127 E CA -0.266 56.215 56.400 0.135 0.000 0.876 127 E CB 0.731 30.603 29.700 0.286 0.000 1.009 127 E HN 0.492 nan 8.360 nan 0.000 0.416 128 D N 0.753 121.219 120.400 0.110 0.000 2.455 128 D HA 0.138 4.770 4.640 -0.013 0.000 0.241 128 D C -0.329 176.000 176.300 0.049 0.000 1.138 128 D CA 0.216 54.254 54.000 0.062 0.000 0.877 128 D CB 0.567 41.384 40.800 0.030 0.000 1.187 128 D HN 0.369 nan 8.370 nan 0.000 0.451 129 A N 2.424 125.219 122.820 -0.041 0.000 2.671 129 A HA 0.468 4.780 4.320 -0.013 0.000 0.306 129 A C 1.038 178.456 177.584 -0.277 0.000 1.473 129 A CA -0.386 51.419 52.037 -0.386 0.000 1.155 129 A CB -0.231 18.604 19.000 -0.274 0.000 1.123 129 A HN 0.539 nan 8.150 nan 0.000 0.545 130 G N 2.130 110.721 108.800 -0.348 0.000 3.741 130 G HA2 0.411 4.363 3.960 -0.013 0.000 0.263 130 G HA3 0.411 4.363 3.960 -0.013 0.000 0.263 130 G C 0.325 175.045 174.900 -0.300 0.000 1.175 130 G CA -0.296 44.719 45.100 -0.141 0.000 1.642 130 G HN 0.697 nan 8.290 nan 0.000 0.644 131 L N 1.201 122.288 121.223 -0.227 0.000 2.862 131 L HA 0.384 4.716 4.340 -0.013 0.000 0.240 131 L C 1.060 177.882 176.870 -0.081 0.000 1.283 131 L CA -0.195 54.601 54.840 -0.074 0.000 1.117 131 L CB -0.342 41.781 42.059 0.107 0.000 1.444 131 L HN 0.318 nan 8.230 nan 0.000 0.456 132 G N -1.312 107.220 108.800 -0.447 0.000 2.608 132 G HA2 0.200 4.152 3.960 -0.013 0.000 0.291 132 G HA3 0.200 4.152 3.960 -0.013 0.000 0.291 132 G C -0.164 174.233 174.900 -0.838 0.000 1.425 132 G CA -0.450 44.337 45.100 -0.522 0.000 0.787 132 G HN -0.105 nan 8.290 nan 0.000 0.484 133 N N -0.825 117.601 118.700 -0.456 0.000 2.436 133 N HA 0.219 4.951 4.740 -0.013 0.000 0.178 133 N C 1.134 176.593 175.510 -0.085 0.000 1.026 133 N CA 1.310 54.192 53.050 -0.280 0.000 0.880 133 N CB 1.222 39.662 38.487 -0.078 0.000 1.061 133 N HN 0.834 nan 8.380 nan 0.000 0.434 134 G N -0.738 108.105 108.800 0.072 0.000 2.818 134 G HA2 0.227 4.180 3.960 -0.013 0.000 0.109 134 G HA3 0.227 4.180 3.960 -0.013 0.000 0.109 134 G C 0.678 175.707 174.900 0.215 0.000 1.206 134 G CA 0.231 45.484 45.100 0.256 0.000 1.243 134 G HN 0.154 nan 8.290 nan 0.000 0.609 135 G N 0.326 109.193 108.800 0.110 0.000 2.418 135 G HA2 -0.038 3.914 3.960 -0.013 0.000 0.217 135 G HA3 -0.038 3.914 3.960 -0.013 0.000 0.217 135 G C 1.876 176.776 174.900 0.001 0.000 1.158 135 G CA 1.447 46.577 45.100 0.051 0.000 0.771 135 G HN 0.784 nan 8.290 nan 0.000 0.545 136 L N 0.597 121.790 121.223 -0.050 0.000 2.046 136 L HA 0.102 4.434 4.340 -0.013 0.000 0.208 136 L C 2.766 179.565 176.870 -0.118 0.000 1.077 136 L CA 1.936 56.656 54.840 -0.200 0.000 0.747 136 L CB -0.510 41.359 42.059 -0.316 0.000 0.896 136 L HN 0.227 nan 8.230 nan 0.000 0.432 137 G N -0.627 108.162 108.800 -0.018 0.000 2.403 137 G HA2 -0.281 3.671 3.960 -0.013 0.000 0.216 137 G HA3 -0.281 3.671 3.960 -0.013 0.000 0.216 137 G C 1.639 176.619 174.900 0.133 0.000 1.154 137 G CA 0.633 45.750 45.100 0.027 0.000 0.784 137 G HN 0.304 nan 8.290 nan 0.000 0.538 138 R N -0.013 120.598 120.500 0.186 0.000 2.115 138 R HA 0.161 4.493 4.340 -0.013 0.000 0.226 138 R C 2.278 178.595 176.300 0.028 0.000 1.100 138 R CA 0.710 56.894 56.100 0.139 0.000 0.980 138 R CB -0.864 29.483 30.300 0.078 0.000 0.875 138 R HN 0.310 nan 8.270 nan 0.000 0.445 139 L N 0.297 121.468 121.223 -0.086 0.000 2.012 139 L HA -0.048 4.285 4.340 -0.013 0.000 0.210 139 L C 2.115 178.707 176.870 -0.463 0.000 1.073 139 L CA 2.235 56.881 54.840 -0.324 0.000 0.748 139 L CB -0.899 40.932 42.059 -0.381 0.000 0.891 139 L HN 0.268 nan 8.230 nan 0.000 0.431 140 A N -0.630 122.052 122.820 -0.229 0.000 1.908 140 A HA -0.203 4.109 4.320 -0.013 0.000 0.218 140 A C 2.438 180.094 177.584 0.121 0.000 1.181 140 A CA 2.085 54.072 52.037 -0.083 0.000 0.627 140 A CB -1.198 17.731 19.000 -0.119 0.000 0.818 140 A HN 0.589 nan 8.150 nan 0.000 0.445 141 A N -1.122 121.797 122.820 0.165 0.000 1.873 141 A HA -0.145 4.167 4.320 -0.013 0.000 0.215 141 A C 2.322 179.985 177.584 0.131 0.000 1.186 141 A CA 1.620 53.772 52.037 0.191 0.000 0.616 141 A CB -1.280 17.820 19.000 0.167 0.000 0.823 141 A HN 0.607 nan 8.150 nan 0.000 0.442 142 C N -1.423 117.957 119.300 0.133 0.000 2.429 142 C HA -0.082 4.370 4.460 -0.013 0.000 0.277 142 C C 2.430 177.588 174.990 0.281 0.000 1.262 142 C CA 0.672 59.807 59.018 0.194 0.000 1.733 142 C CB -1.647 26.231 27.740 0.229 0.000 2.010 142 C HN 0.602 nan 8.230 nan 0.000 0.483 143 F N 1.205 121.146 119.950 -0.015 0.000 2.126 143 F HA -0.091 4.428 4.527 -0.013 0.000 0.299 143 F C 2.252 177.994 175.800 -0.097 0.000 1.096 143 F CA 1.052 58.990 58.000 -0.103 0.000 1.255 143 F CB -1.395 37.418 39.000 -0.313 0.000 0.997 143 F HN 0.196 nan 8.300 nan 0.000 0.479 144 L N -0.391 120.904 121.223 0.119 0.000 2.042 144 L HA -0.258 4.075 4.340 -0.013 0.000 0.210 144 L C 2.166 179.042 176.870 0.010 0.000 1.076 144 L CA 1.969 56.831 54.840 0.035 0.000 0.749 144 L CB -0.781 41.295 42.059 0.028 0.000 0.893 144 L HN 0.115 nan 8.230 nan 0.000 0.432 145 D N -0.497 119.920 120.400 0.029 0.000 2.097 145 D HA -0.176 4.457 4.640 -0.013 0.000 0.195 145 D C 2.201 178.515 176.300 0.023 0.000 0.989 145 D CA 1.547 55.551 54.000 0.008 0.000 0.827 145 D CB 0.192 40.996 40.800 0.007 0.000 0.966 145 D HN 0.089 nan 8.370 nan 0.000 0.456 146 S N -0.625 115.106 115.700 0.051 0.000 2.368 146 S HA -0.138 4.324 4.470 -0.013 0.000 0.225 146 S C 2.011 176.621 174.600 0.016 0.000 1.030 146 S CA 0.989 59.210 58.200 0.036 0.000 0.999 146 S CB -0.252 62.974 63.200 0.045 0.000 0.844 146 S HN 0.348 nan 8.310 nan 0.000 0.459 147 M N 1.015 120.617 119.600 0.004 0.000 2.159 147 M HA -0.107 4.365 4.480 -0.013 0.000 0.263 147 M C 2.456 178.756 176.300 -0.001 0.000 1.063 147 M CA 1.454 56.754 55.300 -0.001 0.000 1.110 147 M CB -0.533 32.046 32.600 -0.034 0.000 1.374 147 M HN 0.399 nan 8.290 nan 0.000 0.411 148 A N -0.289 122.526 122.820 -0.008 0.000 1.897 148 A HA -0.109 4.203 4.320 -0.013 0.000 0.215 148 A C 2.175 179.770 177.584 0.019 0.000 1.181 148 A CA 1.946 53.982 52.037 -0.002 0.000 0.620 148 A CB -1.030 17.951 19.000 -0.031 0.000 0.821 148 A HN 0.415 nan 8.150 nan 0.000 0.443 149 T N 0.330 114.900 114.554 0.028 0.000 2.833 149 T HA -0.002 4.340 4.350 -0.013 0.000 0.269 149 T C 1.296 176.023 174.700 0.046 0.000 1.054 149 T CA 1.138 63.269 62.100 0.050 0.000 1.135 149 T CB -0.270 68.635 68.868 0.062 0.000 0.869 149 T HN 0.349 nan 8.240 nan 0.000 0.466 150 L N 0.362 121.608 121.223 0.039 0.000 2.653 150 L HA 0.322 4.655 4.340 -0.013 0.000 0.231 150 L C 1.629 178.529 176.870 0.050 0.000 1.153 150 L CA -0.058 54.807 54.840 0.042 0.000 0.933 150 L CB -0.335 41.749 42.059 0.041 0.000 1.175 150 L HN 0.388 nan 8.230 nan 0.000 0.473 151 G N 1.044 109.876 108.800 0.053 0.000 2.198 151 G HA2 -0.283 3.670 3.960 -0.013 0.000 0.260 151 G HA3 -0.283 3.670 3.960 -0.013 0.000 0.260 151 G C 0.114 175.064 174.900 0.083 0.000 1.025 151 G CA 0.006 45.154 45.100 0.080 0.000 0.769 151 G HN 0.279 nan 8.290 nan 0.000 0.507 152 L N -0.026 121.217 121.223 0.034 0.000 2.350 152 L HA 0.604 4.937 4.340 -0.013 0.000 0.275 152 L C 1.246 178.010 176.870 -0.176 0.000 1.099 152 L CA -0.317 54.499 54.840 -0.041 0.000 0.808 152 L CB 1.539 43.584 42.059 -0.023 0.000 1.149 152 L HN 0.259 nan 8.230 nan 0.000 0.442 153 A N 3.111 125.693 122.820 -0.396 0.000 2.981 153 A HA 0.553 4.865 4.320 -0.013 0.000 0.280 153 A C 0.284 177.533 177.584 -0.559 0.000 1.743 153 A CA -0.130 51.401 52.037 -0.844 0.000 1.430 153 A CB -0.682 17.684 19.000 -1.056 0.000 1.085 153 A HN 0.696 nan 8.150 nan 0.000 0.597 154 A N 1.484 124.018 122.820 -0.477 0.000 2.355 154 A HA 0.805 5.118 4.320 -0.013 0.000 0.324 154 A C -1.040 176.281 177.584 -0.439 0.000 1.117 154 A CA -0.482 51.341 52.037 -0.358 0.000 0.785 154 A CB 0.846 19.702 19.000 -0.239 0.000 1.254 154 A HN 0.617 nan 8.150 nan 0.000 0.453 155 Y N 0.293 120.520 120.300 -0.122 0.000 2.373 155 Y HA 0.541 5.083 4.550 -0.013 0.000 0.336 155 Y C 0.834 176.822 175.900 0.146 0.000 0.979 155 Y CA -0.574 57.533 58.100 0.012 0.000 1.080 155 Y CB 2.433 40.992 38.460 0.166 0.000 1.190 155 Y HN 0.843 nan 8.280 nan 0.000 0.446 156 G N 2.112 111.000 108.800 0.147 0.000 2.338 156 G HA2 0.461 4.413 3.960 -0.013 0.000 0.298 156 G HA3 0.461 4.413 3.960 -0.013 0.000 0.298 156 G C -1.777 173.156 174.900 0.055 0.000 1.140 156 G CA -0.255 44.970 45.100 0.208 0.000 0.860 156 G HN 0.533 nan 8.290 nan 0.000 0.470 157 Y N 0.823 121.353 120.300 0.384 0.000 2.361 157 Y HA 0.628 5.170 4.550 -0.013 0.000 0.337 157 Y C 0.731 176.934 175.900 0.505 0.000 0.965 157 Y CA 0.176 58.471 58.100 0.324 0.000 1.091 157 Y CB 2.717 41.389 38.460 0.355 0.000 1.182 157 Y HN 0.891 nan 8.280 nan 0.000 0.450 158 G N 2.289 111.408 108.800 0.531 0.000 2.753 158 G HA2 0.599 4.552 3.960 -0.013 0.000 0.303 158 G HA3 0.599 4.552 3.960 -0.013 0.000 0.303 158 G C -1.799 173.332 174.900 0.385 0.000 1.242 158 G CA -0.825 44.607 45.100 0.553 0.000 0.810 158 G HN 0.432 nan 8.290 nan 0.000 0.515 159 I N 0.576 121.266 120.570 0.200 0.000 2.441 159 I HA 0.433 4.595 4.170 -0.013 0.000 0.295 159 I C 0.312 176.338 176.117 -0.152 0.000 0.994 159 I CA -0.715 60.601 61.300 0.026 0.000 1.144 159 I CB 2.211 40.054 38.000 -0.262 0.000 1.314 159 I HN 0.337 nan 8.210 nan 0.000 0.445 160 R N 6.134 126.646 120.500 0.021 0.000 2.608 160 R HA 0.223 4.555 4.340 -0.013 0.000 0.277 160 R C -1.275 175.084 176.300 0.098 0.000 1.341 160 R CA -0.421 55.722 56.100 0.071 0.000 1.199 160 R CB -0.026 30.292 30.300 0.029 0.000 1.156 160 R HN 0.401 nan 8.270 nan 0.000 0.558 161 Y N 1.572 122.037 120.300 0.274 0.000 2.425 161 Y HA -0.071 4.471 4.550 -0.013 0.000 0.331 161 Y C 1.595 177.683 175.900 0.312 0.000 1.157 161 Y CA 0.014 58.268 58.100 0.256 0.000 1.372 161 Y CB 0.835 39.423 38.460 0.214 0.000 1.253 161 Y HN 0.591 nan 8.280 nan 0.000 0.536 162 E N 2.191 122.589 120.200 0.329 0.000 2.106 162 E HA -0.090 4.252 4.350 -0.013 0.000 0.192 162 E C -0.737 175.767 176.600 -0.160 0.000 0.984 162 E CA 0.805 57.206 56.400 0.002 0.000 0.806 162 E CB 0.157 29.772 29.700 -0.142 0.000 0.750 162 E HN 0.504 nan 8.360 nan 0.000 0.458 163 F N -0.295 119.871 119.950 0.360 0.000 2.477 163 F HA 0.440 4.959 4.527 -0.013 0.000 0.335 163 F C 0.777 176.669 175.800 0.153 0.000 1.130 163 F CA -0.811 57.359 58.000 0.284 0.000 0.948 163 F CB 1.868 40.966 39.000 0.163 0.000 1.154 163 F HN -0.096 nan 8.300 nan 0.000 0.439 164 G N 1.868 110.787 108.800 0.198 0.000 2.582 164 G HA2 0.327 4.279 3.960 -0.013 0.000 0.232 164 G HA3 0.327 4.279 3.960 -0.013 0.000 0.232 164 G C -0.496 174.374 174.900 -0.050 0.000 1.458 164 G CA -0.654 44.410 45.100 -0.059 0.000 1.062 164 G HN 0.545 nan 8.290 nan 0.000 0.566 165 I N 1.022 121.488 120.570 -0.173 0.000 2.683 165 I HA 0.210 4.372 4.170 -0.013 0.000 0.286 165 I C 0.526 176.556 176.117 -0.146 0.000 1.175 165 I CA -1.082 60.080 61.300 -0.229 0.000 1.429 165 I CB -0.301 37.466 38.000 -0.388 0.000 1.371 165 I HN 0.323 nan 8.210 nan 0.000 0.569 166 F N 6.143 126.113 119.950 0.033 0.000 2.628 166 F HA 0.228 4.747 4.527 -0.013 0.000 0.362 166 F C 0.560 176.418 175.800 0.097 0.000 1.148 166 F CA -0.597 57.444 58.000 0.069 0.000 1.352 166 F CB -0.382 38.646 39.000 0.047 0.000 1.081 166 F HN 0.422 nan 8.300 nan 0.000 0.605 167 N N 2.238 121.125 118.700 0.312 0.000 2.497 167 N HA 0.032 4.765 4.740 -0.013 0.000 0.271 167 N C -0.735 175.021 175.510 0.409 0.000 1.142 167 N CA -0.227 52.983 53.050 0.268 0.000 0.965 167 N CB 1.080 39.705 38.487 0.229 0.000 1.077 167 N HN 0.758 nan 8.380 nan 0.000 0.462 168 Q N 2.542 122.557 119.800 0.358 0.000 2.303 168 Q HA 0.166 4.498 4.340 -0.013 0.000 0.257 168 Q C -0.942 175.229 176.000 0.284 0.000 0.941 168 Q CA -0.473 55.568 55.803 0.396 0.000 0.931 168 Q CB 0.672 29.653 28.738 0.404 0.000 1.215 168 Q HN 0.238 nan 8.270 nan 0.000 0.437 169 K N 4.018 124.559 120.400 0.235 0.000 2.203 169 K HA 0.486 4.798 4.320 -0.013 0.000 0.251 169 K C -0.549 176.150 176.600 0.166 0.000 0.944 169 K CA -0.899 55.504 56.287 0.193 0.000 0.829 169 K CB 1.548 34.140 32.500 0.154 0.000 1.125 169 K HN 0.618 nan 8.250 nan 0.000 0.430 170 I N 1.698 122.357 120.570 0.148 0.000 2.355 170 I HA 0.170 4.333 4.170 -0.013 0.000 0.288 170 I C -0.188 175.984 176.117 0.091 0.000 0.999 170 I CA -0.755 60.600 61.300 0.092 0.000 1.163 170 I CB 1.041 39.074 38.000 0.054 0.000 1.316 170 I HN 0.492 nan 8.210 nan 0.000 0.454 171 C N 5.241 124.606 119.300 0.107 0.000 2.346 171 C HA 0.644 5.096 4.460 -0.013 0.000 0.326 171 C C 1.180 176.268 174.990 0.164 0.000 1.224 171 C CA 0.295 59.385 59.018 0.119 0.000 1.408 171 C CB -0.118 27.691 27.740 0.115 0.000 2.089 171 C HN 1.115 nan 8.230 nan 0.000 0.456 172 G N 4.071 112.937 108.800 0.110 0.000 2.258 172 G HA2 0.087 4.040 3.960 -0.013 0.000 0.274 172 G HA3 0.087 4.040 3.960 -0.013 0.000 0.274 172 G C 1.237 176.117 174.900 -0.034 0.000 1.021 172 G CA 1.204 46.368 45.100 0.106 0.000 0.798 172 G HN 2.654 nan 8.290 nan 0.000 0.507 173 G N -2.966 105.764 108.800 -0.117 0.000 2.179 173 G HA2 -0.287 3.666 3.960 -0.013 0.000 0.260 173 G HA3 -0.287 3.666 3.960 -0.013 0.000 0.260 173 G C 0.328 174.946 174.900 -0.471 0.000 0.977 173 G CA 0.613 45.512 45.100 -0.334 0.000 0.641 173 G HN 1.198 nan 8.290 nan 0.000 0.533 174 W N 0.808 122.057 121.300 -0.084 0.000 2.496 174 W HA 0.656 5.308 4.660 -0.013 0.000 0.327 174 W C 0.627 177.096 176.519 -0.083 0.000 1.086 174 W CA -0.954 56.336 57.345 -0.091 0.000 1.222 174 W CB 0.880 30.304 29.460 -0.061 0.000 1.304 174 W HN 0.253 nan 8.180 nan 0.000 0.547 175 Q N 3.352 123.249 119.800 0.161 0.000 2.311 175 Q HA 0.196 4.529 4.340 -0.013 0.000 0.272 175 Q C -0.530 175.529 176.000 0.098 0.000 1.012 175 Q CA 0.248 56.116 55.803 0.110 0.000 0.891 175 Q CB 0.529 29.326 28.738 0.098 0.000 1.201 175 Q HN 0.329 nan 8.270 nan 0.000 0.391 176 M N 3.067 122.719 119.600 0.086 0.000 2.528 176 M HA 0.398 4.870 4.480 -0.013 0.000 0.321 176 M C -1.058 175.251 176.300 0.015 0.000 1.153 176 M CA -0.700 54.618 55.300 0.031 0.000 0.951 176 M CB 1.821 34.453 32.600 0.052 0.000 1.705 176 M HN 0.606 nan 8.290 nan 0.000 0.451 177 E N 1.175 121.317 120.200 -0.096 0.000 2.179 177 E HA 0.485 4.827 4.350 -0.013 0.000 0.275 177 E C -0.997 175.601 176.600 -0.003 0.000 0.945 177 E CA -0.381 55.926 56.400 -0.156 0.000 0.792 177 E CB 1.789 31.157 29.700 -0.554 0.000 1.125 177 E HN 0.385 nan 8.360 nan 0.000 0.397 178 E N 1.014 121.295 120.200 0.134 0.000 2.248 178 E HA 0.538 4.880 4.350 -0.013 0.000 0.267 178 E C -1.002 175.703 176.600 0.175 0.000 0.877 178 E CA -1.190 55.286 56.400 0.127 0.000 0.759 178 E CB 1.913 31.702 29.700 0.148 0.000 1.182 178 E HN 0.602 nan 8.360 nan 0.000 0.418 179 A N 2.472 125.355 122.820 0.105 0.000 2.567 179 A HA -0.051 4.262 4.320 -0.013 0.000 0.240 179 A C 0.064 177.834 177.584 0.310 0.000 1.053 179 A CA 0.274 52.390 52.037 0.131 0.000 0.755 179 A CB -0.086 18.875 19.000 -0.065 0.000 0.978 179 A HN 0.598 nan 8.150 nan 0.000 0.507 180 D N 1.936 122.583 120.400 0.412 0.000 2.522 180 D HA 0.186 4.819 4.640 -0.013 0.000 0.218 180 D C -0.364 176.253 176.300 0.528 0.000 1.149 180 D CA -0.214 54.025 54.000 0.399 0.000 0.981 180 D CB 0.295 41.264 40.800 0.281 0.000 1.041 180 D HN 0.385 nan 8.370 nan 0.000 0.518 181 D N 3.616 124.289 120.400 0.455 0.000 2.688 181 D HA -0.031 4.602 4.640 -0.013 0.000 0.228 181 D C 1.079 177.496 176.300 0.196 0.000 1.116 181 D CA -0.536 53.628 54.000 0.273 0.000 1.023 181 D CB -0.183 40.787 40.800 0.285 0.000 1.100 181 D HN 0.563 nan 8.370 nan 0.000 0.487 182 W N 1.845 123.165 121.300 0.033 0.000 2.595 182 W HA -0.013 4.640 4.660 -0.013 0.000 0.257 182 W C 0.133 176.701 176.519 0.081 0.000 1.267 182 W CA 0.037 57.432 57.345 0.083 0.000 1.300 182 W CB -0.701 28.813 29.460 0.090 0.000 1.120 182 W HN 0.177 nan 8.180 nan 0.000 0.618 183 L N 0.970 121.838 121.223 -0.591 0.000 2.607 183 L HA 0.178 4.510 4.340 -0.013 0.000 0.228 183 L C 2.776 179.479 176.870 -0.279 0.000 1.123 183 L CA -0.010 54.448 54.840 -0.637 0.000 0.890 183 L CB -0.584 40.979 42.059 -0.826 0.000 1.103 183 L HN -0.111 nan 8.230 nan 0.000 0.468 184 R N 0.461 120.857 120.500 -0.173 0.000 2.113 184 R HA -0.234 4.098 4.340 -0.013 0.000 0.244 184 R C 1.460 177.589 176.300 -0.284 0.000 1.142 184 R CA 2.115 58.078 56.100 -0.229 0.000 0.953 184 R CB -0.198 29.949 30.300 -0.256 0.000 0.860 184 R HN 0.303 nan 8.270 nan 0.000 0.438 185 Y N -0.494 119.814 120.300 0.012 0.000 2.466 185 Y HA 0.304 4.847 4.550 -0.013 0.000 0.272 185 Y C 0.888 176.770 175.900 -0.030 0.000 1.169 185 Y CA 0.510 58.628 58.100 0.031 0.000 1.285 185 Y CB 0.844 39.434 38.460 0.216 0.000 1.078 185 Y HN 0.438 nan 8.280 nan 0.000 0.523 186 G N 1.254 110.092 108.800 0.064 0.000 2.662 186 G HA2 -0.208 3.745 3.960 -0.013 0.000 0.686 186 G HA3 -0.208 3.745 3.960 -0.013 0.000 0.686 186 G C -1.306 173.661 174.900 0.112 0.000 1.271 186 G CA -0.773 44.332 45.100 0.008 0.000 0.816 186 G HN 0.251 nan 8.290 nan 0.000 0.608 187 N N 1.053 119.768 118.700 0.024 0.000 2.531 187 N HA 0.587 5.320 4.740 -0.013 0.000 0.268 187 N C -0.817 174.692 175.510 -0.003 0.000 1.023 187 N CA -1.960 51.121 53.050 0.051 0.000 0.896 187 N CB 2.140 40.592 38.487 -0.059 0.000 1.233 187 N HN 0.238 nan 8.380 nan 0.000 0.512 188 P HA 0.049 nan 4.420 nan 0.000 0.233 188 P C 0.638 177.646 177.300 -0.488 0.000 1.167 188 P CA 0.648 63.448 63.100 -0.499 0.000 0.770 188 P CB 0.107 31.210 31.700 -0.995 0.000 0.837 189 W N 1.964 123.267 121.300 0.005 0.000 2.576 189 W HA 0.037 4.690 4.660 -0.012 0.000 0.270 189 W C 1.264 177.817 176.519 0.056 0.000 1.255 189 W CA -0.293 57.051 57.345 -0.000 0.000 1.314 189 W CB -0.308 29.153 29.460 0.003 0.000 1.101 189 W HN 0.007 nan 8.180 nan 0.000 0.595 190 E N 1.677 122.046 120.200 0.281 0.000 2.319 190 E HA 0.317 4.659 4.350 -0.013 0.000 0.268 190 E C -0.633 176.135 176.600 0.280 0.000 1.050 190 E CA -0.748 55.830 56.400 0.296 0.000 0.878 190 E CB 1.282 31.172 29.700 0.316 0.000 1.066 190 E HN -0.329 nan 8.360 nan 0.000 0.406 191 K N 1.591 122.174 120.400 0.304 0.000 2.483 191 K HA 0.411 4.723 4.320 -0.013 0.000 0.256 191 K C -1.116 175.518 176.600 0.056 0.000 0.961 191 K CA -0.517 55.884 56.287 0.190 0.000 0.873 191 K CB 1.519 34.131 32.500 0.187 0.000 1.107 191 K HN 0.667 nan 8.250 nan 0.000 0.432 192 A N 4.234 126.994 122.820 -0.099 0.000 2.511 192 A HA 0.294 4.607 4.320 -0.013 0.000 0.242 192 A C -0.245 177.174 177.584 -0.274 0.000 1.069 192 A CA 0.005 51.730 52.037 -0.521 0.000 0.763 192 A CB 0.197 18.880 19.000 -0.529 0.000 1.001 192 A HN 0.674 nan 8.150 nan 0.000 0.498 193 R N 3.130 123.466 120.500 -0.272 0.000 2.835 193 R HA 0.202 4.534 4.340 -0.013 0.000 0.290 193 R C -2.371 173.871 176.300 -0.097 0.000 1.410 193 R CA -1.644 54.411 56.100 -0.076 0.000 1.590 193 R CB 0.654 31.074 30.300 0.199 0.000 1.288 193 R HN 0.558 nan 8.270 nan 0.000 0.637 194 P HA -0.190 nan 4.420 nan 0.000 0.223 194 P C 0.964 178.195 177.300 -0.116 0.000 1.144 194 P CA 1.122 64.163 63.100 -0.099 0.000 0.783 194 P CB 0.368 32.011 31.700 -0.095 0.000 0.771 195 E N -0.130 119.910 120.200 -0.266 0.000 2.274 195 E HA -0.135 4.207 4.350 -0.013 0.000 0.194 195 E C 0.618 176.955 176.600 -0.439 0.000 0.996 195 E CA 0.882 57.031 56.400 -0.418 0.000 0.840 195 E CB -0.850 28.469 29.700 -0.635 0.000 0.772 195 E HN 0.280 nan 8.360 nan 0.000 0.491 196 F N 2.051 122.017 119.950 0.026 0.000 2.730 196 F HA 0.270 4.790 4.527 -0.013 0.000 0.295 196 F C 0.414 176.309 175.800 0.158 0.000 1.143 196 F CA -0.413 57.634 58.000 0.079 0.000 1.367 196 F CB 0.126 39.169 39.000 0.072 0.000 0.970 196 F HN -0.303 nan 8.300 nan 0.000 0.514 197 T N 2.818 117.507 114.554 0.225 0.000 2.928 197 T HA 0.297 4.640 4.350 -0.013 0.000 0.305 197 T C -0.236 174.565 174.700 0.169 0.000 1.035 197 T CA 0.335 62.567 62.100 0.219 0.000 1.145 197 T CB 0.658 69.604 68.868 0.129 0.000 0.963 197 T HN -0.140 nan 8.240 nan 0.000 0.545 198 L N 5.721 127.018 121.223 0.123 0.000 2.388 198 L HA 0.555 4.887 4.340 -0.013 0.000 0.264 198 L C -2.238 174.597 176.870 -0.059 0.000 0.998 198 L CA -2.598 52.245 54.840 0.006 0.000 0.817 198 L CB 1.978 43.979 42.059 -0.098 0.000 1.338 198 L HN 0.383 nan 8.230 nan 0.000 0.414 199 P HA 0.368 nan 4.420 nan 0.000 0.284 199 P C -1.156 176.033 177.300 -0.185 0.000 1.253 199 P CA -0.346 62.684 63.100 -0.117 0.000 0.800 199 P CB 1.651 33.279 31.700 -0.119 0.000 0.961 200 V N 3.874 123.663 119.914 -0.209 0.000 2.604 200 V HA 0.340 4.452 4.120 -0.013 0.000 0.305 200 V C 0.133 176.025 176.094 -0.337 0.000 1.043 200 V CA -0.613 61.549 62.300 -0.229 0.000 0.888 200 V CB 1.532 33.258 31.823 -0.160 0.000 0.995 200 V HN 0.602 nan 8.190 nan 0.000 0.429 201 H N 3.704 122.621 119.070 -0.255 0.000 2.472 201 H HA 0.625 5.174 4.556 -0.013 0.000 0.338 201 H C -1.325 173.740 175.328 -0.437 0.000 1.133 201 H CA -0.151 55.678 56.048 -0.365 0.000 1.216 201 H CB 1.945 31.265 29.762 -0.738 0.000 1.497 201 H HN 0.484 nan 8.280 nan 0.000 0.500 202 F N 0.467 120.493 119.950 0.126 0.000 2.613 202 F HA 0.224 4.743 4.527 -0.013 0.000 0.314 202 F C -0.262 175.668 175.800 0.216 0.000 1.075 202 F CA -0.537 57.543 58.000 0.133 0.000 0.945 202 F CB 1.104 40.088 39.000 -0.027 0.000 1.310 202 F HN 0.564 nan 8.300 nan 0.000 0.467 203 Y N 0.111 120.711 120.300 0.500 0.000 2.904 203 Y HA 0.016 4.558 4.550 -0.013 0.000 0.466 203 Y C 1.300 177.448 175.900 0.413 0.000 1.202 203 Y CA 0.596 58.906 58.100 0.350 0.000 2.492 203 Y CB -1.899 36.696 38.460 0.225 0.000 1.237 203 Y HN 1.297 nan 8.280 nan 0.000 0.633 204 G N 0.616 109.687 108.800 0.451 0.000 2.593 204 G HA2 0.139 4.091 3.960 -0.013 0.000 0.237 204 G HA3 0.139 4.091 3.960 -0.013 0.000 0.237 204 G C -0.605 174.505 174.900 0.351 0.000 1.312 204 G CA 0.927 46.214 45.100 0.312 0.000 0.896 204 G HN 1.402 nan 8.290 nan 0.000 0.574 205 R N -2.597 118.110 120.500 0.345 0.000 2.733 205 R HA 0.696 5.029 4.340 -0.013 0.000 0.272 205 R C -1.440 175.001 176.300 0.236 0.000 1.029 205 R CA -0.974 55.272 56.100 0.243 0.000 0.888 205 R CB 1.258 31.644 30.300 0.143 0.000 1.251 205 R HN 0.913 nan 8.270 nan 0.000 0.464 206 V N 1.153 121.117 119.914 0.083 0.000 2.394 206 V HA 0.342 4.454 4.120 -0.013 0.000 0.282 206 V C -0.186 175.834 176.094 -0.124 0.000 1.031 206 V CA -0.514 61.759 62.300 -0.044 0.000 0.881 206 V CB 1.322 33.051 31.823 -0.157 0.000 0.982 206 V HN 0.669 nan 8.190 nan 0.000 0.451 207 E N 3.235 123.344 120.200 -0.151 0.000 2.179 207 E HA 0.434 4.777 4.350 -0.013 0.000 0.275 207 E C -0.998 175.429 176.600 -0.288 0.000 0.945 207 E CA -0.746 55.567 56.400 -0.145 0.000 0.792 207 E CB 1.276 30.954 29.700 -0.035 0.000 1.125 207 E HN 0.666 nan 8.360 nan 0.000 0.397 208 H N 1.932 121.017 119.070 0.025 0.000 2.519 208 H HA 0.201 4.749 4.556 -0.013 0.000 0.316 208 H C 0.205 175.542 175.328 0.015 0.000 1.065 208 H CA -0.282 55.776 56.048 0.016 0.000 1.264 208 H CB 1.208 30.975 29.762 0.008 0.000 1.413 208 H HN 0.562 nan 8.280 nan 0.000 0.465 209 T N -0.700 113.917 114.554 0.104 0.000 2.922 209 T HA 0.196 4.538 4.350 -0.013 0.000 0.281 209 T C 1.424 176.164 174.700 0.065 0.000 1.005 209 T CA -0.764 61.376 62.100 0.067 0.000 0.982 209 T CB 1.086 69.977 68.868 0.039 0.000 1.158 209 T HN 0.364 nan 8.240 nan 0.000 0.566 210 S N 0.657 116.383 115.700 0.044 0.000 2.382 210 S HA -0.114 4.349 4.470 -0.013 0.000 0.228 210 S C 1.339 175.960 174.600 0.035 0.000 1.027 210 S CA 1.264 59.484 58.200 0.034 0.000 0.991 210 S CB -0.538 62.677 63.200 0.025 0.000 0.823 210 S HN 0.862 nan 8.310 nan 0.000 0.469 211 Q N 1.101 120.922 119.800 0.035 0.000 2.936 211 Q HA 0.570 4.903 4.340 -0.013 0.000 0.383 211 Q C 0.578 176.602 176.000 0.040 0.000 1.167 211 Q CA -0.215 55.608 55.803 0.033 0.000 1.038 211 Q CB -0.132 28.621 28.738 0.026 0.000 1.409 211 Q HN 0.273 nan 8.270 nan 0.000 0.448 212 G N 0.656 109.491 108.800 0.057 0.000 2.760 212 G HA2 -0.065 3.887 3.960 -0.013 0.000 0.246 212 G HA3 -0.065 3.887 3.960 -0.013 0.000 0.246 212 G C -0.486 174.460 174.900 0.075 0.000 1.359 212 G CA -0.645 44.499 45.100 0.075 0.000 0.861 212 G HN 0.876 nan 8.290 nan 0.000 0.541 213 A N 0.096 122.954 122.820 0.064 0.000 2.322 213 A HA 0.719 5.031 4.320 -0.013 0.000 0.269 213 A C 0.390 177.943 177.584 -0.051 0.000 1.094 213 A CA 0.244 52.251 52.037 -0.050 0.000 0.807 213 A CB 0.652 19.602 19.000 -0.084 0.000 1.047 213 A HN 0.752 nan 8.150 nan 0.000 0.487 214 K N 0.788 121.140 120.400 -0.079 0.000 2.482 214 K HA 0.191 4.503 4.320 -0.013 0.000 0.251 214 K C -1.863 174.773 176.600 0.060 0.000 0.936 214 K CA -0.233 56.050 56.287 -0.006 0.000 0.791 214 K CB 2.097 34.592 32.500 -0.008 0.000 1.213 214 K HN 0.758 nan 8.250 nan 0.000 0.428 215 W N 5.135 126.358 121.300 -0.129 0.000 2.308 215 W HA 0.383 5.035 4.660 -0.013 0.000 0.311 215 W C -0.550 175.913 176.519 -0.094 0.000 1.088 215 W CA -0.884 56.391 57.345 -0.117 0.000 1.309 215 W CB 0.187 29.564 29.460 -0.137 0.000 1.229 215 W HN 0.311 nan 8.180 nan 0.000 0.427 216 V N 2.747 122.710 119.914 0.082 0.000 3.126 216 V HA 0.612 4.724 4.120 -0.013 0.000 0.314 216 V C -0.222 175.847 176.094 -0.042 0.000 1.138 216 V CA -0.981 61.294 62.300 -0.041 0.000 1.034 216 V CB 1.976 33.804 31.823 0.008 0.000 1.075 216 V HN 0.467 nan 8.190 nan 0.000 0.442 217 D N 0.272 120.650 120.400 -0.037 0.000 2.772 217 D HA -0.137 4.495 4.640 -0.013 0.000 0.233 217 D C 0.546 176.848 176.300 0.005 0.000 1.143 217 D CA 1.549 55.549 54.000 0.000 0.000 0.700 217 D CB -1.570 39.252 40.800 0.036 0.000 1.076 217 D HN 1.328 nan 8.370 nan 0.000 0.430 218 T N -2.996 111.518 114.554 -0.067 0.000 2.874 218 T HA 0.487 4.830 4.350 -0.013 0.000 0.281 218 T C 0.453 175.203 174.700 0.084 0.000 0.994 218 T CA -0.737 61.338 62.100 -0.041 0.000 1.015 218 T CB 1.949 70.641 68.868 -0.294 0.000 1.028 218 T HN 0.043 nan 8.240 nan 0.000 0.523 219 Q N 0.540 120.457 119.800 0.195 0.000 2.243 219 Q HA 0.561 4.894 4.340 -0.013 0.000 0.252 219 Q C -0.940 175.174 176.000 0.190 0.000 0.909 219 Q CA -0.821 55.116 55.803 0.224 0.000 0.922 219 Q CB 1.750 30.695 28.738 0.346 0.000 1.215 219 Q HN 0.528 nan 8.270 nan 0.000 0.427 220 V N 3.140 123.126 119.914 0.121 0.000 2.435 220 V HA 0.413 4.525 4.120 -0.013 0.000 0.290 220 V C -0.369 175.810 176.094 0.142 0.000 1.030 220 V CA -0.635 61.657 62.300 -0.014 0.000 0.881 220 V CB 1.713 33.466 31.823 -0.117 0.000 0.983 220 V HN 0.485 nan 8.190 nan 0.000 0.445 221 V N 5.862 125.871 119.914 0.159 0.000 2.604 221 V HA 0.473 4.585 4.120 -0.013 0.000 0.305 221 V C -0.125 176.068 176.094 0.165 0.000 1.043 221 V CA -0.649 61.766 62.300 0.192 0.000 0.888 221 V CB 1.918 33.930 31.823 0.315 0.000 0.995 221 V HN 0.635 nan 8.190 nan 0.000 0.429 222 L N 3.609 124.917 121.223 0.142 0.000 2.371 222 L HA 0.689 5.022 4.340 -0.013 0.000 0.272 222 L C 0.495 177.540 176.870 0.293 0.000 1.124 222 L CA -0.238 54.692 54.840 0.149 0.000 0.816 222 L CB 1.206 43.331 42.059 0.109 0.000 1.129 222 L HN 0.762 nan 8.230 nan 0.000 0.448 223 A N 5.276 128.218 122.820 0.204 0.000 2.267 223 A HA 0.573 4.885 4.320 -0.013 0.000 0.315 223 A C -0.476 177.373 177.584 0.441 0.000 1.297 223 A CA -0.480 51.707 52.037 0.250 0.000 0.865 223 A CB 0.912 19.630 19.000 -0.470 0.000 1.165 223 A HN 0.785 nan 8.150 nan 0.000 0.513 224 M N 5.859 125.777 119.600 0.529 0.000 2.129 224 M HA 0.476 4.948 4.480 -0.013 0.000 0.348 224 M C -2.631 173.935 176.300 0.443 0.000 1.116 224 M CA -2.110 53.446 55.300 0.426 0.000 1.022 224 M CB 1.983 34.756 32.600 0.288 0.000 1.599 224 M HN 0.331 nan 8.290 nan 0.000 0.449 225 P HA 0.280 nan 4.420 nan 0.000 0.286 225 P C -1.936 175.307 177.300 -0.094 0.000 1.261 225 P CA -0.030 62.984 63.100 -0.143 0.000 0.821 225 P CB 0.537 31.958 31.700 -0.464 0.000 1.013 226 Y N 0.423 120.662 120.300 -0.102 0.000 2.350 226 Y HA 0.340 4.882 4.550 -0.013 0.000 0.338 226 Y C 0.129 176.013 175.900 -0.026 0.000 0.961 226 Y CA -0.312 57.783 58.100 -0.008 0.000 1.100 226 Y CB 1.380 39.866 38.460 0.044 0.000 1.179 226 Y HN 0.212 nan 8.280 nan 0.000 0.454 227 D N 1.922 122.427 120.400 0.175 0.000 2.193 227 D HA 0.413 5.045 4.640 -0.013 0.000 0.244 227 D C -0.626 175.890 176.300 0.359 0.000 1.064 227 D CA -0.237 53.901 54.000 0.231 0.000 0.845 227 D CB 1.770 42.734 40.800 0.273 0.000 1.148 227 D HN 0.371 nan 8.370 nan 0.000 0.464 228 T N 3.199 117.867 114.554 0.191 0.000 2.824 228 T HA 0.469 4.811 4.350 -0.013 0.000 0.282 228 T C -2.517 172.008 174.700 -0.291 0.000 0.993 228 T CA -1.485 60.624 62.100 0.016 0.000 0.967 228 T CB 2.015 70.891 68.868 0.013 0.000 0.960 228 T HN 0.164 nan 8.240 nan 0.000 0.441 229 P HA 0.302 nan 4.420 nan 0.000 0.275 229 P C -1.002 175.960 177.300 -0.565 0.000 1.227 229 P CA -0.378 62.041 63.100 -1.134 0.000 0.781 229 P CB 0.775 31.626 31.700 -1.416 0.000 0.906 230 V N 5.088 124.729 119.914 -0.454 0.000 2.305 230 V HA 0.262 4.374 4.120 -0.013 0.000 0.275 230 V C -2.123 173.833 176.094 -0.231 0.000 1.020 230 V CA -1.909 60.221 62.300 -0.284 0.000 0.811 230 V CB 1.368 33.071 31.823 -0.199 0.000 1.031 230 V HN 0.537 nan 8.190 nan 0.000 0.439 231 P HA 0.265 nan 4.420 nan 0.000 0.281 231 P C 0.417 177.663 177.300 -0.089 0.000 1.252 231 P CA 0.308 63.317 63.100 -0.152 0.000 0.778 231 P CB 1.499 33.106 31.700 -0.154 0.000 0.895 232 G N 2.344 111.110 108.800 -0.056 0.000 2.634 232 G HA2 0.095 4.047 3.960 -0.013 0.000 0.255 232 G HA3 0.095 4.047 3.960 -0.013 0.000 0.255 232 G C -1.092 173.820 174.900 0.019 0.000 1.205 232 G CA -0.539 44.558 45.100 -0.006 0.000 0.884 232 G HN 0.511 nan 8.290 nan 0.000 0.549 233 Y N 1.438 121.700 120.300 -0.063 0.000 2.674 233 Y HA 0.192 4.734 4.550 -0.013 0.000 0.354 233 Y C 1.429 177.293 175.900 -0.060 0.000 1.089 233 Y CA -0.140 57.920 58.100 -0.068 0.000 1.444 233 Y CB -0.095 38.324 38.460 -0.069 0.000 1.187 233 Y HN 0.707 nan 8.280 nan 0.000 0.523 234 R N 3.102 123.335 120.500 -0.445 0.000 3.502 234 R HA -0.332 4.001 4.340 -0.013 0.000 0.266 234 R C -0.040 176.139 176.300 -0.203 0.000 1.077 234 R CA 1.304 57.162 56.100 -0.403 0.000 0.718 234 R CB -2.383 27.526 30.300 -0.653 0.000 1.120 234 R HN 0.952 nan 8.270 nan 0.000 0.457 235 N N -0.570 118.058 118.700 -0.121 0.000 2.170 235 N HA 0.033 4.765 4.740 -0.013 0.000 0.222 235 N C -0.113 175.355 175.510 -0.069 0.000 1.218 235 N CA -0.518 52.489 53.050 -0.072 0.000 0.889 235 N CB 0.470 38.939 38.487 -0.030 0.000 1.083 235 N HN 0.082 nan 8.380 nan 0.000 0.520 236 N N -0.109 118.545 118.700 -0.077 0.000 2.753 236 N HA -0.135 4.597 4.740 -0.013 0.000 0.251 236 N C -0.931 174.540 175.510 -0.065 0.000 1.097 236 N CA 0.600 53.610 53.050 -0.066 0.000 0.786 236 N CB -1.344 37.104 38.487 -0.065 0.000 1.137 236 N HN 0.201 nan 8.380 nan 0.000 0.566 237 V N 1.061 120.941 119.914 -0.057 0.000 2.465 237 V HA 0.431 4.543 4.120 -0.013 0.000 0.279 237 V C 0.623 176.688 176.094 -0.049 0.000 1.045 237 V CA -0.465 61.807 62.300 -0.046 0.000 0.938 237 V CB 2.117 33.938 31.823 -0.004 0.000 0.986 237 V HN -0.028 nan 8.190 nan 0.000 0.467 238 V N 5.285 125.175 119.914 -0.040 0.000 2.419 238 V HA 0.433 4.545 4.120 -0.013 0.000 0.287 238 V C -0.145 175.942 176.094 -0.013 0.000 1.017 238 V CA -0.863 61.388 62.300 -0.083 0.000 0.844 238 V CB 1.480 33.228 31.823 -0.124 0.000 1.011 238 V HN 0.840 nan 8.190 nan 0.000 0.429 239 N N 1.895 120.556 118.700 -0.065 0.000 2.448 239 N HA 0.572 5.304 4.740 -0.013 0.000 0.274 239 N C -0.056 175.428 175.510 -0.043 0.000 1.239 239 N CA -0.291 52.741 53.050 -0.030 0.000 0.982 239 N CB 1.268 39.700 38.487 -0.092 0.000 1.199 239 N HN 0.577 nan 8.380 nan 0.000 0.576 240 T N 0.797 115.336 114.554 -0.026 0.000 2.841 240 T HA 0.397 4.739 4.350 -0.013 0.000 0.283 240 T C -0.255 174.405 174.700 -0.067 0.000 1.000 240 T CA -0.504 61.651 62.100 0.091 0.000 0.977 240 T CB 1.017 70.051 68.868 0.277 0.000 0.979 240 T HN 0.294 nan 8.240 nan 0.000 0.446 241 M N 3.853 123.380 119.600 -0.122 0.000 2.101 241 M HA 0.500 4.972 4.480 -0.013 0.000 0.340 241 M C -0.490 175.660 176.300 -0.251 0.000 1.057 241 M CA -0.745 54.400 55.300 -0.258 0.000 0.984 241 M CB 0.689 33.080 32.600 -0.350 0.000 1.560 241 M HN 0.478 nan 8.290 nan 0.000 0.435 242 R N 5.898 126.138 120.500 -0.434 0.000 2.265 242 R HA 0.626 4.958 4.340 -0.013 0.000 0.328 242 R C -1.934 174.069 176.300 -0.495 0.000 0.969 242 R CA -0.418 55.375 56.100 -0.512 0.000 0.832 242 R CB 0.872 30.680 30.300 -0.819 0.000 1.139 242 R HN 0.813 nan 8.270 nan 0.000 0.457 243 L N 5.055 126.096 121.223 -0.304 0.000 2.341 243 L HA 0.501 4.833 4.340 -0.013 0.000 0.278 243 L C -0.856 175.969 176.870 -0.076 0.000 1.005 243 L CA -0.904 53.856 54.840 -0.133 0.000 0.818 243 L CB 1.558 43.627 42.059 0.018 0.000 1.259 243 L HN 0.592 nan 8.230 nan 0.000 0.418 244 W N 1.856 123.273 121.300 0.194 0.000 2.365 244 W HA 0.485 5.137 4.660 -0.013 0.000 0.316 244 W C 0.518 177.255 176.519 0.363 0.000 1.164 244 W CA -0.207 57.270 57.345 0.220 0.000 1.204 244 W CB 1.600 31.048 29.460 -0.020 0.000 1.213 244 W HN 0.338 nan 8.180 nan 0.000 0.539 245 S N 1.871 117.975 115.700 0.673 0.000 2.482 245 S HA 0.774 5.236 4.470 -0.013 0.000 0.303 245 S C -0.442 174.507 174.600 0.581 0.000 1.091 245 S CA -0.705 57.806 58.200 0.519 0.000 1.057 245 S CB 0.661 64.110 63.200 0.416 0.000 1.031 245 S HN 0.517 nan 8.310 nan 0.000 0.485 246 A N 4.751 127.767 122.820 0.326 0.000 2.366 246 A HA 0.653 4.966 4.320 -0.013 0.000 0.272 246 A C -0.157 177.497 177.584 0.116 0.000 1.135 246 A CA -0.286 51.837 52.037 0.143 0.000 0.804 246 A CB 0.360 19.168 19.000 -0.320 0.000 1.064 246 A HN 0.661 nan 8.150 nan 0.000 0.499 247 K N 1.129 121.604 120.400 0.124 0.000 2.427 247 K HA 0.595 4.907 4.320 -0.013 0.000 0.252 247 K C -0.472 176.107 176.600 -0.034 0.000 0.931 247 K CA -0.433 55.883 56.287 0.049 0.000 0.793 247 K CB 2.253 34.812 32.500 0.098 0.000 1.211 247 K HN 0.840 nan 8.250 nan 0.000 0.426 248 A N 4.310 127.037 122.820 -0.155 0.000 2.388 248 A HA 0.428 4.740 4.320 -0.013 0.000 0.257 248 A C -2.078 175.449 177.584 -0.095 0.000 1.095 248 A CA -0.967 50.885 52.037 -0.309 0.000 0.791 248 A CB -0.317 18.275 19.000 -0.680 0.000 1.029 248 A HN 0.347 nan 8.150 nan 0.000 0.489 249 P HA 0.118 nan 4.420 nan 0.000 0.272 249 P C 0.010 177.388 177.300 0.129 0.000 1.230 249 P CA -0.387 62.768 63.100 0.091 0.000 0.788 249 P CB 0.623 32.403 31.700 0.133 0.000 0.949 250 N N 0.762 119.524 118.700 0.102 0.000 2.409 250 N HA -0.100 4.633 4.740 -0.013 0.000 0.179 250 N C 0.824 176.410 175.510 0.126 0.000 1.032 250 N CA 0.912 54.024 53.050 0.103 0.000 0.898 250 N CB -0.431 38.100 38.487 0.073 0.000 0.971 250 N HN 0.542 nan 8.380 nan 0.000 0.441 251 D N -0.766 119.710 120.400 0.126 0.000 2.328 251 D HA -0.086 4.546 4.640 -0.013 0.000 0.226 251 D C 0.235 176.609 176.300 0.124 0.000 1.066 251 D CA -0.498 53.566 54.000 0.106 0.000 0.861 251 D CB -0.941 39.903 40.800 0.073 0.000 0.912 251 D HN 0.051 nan 8.370 nan 0.000 0.521 252 F N 2.011 121.974 119.950 0.022 0.000 2.612 252 F HA 0.011 4.531 4.527 -0.013 0.000 0.389 252 F C 0.784 176.589 175.800 0.008 0.000 1.055 252 F CA 0.386 58.396 58.000 0.016 0.000 1.232 252 F CB 0.072 39.081 39.000 0.015 0.000 1.044 252 F HN -0.153 nan 8.300 nan 0.000 0.560 253 N N 2.393 120.740 118.700 -0.589 0.000 2.717 253 N HA -0.284 4.448 4.740 -0.013 0.000 0.248 253 N C -0.772 174.659 175.510 -0.132 0.000 1.099 253 N CA 1.555 54.371 53.050 -0.389 0.000 0.843 253 N CB -1.163 37.120 38.487 -0.340 0.000 1.155 253 N HN 0.544 nan 8.380 nan 0.000 0.580 262 Y N 1.918 122.223 120.300 0.008 0.000 2.114 262 Y HA -0.007 4.535 4.550 -0.013 0.000 0.284 262 Y C 2.700 178.613 175.900 0.022 0.000 1.143 262 Y CA 2.193 60.301 58.100 0.014 0.000 1.135 262 Y CB -0.127 38.341 38.460 0.013 0.000 0.980 262 Y HN 0.186 nan 8.280 nan 0.000 0.499 263 I N 0.528 121.046 120.570 -0.086 0.000 2.163 263 I HA -0.310 3.852 4.170 -0.013 0.000 0.243 263 I C 2.389 178.412 176.117 -0.156 0.000 1.085 263 I CA 1.788 62.986 61.300 -0.169 0.000 1.347 263 I CB -1.492 36.508 38.000 -0.001 0.000 1.044 263 I HN 0.338 nan 8.210 nan 0.000 0.408 264 Q N 1.017 120.773 119.800 -0.073 0.000 2.135 264 Q HA -0.117 4.215 4.340 -0.013 0.000 0.204 264 Q C 2.236 178.205 176.000 -0.052 0.000 0.981 264 Q CA 2.225 58.001 55.803 -0.045 0.000 0.856 264 Q CB -0.362 28.366 28.738 -0.017 0.000 0.902 264 Q HN 0.487 nan 8.270 nan 0.000 0.425 265 A N -0.859 121.913 122.820 -0.080 0.000 1.933 265 A HA -0.128 4.184 4.320 -0.013 0.000 0.218 265 A C 2.242 179.807 177.584 -0.032 0.000 1.175 265 A CA 1.615 53.620 52.037 -0.054 0.000 0.628 265 A CB -0.723 18.242 19.000 -0.060 0.000 0.814 265 A HN 0.265 nan 8.150 nan 0.000 0.444 266 V N 0.180 119.993 119.914 -0.169 0.000 2.358 266 V HA -0.227 3.885 4.120 -0.013 0.000 0.246 266 V C 2.501 178.567 176.094 -0.046 0.000 1.047 266 V CA 1.832 64.051 62.300 -0.136 0.000 1.035 266 V CB -0.745 30.903 31.823 -0.291 0.000 0.658 266 V HN 0.573 nan 8.190 nan 0.000 0.452 267 L N -0.205 120.987 121.223 -0.052 0.000 2.201 267 L HA -0.139 4.193 4.340 -0.013 0.000 0.212 267 L C 1.971 178.857 176.870 0.027 0.000 1.105 267 L CA 1.165 55.996 54.840 -0.014 0.000 0.775 267 L CB -0.648 41.401 42.059 -0.018 0.000 0.913 267 L HN 0.329 nan 8.230 nan 0.000 0.440 268 D N -0.020 120.423 120.400 0.071 0.000 2.363 268 D HA -0.064 4.568 4.640 -0.013 0.000 0.220 268 D C 2.133 178.583 176.300 0.249 0.000 0.994 268 D CA 0.411 54.501 54.000 0.150 0.000 0.890 268 D CB 0.024 40.919 40.800 0.159 0.000 0.906 268 D HN 0.211 nan 8.370 nan 0.000 0.530 269 R N 0.508 121.091 120.500 0.139 0.000 2.159 269 R HA -0.090 4.242 4.340 -0.013 0.000 0.237 269 R C 1.595 177.781 176.300 -0.191 0.000 1.131 269 R CA 0.733 56.738 56.100 -0.158 0.000 0.982 269 R CB -0.123 30.101 30.300 -0.128 0.000 0.868 269 R HN 0.157 nan 8.270 nan 0.000 0.453 270 N N 0.699 119.365 118.700 -0.056 0.000 2.137 270 N HA -0.173 4.560 4.740 -0.013 0.000 0.190 270 N C 1.539 177.028 175.510 -0.035 0.000 1.017 270 N CA 1.097 54.126 53.050 -0.036 0.000 0.859 270 N CB -0.219 38.269 38.487 0.001 0.000 1.002 270 N HN 0.080 nan 8.380 nan 0.000 0.428 271 L N 1.108 122.330 121.223 -0.002 0.000 2.012 271 L HA -0.112 4.220 4.340 -0.013 0.000 0.210 271 L C 2.398 179.249 176.870 -0.033 0.000 1.073 271 L CA 1.501 56.355 54.840 0.024 0.000 0.748 271 L CB -1.410 40.717 42.059 0.114 0.000 0.891 271 L HN 0.138 nan 8.230 nan 0.000 0.431 272 A N -0.819 121.925 122.820 -0.128 0.000 1.902 272 A HA -0.195 4.118 4.320 -0.013 0.000 0.217 272 A C 2.129 179.610 177.584 -0.171 0.000 1.181 272 A CA 1.569 53.493 52.037 -0.189 0.000 0.623 272 A CB -0.501 18.239 19.000 -0.433 0.000 0.818 272 A HN 0.550 nan 8.150 nan 0.000 0.443 273 E N -0.005 120.103 120.200 -0.154 0.000 2.427 273 E HA -0.081 4.262 4.350 -0.013 0.000 0.196 273 E C 1.057 177.624 176.600 -0.054 0.000 1.028 273 E CA 0.258 56.600 56.400 -0.098 0.000 0.864 273 E CB -0.159 29.500 29.700 -0.068 0.000 0.813 273 E HN 0.469 nan 8.360 nan 0.000 0.514 274 N N 1.049 119.722 118.700 -0.045 0.000 2.364 274 N HA -0.102 4.630 4.740 -0.013 0.000 0.183 274 N C 1.605 177.114 175.510 -0.001 0.000 1.022 274 N CA 0.645 53.695 53.050 0.001 0.000 0.883 274 N CB -0.057 38.435 38.487 0.007 0.000 0.965 274 N HN 0.256 nan 8.380 nan 0.000 0.438 275 I N 0.402 120.914 120.570 -0.096 0.000 2.194 275 I HA -0.263 3.899 4.170 -0.013 0.000 0.246 275 I C 1.506 177.599 176.117 -0.039 0.000 1.093 275 I CA 1.323 62.536 61.300 -0.146 0.000 1.355 275 I CB -0.218 37.517 38.000 -0.442 0.000 1.046 275 I HN 0.135 nan 8.210 nan 0.000 0.413 276 S N -0.429 115.246 115.700 -0.041 0.000 2.614 276 S HA 0.164 4.626 4.470 -0.013 0.000 0.230 276 S C 1.515 176.261 174.600 0.244 0.000 0.952 276 S CA -0.463 57.806 58.200 0.115 0.000 0.949 276 S CB 0.167 63.429 63.200 0.102 0.000 0.786 276 S HN 0.221 nan 8.310 nan 0.000 0.478 277 R N 1.185 121.826 120.500 0.236 0.000 2.075 277 R HA 0.292 4.624 4.340 -0.013 0.000 0.226 277 R C 0.321 176.876 176.300 0.425 0.000 1.114 277 R CA 0.996 57.275 56.100 0.298 0.000 0.972 277 R CB -0.157 30.277 30.300 0.223 0.000 0.869 277 R HN 0.386 nan 8.270 nan 0.000 0.437 278 V N 0.407 120.527 119.914 0.344 0.000 2.891 278 V HA 0.335 4.447 4.120 -0.013 0.000 0.304 278 V C -1.659 174.378 176.094 -0.094 0.000 1.171 278 V CA -1.365 61.047 62.300 0.186 0.000 0.943 278 V CB 1.765 33.620 31.823 0.053 0.000 1.037 278 V HN 0.129 nan 8.190 nan 0.000 0.427 279 L N 7.052 127.984 121.223 -0.486 0.000 2.410 279 L HA 0.453 4.785 4.340 -0.013 0.000 0.273 279 L C -0.779 175.919 176.870 -0.287 0.000 1.144 279 L CA 0.474 54.842 54.840 -0.788 0.000 0.863 279 L CB 0.345 41.897 42.059 -0.844 0.000 1.140 279 L HN 0.672 nan 8.230 nan 0.000 0.463 280 Y N 7.340 127.546 120.300 -0.157 0.000 2.650 280 Y HA 0.161 4.703 4.550 -0.013 0.000 0.331 280 Y C -1.256 174.628 175.900 -0.027 0.000 1.165 280 Y CA -1.024 57.053 58.100 -0.037 0.000 1.473 280 Y CB 0.287 38.748 38.460 0.003 0.000 1.224 280 Y HN 0.593 nan 8.280 nan 0.000 0.533 281 P HA -0.031 nan 4.420 nan 0.000 0.257 281 P C -0.824 176.600 177.300 0.207 0.000 1.281 281 P CA 0.157 63.355 63.100 0.165 0.000 0.826 281 P CB 0.139 32.031 31.700 0.320 0.000 1.237 282 N N 1.968 120.799 118.700 0.219 0.000 2.408 282 N HA 0.100 4.832 4.740 -0.013 0.000 0.257 282 N C -0.651 174.973 175.510 0.190 0.000 1.064 282 N CA -0.188 52.999 53.050 0.228 0.000 0.952 282 N CB 0.960 39.600 38.487 0.255 0.000 1.093 282 N HN 0.034 nan 8.380 nan 0.000 0.490 283 D N 1.097 121.619 120.400 0.204 0.000 2.272 283 D HA 0.197 4.829 4.640 -0.013 0.000 0.247 283 D C 0.340 176.777 176.300 0.228 0.000 0.990 283 D CA -0.674 53.436 54.000 0.183 0.000 0.931 283 D CB 0.428 41.321 40.800 0.154 0.000 1.195 283 D HN 0.380 nan 8.370 nan 0.000 0.477 284 N N -0.768 118.049 118.700 0.194 0.000 2.677 284 N HA -0.264 4.468 4.740 -0.013 0.000 0.249 284 N C -0.974 174.707 175.510 0.285 0.000 1.073 284 N CA 0.801 53.963 53.050 0.187 0.000 0.737 284 N CB -1.008 37.553 38.487 0.124 0.000 0.999 284 N HN 0.479 nan 8.380 nan 0.000 0.543 285 F N 0.498 120.506 119.950 0.097 0.000 2.915 285 F HA 0.340 4.859 4.527 -0.013 0.000 0.350 285 F C -0.834 175.007 175.800 0.067 0.000 1.248 285 F CA -1.154 56.886 58.000 0.066 0.000 1.084 285 F CB 0.560 39.555 39.000 -0.008 0.000 1.391 285 F HN -0.030 nan 8.300 nan 0.000 0.548 286 F N 5.572 125.082 119.950 -0.732 0.000 2.506 286 F HA 0.400 4.920 4.527 -0.013 0.000 0.371 286 F C -0.197 175.148 175.800 -0.757 0.000 1.078 286 F CA 0.309 57.937 58.000 -0.621 0.000 1.195 286 F CB 0.502 39.192 39.000 -0.516 0.000 1.099 286 F HN 0.509 nan 8.300 nan 0.000 0.548 287 E N 3.558 123.054 120.200 -1.173 0.000 2.176 287 E HA 0.312 4.655 4.350 -0.013 0.000 0.267 287 E C -0.090 175.640 176.600 -1.449 0.000 0.893 287 E CA -0.692 55.088 56.400 -1.032 0.000 0.761 287 E CB 1.726 31.211 29.700 -0.358 0.000 1.133 287 E HN 0.825 nan 8.360 nan 0.000 0.409 288 G N 4.248 112.290 108.800 -1.263 0.000 3.213 288 G HA2 0.024 3.976 3.960 -0.013 0.000 0.263 288 G HA3 0.024 3.976 3.960 -0.013 0.000 0.263 288 G C -0.081 174.762 174.900 -0.095 0.000 0.829 288 G CA -0.304 44.310 45.100 -0.810 0.000 1.983 288 G HN 0.122 nan 8.290 nan 0.000 0.616 289 K N 0.760 121.129 120.400 -0.052 0.000 2.172 289 K HA 0.157 4.469 4.320 -0.013 0.000 0.276 289 K C 0.955 177.679 176.600 0.207 0.000 1.013 289 K CA -0.554 55.787 56.287 0.091 0.000 0.913 289 K CB 2.305 34.840 32.500 0.059 0.000 1.055 289 K HN 0.496 nan 8.250 nan 0.000 0.461 290 E N 1.935 122.231 120.200 0.160 0.000 2.085 290 E HA -0.222 4.120 4.350 -0.013 0.000 0.194 290 E C 1.502 178.129 176.600 0.045 0.000 0.994 290 E CA 1.070 57.522 56.400 0.086 0.000 0.801 290 E CB 0.172 29.924 29.700 0.086 0.000 0.743 290 E HN 0.405 nan 8.360 nan 0.000 0.453 291 L N 1.253 122.542 121.223 0.110 0.000 2.083 291 L HA -0.168 4.164 4.340 -0.013 0.000 0.209 291 L C 2.447 179.405 176.870 0.147 0.000 1.083 291 L CA 1.738 56.660 54.840 0.138 0.000 0.752 291 L CB -0.513 41.695 42.059 0.249 0.000 0.899 291 L HN 0.008 nan 8.230 nan 0.000 0.433 292 R N -0.598 119.931 120.500 0.049 0.000 2.081 292 R HA -0.163 4.170 4.340 -0.013 0.000 0.235 292 R C 2.112 178.453 176.300 0.069 0.000 1.131 292 R CA 1.848 57.907 56.100 -0.067 0.000 0.960 292 R CB -1.026 29.013 30.300 -0.435 0.000 0.856 292 R HN 0.408 nan 8.270 nan 0.000 0.436 293 L N 0.902 122.087 121.223 -0.063 0.000 2.046 293 L HA -0.091 4.241 4.340 -0.013 0.000 0.208 293 L C 1.718 178.530 176.870 -0.096 0.000 1.077 293 L CA 1.924 56.526 54.840 -0.397 0.000 0.747 293 L CB -0.426 41.095 42.059 -0.897 0.000 0.896 293 L HN 0.153 nan 8.230 nan 0.000 0.432 294 K N -0.962 119.426 120.400 -0.021 0.000 2.063 294 K HA -0.213 4.099 4.320 -0.013 0.000 0.208 294 K C 2.097 178.857 176.600 0.266 0.000 1.048 294 K CA 1.848 58.194 56.287 0.098 0.000 0.928 294 K CB -0.219 32.156 32.500 -0.208 0.000 0.713 294 K HN 0.518 nan 8.250 nan 0.000 0.442 295 Q N 0.689 120.612 119.800 0.204 0.000 2.050 295 Q HA -0.196 4.136 4.340 -0.013 0.000 0.202 295 Q C 1.991 178.190 176.000 0.331 0.000 0.980 295 Q CA 1.517 57.498 55.803 0.297 0.000 0.840 295 Q CB -0.045 28.887 28.738 0.324 0.000 0.898 295 Q HN 0.391 nan 8.270 nan 0.000 0.424 296 E N -0.239 120.109 120.200 0.248 0.000 2.077 296 E HA -0.215 4.128 4.350 -0.013 0.000 0.193 296 E C 1.732 178.450 176.600 0.196 0.000 0.989 296 E CA 1.042 57.571 56.400 0.215 0.000 0.800 296 E CB -0.138 29.668 29.700 0.177 0.000 0.746 296 E HN 0.328 nan 8.360 nan 0.000 0.452 297 Y N 0.320 120.669 120.300 0.082 0.000 2.263 297 Y HA -0.194 4.349 4.550 -0.013 0.000 0.292 297 Y C 1.955 177.898 175.900 0.071 0.000 1.130 297 Y CA 0.965 59.072 58.100 0.012 0.000 1.179 297 Y CB -0.339 38.095 38.460 -0.043 0.000 0.998 297 Y HN 0.012 nan 8.280 nan 0.000 0.532 298 F N -0.331 119.620 119.950 0.003 0.000 2.091 298 F HA -0.241 4.278 4.527 -0.013 0.000 0.299 298 F C 2.482 178.139 175.800 -0.238 0.000 1.103 298 F CA 1.965 59.914 58.000 -0.086 0.000 1.228 298 F CB -1.036 38.062 39.000 0.162 0.000 0.984 298 F HN -0.047 nan 8.300 nan 0.000 0.477 299 V N -0.525 119.352 119.914 -0.062 0.000 2.358 299 V HA -0.195 3.917 4.120 -0.013 0.000 0.246 299 V C 2.200 178.148 176.094 -0.245 0.000 1.047 299 V CA 1.976 64.205 62.300 -0.118 0.000 1.035 299 V CB -0.421 31.526 31.823 0.206 0.000 0.658 299 V HN 0.240 nan 8.190 nan 0.000 0.452 300 V N 0.551 120.333 119.914 -0.219 0.000 2.295 300 V HA -0.195 3.917 4.120 -0.013 0.000 0.246 300 V C 2.836 178.682 176.094 -0.413 0.000 1.049 300 V CA 2.245 64.399 62.300 -0.243 0.000 1.024 300 V CB -1.112 30.628 31.823 -0.139 0.000 0.648 300 V HN 0.657 nan 8.190 nan 0.000 0.447 301 A N -0.299 122.108 122.820 -0.688 0.000 1.898 301 A HA -0.059 4.254 4.320 -0.013 0.000 0.216 301 A C 2.388 179.616 177.584 -0.593 0.000 1.181 301 A CA 1.985 53.613 52.037 -0.681 0.000 0.620 301 A CB -0.752 17.636 19.000 -1.020 0.000 0.819 301 A HN 0.559 nan 8.150 nan 0.000 0.442 302 A N -1.067 121.245 122.820 -0.846 0.000 1.898 302 A HA -0.045 4.268 4.320 -0.013 0.000 0.216 302 A C 2.303 179.434 177.584 -0.755 0.000 1.181 302 A CA 2.208 53.580 52.037 -1.109 0.000 0.620 302 A CB -1.229 16.450 19.000 -2.203 0.000 0.819 302 A HN 0.414 nan 8.150 nan 0.000 0.442 303 T N 0.471 114.704 114.554 -0.536 0.000 2.708 303 T HA -0.099 4.244 4.350 -0.013 0.000 0.266 303 T C 1.826 176.274 174.700 -0.420 0.000 1.037 303 T CA 1.455 63.346 62.100 -0.348 0.000 1.146 303 T CB -0.378 68.283 68.868 -0.345 0.000 0.865 303 T HN 0.338 nan 8.240 nan 0.000 0.435 304 L N 0.679 121.698 121.223 -0.341 0.000 2.083 304 L HA -0.161 4.172 4.340 -0.013 0.000 0.209 304 L C 2.909 179.670 176.870 -0.182 0.000 1.083 304 L CA 1.390 56.078 54.840 -0.253 0.000 0.752 304 L CB -0.495 41.453 42.059 -0.185 0.000 0.899 304 L HN 0.362 nan 8.230 nan 0.000 0.433 305 Q N -0.599 119.095 119.800 -0.178 0.000 2.124 305 Q HA -0.255 4.078 4.340 -0.013 0.000 0.202 305 Q C 1.750 177.724 176.000 -0.042 0.000 0.977 305 Q CA 1.760 57.508 55.803 -0.092 0.000 0.850 305 Q CB -0.096 28.579 28.738 -0.105 0.000 0.901 305 Q HN 0.403 nan 8.270 nan 0.000 0.429 306 D N 0.431 120.796 120.400 -0.058 0.000 2.117 306 D HA -0.088 4.544 4.640 -0.013 0.000 0.198 306 D C 1.666 177.909 176.300 -0.094 0.000 0.982 306 D CA 0.806 54.813 54.000 0.011 0.000 0.828 306 D CB -0.008 40.892 40.800 0.167 0.000 0.967 306 D HN 0.156 nan 8.370 nan 0.000 0.464 307 I N 0.145 120.547 120.570 -0.280 0.000 2.163 307 I HA -0.257 3.906 4.170 -0.013 0.000 0.243 307 I C 2.284 178.401 176.117 -0.000 0.000 1.085 307 I CA 0.828 61.902 61.300 -0.377 0.000 1.347 307 I CB -0.159 37.477 38.000 -0.606 0.000 1.044 307 I HN 0.048 nan 8.210 nan 0.000 0.408 308 I N -0.002 120.627 120.570 0.098 0.000 2.202 308 I HA -0.276 3.886 4.170 -0.013 0.000 0.242 308 I C 2.786 179.061 176.117 0.264 0.000 1.091 308 I CA 1.050 62.525 61.300 0.291 0.000 1.368 308 I CB -0.436 37.696 38.000 0.220 0.000 1.058 308 I HN 0.170 nan 8.210 nan 0.000 0.410 309 R N 1.069 121.657 120.500 0.146 0.000 2.112 309 R HA -0.258 4.074 4.340 -0.013 0.000 0.242 309 R C 2.493 178.865 176.300 0.121 0.000 1.137 309 R CA 2.040 58.212 56.100 0.120 0.000 0.944 309 R CB -0.305 30.048 30.300 0.089 0.000 0.857 309 R HN 0.241 nan 8.270 nan 0.000 0.435 310 R N -0.761 119.807 120.500 0.114 0.000 2.115 310 R HA -0.155 4.177 4.340 -0.013 0.000 0.230 310 R C 2.215 178.606 176.300 0.152 0.000 1.111 310 R CA 1.608 57.779 56.100 0.119 0.000 0.976 310 R CB -0.310 30.050 30.300 0.100 0.000 0.870 310 R HN 0.267 nan 8.270 nan 0.000 0.445 311 F N 1.311 121.290 119.950 0.049 0.000 2.146 311 F HA -0.081 4.438 4.527 -0.013 0.000 0.298 311 F C 1.675 177.477 175.800 0.003 0.000 1.096 311 F CA 1.441 59.459 58.000 0.029 0.000 1.275 311 F CB 0.043 39.100 39.000 0.095 0.000 1.008 311 F HN -0.172 nan 8.300 nan 0.000 0.480 312 K N -0.231 120.127 120.400 -0.070 0.000 2.211 312 K HA -0.046 4.267 4.320 -0.013 0.000 0.203 312 K C 1.638 178.139 176.600 -0.165 0.000 1.050 312 K CA 1.263 57.431 56.287 -0.199 0.000 0.945 312 K CB -0.228 32.275 32.500 0.004 0.000 0.732 312 K HN 0.132 nan 8.250 nan 0.000 0.451 313 S N 0.898 116.562 115.700 -0.061 0.000 2.710 313 S HA 0.097 4.560 4.470 -0.013 0.000 0.224 313 S C 0.234 174.814 174.600 -0.033 0.000 0.948 313 S CA -0.227 57.976 58.200 0.005 0.000 0.949 313 S CB 0.211 63.473 63.200 0.104 0.000 0.778 313 S HN 0.122 nan 8.310 nan 0.000 0.498 326 F N 1.647 121.702 119.950 0.176 0.000 2.797 326 F HA 0.187 4.706 4.527 -0.013 0.000 0.302 326 F C 1.437 177.305 175.800 0.114 0.000 1.130 326 F CA 0.030 58.113 58.000 0.137 0.000 1.387 326 F CB 0.414 39.376 39.000 -0.063 0.000 1.107 326 F HN 0.506 nan 8.300 nan 0.000 0.577 327 D N 0.529 121.068 120.400 0.232 0.000 2.178 327 D HA -0.171 4.462 4.640 -0.013 0.000 0.201 327 D C 2.168 178.562 176.300 0.156 0.000 0.980 327 D CA 1.282 55.377 54.000 0.158 0.000 0.842 327 D CB -0.121 40.746 40.800 0.112 0.000 0.948 327 D HN 0.231 nan 8.370 nan 0.000 0.472 328 A N -0.689 122.250 122.820 0.199 0.000 2.251 328 A HA 0.099 4.411 4.320 -0.013 0.000 0.209 328 A C 1.557 179.264 177.584 0.205 0.000 1.187 328 A CA -0.256 51.895 52.037 0.190 0.000 0.823 328 A CB -0.803 18.310 19.000 0.190 0.000 0.846 328 A HN 0.216 nan 8.150 nan 0.000 0.486 329 F N 1.924 121.850 119.950 -0.039 0.000 2.065 329 F HA -0.144 4.375 4.527 -0.013 0.000 0.298 329 F C -0.784 174.913 175.800 -0.171 0.000 1.112 329 F CA 2.544 60.318 58.000 -0.377 0.000 1.212 329 F CB -0.542 38.228 39.000 -0.383 0.000 0.975 329 F HN 0.204 nan 8.300 nan 0.000 0.476 330 P HA -0.081 nan 4.420 nan 0.000 0.230 330 P C 0.677 177.937 177.300 -0.067 0.000 1.158 330 P CA 1.322 64.394 63.100 -0.045 0.000 0.769 330 P CB -0.063 31.637 31.700 -0.000 0.000 0.807 331 D N -0.702 119.679 120.400 -0.031 0.000 2.277 331 D HA -0.031 4.601 4.640 -0.013 0.000 0.208 331 D C 1.494 177.780 176.300 -0.024 0.000 0.962 331 D CA 0.928 54.921 54.000 -0.012 0.000 0.865 331 D CB 0.123 40.937 40.800 0.023 0.000 0.939 331 D HN 0.129 nan 8.370 nan 0.000 0.510 332 K N 0.036 120.399 120.400 -0.061 0.000 2.373 332 K HA 0.215 4.527 4.320 -0.013 0.000 0.200 332 K C -0.164 176.357 176.600 -0.132 0.000 1.054 332 K CA 0.043 56.306 56.287 -0.040 0.000 1.065 332 K CB 2.337 34.910 32.500 0.121 0.000 0.886 332 K HN -0.066 nan 8.250 nan 0.000 0.546 333 V N 0.944 120.697 119.914 -0.269 0.000 2.686 333 V HA 0.607 4.719 4.120 -0.013 0.000 0.306 333 V C -1.098 174.906 176.094 -0.150 0.000 1.065 333 V CA -1.282 60.852 62.300 -0.277 0.000 0.894 333 V CB 1.841 33.199 31.823 -0.776 0.000 1.004 333 V HN 0.106 nan 8.190 nan 0.000 0.424 334 A N 5.649 128.435 122.820 -0.056 0.000 2.343 334 A HA 0.936 5.248 4.320 -0.013 0.000 0.316 334 A C -0.970 176.638 177.584 0.041 0.000 1.104 334 A CA -0.502 51.535 52.037 -0.000 0.000 0.768 334 A CB 1.043 20.009 19.000 -0.056 0.000 1.213 334 A HN 0.772 nan 8.150 nan 0.000 0.456 335 I N 1.787 122.419 120.570 0.105 0.000 2.382 335 I HA 0.302 4.464 4.170 -0.013 0.000 0.286 335 I C -0.316 175.886 176.117 0.142 0.000 1.002 335 I CA -0.531 60.839 61.300 0.117 0.000 1.135 335 I CB 1.922 39.972 38.000 0.084 0.000 1.288 335 I HN 0.692 nan 8.210 nan 0.000 0.448 336 Q N 6.796 126.676 119.800 0.134 0.000 2.314 336 Q HA 0.504 4.836 4.340 -0.013 0.000 0.259 336 Q C -1.325 174.667 176.000 -0.013 0.000 0.951 336 Q CA -0.255 55.652 55.803 0.173 0.000 0.909 336 Q CB 1.289 30.236 28.738 0.349 0.000 1.236 336 Q HN 0.571 nan 8.270 nan 0.000 0.444 337 L N 3.798 125.053 121.223 0.053 0.000 2.261 337 L HA 0.392 4.724 4.340 -0.013 0.000 0.289 337 L C 0.072 176.961 176.870 0.032 0.000 1.059 337 L CA -0.741 54.120 54.840 0.035 0.000 0.816 337 L CB 0.656 42.784 42.059 0.115 0.000 1.191 337 L HN 0.568 nan 8.230 nan 0.000 0.431 338 N N 4.780 123.421 118.700 -0.099 0.000 2.508 338 N HA 0.043 4.775 4.740 -0.013 0.000 0.253 338 N C -0.059 175.460 175.510 0.016 0.000 1.145 338 N CA 0.521 53.564 53.050 -0.012 0.000 0.973 338 N CB -0.120 38.280 38.487 -0.145 0.000 1.305 338 N HN 0.666 nan 8.380 nan 0.000 0.506 339 D N -0.310 120.193 120.400 0.172 0.000 4.160 339 D HA -0.234 4.399 4.640 -0.013 0.000 0.291 339 D C 0.208 176.585 176.300 0.129 0.000 2.226 339 D CA 1.545 55.631 54.000 0.145 0.000 1.157 339 D CB -0.446 40.217 40.800 -0.228 0.000 1.020 339 D HN 0.517 nan 8.370 nan 0.000 1.219 340 T N -2.454 112.117 114.554 0.030 0.000 3.129 340 T HA 0.072 4.414 4.350 -0.013 0.000 0.251 340 T C 1.568 176.333 174.700 0.107 0.000 1.117 340 T CA 1.428 63.534 62.100 0.010 0.000 1.034 340 T CB -0.483 68.368 68.868 -0.028 0.000 0.968 340 T HN 0.481 nan 8.240 nan 0.000 0.526 341 H N 2.699 121.852 119.070 0.138 0.000 2.353 341 H HA -0.012 4.536 4.556 -0.013 0.000 0.298 341 H C -0.850 174.561 175.328 0.139 0.000 1.103 341 H CA 1.060 57.203 56.048 0.158 0.000 1.293 341 H CB -1.082 28.773 29.762 0.155 0.000 1.372 341 H HN 0.435 nan 8.280 nan 0.000 0.501 342 P HA 0.074 nan 4.420 nan 0.000 0.249 342 P C 0.696 178.035 177.300 0.066 0.000 1.583 342 P CA 0.363 63.537 63.100 0.123 0.000 0.988 342 P CB 0.255 32.015 31.700 0.101 0.000 1.530 343 S N -0.264 115.468 115.700 0.052 0.000 2.440 343 S HA -0.135 4.327 4.470 -0.013 0.000 0.238 343 S C 1.756 176.354 174.600 -0.003 0.000 1.010 343 S CA 0.793 58.985 58.200 -0.013 0.000 0.972 343 S CB -1.484 61.685 63.200 -0.053 0.000 0.774 343 S HN 0.158 nan 8.310 nan 0.000 0.501 344 L N 1.048 122.284 121.223 0.021 0.000 2.450 344 L HA -0.006 4.326 4.340 -0.013 0.000 0.224 344 L C 2.947 179.846 176.870 0.048 0.000 1.149 344 L CA 0.633 55.486 54.840 0.021 0.000 0.816 344 L CB -0.799 41.270 42.059 0.016 0.000 0.932 344 L HN 0.472 nan 8.230 nan 0.000 0.449 345 A N 0.615 123.448 122.820 0.021 0.000 1.948 345 A HA -0.221 4.091 4.320 -0.013 0.000 0.220 345 A C 2.179 179.762 177.584 -0.002 0.000 1.177 345 A CA 1.637 53.674 52.037 -0.001 0.000 0.636 345 A CB -0.497 18.494 19.000 -0.014 0.000 0.815 345 A HN 0.380 nan 8.150 nan 0.000 0.449 346 I N 0.216 120.786 120.570 0.000 0.000 2.090 346 I HA -0.145 4.017 4.170 -0.013 0.000 0.236 346 I C -0.345 175.791 176.117 0.032 0.000 1.064 346 I CA 1.593 62.893 61.300 -0.001 0.000 1.324 346 I CB -0.983 37.017 38.000 0.000 0.000 1.044 346 I HN 0.246 nan 8.210 nan 0.000 0.399 347 P HA -0.168 nan 4.420 nan 0.000 0.221 347 P C 1.273 178.607 177.300 0.058 0.000 1.150 347 P CA 1.453 64.592 63.100 0.064 0.000 0.800 347 P CB 0.026 31.785 31.700 0.097 0.000 0.787 348 E N 0.299 120.593 120.200 0.157 0.000 2.072 348 E HA -0.160 4.182 4.350 -0.013 0.000 0.191 348 E C 1.900 178.491 176.600 -0.015 0.000 0.985 348 E CA 0.755 57.258 56.400 0.172 0.000 0.801 348 E CB -1.221 28.616 29.700 0.229 0.000 0.750 348 E HN 0.014 nan 8.360 nan 0.000 0.452 349 L N -0.076 121.107 121.223 -0.066 0.000 2.056 349 L HA -0.088 4.244 4.340 -0.013 0.000 0.207 349 L C 2.070 178.803 176.870 -0.229 0.000 1.078 349 L CA 1.718 56.460 54.840 -0.163 0.000 0.749 349 L CB -0.573 41.392 42.059 -0.156 0.000 0.901 349 L HN 0.223 nan 8.230 nan 0.000 0.433 350 M N -0.710 118.772 119.600 -0.197 0.000 2.080 350 M HA -0.227 4.246 4.480 -0.013 0.000 0.260 350 M C 2.434 178.573 176.300 -0.269 0.000 1.068 350 M CA 1.614 56.745 55.300 -0.280 0.000 1.109 350 M CB -1.228 31.193 32.600 -0.297 0.000 1.342 350 M HN 0.339 nan 8.290 nan 0.000 0.405 351 R N 0.064 120.432 120.500 -0.220 0.000 2.080 351 R HA -0.144 4.188 4.340 -0.013 0.000 0.236 351 R C 2.078 178.273 176.300 -0.176 0.000 1.137 351 R CA 1.827 57.797 56.100 -0.217 0.000 0.943 351 R CB -0.233 29.887 30.300 -0.300 0.000 0.846 351 R HN 0.215 nan 8.270 nan 0.000 0.431 352 V N 1.461 121.272 119.914 -0.173 0.000 2.295 352 V HA -0.259 3.853 4.120 -0.013 0.000 0.246 352 V C 2.428 178.360 176.094 -0.270 0.000 1.049 352 V CA 1.800 63.991 62.300 -0.182 0.000 1.024 352 V CB -0.431 31.287 31.823 -0.176 0.000 0.648 352 V HN 0.349 nan 8.190 nan 0.000 0.447 353 L N -0.609 120.390 121.223 -0.373 0.000 2.046 353 L HA -0.130 4.203 4.340 -0.013 0.000 0.208 353 L C 2.395 179.080 176.870 -0.308 0.000 1.077 353 L CA 1.105 55.658 54.840 -0.478 0.000 0.747 353 L CB -0.616 41.111 42.059 -0.554 0.000 0.896 353 L HN 0.211 nan 8.230 nan 0.000 0.432 354 V N -0.590 119.185 119.914 -0.232 0.000 2.331 354 V HA -0.182 3.930 4.120 -0.013 0.000 0.242 354 V C 1.928 177.977 176.094 -0.076 0.000 1.034 354 V CA 1.696 63.920 62.300 -0.127 0.000 1.027 354 V CB -0.334 31.438 31.823 -0.085 0.000 0.667 354 V HN 0.337 nan 8.190 nan 0.000 0.457 355 D N -0.198 120.153 120.400 -0.083 0.000 2.194 355 D HA 0.019 4.651 4.640 -0.013 0.000 0.204 355 D C 1.968 178.241 176.300 -0.046 0.000 0.964 355 D CA 1.099 55.070 54.000 -0.049 0.000 0.846 355 D CB 0.153 40.921 40.800 -0.052 0.000 0.962 355 D HN 0.338 nan 8.370 nan 0.000 0.490 356 L N -0.007 121.173 121.223 -0.071 0.000 2.445 356 L HA 0.156 4.488 4.340 -0.013 0.000 0.207 356 L C 1.798 178.638 176.870 -0.049 0.000 1.053 356 L CA 0.370 55.180 54.840 -0.050 0.000 0.841 356 L CB 0.150 42.180 42.059 -0.048 0.000 1.074 356 L HN -0.206 nan 8.230 nan 0.000 0.479 357 E N 0.424 120.561 120.200 -0.104 0.000 2.447 357 E HA 0.048 4.390 4.350 -0.013 0.000 0.195 357 E C 0.023 176.588 176.600 -0.058 0.000 1.028 357 E CA -0.035 56.311 56.400 -0.090 0.000 0.876 357 E CB 0.381 29.922 29.700 -0.264 0.000 0.885 357 E HN 0.189 nan 8.360 nan 0.000 0.500 358 R N -0.142 120.319 120.500 -0.066 0.000 3.531 358 R HA -0.182 4.150 4.340 -0.013 0.000 0.280 358 R C -0.340 175.945 176.300 -0.024 0.000 1.130 358 R CA 0.233 56.317 56.100 -0.027 0.000 0.757 358 R CB -2.986 27.316 30.300 0.003 0.000 1.218 358 R HN 0.085 nan 8.270 nan 0.000 0.454 359 L N 2.110 123.290 121.223 -0.071 0.000 2.436 359 L HA 0.151 4.483 4.340 -0.013 0.000 0.265 359 L C 1.543 178.405 176.870 -0.014 0.000 1.168 359 L CA 0.283 55.091 54.840 -0.052 0.000 0.815 359 L CB 0.398 42.382 42.059 -0.126 0.000 1.109 359 L HN 0.167 nan 8.230 nan 0.000 0.462 360 D N 0.760 121.177 120.400 0.027 0.000 2.357 360 D HA -0.132 4.500 4.640 -0.013 0.000 0.242 360 D C 0.881 177.245 176.300 0.107 0.000 1.153 360 D CA -0.547 53.502 54.000 0.082 0.000 0.918 360 D CB 0.728 41.583 40.800 0.091 0.000 1.181 360 D HN 0.604 nan 8.370 nan 0.000 0.435 361 W N 1.615 122.915 121.300 0.000 0.000 2.317 361 W HA -0.231 4.421 4.660 -0.013 0.000 0.318 361 W C 1.121 177.679 176.519 0.065 0.000 1.227 361 W CA 1.941 59.291 57.345 0.009 0.000 1.269 361 W CB -0.317 29.127 29.460 -0.025 0.000 1.155 361 W HN 0.457 nan 8.180 nan 0.000 0.484 362 D N 0.287 120.880 120.400 0.322 0.000 2.123 362 D HA -0.202 4.430 4.640 -0.013 0.000 0.196 362 D C 1.884 178.284 176.300 0.166 0.000 0.992 362 D CA 1.963 56.127 54.000 0.274 0.000 0.833 362 D CB -0.438 40.495 40.800 0.221 0.000 0.954 362 D HN 0.080 nan 8.370 nan 0.000 0.455 363 K N 1.292 121.748 120.400 0.094 0.000 2.057 363 K HA 0.018 4.330 4.320 -0.013 0.000 0.206 363 K C 1.845 178.437 176.600 -0.015 0.000 1.050 363 K CA 1.486 57.801 56.287 0.047 0.000 0.935 363 K CB -0.622 31.901 32.500 0.039 0.000 0.715 363 K HN -0.010 nan 8.250 nan 0.000 0.439 364 A N 0.696 123.464 122.820 -0.086 0.000 1.908 364 A HA -0.198 4.115 4.320 -0.013 0.000 0.218 364 A C 2.281 179.773 177.584 -0.153 0.000 1.181 364 A CA 1.585 53.504 52.037 -0.198 0.000 0.627 364 A CB -1.249 17.564 19.000 -0.312 0.000 0.818 364 A HN 0.704 nan 8.150 nan 0.000 0.445 365 W N 0.567 121.664 121.300 -0.339 0.000 2.381 365 W HA -0.168 4.485 4.660 -0.013 0.000 0.301 365 W C 2.005 178.467 176.519 -0.096 0.000 1.205 365 W CA 1.763 58.957 57.345 -0.250 0.000 1.285 365 W CB -0.123 29.225 29.460 -0.187 0.000 1.133 365 W HN 0.624 nan 8.180 nan 0.000 0.521 366 E N 0.153 120.345 120.200 -0.012 0.000 2.058 366 E HA -0.236 4.106 4.350 -0.013 0.000 0.194 366 E C 2.032 178.557 176.600 -0.125 0.000 0.997 366 E CA 2.051 58.407 56.400 -0.073 0.000 0.801 366 E CB -0.346 29.367 29.700 0.022 0.000 0.746 366 E HN 0.050 nan 8.360 nan 0.000 0.450 367 V N 0.669 120.524 119.914 -0.099 0.000 2.295 367 V HA -0.259 3.854 4.120 -0.013 0.000 0.246 367 V C 2.393 178.426 176.094 -0.102 0.000 1.049 367 V CA 2.196 64.456 62.300 -0.066 0.000 1.024 367 V CB -0.760 31.016 31.823 -0.077 0.000 0.648 367 V HN 0.403 nan 8.190 nan 0.000 0.447 368 T N 0.067 114.490 114.554 -0.218 0.000 2.684 368 T HA -0.181 4.162 4.350 -0.013 0.000 0.267 368 T C 1.943 176.470 174.700 -0.289 0.000 1.036 368 T CA 1.780 63.727 62.100 -0.256 0.000 1.148 368 T CB -0.296 68.369 68.868 -0.339 0.000 0.863 368 T HN 0.281 nan 8.240 nan 0.000 0.436 369 V N 1.397 121.027 119.914 -0.472 0.000 2.295 369 V HA -0.175 3.938 4.120 -0.013 0.000 0.246 369 V C 2.375 178.427 176.094 -0.069 0.000 1.049 369 V CA 1.638 63.717 62.300 -0.369 0.000 1.024 369 V CB -0.503 31.023 31.823 -0.495 0.000 0.648 369 V HN 0.454 nan 8.190 nan 0.000 0.447 370 K N -0.444 119.897 120.400 -0.097 0.000 2.283 370 K HA -0.101 4.212 4.320 -0.013 0.000 0.202 370 K C 2.097 178.663 176.600 -0.056 0.000 1.048 370 K CA 1.578 57.788 56.287 -0.128 0.000 0.948 370 K CB -0.214 32.213 32.500 -0.122 0.000 0.742 370 K HN 0.476 nan 8.250 nan 0.000 0.458 371 T N 0.064 114.649 114.554 0.051 0.000 2.976 371 T HA 0.024 4.366 4.350 -0.013 0.000 0.257 371 T C 0.859 175.668 174.700 0.181 0.000 1.051 371 T CA 0.393 62.558 62.100 0.109 0.000 1.141 371 T CB 0.128 69.092 68.868 0.161 0.000 0.881 371 T HN 0.161 nan 8.240 nan 0.000 0.461 372 C N 2.304 121.697 119.300 0.155 0.000 2.365 372 C HA 0.891 5.343 4.460 -0.013 0.000 0.351 372 C C 0.554 175.596 174.990 0.086 0.000 1.240 372 C CA -1.147 57.937 59.018 0.109 0.000 2.062 372 C CB 0.185 27.928 27.740 0.006 0.000 2.387 372 C HN 0.596 nan 8.230 nan 0.000 0.537 373 A N 2.116 124.980 122.820 0.073 0.000 2.539 373 A HA 0.788 5.101 4.320 -0.013 0.000 0.296 373 A C -1.636 176.019 177.584 0.119 0.000 1.073 373 A CA -0.433 51.596 52.037 -0.013 0.000 0.700 373 A CB 1.127 20.109 19.000 -0.029 0.000 1.296 373 A HN 0.958 nan 8.150 nan 0.000 0.405 374 Y N 0.906 121.156 120.300 -0.083 0.000 2.391 374 Y HA 0.638 5.181 4.550 -0.012 0.000 0.341 374 Y C -0.649 175.229 175.900 -0.036 0.000 0.965 374 Y CA -0.332 57.729 58.100 -0.064 0.000 1.067 374 Y CB 2.109 40.487 38.460 -0.137 0.000 1.199 374 Y HN 0.586 nan 8.280 nan 0.000 0.450 375 T N 6.479 120.822 114.554 -0.352 0.000 2.770 375 T HA 0.202 4.544 4.350 -0.013 0.000 0.283 375 T C -0.831 173.425 174.700 -0.741 0.000 0.988 375 T CA -0.800 61.028 62.100 -0.454 0.000 0.957 375 T CB 0.542 69.371 68.868 -0.065 0.000 0.930 375 T HN 0.651 nan 8.240 nan 0.000 0.443 376 N N 1.697 119.962 118.700 -0.725 0.000 2.456 376 N HA 0.150 4.882 4.740 -0.013 0.000 0.288 376 N C 0.035 175.438 175.510 -0.179 0.000 1.059 376 N CA -0.349 52.503 53.050 -0.329 0.000 0.946 376 N CB 0.822 39.273 38.487 -0.060 0.000 1.150 376 N HN 0.679 nan 8.380 nan 0.000 0.479 377 H N 0.854 119.954 119.070 0.050 0.000 2.893 377 H HA 0.155 4.704 4.556 -0.013 0.000 0.270 377 H C -0.186 175.069 175.328 -0.122 0.000 1.095 377 H CA -0.001 56.030 56.048 -0.028 0.000 1.186 377 H CB 1.225 30.974 29.762 -0.022 0.000 1.562 377 H HN 0.514 nan 8.280 nan 0.000 0.536 378 T N 0.286 114.875 114.554 0.059 0.000 2.840 378 T HA 0.251 4.593 4.350 -0.013 0.000 0.317 378 T C 0.461 175.183 174.700 0.037 0.000 1.401 378 T CA -0.375 61.705 62.100 -0.034 0.000 1.028 378 T CB 1.508 70.354 68.868 -0.037 0.000 1.317 378 T HN -0.034 nan 8.240 nan 0.000 0.495 379 V N 1.596 121.489 119.914 -0.034 0.000 3.528 379 V HA 0.552 4.664 4.120 -0.013 0.000 0.294 379 V C 0.672 176.726 176.094 -0.066 0.000 1.404 379 V CA -0.044 62.228 62.300 -0.046 0.000 1.065 379 V CB -0.368 31.428 31.823 -0.044 0.000 0.904 379 V HN 0.697 nan 8.190 nan 0.000 0.435 380 L N 3.074 124.248 121.223 -0.082 0.000 2.477 380 L HA 0.215 4.547 4.340 -0.013 0.000 0.272 380 L C -0.611 176.258 176.870 -0.002 0.000 1.157 380 L CA -0.931 53.884 54.840 -0.041 0.000 0.889 380 L CB 0.953 42.974 42.059 -0.064 0.000 1.158 380 L HN 0.154 nan 8.230 nan 0.000 0.473 381 P HA -0.199 nan 4.420 nan 0.000 0.216 381 P C 0.981 178.290 177.300 0.015 0.000 1.150 381 P CA 1.197 64.302 63.100 0.007 0.000 0.837 381 P CB 0.068 31.779 31.700 0.018 0.000 0.786 382 E N 0.323 120.565 120.200 0.070 0.000 2.418 382 E HA -0.041 4.301 4.350 -0.013 0.000 0.197 382 E C 1.644 178.245 176.600 0.002 0.000 1.026 382 E CA 0.987 57.435 56.400 0.081 0.000 0.862 382 E CB -0.729 29.146 29.700 0.293 0.000 0.799 382 E HN 0.185 nan 8.360 nan 0.000 0.518 383 A N 1.345 124.184 122.820 0.031 0.000 2.132 383 A HA 0.206 4.518 4.320 -0.013 0.000 0.213 383 A C 1.391 178.957 177.584 -0.029 0.000 1.154 383 A CA -0.247 51.810 52.037 0.034 0.000 0.753 383 A CB -0.167 18.872 19.000 0.064 0.000 0.826 383 A HN 0.158 nan 8.150 nan 0.000 0.469 384 L N 1.449 122.615 121.223 -0.096 0.000 2.453 384 L HA 0.100 4.432 4.340 -0.013 0.000 0.272 384 L C -0.025 176.525 176.870 -0.532 0.000 1.182 384 L CA -0.127 54.597 54.840 -0.194 0.000 0.858 384 L CB 0.468 42.440 42.059 -0.144 0.000 1.120 384 L HN 0.340 nan 8.230 nan 0.000 0.474 385 E N 4.295 124.095 120.200 -0.666 0.000 2.217 385 E HA 0.200 4.543 4.350 -0.013 0.000 0.279 385 E C -0.563 175.403 176.600 -1.056 0.000 1.068 385 E CA -0.120 55.439 56.400 -1.401 0.000 0.882 385 E CB 0.655 29.878 29.700 -0.795 0.000 1.039 385 E HN 0.392 nan 8.360 nan 0.000 0.418 386 R N 3.828 123.553 120.500 -1.292 0.000 2.487 386 R HA 0.183 4.515 4.340 -0.013 0.000 0.288 386 R C -1.221 174.892 176.300 -0.312 0.000 1.394 386 R CA -0.571 55.211 56.100 -0.530 0.000 1.155 386 R CB 0.807 30.928 30.300 -0.297 0.000 1.156 386 R HN 0.455 nan 8.270 nan 0.000 0.553 387 W N 4.368 125.604 121.300 -0.107 0.000 2.311 387 W HA 0.250 4.903 4.660 -0.013 0.000 0.310 387 W C -1.873 174.620 176.519 -0.044 0.000 1.274 387 W CA -2.076 55.277 57.345 0.014 0.000 1.215 387 W CB 0.694 30.141 29.460 -0.022 0.000 1.227 387 W HN 0.247 nan 8.180 nan 0.000 0.523 388 P HA -0.104 nan 4.420 nan 0.000 0.262 388 P C 0.791 178.023 177.300 -0.113 0.000 1.182 388 P CA 0.288 63.350 63.100 -0.062 0.000 0.761 388 P CB 0.682 32.163 31.700 -0.365 0.000 0.795 389 V N 3.337 123.232 119.914 -0.031 0.000 2.392 389 V HA -0.284 3.828 4.120 -0.013 0.000 0.249 389 V C 2.117 178.213 176.094 0.004 0.000 1.059 389 V CA 2.520 64.825 62.300 0.009 0.000 1.051 389 V CB -1.674 30.215 31.823 0.110 0.000 0.658 389 V HN 0.756 nan 8.190 nan 0.000 0.455 390 H N -1.052 118.075 119.070 0.095 0.000 2.423 390 H HA -0.080 4.469 4.556 -0.013 0.000 0.297 390 H C 2.034 177.410 175.328 0.079 0.000 1.075 390 H CA 1.585 57.685 56.048 0.086 0.000 1.342 390 H CB -0.643 29.171 29.762 0.087 0.000 1.395 390 H HN 0.342 nan 8.280 nan 0.000 0.530 391 L N 0.054 121.154 121.223 -0.205 0.000 1.994 391 L HA -0.136 4.196 4.340 -0.013 0.000 0.208 391 L C 2.448 179.280 176.870 -0.065 0.000 1.071 391 L CA 1.259 56.069 54.840 -0.050 0.000 0.745 391 L CB -0.326 41.698 42.059 -0.058 0.000 0.892 391 L HN 0.321 nan 8.230 nan 0.000 0.431 392 L N -0.660 120.498 121.223 -0.109 0.000 2.083 392 L HA -0.235 4.097 4.340 -0.013 0.000 0.209 392 L C 2.491 179.299 176.870 -0.103 0.000 1.083 392 L CA 1.131 55.877 54.840 -0.156 0.000 0.752 392 L CB -0.461 41.491 42.059 -0.177 0.000 0.899 392 L HN 0.310 nan 8.230 nan 0.000 0.433 393 E N -0.277 119.904 120.200 -0.031 0.000 2.070 393 E HA -0.230 4.112 4.350 -0.013 0.000 0.197 393 E C 1.945 178.580 176.600 0.059 0.000 1.004 393 E CA 2.074 58.488 56.400 0.022 0.000 0.805 393 E CB 0.116 29.869 29.700 0.088 0.000 0.744 393 E HN 0.412 nan 8.360 nan 0.000 0.451 394 T N 0.390 115.002 114.554 0.096 0.000 2.894 394 T HA -0.059 4.283 4.350 -0.013 0.000 0.258 394 T C 1.667 176.470 174.700 0.171 0.000 1.043 394 T CA 0.709 62.915 62.100 0.176 0.000 1.141 394 T CB -0.071 68.933 68.868 0.227 0.000 0.873 394 T HN 0.067 nan 8.240 nan 0.000 0.449 395 L N -0.057 121.167 121.223 0.002 0.000 2.202 395 L HA 0.393 4.725 4.340 -0.013 0.000 0.205 395 L C 0.393 177.204 176.870 -0.098 0.000 1.083 395 L CA 1.489 56.217 54.840 -0.188 0.000 0.790 395 L CB 0.115 42.025 42.059 -0.248 0.000 0.942 395 L HN 0.157 nan 8.230 nan 0.000 0.452 396 L N 0.794 121.924 121.223 -0.156 0.000 2.625 396 L HA 0.292 4.624 4.340 -0.013 0.000 0.255 396 L C -1.710 174.983 176.870 -0.295 0.000 1.493 396 L CA -0.902 53.760 54.840 -0.296 0.000 0.796 396 L CB 0.873 42.613 42.059 -0.533 0.000 1.064 396 L HN -0.052 nan 8.230 nan 0.000 0.516 397 P HA -0.188 nan 4.420 nan 0.000 0.216 397 P C 1.445 178.555 177.300 -0.318 0.000 1.150 397 P CA 1.100 64.083 63.100 -0.195 0.000 0.837 397 P CB 0.384 32.045 31.700 -0.065 0.000 0.786 398 R N -0.129 120.001 120.500 -0.617 0.000 2.090 398 R HA -0.121 4.211 4.340 -0.013 0.000 0.228 398 R C 2.276 178.268 176.300 -0.514 0.000 1.110 398 R CA 1.615 57.351 56.100 -0.607 0.000 0.973 398 R CB -1.635 28.126 30.300 -0.898 0.000 0.869 398 R HN 0.245 nan 8.270 nan 0.000 0.440 399 H N -0.324 118.435 119.070 -0.517 0.000 2.387 399 H HA -0.037 4.511 4.556 -0.013 0.000 0.299 399 H C 1.800 176.951 175.328 -0.294 0.000 1.090 399 H CA 1.579 57.406 56.048 -0.369 0.000 1.332 399 H CB -0.105 29.402 29.762 -0.424 0.000 1.386 399 H HN 0.074 nan 8.280 nan 0.000 0.516 400 L N 0.594 121.688 121.223 -0.214 0.000 2.012 400 L HA -0.263 4.070 4.340 -0.013 0.000 0.210 400 L C 1.871 178.533 176.870 -0.348 0.000 1.073 400 L CA 1.687 56.329 54.840 -0.330 0.000 0.748 400 L CB -0.313 41.566 42.059 -0.300 0.000 0.891 400 L HN 0.461 nan 8.230 nan 0.000 0.431 401 Q N -0.335 119.368 119.800 -0.162 0.000 2.084 401 Q HA -0.237 4.095 4.340 -0.013 0.000 0.202 401 Q C 2.161 178.169 176.000 0.013 0.000 0.978 401 Q CA 1.648 57.447 55.803 -0.008 0.000 0.844 401 Q CB -0.127 28.619 28.738 0.013 0.000 0.898 401 Q HN 0.555 nan 8.270 nan 0.000 0.426 402 I N 0.453 121.012 120.570 -0.018 0.000 2.286 402 I HA -0.274 3.889 4.170 -0.013 0.000 0.248 402 I C 2.149 178.337 176.117 0.118 0.000 1.115 402 I CA 1.060 62.430 61.300 0.117 0.000 1.392 402 I CB -0.136 37.887 38.000 0.037 0.000 1.065 402 I HN 0.187 nan 8.210 nan 0.000 0.418 403 I N -0.589 119.971 120.570 -0.016 0.000 2.226 403 I HA -0.310 3.852 4.170 -0.013 0.000 0.245 403 I C 2.367 178.502 176.117 0.030 0.000 1.100 403 I CA 1.346 62.628 61.300 -0.030 0.000 1.374 403 I CB -0.369 37.550 38.000 -0.136 0.000 1.057 403 I HN 0.156 nan 8.210 nan 0.000 0.413 404 Y N 0.871 121.174 120.300 0.005 0.000 2.181 404 Y HA -0.271 4.271 4.550 -0.013 0.000 0.288 404 Y C 2.609 178.473 175.900 -0.060 0.000 1.146 404 Y CA 1.492 59.581 58.100 -0.018 0.000 1.164 404 Y CB -0.814 37.629 38.460 -0.029 0.000 0.982 404 Y HN 0.183 nan 8.280 nan 0.000 0.515 405 E N 0.411 120.648 120.200 0.063 0.000 2.077 405 E HA -0.151 4.191 4.350 -0.013 0.000 0.193 405 E C 2.092 178.602 176.600 -0.151 0.000 0.989 405 E CA 1.298 57.592 56.400 -0.177 0.000 0.800 405 E CB -0.551 28.889 29.700 -0.433 0.000 0.746 405 E HN 0.476 nan 8.360 nan 0.000 0.452 406 I N 0.609 121.199 120.570 0.032 0.000 2.163 406 I HA -0.301 3.861 4.170 -0.013 0.000 0.243 406 I C 2.288 178.409 176.117 0.006 0.000 1.085 406 I CA 1.443 62.722 61.300 -0.035 0.000 1.347 406 I CB -0.428 37.555 38.000 -0.027 0.000 1.044 406 I HN 0.213 nan 8.210 nan 0.000 0.408 407 N N 0.743 119.491 118.700 0.080 0.000 2.069 407 N HA -0.278 4.455 4.740 -0.013 0.000 0.191 407 N C 1.878 177.467 175.510 0.132 0.000 1.031 407 N CA 1.617 54.759 53.050 0.153 0.000 0.852 407 N CB -0.176 38.421 38.487 0.182 0.000 1.018 407 N HN 0.328 nan 8.380 nan 0.000 0.423 408 Q N 0.031 119.855 119.800 0.041 0.000 2.061 408 Q HA -0.150 4.182 4.340 -0.013 0.000 0.204 408 Q C 2.021 178.004 176.000 -0.028 0.000 0.984 408 Q CA 1.451 57.244 55.803 -0.017 0.000 0.846 408 Q CB -0.022 28.666 28.738 -0.084 0.000 0.902 408 Q HN 0.381 nan 8.270 nan 0.000 0.421 409 R N -0.703 119.759 120.500 -0.063 0.000 2.092 409 R HA -0.118 4.214 4.340 -0.013 0.000 0.231 409 R C 2.172 178.499 176.300 0.044 0.000 1.119 409 R CA 1.325 57.388 56.100 -0.062 0.000 0.970 409 R CB -0.361 29.849 30.300 -0.149 0.000 0.864 409 R HN 0.278 nan 8.270 nan 0.000 0.440 410 F N 1.399 121.327 119.950 -0.037 0.000 2.102 410 F HA -0.109 4.410 4.527 -0.013 0.000 0.298 410 F C 1.820 177.641 175.800 0.035 0.000 1.105 410 F CA 1.380 59.404 58.000 0.041 0.000 1.239 410 F CB -0.164 38.891 39.000 0.092 0.000 0.991 410 F HN -0.110 nan 8.300 nan 0.000 0.474 411 L N -0.066 121.177 121.223 0.033 0.000 2.201 411 L HA -0.213 4.120 4.340 -0.013 0.000 0.212 411 L C 1.960 178.771 176.870 -0.098 0.000 1.105 411 L CA 1.367 56.166 54.840 -0.069 0.000 0.775 411 L CB -0.865 41.211 42.059 0.029 0.000 0.913 411 L HN 0.257 nan 8.230 nan 0.000 0.440 412 N N -0.133 118.524 118.700 -0.070 0.000 2.166 412 N HA -0.166 4.566 4.740 -0.013 0.000 0.186 412 N C 1.907 177.365 175.510 -0.088 0.000 1.019 412 N CA 0.822 53.831 53.050 -0.069 0.000 0.856 412 N CB 0.019 38.472 38.487 -0.057 0.000 0.993 412 N HN 0.302 nan 8.380 nan 0.000 0.426 413 R N 0.510 120.937 120.500 -0.122 0.000 2.075 413 R HA -0.021 4.311 4.340 -0.013 0.000 0.232 413 R C 2.218 178.420 176.300 -0.165 0.000 1.126 413 R CA 0.770 56.791 56.100 -0.132 0.000 0.963 413 R CB -0.333 29.889 30.300 -0.131 0.000 0.858 413 R HN 0.065 nan 8.270 nan 0.000 0.435 414 V N 1.162 120.925 119.914 -0.252 0.000 2.332 414 V HA -0.267 3.845 4.120 -0.013 0.000 0.248 414 V C 2.446 178.538 176.094 -0.003 0.000 1.055 414 V CA 2.052 64.270 62.300 -0.136 0.000 1.038 414 V CB -0.742 30.931 31.823 -0.250 0.000 0.651 414 V HN 0.415 nan 8.190 nan 0.000 0.450 415 A N -0.102 122.688 122.820 -0.050 0.000 1.933 415 A HA -0.095 4.218 4.320 -0.013 0.000 0.218 415 A C 2.384 179.947 177.584 -0.034 0.000 1.175 415 A CA 2.045 54.068 52.037 -0.023 0.000 0.628 415 A CB -0.688 18.290 19.000 -0.037 0.000 0.814 415 A HN 0.583 nan 8.150 nan 0.000 0.444 416 A N -0.559 122.223 122.820 -0.065 0.000 1.968 416 A HA 0.291 4.604 4.320 -0.013 0.000 0.217 416 A C 2.359 179.860 177.584 -0.139 0.000 1.169 416 A CA 1.730 53.717 52.037 -0.083 0.000 0.638 416 A CB -0.648 18.306 19.000 -0.076 0.000 0.812 416 A HN 0.957 nan 8.150 nan 0.000 0.446 417 A N -1.723 120.977 122.820 -0.200 0.000 1.975 417 A HA 0.396 4.709 4.320 -0.013 0.000 0.215 417 A C 0.431 177.593 177.584 -0.703 0.000 1.170 417 A CA 0.476 52.234 52.037 -0.465 0.000 0.656 417 A CB -0.120 18.541 19.000 -0.565 0.000 0.821 417 A HN 0.408 nan 8.150 nan 0.000 0.449 418 F N 0.188 120.091 119.950 -0.079 0.000 2.622 418 F HA 0.343 4.862 4.527 -0.013 0.000 0.338 418 F C -2.781 172.983 175.800 -0.061 0.000 1.334 418 F CA -2.796 55.163 58.000 -0.069 0.000 1.179 418 F CB 0.862 39.812 39.000 -0.082 0.000 1.471 418 F HN -0.060 nan 8.300 nan 0.000 0.576 419 P HA 0.217 nan 4.420 nan 0.000 0.267 419 P C 1.002 178.321 177.300 0.032 0.000 1.205 419 P CA 0.832 63.943 63.100 0.018 0.000 0.765 419 P CB 1.001 32.693 31.700 -0.013 0.000 0.828 420 G N 2.385 111.197 108.800 0.020 0.000 2.205 420 G HA2 -0.246 3.707 3.960 -0.013 0.000 0.261 420 G HA3 -0.246 3.707 3.960 -0.013 0.000 0.261 420 G C 0.317 175.226 174.900 0.015 0.000 0.980 420 G CA 0.065 45.173 45.100 0.013 0.000 0.632 420 G HN 0.610 nan 8.290 nan 0.000 0.533 421 D N 1.359 121.777 120.400 0.029 0.000 2.551 421 D HA 0.381 5.013 4.640 -0.013 0.000 0.223 421 D C 2.091 178.382 176.300 -0.015 0.000 1.144 421 D CA 0.382 54.386 54.000 0.007 0.000 1.025 421 D CB 0.348 41.154 40.800 0.009 0.000 1.085 421 D HN 0.586 nan 8.370 nan 0.000 0.506 422 V N 0.490 120.397 119.914 -0.012 0.000 2.515 422 V HA -0.135 3.977 4.120 -0.013 0.000 0.250 422 V C 1.475 177.558 176.094 -0.019 0.000 1.058 422 V CA 1.199 63.491 62.300 -0.013 0.000 1.064 422 V CB -0.219 31.600 31.823 -0.007 0.000 0.675 422 V HN 0.130 nan 8.190 nan 0.000 0.461 423 D N 0.555 120.941 120.400 -0.024 0.000 2.144 423 D HA -0.121 4.511 4.640 -0.013 0.000 0.200 423 D C 2.272 178.546 176.300 -0.044 0.000 0.978 423 D CA 1.645 55.631 54.000 -0.024 0.000 0.833 423 D CB -0.328 40.458 40.800 -0.024 0.000 0.961 423 D HN 0.518 nan 8.370 nan 0.000 0.470 424 R N 0.462 120.913 120.500 -0.081 0.000 2.081 424 R HA -0.075 4.257 4.340 -0.013 0.000 0.235 424 R C 2.335 178.568 176.300 -0.112 0.000 1.131 424 R CA 0.767 56.783 56.100 -0.141 0.000 0.960 424 R CB -0.285 29.873 30.300 -0.237 0.000 0.856 424 R HN 0.171 nan 8.270 nan 0.000 0.436 425 L N 0.308 121.489 121.223 -0.070 0.000 2.042 425 L HA -0.207 4.125 4.340 -0.013 0.000 0.210 425 L C 2.938 179.809 176.870 0.003 0.000 1.076 425 L CA 1.702 56.520 54.840 -0.038 0.000 0.749 425 L CB -0.566 41.480 42.059 -0.021 0.000 0.893 425 L HN 0.297 nan 8.230 nan 0.000 0.432 426 R N 0.459 120.965 120.500 0.011 0.000 2.081 426 R HA -0.158 4.174 4.340 -0.013 0.000 0.235 426 R C 2.450 178.794 176.300 0.073 0.000 1.131 426 R CA 1.419 57.545 56.100 0.043 0.000 0.960 426 R CB -0.084 30.236 30.300 0.034 0.000 0.856 426 R HN 0.307 nan 8.270 nan 0.000 0.436 427 R N -0.339 120.188 120.500 0.044 0.000 2.115 427 R HA -0.039 4.293 4.340 -0.013 0.000 0.230 427 R C 2.160 178.524 176.300 0.106 0.000 1.111 427 R CA 1.604 57.753 56.100 0.081 0.000 0.976 427 R CB -0.093 30.222 30.300 0.024 0.000 0.870 427 R HN 0.329 nan 8.270 nan 0.000 0.445 428 M N 0.059 119.648 119.600 -0.019 0.000 2.509 428 M HA 0.046 4.518 4.480 -0.013 0.000 0.250 428 M C 0.859 177.254 176.300 0.158 0.000 1.132 428 M CA 0.001 55.223 55.300 -0.130 0.000 1.080 428 M CB 0.451 32.842 32.600 -0.349 0.000 1.408 428 M HN -0.081 nan 8.290 nan 0.000 0.484 429 S N 1.128 116.955 115.700 0.212 0.000 2.558 429 S HA 0.055 4.518 4.470 -0.013 0.000 0.288 429 S C 1.167 175.998 174.600 0.384 0.000 1.318 429 S CA -0.249 58.112 58.200 0.267 0.000 1.056 429 S CB 0.557 63.871 63.200 0.190 0.000 0.853 429 S HN 0.363 nan 8.310 nan 0.000 0.505 430 L N 4.108 125.519 121.223 0.313 0.000 2.291 430 L HA 0.084 4.417 4.340 -0.013 0.000 0.214 430 L C 0.393 177.379 176.870 0.194 0.000 1.120 430 L CA 0.340 55.336 54.840 0.261 0.000 0.799 430 L CB -0.482 41.670 42.059 0.156 0.000 0.925 430 L HN 0.398 nan 8.230 nan 0.000 0.446 431 V N 0.981 121.016 119.914 0.202 0.000 2.383 431 V HA 0.143 4.255 4.120 -0.013 0.000 0.275 431 V C 0.176 176.361 176.094 0.152 0.000 1.036 431 V CA -0.543 61.865 62.300 0.179 0.000 0.889 431 V CB 1.259 33.215 31.823 0.223 0.000 0.985 431 V HN 0.179 nan 8.190 nan 0.000 0.459 432 E N 3.108 123.379 120.200 0.118 0.000 2.200 432 E HA 0.337 4.679 4.350 -0.013 0.000 0.283 432 E C -0.536 176.118 176.600 0.090 0.000 1.015 432 E CA -0.549 55.910 56.400 0.099 0.000 0.819 432 E CB 1.673 31.412 29.700 0.065 0.000 1.081 432 E HN 0.584 nan 8.360 nan 0.000 0.397 433 E N 1.232 121.481 120.200 0.082 0.000 2.349 433 E HA 0.559 4.901 4.350 -0.013 0.000 0.265 433 E C 0.075 176.713 176.600 0.063 0.000 1.064 433 E CA 0.278 56.720 56.400 0.070 0.000 0.886 433 E CB 1.361 31.096 29.700 0.059 0.000 1.036 433 E HN 0.649 nan 8.360 nan 0.000 0.413 434 G N 0.593 109.429 108.800 0.060 0.000 2.356 434 G HA2 0.303 4.255 3.960 -0.013 0.000 0.266 434 G HA3 0.303 4.255 3.960 -0.013 0.000 0.266 434 G C 0.389 175.324 174.900 0.057 0.000 1.312 434 G CA 0.308 45.441 45.100 0.055 0.000 0.922 434 G HN 0.610 nan 8.290 nan 0.000 0.480 435 A N -0.815 122.038 122.820 0.055 0.000 1.852 435 A HA 0.281 4.594 4.320 -0.013 0.000 0.217 435 A C 1.782 179.411 177.584 0.075 0.000 1.215 435 A CA 3.854 55.925 52.037 0.057 0.000 0.641 435 A CB -1.271 17.761 19.000 0.054 0.000 0.838 435 A HN 2.331 nan 8.150 nan 0.000 0.450 436 V N -2.250 117.719 119.914 0.092 0.000 2.483 436 V HA 0.526 4.638 4.120 -0.013 0.000 0.295 436 V C -0.404 175.760 176.094 0.116 0.000 1.035 436 V CA -1.305 61.073 62.300 0.129 0.000 0.896 436 V CB 1.379 33.310 31.823 0.180 0.000 0.986 436 V HN 0.366 nan 8.190 nan 0.000 0.447 437 K N 4.597 125.074 120.400 0.129 0.000 2.350 437 K HA 0.463 4.775 4.320 -0.013 0.000 0.279 437 K C -0.354 176.311 176.600 0.108 0.000 1.027 437 K CA -0.130 56.228 56.287 0.118 0.000 0.969 437 K CB 0.928 33.511 32.500 0.138 0.000 0.954 437 K HN 0.750 nan 8.250 nan 0.000 0.474 438 R N 1.493 122.047 120.500 0.089 0.000 2.837 438 R HA 0.487 4.819 4.340 -0.013 0.000 0.271 438 R C -0.552 175.786 176.300 0.064 0.000 0.993 438 R CA -0.996 55.145 56.100 0.068 0.000 0.931 438 R CB 1.320 31.641 30.300 0.036 0.000 1.206 438 R HN 0.378 nan 8.270 nan 0.000 0.474 439 I N 1.854 122.457 120.570 0.055 0.000 2.336 439 I HA 0.172 4.334 4.170 -0.013 0.000 0.292 439 I C -0.203 175.901 176.117 -0.021 0.000 0.991 439 I CA -0.707 60.615 61.300 0.037 0.000 1.227 439 I CB 1.186 39.205 38.000 0.031 0.000 1.366 439 I HN 0.508 nan 8.210 nan 0.000 0.466 440 N N 7.020 125.683 118.700 -0.061 0.000 2.406 440 N HA 0.121 4.853 4.740 -0.013 0.000 0.251 440 N C 0.703 176.113 175.510 -0.166 0.000 1.069 440 N CA -0.332 52.601 53.050 -0.194 0.000 0.947 440 N CB 1.064 39.319 38.487 -0.386 0.000 1.111 440 N HN 0.386 nan 8.380 nan 0.000 0.497 441 M N 2.486 121.985 119.600 -0.168 0.000 2.319 441 M HA -0.011 4.461 4.480 -0.013 0.000 0.265 441 M C 1.881 178.038 176.300 -0.240 0.000 1.068 441 M CA 0.588 55.808 55.300 -0.133 0.000 1.118 441 M CB -1.468 31.101 32.600 -0.052 0.000 1.395 441 M HN 0.619 nan 8.290 nan 0.000 0.435 442 A N -0.460 122.208 122.820 -0.253 0.000 1.930 442 A HA -0.164 4.148 4.320 -0.013 0.000 0.217 442 A C 1.960 179.318 177.584 -0.378 0.000 1.175 442 A CA 1.415 53.265 52.037 -0.311 0.000 0.627 442 A CB -1.099 17.900 19.000 -0.001 0.000 0.815 442 A HN 0.588 nan 8.150 nan 0.000 0.443 443 H N -1.491 117.379 119.070 -0.333 0.000 2.389 443 H HA -0.084 4.465 4.556 -0.013 0.000 0.299 443 H C 2.068 177.187 175.328 -0.348 0.000 1.081 443 H CA 1.044 56.866 56.048 -0.377 0.000 1.345 443 H CB 0.006 29.750 29.762 -0.029 0.000 1.393 443 H HN 0.440 nan 8.280 nan 0.000 0.520 444 L N 0.567 121.711 121.223 -0.132 0.000 2.046 444 L HA -0.156 4.176 4.340 -0.013 0.000 0.208 444 L C 2.167 178.905 176.870 -0.221 0.000 1.077 444 L CA 1.418 56.177 54.840 -0.136 0.000 0.747 444 L CB -0.705 41.305 42.059 -0.083 0.000 0.896 444 L HN 0.284 nan 8.230 nan 0.000 0.432 445 C N -0.427 118.637 119.300 -0.393 0.000 2.425 445 C HA -0.091 4.361 4.460 -0.013 0.000 0.277 445 C C 2.699 177.428 174.990 -0.435 0.000 1.280 445 C CA 0.898 59.596 59.018 -0.533 0.000 1.744 445 C CB -0.892 26.135 27.740 -1.187 0.000 1.989 445 C HN 0.611 nan 8.230 nan 0.000 0.491 446 I N 1.348 121.624 120.570 -0.489 0.000 2.202 446 I HA -0.171 3.992 4.170 -0.013 0.000 0.242 446 I C 2.780 178.760 176.117 -0.228 0.000 1.091 446 I CA 1.553 62.615 61.300 -0.397 0.000 1.368 446 I CB -0.621 37.001 38.000 -0.630 0.000 1.058 446 I HN 0.244 nan 8.210 nan 0.000 0.410 447 A N 0.671 123.329 122.820 -0.270 0.000 1.917 447 A HA -0.162 4.150 4.320 -0.013 0.000 0.219 447 A C 2.204 179.837 177.584 0.081 0.000 1.182 447 A CA 2.097 54.018 52.037 -0.193 0.000 0.633 447 A CB -1.260 17.444 19.000 -0.494 0.000 0.819 447 A HN 0.497 nan 8.150 nan 0.000 0.448 448 G N -1.377 107.406 108.800 -0.028 0.000 3.337 448 G HA2 0.420 4.373 3.960 -0.013 0.000 0.246 448 G HA3 0.420 4.373 3.960 -0.013 0.000 0.246 448 G C 0.079 174.821 174.900 -0.264 0.000 1.131 448 G CA 0.495 45.457 45.100 -0.230 0.000 0.773 448 G HN 0.345 nan 8.290 nan 0.000 0.544 449 S N -0.129 115.470 115.700 -0.169 0.000 2.513 449 S HA 0.300 4.763 4.470 -0.013 0.000 0.299 449 S C 0.864 175.411 174.600 -0.087 0.000 1.087 449 S CA -0.698 57.427 58.200 -0.125 0.000 1.012 449 S CB 1.254 64.382 63.200 -0.120 0.000 1.044 449 S HN 0.509 nan 8.310 nan 0.000 0.485 450 H N 0.306 119.341 119.070 -0.059 0.000 2.529 450 H HA 0.394 4.943 4.556 -0.013 0.000 0.277 450 H C 0.192 175.514 175.328 -0.011 0.000 0.999 450 H CA 0.474 56.516 56.048 -0.010 0.000 1.256 450 H CB 0.123 29.891 29.762 0.011 0.000 1.402 450 H HN 0.507 nan 8.280 nan 0.000 0.566 451 A N 1.001 123.521 122.820 -0.499 0.000 2.455 451 A HA 0.558 4.871 4.320 -0.013 0.000 0.300 451 A C -1.363 176.027 177.584 -0.323 0.000 1.040 451 A CA -0.591 51.215 52.037 -0.385 0.000 0.697 451 A CB 2.270 21.017 19.000 -0.421 0.000 1.265 451 A HN 0.098 nan 8.150 nan 0.000 0.407 452 V N 4.201 123.889 119.914 -0.377 0.000 2.483 452 V HA 0.513 4.626 4.120 -0.013 0.000 0.297 452 V C -0.727 175.184 176.094 -0.305 0.000 1.027 452 V CA -0.790 61.279 62.300 -0.384 0.000 0.855 452 V CB 1.741 33.182 31.823 -0.636 0.000 0.995 452 V HN 1.003 nan 8.190 nan 0.000 0.424 453 N N 3.244 121.783 118.700 -0.268 0.000 2.240 453 N HA 0.613 5.345 4.740 -0.013 0.000 0.302 453 N C -0.223 175.181 175.510 -0.178 0.000 1.106 453 N CA -0.362 52.572 53.050 -0.195 0.000 0.778 453 N CB 2.905 41.257 38.487 -0.225 0.000 1.431 453 N HN 0.626 nan 8.380 nan 0.000 0.479 454 G N -0.702 108.026 108.800 -0.120 0.000 2.535 454 G HA2 0.423 4.375 3.960 -0.013 0.000 0.303 454 G HA3 0.423 4.375 3.960 -0.013 0.000 0.303 454 G C 0.731 175.681 174.900 0.083 0.000 1.237 454 G CA -0.448 44.622 45.100 -0.050 0.000 0.986 454 G HN 0.647 nan 8.290 nan 0.000 0.494 455 V N -3.960 116.132 119.914 0.296 0.000 3.380 455 V HA 0.705 4.817 4.120 -0.013 0.000 0.307 455 V C 0.528 176.702 176.094 0.134 0.000 1.434 455 V CA 0.427 62.812 62.300 0.143 0.000 1.075 455 V CB -0.672 31.186 31.823 0.059 0.000 0.954 455 V HN 1.341 nan 8.190 nan 0.000 0.444 456 A N 0.037 122.946 122.820 0.149 0.000 2.608 456 A HA 0.651 4.963 4.320 -0.013 0.000 0.292 456 A C 0.695 178.326 177.584 0.080 0.000 1.066 456 A CA -0.097 52.004 52.037 0.107 0.000 0.676 456 A CB 1.220 20.273 19.000 0.087 0.000 1.277 456 A HN 0.027 nan 8.150 nan 0.000 0.413 457 R N 0.716 121.244 120.500 0.046 0.000 2.083 457 R HA -0.135 4.198 4.340 -0.013 0.000 0.237 457 R C 1.613 177.911 176.300 -0.002 0.000 1.137 457 R CA 2.186 58.291 56.100 0.009 0.000 0.951 457 R CB -0.222 30.079 30.300 0.001 0.000 0.851 457 R HN 0.820 nan 8.270 nan 0.000 0.434 458 I N 0.361 120.939 120.570 0.013 0.000 2.286 458 I HA -0.298 3.864 4.170 -0.013 0.000 0.248 458 I C 2.360 178.489 176.117 0.019 0.000 1.115 458 I CA 1.837 63.138 61.300 0.001 0.000 1.392 458 I CB -0.234 37.765 38.000 -0.002 0.000 1.065 458 I HN 0.349 nan 8.210 nan 0.000 0.418 459 H N 0.356 119.396 119.070 -0.049 0.000 2.326 459 H HA -0.122 4.426 4.556 -0.013 0.000 0.301 459 H C 2.288 177.581 175.328 -0.058 0.000 1.081 459 H CA 2.213 58.227 56.048 -0.057 0.000 1.334 459 H CB -0.316 29.418 29.762 -0.048 0.000 1.385 459 H HN 0.227 nan 8.280 nan 0.000 0.504 460 S N 0.429 116.014 115.700 -0.191 0.000 2.383 460 S HA -0.134 4.328 4.470 -0.013 0.000 0.229 460 S C 1.892 176.373 174.600 -0.199 0.000 1.030 460 S CA 1.274 59.337 58.200 -0.228 0.000 1.002 460 S CB -0.084 63.049 63.200 -0.111 0.000 0.829 460 S HN 0.494 nan 8.310 nan 0.000 0.467 461 E N 1.115 121.222 120.200 -0.155 0.000 2.072 461 E HA 0.012 4.354 4.350 -0.013 0.000 0.190 461 E C 2.036 178.527 176.600 -0.182 0.000 0.982 461 E CA 0.615 56.915 56.400 -0.167 0.000 0.803 461 E CB -0.366 29.266 29.700 -0.114 0.000 0.755 461 E HN 0.512 nan 8.360 nan 0.000 0.453 462 I N 1.086 121.565 120.570 -0.153 0.000 2.264 462 I HA -0.275 3.888 4.170 -0.013 0.000 0.248 462 I C 2.400 178.397 176.117 -0.199 0.000 1.111 462 I CA 0.805 62.019 61.300 -0.144 0.000 1.382 462 I CB -0.247 37.702 38.000 -0.086 0.000 1.060 462 I HN 0.059 nan 8.210 nan 0.000 0.418 463 L N 0.385 121.455 121.223 -0.256 0.000 2.046 463 L HA -0.224 4.108 4.340 -0.013 0.000 0.208 463 L C 2.434 179.186 176.870 -0.197 0.000 1.077 463 L CA 1.582 56.281 54.840 -0.235 0.000 0.747 463 L CB -0.579 41.406 42.059 -0.123 0.000 0.896 463 L HN 0.209 nan 8.230 nan 0.000 0.432 464 K N -0.222 119.986 120.400 -0.319 0.000 2.296 464 K HA -0.080 4.232 4.320 -0.013 0.000 0.200 464 K C 1.909 178.304 176.600 -0.341 0.000 1.048 464 K CA 0.745 56.697 56.287 -0.558 0.000 0.966 464 K CB 0.133 32.037 32.500 -0.994 0.000 0.754 464 K HN 0.272 nan 8.250 nan 0.000 0.466 465 K N -0.451 119.813 120.400 -0.226 0.000 2.334 465 K HA 0.080 4.392 4.320 -0.013 0.000 0.195 465 K C 1.120 177.668 176.600 -0.087 0.000 1.045 465 K CA 0.722 56.930 56.287 -0.132 0.000 1.004 465 K CB 0.818 33.248 32.500 -0.118 0.000 0.837 465 K HN 0.017 nan 8.250 nan 0.000 0.510 466 T N 0.823 115.315 114.554 -0.104 0.000 3.257 466 T HA 0.100 4.442 4.350 -0.013 0.000 0.176 466 T C 1.752 176.404 174.700 -0.081 0.000 0.892 466 T CA -0.050 62.000 62.100 -0.083 0.000 1.147 466 T CB -0.177 68.635 68.868 -0.093 0.000 1.840 466 T HN 0.145 nan 8.240 nan 0.000 0.375 467 I N -0.820 119.638 120.570 -0.187 0.000 2.493 467 I HA 0.158 4.320 4.170 -0.013 0.000 0.254 467 I C 1.107 177.170 176.117 -0.091 0.000 1.160 467 I CA 1.715 62.871 61.300 -0.240 0.000 1.445 467 I CB -0.394 37.324 38.000 -0.471 0.000 1.086 467 I HN 0.192 nan 8.210 nan 0.000 0.433 468 F N 0.951 120.972 119.950 0.119 0.000 2.708 468 F HA 0.335 4.854 4.527 -0.013 0.000 0.300 468 F C 2.021 177.917 175.800 0.159 0.000 1.118 468 F CA -0.635 57.505 58.000 0.232 0.000 1.307 468 F CB 0.148 39.291 39.000 0.237 0.000 0.986 468 F HN -0.084 nan 8.300 nan 0.000 0.522 469 K N 1.124 121.642 120.400 0.196 0.000 2.059 469 K HA -0.231 4.081 4.320 -0.013 0.000 0.212 469 K C 1.364 178.029 176.600 0.107 0.000 1.050 469 K CA 2.297 58.644 56.287 0.101 0.000 0.927 469 K CB -0.039 32.483 32.500 0.037 0.000 0.714 469 K HN 0.153 nan 8.250 nan 0.000 0.447 470 D N -0.174 120.270 120.400 0.074 0.000 2.123 470 D HA -0.166 4.466 4.640 -0.013 0.000 0.196 470 D C 1.831 178.058 176.300 -0.121 0.000 0.992 470 D CA 1.291 55.207 54.000 -0.140 0.000 0.833 470 D CB -0.307 40.316 40.800 -0.295 0.000 0.954 470 D HN 0.259 nan 8.370 nan 0.000 0.455 471 F N -0.208 119.822 119.950 0.133 0.000 2.186 471 F HA -0.138 4.381 4.527 -0.013 0.000 0.299 471 F C 2.347 178.298 175.800 0.251 0.000 1.090 471 F CA 0.497 58.654 58.000 0.262 0.000 1.307 471 F CB -0.626 38.607 39.000 0.389 0.000 1.019 471 F HN -0.035 nan 8.300 nan 0.000 0.489 472 Y N 1.383 121.673 120.300 -0.015 0.000 2.224 472 Y HA -0.188 4.354 4.550 -0.013 0.000 0.289 472 Y C 2.098 177.979 175.900 -0.030 0.000 1.146 472 Y CA 1.580 59.481 58.100 -0.333 0.000 1.182 472 Y CB -0.595 37.466 38.460 -0.665 0.000 0.983 472 Y HN 0.134 nan 8.280 nan 0.000 0.524 473 E N -0.342 119.793 120.200 -0.108 0.000 2.106 473 E HA -0.202 4.141 4.350 -0.013 0.000 0.192 473 E C 2.015 178.667 176.600 0.087 0.000 0.984 473 E CA 1.262 57.615 56.400 -0.079 0.000 0.806 473 E CB -0.294 29.395 29.700 -0.019 0.000 0.750 473 E HN 0.431 nan 8.360 nan 0.000 0.458 474 L N 0.994 122.309 121.223 0.152 0.000 2.044 474 L HA -0.072 4.261 4.340 -0.013 0.000 0.205 474 L C 0.293 177.246 176.870 0.139 0.000 1.075 474 L CA 1.704 56.674 54.840 0.217 0.000 0.747 474 L CB 0.330 42.505 42.059 0.193 0.000 0.903 474 L HN -0.084 nan 8.230 nan 0.000 0.435 475 E N -0.230 120.048 120.200 0.131 0.000 3.386 475 E HA 0.179 4.522 4.350 -0.013 0.000 0.236 475 E C -1.995 174.551 176.600 -0.090 0.000 1.227 475 E CA -1.248 55.140 56.400 -0.020 0.000 0.970 475 E CB 0.759 30.447 29.700 -0.020 0.000 1.343 475 E HN 0.210 nan 8.360 nan 0.000 0.397 476 P HA -0.235 nan 4.420 nan 0.000 0.218 476 P C 1.060 178.470 177.300 0.184 0.000 1.148 476 P CA 1.459 64.486 63.100 -0.123 0.000 0.822 476 P CB -0.002 31.508 31.700 -0.318 0.000 0.784 477 H N -0.483 118.700 119.070 0.188 0.000 2.489 477 H HA 0.038 4.587 4.556 -0.013 0.000 0.293 477 H C 1.811 177.236 175.328 0.161 0.000 1.066 477 H CA 1.006 57.151 56.048 0.161 0.000 1.305 477 H CB -0.896 28.929 29.762 0.106 0.000 1.386 477 H HN 0.093 nan 8.280 nan 0.000 0.551 478 K N 0.066 120.395 120.400 -0.119 0.000 2.217 478 K HA 0.010 4.322 4.320 -0.013 0.000 0.202 478 K C -0.438 176.041 176.600 -0.202 0.000 1.051 478 K CA 0.338 56.528 56.287 -0.161 0.000 0.952 478 K CB 0.077 32.350 32.500 -0.379 0.000 0.736 478 K HN 0.222 nan 8.250 nan 0.000 0.453 479 F N 1.784 121.767 119.950 0.054 0.000 2.424 479 F HA 0.167 4.687 4.527 -0.013 0.000 0.356 479 F C 0.511 176.313 175.800 0.003 0.000 1.110 479 F CA -0.228 57.800 58.000 0.046 0.000 1.161 479 F CB 0.935 40.009 39.000 0.124 0.000 1.115 479 F HN -0.105 nan 8.300 nan 0.000 0.507 480 Q N 1.819 121.649 119.800 0.049 0.000 2.587 480 Q HA 0.356 4.688 4.340 -0.013 0.000 0.293 480 Q C -1.123 174.839 176.000 -0.064 0.000 1.083 480 Q CA -1.256 54.531 55.803 -0.027 0.000 0.792 480 Q CB 3.043 31.713 28.738 -0.114 0.000 1.484 480 Q HN 0.620 nan 8.270 nan 0.000 0.446 481 N N 0.679 119.325 118.700 -0.091 0.000 2.314 481 N HA 0.269 5.002 4.740 -0.013 0.000 0.304 481 N C -1.436 173.977 175.510 -0.161 0.000 1.073 481 N CA -0.396 52.595 53.050 -0.098 0.000 0.822 481 N CB 0.980 39.431 38.487 -0.061 0.000 1.280 481 N HN 0.269 nan 8.380 nan 0.000 0.489 482 K N 2.716 123.020 120.400 -0.159 0.000 2.664 482 K HA 0.191 4.503 4.320 -0.013 0.000 0.234 482 K C -0.939 175.667 176.600 0.009 0.000 0.980 482 K CA -0.503 55.669 56.287 -0.191 0.000 0.996 482 K CB 1.335 33.505 32.500 -0.550 0.000 1.190 482 K HN 0.543 nan 8.250 nan 0.000 0.479 483 T N 2.116 116.696 114.554 0.043 0.000 2.902 483 T HA 0.053 4.395 4.350 -0.013 0.000 0.301 483 T C 0.780 175.608 174.700 0.212 0.000 1.012 483 T CA 0.319 62.496 62.100 0.128 0.000 1.151 483 T CB 0.306 69.254 68.868 0.134 0.000 0.946 483 T HN 0.360 nan 8.240 nan 0.000 0.542 484 N N 0.526 119.370 118.700 0.241 0.000 2.340 484 N HA 0.415 5.148 4.740 -0.013 0.000 0.236 484 N C 0.481 176.179 175.510 0.313 0.000 1.296 484 N CA -0.188 53.037 53.050 0.292 0.000 0.896 484 N CB 0.413 39.013 38.487 0.187 0.000 1.127 484 N HN 0.760 nan 8.380 nan 0.000 0.442 485 G N -0.589 108.407 108.800 0.328 0.000 2.687 485 G HA2 0.625 4.577 3.960 -0.013 0.000 0.291 485 G HA3 0.625 4.577 3.960 -0.013 0.000 0.291 485 G C -1.373 173.665 174.900 0.230 0.000 1.420 485 G CA -0.726 44.550 45.100 0.294 0.000 0.796 485 G HN 0.602 nan 8.290 nan 0.000 0.485 486 I N -2.511 118.180 120.570 0.201 0.000 2.934 486 I HA 0.745 4.908 4.170 -0.013 0.000 0.306 486 I C -0.304 175.973 176.117 0.266 0.000 1.110 486 I CA -0.935 60.480 61.300 0.191 0.000 1.019 486 I CB 2.445 40.453 38.000 0.014 0.000 1.227 486 I HN 0.490 nan 8.210 nan 0.000 0.434 487 T N 4.068 118.833 114.554 0.352 0.000 2.761 487 T HA 0.365 4.707 4.350 -0.013 0.000 0.296 487 T C -1.490 173.328 174.700 0.197 0.000 0.934 487 T CA -1.611 60.620 62.100 0.219 0.000 1.091 487 T CB 0.746 69.690 68.868 0.128 0.000 0.896 487 T HN 0.618 nan 8.240 nan 0.000 0.515 488 P HA 0.055 nan 4.420 nan 0.000 0.237 488 P C 1.077 178.351 177.300 -0.043 0.000 1.178 488 P CA 0.316 63.456 63.100 0.067 0.000 0.766 488 P CB 0.335 32.059 31.700 0.040 0.000 0.876 489 R N 0.351 120.782 120.500 -0.115 0.000 2.056 489 R HA 0.019 4.352 4.340 -0.013 0.000 0.227 489 R C 2.651 178.837 176.300 -0.190 0.000 1.149 489 R CA 1.488 57.481 56.100 -0.179 0.000 0.937 489 R CB -1.212 28.987 30.300 -0.168 0.000 0.835 489 R HN 0.036 nan 8.270 nan 0.000 0.430 490 R N -0.810 119.516 120.500 -0.289 0.000 2.081 490 R HA -0.130 4.202 4.340 -0.013 0.000 0.235 490 R C 1.034 176.980 176.300 -0.590 0.000 1.131 490 R CA 1.733 57.494 56.100 -0.566 0.000 0.960 490 R CB -0.172 29.580 30.300 -0.914 0.000 0.856 490 R HN 0.303 nan 8.270 nan 0.000 0.436 491 W N -0.473 120.786 121.300 -0.068 0.000 3.388 491 W HA 0.179 4.831 4.660 -0.014 0.000 0.324 491 W C 0.935 177.424 176.519 -0.051 0.000 1.250 491 W CA -0.694 56.609 57.345 -0.070 0.000 1.809 491 W CB 0.477 29.900 29.460 -0.062 0.000 1.083 491 W HN 0.225 nan 8.180 nan 0.000 0.685 492 L N -2.334 118.946 121.223 0.095 0.000 2.511 492 L HA 0.175 4.507 4.340 -0.013 0.000 0.173 492 L C 1.728 178.614 176.870 0.026 0.000 1.160 492 L CA 0.734 55.622 54.840 0.080 0.000 0.964 492 L CB -0.767 41.365 42.059 0.121 0.000 1.892 492 L HN -0.249 nan 8.230 nan 0.000 0.497 493 V N 1.028 120.937 119.914 -0.008 0.000 2.295 493 V HA -0.252 3.860 4.120 -0.013 0.000 0.246 493 V C 2.409 178.477 176.094 -0.043 0.000 1.049 493 V CA 2.414 64.701 62.300 -0.022 0.000 1.024 493 V CB -0.660 31.127 31.823 -0.061 0.000 0.648 493 V HN 0.499 nan 8.190 nan 0.000 0.447 494 L N 0.499 121.666 121.223 -0.093 0.000 2.023 494 L HA -0.179 4.154 4.340 -0.013 0.000 0.205 494 L C 2.477 179.282 176.870 -0.109 0.000 1.073 494 L CA 2.361 57.128 54.840 -0.120 0.000 0.745 494 L CB -0.244 41.694 42.059 -0.201 0.000 0.900 494 L HN 0.652 nan 8.230 nan 0.000 0.435 495 C N -1.806 117.425 119.300 -0.115 0.000 2.563 495 C HA 0.214 4.666 4.460 -0.013 0.000 0.268 495 C C 1.157 176.128 174.990 -0.032 0.000 1.365 495 C CA -0.289 58.678 59.018 -0.085 0.000 1.754 495 C CB -0.949 26.739 27.740 -0.085 0.000 1.932 495 C HN 0.598 nan 8.230 nan 0.000 0.536 496 N N 1.123 119.815 118.700 -0.012 0.000 2.711 496 N HA 0.288 5.020 4.740 -0.013 0.000 0.263 496 N C -1.844 173.675 175.510 0.015 0.000 1.667 496 N CA -1.533 51.521 53.050 0.006 0.000 0.785 496 N CB 0.823 39.322 38.487 0.020 0.000 1.231 496 N HN 0.233 nan 8.380 nan 0.000 0.503 497 P HA -0.019 nan 4.420 nan 0.000 0.217 497 P C 1.447 178.760 177.300 0.023 0.000 1.150 497 P CA 0.859 63.969 63.100 0.015 0.000 0.832 497 P CB 0.207 31.909 31.700 0.003 0.000 0.787 498 G N 0.741 109.549 108.800 0.013 0.000 2.469 498 G HA2 -0.269 3.683 3.960 -0.013 0.000 0.219 498 G HA3 -0.269 3.683 3.960 -0.013 0.000 0.219 498 G C 1.527 176.434 174.900 0.011 0.000 1.150 498 G CA 0.832 45.937 45.100 0.009 0.000 0.763 498 G HN 0.260 nan 8.290 nan 0.000 0.561 499 L N 1.079 122.310 121.223 0.014 0.000 2.072 499 L HA 0.322 4.654 4.340 -0.013 0.000 0.205 499 L C 3.085 179.985 176.870 0.049 0.000 1.079 499 L CA 1.905 56.753 54.840 0.013 0.000 0.752 499 L CB -0.684 41.382 42.059 0.011 0.000 0.906 499 L HN 0.226 nan 8.230 nan 0.000 0.436 500 A N -0.764 122.106 122.820 0.084 0.000 1.940 500 A HA -0.260 4.052 4.320 -0.013 0.000 0.219 500 A C 2.231 179.913 177.584 0.164 0.000 1.176 500 A CA 1.884 54.024 52.037 0.172 0.000 0.631 500 A CB -0.615 18.477 19.000 0.154 0.000 0.814 500 A HN 0.541 nan 8.150 nan 0.000 0.446 501 E N 0.603 120.859 120.200 0.093 0.000 2.028 501 E HA -0.138 4.205 4.350 -0.013 0.000 0.190 501 E C 1.870 178.511 176.600 0.068 0.000 0.984 501 E CA 1.481 57.926 56.400 0.075 0.000 0.800 501 E CB -0.502 29.224 29.700 0.043 0.000 0.758 501 E HN 0.725 nan 8.360 nan 0.000 0.448 502 I N -1.502 119.101 120.570 0.055 0.000 2.454 502 I HA -0.161 4.001 4.170 -0.013 0.000 0.254 502 I C 2.089 178.280 176.117 0.123 0.000 1.156 502 I CA 1.154 62.499 61.300 0.075 0.000 1.433 502 I CB -0.357 37.665 38.000 0.037 0.000 1.082 502 I HN 0.035 nan 8.210 nan 0.000 0.432 503 I N 1.980 122.599 120.570 0.082 0.000 2.233 503 I HA -0.180 3.982 4.170 -0.013 0.000 0.243 503 I C 3.005 179.091 176.117 -0.051 0.000 1.093 503 I CA 1.358 62.641 61.300 -0.028 0.000 1.380 503 I CB -0.489 37.378 38.000 -0.223 0.000 1.067 503 I HN 0.290 nan 8.210 nan 0.000 0.413 504 A N 0.326 123.208 122.820 0.103 0.000 2.019 504 A HA -0.213 4.099 4.320 -0.013 0.000 0.219 504 A C 2.149 179.770 177.584 0.061 0.000 1.164 504 A CA 1.508 53.650 52.037 0.175 0.000 0.644 504 A CB -0.583 18.548 19.000 0.217 0.000 0.805 504 A HN 0.449 nan 8.150 nan 0.000 0.449 505 E N -0.616 119.601 120.200 0.028 0.000 2.118 505 E HA -0.209 4.133 4.350 -0.013 0.000 0.195 505 E C 2.189 178.761 176.600 -0.047 0.000 0.992 505 E CA 1.164 57.565 56.400 0.002 0.000 0.804 505 E CB -0.064 29.642 29.700 0.011 0.000 0.741 505 E HN 0.426 nan 8.360 nan 0.000 0.458 506 R N 0.145 120.561 120.500 -0.140 0.000 2.090 506 R HA 0.064 4.396 4.340 -0.013 0.000 0.219 506 R C 2.324 178.539 176.300 -0.142 0.000 1.100 506 R CA 0.877 56.818 56.100 -0.265 0.000 0.991 506 R CB -0.368 29.454 30.300 -0.795 0.000 0.893 506 R HN 0.354 nan 8.270 nan 0.000 0.443 507 I N -3.361 117.143 120.570 -0.109 0.000 4.154 507 I HA 0.449 4.611 4.170 -0.013 0.000 0.334 507 I C 0.454 176.611 176.117 0.067 0.000 1.371 507 I CA 0.147 61.434 61.300 -0.021 0.000 1.110 507 I CB 0.806 38.773 38.000 -0.054 0.000 1.085 507 I HN 0.167 nan 8.210 nan 0.000 0.398 508 G N 2.003 110.854 108.800 0.085 0.000 2.698 508 G HA2 -0.222 3.731 3.960 -0.013 0.000 0.225 508 G HA3 -0.222 3.731 3.960 -0.013 0.000 0.225 508 G C -0.031 174.989 174.900 0.200 0.000 1.345 508 G CA 0.213 45.380 45.100 0.112 0.000 0.871 508 G HN 0.417 nan 8.290 nan 0.000 0.540 509 E N -0.191 120.071 120.200 0.104 0.000 2.476 509 E HA 0.103 4.445 4.350 -0.013 0.000 0.199 509 E C 1.991 178.516 176.600 -0.125 0.000 1.021 509 E CA 0.300 56.695 56.400 -0.009 0.000 0.907 509 E CB 0.270 29.968 29.700 -0.004 0.000 0.974 509 E HN 0.632 nan 8.360 nan 0.000 0.489 510 E N 0.302 120.505 120.200 0.004 0.000 2.265 510 E HA -0.204 4.138 4.350 -0.013 0.000 0.196 510 E C 1.621 178.203 176.600 -0.030 0.000 0.996 510 E CA 0.969 57.369 56.400 0.001 0.000 0.832 510 E CB -0.152 29.577 29.700 0.048 0.000 0.756 510 E HN 0.483 nan 8.360 nan 0.000 0.491 511 Y N -0.654 119.647 120.300 0.002 0.000 2.403 511 Y HA -0.079 4.463 4.550 -0.012 0.000 0.291 511 Y C 1.790 177.664 175.900 -0.043 0.000 1.143 511 Y CA 0.555 58.648 58.100 -0.012 0.000 1.257 511 Y CB -0.548 37.908 38.460 -0.006 0.000 0.984 511 Y HN -0.069 nan 8.280 nan 0.000 0.550 512 I N 0.978 121.101 120.570 -0.744 0.000 2.361 512 I HA -0.238 3.924 4.170 -0.013 0.000 0.251 512 I C 1.635 177.503 176.117 -0.415 0.000 1.133 512 I CA 1.816 62.726 61.300 -0.650 0.000 1.413 512 I CB -0.375 37.139 38.000 -0.811 0.000 1.073 512 I HN 0.464 nan 8.210 nan 0.000 0.424 513 S N -1.965 113.590 115.700 -0.241 0.000 2.663 513 S HA 0.194 4.657 4.470 -0.013 0.000 0.243 513 S C 0.094 174.676 174.600 -0.031 0.000 1.009 513 S CA -0.495 57.638 58.200 -0.111 0.000 0.988 513 S CB 0.296 63.494 63.200 -0.003 0.000 0.896 513 S HN 0.296 nan 8.310 nan 0.000 0.502 514 D N 0.664 121.056 120.400 -0.014 0.000 2.934 514 D HA 0.215 4.847 4.640 -0.013 0.000 0.249 514 D C 0.262 176.600 176.300 0.064 0.000 1.293 514 D CA -0.376 53.639 54.000 0.025 0.000 0.812 514 D CB 0.362 41.181 40.800 0.031 0.000 1.439 514 D HN 0.096 nan 8.370 nan 0.000 0.555 515 L N 1.290 122.552 121.223 0.064 0.000 2.362 515 L HA 0.032 4.364 4.340 -0.013 0.000 0.219 515 L C 1.435 178.353 176.870 0.080 0.000 1.134 515 L CA 1.468 56.374 54.840 0.110 0.000 0.807 515 L CB -0.075 42.043 42.059 0.099 0.000 0.927 515 L HN 0.285 nan 8.230 nan 0.000 0.447 516 D N -0.654 119.771 120.400 0.042 0.000 2.265 516 D HA -0.222 4.410 4.640 -0.013 0.000 0.208 516 D C 1.846 178.164 176.300 0.031 0.000 0.977 516 D CA 0.854 54.865 54.000 0.018 0.000 0.871 516 D CB 0.078 40.877 40.800 -0.002 0.000 0.925 516 D HN 0.567 nan 8.370 nan 0.000 0.485 517 Q N -0.012 119.825 119.800 0.061 0.000 2.364 517 Q HA -0.045 4.287 4.340 -0.013 0.000 0.209 517 Q C 2.291 178.307 176.000 0.028 0.000 0.977 517 Q CA 0.242 56.082 55.803 0.062 0.000 0.885 517 Q CB 0.024 28.829 28.738 0.111 0.000 0.941 517 Q HN 0.396 nan 8.270 nan 0.000 0.464 518 L N 0.137 121.368 121.223 0.014 0.000 2.353 518 L HA -0.184 4.148 4.340 -0.013 0.000 0.220 518 L C 2.290 179.152 176.870 -0.014 0.000 1.133 518 L CA 0.835 55.648 54.840 -0.044 0.000 0.798 518 L CB -0.352 41.690 42.059 -0.029 0.000 0.922 518 L HN 0.209 nan 8.230 nan 0.000 0.445 519 R N 0.363 120.866 120.500 0.005 0.000 2.127 519 R HA -0.183 4.149 4.340 -0.013 0.000 0.238 519 R C 2.131 178.437 176.300 0.010 0.000 1.134 519 R CA 1.142 57.247 56.100 0.008 0.000 0.975 519 R CB -0.177 30.125 30.300 0.004 0.000 0.865 519 R HN 0.357 nan 8.270 nan 0.000 0.447 520 K N 0.532 120.939 120.400 0.010 0.000 2.286 520 K HA -0.131 4.181 4.320 -0.013 0.000 0.203 520 K C 1.795 178.438 176.600 0.071 0.000 1.045 520 K CA 0.918 57.222 56.287 0.029 0.000 0.935 520 K CB -0.081 32.440 32.500 0.035 0.000 0.737 520 K HN 0.229 nan 8.250 nan 0.000 0.460 521 L N 0.440 121.685 121.223 0.035 0.000 2.465 521 L HA -0.122 4.211 4.340 -0.013 0.000 0.224 521 L C 1.768 178.700 176.870 0.103 0.000 1.145 521 L CA -0.003 54.867 54.840 0.051 0.000 0.834 521 L CB -0.188 41.855 42.059 -0.026 0.000 0.944 521 L HN 0.139 nan 8.230 nan 0.000 0.451 522 L N 0.078 121.334 121.223 0.054 0.000 2.131 522 L HA -0.164 4.168 4.340 -0.013 0.000 0.210 522 L C 2.681 179.542 176.870 -0.016 0.000 1.092 522 L CA 1.873 56.731 54.840 0.031 0.000 0.759 522 L CB -0.974 41.091 42.059 0.010 0.000 0.903 522 L HN 0.346 nan 8.230 nan 0.000 0.435 523 S N -2.526 113.123 115.700 -0.085 0.000 2.660 523 S HA -0.087 4.375 4.470 -0.013 0.000 0.228 523 S C 1.170 175.485 174.600 -0.476 0.000 0.966 523 S CA 0.290 58.333 58.200 -0.261 0.000 0.940 523 S CB -0.552 62.453 63.200 -0.324 0.000 0.773 523 S HN 0.476 nan 8.310 nan 0.000 0.535 524 Y N -0.797 119.432 120.300 -0.119 0.000 2.500 524 Y HA 0.423 4.971 4.550 -0.003 0.000 0.246 524 Y C 1.922 177.850 175.900 0.045 0.000 1.146 524 Y CA -0.538 57.485 58.100 -0.129 0.000 1.230 524 Y CB 0.213 38.381 38.460 -0.488 0.000 1.214 524 Y HN 0.259 nan 8.280 nan 0.000 0.526 525 V N 0.535 120.535 119.914 0.143 0.000 2.594 525 V HA -0.219 3.893 4.120 -0.013 0.000 0.253 525 V C 0.894 177.056 176.094 0.113 0.000 1.069 525 V CA 2.240 64.627 62.300 0.145 0.000 1.082 525 V CB -0.037 31.834 31.823 0.081 0.000 0.680 525 V HN 0.351 nan 8.190 nan 0.000 0.469 526 D N -0.639 119.806 120.400 0.075 0.000 2.402 526 D HA 0.117 4.750 4.640 -0.013 0.000 0.216 526 D C 0.267 176.612 176.300 0.074 0.000 1.128 526 D CA -0.013 54.021 54.000 0.057 0.000 0.833 526 D CB 0.145 40.956 40.800 0.018 0.000 0.971 526 D HN 0.434 nan 8.370 nan 0.000 0.503 527 D N 1.440 121.920 120.400 0.133 0.000 2.339 527 D HA -0.003 4.629 4.640 -0.013 0.000 0.241 527 D C 1.083 177.489 176.300 0.176 0.000 1.183 527 D CA -0.084 54.016 54.000 0.166 0.000 0.859 527 D CB 1.622 42.590 40.800 0.280 0.000 1.067 527 D HN -0.195 nan 8.370 nan 0.000 0.484 528 E N 3.016 123.284 120.200 0.114 0.000 2.153 528 E HA -0.117 4.225 4.350 -0.013 0.000 0.194 528 E C 1.712 178.367 176.600 0.092 0.000 0.988 528 E CA 1.178 57.630 56.400 0.086 0.000 0.811 528 E CB 0.066 29.799 29.700 0.055 0.000 0.746 528 E HN 0.590 nan 8.360 nan 0.000 0.466 529 A N -0.276 122.615 122.820 0.119 0.000 1.873 529 A HA -0.129 4.183 4.320 -0.013 0.000 0.215 529 A C 2.188 179.860 177.584 0.147 0.000 1.186 529 A CA 1.239 53.344 52.037 0.114 0.000 0.616 529 A CB -0.948 18.122 19.000 0.117 0.000 0.823 529 A HN 0.430 nan 8.150 nan 0.000 0.442 530 F N 0.509 120.481 119.950 0.036 0.000 2.075 530 F HA -0.180 4.340 4.527 -0.012 0.000 0.297 530 F C 2.097 177.906 175.800 0.015 0.000 1.113 530 F CA 1.750 59.757 58.000 0.012 0.000 1.218 530 F CB -0.160 38.861 39.000 0.035 0.000 0.984 530 F HN 0.168 nan 8.300 nan 0.000 0.472 531 I N 0.303 120.911 120.570 0.064 0.000 2.145 531 I HA -0.422 3.740 4.170 -0.013 0.000 0.244 531 I C 2.615 178.680 176.117 -0.086 0.000 1.075 531 I CA 1.984 63.265 61.300 -0.032 0.000 1.332 531 I CB -0.571 37.455 38.000 0.044 0.000 1.033 531 I HN 0.151 nan 8.210 nan 0.000 0.410 532 R N 0.765 121.240 120.500 -0.042 0.000 2.096 532 R HA -0.189 4.143 4.340 -0.013 0.000 0.235 532 R C 1.877 178.126 176.300 -0.085 0.000 1.127 532 R CA 1.908 57.979 56.100 -0.047 0.000 0.968 532 R CB -0.137 30.155 30.300 -0.014 0.000 0.861 532 R HN 0.305 nan 8.270 nan 0.000 0.440 533 D N -0.199 120.130 120.400 -0.118 0.000 2.117 533 D HA -0.116 4.516 4.640 -0.013 0.000 0.198 533 D C 1.955 178.122 176.300 -0.222 0.000 0.982 533 D CA 1.209 55.123 54.000 -0.144 0.000 0.828 533 D CB -0.166 40.561 40.800 -0.121 0.000 0.967 533 D HN 0.078 nan 8.370 nan 0.000 0.464 534 V N 1.499 121.184 119.914 -0.382 0.000 2.287 534 V HA -0.263 3.850 4.120 -0.013 0.000 0.248 534 V C 2.531 178.530 176.094 -0.160 0.000 1.053 534 V CA 1.977 64.070 62.300 -0.344 0.000 1.027 534 V CB -0.847 30.699 31.823 -0.461 0.000 0.646 534 V HN 0.192 nan 8.190 nan 0.000 0.447 535 A N -0.479 122.269 122.820 -0.119 0.000 1.933 535 A HA -0.253 4.059 4.320 -0.013 0.000 0.218 535 A C 2.355 179.902 177.584 -0.062 0.000 1.175 535 A CA 2.100 54.100 52.037 -0.062 0.000 0.628 535 A CB -0.483 18.487 19.000 -0.051 0.000 0.814 535 A HN 0.540 nan 8.150 nan 0.000 0.444 536 K N -0.218 120.141 120.400 -0.069 0.000 2.057 536 K HA -0.087 4.226 4.320 -0.013 0.000 0.207 536 K C 1.796 178.368 176.600 -0.047 0.000 1.049 536 K CA 1.584 57.839 56.287 -0.054 0.000 0.931 536 K CB -0.246 32.224 32.500 -0.049 0.000 0.714 536 K HN 0.229 nan 8.250 nan 0.000 0.440 537 V N 1.660 121.540 119.914 -0.057 0.000 2.343 537 V HA -0.226 3.887 4.120 -0.013 0.000 0.247 537 V C 2.371 178.448 176.094 -0.028 0.000 1.051 537 V CA 1.905 64.180 62.300 -0.041 0.000 1.036 537 V CB -0.444 31.349 31.823 -0.051 0.000 0.654 537 V HN 0.342 nan 8.190 nan 0.000 0.451 538 K N 0.470 120.851 120.400 -0.031 0.000 2.032 538 K HA -0.234 4.079 4.320 -0.013 0.000 0.209 538 K C 2.176 178.748 176.600 -0.046 0.000 1.048 538 K CA 1.821 58.096 56.287 -0.020 0.000 0.927 538 K CB -0.545 31.959 32.500 0.007 0.000 0.712 538 K HN 0.370 nan 8.250 nan 0.000 0.441 539 Q N 1.049 120.815 119.800 -0.056 0.000 2.096 539 Q HA -0.131 4.202 4.340 -0.013 0.000 0.204 539 Q C 1.717 177.694 176.000 -0.038 0.000 0.982 539 Q CA 2.066 57.828 55.803 -0.069 0.000 0.850 539 Q CB -0.143 28.558 28.738 -0.061 0.000 0.901 539 Q HN 0.514 nan 8.270 nan 0.000 0.422 540 E N -0.481 119.708 120.200 -0.018 0.000 2.077 540 E HA -0.177 4.165 4.350 -0.013 0.000 0.193 540 E C 1.783 178.400 176.600 0.029 0.000 0.989 540 E CA 1.019 57.422 56.400 0.005 0.000 0.800 540 E CB -0.112 29.590 29.700 0.003 0.000 0.746 540 E HN 0.400 nan 8.360 nan 0.000 0.452 541 N N 1.010 119.724 118.700 0.024 0.000 2.120 541 N HA -0.142 4.590 4.740 -0.013 0.000 0.188 541 N C 1.538 177.116 175.510 0.114 0.000 1.024 541 N CA 1.123 54.206 53.050 0.055 0.000 0.852 541 N CB -0.105 38.400 38.487 0.031 0.000 1.003 541 N HN 0.140 nan 8.380 nan 0.000 0.424 542 K N 0.526 120.957 120.400 0.051 0.000 2.097 542 K HA 0.023 4.335 4.320 -0.013 0.000 0.205 542 K C 2.127 178.847 176.600 0.199 0.000 1.050 542 K CA 0.613 56.945 56.287 0.076 0.000 0.938 542 K CB -0.143 32.131 32.500 -0.378 0.000 0.718 542 K HN 0.101 nan 8.250 nan 0.000 0.442 543 L N 1.232 122.516 121.223 0.102 0.000 2.017 543 L HA -0.203 4.129 4.340 -0.013 0.000 0.208 543 L C 2.617 179.572 176.870 0.141 0.000 1.073 543 L CA 1.338 56.242 54.840 0.108 0.000 0.745 543 L CB -0.358 41.734 42.059 0.056 0.000 0.894 543 L HN 0.161 nan 8.230 nan 0.000 0.432 544 K N -0.219 120.268 120.400 0.145 0.000 2.032 544 K HA -0.258 4.055 4.320 -0.013 0.000 0.209 544 K C 2.184 178.924 176.600 0.234 0.000 1.048 544 K CA 1.860 58.241 56.287 0.157 0.000 0.927 544 K CB -0.208 32.372 32.500 0.133 0.000 0.712 544 K HN 0.096 nan 8.250 nan 0.000 0.441 545 F N 0.935 120.975 119.950 0.151 0.000 2.206 545 F HA -0.006 4.513 4.527 -0.013 0.000 0.298 545 F C 1.996 177.938 175.800 0.238 0.000 1.090 545 F CA 1.116 59.233 58.000 0.194 0.000 1.323 545 F CB -0.338 38.779 39.000 0.196 0.000 1.028 545 F HN 0.089 nan 8.300 nan 0.000 0.492 546 A N 0.193 123.172 122.820 0.266 0.000 1.940 546 A HA -0.084 4.228 4.320 -0.013 0.000 0.219 546 A C 2.375 179.960 177.584 0.002 0.000 1.176 546 A CA 1.770 53.887 52.037 0.135 0.000 0.631 546 A CB -1.420 17.722 19.000 0.237 0.000 0.814 546 A HN 0.448 nan 8.150 nan 0.000 0.446 547 A N -1.614 121.227 122.820 0.036 0.000 1.897 547 A HA -0.025 4.287 4.320 -0.013 0.000 0.215 547 A C 2.107 179.676 177.584 -0.025 0.000 1.181 547 A CA 1.422 53.458 52.037 -0.003 0.000 0.620 547 A CB -0.813 18.207 19.000 0.035 0.000 0.821 547 A HN 0.724 nan 8.150 nan 0.000 0.443 548 Y N 0.718 120.942 120.300 -0.126 0.000 2.165 548 Y HA -0.217 4.326 4.550 -0.013 0.000 0.286 548 Y C 1.916 177.713 175.900 -0.171 0.000 1.155 548 Y CA 1.922 59.935 58.100 -0.145 0.000 1.164 548 Y CB -0.262 38.105 38.460 -0.155 0.000 0.978 548 Y HN 0.218 nan 8.280 nan 0.000 0.513 549 L N -0.034 121.051 121.223 -0.230 0.000 2.079 549 L HA -0.233 4.100 4.340 -0.013 0.000 0.210 549 L C 2.337 179.115 176.870 -0.153 0.000 1.081 549 L CA 1.881 56.594 54.840 -0.211 0.000 0.752 549 L CB -0.482 41.430 42.059 -0.245 0.000 0.896 549 L HN 0.335 nan 8.230 nan 0.000 0.433 550 E N -0.556 119.534 120.200 -0.183 0.000 2.076 550 E HA -0.136 4.206 4.350 -0.013 0.000 0.190 550 E C 2.348 178.849 176.600 -0.165 0.000 0.979 550 E CA 0.564 56.849 56.400 -0.191 0.000 0.807 550 E CB 0.119 29.635 29.700 -0.306 0.000 0.761 550 E HN 0.369 nan 8.360 nan 0.000 0.454 551 R N 0.623 121.005 120.500 -0.197 0.000 2.061 551 R HA -0.113 4.219 4.340 -0.013 0.000 0.230 551 R C 1.785 177.918 176.300 -0.278 0.000 1.140 551 R CA 1.241 57.224 56.100 -0.195 0.000 0.940 551 R CB -0.036 30.165 30.300 -0.165 0.000 0.839 551 R HN -0.036 nan 8.270 nan 0.000 0.429 552 E N -1.451 118.460 120.200 -0.482 0.000 2.474 552 E HA 0.015 4.358 4.350 -0.013 0.000 0.194 552 E C -0.123 175.958 176.600 -0.865 0.000 1.041 552 E CA 0.527 56.510 56.400 -0.695 0.000 0.874 552 E CB 0.572 29.677 29.700 -0.991 0.000 0.914 552 E HN 0.336 nan 8.360 nan 0.000 0.498 553 Y N -0.784 119.374 120.300 -0.238 0.000 2.729 553 Y HA 0.221 4.763 4.550 -0.013 0.000 0.266 553 Y C -0.066 175.794 175.900 -0.068 0.000 1.064 553 Y CA -0.704 57.319 58.100 -0.128 0.000 1.251 553 Y CB 0.796 39.181 38.460 -0.124 0.000 1.379 553 Y HN -0.270 nan 8.280 nan 0.000 0.569 554 K N 0.750 121.169 120.400 0.032 0.000 3.071 554 K HA -0.134 4.178 4.320 -0.013 0.000 0.262 554 K C -0.516 176.177 176.600 0.156 0.000 0.977 554 K CA 0.939 57.270 56.287 0.073 0.000 0.721 554 K CB -2.135 30.410 32.500 0.075 0.000 1.293 554 K HN 0.268 nan 8.250 nan 0.000 0.475 555 V N -2.427 117.555 119.914 0.112 0.000 2.588 555 V HA 0.480 4.592 4.120 -0.013 0.000 0.304 555 V C 0.213 176.366 176.094 0.098 0.000 1.042 555 V CA -0.817 61.570 62.300 0.145 0.000 0.877 555 V CB 2.226 34.087 31.823 0.062 0.000 0.996 555 V HN 0.278 nan 8.190 nan 0.000 0.425 556 H N 5.662 124.724 119.070 -0.013 0.000 2.623 556 H HA 0.592 5.140 4.556 -0.013 0.000 0.299 556 H C -0.342 174.983 175.328 -0.006 0.000 1.052 556 H CA -0.247 55.798 56.048 -0.005 0.000 1.231 556 H CB 1.808 31.572 29.762 0.003 0.000 1.389 556 H HN 0.868 nan 8.280 nan 0.000 0.469 557 I N 0.380 120.988 120.570 0.063 0.000 2.648 557 I HA 0.372 4.534 4.170 -0.013 0.000 0.304 557 I C 0.000 176.184 176.117 0.111 0.000 1.009 557 I CA -1.243 60.095 61.300 0.063 0.000 1.114 557 I CB 1.886 39.890 38.000 0.006 0.000 1.293 557 I HN 0.244 nan 8.210 nan 0.000 0.449 558 N N 4.761 123.538 118.700 0.129 0.000 2.406 558 N HA 0.396 5.128 4.740 -0.013 0.000 0.251 558 N C -2.055 173.594 175.510 0.231 0.000 1.069 558 N CA -2.423 50.712 53.050 0.142 0.000 0.947 558 N CB 1.024 39.570 38.487 0.098 0.000 1.111 558 N HN 0.380 nan 8.380 nan 0.000 0.497 559 P HA 0.061 nan 4.420 nan 0.000 0.237 559 P C -0.167 177.123 177.300 -0.015 0.000 1.178 559 P CA 0.869 64.055 63.100 0.144 0.000 0.766 559 P CB 0.149 31.906 31.700 0.094 0.000 0.876 560 N N -0.994 117.730 118.700 0.039 0.000 2.412 560 N HA -0.007 4.725 4.740 -0.013 0.000 0.184 560 N C 0.437 175.981 175.510 0.056 0.000 1.101 560 N CA -0.066 52.996 53.050 0.021 0.000 0.881 560 N CB -0.018 38.492 38.487 0.038 0.000 0.969 560 N HN 0.152 nan 8.380 nan 0.000 0.459 561 S N 0.328 116.078 115.700 0.084 0.000 2.614 561 S HA 0.179 4.642 4.470 -0.013 0.000 0.265 561 S C 0.063 174.643 174.600 -0.034 0.000 1.303 561 S CA -0.918 57.319 58.200 0.062 0.000 1.000 561 S CB 1.100 64.366 63.200 0.110 0.000 0.935 561 S HN 0.183 nan 8.310 nan 0.000 0.551 562 L N 2.183 123.221 121.223 -0.309 0.000 2.418 562 L HA 0.342 4.675 4.340 -0.013 0.000 0.274 562 L C -0.876 175.972 176.870 -0.036 0.000 1.135 562 L CA -0.474 53.997 54.840 -0.615 0.000 0.870 562 L CB -0.249 41.168 42.059 -1.071 0.000 1.154 562 L HN 0.702 nan 8.230 nan 0.000 0.462 563 F N 4.346 124.168 119.950 -0.212 0.000 2.405 563 F HA 0.103 4.623 4.527 -0.012 0.000 0.358 563 F C 0.423 176.162 175.800 -0.101 0.000 1.151 563 F CA -0.809 57.133 58.000 -0.096 0.000 1.161 563 F CB 0.563 39.552 39.000 -0.018 0.000 1.245 563 F HN 0.523 nan 8.300 nan 0.000 0.545 564 D N 4.915 125.321 120.400 0.010 0.000 2.412 564 D HA 0.251 4.883 4.640 -0.013 0.000 0.224 564 D C -1.129 175.120 176.300 -0.086 0.000 1.093 564 D CA -0.133 53.831 54.000 -0.061 0.000 0.850 564 D CB 1.531 42.279 40.800 -0.088 0.000 1.046 564 D HN 0.273 nan 8.370 nan 0.000 0.507 565 V N 3.169 123.016 119.914 -0.112 0.000 2.588 565 V HA 0.559 4.671 4.120 -0.013 0.000 0.304 565 V C -1.435 174.520 176.094 -0.232 0.000 1.042 565 V CA -0.634 61.583 62.300 -0.138 0.000 0.877 565 V CB 1.814 33.614 31.823 -0.038 0.000 0.996 565 V HN 0.552 nan 8.190 nan 0.000 0.425 566 Q N 4.711 124.389 119.800 -0.203 0.000 2.394 566 Q HA 0.661 4.993 4.340 -0.013 0.000 0.261 566 Q C -1.460 174.382 176.000 -0.265 0.000 1.023 566 Q CA -0.630 55.039 55.803 -0.224 0.000 0.720 566 Q CB 1.872 30.506 28.738 -0.173 0.000 1.241 566 Q HN 1.104 nan 8.270 nan 0.000 0.483 567 V N 1.569 121.311 119.914 -0.287 0.000 2.483 567 V HA 0.871 4.983 4.120 -0.013 0.000 0.297 567 V C -0.978 174.847 176.094 -0.448 0.000 1.027 567 V CA -0.570 61.381 62.300 -0.583 0.000 0.855 567 V CB 1.201 32.456 31.823 -0.947 0.000 0.995 567 V HN 0.819 nan 8.190 nan 0.000 0.424 568 K N 2.574 122.749 120.400 -0.375 0.000 2.960 568 K HA 0.428 4.740 4.320 -0.013 0.000 0.296 568 K C -1.231 175.359 176.600 -0.018 0.000 1.092 568 K CA -1.186 55.053 56.287 -0.079 0.000 0.847 568 K CB 0.896 33.346 32.500 -0.083 0.000 1.458 568 K HN 0.458 nan 8.250 nan 0.000 0.359 569 R N 0.969 121.510 120.500 0.069 0.000 2.698 569 R HA 0.145 4.477 4.340 -0.013 0.000 0.266 569 R C 0.316 176.637 176.300 0.035 0.000 1.026 569 R CA -0.290 55.865 56.100 0.091 0.000 1.102 569 R CB -0.100 30.275 30.300 0.125 0.000 0.978 569 R HN 0.474 nan 8.270 nan 0.000 0.436 570 I N 4.094 124.705 120.570 0.069 0.000 2.379 570 I HA 0.117 4.279 4.170 -0.013 0.000 0.290 570 I C 0.756 176.901 176.117 0.046 0.000 1.063 570 I CA 0.439 61.745 61.300 0.010 0.000 1.351 570 I CB -0.258 37.740 38.000 -0.003 0.000 1.410 570 I HN 0.362 nan 8.210 nan 0.000 0.505 571 H N 5.231 124.224 119.070 -0.129 0.000 2.996 571 H HA 0.231 4.780 4.556 -0.013 0.000 0.368 571 H C 0.456 175.678 175.328 -0.176 0.000 1.185 571 H CA -0.375 55.644 56.048 -0.048 0.000 1.160 571 H CB 1.944 31.656 29.762 -0.084 0.000 1.820 571 H HN 0.586 nan 8.280 nan 0.000 0.547 572 E N 1.838 121.954 120.200 -0.139 0.000 2.130 572 E HA -0.274 4.069 4.350 -0.013 0.000 0.196 572 E C 1.366 177.825 176.600 -0.235 0.000 0.998 572 E CA 2.098 58.476 56.400 -0.037 0.000 0.806 572 E CB -0.123 29.684 29.700 0.178 0.000 0.738 572 E HN 0.581 nan 8.360 nan 0.000 0.459 573 Y N 0.630 120.650 120.300 -0.468 0.000 2.352 573 Y HA -0.005 4.537 4.550 -0.013 0.000 0.292 573 Y C 1.509 177.188 175.900 -0.367 0.000 1.136 573 Y CA 0.830 58.346 58.100 -0.974 0.000 1.227 573 Y CB -0.125 37.678 38.460 -1.095 0.000 0.991 573 Y HN -0.210 nan 8.280 nan 0.000 0.545 574 K N 0.694 120.707 120.400 -0.644 0.000 2.432 574 K HA 0.082 4.394 4.320 -0.013 0.000 0.196 574 K C 0.215 176.678 176.600 -0.228 0.000 1.038 574 K CA 0.510 56.525 56.287 -0.454 0.000 0.986 574 K CB -0.029 32.174 32.500 -0.496 0.000 0.782 574 K HN 0.214 nan 8.250 nan 0.000 0.485 575 R N 0.169 120.560 120.500 -0.182 0.000 3.422 575 R HA -0.249 4.083 4.340 -0.013 0.000 0.267 575 R C 0.282 176.516 176.300 -0.111 0.000 1.074 575 R CA 0.288 56.323 56.100 -0.109 0.000 0.718 575 R CB -1.995 28.256 30.300 -0.080 0.000 1.157 575 R HN 0.290 nan 8.270 nan 0.000 0.440 576 Q N 0.349 120.079 119.800 -0.116 0.000 2.268 576 Q HA -0.124 4.208 4.340 -0.013 0.000 0.210 576 Q C 2.015 177.972 176.000 -0.072 0.000 0.988 576 Q CA 1.727 57.474 55.803 -0.093 0.000 0.883 576 Q CB -0.061 28.625 28.738 -0.088 0.000 0.911 576 Q HN 0.593 nan 8.270 nan 0.000 0.430 577 L N -0.726 120.457 121.223 -0.067 0.000 2.083 577 L HA -0.178 4.154 4.340 -0.013 0.000 0.209 577 L C 2.037 178.911 176.870 0.006 0.000 1.083 577 L CA 0.520 55.333 54.840 -0.044 0.000 0.752 577 L CB -0.368 41.674 42.059 -0.027 0.000 0.899 577 L HN 0.302 nan 8.230 nan 0.000 0.433 578 L N 0.127 121.349 121.223 -0.002 0.000 2.046 578 L HA -0.250 4.082 4.340 -0.013 0.000 0.208 578 L C 2.048 178.975 176.870 0.095 0.000 1.077 578 L CA 1.941 56.791 54.840 0.018 0.000 0.747 578 L CB -0.848 41.118 42.059 -0.154 0.000 0.896 578 L HN 0.287 nan 8.230 nan 0.000 0.432 579 N N -1.582 117.140 118.700 0.036 0.000 2.061 579 N HA -0.260 4.472 4.740 -0.013 0.000 0.193 579 N C 1.955 177.547 175.510 0.136 0.000 1.030 579 N CA 1.863 55.010 53.050 0.161 0.000 0.856 579 N CB -0.176 38.339 38.487 0.048 0.000 1.023 579 N HN 0.509 nan 8.380 nan 0.000 0.424 580 C N 0.500 119.817 119.300 0.028 0.000 2.403 580 C HA -0.097 4.355 4.460 -0.013 0.000 0.277 580 C C 2.585 177.567 174.990 -0.014 0.000 1.248 580 C CA 0.427 59.416 59.018 -0.049 0.000 1.762 580 C CB -1.286 26.372 27.740 -0.136 0.000 2.014 580 C HN 0.503 nan 8.230 nan 0.000 0.486 581 L N -0.549 120.727 121.223 0.088 0.000 2.093 581 L HA -0.176 4.156 4.340 -0.013 0.000 0.208 581 L C 2.765 179.789 176.870 0.257 0.000 1.085 581 L CA 1.686 56.623 54.840 0.161 0.000 0.755 581 L CB -1.017 41.196 42.059 0.258 0.000 0.904 581 L HN 0.577 nan 8.230 nan 0.000 0.435 582 H N 0.004 119.186 119.070 0.187 0.000 2.321 582 H HA -0.144 4.404 4.556 -0.013 0.000 0.300 582 H C 2.247 177.571 175.328 -0.006 0.000 1.087 582 H CA 1.967 58.044 56.048 0.049 0.000 1.319 582 H CB 0.311 30.035 29.762 -0.065 0.000 1.379 582 H HN 0.085 nan 8.280 nan 0.000 0.501 583 V N 1.622 121.459 119.914 -0.128 0.000 2.282 583 V HA -0.292 3.820 4.120 -0.013 0.000 0.249 583 V C 2.833 178.858 176.094 -0.115 0.000 1.057 583 V CA 2.016 64.205 62.300 -0.185 0.000 1.032 583 V CB -0.535 31.227 31.823 -0.103 0.000 0.645 583 V HN 0.400 nan 8.190 nan 0.000 0.447 584 I N -0.224 120.314 120.570 -0.053 0.000 2.315 584 I HA -0.212 3.951 4.170 -0.013 0.000 0.248 584 I C 2.496 178.660 176.117 0.078 0.000 1.117 584 I CA 1.675 63.006 61.300 0.052 0.000 1.404 584 I CB -0.721 37.285 38.000 0.009 0.000 1.071 584 I HN 0.326 nan 8.210 nan 0.000 0.419 585 T N 1.264 115.826 114.554 0.012 0.000 2.720 585 T HA -0.155 4.187 4.350 -0.013 0.000 0.268 585 T C 1.869 176.522 174.700 -0.078 0.000 1.037 585 T CA 1.253 63.353 62.100 -0.000 0.000 1.144 585 T CB -0.229 68.670 68.868 0.051 0.000 0.864 585 T HN 0.082 nan 8.240 nan 0.000 0.444 586 L N 0.006 121.118 121.223 -0.185 0.000 2.056 586 L HA 0.027 4.359 4.340 -0.013 0.000 0.207 586 L C 2.093 178.923 176.870 -0.066 0.000 1.078 586 L CA 1.498 56.225 54.840 -0.187 0.000 0.749 586 L CB -1.095 40.779 42.059 -0.308 0.000 0.901 586 L HN 0.355 nan 8.230 nan 0.000 0.433 587 Y N 0.327 120.561 120.300 -0.110 0.000 2.145 587 Y HA -0.291 4.251 4.550 -0.013 0.000 0.286 587 Y C 2.429 178.304 175.900 -0.042 0.000 1.145 587 Y CA 1.863 59.935 58.100 -0.047 0.000 1.148 587 Y CB -0.101 38.372 38.460 0.022 0.000 0.981 587 Y HN 0.272 nan 8.280 nan 0.000 0.507 588 N N 0.448 119.097 118.700 -0.084 0.000 2.166 588 N HA -0.143 4.589 4.740 -0.013 0.000 0.186 588 N C 1.855 177.255 175.510 -0.182 0.000 1.019 588 N CA 1.533 54.477 53.050 -0.177 0.000 0.856 588 N CB -0.387 38.058 38.487 -0.070 0.000 0.993 588 N HN 0.423 nan 8.380 nan 0.000 0.426 589 R N 0.401 120.821 120.500 -0.133 0.000 2.081 589 R HA 0.039 4.372 4.340 -0.013 0.000 0.235 589 R C 2.232 178.448 176.300 -0.140 0.000 1.131 589 R CA 0.837 56.866 56.100 -0.118 0.000 0.960 589 R CB -0.282 29.959 30.300 -0.098 0.000 0.856 589 R HN 0.243 nan 8.270 nan 0.000 0.436 590 I N 0.933 121.399 120.570 -0.174 0.000 2.142 590 I HA -0.284 3.879 4.170 -0.013 0.000 0.240 590 I C 2.113 178.113 176.117 -0.196 0.000 1.078 590 I CA 1.246 62.441 61.300 -0.174 0.000 1.343 590 I CB -0.198 37.700 38.000 -0.169 0.000 1.046 590 I HN 0.037 nan 8.210 nan 0.000 0.405 591 K N 0.802 121.020 120.400 -0.302 0.000 2.209 591 K HA -0.203 4.110 4.320 -0.013 0.000 0.204 591 K C 2.006 178.508 176.600 -0.164 0.000 1.048 591 K CA 1.172 57.297 56.287 -0.270 0.000 0.940 591 K CB -0.288 31.971 32.500 -0.403 0.000 0.729 591 K HN 0.332 nan 8.250 nan 0.000 0.451 592 K N 1.028 121.339 120.400 -0.148 0.000 2.062 592 K HA -0.074 4.238 4.320 -0.013 0.000 0.205 592 K C 0.043 176.597 176.600 -0.076 0.000 1.051 592 K CA 1.018 57.245 56.287 -0.100 0.000 0.941 592 K CB 0.362 32.807 32.500 -0.093 0.000 0.719 592 K HN 0.081 nan 8.250 nan 0.000 0.440 593 E N 0.021 120.174 120.200 -0.078 0.000 3.108 593 E HA 0.114 4.456 4.350 -0.013 0.000 0.228 593 E C -2.333 174.234 176.600 -0.057 0.000 1.176 593 E CA -1.532 54.835 56.400 -0.055 0.000 0.881 593 E CB 1.712 31.386 29.700 -0.044 0.000 1.354 593 E HN 0.114 nan 8.360 nan 0.000 0.400 594 P HA -0.105 nan 4.420 nan 0.000 0.221 594 P C 0.271 177.552 177.300 -0.031 0.000 1.150 594 P CA 1.093 64.161 63.100 -0.054 0.000 0.800 594 P CB 0.201 31.872 31.700 -0.047 0.000 0.787 595 N N -1.190 117.501 118.700 -0.015 0.000 2.268 595 N HA 0.024 4.756 4.740 -0.013 0.000 0.204 595 N C 0.543 176.068 175.510 0.026 0.000 1.124 595 N CA -0.109 52.945 53.050 0.006 0.000 0.838 595 N CB 0.106 38.597 38.487 0.007 0.000 0.994 595 N HN -0.038 nan 8.380 nan 0.000 0.489 596 K N 1.017 121.426 120.400 0.015 0.000 2.144 596 K HA 0.156 4.468 4.320 -0.013 0.000 0.270 596 K C -0.816 175.826 176.600 0.069 0.000 1.005 596 K CA -0.510 55.801 56.287 0.041 0.000 0.932 596 K CB 0.631 33.135 32.500 0.007 0.000 1.021 596 K HN -0.034 nan 8.250 nan 0.000 0.462 597 F N 4.027 123.964 119.950 -0.021 0.000 2.456 597 F HA 0.210 4.729 4.527 -0.013 0.000 0.358 597 F C -0.244 175.542 175.800 -0.022 0.000 1.095 597 F CA -0.229 57.760 58.000 -0.019 0.000 1.216 597 F CB 0.615 39.607 39.000 -0.014 0.000 1.125 597 F HN 0.165 nan 8.300 nan 0.000 0.549 598 V N 4.142 123.539 119.914 -0.863 0.000 2.876 598 V HA 0.556 4.668 4.120 -0.013 0.000 0.312 598 V C -0.743 174.758 176.094 -0.987 0.000 1.085 598 V CA -1.213 60.684 62.300 -0.672 0.000 0.945 598 V CB 1.048 32.666 31.823 -0.341 0.000 1.017 598 V HN 0.557 nan 8.190 nan 0.000 0.428 599 V N 4.724 124.337 119.914 -0.501 0.000 2.493 599 V HA 0.200 4.312 4.120 -0.013 0.000 0.292 599 V C -1.819 174.116 176.094 -0.265 0.000 1.016 599 V CA -0.411 61.720 62.300 -0.281 0.000 1.097 599 V CB 0.390 32.169 31.823 -0.073 0.000 0.947 599 V HN 0.914 nan 8.190 nan 0.000 0.479 600 P HA 0.373 nan 4.420 nan 0.000 0.271 600 P C -0.458 176.758 177.300 -0.139 0.000 1.216 600 P CA -0.185 62.826 63.100 -0.150 0.000 0.776 600 P CB 0.607 32.264 31.700 -0.072 0.000 0.881 601 R N 0.923 121.353 120.500 -0.117 0.000 2.744 601 R HA 0.571 4.904 4.340 -0.013 0.000 0.279 601 R C -0.744 175.521 176.300 -0.059 0.000 0.977 601 R CA -0.645 55.389 56.100 -0.110 0.000 0.906 601 R CB 1.963 32.183 30.300 -0.133 0.000 1.197 601 R HN 0.310 nan 8.270 nan 0.000 0.463 602 T N 1.995 116.530 114.554 -0.031 0.000 2.788 602 T HA 0.248 4.590 4.350 -0.013 0.000 0.296 602 T C -0.298 174.322 174.700 -0.133 0.000 1.009 602 T CA -0.493 61.547 62.100 -0.100 0.000 0.949 602 T CB 1.173 69.914 68.868 -0.211 0.000 0.946 602 T HN 0.134 nan 8.240 nan 0.000 0.453 603 V N 5.981 125.825 119.914 -0.117 0.000 2.364 603 V HA 0.420 4.532 4.120 -0.013 0.000 0.272 603 V C 0.052 176.074 176.094 -0.121 0.000 1.036 603 V CA -0.436 61.801 62.300 -0.106 0.000 0.880 603 V CB 0.616 32.392 31.823 -0.079 0.000 0.991 603 V HN 0.856 nan 8.190 nan 0.000 0.460 604 M N 6.719 126.237 119.600 -0.137 0.000 2.243 604 M HA 0.629 5.101 4.480 -0.013 0.000 0.324 604 M C -0.990 175.207 176.300 -0.171 0.000 1.031 604 M CA -0.212 54.998 55.300 -0.150 0.000 0.949 604 M CB 2.077 34.586 32.600 -0.152 0.000 1.615 604 M HN 0.398 nan 8.290 nan 0.000 0.430 605 I N 1.700 122.145 120.570 -0.207 0.000 2.498 605 I HA 0.855 5.017 4.170 -0.013 0.000 0.290 605 I C 0.055 175.846 176.117 -0.543 0.000 1.032 605 I CA -0.667 60.480 61.300 -0.256 0.000 1.073 605 I CB 2.362 40.298 38.000 -0.106 0.000 1.251 605 I HN 0.824 nan 8.210 nan 0.000 0.426 606 G N 2.822 111.274 108.800 -0.579 0.000 2.690 606 G HA2 0.826 4.779 3.960 -0.013 0.000 0.293 606 G HA3 0.826 4.779 3.960 -0.013 0.000 0.293 606 G C -1.023 173.588 174.900 -0.481 0.000 1.399 606 G CA -0.713 43.908 45.100 -0.799 0.000 0.890 606 G HN 1.009 nan 8.290 nan 0.000 0.485 607 G N -0.433 108.235 108.800 -0.220 0.000 2.329 607 G HA2 0.394 4.346 3.960 -0.013 0.000 0.308 607 G HA3 0.394 4.346 3.960 -0.013 0.000 0.308 607 G C -1.261 173.777 174.900 0.231 0.000 1.587 607 G CA -1.022 44.114 45.100 0.061 0.000 0.978 607 G HN 0.600 nan 8.290 nan 0.000 0.685 608 K N -0.107 120.430 120.400 0.228 0.000 2.098 608 K HA 0.759 5.072 4.320 -0.013 0.000 0.258 608 K C 0.323 177.082 176.600 0.264 0.000 0.973 608 K CA -0.152 56.295 56.287 0.267 0.000 0.898 608 K CB 1.994 34.563 32.500 0.117 0.000 1.057 608 K HN 0.888 nan 8.250 nan 0.000 0.447 609 A N 1.262 124.271 122.820 0.315 0.000 2.325 609 A HA 0.651 4.964 4.320 -0.013 0.000 0.333 609 A C -0.563 177.235 177.584 0.357 0.000 1.155 609 A CA -0.734 51.450 52.037 0.245 0.000 0.814 609 A CB 1.082 20.141 19.000 0.099 0.000 1.206 609 A HN 0.763 nan 8.150 nan 0.000 0.482 610 A N 3.065 126.089 122.820 0.340 0.000 2.488 610 A HA 0.502 4.814 4.320 -0.013 0.000 0.249 610 A C -1.420 176.289 177.584 0.209 0.000 1.083 610 A CA -0.974 51.261 52.037 0.330 0.000 0.768 610 A CB -0.371 18.821 19.000 0.320 0.000 1.017 610 A HN 0.587 nan 8.150 nan 0.000 0.496 611 P HA -0.170 nan 4.420 nan 0.000 0.217 611 P C 1.325 178.639 177.300 0.023 0.000 1.151 611 P CA 2.073 65.144 63.100 -0.048 0.000 0.849 611 P CB 0.220 31.838 31.700 -0.137 0.000 0.787 612 G N -3.189 105.658 108.800 0.078 0.000 3.088 612 G HA2 -0.070 3.882 3.960 -0.013 0.000 0.217 612 G HA3 -0.070 3.882 3.960 -0.013 0.000 0.217 612 G C -0.244 174.730 174.900 0.124 0.000 1.159 612 G CA -0.119 45.025 45.100 0.074 0.000 0.760 612 G HN 0.315 nan 8.290 nan 0.000 0.550 613 Y N 1.274 121.569 120.300 -0.009 0.000 2.594 613 Y HA 0.275 4.817 4.550 -0.013 0.000 0.342 613 Y C 1.617 177.523 175.900 0.009 0.000 1.010 613 Y CA -1.154 56.924 58.100 -0.036 0.000 1.270 613 Y CB 0.459 38.892 38.460 -0.044 0.000 1.125 613 Y HN 0.318 nan 8.280 nan 0.000 0.513 614 H N 3.987 123.149 119.070 0.153 0.000 2.321 614 H HA -0.236 4.312 4.556 -0.013 0.000 0.300 614 H C 1.921 177.231 175.328 -0.030 0.000 1.087 614 H CA 2.725 58.801 56.048 0.046 0.000 1.319 614 H CB 0.227 30.017 29.762 0.046 0.000 1.379 614 H HN 0.728 nan 8.280 nan 0.000 0.501 615 M N 0.533 120.034 119.600 -0.164 0.000 2.108 615 M HA -0.074 4.399 4.480 -0.013 0.000 0.261 615 M C 2.372 178.369 176.300 -0.504 0.000 1.066 615 M CA 1.899 57.015 55.300 -0.306 0.000 1.107 615 M CB -0.832 31.719 32.600 -0.081 0.000 1.356 615 M HN 0.433 nan 8.290 nan 0.000 0.406 616 A N -0.584 121.693 122.820 -0.905 0.000 1.933 616 A HA -0.175 4.137 4.320 -0.013 0.000 0.218 616 A C 2.189 179.570 177.584 -0.338 0.000 1.175 616 A CA 1.727 53.323 52.037 -0.735 0.000 0.628 616 A CB -0.618 17.793 19.000 -0.981 0.000 0.814 616 A HN 0.574 nan 8.150 nan 0.000 0.444 617 K N -1.126 119.124 120.400 -0.250 0.000 2.148 617 K HA -0.042 4.270 4.320 -0.013 0.000 0.204 617 K C 1.877 178.441 176.600 -0.061 0.000 1.050 617 K CA 1.170 57.409 56.287 -0.080 0.000 0.942 617 K CB -0.215 32.301 32.500 0.027 0.000 0.724 617 K HN 0.342 nan 8.250 nan 0.000 0.446 618 M N 0.558 120.063 119.600 -0.159 0.000 2.175 618 M HA -0.075 4.398 4.480 -0.013 0.000 0.264 618 M C 2.114 178.347 176.300 -0.112 0.000 1.063 618 M CA 1.364 56.611 55.300 -0.088 0.000 1.119 618 M CB -0.643 31.871 32.600 -0.144 0.000 1.377 618 M HN 0.107 nan 8.290 nan 0.000 0.415 619 I N -0.196 120.266 120.570 -0.180 0.000 2.252 619 I HA -0.297 3.865 4.170 -0.013 0.000 0.245 619 I C 2.275 178.267 176.117 -0.208 0.000 1.102 619 I CA 1.025 62.211 61.300 -0.190 0.000 1.385 619 I CB -0.306 37.582 38.000 -0.186 0.000 1.064 619 I HN 0.164 nan 8.210 nan 0.000 0.414 620 I N 0.663 121.097 120.570 -0.227 0.000 2.163 620 I HA -0.326 3.836 4.170 -0.013 0.000 0.243 620 I C 2.611 178.457 176.117 -0.451 0.000 1.085 620 I CA 1.339 62.412 61.300 -0.378 0.000 1.347 620 I CB -0.349 37.403 38.000 -0.413 0.000 1.044 620 I HN 0.162 nan 8.210 nan 0.000 0.408 621 K N 1.533 121.685 120.400 -0.414 0.000 2.063 621 K HA -0.164 4.148 4.320 -0.013 0.000 0.208 621 K C 2.058 178.502 176.600 -0.260 0.000 1.048 621 K CA 1.542 57.516 56.287 -0.522 0.000 0.928 621 K CB -0.615 31.333 32.500 -0.919 0.000 0.713 621 K HN 0.234 nan 8.250 nan 0.000 0.442 622 L N 0.379 121.463 121.223 -0.232 0.000 2.042 622 L HA -0.187 4.145 4.340 -0.013 0.000 0.210 622 L C 2.205 178.842 176.870 -0.388 0.000 1.076 622 L CA 1.740 56.271 54.840 -0.516 0.000 0.749 622 L CB -0.280 41.377 42.059 -0.671 0.000 0.893 622 L HN 0.283 nan 8.230 nan 0.000 0.432 623 I N -0.285 120.113 120.570 -0.286 0.000 2.226 623 I HA -0.325 3.837 4.170 -0.013 0.000 0.245 623 I C 2.636 178.660 176.117 -0.156 0.000 1.100 623 I CA 1.891 63.079 61.300 -0.187 0.000 1.374 623 I CB -0.512 37.461 38.000 -0.044 0.000 1.057 623 I HN 0.432 nan 8.210 nan 0.000 0.413 624 T N -0.938 113.498 114.554 -0.198 0.000 2.821 624 T HA -0.055 4.287 4.350 -0.013 0.000 0.267 624 T C 1.999 176.643 174.700 -0.094 0.000 1.046 624 T CA 0.901 62.913 62.100 -0.146 0.000 1.139 624 T CB -0.458 68.278 68.868 -0.220 0.000 0.871 624 T HN 0.321 nan 8.240 nan 0.000 0.454 625 A N 1.671 124.434 122.820 -0.094 0.000 1.902 625 A HA 0.112 4.424 4.320 -0.013 0.000 0.217 625 A C 2.387 180.007 177.584 0.061 0.000 1.181 625 A CA 1.415 53.468 52.037 0.026 0.000 0.623 625 A CB -0.875 18.233 19.000 0.181 0.000 0.818 625 A HN 0.590 nan 8.150 nan 0.000 0.443 626 I N -0.210 120.292 120.570 -0.113 0.000 2.163 626 I HA -0.238 3.924 4.170 -0.013 0.000 0.243 626 I C 2.754 178.845 176.117 -0.043 0.000 1.085 626 I CA 1.214 62.432 61.300 -0.137 0.000 1.347 626 I CB -0.767 37.019 38.000 -0.357 0.000 1.044 626 I HN 0.395 nan 8.210 nan 0.000 0.408 627 G N 0.561 109.322 108.800 -0.065 0.000 2.476 627 G HA2 -0.306 3.646 3.960 -0.013 0.000 0.218 627 G HA3 -0.306 3.646 3.960 -0.013 0.000 0.218 627 G C 1.289 176.178 174.900 -0.020 0.000 1.164 627 G CA 1.270 46.337 45.100 -0.054 0.000 0.768 627 G HN 0.297 nan 8.290 nan 0.000 0.560 628 D N -0.078 120.354 120.400 0.052 0.000 2.158 628 D HA -0.100 4.533 4.640 -0.013 0.000 0.197 628 D C 2.712 179.132 176.300 0.200 0.000 0.995 628 D CA 0.909 55.008 54.000 0.167 0.000 0.846 628 D CB -0.286 40.575 40.800 0.102 0.000 0.941 628 D HN 0.250 nan 8.370 nan 0.000 0.456 629 V N 0.136 120.100 119.914 0.084 0.000 2.302 629 V HA -0.142 3.971 4.120 -0.013 0.000 0.243 629 V C 2.605 178.660 176.094 -0.066 0.000 1.036 629 V CA 0.787 63.086 62.300 -0.003 0.000 1.020 629 V CB -0.262 31.530 31.823 -0.053 0.000 0.657 629 V HN 0.028 nan 8.190 nan 0.000 0.453 630 V N 0.891 120.712 119.914 -0.155 0.000 2.307 630 V HA -0.200 3.912 4.120 -0.013 0.000 0.245 630 V C 2.147 178.195 176.094 -0.076 0.000 1.045 630 V CA 2.034 64.230 62.300 -0.173 0.000 1.024 630 V CB -0.854 30.863 31.823 -0.176 0.000 0.651 630 V HN 0.562 nan 8.190 nan 0.000 0.449 631 N N -0.337 118.257 118.700 -0.177 0.000 2.512 631 N HA -0.085 4.647 4.740 -0.013 0.000 0.183 631 N C 1.166 176.413 175.510 -0.438 0.000 1.073 631 N CA 0.895 53.754 53.050 -0.319 0.000 0.911 631 N CB -0.279 37.944 38.487 -0.439 0.000 0.964 631 N HN 0.694 nan 8.380 nan 0.000 0.447 632 H N -1.583 117.489 119.070 0.004 0.000 2.674 632 H HA 0.209 4.758 4.556 -0.013 0.000 0.274 632 H C -0.541 174.800 175.328 0.022 0.000 1.121 632 H CA -0.475 55.575 56.048 0.003 0.000 1.132 632 H CB 0.640 30.394 29.762 -0.014 0.000 1.606 632 H HN -0.022 nan 8.280 nan 0.000 0.558 633 D N 2.324 122.797 120.400 0.121 0.000 2.347 633 D HA 0.036 4.669 4.640 -0.013 0.000 0.235 633 D C -1.453 174.904 176.300 0.094 0.000 1.149 633 D CA -2.106 51.978 54.000 0.140 0.000 0.850 633 D CB 1.736 42.696 40.800 0.267 0.000 1.061 633 D HN 0.149 nan 8.370 nan 0.000 0.487 634 P HA -0.107 nan 4.420 nan 0.000 0.220 634 P C 1.491 178.810 177.300 0.032 0.000 1.148 634 P CA 0.347 63.473 63.100 0.043 0.000 0.803 634 P CB 0.531 32.251 31.700 0.034 0.000 0.782 635 V N -0.099 119.835 119.914 0.033 0.000 2.667 635 V HA -0.136 3.976 4.120 -0.013 0.000 0.252 635 V C 2.731 178.826 176.094 0.003 0.000 1.065 635 V CA 1.268 63.574 62.300 0.009 0.000 1.083 635 V CB -0.875 30.942 31.823 -0.009 0.000 0.692 635 V HN -0.040 nan 8.190 nan 0.000 0.468 636 V N -0.091 119.841 119.914 0.031 0.000 2.379 636 V HA 0.138 4.250 4.120 -0.013 0.000 0.245 636 V C 1.781 177.881 176.094 0.010 0.000 1.044 636 V CA 1.534 63.851 62.300 0.028 0.000 1.036 636 V CB -1.130 30.754 31.823 0.102 0.000 0.664 636 V HN 0.724 nan 8.190 nan 0.000 0.453 637 G N 1.578 110.388 108.800 0.017 0.000 2.527 637 G HA2 -0.342 3.610 3.960 -0.013 0.000 0.268 637 G HA3 -0.342 3.610 3.960 -0.013 0.000 0.268 637 G C 0.243 175.146 174.900 0.005 0.000 1.175 637 G CA 0.376 45.482 45.100 0.010 0.000 0.962 637 G HN 0.686 nan 8.290 nan 0.000 0.560 638 D N 0.341 120.744 120.400 0.004 0.000 2.615 638 D HA 0.221 4.853 4.640 -0.013 0.000 0.236 638 D C 1.650 177.944 176.300 -0.011 0.000 1.233 638 D CA -0.139 53.863 54.000 0.004 0.000 0.829 638 D CB -0.086 40.727 40.800 0.022 0.000 1.024 638 D HN 0.592 nan 8.370 nan 0.000 0.490 639 R N -0.682 119.800 120.500 -0.030 0.000 2.200 639 R HA 0.212 4.544 4.340 -0.013 0.000 0.208 639 R C -0.046 176.212 176.300 -0.071 0.000 1.033 639 R CA 0.230 56.288 56.100 -0.070 0.000 1.000 639 R CB 0.363 30.602 30.300 -0.102 0.000 0.906 639 R HN 0.113 nan 8.270 nan 0.000 0.462 640 L N 0.502 121.701 121.223 -0.040 0.000 2.505 640 L HA 0.401 4.733 4.340 -0.013 0.000 0.266 640 L C -1.586 175.262 176.870 -0.037 0.000 0.954 640 L CA -0.526 54.290 54.840 -0.041 0.000 0.852 640 L CB 1.856 43.903 42.059 -0.019 0.000 1.282 640 L HN -0.191 nan 8.230 nan 0.000 0.403 641 R N 3.576 124.043 120.500 -0.055 0.000 2.686 641 R HA 0.802 5.134 4.340 -0.013 0.000 0.283 641 R C -1.692 174.559 176.300 -0.081 0.000 0.978 641 R CA -0.786 55.273 56.100 -0.069 0.000 0.897 641 R CB 2.441 32.703 30.300 -0.064 0.000 1.192 641 R HN 0.411 nan 8.270 nan 0.000 0.457 642 V N 4.770 124.634 119.914 -0.084 0.000 2.407 642 V HA 0.477 4.589 4.120 -0.013 0.000 0.291 642 V C -0.253 175.804 176.094 -0.062 0.000 1.018 642 V CA -0.736 61.517 62.300 -0.078 0.000 0.842 642 V CB 1.934 33.708 31.823 -0.081 0.000 0.996 642 V HN 0.488 nan 8.190 nan 0.000 0.426 643 I N 4.788 125.322 120.570 -0.061 0.000 2.436 643 I HA 0.407 4.570 4.170 -0.013 0.000 0.289 643 I C -0.603 175.505 176.117 -0.015 0.000 1.010 643 I CA -0.583 60.691 61.300 -0.042 0.000 1.098 643 I CB 1.781 39.732 38.000 -0.080 0.000 1.266 643 I HN 0.564 nan 8.210 nan 0.000 0.434 644 F N 6.980 126.872 119.950 -0.096 0.000 2.404 644 F HA 0.418 4.938 4.527 -0.012 0.000 0.358 644 F C -0.196 175.546 175.800 -0.097 0.000 1.120 644 F CA -0.436 57.508 58.000 -0.092 0.000 1.144 644 F CB 0.715 39.663 39.000 -0.087 0.000 1.133 644 F HN 0.262 nan 8.300 nan 0.000 0.495 645 L N 6.342 127.186 121.223 -0.631 0.000 2.295 645 L HA 0.221 4.553 4.340 -0.013 0.000 0.288 645 L C 0.307 176.933 176.870 -0.407 0.000 1.079 645 L CA -0.222 54.374 54.840 -0.406 0.000 0.830 645 L CB 0.581 42.492 42.059 -0.247 0.000 1.200 645 L HN 0.638 nan 8.230 nan 0.000 0.438 646 E N 3.835 123.938 120.200 -0.162 0.000 2.373 646 E HA -0.058 4.284 4.350 -0.013 0.000 0.267 646 E C 0.436 177.102 176.600 0.111 0.000 1.032 646 E CA -0.305 56.142 56.400 0.077 0.000 0.889 646 E CB 0.442 30.177 29.700 0.058 0.000 0.984 646 E HN 0.560 nan 8.360 nan 0.000 0.425 647 N N 2.505 121.331 118.700 0.210 0.000 2.740 647 N HA -0.281 4.451 4.740 -0.013 0.000 0.248 647 N C -1.534 174.079 175.510 0.172 0.000 1.062 647 N CA 0.554 53.724 53.050 0.201 0.000 0.704 647 N CB -1.672 36.947 38.487 0.220 0.000 0.968 647 N HN 0.501 nan 8.380 nan 0.000 0.547 648 Y N 1.519 121.838 120.300 0.032 0.000 2.717 648 Y HA 0.174 4.716 4.550 -0.013 0.000 0.330 648 Y C 1.156 177.081 175.900 0.041 0.000 1.217 648 Y CA 0.865 58.971 58.100 0.009 0.000 1.506 648 Y CB 0.327 38.760 38.460 -0.045 0.000 1.268 648 Y HN 0.392 nan 8.280 nan 0.000 0.561 649 R N 2.255 122.390 120.500 -0.609 0.000 2.764 649 R HA 0.394 4.726 4.340 -0.013 0.000 0.276 649 R C -0.645 175.329 176.300 -0.543 0.000 1.021 649 R CA -0.551 55.298 56.100 -0.419 0.000 0.870 649 R CB 0.218 30.455 30.300 -0.104 0.000 1.293 649 R HN 0.353 nan 8.270 nan 0.000 0.469 650 V N 1.078 120.716 119.914 -0.460 0.000 2.287 650 V HA -0.290 3.822 4.120 -0.013 0.000 0.248 650 V C 2.574 178.541 176.094 -0.211 0.000 1.053 650 V CA 2.826 64.908 62.300 -0.363 0.000 1.027 650 V CB -0.828 30.751 31.823 -0.406 0.000 0.646 650 V HN 0.912 nan 8.190 nan 0.000 0.447 651 S N 0.040 115.638 115.700 -0.171 0.000 2.399 651 S HA -0.174 4.288 4.470 -0.013 0.000 0.231 651 S C 1.930 176.480 174.600 -0.083 0.000 1.022 651 S CA 1.624 59.753 58.200 -0.118 0.000 0.983 651 S CB -0.530 62.627 63.200 -0.071 0.000 0.803 651 S HN 0.390 nan 8.310 nan 0.000 0.480 652 L N 2.038 123.219 121.223 -0.070 0.000 2.109 652 L HA 0.283 4.615 4.340 -0.013 0.000 0.207 652 L C 2.716 179.600 176.870 0.025 0.000 1.086 652 L CA 1.445 56.291 54.840 0.012 0.000 0.760 652 L CB -1.313 40.806 42.059 0.099 0.000 0.910 652 L HN 0.351 nan 8.230 nan 0.000 0.437 653 A N -0.596 122.202 122.820 -0.037 0.000 1.908 653 A HA -0.261 4.051 4.320 -0.013 0.000 0.218 653 A C 2.120 179.761 177.584 0.096 0.000 1.181 653 A CA 1.962 54.053 52.037 0.090 0.000 0.627 653 A CB -0.676 18.366 19.000 0.070 0.000 0.818 653 A HN 0.613 nan 8.150 nan 0.000 0.445 654 E N -0.430 119.808 120.200 0.063 0.000 2.265 654 E HA -0.171 4.172 4.350 -0.013 0.000 0.196 654 E C 1.898 178.469 176.600 -0.049 0.000 0.996 654 E CA 1.202 57.598 56.400 -0.006 0.000 0.832 654 E CB -0.066 29.540 29.700 -0.158 0.000 0.756 654 E HN 0.637 nan 8.360 nan 0.000 0.491 655 K N 0.125 120.484 120.400 -0.068 0.000 2.121 655 K HA 0.019 4.331 4.320 -0.013 0.000 0.203 655 K C 2.194 178.648 176.600 -0.243 0.000 1.041 655 K CA 0.512 56.751 56.287 -0.081 0.000 0.969 655 K CB -0.091 32.371 32.500 -0.063 0.000 0.799 655 K HN -0.045 nan 8.250 nan 0.000 0.456 656 V N 1.975 121.660 119.914 -0.382 0.000 2.488 656 V HA -0.134 3.978 4.120 -0.013 0.000 0.246 656 V C 1.914 177.772 176.094 -0.393 0.000 1.046 656 V CA 1.222 63.068 62.300 -0.756 0.000 1.053 656 V CB -0.186 31.298 31.823 -0.566 0.000 0.679 656 V HN 0.249 nan 8.190 nan 0.000 0.458 657 I N 0.747 121.139 120.570 -0.297 0.000 2.179 657 I HA -0.133 4.030 4.170 -0.013 0.000 0.242 657 I C -0.208 175.784 176.117 -0.210 0.000 1.088 657 I CA 1.684 62.731 61.300 -0.422 0.000 1.357 657 I CB -1.572 36.046 38.000 -0.636 0.000 1.051 657 I HN 0.365 nan 8.210 nan 0.000 0.409 658 P HA -0.122 nan 4.420 nan 0.000 0.225 658 P C 1.048 178.341 177.300 -0.011 0.000 1.148 658 P CA 1.273 64.347 63.100 -0.044 0.000 0.779 658 P CB 0.002 31.686 31.700 -0.026 0.000 0.780 659 A N -0.922 121.876 122.820 -0.037 0.000 2.178 659 A HA 0.401 4.714 4.320 -0.013 0.000 0.211 659 A C 1.267 178.947 177.584 0.159 0.000 1.157 659 A CA 0.266 52.334 52.037 0.052 0.000 0.780 659 A CB -0.799 18.222 19.000 0.034 0.000 0.828 659 A HN 0.215 nan 8.150 nan 0.000 0.476 660 A N 0.035 122.950 122.820 0.157 0.000 2.388 660 A HA 0.434 4.746 4.320 -0.013 0.000 0.257 660 A C 0.400 178.132 177.584 0.247 0.000 1.095 660 A CA -0.046 52.152 52.037 0.268 0.000 0.791 660 A CB 0.293 19.554 19.000 0.435 0.000 1.029 660 A HN 0.296 nan 8.150 nan 0.000 0.489 661 D N 0.453 121.000 120.400 0.246 0.000 2.338 661 D HA 0.121 4.754 4.640 -0.013 0.000 0.224 661 D C 0.059 176.570 176.300 0.353 0.000 0.967 661 D CA 0.756 54.950 54.000 0.322 0.000 0.896 661 D CB 0.267 41.175 40.800 0.180 0.000 1.028 661 D HN 0.367 nan 8.370 nan 0.000 0.493 662 L N 1.103 122.424 121.223 0.164 0.000 2.376 662 L HA 0.289 4.621 4.340 -0.013 0.000 0.275 662 L C -0.834 175.934 176.870 -0.170 0.000 0.987 662 L CA -0.299 54.564 54.840 0.037 0.000 0.828 662 L CB 2.086 44.141 42.059 -0.007 0.000 1.249 662 L HN -0.182 nan 8.230 nan 0.000 0.409 663 S N 4.347 119.857 115.700 -0.317 0.000 2.422 663 S HA 0.322 4.784 4.470 -0.013 0.000 0.308 663 S C -0.376 173.965 174.600 -0.431 0.000 1.097 663 S CA -0.668 57.100 58.200 -0.719 0.000 1.099 663 S CB 0.594 63.293 63.200 -0.835 0.000 0.976 663 S HN 0.550 nan 8.310 nan 0.000 0.471 664 E N 4.116 124.076 120.200 -0.398 0.000 2.089 664 E HA 0.206 4.549 4.350 -0.013 0.000 0.284 664 E C -0.531 175.967 176.600 -0.170 0.000 1.023 664 E CA -0.405 55.882 56.400 -0.188 0.000 0.819 664 E CB 0.975 30.596 29.700 -0.132 0.000 1.076 664 E HN 0.603 nan 8.360 nan 0.000 0.396 665 Q N 2.842 122.599 119.800 -0.073 0.000 3.122 665 Q HA 0.269 4.601 4.340 -0.013 0.000 0.282 665 Q C 0.563 176.556 176.000 -0.011 0.000 0.947 665 Q CA -0.112 55.658 55.803 -0.055 0.000 0.812 665 Q CB 0.248 28.960 28.738 -0.042 0.000 1.333 665 Q HN 0.619 nan 8.270 nan 0.000 0.430 666 I N -1.778 118.774 120.570 -0.029 0.000 3.569 666 I HA 0.277 4.439 4.170 -0.013 0.000 0.334 666 I C 0.411 176.489 176.117 -0.065 0.000 1.570 666 I CA -0.691 60.601 61.300 -0.013 0.000 1.082 666 I CB 0.507 38.507 38.000 0.001 0.000 1.323 666 I HN -0.000 nan 8.210 nan 0.000 0.489 667 S N 0.460 116.126 115.700 -0.056 0.000 2.573 667 S HA 0.174 4.636 4.470 -0.013 0.000 0.277 667 S C 0.582 175.175 174.600 -0.012 0.000 1.346 667 S CA -0.227 57.966 58.200 -0.012 0.000 1.034 667 S CB 0.300 63.547 63.200 0.077 0.000 0.879 667 S HN 0.385 nan 8.310 nan 0.000 0.528 668 T N 2.765 117.344 114.554 0.041 0.000 2.908 668 T HA 0.369 4.711 4.350 -0.013 0.000 0.301 668 T C 0.763 175.472 174.700 0.015 0.000 1.019 668 T CA 0.287 62.413 62.100 0.044 0.000 1.152 668 T CB -0.024 68.942 68.868 0.162 0.000 0.966 668 T HN 1.020 nan 8.240 nan 0.000 0.540 669 A N 2.675 125.475 122.820 -0.034 0.000 2.566 669 A HA 0.452 4.764 4.320 -0.013 0.000 0.245 669 A C 1.640 179.212 177.584 -0.019 0.000 1.056 669 A CA 0.292 52.303 52.037 -0.044 0.000 0.757 669 A CB -0.895 18.068 19.000 -0.061 0.000 0.979 669 A HN 1.716 nan 8.150 nan 0.000 0.508 670 G N 1.395 110.180 108.800 -0.026 0.000 2.176 670 G HA2 -0.243 3.709 3.960 -0.013 0.000 0.232 670 G HA3 -0.243 3.709 3.960 -0.013 0.000 0.232 670 G C 0.866 175.738 174.900 -0.047 0.000 0.986 670 G CA 1.123 46.208 45.100 -0.026 0.000 0.643 670 G HN 1.966 nan 8.290 nan 0.000 0.522 671 T N -2.411 112.104 114.554 -0.065 0.000 3.038 671 T HA 0.401 4.744 4.350 -0.013 0.000 0.244 671 T C 0.770 175.259 174.700 -0.352 0.000 1.016 671 T CA 1.067 63.040 62.100 -0.211 0.000 1.098 671 T CB 0.516 69.280 68.868 -0.173 0.000 0.954 671 T HN 0.298 nan 8.240 nan 0.000 0.469 672 E N 1.430 121.567 120.200 -0.105 0.000 2.105 672 E HA 0.651 4.993 4.350 -0.013 0.000 0.285 672 E C 1.153 177.689 176.600 -0.107 0.000 1.055 672 E CA 0.097 56.489 56.400 -0.013 0.000 0.843 672 E CB 0.880 30.655 29.700 0.125 0.000 1.067 672 E HN 0.349 nan 8.360 nan 0.000 0.398 673 A N 3.450 126.137 122.820 -0.221 0.000 1.892 673 A HA -0.209 4.103 4.320 -0.013 0.000 0.218 673 A C 1.979 179.441 177.584 -0.204 0.000 1.188 673 A CA 2.246 54.030 52.037 -0.421 0.000 0.631 673 A CB -0.276 18.226 19.000 -0.831 0.000 0.822 673 A HN 0.606 nan 8.150 nan 0.000 0.447 674 S N -3.851 111.786 115.700 -0.105 0.000 3.984 674 S HA 0.455 4.917 4.470 -0.013 0.000 0.221 674 S C 0.696 175.282 174.600 -0.023 0.000 1.149 674 S CA 1.441 59.623 58.200 -0.030 0.000 0.950 674 S CB -0.091 63.115 63.200 0.010 0.000 1.216 674 S HN 2.261 nan 8.310 nan 0.000 0.547 675 G N 0.362 109.155 108.800 -0.011 0.000 2.721 675 G HA2 -0.055 3.897 3.960 -0.013 0.000 0.686 675 G HA3 -0.055 3.897 3.960 -0.013 0.000 0.686 675 G C 0.252 175.134 174.900 -0.030 0.000 1.236 675 G CA 0.461 45.553 45.100 -0.014 0.000 0.786 675 G HN 1.302 nan 8.290 nan 0.000 0.616 676 T N -1.792 112.733 114.554 -0.047 0.000 3.010 676 T HA 0.379 4.721 4.350 -0.013 0.000 0.253 676 T C 2.441 177.052 174.700 -0.150 0.000 0.939 676 T CA 1.301 63.347 62.100 -0.090 0.000 0.910 676 T CB 0.177 68.988 68.868 -0.095 0.000 1.226 676 T HN 1.926 nan 8.240 nan 0.000 0.508 677 G N 3.274 112.010 108.800 -0.108 0.000 2.469 677 G HA2 -0.332 3.620 3.960 -0.013 0.000 0.219 677 G HA3 -0.332 3.620 3.960 -0.013 0.000 0.219 677 G C 1.472 176.425 174.900 0.089 0.000 1.150 677 G CA 1.343 46.406 45.100 -0.063 0.000 0.763 677 G HN 0.847 nan 8.290 nan 0.000 0.561 678 N N -0.079 118.651 118.700 0.051 0.000 2.091 678 N HA -0.123 4.609 4.740 -0.013 0.000 0.193 678 N C 1.461 176.979 175.510 0.013 0.000 1.021 678 N CA 0.722 53.800 53.050 0.046 0.000 0.862 678 N CB -0.354 38.114 38.487 -0.032 0.000 1.018 678 N HN 0.354 nan 8.380 nan 0.000 0.429 682 M N 0.184 119.868 119.600 0.140 0.000 2.175 682 M HA -0.114 4.359 4.480 -0.013 0.000 0.264 682 M C 1.945 178.297 176.300 0.086 0.000 1.063 682 M CA 1.700 57.054 55.300 0.089 0.000 1.119 682 M CB -0.008 32.641 32.600 0.082 0.000 1.377 682 M HN 0.308 nan 8.290 nan 0.000 0.415 683 L N 0.744 122.016 121.223 0.082 0.000 2.217 683 L HA -0.077 4.255 4.340 -0.013 0.000 0.211 683 L C 1.350 178.261 176.870 0.068 0.000 1.107 683 L CA 1.621 56.513 54.840 0.088 0.000 0.783 683 L CB -0.581 41.539 42.059 0.102 0.000 0.919 683 L HN 0.341 nan 8.230 nan 0.000 0.442 684 N N -0.357 118.375 118.700 0.053 0.000 2.235 684 N HA 0.169 4.902 4.740 -0.013 0.000 0.209 684 N C 0.811 176.353 175.510 0.054 0.000 1.122 684 N CA 0.788 53.862 53.050 0.040 0.000 0.845 684 N CB 0.606 39.094 38.487 0.001 0.000 1.004 684 N HN 0.392 nan 8.380 nan 0.000 0.499 685 G N 0.622 109.460 108.800 0.063 0.000 2.142 685 G HA2 -0.192 3.760 3.960 -0.013 0.000 0.225 685 G HA3 -0.192 3.760 3.960 -0.013 0.000 0.225 685 G C -0.016 174.949 174.900 0.108 0.000 1.015 685 G CA 0.123 45.260 45.100 0.062 0.000 0.716 685 G HN 0.507 nan 8.290 nan 0.000 0.508 686 A N -0.347 122.549 122.820 0.128 0.000 2.312 686 A HA 0.886 5.198 4.320 -0.013 0.000 0.328 686 A C 0.453 178.040 177.584 0.005 0.000 1.158 686 A CA -0.605 51.524 52.037 0.153 0.000 0.821 686 A CB 0.977 20.131 19.000 0.256 0.000 1.170 686 A HN 0.728 nan 8.150 nan 0.000 0.490 687 L N 0.707 121.897 121.223 -0.055 0.000 2.421 687 L HA 0.446 4.778 4.340 -0.013 0.000 0.263 687 L C 0.192 176.942 176.870 -0.200 0.000 1.122 687 L CA -0.351 54.358 54.840 -0.219 0.000 0.804 687 L CB 1.489 43.345 42.059 -0.339 0.000 1.150 687 L HN 0.683 nan 8.230 nan 0.000 0.457 688 T N 2.630 116.942 114.554 -0.402 0.000 2.779 688 T HA 0.451 4.794 4.350 -0.013 0.000 0.280 688 T C -0.393 174.212 174.700 -0.157 0.000 0.987 688 T CA -0.254 61.604 62.100 -0.403 0.000 0.966 688 T CB 1.434 69.880 68.868 -0.703 0.000 0.933 688 T HN 0.343 nan 8.240 nan 0.000 0.442 689 I N 3.069 123.633 120.570 -0.010 0.000 2.321 689 I HA 0.709 4.871 4.170 -0.013 0.000 0.291 689 I C 0.136 176.411 176.117 0.264 0.000 0.998 689 I CA 0.117 61.524 61.300 0.178 0.000 1.227 689 I CB 0.333 38.375 38.000 0.070 0.000 1.368 689 I HN 0.781 nan 8.210 nan 0.000 0.466 690 G N 3.957 112.989 108.800 0.386 0.000 2.646 690 G HA2 0.434 4.387 3.960 -0.013 0.000 0.291 690 G HA3 0.434 4.387 3.960 -0.013 0.000 0.291 690 G C -0.888 173.950 174.900 -0.104 0.000 1.445 690 G CA -0.430 44.796 45.100 0.209 0.000 0.814 690 G HN 0.592 nan 8.290 nan 0.000 0.495 691 T N -1.218 113.140 114.554 -0.327 0.000 2.849 691 T HA 0.482 4.824 4.350 -0.013 0.000 0.284 691 T C 0.804 175.388 174.700 -0.193 0.000 1.004 691 T CA -0.639 61.196 62.100 -0.443 0.000 1.021 691 T CB 1.043 69.672 68.868 -0.398 0.000 1.013 691 T HN 0.268 nan 8.240 nan 0.000 0.527 692 M N 2.901 122.396 119.600 -0.174 0.000 3.442 692 M HA 0.301 4.774 4.480 -0.013 0.000 0.232 692 M C -0.415 175.830 176.300 -0.091 0.000 1.508 692 M CA 0.026 55.259 55.300 -0.112 0.000 1.647 692 M CB -1.800 30.743 32.600 -0.095 0.000 1.126 692 M HN 0.733 nan 8.290 nan 0.000 0.557 693 D N -0.026 120.326 120.400 -0.079 0.000 2.671 693 D HA 0.672 5.304 4.640 -0.013 0.000 0.232 693 D C 0.707 176.981 176.300 -0.042 0.000 1.114 693 D CA 0.710 54.677 54.000 -0.056 0.000 0.858 693 D CB 1.729 42.497 40.800 -0.052 0.000 1.544 693 D HN 0.598 nan 8.370 nan 0.000 0.471 694 G N 1.731 110.514 108.800 -0.029 0.000 2.627 694 G HA2 -0.258 3.695 3.960 -0.013 0.000 0.312 694 G HA3 -0.258 3.695 3.960 -0.013 0.000 0.312 694 G C 1.039 175.927 174.900 -0.020 0.000 1.299 694 G CA 1.157 46.244 45.100 -0.022 0.000 0.989 694 G HN 1.055 nan 8.290 nan 0.000 0.547 695 A N -0.372 122.430 122.820 -0.030 0.000 2.167 695 A HA 0.095 4.407 4.320 -0.013 0.000 0.214 695 A C 2.123 179.640 177.584 -0.112 0.000 1.151 695 A CA 1.798 53.809 52.037 -0.043 0.000 0.735 695 A CB -0.456 18.503 19.000 -0.067 0.000 0.802 695 A HN 0.643 nan 8.150 nan 0.000 0.467 696 N N 0.689 119.332 118.700 -0.094 0.000 2.091 696 N HA -0.175 4.557 4.740 -0.013 0.000 0.193 696 N C 1.594 176.981 175.510 -0.205 0.000 1.021 696 N CA 1.709 54.698 53.050 -0.102 0.000 0.862 696 N CB -0.725 37.749 38.487 -0.022 0.000 1.018 696 N HN 0.299 nan 8.380 nan 0.000 0.429 697 V N 1.213 121.047 119.914 -0.134 0.000 2.332 697 V HA -0.220 3.893 4.120 -0.013 0.000 0.248 697 V C 2.001 178.022 176.094 -0.121 0.000 1.055 697 V CA 1.735 63.955 62.300 -0.132 0.000 1.038 697 V CB -0.515 31.265 31.823 -0.073 0.000 0.651 697 V HN 0.364 nan 8.190 nan 0.000 0.450 698 E N -0.593 119.587 120.200 -0.032 0.000 2.158 698 E HA -0.123 4.219 4.350 -0.013 0.000 0.191 698 E C 2.224 178.930 176.600 0.175 0.000 0.982 698 E CA 1.012 57.470 56.400 0.097 0.000 0.823 698 E CB -0.195 29.650 29.700 0.241 0.000 0.766 698 E HN 0.537 nan 8.360 nan 0.000 0.468 699 M N 0.639 120.234 119.600 -0.007 0.000 2.065 699 M HA -0.181 4.291 4.480 -0.013 0.000 0.259 699 M C 2.525 178.600 176.300 -0.375 0.000 1.069 699 M CA 1.700 56.929 55.300 -0.118 0.000 1.110 699 M CB -0.275 32.164 32.600 -0.267 0.000 1.328 699 M HN 0.144 nan 8.290 nan 0.000 0.405 700 A N -0.210 122.092 122.820 -0.863 0.000 1.933 700 A HA -0.224 4.088 4.320 -0.013 0.000 0.218 700 A C 2.000 179.387 177.584 -0.329 0.000 1.175 700 A CA 1.994 53.488 52.037 -0.905 0.000 0.628 700 A CB -0.833 17.660 19.000 -0.845 0.000 0.814 700 A HN 0.610 nan 8.150 nan 0.000 0.444 701 E N -0.402 119.678 120.200 -0.200 0.000 2.072 701 E HA -0.211 4.131 4.350 -0.013 0.000 0.191 701 E C 1.782 178.354 176.600 -0.045 0.000 0.985 701 E CA 1.198 57.542 56.400 -0.093 0.000 0.801 701 E CB -0.092 29.572 29.700 -0.059 0.000 0.750 701 E HN 0.545 nan 8.360 nan 0.000 0.452 702 E N 0.271 120.471 120.200 0.001 0.000 2.051 702 E HA -0.157 4.185 4.350 -0.013 0.000 0.192 702 E C 1.903 178.526 176.600 0.038 0.000 0.991 702 E CA 1.242 57.663 56.400 0.036 0.000 0.799 702 E CB -0.262 29.511 29.700 0.120 0.000 0.748 702 E HN 0.377 nan 8.360 nan 0.000 0.449 703 A N 0.323 123.174 122.820 0.052 0.000 2.021 703 A HA 0.309 4.621 4.320 -0.013 0.000 0.216 703 A C 1.080 178.685 177.584 0.034 0.000 1.163 703 A CA 1.181 53.265 52.037 0.078 0.000 0.676 703 A CB -0.074 19.040 19.000 0.190 0.000 0.818 703 A HN 0.278 nan 8.150 nan 0.000 0.453 704 G N -0.698 108.095 108.800 -0.010 0.000 3.055 704 G HA2 -0.093 3.859 3.960 -0.013 0.000 0.686 704 G HA3 -0.093 3.859 3.960 -0.013 0.000 0.686 704 G C -0.026 174.857 174.900 -0.027 0.000 1.087 704 G CA 0.005 45.091 45.100 -0.024 0.000 0.779 704 G HN 0.242 nan 8.290 nan 0.000 0.599 705 E N 0.918 121.089 120.200 -0.049 0.000 2.209 705 E HA -0.159 4.184 4.350 -0.013 0.000 0.196 705 E C 2.043 178.629 176.600 -0.023 0.000 0.993 705 E CA 1.706 58.083 56.400 -0.039 0.000 0.819 705 E CB 0.076 29.750 29.700 -0.043 0.000 0.745 705 E HN 0.764 nan 8.360 nan 0.000 0.477 706 E N 0.758 120.934 120.200 -0.041 0.000 2.265 706 E HA -0.107 4.235 4.350 -0.013 0.000 0.196 706 E C 0.963 177.478 176.600 -0.141 0.000 0.996 706 E CA 0.686 57.041 56.400 -0.075 0.000 0.832 706 E CB -0.035 29.632 29.700 -0.054 0.000 0.756 706 E HN 0.149 nan 8.360 nan 0.000 0.491 707 N N -0.415 118.232 118.700 -0.089 0.000 2.251 707 N HA 0.161 4.893 4.740 -0.013 0.000 0.217 707 N C -0.968 174.459 175.510 -0.138 0.000 1.124 707 N CA 0.078 53.047 53.050 -0.134 0.000 0.843 707 N CB 0.396 38.860 38.487 -0.038 0.000 1.024 707 N HN 0.042 nan 8.380 nan 0.000 0.501 708 F N -0.446 119.275 119.950 -0.381 0.000 2.599 708 F HA 0.415 4.933 4.527 -0.014 0.000 0.311 708 F C -0.918 174.638 175.800 -0.408 0.000 1.076 708 F CA -1.071 56.744 58.000 -0.307 0.000 0.937 708 F CB 1.407 40.327 39.000 -0.133 0.000 1.282 708 F HN -0.224 nan 8.300 nan 0.000 0.460 709 F N 5.260 125.239 119.950 0.049 0.000 2.300 709 F HA 0.395 4.915 4.527 -0.013 0.000 0.364 709 F C -0.320 175.624 175.800 0.239 0.000 1.090 709 F CA -0.596 57.462 58.000 0.098 0.000 1.200 709 F CB 0.064 39.069 39.000 0.007 0.000 1.493 709 F HN -0.013 nan 8.300 nan 0.000 0.518 710 I N 4.147 124.926 120.570 0.349 0.000 2.396 710 I HA 0.374 4.536 4.170 -0.013 0.000 0.292 710 I C -0.127 176.181 176.117 0.318 0.000 0.999 710 I CA -0.714 60.752 61.300 0.277 0.000 1.310 710 I CB 0.748 38.830 38.000 0.137 0.000 1.404 710 I HN 0.362 nan 8.210 nan 0.000 0.496 711 F N 2.599 122.618 119.950 0.115 0.000 2.686 711 F HA 0.873 5.392 4.527 -0.013 0.000 0.311 711 F C -0.053 175.791 175.800 0.072 0.000 1.128 711 F CA -0.509 57.548 58.000 0.096 0.000 0.946 711 F CB 1.352 40.423 39.000 0.118 0.000 1.336 711 F HN 0.812 nan 8.300 nan 0.000 0.457 712 G N 1.079 109.939 108.800 0.099 0.000 2.702 712 G HA2 -0.037 3.916 3.960 -0.013 0.000 0.586 712 G HA3 -0.037 3.916 3.960 -0.013 0.000 0.586 712 G C -0.996 173.881 174.900 -0.039 0.000 1.321 712 G CA -0.678 44.422 45.100 -0.001 0.000 0.870 712 G HN 0.954 nan 8.290 nan 0.000 0.529 713 M N 0.927 120.514 119.600 -0.022 0.000 2.249 713 M HA 0.226 4.698 4.480 -0.013 0.000 0.340 713 M C 1.202 177.469 176.300 -0.054 0.000 1.166 713 M CA -0.026 55.266 55.300 -0.013 0.000 1.115 713 M CB 0.322 32.924 32.600 0.002 0.000 1.606 713 M HN 0.524 nan 8.290 nan 0.000 0.448 714 R N 1.799 122.279 120.500 -0.033 0.000 2.580 714 R HA 0.236 4.568 4.340 -0.013 0.000 0.267 714 R C 1.239 177.521 176.300 -0.030 0.000 1.125 714 R CA -0.555 55.520 56.100 -0.041 0.000 1.188 714 R CB -0.156 30.127 30.300 -0.029 0.000 1.155 714 R HN 0.580 nan 8.270 nan 0.000 0.586 715 V N 1.459 121.354 119.914 -0.032 0.000 2.278 715 V HA -0.293 3.819 4.120 -0.013 0.000 0.251 715 V C 1.893 177.977 176.094 -0.016 0.000 1.062 715 V CA 2.166 64.450 62.300 -0.026 0.000 1.038 715 V CB -0.500 31.306 31.823 -0.029 0.000 0.646 715 V HN 0.633 nan 8.190 nan 0.000 0.447 716 E N 0.093 120.286 120.200 -0.013 0.000 2.110 716 E HA -0.179 4.164 4.350 -0.013 0.000 0.193 716 E C 1.945 178.549 176.600 0.007 0.000 0.988 716 E CA 1.331 57.728 56.400 -0.005 0.000 0.804 716 E CB -0.363 29.334 29.700 -0.004 0.000 0.745 716 E HN 0.632 nan 8.360 nan 0.000 0.458 717 D N -0.157 120.249 120.400 0.010 0.000 2.144 717 D HA -0.092 4.540 4.640 -0.013 0.000 0.200 717 D C 1.955 178.272 176.300 0.029 0.000 0.978 717 D CA 0.752 54.768 54.000 0.027 0.000 0.833 717 D CB -0.071 40.749 40.800 0.033 0.000 0.961 717 D HN 0.067 nan 8.370 nan 0.000 0.470 718 V N 1.821 121.740 119.914 0.009 0.000 2.343 718 V HA -0.209 3.904 4.120 -0.013 0.000 0.247 718 V C 1.910 178.007 176.094 0.004 0.000 1.051 718 V CA 1.684 63.983 62.300 -0.002 0.000 1.036 718 V CB -0.395 31.416 31.823 -0.020 0.000 0.654 718 V HN 0.021 nan 8.190 nan 0.000 0.451 719 D N -0.105 120.297 120.400 0.003 0.000 2.117 719 D HA -0.143 4.489 4.640 -0.013 0.000 0.197 719 D C 2.393 178.705 176.300 0.020 0.000 0.987 719 D CA 1.170 55.173 54.000 0.006 0.000 0.829 719 D CB -0.284 40.515 40.800 -0.001 0.000 0.961 719 D HN 0.331 nan 8.370 nan 0.000 0.460 720 R N -0.172 120.344 120.500 0.028 0.000 2.083 720 R HA -0.127 4.205 4.340 -0.013 0.000 0.237 720 R C 2.191 178.526 176.300 0.058 0.000 1.137 720 R CA 0.686 56.810 56.100 0.040 0.000 0.951 720 R CB -0.439 29.887 30.300 0.043 0.000 0.851 720 R HN 0.117 nan 8.270 nan 0.000 0.434 721 L N 1.110 122.378 121.223 0.074 0.000 2.083 721 L HA -0.166 4.166 4.340 -0.013 0.000 0.209 721 L C 1.327 178.261 176.870 0.108 0.000 1.083 721 L CA 1.878 56.788 54.840 0.116 0.000 0.752 721 L CB -0.448 41.697 42.059 0.144 0.000 0.899 721 L HN 0.109 nan 8.230 nan 0.000 0.433 722 D N -0.988 119.450 120.400 0.063 0.000 2.117 722 D HA -0.191 4.441 4.640 -0.013 0.000 0.198 722 D C 2.183 178.512 176.300 0.049 0.000 0.982 722 D CA 1.070 55.099 54.000 0.049 0.000 0.828 722 D CB 0.032 40.841 40.800 0.015 0.000 0.967 722 D HN 0.479 nan 8.370 nan 0.000 0.464 723 Q N 0.015 119.839 119.800 0.041 0.000 2.084 723 Q HA -0.074 4.258 4.340 -0.013 0.000 0.202 723 Q C 2.254 178.280 176.000 0.042 0.000 0.978 723 Q CA 0.985 56.809 55.803 0.035 0.000 0.844 723 Q CB 0.073 28.828 28.738 0.028 0.000 0.898 723 Q HN 0.124 nan 8.270 nan 0.000 0.426 724 R N -0.693 119.840 120.500 0.054 0.000 2.090 724 R HA 0.024 4.356 4.340 -0.013 0.000 0.228 724 R C -0.041 176.296 176.300 0.062 0.000 1.110 724 R CA 0.817 56.950 56.100 0.056 0.000 0.973 724 R CB 0.291 30.631 30.300 0.067 0.000 0.869 724 R HN 0.296 nan 8.270 nan 0.000 0.440 725 G N -0.129 108.722 108.800 0.086 0.000 3.434 725 G HA2 -0.253 3.699 3.960 -0.013 0.000 0.686 725 G HA3 -0.253 3.699 3.960 -0.013 0.000 0.686 725 G C -1.329 173.660 174.900 0.149 0.000 1.099 725 G CA -0.585 44.574 45.100 0.098 0.000 0.931 725 G HN 0.259 nan 8.290 nan 0.000 0.520 726 Y N 3.149 123.478 120.300 0.049 0.000 2.480 726 Y HA 0.559 5.101 4.550 -0.013 0.000 0.341 726 Y C 0.313 176.261 175.900 0.081 0.000 1.031 726 Y CA -0.942 57.206 58.100 0.080 0.000 1.295 726 Y CB 1.043 39.534 38.460 0.050 0.000 1.162 726 Y HN 0.627 nan 8.280 nan 0.000 0.523 727 N N 4.838 123.327 118.700 -0.351 0.000 2.564 727 N HA 0.367 5.100 4.740 -0.013 0.000 0.248 727 N C 0.265 175.521 175.510 -0.424 0.000 0.986 727 N CA 0.230 53.074 53.050 -0.344 0.000 0.921 727 N CB 1.209 39.615 38.487 -0.135 0.000 1.136 727 N HN 0.752 nan 8.380 nan 0.000 0.509 728 A N 2.834 125.311 122.820 -0.571 0.000 1.972 728 A HA -0.182 4.131 4.320 -0.013 0.000 0.219 728 A C 1.887 179.581 177.584 0.182 0.000 1.169 728 A CA 1.389 53.289 52.037 -0.227 0.000 0.635 728 A CB -0.489 18.270 19.000 -0.402 0.000 0.810 728 A HN 0.716 nan 8.150 nan 0.000 0.446 729 Q N 0.289 120.094 119.800 0.008 0.000 2.112 729 Q HA -0.244 4.088 4.340 -0.013 0.000 0.206 729 Q C 1.901 177.973 176.000 0.119 0.000 0.987 729 Q CA 2.336 58.173 55.803 0.056 0.000 0.858 729 Q CB -0.384 28.341 28.738 -0.021 0.000 0.905 729 Q HN 0.766 nan 8.270 nan 0.000 0.420 730 E N -1.432 118.774 120.200 0.011 0.000 2.097 730 E HA -0.247 4.095 4.350 -0.013 0.000 0.196 730 E C 1.587 178.112 176.600 -0.126 0.000 1.000 730 E CA 1.516 57.850 56.400 -0.111 0.000 0.804 730 E CB -0.193 29.341 29.700 -0.276 0.000 0.740 730 E HN 0.584 nan 8.360 nan 0.000 0.454 731 Y N -1.095 119.277 120.300 0.120 0.000 2.184 731 Y HA -0.211 4.331 4.550 -0.013 0.000 0.290 731 Y C 2.252 178.167 175.900 0.026 0.000 1.129 731 Y CA 1.536 59.700 58.100 0.106 0.000 1.144 731 Y CB -0.788 37.793 38.460 0.202 0.000 0.995 731 Y HN 0.207 nan 8.280 nan 0.000 0.513 732 Y N 1.418 121.770 120.300 0.087 0.000 2.151 732 Y HA -0.305 4.237 4.550 -0.013 0.000 0.284 732 Y C 1.802 177.681 175.900 -0.035 0.000 1.166 732 Y CA 1.946 60.018 58.100 -0.046 0.000 1.163 732 Y CB -0.427 38.064 38.460 0.052 0.000 0.974 732 Y HN 0.100 nan 8.280 nan 0.000 0.511 733 D N -0.451 120.051 120.400 0.169 0.000 2.183 733 D HA -0.088 4.544 4.640 -0.013 0.000 0.203 733 D C 1.836 178.116 176.300 -0.033 0.000 0.969 733 D CA 1.200 55.238 54.000 0.064 0.000 0.842 733 D CB -0.082 40.772 40.800 0.090 0.000 0.957 733 D HN 0.477 nan 8.370 nan 0.000 0.484 734 R N -0.295 120.186 120.500 -0.031 0.000 2.334 734 R HA 0.289 4.622 4.340 -0.013 0.000 0.212 734 R C 0.298 176.581 176.300 -0.028 0.000 0.897 734 R CA 0.064 56.144 56.100 -0.033 0.000 1.056 734 R CB 1.225 31.503 30.300 -0.038 0.000 1.046 734 R HN 0.143 nan 8.270 nan 0.000 0.513 735 I N 2.181 122.718 120.570 -0.055 0.000 2.437 735 I HA 0.227 4.389 4.170 -0.013 0.000 0.279 735 I C -1.958 174.077 176.117 -0.136 0.000 1.028 735 I CA -2.314 58.958 61.300 -0.048 0.000 1.142 735 I CB 2.181 40.187 38.000 0.009 0.000 1.266 735 I HN -0.290 nan 8.210 nan 0.000 0.461 736 P HA -0.146 nan 4.420 nan 0.000 0.216 736 P C 1.199 178.413 177.300 -0.144 0.000 1.150 736 P CA 1.299 64.316 63.100 -0.139 0.000 0.837 736 P CB 0.323 31.971 31.700 -0.087 0.000 0.786 737 E N -0.975 119.176 120.200 -0.082 0.000 2.150 737 E HA -0.158 4.184 4.350 -0.013 0.000 0.193 737 E C 1.824 178.337 176.600 -0.144 0.000 0.985 737 E CA 0.679 57.045 56.400 -0.055 0.000 0.814 737 E CB -0.531 29.202 29.700 0.057 0.000 0.752 737 E HN 0.127 nan 8.360 nan 0.000 0.466 738 L N 1.104 122.161 121.223 -0.276 0.000 2.109 738 L HA -0.094 4.238 4.340 -0.013 0.000 0.207 738 L C 2.326 178.942 176.870 -0.425 0.000 1.086 738 L CA 1.535 56.051 54.840 -0.539 0.000 0.760 738 L CB -0.266 41.319 42.059 -0.791 0.000 0.910 738 L HN -0.104 nan 8.230 nan 0.000 0.437 739 R N -0.782 119.451 120.500 -0.446 0.000 2.091 739 R HA -0.236 4.096 4.340 -0.013 0.000 0.238 739 R C 2.397 178.534 176.300 -0.272 0.000 1.136 739 R CA 1.976 57.730 56.100 -0.576 0.000 0.959 739 R CB -0.370 29.507 30.300 -0.705 0.000 0.856 739 R HN 0.600 nan 8.270 nan 0.000 0.437 740 Q N 0.406 120.084 119.800 -0.204 0.000 2.096 740 Q HA -0.188 4.144 4.340 -0.013 0.000 0.204 740 Q C 2.075 178.024 176.000 -0.086 0.000 0.982 740 Q CA 1.932 57.659 55.803 -0.126 0.000 0.850 740 Q CB -0.084 28.582 28.738 -0.120 0.000 0.901 740 Q HN 0.480 nan 8.270 nan 0.000 0.422 741 I N 0.549 121.064 120.570 -0.091 0.000 2.179 741 I HA -0.283 3.880 4.170 -0.013 0.000 0.242 741 I C 2.127 178.262 176.117 0.030 0.000 1.088 741 I CA 0.610 61.891 61.300 -0.031 0.000 1.357 741 I CB -0.305 37.650 38.000 -0.074 0.000 1.051 741 I HN 0.285 nan 8.210 nan 0.000 0.409 742 I N 0.926 121.516 120.570 0.033 0.000 2.226 742 I HA -0.254 3.909 4.170 -0.013 0.000 0.245 742 I C 2.464 178.680 176.117 0.165 0.000 1.100 742 I CA 1.692 63.081 61.300 0.148 0.000 1.374 742 I CB -1.333 36.846 38.000 0.299 0.000 1.057 742 I HN 0.357 nan 8.210 nan 0.000 0.413 743 E N 0.363 120.641 120.200 0.129 0.000 2.110 743 E HA -0.237 4.105 4.350 -0.013 0.000 0.193 743 E C 2.171 178.837 176.600 0.110 0.000 0.988 743 E CA 0.951 57.421 56.400 0.116 0.000 0.804 743 E CB -0.153 29.588 29.700 0.067 0.000 0.745 743 E HN 0.589 nan 8.360 nan 0.000 0.458 744 Q N 0.508 120.355 119.800 0.079 0.000 2.084 744 Q HA -0.141 4.192 4.340 -0.013 0.000 0.202 744 Q C 2.374 178.552 176.000 0.297 0.000 0.978 744 Q CA 1.033 56.898 55.803 0.105 0.000 0.844 744 Q CB -0.064 28.653 28.738 -0.036 0.000 0.898 744 Q HN 0.303 nan 8.270 nan 0.000 0.426 745 L N -0.078 121.321 121.223 0.293 0.000 2.017 745 L HA -0.196 4.137 4.340 -0.013 0.000 0.208 745 L C 2.452 179.502 176.870 0.300 0.000 1.073 745 L CA 1.066 56.099 54.840 0.321 0.000 0.745 745 L CB -0.391 41.778 42.059 0.183 0.000 0.894 745 L HN 0.155 nan 8.230 nan 0.000 0.432 746 S N -0.280 115.552 115.700 0.221 0.000 2.368 746 S HA -0.154 4.309 4.470 -0.013 0.000 0.225 746 S C 2.071 176.773 174.600 0.170 0.000 1.030 746 S CA 1.549 59.860 58.200 0.184 0.000 0.999 746 S CB -0.238 63.051 63.200 0.148 0.000 0.844 746 S HN 0.607 nan 8.310 nan 0.000 0.459 747 S N 0.308 116.112 115.700 0.172 0.000 2.527 747 S HA 0.348 4.811 4.470 -0.013 0.000 0.222 747 S C 1.407 176.097 174.600 0.149 0.000 0.985 747 S CA 0.655 58.941 58.200 0.144 0.000 0.921 747 S CB 0.050 63.328 63.200 0.131 0.000 0.772 747 S HN 0.824 nan 8.310 nan 0.000 0.529 748 G N 0.527 109.448 108.800 0.202 0.000 2.135 748 G HA2 -0.254 3.698 3.960 -0.013 0.000 0.183 748 G HA3 -0.254 3.698 3.960 -0.013 0.000 0.183 748 G C 0.157 175.150 174.900 0.156 0.000 1.004 748 G CA 0.065 45.270 45.100 0.175 0.000 0.677 748 G HN 0.473 nan 8.290 nan 0.000 0.512 749 F N 0.378 120.343 119.950 0.025 0.000 2.171 749 F HA 0.192 4.711 4.527 -0.013 0.000 0.300 749 F C 1.908 177.528 175.800 -0.300 0.000 1.090 749 F CA 1.975 59.868 58.000 -0.178 0.000 1.293 749 F CB -0.044 38.773 39.000 -0.305 0.000 1.013 749 F HN 0.171 nan 8.300 nan 0.000 0.486 750 F N -0.366 119.743 119.950 0.264 0.000 2.727 750 F HA 0.188 4.708 4.527 -0.013 0.000 0.302 750 F C 0.683 176.595 175.800 0.186 0.000 1.097 750 F CA 0.273 58.384 58.000 0.184 0.000 1.330 750 F CB -0.139 38.985 39.000 0.208 0.000 1.084 750 F HN -0.039 nan 8.300 nan 0.000 0.578 751 S N -1.830 114.016 115.700 0.242 0.000 2.440 751 S HA 0.317 4.779 4.470 -0.013 0.000 0.142 751 S C -2.454 172.159 174.600 0.021 0.000 1.578 751 S CA -1.037 57.225 58.200 0.102 0.000 1.260 751 S CB 0.880 64.088 63.200 0.012 0.000 1.407 751 S HN -0.180 nan 8.310 nan 0.000 0.392 752 P HA -0.077 nan 4.420 nan 0.000 0.215 752 P C 1.111 178.395 177.300 -0.026 0.000 1.153 752 P CA 1.251 64.323 63.100 -0.046 0.000 0.853 752 P CB 0.098 31.745 31.700 -0.089 0.000 0.788 753 K N -1.227 119.159 120.400 -0.024 0.000 2.366 753 K HA -0.010 4.302 4.320 -0.013 0.000 0.198 753 K C 1.114 177.706 176.600 -0.012 0.000 1.044 753 K CA 0.587 56.864 56.287 -0.017 0.000 0.973 753 K CB 0.100 32.591 32.500 -0.015 0.000 0.767 753 K HN 0.179 nan 8.250 nan 0.000 0.475 754 Q N 0.107 119.897 119.800 -0.017 0.000 3.300 754 Q HA 0.141 4.473 4.340 -0.013 0.000 0.271 754 Q C -2.339 173.644 176.000 -0.028 0.000 0.926 754 Q CA -1.747 54.040 55.803 -0.025 0.000 0.788 754 Q CB 1.228 29.942 28.738 -0.039 0.000 1.385 754 Q HN -0.106 nan 8.270 nan 0.000 0.424 755 P HA -0.187 nan 4.420 nan 0.000 0.217 755 P C 0.482 177.809 177.300 0.045 0.000 1.148 755 P CA 1.366 64.486 63.100 0.034 0.000 0.828 755 P CB 0.217 31.939 31.700 0.037 0.000 0.783 756 D N -1.293 119.118 120.400 0.018 0.000 2.342 756 D HA -0.007 4.625 4.640 -0.013 0.000 0.221 756 D C 1.632 177.925 176.300 -0.011 0.000 1.101 756 D CA -0.223 53.796 54.000 0.032 0.000 0.837 756 D CB -0.611 40.210 40.800 0.034 0.000 0.938 756 D HN 0.022 nan 8.370 nan 0.000 0.508 757 L N 0.036 121.183 121.223 -0.126 0.000 2.051 757 L HA -0.099 4.233 4.340 -0.013 0.000 0.214 757 L C 1.254 177.935 176.870 -0.315 0.000 1.076 757 L CA 1.718 56.370 54.840 -0.313 0.000 0.758 757 L CB -0.632 41.044 42.059 -0.639 0.000 0.890 757 L HN -0.002 nan 8.230 nan 0.000 0.433 758 F N -0.795 119.210 119.950 0.093 0.000 2.639 758 F HA 0.119 4.638 4.527 -0.013 0.000 0.300 758 F C 1.862 177.712 175.800 0.083 0.000 1.109 758 F CA -0.127 57.917 58.000 0.074 0.000 1.335 758 F CB -0.233 38.801 39.000 0.056 0.000 1.014 758 F HN 0.114 nan 8.300 nan 0.000 0.537 759 K N -0.359 120.161 120.400 0.199 0.000 2.097 759 K HA -0.178 4.134 4.320 -0.013 0.000 0.206 759 K C 1.013 177.712 176.600 0.166 0.000 1.049 759 K CA 1.932 58.317 56.287 0.164 0.000 0.933 759 K CB -0.254 32.317 32.500 0.119 0.000 0.717 759 K HN 0.033 nan 8.250 nan 0.000 0.442 760 D N 1.283 121.792 120.400 0.182 0.000 2.117 760 D HA -0.096 4.537 4.640 -0.013 0.000 0.197 760 D C 1.971 178.373 176.300 0.169 0.000 0.987 760 D CA 1.137 55.251 54.000 0.190 0.000 0.829 760 D CB -0.099 40.855 40.800 0.256 0.000 0.961 760 D HN 0.304 nan 8.370 nan 0.000 0.460 761 I N 0.213 120.883 120.570 0.168 0.000 2.202 761 I HA -0.209 3.953 4.170 -0.013 0.000 0.242 761 I C 2.362 178.534 176.117 0.092 0.000 1.091 761 I CA 0.589 61.956 61.300 0.112 0.000 1.368 761 I CB -0.244 37.811 38.000 0.091 0.000 1.058 761 I HN -0.099 nan 8.210 nan 0.000 0.410 762 V N 1.248 121.232 119.914 0.117 0.000 2.343 762 V HA -0.301 3.812 4.120 -0.013 0.000 0.247 762 V C 2.234 178.352 176.094 0.042 0.000 1.051 762 V CA 2.412 64.767 62.300 0.091 0.000 1.036 762 V CB -1.007 30.888 31.823 0.119 0.000 0.654 762 V HN 0.478 nan 8.190 nan 0.000 0.451 763 N N -0.187 118.574 118.700 0.100 0.000 2.120 763 N HA -0.204 4.528 4.740 -0.013 0.000 0.188 763 N C 1.858 177.445 175.510 0.129 0.000 1.024 763 N CA 1.724 54.867 53.050 0.155 0.000 0.852 763 N CB -0.269 38.354 38.487 0.226 0.000 1.003 763 N HN 0.324 nan 8.380 nan 0.000 0.424 764 M N -0.125 119.558 119.600 0.138 0.000 2.067 764 M HA -0.119 4.354 4.480 -0.013 0.000 0.260 764 M C 1.458 177.749 176.300 -0.014 0.000 1.069 764 M CA 1.334 56.715 55.300 0.134 0.000 1.117 764 M CB -0.698 31.980 32.600 0.130 0.000 1.334 764 M HN 0.217 nan 8.290 nan 0.000 0.407 765 L N 0.764 121.931 121.223 -0.094 0.000 2.012 765 L HA -0.236 4.096 4.340 -0.013 0.000 0.210 765 L C 2.504 179.064 176.870 -0.516 0.000 1.073 765 L CA 1.753 56.406 54.840 -0.311 0.000 0.748 765 L CB -1.214 40.707 42.059 -0.230 0.000 0.891 765 L HN 0.353 nan 8.230 nan 0.000 0.431 766 M N -1.784 117.558 119.600 -0.430 0.000 2.254 766 M HA -0.089 4.383 4.480 -0.013 0.000 0.265 766 M C 1.825 177.663 176.300 -0.768 0.000 1.066 766 M CA 1.510 56.429 55.300 -0.634 0.000 1.123 766 M CB -0.837 31.284 32.600 -0.800 0.000 1.388 766 M HN 0.359 nan 8.290 nan 0.000 0.425 767 H N -2.976 115.921 119.070 -0.289 0.000 3.400 767 H HA 0.252 4.800 4.556 -0.013 0.000 0.251 767 H C 0.170 175.131 175.328 -0.611 0.000 1.040 767 H CA 0.393 56.138 56.048 -0.506 0.000 1.175 767 H CB 0.378 29.707 29.762 -0.722 0.000 1.487 767 H HN 0.510 nan 8.280 nan 0.000 0.505 768 H N 0.240 119.353 119.070 0.072 0.000 2.790 768 H HA 0.145 4.693 4.556 -0.013 0.000 0.232 768 H C -0.762 174.583 175.328 0.027 0.000 1.313 768 H CA -0.310 55.773 56.048 0.059 0.000 1.011 768 H CB 0.956 30.758 29.762 0.068 0.000 2.105 768 H HN -0.023 nan 8.280 nan 0.000 0.580 769 D N 1.010 121.465 120.400 0.092 0.000 2.456 769 D HA 0.117 4.750 4.640 -0.013 0.000 0.219 769 D C 1.017 177.267 176.300 -0.083 0.000 1.126 769 D CA -0.300 53.721 54.000 0.034 0.000 0.890 769 D CB 0.588 41.392 40.800 0.006 0.000 1.025 769 D HN 0.303 nan 8.370 nan 0.000 0.511 770 R N 2.145 122.507 120.500 -0.230 0.000 2.193 770 R HA -0.066 4.266 4.340 -0.013 0.000 0.229 770 R C 0.602 176.414 176.300 -0.812 0.000 1.110 770 R CA 0.990 56.730 56.100 -0.601 0.000 0.988 770 R CB 0.095 29.813 30.300 -0.970 0.000 0.871 770 R HN 0.409 nan 8.270 nan 0.000 0.458 771 F N 0.056 119.969 119.950 -0.062 0.000 2.661 771 F HA 0.273 4.792 4.527 -0.013 0.000 0.306 771 F C 0.075 175.763 175.800 -0.187 0.000 1.094 771 F CA -0.614 57.340 58.000 -0.077 0.000 1.254 771 F CB 0.304 39.325 39.000 0.036 0.000 1.040 771 F HN -0.249 nan 8.300 nan 0.000 0.562 772 K N -0.417 119.804 120.400 -0.297 0.000 3.150 772 K HA -0.174 4.138 4.320 -0.013 0.000 0.267 772 K C 0.972 177.462 176.600 -0.184 0.000 1.028 772 K CA 0.222 56.150 56.287 -0.599 0.000 0.753 772 K CB -1.952 30.134 32.500 -0.689 0.000 1.288 772 K HN 0.205 nan 8.250 nan 0.000 0.473 773 V N 0.003 119.896 119.914 -0.034 0.000 2.282 773 V HA -0.304 3.808 4.120 -0.013 0.000 0.249 773 V C 1.961 178.206 176.094 0.251 0.000 1.057 773 V CA 2.427 64.789 62.300 0.104 0.000 1.032 773 V CB -0.510 31.387 31.823 0.124 0.000 0.645 773 V HN 0.483 nan 8.190 nan 0.000 0.447 774 F N 0.155 120.106 119.950 0.001 0.000 2.171 774 F HA -0.197 4.322 4.527 -0.013 0.000 0.300 774 F C 2.512 178.110 175.800 -0.335 0.000 1.090 774 F CA 0.689 58.629 58.000 -0.100 0.000 1.293 774 F CB -0.369 38.574 39.000 -0.096 0.000 1.013 774 F HN 0.198 nan 8.300 nan 0.000 0.486 775 A N -0.573 122.097 122.820 -0.249 0.000 2.019 775 A HA -0.185 4.127 4.320 -0.013 0.000 0.219 775 A C 1.445 179.038 177.584 0.015 0.000 1.164 775 A CA 1.783 53.609 52.037 -0.351 0.000 0.644 775 A CB -0.446 18.489 19.000 -0.109 0.000 0.805 775 A HN 0.227 nan 8.150 nan 0.000 0.449 776 D N -2.646 117.814 120.400 0.099 0.000 2.369 776 D HA 0.086 4.718 4.640 -0.013 0.000 0.211 776 D C 1.129 177.589 176.300 0.267 0.000 1.077 776 D CA -0.009 54.121 54.000 0.215 0.000 0.842 776 D CB -0.097 40.847 40.800 0.240 0.000 0.947 776 D HN 0.609 nan 8.370 nan 0.000 0.509 777 Y N 2.067 122.440 120.300 0.123 0.000 2.114 777 Y HA -0.192 4.351 4.550 -0.012 0.000 0.284 777 Y C 2.072 178.048 175.900 0.126 0.000 1.143 777 Y CA 1.804 59.983 58.100 0.131 0.000 1.135 777 Y CB 0.162 38.661 38.460 0.065 0.000 0.980 777 Y HN -0.122 nan 8.280 nan 0.000 0.499 778 E N 0.096 120.359 120.200 0.105 0.000 2.038 778 E HA -0.258 4.084 4.350 -0.013 0.000 0.195 778 E C 2.156 178.717 176.600 -0.065 0.000 1.000 778 E CA 1.694 58.083 56.400 -0.018 0.000 0.803 778 E CB -0.219 29.567 29.700 0.144 0.000 0.750 778 E HN 0.639 nan 8.360 nan 0.000 0.448 779 E N -0.202 120.035 120.200 0.061 0.000 2.153 779 E HA -0.201 4.142 4.350 -0.013 0.000 0.194 779 E C 1.921 178.499 176.600 -0.036 0.000 0.988 779 E CA 0.758 57.213 56.400 0.092 0.000 0.811 779 E CB -0.126 29.722 29.700 0.247 0.000 0.746 779 E HN 0.277 nan 8.360 nan 0.000 0.466 780 Y N 1.077 121.173 120.300 -0.340 0.000 2.163 780 Y HA -0.196 4.346 4.550 -0.013 0.000 0.288 780 Y C 2.119 177.621 175.900 -0.662 0.000 1.136 780 Y CA 0.930 58.517 58.100 -0.855 0.000 1.147 780 Y CB -0.395 37.615 38.460 -0.750 0.000 0.987 780 Y HN -0.211 nan 8.280 nan 0.000 0.509 781 V N 0.353 119.911 119.914 -0.594 0.000 2.343 781 V HA -0.274 3.838 4.120 -0.013 0.000 0.247 781 V C 2.332 178.189 176.094 -0.395 0.000 1.051 781 V CA 2.210 64.170 62.300 -0.567 0.000 1.036 781 V CB -0.617 30.902 31.823 -0.507 0.000 0.654 781 V HN 0.194 nan 8.190 nan 0.000 0.451 782 K N -0.437 119.797 120.400 -0.278 0.000 2.026 782 K HA -0.189 4.123 4.320 -0.013 0.000 0.208 782 K C 2.263 178.764 176.600 -0.165 0.000 1.048 782 K CA 1.908 58.098 56.287 -0.161 0.000 0.929 782 K CB -0.983 31.470 32.500 -0.078 0.000 0.713 782 K HN 0.537 nan 8.250 nan 0.000 0.439 783 C N 0.781 119.954 119.300 -0.211 0.000 2.429 783 C HA -0.083 4.370 4.460 -0.013 0.000 0.277 783 C C 2.468 177.268 174.990 -0.316 0.000 1.262 783 C CA 0.720 59.640 59.018 -0.164 0.000 1.733 783 C CB -0.736 26.926 27.740 -0.131 0.000 2.010 783 C HN 0.473 nan 8.230 nan 0.000 0.483 784 Q N 0.505 119.979 119.800 -0.543 0.000 2.135 784 Q HA -0.187 4.145 4.340 -0.013 0.000 0.204 784 Q C 1.994 177.793 176.000 -0.335 0.000 0.981 784 Q CA 1.720 57.166 55.803 -0.595 0.000 0.856 784 Q CB -0.436 27.698 28.738 -1.006 0.000 0.902 784 Q HN 0.761 nan 8.270 nan 0.000 0.425 785 E N 0.226 120.286 120.200 -0.233 0.000 2.077 785 E HA -0.155 4.187 4.350 -0.013 0.000 0.193 785 E C 2.092 178.645 176.600 -0.079 0.000 0.989 785 E CA 0.674 57.001 56.400 -0.121 0.000 0.800 785 E CB -0.047 29.602 29.700 -0.085 0.000 0.746 785 E HN 0.275 nan 8.360 nan 0.000 0.452 786 R N 0.424 120.882 120.500 -0.070 0.000 2.115 786 R HA -0.084 4.248 4.340 -0.013 0.000 0.230 786 R C 2.422 178.718 176.300 -0.007 0.000 1.111 786 R CA 0.869 56.991 56.100 0.036 0.000 0.976 786 R CB -0.310 30.082 30.300 0.154 0.000 0.870 786 R HN 0.068 nan 8.270 nan 0.000 0.445 787 V N 0.651 120.362 119.914 -0.337 0.000 2.295 787 V HA -0.249 3.863 4.120 -0.013 0.000 0.246 787 V C 2.209 178.281 176.094 -0.037 0.000 1.049 787 V CA 1.998 64.003 62.300 -0.491 0.000 1.024 787 V CB -0.390 31.028 31.823 -0.674 0.000 0.648 787 V HN 0.285 nan 8.190 nan 0.000 0.447 788 S N 0.111 115.762 115.700 -0.081 0.000 2.370 788 S HA -0.195 4.268 4.470 -0.013 0.000 0.226 788 S C 2.223 176.876 174.600 0.090 0.000 1.033 788 S CA 1.431 59.620 58.200 -0.018 0.000 1.011 788 S CB -0.547 62.618 63.200 -0.058 0.000 0.852 788 S HN 0.656 nan 8.310 nan 0.000 0.457 789 A N 1.454 124.328 122.820 0.091 0.000 1.883 789 A HA -0.052 4.261 4.320 -0.013 0.000 0.217 789 A C 2.107 179.803 177.584 0.187 0.000 1.186 789 A CA 1.225 53.337 52.037 0.126 0.000 0.624 789 A CB -0.767 18.297 19.000 0.107 0.000 0.822 789 A HN 0.463 nan 8.150 nan 0.000 0.444 790 L N -2.112 119.281 121.223 0.284 0.000 2.141 790 L HA -0.146 4.187 4.340 -0.013 0.000 0.209 790 L C 2.457 179.598 176.870 0.450 0.000 1.094 790 L CA 1.746 56.828 54.840 0.404 0.000 0.763 790 L CB -0.410 41.999 42.059 0.582 0.000 0.908 790 L HN 0.614 nan 8.230 nan 0.000 0.437 791 Y N 0.922 121.345 120.300 0.204 0.000 2.352 791 Y HA -0.251 4.292 4.550 -0.012 0.000 0.292 791 Y C 2.419 178.248 175.900 -0.119 0.000 1.136 791 Y CA 1.521 59.489 58.100 -0.219 0.000 1.227 791 Y CB -0.018 38.091 38.460 -0.585 0.000 0.991 791 Y HN 0.052 nan 8.280 nan 0.000 0.545 792 K N -0.036 120.406 120.400 0.070 0.000 2.280 792 K HA -0.162 4.150 4.320 -0.013 0.000 0.202 792 K C 0.375 176.960 176.600 -0.025 0.000 1.047 792 K CA 0.937 57.245 56.287 0.035 0.000 0.942 792 K CB -0.124 32.434 32.500 0.097 0.000 0.739 792 K HN 0.054 nan 8.250 nan 0.000 0.457 793 N N 0.274 118.976 118.700 0.004 0.000 2.936 793 N HA 0.135 4.867 4.740 -0.013 0.000 0.243 793 N C -2.440 173.073 175.510 0.004 0.000 1.149 793 N CA -2.251 50.806 53.050 0.012 0.000 0.914 793 N CB 1.182 39.707 38.487 0.063 0.000 1.179 793 N HN -0.192 nan 8.380 nan 0.000 0.502 794 P HA -0.159 nan 4.420 nan 0.000 0.216 794 P C 1.359 178.671 177.300 0.020 0.000 1.153 794 P CA 1.088 64.117 63.100 -0.117 0.000 0.858 794 P CB 0.398 32.003 31.700 -0.157 0.000 0.789 795 R N -0.015 120.497 120.500 0.020 0.000 2.075 795 R HA -0.132 4.201 4.340 -0.013 0.000 0.232 795 R C 1.881 178.224 176.300 0.071 0.000 1.126 795 R CA 1.303 57.426 56.100 0.039 0.000 0.963 795 R CB -0.282 30.031 30.300 0.022 0.000 0.858 795 R HN 0.082 nan 8.270 nan 0.000 0.435 796 E N -0.137 120.116 120.200 0.088 0.000 2.158 796 E HA -0.196 4.146 4.350 -0.013 0.000 0.191 796 E C 1.559 178.239 176.600 0.134 0.000 0.982 796 E CA 0.470 56.926 56.400 0.094 0.000 0.823 796 E CB -0.369 29.384 29.700 0.088 0.000 0.766 796 E HN 0.493 nan 8.360 nan 0.000 0.468 797 W N 2.208 123.509 121.300 0.000 0.000 2.333 797 W HA -0.205 4.447 4.660 -0.014 0.000 0.316 797 W C 1.604 178.131 176.519 0.013 0.000 1.215 797 W CA 2.170 59.529 57.345 0.023 0.000 1.278 797 W CB -0.398 29.044 29.460 -0.030 0.000 1.154 797 W HN 0.034 nan 8.180 nan 0.000 0.486 798 T N 1.046 115.728 114.554 0.213 0.000 2.821 798 T HA -0.161 4.181 4.350 -0.013 0.000 0.267 798 T C 1.841 176.549 174.700 0.014 0.000 1.046 798 T CA 1.617 63.776 62.100 0.099 0.000 1.139 798 T CB -0.295 68.621 68.868 0.079 0.000 0.871 798 T HN 0.170 nan 8.240 nan 0.000 0.454 799 R N 0.443 120.958 120.500 0.025 0.000 2.081 799 R HA 0.083 4.416 4.340 -0.013 0.000 0.235 799 R C 2.518 178.807 176.300 -0.019 0.000 1.131 799 R CA 1.245 57.358 56.100 0.023 0.000 0.960 799 R CB -0.336 29.984 30.300 0.033 0.000 0.856 799 R HN 0.355 nan 8.270 nan 0.000 0.436 800 M N 0.470 120.022 119.600 -0.078 0.000 2.175 800 M HA -0.154 4.319 4.480 -0.013 0.000 0.264 800 M C 1.958 178.160 176.300 -0.164 0.000 1.063 800 M CA 1.404 56.618 55.300 -0.143 0.000 1.119 800 M CB 0.137 32.596 32.600 -0.234 0.000 1.377 800 M HN -0.003 nan 8.290 nan 0.000 0.415 801 V N 0.947 120.739 119.914 -0.203 0.000 2.287 801 V HA -0.330 3.782 4.120 -0.013 0.000 0.248 801 V C 2.201 178.271 176.094 -0.040 0.000 1.053 801 V CA 2.149 64.363 62.300 -0.144 0.000 1.027 801 V CB -0.651 31.109 31.823 -0.105 0.000 0.646 801 V HN 0.511 nan 8.190 nan 0.000 0.447 802 I N -0.707 119.864 120.570 0.002 0.000 2.264 802 I HA -0.255 3.908 4.170 -0.013 0.000 0.248 802 I C 2.707 178.871 176.117 0.078 0.000 1.111 802 I CA 1.553 62.904 61.300 0.084 0.000 1.382 802 I CB -0.420 37.686 38.000 0.177 0.000 1.060 802 I HN 0.198 nan 8.210 nan 0.000 0.418 803 R N 0.436 120.959 120.500 0.039 0.000 2.120 803 R HA -0.121 4.211 4.340 -0.013 0.000 0.234 803 R C 2.056 178.384 176.300 0.047 0.000 1.123 803 R CA 1.221 57.343 56.100 0.036 0.000 0.975 803 R CB -0.392 29.914 30.300 0.010 0.000 0.866 803 R HN 0.536 nan 8.270 nan 0.000 0.446 804 N N 0.589 119.308 118.700 0.032 0.000 2.109 804 N HA -0.100 4.632 4.740 -0.013 0.000 0.188 804 N C 1.965 177.528 175.510 0.088 0.000 1.034 804 N CA 1.141 54.231 53.050 0.067 0.000 0.846 804 N CB -0.066 38.429 38.487 0.012 0.000 1.010 804 N HN 0.122 nan 8.380 nan 0.000 0.425 805 I N 1.622 122.233 120.570 0.067 0.000 2.208 805 I HA -0.253 3.909 4.170 -0.013 0.000 0.245 805 I C 2.457 178.619 176.117 0.075 0.000 1.097 805 I CA 0.918 62.262 61.300 0.074 0.000 1.363 805 I CB -0.314 37.723 38.000 0.063 0.000 1.051 805 I HN 0.111 nan 8.210 nan 0.000 0.413 806 A N 0.310 123.174 122.820 0.074 0.000 2.015 806 A HA -0.164 4.149 4.320 -0.013 0.000 0.219 806 A C 2.116 179.734 177.584 0.055 0.000 1.163 806 A CA 2.061 54.133 52.037 0.057 0.000 0.646 806 A CB -0.835 18.203 19.000 0.062 0.000 0.806 806 A HN 0.533 nan 8.150 nan 0.000 0.448 807 T N -2.834 111.768 114.554 0.079 0.000 3.134 807 T HA 0.171 4.513 4.350 -0.013 0.000 0.260 807 T C 1.193 175.979 174.700 0.142 0.000 1.027 807 T CA 0.652 62.803 62.100 0.085 0.000 0.913 807 T CB -0.169 68.751 68.868 0.086 0.000 1.046 807 T HN 0.486 nan 8.240 nan 0.000 0.553 808 S N 0.253 116.054 115.700 0.168 0.000 2.603 808 S HA 0.225 4.687 4.470 -0.013 0.000 0.220 808 S C 2.206 176.925 174.600 0.198 0.000 0.967 808 S CA 0.289 58.657 58.200 0.281 0.000 0.920 808 S CB -0.688 62.654 63.200 0.237 0.000 0.773 808 S HN 0.529 nan 8.310 nan 0.000 0.529 809 G N 2.629 111.470 108.800 0.067 0.000 2.469 809 G HA2 -0.287 3.666 3.960 -0.013 0.000 0.220 809 G HA3 -0.287 3.666 3.960 -0.013 0.000 0.220 809 G C 1.318 176.162 174.900 -0.092 0.000 1.136 809 G CA 1.015 46.122 45.100 0.011 0.000 0.759 809 G HN 0.613 nan 8.290 nan 0.000 0.562 810 K N -0.192 120.030 120.400 -0.296 0.000 2.281 810 K HA -0.045 4.267 4.320 -0.013 0.000 0.203 810 K C 1.247 177.520 176.600 -0.545 0.000 1.046 810 K CA 0.850 56.817 56.287 -0.534 0.000 0.938 810 K CB -0.265 31.728 32.500 -0.845 0.000 0.737 810 K HN 0.432 nan 8.250 nan 0.000 0.458 811 F N 0.595 120.575 119.950 0.050 0.000 2.660 811 F HA 0.152 4.671 4.527 -0.013 0.000 0.302 811 F C 0.766 176.612 175.800 0.077 0.000 1.103 811 F CA -0.682 57.355 58.000 0.061 0.000 1.340 811 F CB 0.544 39.577 39.000 0.055 0.000 1.048 811 F HN -0.125 nan 8.300 nan 0.000 0.551 812 S N 0.492 116.283 115.700 0.150 0.000 2.531 812 S HA 0.031 4.493 4.470 -0.013 0.000 0.279 812 S C 1.486 176.170 174.600 0.141 0.000 1.305 812 S CA -0.104 58.178 58.200 0.136 0.000 1.058 812 S CB 0.748 63.997 63.200 0.082 0.000 0.899 812 S HN 0.373 nan 8.310 nan 0.000 0.493 813 S N 3.362 119.171 115.700 0.181 0.000 2.500 813 S HA -0.095 4.368 4.470 -0.013 0.000 0.239 813 S C 0.983 175.638 174.600 0.092 0.000 0.989 813 S CA 0.830 59.155 58.200 0.208 0.000 0.951 813 S CB -0.356 63.042 63.200 0.330 0.000 0.759 813 S HN 0.794 nan 8.310 nan 0.000 0.523 814 D N 1.893 122.332 120.400 0.065 0.000 2.117 814 D HA -0.085 4.547 4.640 -0.013 0.000 0.197 814 D C 2.107 178.413 176.300 0.010 0.000 0.987 814 D CA 0.813 54.828 54.000 0.026 0.000 0.829 814 D CB -0.345 40.467 40.800 0.020 0.000 0.961 814 D HN 0.301 nan 8.370 nan 0.000 0.460 815 R N 0.776 121.285 120.500 0.014 0.000 2.070 815 R HA -0.099 4.233 4.340 -0.013 0.000 0.233 815 R C 1.930 178.225 176.300 -0.009 0.000 1.137 815 R CA 1.519 57.613 56.100 -0.009 0.000 0.945 815 R CB -0.818 29.464 30.300 -0.030 0.000 0.845 815 R HN 0.130 nan 8.270 nan 0.000 0.430 816 T N 2.249 116.821 114.554 0.031 0.000 2.635 816 T HA -0.147 4.195 4.350 -0.013 0.000 0.267 816 T C 1.933 176.641 174.700 0.013 0.000 1.040 816 T CA 1.502 63.638 62.100 0.060 0.000 1.156 816 T CB -0.156 68.827 68.868 0.191 0.000 0.863 816 T HN 0.124 nan 8.240 nan 0.000 0.430 817 I N 1.578 122.082 120.570 -0.111 0.000 2.315 817 I HA -0.082 4.080 4.170 -0.013 0.000 0.248 817 I C 2.913 178.989 176.117 -0.068 0.000 1.117 817 I CA 0.930 62.126 61.300 -0.173 0.000 1.404 817 I CB -1.584 36.304 38.000 -0.187 0.000 1.071 817 I HN 0.203 nan 8.210 nan 0.000 0.419 818 A N 0.171 122.968 122.820 -0.039 0.000 1.933 818 A HA -0.235 4.078 4.320 -0.013 0.000 0.218 818 A C 2.247 179.789 177.584 -0.070 0.000 1.175 818 A CA 1.428 53.447 52.037 -0.029 0.000 0.628 818 A CB -0.505 18.484 19.000 -0.019 0.000 0.814 818 A HN 0.509 nan 8.150 nan 0.000 0.444 819 Q N -1.875 117.864 119.800 -0.102 0.000 2.083 819 Q HA -0.143 4.189 4.340 -0.013 0.000 0.198 819 Q C 1.920 177.746 176.000 -0.290 0.000 0.969 819 Q CA 1.518 57.219 55.803 -0.170 0.000 0.838 819 Q CB -0.308 28.320 28.738 -0.184 0.000 0.900 819 Q HN 0.809 nan 8.270 nan 0.000 0.436 820 Y N 0.740 120.752 120.300 -0.480 0.000 2.114 820 Y HA -0.321 4.221 4.550 -0.013 0.000 0.282 820 Y C 2.486 177.810 175.900 -0.959 0.000 1.165 820 Y CA 1.367 58.923 58.100 -0.906 0.000 1.148 820 Y CB -0.487 37.121 38.460 -1.420 0.000 0.972 820 Y HN 0.171 nan 8.280 nan 0.000 0.504 821 A N 0.203 122.792 122.820 -0.385 0.000 1.865 821 A HA -0.229 4.084 4.320 -0.013 0.000 0.217 821 A C 2.250 179.841 177.584 0.011 0.000 1.191 821 A CA 2.087 54.138 52.037 0.024 0.000 0.623 821 A CB -0.594 18.498 19.000 0.154 0.000 0.826 821 A HN 0.430 nan 8.150 nan 0.000 0.444 822 R N -0.800 119.670 120.500 -0.049 0.000 2.093 822 R HA -0.030 4.302 4.340 -0.013 0.000 0.224 822 R C 1.877 178.151 176.300 -0.043 0.000 1.101 822 R CA 1.489 57.574 56.100 -0.026 0.000 0.979 822 R CB -0.162 30.120 30.300 -0.031 0.000 0.877 822 R HN 0.657 nan 8.270 nan 0.000 0.441 823 E N -0.554 119.579 120.200 -0.111 0.000 2.415 823 E HA 0.082 4.425 4.350 -0.013 0.000 0.197 823 E C 1.402 177.953 176.600 -0.082 0.000 1.007 823 E CA 0.443 56.783 56.400 -0.099 0.000 0.890 823 E CB 0.534 30.149 29.700 -0.141 0.000 0.891 823 E HN 0.286 nan 8.360 nan 0.000 0.496 824 I N -1.189 119.296 120.570 -0.142 0.000 3.570 824 I HA 0.019 4.181 4.170 -0.013 0.000 0.270 824 I C 1.301 177.549 176.117 0.218 0.000 1.162 824 I CA -0.067 61.209 61.300 -0.040 0.000 1.413 824 I CB 0.216 38.058 38.000 -0.263 0.000 1.437 824 I HN 0.115 nan 8.210 nan 0.000 0.457 825 W N 1.508 122.902 121.300 0.157 0.000 2.658 825 W HA 0.326 4.979 4.660 -0.013 0.000 0.263 825 W C 1.454 178.011 176.519 0.065 0.000 1.274 825 W CA 0.812 58.232 57.345 0.125 0.000 1.343 825 W CB -1.092 28.430 29.460 0.104 0.000 1.106 825 W HN 0.319 nan 8.180 nan 0.000 0.615 826 G N 1.221 110.160 108.800 0.232 0.000 2.256 826 G HA2 -0.095 3.858 3.960 -0.013 0.000 0.272 826 G HA3 -0.095 3.858 3.960 -0.013 0.000 0.272 826 G C -0.363 174.609 174.900 0.120 0.000 1.076 826 G CA 0.214 45.392 45.100 0.129 0.000 0.882 826 G HN 0.419 nan 8.290 nan 0.000 0.497 827 V N -4.186 115.818 119.914 0.149 0.000 2.925 827 V HA 0.889 5.001 4.120 -0.013 0.000 0.311 827 V C -0.335 175.818 176.094 0.098 0.000 1.104 827 V CA -1.725 60.645 62.300 0.117 0.000 0.954 827 V CB 2.317 34.220 31.823 0.133 0.000 1.022 827 V HN 0.139 nan 8.190 nan 0.000 0.427 828 E N 3.210 123.451 120.200 0.068 0.000 2.200 828 E HA 0.516 4.858 4.350 -0.013 0.000 0.283 828 E C -2.525 174.111 176.600 0.059 0.000 1.015 828 E CA -1.730 54.703 56.400 0.055 0.000 0.819 828 E CB 1.609 31.333 29.700 0.040 0.000 1.081 828 E HN 0.684 nan 8.360 nan 0.000 0.397 829 P HA 0.071 nan 4.420 nan 0.000 0.269 829 P C -0.652 176.675 177.300 0.046 0.000 1.215 829 P CA -0.173 62.959 63.100 0.054 0.000 0.780 829 P CB 0.693 32.419 31.700 0.044 0.000 0.898 830 S N 1.309 117.038 115.700 0.049 0.000 2.614 830 S HA 0.320 4.782 4.470 -0.013 0.000 0.288 830 S C 0.463 175.087 174.600 0.040 0.000 1.137 830 S CA -0.720 57.508 58.200 0.045 0.000 0.992 830 S CB 0.702 63.935 63.200 0.056 0.000 1.026 830 S HN 0.220 nan 8.310 nan 0.000 0.486 831 R N 2.452 122.971 120.500 0.033 0.000 2.317 831 R HA 0.184 4.516 4.340 -0.013 0.000 0.208 831 R C 0.099 176.412 176.300 0.021 0.000 0.914 831 R CA 0.110 56.227 56.100 0.030 0.000 1.060 831 R CB 0.079 30.396 30.300 0.029 0.000 1.015 831 R HN 0.694 nan 8.270 nan 0.000 0.498 832 Q N 1.085 120.897 119.800 0.019 0.000 2.332 832 Q HA 0.096 4.428 4.340 -0.013 0.000 0.263 832 Q C -0.273 175.722 176.000 -0.008 0.000 0.979 832 Q CA 0.115 55.922 55.803 0.007 0.000 0.885 832 Q CB 0.849 29.594 28.738 0.012 0.000 1.218 832 Q HN -0.192 nan 8.270 nan 0.000 0.405 833 R N 1.357 121.844 120.500 -0.023 0.000 2.594 833 R HA 0.234 4.567 4.340 -0.013 0.000 0.272 833 R C -0.326 175.934 176.300 -0.067 0.000 1.074 833 R CA -0.011 56.063 56.100 -0.043 0.000 1.105 833 R CB 0.354 30.627 30.300 -0.045 0.000 1.008 833 R HN 0.479 nan 8.270 nan 0.000 0.472 834 L N 4.600 125.766 121.223 -0.095 0.000 2.399 834 L HA 0.393 4.725 4.340 -0.013 0.000 0.266 834 L C -1.710 175.102 176.870 -0.096 0.000 1.114 834 L CA -2.085 52.671 54.840 -0.140 0.000 0.804 834 L CB 0.983 42.925 42.059 -0.195 0.000 1.146 834 L HN 0.439 nan 8.230 nan 0.000 0.451 835 P HA 0.065 nan 4.420 nan 0.000 0.268 835 P C -0.595 176.675 177.300 -0.049 0.000 1.204 835 P CA -0.234 62.831 63.100 -0.057 0.000 0.768 835 P CB 0.798 32.470 31.700 -0.046 0.000 0.842 836 A N 0.000 122.799 122.820 -0.036 0.000 2.254 836 A HA 0.000 4.312 4.320 -0.013 0.000 0.244 836 A CA 0.000 52.022 52.037 -0.026 0.000 0.836 836 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486