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 3ebo_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.983 176.000 -0.028 0.000 1.003 12 Q CA 0.000 55.773 55.803 -0.050 0.000 1.022 12 Q CB 0.000 28.706 28.738 -0.053 0.000 1.108 13 I N -0.838 119.721 120.570 -0.018 0.000 2.562 13 I HA 0.585 4.747 4.170 -0.013 0.000 0.301 13 I C 0.927 177.044 176.117 0.000 0.000 1.003 13 I CA -0.394 60.904 61.300 -0.005 0.000 1.127 13 I CB 1.939 39.941 38.000 0.004 0.000 1.304 13 I HN 0.132 nan 8.210 nan 0.000 0.446 14 S N 3.004 118.710 115.700 0.009 0.000 2.359 14 S HA -0.151 4.312 4.470 -0.013 0.000 0.224 14 S C 1.741 176.351 174.600 0.017 0.000 1.035 14 S CA 2.015 60.222 58.200 0.012 0.000 1.018 14 S CB -0.497 62.715 63.200 0.021 0.000 0.876 14 S HN 0.750 nan 8.310 nan 0.000 0.448 15 V N -0.118 119.813 119.914 0.028 0.000 3.078 15 V HA 0.121 4.234 4.120 -0.013 0.000 0.265 15 V C 1.951 178.060 176.094 0.025 0.000 1.122 15 V CA 1.314 63.635 62.300 0.034 0.000 1.141 15 V CB -0.972 30.879 31.823 0.047 0.000 0.735 15 V HN 0.360 nan 8.190 nan 0.000 0.498 16 R N 1.230 121.736 120.500 0.010 0.000 2.313 16 R HA 0.417 4.750 4.340 -0.013 0.000 0.199 16 R C 1.151 177.442 176.300 -0.015 0.000 0.958 16 R CA 0.589 56.688 56.100 -0.002 0.000 1.047 16 R CB -0.068 30.227 30.300 -0.008 0.000 0.955 16 R HN 0.776 nan 8.270 nan 0.000 0.481 17 G N 0.548 109.339 108.800 -0.015 0.000 2.685 17 G HA2 -0.206 3.746 3.960 -0.013 0.000 0.387 17 G HA3 -0.206 3.746 3.960 -0.013 0.000 0.387 17 G C -1.044 173.840 174.900 -0.027 0.000 1.324 17 G CA -1.076 44.007 45.100 -0.028 0.000 0.878 17 G HN -0.030 nan 8.290 nan 0.000 0.527 18 L N 0.384 121.588 121.223 -0.031 0.000 2.357 18 L HA 0.720 5.053 4.340 -0.013 0.000 0.273 18 L C 1.133 177.986 176.870 -0.028 0.000 1.080 18 L CA 0.103 54.927 54.840 -0.026 0.000 0.803 18 L CB 1.092 43.137 42.059 -0.023 0.000 1.174 18 L HN 1.565 nan 8.230 nan 0.000 0.443 19 A N 2.233 125.038 122.820 -0.025 0.000 2.937 19 A HA 0.617 4.929 4.320 -0.013 0.000 0.338 19 A C 0.615 178.190 177.584 -0.015 0.000 1.273 19 A CA -0.346 51.678 52.037 -0.022 0.000 0.937 19 A CB -0.229 18.754 19.000 -0.028 0.000 1.133 19 A HN 0.789 nan 8.150 nan 0.000 0.491 20 G N -0.011 108.783 108.800 -0.011 0.000 2.527 20 G HA2 0.382 4.334 3.960 -0.013 0.000 0.248 20 G HA3 0.382 4.334 3.960 -0.013 0.000 0.248 20 G C 0.978 175.880 174.900 0.003 0.000 1.231 20 G CA -0.084 45.014 45.100 -0.004 0.000 0.838 20 G HN 0.465 nan 8.290 nan 0.000 0.570 21 V N 1.398 121.314 119.914 0.005 0.000 2.287 21 V HA -0.171 3.942 4.120 -0.013 0.000 0.248 21 V C 2.695 178.798 176.094 0.015 0.000 1.053 21 V CA 2.356 64.662 62.300 0.009 0.000 1.027 21 V CB -0.685 31.143 31.823 0.008 0.000 0.646 21 V HN 0.768 nan 8.190 nan 0.000 0.447 22 E N 0.447 120.656 120.200 0.016 0.000 2.077 22 E HA -0.189 4.154 4.350 -0.013 0.000 0.193 22 E C 2.082 178.703 176.600 0.034 0.000 0.989 22 E CA 1.558 57.972 56.400 0.023 0.000 0.800 22 E CB -0.298 29.415 29.700 0.022 0.000 0.746 22 E HN 0.607 nan 8.360 nan 0.000 0.452 23 N N -0.849 117.869 118.700 0.031 0.000 2.084 23 N HA -0.133 4.600 4.740 -0.013 0.000 0.190 23 N C 1.631 177.168 175.510 0.045 0.000 1.030 23 N CA 1.247 54.322 53.050 0.042 0.000 0.849 23 N CB -0.159 38.339 38.487 0.019 0.000 1.012 23 N HN -0.016 nan 8.380 nan 0.000 0.423 24 V N 0.245 120.176 119.914 0.028 0.000 2.343 24 V HA -0.235 3.877 4.120 -0.013 0.000 0.247 24 V C 2.034 178.149 176.094 0.036 0.000 1.051 24 V CA 1.921 64.237 62.300 0.026 0.000 1.036 24 V CB -0.964 30.867 31.823 0.014 0.000 0.654 24 V HN 0.413 nan 8.190 nan 0.000 0.451 25 T N -0.506 114.069 114.554 0.036 0.000 2.746 25 T HA -0.229 4.113 4.350 -0.013 0.000 0.267 25 T C 1.928 176.663 174.700 0.058 0.000 1.039 25 T CA 1.834 63.957 62.100 0.039 0.000 1.142 25 T CB -0.205 68.682 68.868 0.031 0.000 0.866 25 T HN 0.500 nan 8.240 nan 0.000 0.444 26 E N 0.918 121.158 120.200 0.068 0.000 2.106 26 E HA -0.002 4.341 4.350 -0.013 0.000 0.192 26 E C 2.028 178.705 176.600 0.130 0.000 0.984 26 E CA 0.840 57.293 56.400 0.089 0.000 0.806 26 E CB -0.494 29.262 29.700 0.093 0.000 0.750 26 E HN 0.440 nan 8.360 nan 0.000 0.458 27 L N 0.131 121.438 121.223 0.139 0.000 2.046 27 L HA -0.165 4.168 4.340 -0.013 0.000 0.208 27 L C 2.441 179.420 176.870 0.183 0.000 1.077 27 L CA 1.433 56.380 54.840 0.177 0.000 0.747 27 L CB -0.304 41.832 42.059 0.127 0.000 0.896 27 L HN 0.066 nan 8.230 nan 0.000 0.432 28 K N 0.459 120.927 120.400 0.113 0.000 2.057 28 K HA -0.217 4.095 4.320 -0.013 0.000 0.207 28 K C 2.126 178.832 176.600 0.176 0.000 1.049 28 K CA 1.800 58.146 56.287 0.099 0.000 0.931 28 K CB -0.083 32.437 32.500 0.033 0.000 0.714 28 K HN 0.378 nan 8.250 nan 0.000 0.440 29 K N 0.206 120.690 120.400 0.139 0.000 2.103 29 K HA -0.046 4.267 4.320 -0.013 0.000 0.204 29 K C 1.570 178.261 176.600 0.151 0.000 1.052 29 K CA 1.333 57.697 56.287 0.127 0.000 0.945 29 K CB -0.099 32.448 32.500 0.079 0.000 0.722 29 K HN -0.003 nan 8.250 nan 0.000 0.443 30 N N 0.433 119.236 118.700 0.171 0.000 2.270 30 N HA -0.104 4.628 4.740 -0.013 0.000 0.181 30 N C 1.578 177.253 175.510 0.275 0.000 1.016 30 N CA 0.891 54.041 53.050 0.166 0.000 0.870 30 N CB -0.238 38.357 38.487 0.179 0.000 0.979 30 N HN 0.215 nan 8.380 nan 0.000 0.431 31 F N 2.598 122.657 119.950 0.181 0.000 2.102 31 F HA -0.120 4.399 4.527 -0.012 0.000 0.298 31 F C 1.981 177.894 175.800 0.190 0.000 1.105 31 F CA 1.312 59.432 58.000 0.201 0.000 1.239 31 F CB -0.136 38.954 39.000 0.149 0.000 0.991 31 F HN -0.042 nan 8.300 nan 0.000 0.474 32 N N 0.455 119.389 118.700 0.390 0.000 2.188 32 N HA -0.175 4.557 4.740 -0.013 0.000 0.184 32 N C 2.005 177.605 175.510 0.151 0.000 1.018 32 N CA 1.105 54.306 53.050 0.252 0.000 0.858 32 N CB -0.547 38.073 38.487 0.221 0.000 0.989 32 N HN 0.378 nan 8.380 nan 0.000 0.426 33 R N 0.190 120.778 120.500 0.146 0.000 2.073 33 R HA -0.092 4.240 4.340 -0.013 0.000 0.234 33 R C 1.758 178.148 176.300 0.150 0.000 1.134 33 R CA 1.457 57.667 56.100 0.184 0.000 0.952 33 R CB -0.193 30.131 30.300 0.039 0.000 0.850 33 R HN 0.378 nan 8.270 nan 0.000 0.433 34 H N -0.404 118.712 119.070 0.076 0.000 2.389 34 H HA -0.113 4.435 4.556 -0.013 0.000 0.299 34 H C 1.859 177.127 175.328 -0.100 0.000 1.081 34 H CA 1.412 57.438 56.048 -0.036 0.000 1.345 34 H CB 0.082 29.786 29.762 -0.096 0.000 1.393 34 H HN 0.120 nan 8.280 nan 0.000 0.520 35 L N -0.044 121.164 121.223 -0.025 0.000 2.079 35 L HA -0.197 4.136 4.340 -0.013 0.000 0.210 35 L C 2.172 179.015 176.870 -0.045 0.000 1.081 35 L CA 1.880 56.671 54.840 -0.082 0.000 0.752 35 L CB -0.416 41.595 42.059 -0.079 0.000 0.896 35 L HN 0.313 nan 8.230 nan 0.000 0.433 36 H N -1.893 117.101 119.070 -0.127 0.000 2.287 36 H HA -0.037 4.512 4.556 -0.013 0.000 0.309 36 H C 1.771 176.896 175.328 -0.338 0.000 1.059 36 H CA 2.177 58.052 56.048 -0.289 0.000 1.357 36 H CB -0.216 29.275 29.762 -0.451 0.000 1.409 36 H HN 0.288 nan 8.280 nan 0.000 0.515 37 F N -0.563 119.380 119.950 -0.012 0.000 2.335 37 F HA 0.015 4.535 4.527 -0.013 0.000 0.296 37 F C 2.511 178.239 175.800 -0.121 0.000 1.091 37 F CA 1.248 59.200 58.000 -0.080 0.000 1.399 37 F CB -0.231 38.751 39.000 -0.029 0.000 1.067 37 F HN 0.167 nan 8.300 nan 0.000 0.520 38 T N -0.018 114.567 114.554 0.052 0.000 2.901 38 T HA 0.083 4.426 4.350 -0.013 0.000 0.252 38 T C 1.939 176.547 174.700 -0.153 0.000 1.035 38 T CA 0.831 62.888 62.100 -0.072 0.000 1.142 38 T CB -0.246 68.550 68.868 -0.121 0.000 0.869 38 T HN 0.109 nan 8.240 nan 0.000 0.442 39 L N 1.210 122.343 121.223 -0.150 0.000 2.529 39 L HA 0.211 4.543 4.340 -0.013 0.000 0.223 39 L C 0.336 177.107 176.870 -0.164 0.000 1.113 39 L CA -0.078 54.663 54.840 -0.166 0.000 0.861 39 L CB -0.066 41.904 42.059 -0.149 0.000 1.012 39 L HN -0.011 nan 8.230 nan 0.000 0.461 40 V N 0.717 120.517 119.914 -0.190 0.000 5.949 40 V HA -0.272 3.841 4.120 -0.013 0.000 0.287 40 V C -0.086 175.886 176.094 -0.204 0.000 0.603 40 V CA 1.119 63.276 62.300 -0.239 0.000 0.608 40 V CB -2.192 29.519 31.823 -0.187 0.000 0.259 40 V HN 0.435 nan 8.190 nan 0.000 0.742 41 K N 1.203 121.484 120.400 -0.197 0.000 2.480 41 K HA 0.723 5.036 4.320 -0.013 0.000 0.258 41 K C -0.566 175.980 176.600 -0.089 0.000 0.990 41 K CA -0.561 55.645 56.287 -0.135 0.000 0.857 41 K CB 2.869 35.293 32.500 -0.126 0.000 1.384 41 K HN 0.513 nan 8.250 nan 0.000 0.446 42 D N -0.310 120.067 120.400 -0.040 0.000 2.450 42 D HA 0.302 4.935 4.640 -0.013 0.000 0.238 42 D C 0.625 176.953 176.300 0.046 0.000 1.020 42 D CA -0.628 53.388 54.000 0.027 0.000 1.010 42 D CB 1.056 41.878 40.800 0.037 0.000 1.342 42 D HN 0.117 nan 8.370 nan 0.000 0.530 43 R N 0.055 120.617 120.500 0.103 0.000 2.200 43 R HA -0.053 4.280 4.340 -0.013 0.000 0.234 43 R C 1.025 177.397 176.300 0.120 0.000 1.127 43 R CA 0.658 56.858 56.100 0.165 0.000 0.989 43 R CB -0.694 29.712 30.300 0.178 0.000 0.869 43 R HN 0.514 nan 8.270 nan 0.000 0.459 44 N N 0.164 118.903 118.700 0.066 0.000 2.354 44 N HA -0.085 4.648 4.740 -0.013 0.000 0.179 44 N C 1.590 177.118 175.510 0.029 0.000 1.021 44 N CA 1.318 54.396 53.050 0.047 0.000 0.887 44 N CB 0.259 38.763 38.487 0.030 0.000 0.974 44 N HN 0.244 nan 8.380 nan 0.000 0.437 45 V N -3.302 116.616 119.914 0.006 0.000 3.432 45 V HA 0.543 4.656 4.120 -0.013 0.000 0.298 45 V C 0.714 176.775 176.094 -0.055 0.000 1.464 45 V CA -0.560 61.730 62.300 -0.017 0.000 1.046 45 V CB -0.282 31.526 31.823 -0.026 0.000 0.887 45 V HN 0.042 nan 8.190 nan 0.000 0.441 46 A N 2.226 124.989 122.820 -0.094 0.000 2.477 46 A HA 0.591 4.903 4.320 -0.013 0.000 0.246 46 A C 0.734 178.147 177.584 -0.285 0.000 1.078 46 A CA 0.785 52.656 52.037 -0.277 0.000 0.770 46 A CB -0.090 18.609 19.000 -0.502 0.000 1.011 46 A HN 0.831 nan 8.150 nan 0.000 0.494 47 T N 0.250 114.637 114.554 -0.278 0.000 2.936 47 T HA 0.566 4.909 4.350 -0.013 0.000 0.282 47 T C -2.078 172.558 174.700 -0.107 0.000 1.003 47 T CA -1.799 60.230 62.100 -0.117 0.000 1.005 47 T CB 1.214 70.058 68.868 -0.040 0.000 1.097 47 T HN 0.253 nan 8.240 nan 0.000 0.532 48 P HA -0.152 nan 4.420 nan 0.000 0.217 48 P C 1.617 179.035 177.300 0.196 0.000 1.151 48 P CA 1.128 64.379 63.100 0.252 0.000 0.849 48 P CB 0.041 31.839 31.700 0.164 0.000 0.787 49 R N -0.096 120.464 120.500 0.099 0.000 2.081 49 R HA -0.149 4.183 4.340 -0.013 0.000 0.235 49 R C 1.739 178.202 176.300 0.272 0.000 1.131 49 R CA 1.857 58.047 56.100 0.150 0.000 0.960 49 R CB -0.700 29.626 30.300 0.043 0.000 0.856 49 R HN 0.110 nan 8.270 nan 0.000 0.436 50 D N -0.349 120.098 120.400 0.079 0.000 2.123 50 D HA -0.198 4.435 4.640 -0.013 0.000 0.196 50 D C 1.761 178.077 176.300 0.026 0.000 0.992 50 D CA 1.366 55.365 54.000 -0.002 0.000 0.833 50 D CB -0.328 40.325 40.800 -0.246 0.000 0.954 50 D HN 0.313 nan 8.370 nan 0.000 0.455 51 Y N 0.121 120.527 120.300 0.177 0.000 2.181 51 Y HA -0.209 4.334 4.550 -0.012 0.000 0.288 51 Y C 2.335 178.375 175.900 0.233 0.000 1.146 51 Y CA 0.380 58.626 58.100 0.244 0.000 1.164 51 Y CB -1.169 37.488 38.460 0.328 0.000 0.982 51 Y HN 0.083 nan 8.280 nan 0.000 0.515 52 Y N -0.381 120.060 120.300 0.235 0.000 2.081 52 Y HA -0.316 4.226 4.550 -0.013 0.000 0.280 52 Y C 2.025 177.902 175.900 -0.039 0.000 1.163 52 Y CA 1.434 59.567 58.100 0.055 0.000 1.135 52 Y CB -1.186 37.204 38.460 -0.116 0.000 0.970 52 Y HN 0.058 nan 8.280 nan 0.000 0.498 53 F N 0.169 119.902 119.950 -0.361 0.000 2.171 53 F HA -0.156 4.363 4.527 -0.012 0.000 0.300 53 F C 2.636 178.275 175.800 -0.269 0.000 1.090 53 F CA 1.277 59.001 58.000 -0.461 0.000 1.293 53 F CB -0.774 38.141 39.000 -0.141 0.000 1.013 53 F HN 0.218 nan 8.300 nan 0.000 0.486 54 A N -0.226 122.555 122.820 -0.066 0.000 1.902 54 A HA -0.174 4.139 4.320 -0.013 0.000 0.217 54 A C 2.045 179.515 177.584 -0.189 0.000 1.181 54 A CA 1.512 53.388 52.037 -0.268 0.000 0.623 54 A CB -0.964 17.553 19.000 -0.805 0.000 0.818 54 A HN 0.343 nan 8.150 nan 0.000 0.443 55 L N -0.240 120.985 121.223 0.004 0.000 2.027 55 L HA -0.002 4.330 4.340 -0.013 0.000 0.206 55 L C 2.670 179.524 176.870 -0.028 0.000 1.074 55 L CA 2.135 57.094 54.840 0.198 0.000 0.745 55 L CB -0.953 41.292 42.059 0.309 0.000 0.898 55 L HN 0.338 nan 8.230 nan 0.000 0.433 56 A N -1.149 121.473 122.820 -0.330 0.000 1.883 56 A HA -0.292 4.021 4.320 -0.013 0.000 0.217 56 A C 2.144 179.366 177.584 -0.604 0.000 1.186 56 A CA 2.080 53.787 52.037 -0.550 0.000 0.624 56 A CB -1.137 17.195 19.000 -1.113 0.000 0.822 56 A HN 0.687 nan 8.150 nan 0.000 0.444 57 H N -0.862 117.897 119.070 -0.518 0.000 2.387 57 H HA -0.061 4.488 4.556 -0.012 0.000 0.299 57 H C 2.345 177.394 175.328 -0.466 0.000 1.090 57 H CA 1.921 57.590 56.048 -0.633 0.000 1.332 57 H CB -0.169 28.977 29.762 -1.028 0.000 1.386 57 H HN 0.467 nan 8.280 nan 0.000 0.516 58 T N -0.247 114.246 114.554 -0.103 0.000 2.708 58 T HA -0.133 4.209 4.350 -0.013 0.000 0.266 58 T C 2.252 177.116 174.700 0.274 0.000 1.037 58 T CA 1.365 63.589 62.100 0.207 0.000 1.146 58 T CB -0.363 68.695 68.868 0.317 0.000 0.865 58 T HN 0.100 nan 8.240 nan 0.000 0.435 59 V N 1.550 121.592 119.914 0.213 0.000 2.358 59 V HA -0.105 4.007 4.120 -0.013 0.000 0.246 59 V C 2.615 178.891 176.094 0.303 0.000 1.047 59 V CA 1.494 63.960 62.300 0.276 0.000 1.035 59 V CB -0.641 31.334 31.823 0.254 0.000 0.658 59 V HN 0.368 nan 8.190 nan 0.000 0.452 60 R N 0.287 120.918 120.500 0.220 0.000 2.105 60 R HA -0.232 4.101 4.340 -0.013 0.000 0.239 60 R C 1.977 178.388 176.300 0.186 0.000 1.135 60 R CA 2.146 58.375 56.100 0.214 0.000 0.967 60 R CB -0.472 29.813 30.300 -0.025 0.000 0.861 60 R HN 0.478 nan 8.270 nan 0.000 0.442 61 D N -0.064 120.431 120.400 0.157 0.000 2.133 61 D HA -0.193 4.440 4.640 -0.013 0.000 0.195 61 D C 1.796 178.122 176.300 0.044 0.000 0.997 61 D CA 1.271 55.333 54.000 0.103 0.000 0.840 61 D CB -0.480 40.368 40.800 0.081 0.000 0.947 61 D HN 0.480 nan 8.370 nan 0.000 0.452 62 H N -0.270 118.866 119.070 0.109 0.000 2.491 62 H HA 0.015 4.563 4.556 -0.012 0.000 0.290 62 H C 2.319 177.690 175.328 0.072 0.000 1.050 62 H CA 0.393 56.489 56.048 0.080 0.000 1.309 62 H CB 0.190 29.991 29.762 0.065 0.000 1.392 62 H HN 0.200 nan 8.280 nan 0.000 0.554 63 L N 0.574 121.912 121.223 0.192 0.000 2.072 63 L HA -0.126 4.207 4.340 -0.013 0.000 0.205 63 L C 2.805 179.788 176.870 0.189 0.000 1.079 63 L CA 0.695 55.614 54.840 0.131 0.000 0.752 63 L CB -0.209 41.897 42.059 0.078 0.000 0.906 63 L HN 0.131 nan 8.230 nan 0.000 0.436 64 V N -2.692 117.357 119.914 0.226 0.000 2.407 64 V HA -0.096 4.017 4.120 -0.013 0.000 0.248 64 V C 2.326 178.537 176.094 0.194 0.000 1.055 64 V CA 1.837 64.312 62.300 0.292 0.000 1.049 64 V CB -1.750 30.210 31.823 0.227 0.000 0.662 64 V HN 0.381 nan 8.190 nan 0.000 0.455 65 G N 0.328 109.197 108.800 0.115 0.000 2.446 65 G HA2 -0.244 3.709 3.960 -0.013 0.000 0.217 65 G HA3 -0.244 3.709 3.960 -0.013 0.000 0.217 65 G C 1.778 176.724 174.900 0.076 0.000 1.168 65 G CA 1.026 46.167 45.100 0.068 0.000 0.771 65 G HN 0.531 nan 8.290 nan 0.000 0.551 66 R N -1.489 119.068 120.500 0.095 0.000 2.092 66 R HA -0.054 4.278 4.340 -0.013 0.000 0.231 66 R C 2.261 178.642 176.300 0.136 0.000 1.119 66 R CA 1.068 57.212 56.100 0.074 0.000 0.970 66 R CB -0.349 29.980 30.300 0.048 0.000 0.864 66 R HN 0.475 nan 8.270 nan 0.000 0.440 67 W N 1.555 122.835 121.300 -0.034 0.000 2.355 67 W HA -0.090 4.562 4.660 -0.012 0.000 0.309 67 W C 1.697 178.185 176.519 -0.052 0.000 1.206 67 W CA 1.003 58.324 57.345 -0.041 0.000 1.284 67 W CB -0.629 28.825 29.460 -0.009 0.000 1.145 67 W HN -0.040 nan 8.180 nan 0.000 0.502 68 I N 1.031 121.648 120.570 0.078 0.000 2.226 68 I HA -0.347 3.816 4.170 -0.013 0.000 0.245 68 I C 2.736 178.828 176.117 -0.041 0.000 1.100 68 I CA 2.090 63.351 61.300 -0.064 0.000 1.374 68 I CB -0.639 37.330 38.000 -0.053 0.000 1.057 68 I HN -0.015 nan 8.210 nan 0.000 0.413 69 R N 0.288 120.783 120.500 -0.009 0.000 2.119 69 R HA -0.050 4.283 4.340 -0.013 0.000 0.222 69 R C 1.922 178.187 176.300 -0.059 0.000 1.088 69 R CA 1.538 57.624 56.100 -0.023 0.000 0.984 69 R CB -1.165 29.124 30.300 -0.018 0.000 0.884 69 R HN 0.171 nan 8.270 nan 0.000 0.447 70 T N 1.724 116.222 114.554 -0.094 0.000 2.674 70 T HA -0.110 4.233 4.350 -0.013 0.000 0.265 70 T C 1.831 176.257 174.700 -0.456 0.000 1.039 70 T CA 1.420 63.356 62.100 -0.273 0.000 1.150 70 T CB -0.138 68.602 68.868 -0.214 0.000 0.864 70 T HN 0.252 nan 8.240 nan 0.000 0.427 71 Q N 0.754 120.419 119.800 -0.224 0.000 2.167 71 Q HA -0.080 4.253 4.340 -0.013 0.000 0.202 71 Q C 2.340 178.335 176.000 -0.008 0.000 0.970 71 Q CA 1.202 56.940 55.803 -0.107 0.000 0.855 71 Q CB -0.470 28.241 28.738 -0.045 0.000 0.911 71 Q HN 0.500 nan 8.270 nan 0.000 0.438 72 Q N 0.236 120.027 119.800 -0.016 0.000 2.084 72 Q HA -0.190 4.142 4.340 -0.013 0.000 0.202 72 Q C 1.912 177.988 176.000 0.127 0.000 0.978 72 Q CA 1.922 57.763 55.803 0.064 0.000 0.844 72 Q CB -0.387 28.372 28.738 0.035 0.000 0.898 72 Q HN 0.546 nan 8.270 nan 0.000 0.426 73 H N -0.962 118.077 119.070 -0.051 0.000 2.352 73 H HA -0.175 4.373 4.556 -0.012 0.000 0.299 73 H C 1.150 176.543 175.328 0.109 0.000 1.097 73 H CA 2.231 58.264 56.048 -0.025 0.000 1.311 73 H CB -0.288 29.402 29.762 -0.120 0.000 1.377 73 H HN 0.361 nan 8.280 nan 0.000 0.504 74 Y N -1.077 119.233 120.300 0.017 0.000 2.242 74 Y HA -0.174 4.368 4.550 -0.013 0.000 0.291 74 Y C 2.416 178.328 175.900 0.020 0.000 1.137 74 Y CA 1.021 59.106 58.100 -0.024 0.000 1.181 74 Y CB -1.366 37.143 38.460 0.082 0.000 0.989 74 Y HN 0.356 nan 8.280 nan 0.000 0.527 75 Y N 1.228 121.598 120.300 0.116 0.000 2.242 75 Y HA -0.167 4.376 4.550 -0.013 0.000 0.291 75 Y C 2.076 177.979 175.900 0.006 0.000 1.137 75 Y CA 1.630 59.763 58.100 0.055 0.000 1.181 75 Y CB -0.012 38.471 38.460 0.038 0.000 0.989 75 Y HN 0.023 nan 8.280 nan 0.000 0.527 76 E N 0.294 120.477 120.200 -0.028 0.000 2.051 76 E HA -0.132 4.210 4.350 -0.013 0.000 0.189 76 E C 2.026 178.532 176.600 -0.157 0.000 0.979 76 E CA 1.084 57.414 56.400 -0.116 0.000 0.803 76 E CB -0.230 29.468 29.700 -0.005 0.000 0.761 76 E HN 0.467 nan 8.360 nan 0.000 0.451 77 K N 0.680 120.972 120.400 -0.179 0.000 2.296 77 K HA -0.084 4.229 4.320 -0.013 0.000 0.200 77 K C -0.059 176.467 176.600 -0.124 0.000 1.048 77 K CA 0.474 56.658 56.287 -0.172 0.000 0.966 77 K CB 0.000 32.328 32.500 -0.288 0.000 0.754 77 K HN -0.000 nan 8.250 nan 0.000 0.466 78 D N 0.980 121.313 120.400 -0.111 0.000 2.735 78 D HA -0.102 4.530 4.640 -0.013 0.000 0.235 78 D C -2.421 173.839 176.300 -0.067 0.000 1.175 78 D CA 0.069 54.017 54.000 -0.087 0.000 0.683 78 D CB -0.077 40.647 40.800 -0.127 0.000 1.008 78 D HN 0.173 nan 8.370 nan 0.000 0.416 79 P HA 0.109 nan 4.420 nan 0.000 0.276 79 P C -0.148 177.103 177.300 -0.082 0.000 1.261 79 P CA -0.608 62.445 63.100 -0.077 0.000 0.800 79 P CB 0.622 32.258 31.700 -0.107 0.000 1.066 80 K N 1.169 121.526 120.400 -0.071 0.000 2.451 80 K HA 0.032 4.344 4.320 -0.013 0.000 0.280 80 K C -0.085 176.429 176.600 -0.143 0.000 1.020 80 K CA 0.070 56.309 56.287 -0.079 0.000 1.008 80 K CB 0.186 32.657 32.500 -0.048 0.000 0.917 80 K HN 0.252 nan 8.250 nan 0.000 0.478 81 R N 3.724 124.126 120.500 -0.163 0.000 2.368 81 R HA 0.353 4.686 4.340 -0.013 0.000 0.302 81 R C -0.574 175.470 176.300 -0.426 0.000 1.002 81 R CA -0.490 55.437 56.100 -0.288 0.000 0.929 81 R CB 0.879 31.007 30.300 -0.287 0.000 1.073 81 R HN 0.502 nan 8.270 nan 0.000 0.464 82 I N 4.470 124.733 120.570 -0.512 0.000 2.339 82 I HA 0.217 4.380 4.170 -0.013 0.000 0.290 82 I C -0.678 175.149 176.117 -0.483 0.000 0.994 82 I CA -0.747 60.208 61.300 -0.575 0.000 1.191 82 I CB 0.878 38.407 38.000 -0.784 0.000 1.343 82 I HN 0.542 nan 8.210 nan 0.000 0.458 83 Y N 5.939 126.200 120.300 -0.065 0.000 2.356 83 Y HA 0.290 4.832 4.550 -0.012 0.000 0.334 83 Y C -0.303 175.695 175.900 0.163 0.000 0.958 83 Y CA -0.702 57.471 58.100 0.123 0.000 1.196 83 Y CB 1.175 39.650 38.460 0.026 0.000 1.137 83 Y HN 0.402 nan 8.280 nan 0.000 0.485 84 Y N 4.597 125.081 120.300 0.306 0.000 2.518 84 Y HA 0.483 5.026 4.550 -0.012 0.000 0.344 84 Y C -1.257 174.909 175.900 0.443 0.000 0.982 84 Y CA -0.947 57.343 58.100 0.317 0.000 1.234 84 Y CB 0.295 38.944 38.460 0.316 0.000 1.114 84 Y HN 0.511 nan 8.280 nan 0.000 0.515 85 L N 4.974 126.255 121.223 0.097 0.000 2.265 85 L HA 0.474 4.807 4.340 -0.013 0.000 0.288 85 L C -0.187 176.716 176.870 0.055 0.000 1.058 85 L CA 0.148 55.103 54.840 0.192 0.000 0.809 85 L CB 1.321 43.455 42.059 0.127 0.000 1.179 85 L HN 0.563 nan 8.230 nan 0.000 0.429 86 S N 2.734 118.550 115.700 0.194 0.000 2.536 86 S HA 0.468 4.930 4.470 -0.013 0.000 0.271 86 S C 0.379 175.074 174.600 0.158 0.000 1.134 86 S CA -0.632 57.576 58.200 0.013 0.000 0.897 86 S CB 1.020 63.991 63.200 -0.383 0.000 1.094 86 S HN 0.491 nan 8.310 nan 0.000 0.473 87 L N 2.524 123.873 121.223 0.210 0.000 2.599 87 L HA 0.361 4.693 4.340 -0.013 0.000 0.230 87 L C 0.212 177.280 176.870 0.330 0.000 1.141 87 L CA 1.201 56.230 54.840 0.315 0.000 0.877 87 L CB -0.873 41.386 42.059 0.333 0.000 1.009 87 L HN 0.705 nan 8.230 nan 0.000 0.447 88 E N -0.902 119.366 120.200 0.114 0.000 2.290 88 E HA 0.375 4.718 4.350 -0.013 0.000 0.274 88 E C -1.529 174.960 176.600 -0.185 0.000 0.889 88 E CA -0.371 56.080 56.400 0.085 0.000 0.760 88 E CB 2.070 31.793 29.700 0.039 0.000 1.206 88 E HN -0.156 nan 8.360 nan 0.000 0.419 89 F N 2.180 122.233 119.950 0.172 0.000 2.716 89 F HA 0.190 4.710 4.527 -0.013 0.000 0.354 89 F C -0.802 175.080 175.800 0.137 0.000 1.168 89 F CA -0.758 57.333 58.000 0.151 0.000 1.045 89 F CB 0.960 40.039 39.000 0.133 0.000 1.311 89 F HN 0.485 nan 8.300 nan 0.000 0.477 90 Y N 5.242 125.620 120.300 0.130 0.000 2.632 90 Y HA 0.220 4.763 4.550 -0.012 0.000 0.336 90 Y C 0.951 176.874 175.900 0.037 0.000 1.237 90 Y CA -0.977 57.151 58.100 0.046 0.000 1.595 90 Y CB 0.322 38.794 38.460 0.020 0.000 1.508 90 Y HN 0.551 nan 8.280 nan 0.000 0.480 91 M N 1.310 121.039 119.600 0.216 0.000 2.388 91 M HA 0.117 4.590 4.480 -0.013 0.000 0.265 91 M C 1.570 177.854 176.300 -0.028 0.000 1.088 91 M CA 1.044 56.385 55.300 0.068 0.000 1.134 91 M CB -1.162 31.454 32.600 0.026 0.000 1.384 91 M HN 0.690 nan 8.290 nan 0.000 0.447 92 G N 1.300 110.094 108.800 -0.010 0.000 2.569 92 G HA2 -0.280 3.673 3.960 -0.013 0.000 0.259 92 G HA3 -0.280 3.673 3.960 -0.013 0.000 0.259 92 G C -0.220 174.640 174.900 -0.067 0.000 1.263 92 G CA -0.280 44.775 45.100 -0.074 0.000 0.928 92 G HN 0.441 nan 8.290 nan 0.000 0.572 93 R N -0.783 119.658 120.500 -0.099 0.000 2.531 93 R HA 0.562 4.894 4.340 -0.013 0.000 0.273 93 R C 1.058 177.249 176.300 -0.182 0.000 1.070 93 R CA 0.345 56.396 56.100 -0.082 0.000 1.112 93 R CB 0.703 30.959 30.300 -0.075 0.000 1.049 93 R HN 0.524 nan 8.270 nan 0.000 0.508 94 T N 1.105 115.508 114.554 -0.252 0.000 2.969 94 T HA -0.001 4.341 4.350 -0.013 0.000 0.250 94 T C 1.396 175.733 174.700 -0.606 0.000 1.021 94 T CA -0.159 61.582 62.100 -0.599 0.000 1.003 94 T CB 0.156 68.305 68.868 -1.198 0.000 1.040 94 T HN 0.315 nan 8.240 nan 0.000 0.492 95 L N 1.924 123.021 121.223 -0.209 0.000 1.970 95 L HA -0.014 4.319 4.340 -0.013 0.000 0.212 95 L C 2.446 179.286 176.870 -0.049 0.000 1.071 95 L CA 2.013 56.877 54.840 0.039 0.000 0.751 95 L CB -0.637 41.642 42.059 0.366 0.000 0.889 95 L HN 0.171 nan 8.230 nan 0.000 0.432 96 Q N -0.773 118.994 119.800 -0.055 0.000 2.084 96 Q HA -0.244 4.088 4.340 -0.013 0.000 0.202 96 Q C 2.223 178.153 176.000 -0.116 0.000 0.978 96 Q CA 1.746 57.509 55.803 -0.067 0.000 0.844 96 Q CB -0.284 28.412 28.738 -0.071 0.000 0.898 96 Q HN 0.696 nan 8.270 nan 0.000 0.426 97 N N -0.915 117.677 118.700 -0.180 0.000 2.104 97 N HA -0.153 4.579 4.740 -0.013 0.000 0.190 97 N C 1.373 176.776 175.510 -0.178 0.000 1.024 97 N CA 1.842 54.775 53.050 -0.194 0.000 0.853 97 N CB 0.064 38.401 38.487 -0.249 0.000 1.008 97 N HN 0.213 nan 8.380 nan 0.000 0.424 98 T N 1.313 115.726 114.554 -0.235 0.000 2.777 98 T HA -0.055 4.288 4.350 -0.013 0.000 0.266 98 T C 2.081 176.717 174.700 -0.107 0.000 1.040 98 T CA 1.045 63.023 62.100 -0.204 0.000 1.141 98 T CB -0.066 68.630 68.868 -0.286 0.000 0.868 98 T HN 0.262 nan 8.240 nan 0.000 0.444 99 M N 0.627 120.180 119.600 -0.077 0.000 2.086 99 M HA -0.102 4.371 4.480 -0.013 0.000 0.261 99 M C 2.503 178.769 176.300 -0.057 0.000 1.067 99 M CA 1.335 56.604 55.300 -0.053 0.000 1.116 99 M CB -0.755 31.829 32.600 -0.026 0.000 1.348 99 M HN 0.097 nan 8.290 nan 0.000 0.407 100 V N 1.118 121.005 119.914 -0.045 0.000 2.252 100 V HA -0.302 3.811 4.120 -0.013 0.000 0.249 100 V C 1.840 177.943 176.094 0.016 0.000 1.056 100 V CA 2.139 64.439 62.300 -0.000 0.000 1.022 100 V CB -0.961 30.866 31.823 0.005 0.000 0.641 100 V HN 0.481 nan 8.190 nan 0.000 0.445 101 N N -0.380 118.318 118.700 -0.004 0.000 2.381 101 N HA -0.055 4.678 4.740 -0.013 0.000 0.182 101 N C 1.107 176.525 175.510 -0.154 0.000 1.025 101 N CA 0.751 53.781 53.050 -0.033 0.000 0.888 101 N CB -0.173 38.304 38.487 -0.016 0.000 0.965 101 N HN 0.290 nan 8.380 nan 0.000 0.438 102 L N -0.160 120.989 121.223 -0.123 0.000 2.607 102 L HA 0.392 4.724 4.340 -0.013 0.000 0.228 102 L C 0.546 177.333 176.870 -0.138 0.000 1.123 102 L CA -0.241 54.525 54.840 -0.124 0.000 0.890 102 L CB -0.846 41.160 42.059 -0.088 0.000 1.103 102 L HN 0.110 nan 8.230 nan 0.000 0.468 103 A N -0.527 122.208 122.820 -0.142 0.000 2.846 103 A HA -0.211 4.102 4.320 -0.013 0.000 0.287 103 A C 0.961 178.486 177.584 -0.098 0.000 1.469 103 A CA 0.902 52.867 52.037 -0.120 0.000 0.757 103 A CB -1.928 16.988 19.000 -0.140 0.000 1.033 103 A HN 0.211 nan 8.150 nan 0.000 0.516 104 L N -0.930 120.236 121.223 -0.096 0.000 2.766 104 L HA 0.269 4.601 4.340 -0.013 0.000 0.242 104 L C 1.789 178.621 176.870 -0.063 0.000 1.136 104 L CA 1.397 56.175 54.840 -0.104 0.000 0.933 104 L CB -0.156 41.810 42.059 -0.155 0.000 1.241 104 L HN 0.625 nan 8.230 nan 0.000 0.522 105 E N -0.098 120.075 120.200 -0.045 0.000 2.051 105 E HA -0.220 4.123 4.350 -0.013 0.000 0.192 105 E C 1.546 178.132 176.600 -0.023 0.000 0.991 105 E CA 1.348 57.733 56.400 -0.026 0.000 0.799 105 E CB 0.292 29.980 29.700 -0.021 0.000 0.748 105 E HN 0.394 nan 8.360 nan 0.000 0.449 106 N N 0.010 118.693 118.700 -0.029 0.000 2.216 106 N HA -0.091 4.641 4.740 -0.013 0.000 0.183 106 N C 1.541 177.033 175.510 -0.030 0.000 1.017 106 N CA 1.173 54.205 53.050 -0.030 0.000 0.861 106 N CB -0.325 38.143 38.487 -0.032 0.000 0.986 106 N HN 0.209 nan 8.380 nan 0.000 0.428 107 A N 0.358 123.159 122.820 -0.032 0.000 1.902 107 A HA -0.139 4.174 4.320 -0.013 0.000 0.217 107 A C 2.632 180.206 177.584 -0.016 0.000 1.181 107 A CA 1.286 53.308 52.037 -0.026 0.000 0.623 107 A CB -0.987 17.991 19.000 -0.036 0.000 0.818 107 A HN 0.431 nan 8.150 nan 0.000 0.443 108 C N -0.831 118.460 119.300 -0.015 0.000 2.440 108 C HA -0.064 4.388 4.460 -0.013 0.000 0.278 108 C C 2.460 177.451 174.990 0.002 0.000 1.295 108 C CA 1.026 60.046 59.018 0.003 0.000 1.738 108 C CB -1.067 26.685 27.740 0.020 0.000 1.987 108 C HN 0.649 nan 8.230 nan 0.000 0.492 109 D N 0.610 121.010 120.400 -0.000 0.000 2.117 109 D HA -0.135 4.497 4.640 -0.013 0.000 0.197 109 D C 2.141 178.452 176.300 0.019 0.000 0.987 109 D CA 1.424 55.428 54.000 0.006 0.000 0.829 109 D CB -0.221 40.571 40.800 -0.012 0.000 0.961 109 D HN 0.468 nan 8.370 nan 0.000 0.460 110 E N 0.452 120.650 120.200 -0.002 0.000 2.047 110 E HA -0.064 4.279 4.350 -0.013 0.000 0.191 110 E C 1.898 178.525 176.600 0.045 0.000 0.987 110 E CA 1.597 58.006 56.400 0.015 0.000 0.799 110 E CB -0.516 29.177 29.700 -0.013 0.000 0.752 110 E HN 0.190 nan 8.360 nan 0.000 0.449 111 A N -0.109 122.711 122.820 0.001 0.000 1.883 111 A HA -0.225 4.087 4.320 -0.013 0.000 0.217 111 A C 2.493 180.007 177.584 -0.116 0.000 1.186 111 A CA 2.932 54.946 52.037 -0.039 0.000 0.624 111 A CB -1.475 17.506 19.000 -0.032 0.000 0.822 111 A HN 0.523 nan 8.150 nan 0.000 0.444 112 T N -3.798 110.682 114.554 -0.123 0.000 2.821 112 T HA -0.202 4.141 4.350 -0.013 0.000 0.267 112 T C 1.852 176.476 174.700 -0.126 0.000 1.046 112 T CA 1.475 63.448 62.100 -0.212 0.000 1.139 112 T CB -0.607 68.177 68.868 -0.140 0.000 0.871 112 T HN 0.451 nan 8.240 nan 0.000 0.454 113 Y N 2.225 122.448 120.300 -0.128 0.000 2.128 113 Y HA -0.138 4.405 4.550 -0.012 0.000 0.284 113 Y C 2.681 178.521 175.900 -0.099 0.000 1.154 113 Y CA 1.722 59.764 58.100 -0.096 0.000 1.149 113 Y CB -0.436 37.986 38.460 -0.063 0.000 0.976 113 Y HN 0.251 nan 8.280 nan 0.000 0.505 114 Q N -0.983 118.817 119.800 0.000 0.000 2.291 114 Q HA -0.113 4.220 4.340 -0.013 0.000 0.205 114 Q C 1.434 177.345 176.000 -0.149 0.000 0.970 114 Q CA 0.735 56.499 55.803 -0.065 0.000 0.876 114 Q CB -0.013 28.730 28.738 0.010 0.000 0.935 114 Q HN 0.359 nan 8.270 nan 0.000 0.455 115 L N -1.040 120.062 121.223 -0.202 0.000 2.591 115 L HA 0.161 4.494 4.340 -0.013 0.000 0.228 115 L C 1.147 177.862 176.870 -0.258 0.000 1.133 115 L CA 1.160 55.858 54.840 -0.238 0.000 0.880 115 L CB -0.242 41.592 42.059 -0.375 0.000 1.033 115 L HN 0.304 nan 8.230 nan 0.000 0.450 116 G N -0.243 108.385 108.800 -0.288 0.000 2.149 116 G HA2 -0.237 3.716 3.960 -0.013 0.000 0.235 116 G HA3 -0.237 3.716 3.960 -0.013 0.000 0.235 116 G C 0.054 174.798 174.900 -0.260 0.000 1.018 116 G CA 0.190 45.117 45.100 -0.287 0.000 0.728 116 G HN 0.269 nan 8.290 nan 0.000 0.508 117 L N -0.137 120.932 121.223 -0.258 0.000 2.342 117 L HA 0.637 4.969 4.340 -0.013 0.000 0.271 117 L C -0.526 176.292 176.870 -0.086 0.000 1.008 117 L CA -1.175 53.547 54.840 -0.197 0.000 0.818 117 L CB 1.881 43.776 42.059 -0.274 0.000 1.296 117 L HN 0.090 nan 8.230 nan 0.000 0.427 118 D N 1.901 122.285 120.400 -0.027 0.000 2.359 118 D HA 0.199 4.832 4.640 -0.013 0.000 0.230 118 D C 0.612 176.938 176.300 0.043 0.000 1.118 118 D CA -0.246 53.771 54.000 0.029 0.000 0.844 118 D CB 1.535 42.358 40.800 0.038 0.000 1.059 118 D HN 0.495 nan 8.370 nan 0.000 0.493 119 M N 3.020 122.650 119.600 0.050 0.000 2.159 119 M HA -0.129 4.343 4.480 -0.013 0.000 0.263 119 M C 1.328 177.668 176.300 0.067 0.000 1.063 119 M CA 1.496 56.834 55.300 0.063 0.000 1.110 119 M CB 0.196 32.828 32.600 0.053 0.000 1.374 119 M HN 0.449 nan 8.290 nan 0.000 0.411 120 E N -0.232 119.999 120.200 0.052 0.000 2.153 120 E HA -0.257 4.086 4.350 -0.013 0.000 0.194 120 E C 1.832 178.459 176.600 0.046 0.000 0.988 120 E CA 1.348 57.774 56.400 0.043 0.000 0.811 120 E CB -0.152 29.572 29.700 0.039 0.000 0.746 120 E HN 0.637 nan 8.360 nan 0.000 0.466 121 E N 0.424 120.656 120.200 0.053 0.000 2.072 121 E HA -0.187 4.155 4.350 -0.013 0.000 0.191 121 E C 1.930 178.565 176.600 0.059 0.000 0.985 121 E CA 0.536 56.968 56.400 0.053 0.000 0.801 121 E CB 0.185 29.919 29.700 0.057 0.000 0.750 121 E HN 0.074 nan 8.360 nan 0.000 0.452 122 L N 1.470 122.749 121.223 0.093 0.000 2.093 122 L HA -0.136 4.196 4.340 -0.013 0.000 0.208 122 L C 2.061 178.983 176.870 0.087 0.000 1.085 122 L CA 1.620 56.547 54.840 0.145 0.000 0.755 122 L CB -0.660 41.536 42.059 0.229 0.000 0.904 122 L HN 0.139 nan 8.230 nan 0.000 0.435 123 E N -0.632 119.610 120.200 0.070 0.000 2.118 123 E HA -0.210 4.132 4.350 -0.013 0.000 0.195 123 E C 1.786 178.339 176.600 -0.078 0.000 0.992 123 E CA 0.937 57.350 56.400 0.021 0.000 0.804 123 E CB -0.009 29.707 29.700 0.027 0.000 0.741 123 E HN 0.416 nan 8.360 nan 0.000 0.458 124 E N 0.203 120.370 120.200 -0.055 0.000 2.418 124 E HA -0.101 4.241 4.350 -0.013 0.000 0.197 124 E C 1.829 178.354 176.600 -0.125 0.000 1.026 124 E CA 0.502 56.868 56.400 -0.058 0.000 0.862 124 E CB 0.050 29.753 29.700 0.004 0.000 0.799 124 E HN 0.409 nan 8.360 nan 0.000 0.518 125 I N 0.743 121.170 120.570 -0.239 0.000 2.500 125 I HA -0.100 4.063 4.170 -0.013 0.000 0.252 125 I C 1.388 177.185 176.117 -0.533 0.000 1.142 125 I CA 0.246 61.334 61.300 -0.352 0.000 1.451 125 I CB 0.110 37.897 38.000 -0.354 0.000 1.093 125 I HN -0.034 nan 8.210 nan 0.000 0.430 126 E N 2.688 122.453 120.200 -0.724 0.000 2.415 126 E HA -0.039 4.303 4.350 -0.013 0.000 0.263 126 E C -0.205 176.301 176.600 -0.157 0.000 0.995 126 E CA -0.179 55.880 56.400 -0.569 0.000 0.915 126 E CB 0.610 30.097 29.700 -0.355 0.000 0.951 126 E HN 0.094 nan 8.360 nan 0.000 0.449 127 E N 3.315 123.516 120.200 0.002 0.000 2.366 127 E HA 0.057 4.400 4.350 -0.013 0.000 0.266 127 E C -0.815 175.880 176.600 0.158 0.000 1.051 127 E CA -0.238 56.242 56.400 0.133 0.000 0.884 127 E CB 0.727 30.590 29.700 0.272 0.000 1.006 127 E HN 0.490 nan 8.360 nan 0.000 0.417 128 D N 0.737 121.206 120.400 0.116 0.000 2.455 128 D HA 0.135 4.767 4.640 -0.013 0.000 0.241 128 D C -0.311 176.033 176.300 0.075 0.000 1.138 128 D CA 0.206 54.252 54.000 0.076 0.000 0.877 128 D CB 0.570 41.398 40.800 0.046 0.000 1.187 128 D HN 0.362 nan 8.370 nan 0.000 0.451 129 A N 2.506 125.326 122.820 -0.000 0.000 2.671 129 A HA 0.458 4.770 4.320 -0.013 0.000 0.306 129 A C 1.045 178.471 177.584 -0.263 0.000 1.473 129 A CA -0.399 51.444 52.037 -0.324 0.000 1.155 129 A CB -0.333 18.540 19.000 -0.211 0.000 1.123 129 A HN 0.544 nan 8.150 nan 0.000 0.545 130 G N 2.076 110.675 108.800 -0.335 0.000 3.741 130 G HA2 0.416 4.369 3.960 -0.013 0.000 0.263 130 G HA3 0.416 4.369 3.960 -0.013 0.000 0.263 130 G C 0.288 174.976 174.900 -0.353 0.000 1.175 130 G CA -0.309 44.685 45.100 -0.177 0.000 1.642 130 G HN 0.688 nan 8.290 nan 0.000 0.644 131 L N 1.436 122.493 121.223 -0.276 0.000 2.939 131 L HA 0.394 4.726 4.340 -0.013 0.000 0.239 131 L C 0.995 177.792 176.870 -0.121 0.000 1.325 131 L CA -0.209 54.563 54.840 -0.114 0.000 1.170 131 L CB -0.363 41.740 42.059 0.073 0.000 1.538 131 L HN 0.335 nan 8.230 nan 0.000 0.452 132 G N -1.201 107.298 108.800 -0.501 0.000 2.623 132 G HA2 0.169 4.122 3.960 -0.013 0.000 0.290 132 G HA3 0.169 4.122 3.960 -0.013 0.000 0.290 132 G C -0.158 174.236 174.900 -0.843 0.000 1.437 132 G CA -0.472 44.292 45.100 -0.560 0.000 0.798 132 G HN -0.065 nan 8.290 nan 0.000 0.488 133 N N -0.777 117.685 118.700 -0.398 0.000 2.402 133 N HA 0.210 4.943 4.740 -0.013 0.000 0.174 133 N C 1.166 176.691 175.510 0.026 0.000 1.027 133 N CA 1.345 54.277 53.050 -0.197 0.000 0.891 133 N CB 1.210 39.690 38.487 -0.012 0.000 1.016 133 N HN 0.878 nan 8.380 nan 0.000 0.439 134 G N -0.617 108.301 108.800 0.196 0.000 2.649 134 G HA2 0.126 4.078 3.960 -0.013 0.000 0.078 134 G HA3 0.126 4.078 3.960 -0.013 0.000 0.078 134 G C 0.717 175.782 174.900 0.275 0.000 1.110 134 G CA 0.191 45.510 45.100 0.364 0.000 1.269 134 G HN 0.150 nan 8.290 nan 0.000 0.581 135 G N 0.420 109.309 108.800 0.149 0.000 2.446 135 G HA2 -0.042 3.910 3.960 -0.013 0.000 0.217 135 G HA3 -0.042 3.910 3.960 -0.013 0.000 0.217 135 G C 1.905 176.815 174.900 0.018 0.000 1.168 135 G CA 1.593 46.734 45.100 0.069 0.000 0.771 135 G HN 0.853 nan 8.290 nan 0.000 0.551 136 L N 0.615 121.821 121.223 -0.029 0.000 2.017 136 L HA 0.098 4.430 4.340 -0.013 0.000 0.208 136 L C 2.826 179.637 176.870 -0.099 0.000 1.073 136 L CA 2.070 56.798 54.840 -0.188 0.000 0.745 136 L CB -0.558 41.339 42.059 -0.270 0.000 0.894 136 L HN 0.224 nan 8.230 nan 0.000 0.432 137 G N -0.844 107.962 108.800 0.009 0.000 2.421 137 G HA2 -0.281 3.672 3.960 -0.013 0.000 0.217 137 G HA3 -0.281 3.672 3.960 -0.013 0.000 0.217 137 G C 1.643 176.631 174.900 0.147 0.000 1.143 137 G CA 0.649 45.779 45.100 0.051 0.000 0.784 137 G HN 0.291 nan 8.290 nan 0.000 0.541 138 R N -0.010 120.606 120.500 0.193 0.000 2.115 138 R HA 0.154 4.487 4.340 -0.013 0.000 0.226 138 R C 2.291 178.605 176.300 0.023 0.000 1.100 138 R CA 0.720 56.896 56.100 0.126 0.000 0.980 138 R CB -0.863 29.463 30.300 0.044 0.000 0.875 138 R HN 0.319 nan 8.270 nan 0.000 0.445 139 L N 0.223 121.395 121.223 -0.085 0.000 2.042 139 L HA -0.031 4.301 4.340 -0.013 0.000 0.210 139 L C 2.089 178.682 176.870 -0.461 0.000 1.076 139 L CA 2.179 56.829 54.840 -0.316 0.000 0.749 139 L CB -0.825 41.019 42.059 -0.360 0.000 0.893 139 L HN 0.260 nan 8.230 nan 0.000 0.432 140 A N -0.621 122.062 122.820 -0.229 0.000 1.908 140 A HA -0.173 4.140 4.320 -0.013 0.000 0.218 140 A C 2.439 180.088 177.584 0.108 0.000 1.181 140 A CA 1.939 53.911 52.037 -0.109 0.000 0.627 140 A CB -1.153 17.733 19.000 -0.189 0.000 0.818 140 A HN 0.576 nan 8.150 nan 0.000 0.445 141 A N -1.076 121.839 122.820 0.160 0.000 1.873 141 A HA -0.147 4.165 4.320 -0.013 0.000 0.215 141 A C 2.315 179.981 177.584 0.138 0.000 1.186 141 A CA 1.626 53.781 52.037 0.196 0.000 0.616 141 A CB -1.266 17.837 19.000 0.173 0.000 0.823 141 A HN 0.603 nan 8.150 nan 0.000 0.442 142 C N -1.462 117.920 119.300 0.136 0.000 2.429 142 C HA -0.070 4.383 4.460 -0.013 0.000 0.277 142 C C 2.422 177.579 174.990 0.278 0.000 1.262 142 C CA 0.622 59.757 59.018 0.196 0.000 1.733 142 C CB -1.639 26.237 27.740 0.226 0.000 2.010 142 C HN 0.601 nan 8.230 nan 0.000 0.483 143 F N 1.222 121.162 119.950 -0.017 0.000 2.126 143 F HA -0.089 4.430 4.527 -0.013 0.000 0.299 143 F C 2.256 178.001 175.800 -0.092 0.000 1.096 143 F CA 1.047 58.983 58.000 -0.107 0.000 1.255 143 F CB -1.372 37.428 39.000 -0.334 0.000 0.997 143 F HN 0.193 nan 8.300 nan 0.000 0.479 144 L N -0.404 120.898 121.223 0.132 0.000 2.042 144 L HA -0.259 4.074 4.340 -0.013 0.000 0.210 144 L C 2.164 179.049 176.870 0.024 0.000 1.076 144 L CA 1.975 56.847 54.840 0.053 0.000 0.749 144 L CB -0.766 41.325 42.059 0.053 0.000 0.893 144 L HN 0.110 nan 8.230 nan 0.000 0.432 145 D N -0.551 119.874 120.400 0.042 0.000 2.097 145 D HA -0.172 4.461 4.640 -0.013 0.000 0.195 145 D C 2.199 178.519 176.300 0.032 0.000 0.989 145 D CA 1.474 55.485 54.000 0.018 0.000 0.827 145 D CB 0.206 41.015 40.800 0.016 0.000 0.966 145 D HN 0.082 nan 8.370 nan 0.000 0.456 146 S N -0.735 115.000 115.700 0.059 0.000 2.383 146 S HA -0.087 4.376 4.470 -0.013 0.000 0.227 146 S C 1.980 176.595 174.600 0.026 0.000 1.026 146 S CA 0.760 58.986 58.200 0.044 0.000 0.981 146 S CB -0.206 63.026 63.200 0.052 0.000 0.818 146 S HN 0.339 nan 8.310 nan 0.000 0.472 147 M N 0.961 120.570 119.600 0.014 0.000 2.159 147 M HA -0.102 4.370 4.480 -0.013 0.000 0.263 147 M C 2.431 178.736 176.300 0.008 0.000 1.063 147 M CA 1.422 56.727 55.300 0.009 0.000 1.110 147 M CB -0.479 32.108 32.600 -0.021 0.000 1.374 147 M HN 0.403 nan 8.290 nan 0.000 0.411 148 A N -0.328 122.494 122.820 0.003 0.000 1.897 148 A HA -0.109 4.204 4.320 -0.013 0.000 0.215 148 A C 2.143 179.745 177.584 0.029 0.000 1.181 148 A CA 1.935 53.977 52.037 0.008 0.000 0.620 148 A CB -1.031 17.956 19.000 -0.020 0.000 0.821 148 A HN 0.417 nan 8.150 nan 0.000 0.443 149 T N 0.420 114.996 114.554 0.037 0.000 2.833 149 T HA -0.018 4.324 4.350 -0.013 0.000 0.269 149 T C 1.343 176.076 174.700 0.054 0.000 1.054 149 T CA 1.172 63.307 62.100 0.059 0.000 1.135 149 T CB -0.271 68.640 68.868 0.072 0.000 0.869 149 T HN 0.346 nan 8.240 nan 0.000 0.466 150 L N 0.390 121.642 121.223 0.047 0.000 2.611 150 L HA 0.306 4.639 4.340 -0.013 0.000 0.229 150 L C 1.648 178.552 176.870 0.056 0.000 1.137 150 L CA -0.026 54.844 54.840 0.049 0.000 0.901 150 L CB -0.417 41.670 42.059 0.048 0.000 1.098 150 L HN 0.407 nan 8.230 nan 0.000 0.456 151 G N 1.186 110.023 108.800 0.061 0.000 2.221 151 G HA2 -0.281 3.671 3.960 -0.013 0.000 0.265 151 G HA3 -0.281 3.671 3.960 -0.013 0.000 0.265 151 G C 0.109 175.060 174.900 0.085 0.000 1.041 151 G CA 0.015 45.169 45.100 0.089 0.000 0.807 151 G HN 0.285 nan 8.290 nan 0.000 0.502 152 L N -0.196 121.048 121.223 0.034 0.000 2.350 152 L HA 0.615 4.947 4.340 -0.013 0.000 0.275 152 L C 1.222 177.981 176.870 -0.186 0.000 1.099 152 L CA -0.351 54.460 54.840 -0.048 0.000 0.808 152 L CB 1.532 43.575 42.059 -0.027 0.000 1.149 152 L HN 0.253 nan 8.230 nan 0.000 0.442 153 A N 2.913 125.479 122.820 -0.424 0.000 2.981 153 A HA 0.556 4.868 4.320 -0.013 0.000 0.280 153 A C 0.320 177.571 177.584 -0.554 0.000 1.743 153 A CA -0.150 51.356 52.037 -0.886 0.000 1.430 153 A CB -0.699 17.642 19.000 -1.098 0.000 1.085 153 A HN 0.709 nan 8.150 nan 0.000 0.597 154 A N 1.538 124.080 122.820 -0.464 0.000 2.337 154 A HA 0.789 5.102 4.320 -0.013 0.000 0.329 154 A C -1.032 176.314 177.584 -0.396 0.000 1.146 154 A CA -0.465 51.370 52.037 -0.336 0.000 0.800 154 A CB 0.786 19.653 19.000 -0.222 0.000 1.220 154 A HN 0.621 nan 8.150 nan 0.000 0.472 155 Y N 0.445 120.683 120.300 -0.104 0.000 2.361 155 Y HA 0.530 5.072 4.550 -0.012 0.000 0.337 155 Y C 0.864 176.868 175.900 0.174 0.000 0.965 155 Y CA -0.570 57.551 58.100 0.036 0.000 1.091 155 Y CB 2.387 40.965 38.460 0.196 0.000 1.182 155 Y HN 0.835 nan 8.280 nan 0.000 0.450 156 G N 2.344 111.241 108.800 0.162 0.000 2.353 156 G HA2 0.425 4.377 3.960 -0.013 0.000 0.284 156 G HA3 0.425 4.377 3.960 -0.013 0.000 0.284 156 G C -1.682 173.246 174.900 0.047 0.000 1.172 156 G CA -0.196 45.018 45.100 0.190 0.000 0.854 156 G HN 0.542 nan 8.290 nan 0.000 0.485 157 Y N 1.122 121.648 120.300 0.377 0.000 2.350 157 Y HA 0.618 5.161 4.550 -0.013 0.000 0.338 157 Y C 0.761 176.962 175.900 0.503 0.000 0.961 157 Y CA 0.199 58.491 58.100 0.320 0.000 1.100 157 Y CB 2.665 41.342 38.460 0.360 0.000 1.179 157 Y HN 0.872 nan 8.280 nan 0.000 0.454 158 G N 2.386 111.495 108.800 0.515 0.000 2.772 158 G HA2 0.590 4.542 3.960 -0.013 0.000 0.284 158 G HA3 0.590 4.542 3.960 -0.013 0.000 0.284 158 G C -1.713 173.418 174.900 0.384 0.000 1.217 158 G CA -0.818 44.614 45.100 0.553 0.000 0.831 158 G HN 0.421 nan 8.290 nan 0.000 0.523 159 I N 0.601 121.292 120.570 0.202 0.000 2.474 159 I HA 0.435 4.598 4.170 -0.013 0.000 0.294 159 I C 0.195 176.204 176.117 -0.181 0.000 1.005 159 I CA -0.732 60.575 61.300 0.011 0.000 1.113 159 I CB 2.254 40.089 38.000 -0.275 0.000 1.289 159 I HN 0.356 nan 8.210 nan 0.000 0.436 160 R N 6.061 126.558 120.500 -0.006 0.000 2.608 160 R HA 0.232 4.565 4.340 -0.013 0.000 0.277 160 R C -1.256 175.083 176.300 0.064 0.000 1.341 160 R CA -0.439 55.689 56.100 0.046 0.000 1.199 160 R CB -0.023 30.282 30.300 0.008 0.000 1.156 160 R HN 0.396 nan 8.270 nan 0.000 0.558 161 Y N 1.576 122.028 120.300 0.255 0.000 2.511 161 Y HA -0.079 4.464 4.550 -0.013 0.000 0.332 161 Y C 1.589 177.663 175.900 0.290 0.000 1.177 161 Y CA 0.057 58.296 58.100 0.232 0.000 1.422 161 Y CB 0.796 39.368 38.460 0.188 0.000 1.271 161 Y HN 0.595 nan 8.280 nan 0.000 0.550 162 E N 2.219 122.587 120.200 0.281 0.000 2.150 162 E HA -0.071 4.272 4.350 -0.013 0.000 0.193 162 E C -0.740 175.709 176.600 -0.252 0.000 0.985 162 E CA 0.700 57.058 56.400 -0.070 0.000 0.814 162 E CB 0.172 29.716 29.700 -0.260 0.000 0.752 162 E HN 0.508 nan 8.360 nan 0.000 0.466 163 F N -0.259 119.909 119.950 0.364 0.000 2.477 163 F HA 0.445 4.964 4.527 -0.013 0.000 0.335 163 F C 0.791 176.683 175.800 0.154 0.000 1.130 163 F CA -0.863 57.309 58.000 0.288 0.000 0.948 163 F CB 1.870 40.968 39.000 0.164 0.000 1.154 163 F HN -0.109 nan 8.300 nan 0.000 0.439 164 G N 1.830 110.745 108.800 0.191 0.000 2.531 164 G HA2 0.338 4.290 3.960 -0.013 0.000 0.253 164 G HA3 0.338 4.290 3.960 -0.013 0.000 0.253 164 G C -0.522 174.343 174.900 -0.058 0.000 1.439 164 G CA -0.673 44.382 45.100 -0.074 0.000 1.056 164 G HN 0.553 nan 8.290 nan 0.000 0.555 165 I N 0.942 121.402 120.570 -0.183 0.000 2.752 165 I HA 0.200 4.362 4.170 -0.013 0.000 0.289 165 I C 0.550 176.581 176.117 -0.145 0.000 1.197 165 I CA -1.016 60.150 61.300 -0.223 0.000 1.432 165 I CB -0.271 37.502 38.000 -0.379 0.000 1.359 165 I HN 0.326 nan 8.210 nan 0.000 0.571 166 F N 6.239 126.201 119.950 0.019 0.000 2.595 166 F HA 0.237 4.757 4.527 -0.012 0.000 0.359 166 F C 0.524 176.373 175.800 0.081 0.000 1.147 166 F CA -0.602 57.429 58.000 0.052 0.000 1.341 166 F CB -0.337 38.681 39.000 0.029 0.000 1.104 166 F HN 0.418 nan 8.300 nan 0.000 0.603 167 N N 2.388 121.264 118.700 0.293 0.000 2.470 167 N HA 0.035 4.767 4.740 -0.013 0.000 0.268 167 N C -0.760 174.985 175.510 0.390 0.000 1.136 167 N CA -0.215 52.984 53.050 0.247 0.000 0.961 167 N CB 1.102 39.717 38.487 0.213 0.000 1.067 167 N HN 0.748 nan 8.380 nan 0.000 0.468 168 Q N 2.603 122.605 119.800 0.337 0.000 2.296 168 Q HA 0.154 4.486 4.340 -0.013 0.000 0.257 168 Q C -0.896 175.268 176.000 0.273 0.000 0.942 168 Q CA -0.398 55.639 55.803 0.390 0.000 0.939 168 Q CB 0.652 29.622 28.738 0.387 0.000 1.198 168 Q HN 0.229 nan 8.270 nan 0.000 0.429 169 K N 4.069 124.604 120.400 0.225 0.000 2.156 169 K HA 0.469 4.782 4.320 -0.013 0.000 0.254 169 K C -0.537 176.153 176.600 0.149 0.000 0.950 169 K CA -0.880 55.513 56.287 0.178 0.000 0.849 169 K CB 1.519 34.103 32.500 0.140 0.000 1.100 169 K HN 0.624 nan 8.250 nan 0.000 0.434 170 I N 1.803 122.452 120.570 0.130 0.000 2.330 170 I HA 0.175 4.338 4.170 -0.013 0.000 0.289 170 I C -0.145 176.019 176.117 0.078 0.000 1.001 170 I CA -0.686 60.660 61.300 0.078 0.000 1.193 170 I CB 1.012 39.035 38.000 0.038 0.000 1.345 170 I HN 0.469 nan 8.210 nan 0.000 0.461 171 C N 4.994 124.351 119.300 0.095 0.000 2.346 171 C HA 0.625 5.077 4.460 -0.013 0.000 0.326 171 C C 1.128 176.212 174.990 0.157 0.000 1.224 171 C CA 0.251 59.331 59.018 0.104 0.000 1.408 171 C CB 0.006 27.801 27.740 0.091 0.000 2.089 171 C HN 1.103 nan 8.230 nan 0.000 0.456 172 G N 3.940 112.806 108.800 0.111 0.000 2.225 172 G HA2 0.075 4.028 3.960 -0.013 0.000 0.267 172 G HA3 0.075 4.028 3.960 -0.013 0.000 0.267 172 G C 1.224 176.143 174.900 0.031 0.000 1.024 172 G CA 1.237 46.412 45.100 0.126 0.000 0.784 172 G HN 2.588 nan 8.290 nan 0.000 0.507 173 G N -2.940 105.817 108.800 -0.070 0.000 2.199 173 G HA2 -0.287 3.666 3.960 -0.013 0.000 0.254 173 G HA3 -0.287 3.666 3.960 -0.013 0.000 0.254 173 G C 0.368 175.030 174.900 -0.396 0.000 0.982 173 G CA 0.616 45.551 45.100 -0.276 0.000 0.632 173 G HN 1.184 nan 8.290 nan 0.000 0.529 174 W N 0.947 122.182 121.300 -0.108 0.000 2.512 174 W HA 0.665 5.318 4.660 -0.012 0.000 0.335 174 W C 0.661 177.115 176.519 -0.108 0.000 1.088 174 W CA -0.865 56.411 57.345 -0.116 0.000 1.236 174 W CB 0.794 30.205 29.460 -0.082 0.000 1.307 174 W HN 0.252 nan 8.180 nan 0.000 0.567 175 Q N 3.103 122.988 119.800 0.142 0.000 2.313 175 Q HA 0.197 4.529 4.340 -0.013 0.000 0.266 175 Q C -0.562 175.486 176.000 0.079 0.000 0.989 175 Q CA 0.222 56.080 55.803 0.091 0.000 0.890 175 Q CB 0.512 29.299 28.738 0.080 0.000 1.200 175 Q HN 0.316 nan 8.270 nan 0.000 0.396 176 M N 3.141 122.783 119.600 0.070 0.000 2.456 176 M HA 0.387 4.859 4.480 -0.013 0.000 0.324 176 M C -1.056 175.244 176.300 -0.000 0.000 1.124 176 M CA -0.679 54.630 55.300 0.015 0.000 0.959 176 M CB 1.813 34.435 32.600 0.036 0.000 1.692 176 M HN 0.611 nan 8.290 nan 0.000 0.444 177 E N 1.707 121.838 120.200 -0.116 0.000 2.179 177 E HA 0.457 4.799 4.350 -0.013 0.000 0.275 177 E C -0.753 175.833 176.600 -0.023 0.000 0.945 177 E CA -0.556 55.742 56.400 -0.171 0.000 0.792 177 E CB 1.612 30.968 29.700 -0.573 0.000 1.125 177 E HN 0.515 nan 8.360 nan 0.000 0.397 178 E N 0.913 121.178 120.200 0.108 0.000 2.317 178 E HA 0.720 5.063 4.350 -0.013 0.000 0.270 178 E C -1.066 175.619 176.600 0.140 0.000 0.885 178 E CA -1.530 54.923 56.400 0.090 0.000 0.760 178 E CB 1.452 31.209 29.700 0.095 0.000 1.227 178 E HN 0.447 nan 8.360 nan 0.000 0.434 179 A N 2.085 124.941 122.820 0.061 0.000 2.546 179 A HA 0.040 4.352 4.320 -0.013 0.000 0.243 179 A C -0.074 177.663 177.584 0.255 0.000 1.063 179 A CA 0.294 52.370 52.037 0.066 0.000 0.757 179 A CB -0.094 18.790 19.000 -0.194 0.000 0.991 179 A HN 0.704 nan 8.150 nan 0.000 0.503 180 D N 1.828 122.450 120.400 0.369 0.000 2.483 180 D HA 0.183 4.815 4.640 -0.013 0.000 0.220 180 D C -0.373 176.269 176.300 0.570 0.000 1.173 180 D CA -0.188 54.047 54.000 0.391 0.000 0.964 180 D CB 0.335 41.301 40.800 0.276 0.000 1.046 180 D HN 0.379 nan 8.370 nan 0.000 0.517 181 D N 3.901 124.597 120.400 0.493 0.000 2.801 181 D HA -0.027 4.605 4.640 -0.013 0.000 0.232 181 D C 1.131 177.577 176.300 0.243 0.000 1.128 181 D CA -0.540 53.683 54.000 0.371 0.000 1.003 181 D CB -0.200 40.801 40.800 0.335 0.000 1.110 181 D HN 0.564 nan 8.370 nan 0.000 0.477 182 W N 1.585 122.929 121.300 0.073 0.000 2.525 182 W HA -0.048 4.605 4.660 -0.012 0.000 0.259 182 W C 0.182 176.757 176.519 0.093 0.000 1.253 182 W CA 0.127 57.532 57.345 0.099 0.000 1.262 182 W CB -0.759 28.760 29.460 0.099 0.000 1.122 182 W HN 0.173 nan 8.180 nan 0.000 0.607 183 L N 0.911 121.791 121.223 -0.572 0.000 2.607 183 L HA 0.185 4.518 4.340 -0.013 0.000 0.228 183 L C 2.756 179.467 176.870 -0.264 0.000 1.123 183 L CA -0.020 54.452 54.840 -0.613 0.000 0.890 183 L CB -0.634 40.924 42.059 -0.836 0.000 1.103 183 L HN -0.112 nan 8.230 nan 0.000 0.468 184 R N 0.495 120.899 120.500 -0.159 0.000 2.113 184 R HA -0.234 4.098 4.340 -0.013 0.000 0.244 184 R C 1.428 177.558 176.300 -0.282 0.000 1.142 184 R CA 2.133 58.099 56.100 -0.224 0.000 0.953 184 R CB -0.184 29.961 30.300 -0.258 0.000 0.860 184 R HN 0.304 nan 8.270 nan 0.000 0.438 185 Y N -0.587 119.733 120.300 0.034 0.000 2.457 185 Y HA 0.317 4.859 4.550 -0.012 0.000 0.263 185 Y C 0.855 176.753 175.900 -0.002 0.000 1.164 185 Y CA 0.473 58.606 58.100 0.056 0.000 1.274 185 Y CB 0.913 39.524 38.460 0.252 0.000 1.097 185 Y HN 0.426 nan 8.280 nan 0.000 0.523 186 G N 1.196 110.046 108.800 0.082 0.000 2.662 186 G HA2 -0.203 3.749 3.960 -0.013 0.000 0.686 186 G HA3 -0.203 3.749 3.960 -0.013 0.000 0.686 186 G C -1.322 173.646 174.900 0.113 0.000 1.271 186 G CA -0.833 44.278 45.100 0.018 0.000 0.816 186 G HN 0.234 nan 8.290 nan 0.000 0.608 187 N N 1.021 119.736 118.700 0.026 0.000 2.573 187 N HA 0.582 5.314 4.740 -0.013 0.000 0.262 187 N C -0.742 174.768 175.510 0.001 0.000 1.029 187 N CA -1.911 51.170 53.050 0.053 0.000 0.882 187 N CB 2.089 40.548 38.487 -0.048 0.000 1.204 187 N HN 0.242 nan 8.380 nan 0.000 0.519 188 P HA 0.021 nan 4.420 nan 0.000 0.233 188 P C 0.578 177.587 177.300 -0.485 0.000 1.167 188 P CA 0.726 63.529 63.100 -0.495 0.000 0.770 188 P CB 0.108 31.196 31.700 -1.020 0.000 0.837 189 W N 1.822 123.135 121.300 0.021 0.000 2.640 189 W HA 0.062 4.714 4.660 -0.012 0.000 0.268 189 W C 1.278 177.837 176.519 0.067 0.000 1.263 189 W CA -0.361 56.992 57.345 0.014 0.000 1.344 189 W CB -0.215 29.251 29.460 0.010 0.000 1.093 189 W HN 0.001 nan 8.180 nan 0.000 0.603 190 E N 1.697 122.074 120.200 0.295 0.000 2.319 190 E HA 0.334 4.676 4.350 -0.013 0.000 0.268 190 E C -0.646 176.124 176.600 0.284 0.000 1.050 190 E CA -0.757 55.826 56.400 0.304 0.000 0.878 190 E CB 1.341 31.232 29.700 0.319 0.000 1.066 190 E HN -0.320 nan 8.360 nan 0.000 0.406 191 K N 1.606 122.188 120.400 0.303 0.000 2.535 191 K HA 0.411 4.724 4.320 -0.013 0.000 0.253 191 K C -1.160 175.466 176.600 0.043 0.000 0.953 191 K CA -0.477 55.921 56.287 0.185 0.000 0.863 191 K CB 1.520 34.135 32.500 0.191 0.000 1.111 191 K HN 0.668 nan 8.250 nan 0.000 0.431 192 A N 4.232 126.983 122.820 -0.115 0.000 2.511 192 A HA 0.283 4.596 4.320 -0.013 0.000 0.242 192 A C -0.251 177.150 177.584 -0.305 0.000 1.069 192 A CA -0.001 51.705 52.037 -0.551 0.000 0.763 192 A CB 0.185 18.858 19.000 -0.545 0.000 1.001 192 A HN 0.669 nan 8.150 nan 0.000 0.498 193 R N 3.360 123.678 120.500 -0.304 0.000 2.983 193 R HA 0.203 4.535 4.340 -0.013 0.000 0.300 193 R C -2.340 173.881 176.300 -0.131 0.000 1.367 193 R CA -1.729 54.301 56.100 -0.116 0.000 1.564 193 R CB 0.621 31.007 30.300 0.144 0.000 1.314 193 R HN 0.570 nan 8.270 nan 0.000 0.622 194 P HA -0.187 nan 4.420 nan 0.000 0.219 194 P C 0.962 178.183 177.300 -0.131 0.000 1.146 194 P CA 1.119 64.149 63.100 -0.116 0.000 0.808 194 P CB 0.370 32.004 31.700 -0.110 0.000 0.779 195 E N -0.230 119.794 120.200 -0.294 0.000 2.338 195 E HA -0.143 4.199 4.350 -0.013 0.000 0.197 195 E C 0.584 176.940 176.600 -0.407 0.000 1.007 195 E CA 0.912 57.057 56.400 -0.425 0.000 0.849 195 E CB -0.836 28.469 29.700 -0.659 0.000 0.774 195 E HN 0.269 nan 8.360 nan 0.000 0.506 196 F N 1.814 121.778 119.950 0.023 0.000 2.684 196 F HA 0.274 4.793 4.527 -0.012 0.000 0.298 196 F C 0.411 176.300 175.800 0.149 0.000 1.120 196 F CA -0.569 57.474 58.000 0.071 0.000 1.332 196 F CB 0.102 39.136 39.000 0.058 0.000 0.986 196 F HN -0.296 nan 8.300 nan 0.000 0.524 197 T N 2.775 117.466 114.554 0.229 0.000 2.928 197 T HA 0.298 4.641 4.350 -0.013 0.000 0.305 197 T C -0.211 174.593 174.700 0.173 0.000 1.035 197 T CA 0.348 62.581 62.100 0.223 0.000 1.145 197 T CB 0.652 69.601 68.868 0.135 0.000 0.963 197 T HN -0.160 nan 8.240 nan 0.000 0.545 198 L N 5.727 127.025 121.223 0.126 0.000 2.370 198 L HA 0.561 4.893 4.340 -0.013 0.000 0.266 198 L C -2.220 174.607 176.870 -0.072 0.000 1.002 198 L CA -2.553 52.287 54.840 -0.000 0.000 0.818 198 L CB 1.910 43.900 42.059 -0.114 0.000 1.325 198 L HN 0.384 nan 8.230 nan 0.000 0.418 199 P HA 0.373 nan 4.420 nan 0.000 0.288 199 P C -1.196 175.967 177.300 -0.228 0.000 1.267 199 P CA -0.376 62.638 63.100 -0.144 0.000 0.815 199 P CB 1.636 33.249 31.700 -0.145 0.000 0.989 200 V N 3.892 123.654 119.914 -0.254 0.000 2.604 200 V HA 0.334 4.447 4.120 -0.013 0.000 0.305 200 V C 0.143 176.009 176.094 -0.379 0.000 1.043 200 V CA -0.612 61.522 62.300 -0.277 0.000 0.888 200 V CB 1.468 33.170 31.823 -0.203 0.000 0.995 200 V HN 0.601 nan 8.190 nan 0.000 0.429 201 H N 3.758 122.670 119.070 -0.264 0.000 2.472 201 H HA 0.625 5.173 4.556 -0.013 0.000 0.338 201 H C -1.293 173.772 175.328 -0.439 0.000 1.133 201 H CA -0.155 55.674 56.048 -0.365 0.000 1.216 201 H CB 1.939 31.267 29.762 -0.724 0.000 1.497 201 H HN 0.484 nan 8.280 nan 0.000 0.500 202 F N 0.367 120.395 119.950 0.130 0.000 2.613 202 F HA 0.217 4.736 4.527 -0.013 0.000 0.314 202 F C -0.273 175.662 175.800 0.224 0.000 1.075 202 F CA -0.526 57.551 58.000 0.128 0.000 0.945 202 F CB 1.153 40.135 39.000 -0.030 0.000 1.310 202 F HN 0.562 nan 8.300 nan 0.000 0.467 203 Y N 0.153 120.759 120.300 0.510 0.000 2.904 203 Y HA -0.001 4.541 4.550 -0.012 0.000 0.466 203 Y C 1.315 177.472 175.900 0.428 0.000 1.202 203 Y CA 0.590 58.905 58.100 0.359 0.000 2.492 203 Y CB -1.915 36.684 38.460 0.232 0.000 1.237 203 Y HN 1.280 nan 8.280 nan 0.000 0.633 204 G N 0.692 109.769 108.800 0.463 0.000 2.593 204 G HA2 0.102 4.055 3.960 -0.013 0.000 0.237 204 G HA3 0.102 4.055 3.960 -0.013 0.000 0.237 204 G C -0.588 174.528 174.900 0.360 0.000 1.312 204 G CA 0.897 46.195 45.100 0.329 0.000 0.896 204 G HN 1.374 nan 8.290 nan 0.000 0.574 205 R N -2.521 118.187 120.500 0.347 0.000 2.734 205 R HA 0.693 5.025 4.340 -0.013 0.000 0.271 205 R C -1.393 175.042 176.300 0.225 0.000 1.021 205 R CA -0.987 55.255 56.100 0.237 0.000 0.893 205 R CB 1.358 31.744 30.300 0.144 0.000 1.244 205 R HN 0.879 nan 8.270 nan 0.000 0.464 206 V N 1.199 121.159 119.914 0.078 0.000 2.394 206 V HA 0.323 4.435 4.120 -0.013 0.000 0.282 206 V C -0.146 175.882 176.094 -0.110 0.000 1.031 206 V CA -0.507 61.763 62.300 -0.049 0.000 0.881 206 V CB 1.275 32.996 31.823 -0.171 0.000 0.982 206 V HN 0.671 nan 8.190 nan 0.000 0.451 207 E N 3.483 123.604 120.200 -0.132 0.000 2.166 207 E HA 0.411 4.753 4.350 -0.013 0.000 0.275 207 E C -0.943 175.519 176.600 -0.230 0.000 0.941 207 E CA -0.698 55.637 56.400 -0.108 0.000 0.784 207 E CB 1.170 30.857 29.700 -0.020 0.000 1.115 207 E HN 0.667 nan 8.360 nan 0.000 0.399 208 H N 1.989 121.073 119.070 0.024 0.000 2.517 208 H HA 0.218 4.766 4.556 -0.013 0.000 0.317 208 H C 0.295 175.631 175.328 0.014 0.000 1.080 208 H CA -0.208 55.849 56.048 0.015 0.000 1.301 208 H CB 1.384 31.150 29.762 0.007 0.000 1.425 208 H HN 0.578 nan 8.280 nan 0.000 0.471 209 T N -0.959 113.659 114.554 0.107 0.000 2.841 209 T HA 0.210 4.553 4.350 -0.013 0.000 0.276 209 T C 1.334 176.070 174.700 0.061 0.000 1.003 209 T CA -0.763 61.377 62.100 0.066 0.000 0.995 209 T CB 1.049 69.940 68.868 0.038 0.000 1.260 209 T HN 0.344 nan 8.240 nan 0.000 0.581 210 S N -0.101 115.624 115.700 0.041 0.000 2.402 210 S HA -0.036 4.426 4.470 -0.013 0.000 0.229 210 S C 1.167 175.786 174.600 0.032 0.000 1.021 210 S CA 0.953 59.172 58.200 0.032 0.000 0.974 210 S CB -0.367 62.847 63.200 0.024 0.000 0.800 210 S HN 0.715 nan 8.310 nan 0.000 0.484 211 Q N 0.739 120.559 119.800 0.033 0.000 2.824 211 Q HA 0.498 4.830 4.340 -0.013 0.000 0.371 211 Q C 0.274 176.296 176.000 0.036 0.000 1.071 211 Q CA 0.061 55.883 55.803 0.031 0.000 1.064 211 Q CB -0.134 28.618 28.738 0.024 0.000 1.332 211 Q HN 0.395 nan 8.270 nan 0.000 0.445 212 G N 0.435 109.266 108.800 0.051 0.000 2.760 212 G HA2 0.002 3.954 3.960 -0.013 0.000 0.246 212 G HA3 0.002 3.954 3.960 -0.013 0.000 0.246 212 G C -0.511 174.425 174.900 0.060 0.000 1.359 212 G CA -0.589 44.549 45.100 0.064 0.000 0.861 212 G HN 0.800 nan 8.290 nan 0.000 0.541 213 A N 0.059 122.907 122.820 0.045 0.000 2.322 213 A HA 0.718 5.031 4.320 -0.013 0.000 0.269 213 A C 0.471 178.017 177.584 -0.064 0.000 1.094 213 A CA 0.334 52.326 52.037 -0.075 0.000 0.807 213 A CB 0.642 19.565 19.000 -0.130 0.000 1.047 213 A HN 0.758 nan 8.150 nan 0.000 0.487 214 K N 0.650 120.998 120.400 -0.088 0.000 2.427 214 K HA 0.198 4.510 4.320 -0.013 0.000 0.252 214 K C -1.884 174.751 176.600 0.060 0.000 0.931 214 K CA -0.345 55.937 56.287 -0.009 0.000 0.793 214 K CB 2.208 34.704 32.500 -0.007 0.000 1.211 214 K HN 0.745 nan 8.250 nan 0.000 0.426 215 W N 5.314 126.537 121.300 -0.130 0.000 2.311 215 W HA 0.340 4.992 4.660 -0.013 0.000 0.317 215 W C -0.620 175.840 176.519 -0.099 0.000 1.065 215 W CA -0.830 56.444 57.345 -0.117 0.000 1.364 215 W CB 0.107 29.487 29.460 -0.133 0.000 1.233 215 W HN 0.300 nan 8.180 nan 0.000 0.409 216 V N 2.751 122.720 119.914 0.092 0.000 3.113 216 V HA 0.614 4.727 4.120 -0.013 0.000 0.316 216 V C -0.147 175.926 176.094 -0.036 0.000 1.125 216 V CA -0.939 61.340 62.300 -0.037 0.000 1.026 216 V CB 1.953 33.781 31.823 0.009 0.000 1.080 216 V HN 0.460 nan 8.190 nan 0.000 0.444 217 D N 0.158 120.536 120.400 -0.038 0.000 2.772 217 D HA -0.139 4.493 4.640 -0.013 0.000 0.233 217 D C 0.552 176.858 176.300 0.009 0.000 1.143 217 D CA 1.509 55.510 54.000 0.002 0.000 0.700 217 D CB -1.712 39.111 40.800 0.038 0.000 1.076 217 D HN 1.299 nan 8.370 nan 0.000 0.430 218 T N -2.909 111.605 114.554 -0.067 0.000 2.849 218 T HA 0.488 4.831 4.350 -0.013 0.000 0.284 218 T C 0.461 175.217 174.700 0.094 0.000 1.004 218 T CA -0.726 61.352 62.100 -0.038 0.000 1.021 218 T CB 1.896 70.588 68.868 -0.294 0.000 1.013 218 T HN 0.052 nan 8.240 nan 0.000 0.527 219 Q N 0.409 120.332 119.800 0.204 0.000 2.230 219 Q HA 0.592 4.924 4.340 -0.013 0.000 0.253 219 Q C -1.022 175.102 176.000 0.207 0.000 0.919 219 Q CA -0.892 55.050 55.803 0.232 0.000 0.908 219 Q CB 1.943 30.886 28.738 0.342 0.000 1.245 219 Q HN 0.521 nan 8.270 nan 0.000 0.437 220 V N 3.002 122.999 119.914 0.138 0.000 2.435 220 V HA 0.423 4.535 4.120 -0.013 0.000 0.290 220 V C -0.394 175.788 176.094 0.147 0.000 1.030 220 V CA -0.660 61.641 62.300 0.000 0.000 0.881 220 V CB 1.681 33.442 31.823 -0.103 0.000 0.983 220 V HN 0.493 nan 8.190 nan 0.000 0.445 221 V N 5.883 125.893 119.914 0.160 0.000 2.555 221 V HA 0.494 4.607 4.120 -0.013 0.000 0.302 221 V C -0.125 176.066 176.094 0.162 0.000 1.038 221 V CA -0.679 61.738 62.300 0.196 0.000 0.887 221 V CB 1.926 33.940 31.823 0.318 0.000 0.991 221 V HN 0.632 nan 8.190 nan 0.000 0.434 222 L N 3.433 124.747 121.223 0.151 0.000 2.350 222 L HA 0.731 5.064 4.340 -0.013 0.000 0.275 222 L C 0.439 177.485 176.870 0.293 0.000 1.099 222 L CA -0.325 54.605 54.840 0.150 0.000 0.808 222 L CB 1.318 43.446 42.059 0.114 0.000 1.149 222 L HN 0.766 nan 8.230 nan 0.000 0.442 223 A N 5.094 128.034 122.820 0.200 0.000 2.267 223 A HA 0.578 4.890 4.320 -0.013 0.000 0.315 223 A C -0.496 177.350 177.584 0.438 0.000 1.297 223 A CA -0.470 51.717 52.037 0.250 0.000 0.865 223 A CB 0.931 19.638 19.000 -0.487 0.000 1.165 223 A HN 0.784 nan 8.150 nan 0.000 0.513 224 M N 5.875 125.794 119.600 0.531 0.000 2.129 224 M HA 0.455 4.928 4.480 -0.013 0.000 0.348 224 M C -2.613 173.967 176.300 0.466 0.000 1.116 224 M CA -2.150 53.411 55.300 0.435 0.000 1.022 224 M CB 1.981 34.759 32.600 0.296 0.000 1.599 224 M HN 0.341 nan 8.290 nan 0.000 0.449 225 P HA 0.267 nan 4.420 nan 0.000 0.284 225 P C -1.936 175.331 177.300 -0.055 0.000 1.253 225 P CA -0.024 63.004 63.100 -0.121 0.000 0.800 225 P CB 0.533 31.964 31.700 -0.449 0.000 0.961 226 Y N 0.563 120.803 120.300 -0.100 0.000 2.350 226 Y HA 0.345 4.888 4.550 -0.013 0.000 0.338 226 Y C 0.219 176.104 175.900 -0.025 0.000 0.961 226 Y CA -0.312 57.784 58.100 -0.007 0.000 1.100 226 Y CB 1.344 39.831 38.460 0.045 0.000 1.179 226 Y HN 0.220 nan 8.280 nan 0.000 0.454 227 D N 1.831 122.339 120.400 0.180 0.000 2.193 227 D HA 0.417 5.049 4.640 -0.013 0.000 0.244 227 D C -0.636 175.888 176.300 0.373 0.000 1.064 227 D CA -0.239 53.903 54.000 0.237 0.000 0.845 227 D CB 1.789 42.751 40.800 0.271 0.000 1.148 227 D HN 0.375 nan 8.370 nan 0.000 0.464 228 T N 3.176 117.854 114.554 0.206 0.000 2.824 228 T HA 0.459 4.802 4.350 -0.013 0.000 0.282 228 T C -2.534 171.987 174.700 -0.299 0.000 0.993 228 T CA -1.473 60.640 62.100 0.022 0.000 0.967 228 T CB 2.038 70.916 68.868 0.017 0.000 0.960 228 T HN 0.161 nan 8.240 nan 0.000 0.441 229 P HA 0.298 nan 4.420 nan 0.000 0.275 229 P C -0.989 175.963 177.300 -0.580 0.000 1.227 229 P CA -0.370 62.008 63.100 -1.204 0.000 0.781 229 P CB 0.788 31.594 31.700 -1.489 0.000 0.906 230 V N 5.252 124.893 119.914 -0.455 0.000 2.305 230 V HA 0.264 4.376 4.120 -0.013 0.000 0.275 230 V C -2.089 173.871 176.094 -0.225 0.000 1.020 230 V CA -1.925 60.208 62.300 -0.278 0.000 0.811 230 V CB 1.382 33.091 31.823 -0.189 0.000 1.031 230 V HN 0.539 nan 8.190 nan 0.000 0.439 231 P HA 0.274 nan 4.420 nan 0.000 0.280 231 P C 0.363 177.614 177.300 -0.082 0.000 1.244 231 P CA 0.293 63.305 63.100 -0.146 0.000 0.784 231 P CB 1.554 33.165 31.700 -0.149 0.000 0.913 232 G N 2.156 110.927 108.800 -0.048 0.000 2.599 232 G HA2 0.140 4.093 3.960 -0.013 0.000 0.264 232 G HA3 0.140 4.093 3.960 -0.013 0.000 0.264 232 G C -1.170 173.746 174.900 0.026 0.000 1.200 232 G CA -0.590 44.511 45.100 0.002 0.000 0.896 232 G HN 0.513 nan 8.290 nan 0.000 0.536 233 Y N 0.902 121.168 120.300 -0.058 0.000 2.624 233 Y HA 0.238 4.780 4.550 -0.013 0.000 0.354 233 Y C 1.343 177.209 175.900 -0.057 0.000 1.051 233 Y CA -0.161 57.900 58.100 -0.065 0.000 1.377 233 Y CB -0.087 38.333 38.460 -0.066 0.000 1.168 233 Y HN 0.729 nan 8.280 nan 0.000 0.525 234 R N 3.102 123.318 120.500 -0.473 0.000 3.502 234 R HA -0.325 4.008 4.340 -0.013 0.000 0.266 234 R C 0.115 176.281 176.300 -0.223 0.000 1.077 234 R CA 1.352 57.191 56.100 -0.434 0.000 0.718 234 R CB -2.020 27.857 30.300 -0.705 0.000 1.120 234 R HN 0.948 nan 8.270 nan 0.000 0.457 235 N N -0.861 117.761 118.700 -0.131 0.000 2.171 235 N HA 0.043 4.775 4.740 -0.013 0.000 0.212 235 N C -0.064 175.406 175.510 -0.066 0.000 1.184 235 N CA -0.457 52.548 53.050 -0.074 0.000 0.888 235 N CB 0.494 38.964 38.487 -0.029 0.000 1.038 235 N HN 0.091 nan 8.380 nan 0.000 0.517 236 N N -0.206 118.449 118.700 -0.074 0.000 2.778 236 N HA -0.135 4.597 4.740 -0.013 0.000 0.249 236 N C -0.905 174.573 175.510 -0.053 0.000 1.069 236 N CA 0.633 53.647 53.050 -0.060 0.000 0.831 236 N CB -1.303 37.149 38.487 -0.059 0.000 1.142 236 N HN 0.188 nan 8.380 nan 0.000 0.573 237 V N 1.282 121.169 119.914 -0.045 0.000 2.498 237 V HA 0.386 4.498 4.120 -0.013 0.000 0.279 237 V C 0.637 176.710 176.094 -0.035 0.000 1.048 237 V CA -0.418 61.864 62.300 -0.029 0.000 0.967 237 V CB 2.008 33.840 31.823 0.015 0.000 0.988 237 V HN -0.028 nan 8.190 nan 0.000 0.473 238 V N 5.487 125.385 119.914 -0.027 0.000 2.419 238 V HA 0.444 4.557 4.120 -0.013 0.000 0.287 238 V C -0.095 175.998 176.094 -0.001 0.000 1.017 238 V CA -0.836 61.421 62.300 -0.071 0.000 0.844 238 V CB 1.479 33.238 31.823 -0.108 0.000 1.011 238 V HN 0.840 nan 8.190 nan 0.000 0.429 239 N N 1.973 120.641 118.700 -0.053 0.000 2.448 239 N HA 0.575 5.308 4.740 -0.013 0.000 0.274 239 N C -0.074 175.419 175.510 -0.030 0.000 1.239 239 N CA -0.328 52.713 53.050 -0.016 0.000 0.982 239 N CB 1.305 39.745 38.487 -0.079 0.000 1.199 239 N HN 0.578 nan 8.380 nan 0.000 0.576 240 T N 0.760 115.307 114.554 -0.011 0.000 2.829 240 T HA 0.401 4.744 4.350 -0.013 0.000 0.280 240 T C -0.218 174.447 174.700 -0.058 0.000 0.999 240 T CA -0.507 61.654 62.100 0.102 0.000 0.983 240 T CB 1.069 70.114 68.868 0.295 0.000 0.968 240 T HN 0.292 nan 8.240 nan 0.000 0.446 241 M N 3.739 123.270 119.600 -0.115 0.000 2.101 241 M HA 0.493 4.966 4.480 -0.013 0.000 0.340 241 M C -0.473 175.678 176.300 -0.249 0.000 1.057 241 M CA -0.739 54.406 55.300 -0.258 0.000 0.984 241 M CB 0.696 33.087 32.600 -0.348 0.000 1.560 241 M HN 0.482 nan 8.290 nan 0.000 0.435 242 R N 5.975 126.214 120.500 -0.436 0.000 2.265 242 R HA 0.615 4.947 4.340 -0.013 0.000 0.328 242 R C -1.948 174.049 176.300 -0.504 0.000 0.969 242 R CA -0.425 55.362 56.100 -0.522 0.000 0.832 242 R CB 0.853 30.649 30.300 -0.841 0.000 1.139 242 R HN 0.810 nan 8.270 nan 0.000 0.457 243 L N 5.147 126.186 121.223 -0.308 0.000 2.333 243 L HA 0.494 4.826 4.340 -0.013 0.000 0.280 243 L C -0.831 175.995 176.870 -0.073 0.000 1.004 243 L CA -0.904 53.854 54.840 -0.136 0.000 0.820 243 L CB 1.475 43.540 42.059 0.009 0.000 1.247 243 L HN 0.585 nan 8.230 nan 0.000 0.416 244 W N 1.947 123.360 121.300 0.188 0.000 2.315 244 W HA 0.477 5.129 4.660 -0.012 0.000 0.316 244 W C 0.580 177.316 176.519 0.362 0.000 1.211 244 W CA -0.165 57.315 57.345 0.225 0.000 1.201 244 W CB 1.487 30.941 29.460 -0.010 0.000 1.184 244 W HN 0.349 nan 8.180 nan 0.000 0.544 245 S N 1.869 117.968 115.700 0.666 0.000 2.503 245 S HA 0.784 5.247 4.470 -0.013 0.000 0.301 245 S C -0.490 174.451 174.600 0.569 0.000 1.087 245 S CA -0.725 57.775 58.200 0.501 0.000 1.042 245 S CB 0.695 64.122 63.200 0.379 0.000 1.043 245 S HN 0.529 nan 8.310 nan 0.000 0.489 246 A N 4.675 127.669 122.820 0.289 0.000 2.328 246 A HA 0.657 4.969 4.320 -0.013 0.000 0.284 246 A C -0.157 177.488 177.584 0.101 0.000 1.160 246 A CA -0.326 51.776 52.037 0.109 0.000 0.818 246 A CB 0.378 19.166 19.000 -0.353 0.000 1.087 246 A HN 0.673 nan 8.150 nan 0.000 0.504 247 K N 1.281 121.754 120.400 0.121 0.000 2.482 247 K HA 0.575 4.888 4.320 -0.013 0.000 0.251 247 K C -0.482 176.112 176.600 -0.011 0.000 0.936 247 K CA -0.431 55.889 56.287 0.055 0.000 0.791 247 K CB 2.218 34.781 32.500 0.105 0.000 1.213 247 K HN 0.854 nan 8.250 nan 0.000 0.428 248 A N 4.555 127.303 122.820 -0.120 0.000 2.425 248 A HA 0.384 4.696 4.320 -0.013 0.000 0.249 248 A C -2.079 175.484 177.584 -0.035 0.000 1.084 248 A CA -0.908 50.996 52.037 -0.222 0.000 0.781 248 A CB -0.353 18.331 19.000 -0.526 0.000 1.019 248 A HN 0.347 nan 8.150 nan 0.000 0.490 249 P HA 0.096 nan 4.420 nan 0.000 0.272 249 P C 0.025 177.405 177.300 0.134 0.000 1.230 249 P CA -0.374 62.790 63.100 0.107 0.000 0.788 249 P CB 0.580 32.363 31.700 0.138 0.000 0.949 250 N N 0.876 119.637 118.700 0.102 0.000 2.459 250 N HA -0.106 4.626 4.740 -0.013 0.000 0.181 250 N C 0.810 176.392 175.510 0.120 0.000 1.046 250 N CA 0.968 54.078 53.050 0.100 0.000 0.904 250 N CB -0.383 38.147 38.487 0.072 0.000 0.964 250 N HN 0.557 nan 8.380 nan 0.000 0.444 251 D N -0.888 119.586 120.400 0.123 0.000 2.342 251 D HA -0.073 4.560 4.640 -0.013 0.000 0.221 251 D C 0.088 176.458 176.300 0.118 0.000 1.101 251 D CA -0.604 53.458 54.000 0.104 0.000 0.837 251 D CB -0.964 39.878 40.800 0.069 0.000 0.938 251 D HN 0.036 nan 8.370 nan 0.000 0.508 252 F N 2.544 122.508 119.950 0.022 0.000 2.593 252 F HA 0.016 4.536 4.527 -0.012 0.000 0.393 252 F C 0.648 176.453 175.800 0.007 0.000 1.037 252 F CA 0.271 58.281 58.000 0.017 0.000 1.195 252 F CB 0.048 39.057 39.000 0.016 0.000 1.034 252 F HN -0.159 nan 8.300 nan 0.000 0.552 253 N N 3.046 121.422 118.700 -0.541 0.000 2.732 253 N HA -0.276 4.456 4.740 -0.013 0.000 0.250 253 N C -0.703 174.734 175.510 -0.121 0.000 1.097 253 N CA 1.403 54.234 53.050 -0.365 0.000 0.812 253 N CB -1.375 36.890 38.487 -0.369 0.000 1.148 253 N HN 0.562 nan 8.380 nan 0.000 0.572 262 Y N 0.843 121.149 120.300 0.010 0.000 2.145 262 Y HA -0.043 4.500 4.550 -0.012 0.000 0.286 262 Y C 2.675 178.589 175.900 0.024 0.000 1.145 262 Y CA 2.301 60.410 58.100 0.016 0.000 1.148 262 Y CB -0.066 38.402 38.460 0.014 0.000 0.981 262 Y HN 0.228 nan 8.280 nan 0.000 0.507 263 I N 0.476 120.992 120.570 -0.091 0.000 2.179 263 I HA -0.296 3.866 4.170 -0.013 0.000 0.242 263 I C 2.377 178.400 176.117 -0.156 0.000 1.088 263 I CA 1.773 62.967 61.300 -0.176 0.000 1.357 263 I CB -1.414 36.589 38.000 0.005 0.000 1.051 263 I HN 0.330 nan 8.210 nan 0.000 0.409 264 Q N 1.124 120.882 119.800 -0.071 0.000 2.135 264 Q HA -0.125 4.207 4.340 -0.013 0.000 0.204 264 Q C 2.227 178.200 176.000 -0.044 0.000 0.981 264 Q CA 2.243 58.021 55.803 -0.041 0.000 0.856 264 Q CB -0.365 28.365 28.738 -0.013 0.000 0.902 264 Q HN 0.481 nan 8.270 nan 0.000 0.425 265 A N -0.833 121.944 122.820 -0.072 0.000 1.902 265 A HA -0.135 4.177 4.320 -0.013 0.000 0.217 265 A C 2.251 179.825 177.584 -0.017 0.000 1.181 265 A CA 1.660 53.672 52.037 -0.042 0.000 0.623 265 A CB -0.761 18.207 19.000 -0.053 0.000 0.818 265 A HN 0.266 nan 8.150 nan 0.000 0.443 266 V N 0.159 119.976 119.914 -0.162 0.000 2.358 266 V HA -0.229 3.883 4.120 -0.013 0.000 0.246 266 V C 2.510 178.575 176.094 -0.049 0.000 1.047 266 V CA 1.841 64.059 62.300 -0.136 0.000 1.035 266 V CB -0.748 30.895 31.823 -0.300 0.000 0.658 266 V HN 0.571 nan 8.190 nan 0.000 0.452 267 L N -0.224 120.968 121.223 -0.051 0.000 2.201 267 L HA -0.144 4.189 4.340 -0.013 0.000 0.212 267 L C 2.021 178.905 176.870 0.023 0.000 1.105 267 L CA 1.198 56.028 54.840 -0.017 0.000 0.775 267 L CB -0.660 41.389 42.059 -0.018 0.000 0.913 267 L HN 0.323 nan 8.230 nan 0.000 0.440 268 D N -0.001 120.444 120.400 0.075 0.000 2.371 268 D HA -0.073 4.559 4.640 -0.013 0.000 0.221 268 D C 2.149 178.579 176.300 0.217 0.000 0.986 268 D CA 0.449 54.547 54.000 0.164 0.000 0.899 268 D CB 0.002 40.923 40.800 0.203 0.000 0.902 268 D HN 0.214 nan 8.370 nan 0.000 0.530 269 R N 0.312 120.856 120.500 0.073 0.000 2.159 269 R HA -0.088 4.245 4.340 -0.013 0.000 0.237 269 R C 1.677 177.816 176.300 -0.270 0.000 1.131 269 R CA 0.983 56.916 56.100 -0.278 0.000 0.982 269 R CB -0.300 29.901 30.300 -0.165 0.000 0.868 269 R HN 0.353 nan 8.270 nan 0.000 0.453 270 N N 0.291 118.931 118.700 -0.101 0.000 2.205 270 N HA -0.186 4.547 4.740 -0.013 0.000 0.186 270 N C 1.253 176.722 175.510 -0.068 0.000 1.015 270 N CA 0.763 53.773 53.050 -0.066 0.000 0.862 270 N CB -0.102 38.376 38.487 -0.016 0.000 0.986 270 N HN 0.027 nan 8.380 nan 0.000 0.429 271 L N 0.994 122.189 121.223 -0.046 0.000 2.046 271 L HA -0.127 4.206 4.340 -0.013 0.000 0.208 271 L C 2.452 179.284 176.870 -0.064 0.000 1.077 271 L CA 1.452 56.288 54.840 -0.005 0.000 0.747 271 L CB -0.943 41.176 42.059 0.101 0.000 0.896 271 L HN 0.162 nan 8.230 nan 0.000 0.432 272 A N -0.811 121.893 122.820 -0.193 0.000 1.898 272 A HA -0.167 4.146 4.320 -0.013 0.000 0.216 272 A C 2.154 179.628 177.584 -0.184 0.000 1.181 272 A CA 1.390 53.298 52.037 -0.214 0.000 0.620 272 A CB -0.450 18.295 19.000 -0.425 0.000 0.819 272 A HN 0.516 nan 8.150 nan 0.000 0.442 273 E N 0.052 120.147 120.200 -0.175 0.000 2.427 273 E HA -0.076 4.266 4.350 -0.013 0.000 0.196 273 E C 1.013 177.571 176.600 -0.070 0.000 1.028 273 E CA 0.230 56.562 56.400 -0.113 0.000 0.864 273 E CB -0.135 29.514 29.700 -0.084 0.000 0.813 273 E HN 0.461 nan 8.360 nan 0.000 0.514 274 N N 1.020 119.685 118.700 -0.059 0.000 2.381 274 N HA -0.088 4.644 4.740 -0.013 0.000 0.182 274 N C 1.612 177.115 175.510 -0.012 0.000 1.025 274 N CA 0.609 53.653 53.050 -0.010 0.000 0.888 274 N CB -0.043 38.444 38.487 -0.000 0.000 0.965 274 N HN 0.254 nan 8.380 nan 0.000 0.438 275 I N 0.403 120.910 120.570 -0.106 0.000 2.194 275 I HA -0.267 3.895 4.170 -0.013 0.000 0.246 275 I C 1.452 177.533 176.117 -0.061 0.000 1.093 275 I CA 1.343 62.550 61.300 -0.155 0.000 1.355 275 I CB -0.247 37.498 38.000 -0.426 0.000 1.046 275 I HN 0.136 nan 8.210 nan 0.000 0.413 276 S N -0.416 115.241 115.700 -0.072 0.000 2.583 276 S HA 0.180 4.642 4.470 -0.013 0.000 0.239 276 S C 1.474 176.202 174.600 0.213 0.000 0.966 276 S CA -0.507 57.742 58.200 0.081 0.000 0.973 276 S CB 0.222 63.456 63.200 0.057 0.000 0.794 276 S HN 0.223 nan 8.310 nan 0.000 0.463 277 R N 1.238 121.864 120.500 0.211 0.000 2.073 277 R HA 0.280 4.612 4.340 -0.013 0.000 0.229 277 R C 0.355 176.898 176.300 0.404 0.000 1.120 277 R CA 1.066 57.329 56.100 0.272 0.000 0.967 277 R CB -0.198 30.230 30.300 0.214 0.000 0.862 277 R HN 0.388 nan 8.270 nan 0.000 0.436 278 V N 0.483 120.596 119.914 0.331 0.000 2.851 278 V HA 0.352 4.465 4.120 -0.013 0.000 0.307 278 V C -1.593 174.466 176.094 -0.058 0.000 1.129 278 V CA -1.376 61.043 62.300 0.198 0.000 0.932 278 V CB 1.767 33.634 31.823 0.074 0.000 1.024 278 V HN 0.152 nan 8.190 nan 0.000 0.426 279 L N 7.023 127.983 121.223 -0.438 0.000 2.410 279 L HA 0.450 4.783 4.340 -0.013 0.000 0.273 279 L C -0.763 175.940 176.870 -0.279 0.000 1.144 279 L CA 0.461 54.831 54.840 -0.782 0.000 0.863 279 L CB 0.366 41.892 42.059 -0.889 0.000 1.140 279 L HN 0.678 nan 8.230 nan 0.000 0.463 280 Y N 7.042 127.246 120.300 -0.159 0.000 2.650 280 Y HA 0.154 4.697 4.550 -0.013 0.000 0.331 280 Y C -1.348 174.540 175.900 -0.020 0.000 1.165 280 Y CA -1.085 56.995 58.100 -0.034 0.000 1.473 280 Y CB 0.240 38.705 38.460 0.008 0.000 1.224 280 Y HN 0.574 nan 8.280 nan 0.000 0.533 281 P HA 0.034 nan 4.420 nan 0.000 0.249 281 P C -0.891 176.534 177.300 0.208 0.000 1.544 281 P CA 0.102 63.303 63.100 0.169 0.000 0.932 281 P CB 0.115 32.006 31.700 0.318 0.000 1.524 282 N N 1.231 120.062 118.700 0.219 0.000 2.438 282 N HA 0.177 4.910 4.740 -0.013 0.000 0.282 282 N C -0.706 174.948 175.510 0.240 0.000 1.037 282 N CA 0.038 53.240 53.050 0.253 0.000 0.942 282 N CB 1.191 39.877 38.487 0.332 0.000 1.136 282 N HN 0.058 nan 8.380 nan 0.000 0.481 283 D N 1.006 121.574 120.400 0.280 0.000 2.303 283 D HA 0.243 4.876 4.640 -0.013 0.000 0.236 283 D C -0.467 176.105 176.300 0.454 0.000 1.068 283 D CA -0.321 53.880 54.000 0.335 0.000 0.830 283 D CB 0.301 41.325 40.800 0.372 0.000 1.109 283 D HN 0.246 nan 8.370 nan 0.000 0.496 284 N N 2.662 121.570 118.700 0.347 0.000 2.725 284 N HA -0.250 4.483 4.740 -0.013 0.000 0.251 284 N C -1.582 174.169 175.510 0.401 0.000 1.031 284 N CA 0.767 54.001 53.050 0.305 0.000 0.720 284 N CB -0.978 37.631 38.487 0.204 0.000 0.930 284 N HN 0.398 nan 8.380 nan 0.000 0.543 285 F N 0.280 120.334 119.950 0.174 0.000 2.604 285 F HA 0.433 4.952 4.527 -0.013 0.000 0.316 285 F C -1.214 174.663 175.800 0.128 0.000 1.136 285 F CA -1.334 56.739 58.000 0.121 0.000 0.989 285 F CB 0.911 39.945 39.000 0.056 0.000 1.258 285 F HN -0.009 nan 8.300 nan 0.000 0.451 286 F N 5.997 125.533 119.950 -0.689 0.000 2.411 286 F HA 0.455 4.974 4.527 -0.013 0.000 0.350 286 F C -0.379 174.925 175.800 -0.828 0.000 1.114 286 F CA -0.114 57.516 58.000 -0.616 0.000 1.135 286 F CB 0.665 39.360 39.000 -0.509 0.000 1.120 286 F HN 0.583 nan 8.300 nan 0.000 0.495 287 E N 4.244 123.799 120.200 -1.074 0.000 2.145 287 E HA 0.298 4.641 4.350 -0.013 0.000 0.262 287 E C -0.140 175.711 176.600 -1.248 0.000 0.883 287 E CA -0.734 55.109 56.400 -0.927 0.000 0.748 287 E CB 1.366 30.891 29.700 -0.291 0.000 1.140 287 E HN 0.921 nan 8.360 nan 0.000 0.417 288 G N 5.222 113.213 108.800 -1.349 0.000 3.316 288 G HA2 0.046 3.999 3.960 -0.013 0.000 0.255 288 G HA3 0.046 3.999 3.960 -0.013 0.000 0.255 288 G C -0.044 174.744 174.900 -0.187 0.000 0.880 288 G CA -0.220 44.251 45.100 -1.048 0.000 1.956 288 G HN 0.194 nan 8.290 nan 0.000 0.634 289 K N 0.356 120.722 120.400 -0.057 0.000 2.110 289 K HA 0.210 4.523 4.320 -0.013 0.000 0.263 289 K C 0.914 177.650 176.600 0.228 0.000 0.975 289 K CA -0.695 55.658 56.287 0.110 0.000 0.895 289 K CB 2.254 34.817 32.500 0.105 0.000 1.060 289 K HN 0.374 nan 8.250 nan 0.000 0.448 290 E N 1.464 121.764 120.200 0.168 0.000 2.085 290 E HA -0.208 4.134 4.350 -0.013 0.000 0.194 290 E C 1.553 178.183 176.600 0.050 0.000 0.994 290 E CA 1.024 57.476 56.400 0.087 0.000 0.801 290 E CB 0.170 29.921 29.700 0.084 0.000 0.743 290 E HN 0.388 nan 8.360 nan 0.000 0.453 291 L N 1.406 122.701 121.223 0.120 0.000 2.042 291 L HA -0.198 4.135 4.340 -0.013 0.000 0.210 291 L C 2.480 179.451 176.870 0.169 0.000 1.076 291 L CA 1.873 56.802 54.840 0.149 0.000 0.749 291 L CB -0.571 41.640 42.059 0.253 0.000 0.893 291 L HN 0.014 nan 8.230 nan 0.000 0.432 292 R N -0.626 119.936 120.500 0.103 0.000 2.081 292 R HA -0.171 4.161 4.340 -0.013 0.000 0.235 292 R C 2.126 178.475 176.300 0.082 0.000 1.131 292 R CA 1.898 57.982 56.100 -0.028 0.000 0.960 292 R CB -1.049 29.001 30.300 -0.416 0.000 0.856 292 R HN 0.409 nan 8.270 nan 0.000 0.436 293 L N 0.896 122.087 121.223 -0.054 0.000 2.046 293 L HA -0.087 4.246 4.340 -0.013 0.000 0.208 293 L C 1.724 178.536 176.870 -0.096 0.000 1.077 293 L CA 1.915 56.516 54.840 -0.398 0.000 0.747 293 L CB -0.415 41.104 42.059 -0.901 0.000 0.896 293 L HN 0.167 nan 8.230 nan 0.000 0.432 294 K N -1.028 119.358 120.400 -0.023 0.000 2.057 294 K HA -0.197 4.115 4.320 -0.013 0.000 0.207 294 K C 2.088 178.851 176.600 0.273 0.000 1.049 294 K CA 1.751 58.087 56.287 0.082 0.000 0.931 294 K CB -0.195 32.164 32.500 -0.236 0.000 0.714 294 K HN 0.502 nan 8.250 nan 0.000 0.440 295 Q N 0.674 120.600 119.800 0.211 0.000 2.061 295 Q HA -0.206 4.127 4.340 -0.013 0.000 0.204 295 Q C 1.975 178.176 176.000 0.335 0.000 0.984 295 Q CA 1.545 57.529 55.803 0.302 0.000 0.846 295 Q CB -0.054 28.882 28.738 0.329 0.000 0.902 295 Q HN 0.393 nan 8.270 nan 0.000 0.421 296 E N -0.275 120.075 120.200 0.251 0.000 2.077 296 E HA -0.208 4.134 4.350 -0.013 0.000 0.193 296 E C 1.735 178.454 176.600 0.199 0.000 0.989 296 E CA 1.008 57.539 56.400 0.218 0.000 0.800 296 E CB -0.127 29.678 29.700 0.175 0.000 0.746 296 E HN 0.328 nan 8.360 nan 0.000 0.452 297 Y N 0.381 120.734 120.300 0.088 0.000 2.220 297 Y HA -0.201 4.341 4.550 -0.012 0.000 0.291 297 Y C 1.969 177.908 175.900 0.064 0.000 1.129 297 Y CA 0.989 59.098 58.100 0.016 0.000 1.161 297 Y CB -0.373 38.060 38.460 -0.045 0.000 0.997 297 Y HN 0.003 nan 8.280 nan 0.000 0.522 298 F N -0.188 119.764 119.950 0.003 0.000 2.063 298 F HA -0.293 4.227 4.527 -0.013 0.000 0.298 298 F C 2.536 178.193 175.800 -0.238 0.000 1.109 298 F CA 2.141 60.090 58.000 -0.084 0.000 1.212 298 F CB -1.144 37.954 39.000 0.164 0.000 0.973 298 F HN -0.041 nan 8.300 nan 0.000 0.480 299 V N -0.473 119.409 119.914 -0.055 0.000 2.343 299 V HA -0.215 3.898 4.120 -0.013 0.000 0.247 299 V C 2.194 178.155 176.094 -0.222 0.000 1.051 299 V CA 2.010 64.252 62.300 -0.095 0.000 1.036 299 V CB -0.431 31.528 31.823 0.226 0.000 0.654 299 V HN 0.265 nan 8.190 nan 0.000 0.451 300 V N 0.412 120.198 119.914 -0.214 0.000 2.307 300 V HA -0.164 3.949 4.120 -0.013 0.000 0.245 300 V C 2.813 178.660 176.094 -0.412 0.000 1.045 300 V CA 2.127 64.286 62.300 -0.235 0.000 1.024 300 V CB -1.082 30.661 31.823 -0.133 0.000 0.651 300 V HN 0.649 nan 8.190 nan 0.000 0.449 301 A N -0.146 122.255 122.820 -0.699 0.000 1.873 301 A HA -0.085 4.227 4.320 -0.013 0.000 0.215 301 A C 2.409 179.625 177.584 -0.612 0.000 1.186 301 A CA 2.050 53.663 52.037 -0.707 0.000 0.616 301 A CB -0.823 17.529 19.000 -1.081 0.000 0.823 301 A HN 0.555 nan 8.150 nan 0.000 0.442 302 A N -0.989 121.308 122.820 -0.872 0.000 1.877 302 A HA -0.080 4.233 4.320 -0.013 0.000 0.216 302 A C 2.317 179.427 177.584 -0.790 0.000 1.186 302 A CA 2.321 53.653 52.037 -1.176 0.000 0.620 302 A CB -1.317 16.296 19.000 -2.311 0.000 0.822 302 A HN 0.427 nan 8.150 nan 0.000 0.443 303 T N 0.259 114.499 114.554 -0.524 0.000 2.708 303 T HA -0.120 4.222 4.350 -0.013 0.000 0.266 303 T C 1.743 176.199 174.700 -0.407 0.000 1.037 303 T CA 1.604 63.522 62.100 -0.304 0.000 1.146 303 T CB -0.344 68.349 68.868 -0.293 0.000 0.865 303 T HN 0.206 nan 8.240 nan 0.000 0.435 304 L N 1.148 122.170 121.223 -0.336 0.000 2.083 304 L HA -0.065 4.267 4.340 -0.013 0.000 0.209 304 L C 2.638 179.398 176.870 -0.184 0.000 1.083 304 L CA 1.580 56.267 54.840 -0.255 0.000 0.752 304 L CB -0.837 41.111 42.059 -0.185 0.000 0.899 304 L HN 0.311 nan 8.230 nan 0.000 0.433 305 Q N -0.991 118.701 119.800 -0.180 0.000 2.084 305 Q HA -0.245 4.087 4.340 -0.013 0.000 0.202 305 Q C 1.842 177.813 176.000 -0.048 0.000 0.978 305 Q CA 1.663 57.408 55.803 -0.096 0.000 0.844 305 Q CB -0.166 28.503 28.738 -0.115 0.000 0.898 305 Q HN 0.435 nan 8.270 nan 0.000 0.426 306 D N 0.456 120.822 120.400 -0.057 0.000 2.117 306 D HA -0.105 4.528 4.640 -0.013 0.000 0.197 306 D C 1.691 177.930 176.300 -0.101 0.000 0.987 306 D CA 0.860 54.866 54.000 0.010 0.000 0.829 306 D CB -0.044 40.863 40.800 0.179 0.000 0.961 306 D HN 0.165 nan 8.370 nan 0.000 0.460 307 I N 0.118 120.512 120.570 -0.293 0.000 2.179 307 I HA -0.255 3.908 4.170 -0.013 0.000 0.242 307 I C 2.277 178.389 176.117 -0.008 0.000 1.088 307 I CA 0.814 61.880 61.300 -0.391 0.000 1.357 307 I CB -0.158 37.462 38.000 -0.632 0.000 1.051 307 I HN 0.031 nan 8.210 nan 0.000 0.409 308 I N 0.179 120.807 120.570 0.096 0.000 2.252 308 I HA -0.279 3.883 4.170 -0.013 0.000 0.245 308 I C 2.775 179.046 176.117 0.255 0.000 1.102 308 I CA 1.103 62.579 61.300 0.293 0.000 1.385 308 I CB -0.423 37.715 38.000 0.231 0.000 1.064 308 I HN 0.180 nan 8.210 nan 0.000 0.414 309 R N 1.219 121.800 120.500 0.134 0.000 2.094 309 R HA -0.238 4.094 4.340 -0.013 0.000 0.239 309 R C 2.493 178.854 176.300 0.103 0.000 1.137 309 R CA 1.887 58.049 56.100 0.105 0.000 0.943 309 R CB -0.292 30.049 30.300 0.068 0.000 0.850 309 R HN 0.212 nan 8.270 nan 0.000 0.433 310 R N -0.703 119.855 120.500 0.097 0.000 2.096 310 R HA -0.159 4.174 4.340 -0.013 0.000 0.235 310 R C 2.195 178.577 176.300 0.136 0.000 1.127 310 R CA 1.651 57.813 56.100 0.103 0.000 0.968 310 R CB -0.341 30.012 30.300 0.088 0.000 0.861 310 R HN 0.291 nan 8.270 nan 0.000 0.440 311 F N 1.392 121.361 119.950 0.032 0.000 2.146 311 F HA -0.115 4.405 4.527 -0.013 0.000 0.298 311 F C 1.680 177.474 175.800 -0.009 0.000 1.096 311 F CA 1.507 59.514 58.000 0.011 0.000 1.275 311 F CB 0.064 39.106 39.000 0.071 0.000 1.008 311 F HN -0.154 nan 8.300 nan 0.000 0.480 312 K N -0.379 119.970 120.400 -0.086 0.000 2.217 312 K HA -0.009 4.303 4.320 -0.013 0.000 0.202 312 K C 1.524 178.026 176.600 -0.164 0.000 1.051 312 K CA 1.179 57.344 56.287 -0.204 0.000 0.952 312 K CB -0.200 32.295 32.500 -0.008 0.000 0.736 312 K HN 0.108 nan 8.250 nan 0.000 0.453 313 S N 1.313 116.977 115.700 -0.060 0.000 2.763 313 S HA 0.097 4.559 4.470 -0.013 0.000 0.237 313 S C 0.238 174.834 174.600 -0.007 0.000 0.966 313 S CA -0.268 57.938 58.200 0.009 0.000 1.017 313 S CB 0.126 63.381 63.200 0.091 0.000 0.780 313 S HN 0.126 nan 8.310 nan 0.000 0.476 325 N N 0.826 119.508 118.700 -0.030 0.000 2.521 325 N HA 0.291 5.024 4.740 -0.013 0.000 0.236 325 N C -0.581 174.983 175.510 0.090 0.000 1.067 325 N CA -0.074 53.011 53.050 0.059 0.000 0.939 325 N CB 0.199 38.713 38.487 0.044 0.000 1.201 325 N HN 0.154 nan 8.380 nan 0.000 0.511 326 F N 1.636 121.696 119.950 0.184 0.000 2.797 326 F HA 0.107 4.626 4.527 -0.013 0.000 0.302 326 F C 1.375 177.239 175.800 0.107 0.000 1.130 326 F CA -0.101 57.984 58.000 0.140 0.000 1.387 326 F CB 0.378 39.341 39.000 -0.061 0.000 1.107 326 F HN 0.439 nan 8.300 nan 0.000 0.577 327 D N 0.547 121.086 120.400 0.231 0.000 2.149 327 D HA -0.180 4.453 4.640 -0.013 0.000 0.198 327 D C 2.183 178.573 176.300 0.151 0.000 0.990 327 D CA 1.350 55.443 54.000 0.155 0.000 0.839 327 D CB -0.129 40.737 40.800 0.111 0.000 0.948 327 D HN 0.231 nan 8.370 nan 0.000 0.460 328 A N -0.836 122.102 122.820 0.196 0.000 2.251 328 A HA 0.104 4.416 4.320 -0.013 0.000 0.209 328 A C 1.577 179.275 177.584 0.190 0.000 1.187 328 A CA -0.267 51.882 52.037 0.188 0.000 0.823 328 A CB -0.766 18.351 19.000 0.196 0.000 0.846 328 A HN 0.206 nan 8.150 nan 0.000 0.486 329 F N 1.935 121.839 119.950 -0.075 0.000 2.065 329 F HA -0.149 4.371 4.527 -0.012 0.000 0.298 329 F C -0.746 174.936 175.800 -0.197 0.000 1.112 329 F CA 2.632 60.371 58.000 -0.435 0.000 1.212 329 F CB -0.625 38.126 39.000 -0.416 0.000 0.975 329 F HN 0.200 nan 8.300 nan 0.000 0.476 330 P HA -0.104 nan 4.420 nan 0.000 0.225 330 P C 0.756 178.016 177.300 -0.067 0.000 1.148 330 P CA 1.505 64.581 63.100 -0.039 0.000 0.779 330 P CB -0.085 31.615 31.700 -0.001 0.000 0.780 331 D N -0.821 119.560 120.400 -0.032 0.000 2.317 331 D HA -0.046 4.587 4.640 -0.013 0.000 0.211 331 D C 1.524 177.808 176.300 -0.026 0.000 0.966 331 D CA 0.953 54.946 54.000 -0.013 0.000 0.876 331 D CB 0.075 40.888 40.800 0.022 0.000 0.927 331 D HN 0.159 nan 8.370 nan 0.000 0.519 332 K N -0.085 120.275 120.400 -0.066 0.000 2.412 332 K HA 0.208 4.520 4.320 -0.013 0.000 0.202 332 K C -0.106 176.408 176.600 -0.144 0.000 1.102 332 K CA 0.084 56.342 56.287 -0.049 0.000 1.027 332 K CB 2.372 34.944 32.500 0.120 0.000 0.931 332 K HN -0.067 nan 8.250 nan 0.000 0.557 333 V N 1.121 120.866 119.914 -0.282 0.000 2.623 333 V HA 0.584 4.697 4.120 -0.013 0.000 0.304 333 V C -1.072 174.936 176.094 -0.144 0.000 1.054 333 V CA -1.244 60.890 62.300 -0.277 0.000 0.882 333 V CB 1.792 33.167 31.823 -0.747 0.000 1.002 333 V HN 0.119 nan 8.190 nan 0.000 0.424 334 A N 5.816 128.600 122.820 -0.059 0.000 2.343 334 A HA 0.929 5.241 4.320 -0.013 0.000 0.316 334 A C -0.924 176.686 177.584 0.043 0.000 1.104 334 A CA -0.498 51.535 52.037 -0.007 0.000 0.768 334 A CB 0.956 19.908 19.000 -0.080 0.000 1.213 334 A HN 0.772 nan 8.150 nan 0.000 0.456 335 I N 1.802 122.438 120.570 0.110 0.000 2.382 335 I HA 0.306 4.469 4.170 -0.013 0.000 0.286 335 I C -0.296 175.911 176.117 0.150 0.000 1.002 335 I CA -0.533 60.843 61.300 0.126 0.000 1.135 335 I CB 1.925 39.978 38.000 0.089 0.000 1.288 335 I HN 0.696 nan 8.210 nan 0.000 0.448 336 Q N 6.774 126.659 119.800 0.143 0.000 2.314 336 Q HA 0.511 4.844 4.340 -0.013 0.000 0.259 336 Q C -1.349 174.644 176.000 -0.012 0.000 0.951 336 Q CA -0.276 55.633 55.803 0.177 0.000 0.909 336 Q CB 1.362 30.313 28.738 0.354 0.000 1.236 336 Q HN 0.574 nan 8.270 nan 0.000 0.444 337 L N 3.841 125.098 121.223 0.058 0.000 2.261 337 L HA 0.395 4.728 4.340 -0.013 0.000 0.289 337 L C 0.020 176.911 176.870 0.036 0.000 1.059 337 L CA -0.742 54.126 54.840 0.046 0.000 0.816 337 L CB 0.639 42.781 42.059 0.137 0.000 1.191 337 L HN 0.572 nan 8.230 nan 0.000 0.431 338 N N 3.558 122.201 118.700 -0.097 0.000 2.448 338 N HA 0.101 4.833 4.740 -0.013 0.000 0.250 338 N C -0.235 175.297 175.510 0.037 0.000 1.136 338 N CA 0.450 53.497 53.050 -0.004 0.000 0.953 338 N CB -0.053 38.365 38.487 -0.115 0.000 1.251 338 N HN 0.655 nan 8.380 nan 0.000 0.502 339 D N -0.443 120.069 120.400 0.187 0.000 4.658 339 D HA -0.240 4.392 4.640 -0.013 0.000 0.304 339 D C 0.432 176.826 176.300 0.156 0.000 2.363 339 D CA 1.790 55.872 54.000 0.138 0.000 1.179 339 D CB -0.378 40.226 40.800 -0.327 0.000 1.091 339 D HN 0.503 nan 8.370 nan 0.000 1.274 340 T N -2.975 111.613 114.554 0.056 0.000 3.129 340 T HA 0.092 4.435 4.350 -0.013 0.000 0.251 340 T C 1.504 176.278 174.700 0.122 0.000 1.117 340 T CA 1.467 63.584 62.100 0.028 0.000 1.034 340 T CB -0.489 68.364 68.868 -0.026 0.000 0.968 340 T HN 0.527 nan 8.240 nan 0.000 0.526 341 H N 2.613 121.771 119.070 0.147 0.000 2.352 341 H HA -0.003 4.546 4.556 -0.013 0.000 0.299 341 H C -0.887 174.530 175.328 0.149 0.000 1.097 341 H CA 0.990 57.139 56.048 0.168 0.000 1.311 341 H CB -0.917 28.945 29.762 0.167 0.000 1.377 341 H HN 0.439 nan 8.280 nan 0.000 0.504 342 P HA 0.076 nan 4.420 nan 0.000 0.254 342 P C 0.709 178.057 177.300 0.080 0.000 1.620 342 P CA 0.325 63.509 63.100 0.140 0.000 1.050 342 P CB 0.258 32.029 31.700 0.119 0.000 1.539 343 S N -0.231 115.510 115.700 0.067 0.000 2.419 343 S HA -0.141 4.321 4.470 -0.013 0.000 0.235 343 S C 1.741 176.346 174.600 0.007 0.000 1.019 343 S CA 0.841 59.041 58.200 -0.001 0.000 0.982 343 S CB -1.501 61.675 63.200 -0.040 0.000 0.789 343 S HN 0.163 nan 8.310 nan 0.000 0.490 344 L N 1.048 122.291 121.223 0.032 0.000 2.450 344 L HA 0.005 4.337 4.340 -0.013 0.000 0.224 344 L C 2.918 179.826 176.870 0.063 0.000 1.149 344 L CA 0.612 55.474 54.840 0.037 0.000 0.816 344 L CB -0.779 41.303 42.059 0.040 0.000 0.932 344 L HN 0.468 nan 8.230 nan 0.000 0.449 345 A N 0.612 123.450 122.820 0.030 0.000 1.940 345 A HA -0.210 4.102 4.320 -0.013 0.000 0.219 345 A C 2.173 179.758 177.584 0.001 0.000 1.176 345 A CA 1.574 53.614 52.037 0.005 0.000 0.631 345 A CB -0.474 18.521 19.000 -0.009 0.000 0.814 345 A HN 0.373 nan 8.150 nan 0.000 0.446 346 I N 0.277 120.849 120.570 0.003 0.000 2.090 346 I HA -0.150 4.013 4.170 -0.013 0.000 0.236 346 I C -0.337 175.799 176.117 0.031 0.000 1.064 346 I CA 1.633 62.932 61.300 -0.002 0.000 1.324 346 I CB -1.015 36.986 38.000 0.001 0.000 1.044 346 I HN 0.243 nan 8.210 nan 0.000 0.399 347 P HA -0.171 nan 4.420 nan 0.000 0.221 347 P C 1.278 178.607 177.300 0.048 0.000 1.150 347 P CA 1.483 64.621 63.100 0.063 0.000 0.800 347 P CB 0.027 31.786 31.700 0.099 0.000 0.787 348 E N 0.229 120.521 120.200 0.154 0.000 2.072 348 E HA -0.153 4.189 4.350 -0.013 0.000 0.191 348 E C 1.922 178.512 176.600 -0.016 0.000 0.985 348 E CA 0.696 57.199 56.400 0.172 0.000 0.801 348 E CB -1.201 28.648 29.700 0.248 0.000 0.750 348 E HN -0.006 nan 8.360 nan 0.000 0.452 349 L N -0.016 121.167 121.223 -0.067 0.000 2.046 349 L HA -0.108 4.224 4.340 -0.013 0.000 0.208 349 L C 2.101 178.832 176.870 -0.232 0.000 1.077 349 L CA 1.756 56.497 54.840 -0.166 0.000 0.747 349 L CB -0.579 41.382 42.059 -0.163 0.000 0.896 349 L HN 0.244 nan 8.230 nan 0.000 0.432 350 M N -0.819 118.660 119.600 -0.201 0.000 2.080 350 M HA -0.228 4.245 4.480 -0.013 0.000 0.260 350 M C 2.431 178.572 176.300 -0.266 0.000 1.068 350 M CA 1.586 56.717 55.300 -0.283 0.000 1.109 350 M CB -1.227 31.194 32.600 -0.298 0.000 1.342 350 M HN 0.328 nan 8.290 nan 0.000 0.405 351 R N 0.064 120.434 120.500 -0.217 0.000 2.080 351 R HA -0.145 4.188 4.340 -0.013 0.000 0.236 351 R C 2.075 178.274 176.300 -0.167 0.000 1.137 351 R CA 1.847 57.821 56.100 -0.209 0.000 0.943 351 R CB -0.242 29.882 30.300 -0.293 0.000 0.846 351 R HN 0.218 nan 8.270 nan 0.000 0.431 352 V N 1.469 121.283 119.914 -0.165 0.000 2.295 352 V HA -0.261 3.852 4.120 -0.013 0.000 0.246 352 V C 2.421 178.359 176.094 -0.260 0.000 1.049 352 V CA 1.783 63.979 62.300 -0.173 0.000 1.024 352 V CB -0.434 31.288 31.823 -0.169 0.000 0.648 352 V HN 0.351 nan 8.190 nan 0.000 0.447 353 L N -0.637 120.368 121.223 -0.362 0.000 2.093 353 L HA -0.118 4.214 4.340 -0.013 0.000 0.208 353 L C 2.375 179.063 176.870 -0.303 0.000 1.085 353 L CA 1.068 55.627 54.840 -0.469 0.000 0.755 353 L CB -0.557 41.173 42.059 -0.548 0.000 0.904 353 L HN 0.213 nan 8.230 nan 0.000 0.435 354 V N -0.700 119.080 119.914 -0.223 0.000 2.331 354 V HA -0.158 3.955 4.120 -0.013 0.000 0.242 354 V C 1.895 177.949 176.094 -0.067 0.000 1.034 354 V CA 1.573 63.803 62.300 -0.116 0.000 1.027 354 V CB -0.297 31.488 31.823 -0.062 0.000 0.667 354 V HN 0.335 nan 8.190 nan 0.000 0.457 355 D N -0.110 120.246 120.400 -0.075 0.000 2.194 355 D HA 0.023 4.656 4.640 -0.013 0.000 0.204 355 D C 1.984 178.259 176.300 -0.041 0.000 0.964 355 D CA 1.091 55.065 54.000 -0.043 0.000 0.846 355 D CB 0.176 40.949 40.800 -0.044 0.000 0.962 355 D HN 0.335 nan 8.370 nan 0.000 0.490 356 L N 0.098 121.282 121.223 -0.066 0.000 2.362 356 L HA 0.140 4.472 4.340 -0.013 0.000 0.204 356 L C 1.855 178.697 176.870 -0.047 0.000 1.060 356 L CA 0.390 55.202 54.840 -0.047 0.000 0.827 356 L CB 0.104 42.136 42.059 -0.045 0.000 1.027 356 L HN -0.212 nan 8.230 nan 0.000 0.474 357 E N 0.474 120.613 120.200 -0.102 0.000 2.442 357 E HA 0.030 4.373 4.350 -0.013 0.000 0.195 357 E C 0.076 176.642 176.600 -0.057 0.000 1.030 357 E CA -0.012 56.336 56.400 -0.088 0.000 0.869 357 E CB 0.349 29.890 29.700 -0.265 0.000 0.857 357 E HN 0.200 nan 8.360 nan 0.000 0.505 358 R N -0.322 120.139 120.500 -0.065 0.000 3.656 358 R HA -0.179 4.153 4.340 -0.013 0.000 0.297 358 R C -0.359 175.926 176.300 -0.025 0.000 1.166 358 R CA 0.231 56.315 56.100 -0.027 0.000 0.799 358 R CB -2.880 27.422 30.300 0.004 0.000 1.285 358 R HN 0.083 nan 8.270 nan 0.000 0.477 359 L N 2.365 123.543 121.223 -0.074 0.000 2.436 359 L HA 0.134 4.467 4.340 -0.013 0.000 0.265 359 L C 1.484 178.345 176.870 -0.015 0.000 1.168 359 L CA 0.281 55.086 54.840 -0.058 0.000 0.815 359 L CB 0.389 42.363 42.059 -0.142 0.000 1.109 359 L HN 0.140 nan 8.230 nan 0.000 0.462 360 D N 1.164 121.580 120.400 0.027 0.000 2.382 360 D HA -0.150 4.483 4.640 -0.013 0.000 0.240 360 D C 0.919 177.285 176.300 0.111 0.000 1.146 360 D CA -0.498 53.552 54.000 0.084 0.000 0.897 360 D CB 0.733 41.587 40.800 0.090 0.000 1.197 360 D HN 0.626 nan 8.370 nan 0.000 0.432 361 W N 2.108 123.409 121.300 0.002 0.000 2.317 361 W HA -0.227 4.425 4.660 -0.012 0.000 0.318 361 W C 1.052 177.612 176.519 0.069 0.000 1.227 361 W CA 1.866 59.218 57.345 0.013 0.000 1.269 361 W CB -0.242 29.206 29.460 -0.020 0.000 1.155 361 W HN 0.465 nan 8.180 nan 0.000 0.484 362 D N 0.305 120.898 120.400 0.321 0.000 2.117 362 D HA -0.198 4.434 4.640 -0.013 0.000 0.197 362 D C 1.885 178.283 176.300 0.162 0.000 0.987 362 D CA 1.910 56.073 54.000 0.272 0.000 0.829 362 D CB -0.400 40.533 40.800 0.221 0.000 0.961 362 D HN 0.091 nan 8.370 nan 0.000 0.460 363 K N 1.251 121.706 120.400 0.090 0.000 2.025 363 K HA 0.011 4.324 4.320 -0.013 0.000 0.207 363 K C 1.863 178.448 176.600 -0.025 0.000 1.049 363 K CA 1.441 57.753 56.287 0.042 0.000 0.933 363 K CB -0.559 31.962 32.500 0.035 0.000 0.714 363 K HN -0.009 nan 8.250 nan 0.000 0.438 364 A N 0.655 123.417 122.820 -0.097 0.000 1.908 364 A HA -0.198 4.114 4.320 -0.013 0.000 0.218 364 A C 2.257 179.736 177.584 -0.176 0.000 1.181 364 A CA 1.570 53.479 52.037 -0.213 0.000 0.627 364 A CB -1.219 17.589 19.000 -0.319 0.000 0.818 364 A HN 0.707 nan 8.150 nan 0.000 0.445 365 W N 0.556 121.640 121.300 -0.361 0.000 2.381 365 W HA -0.155 4.497 4.660 -0.012 0.000 0.301 365 W C 2.006 178.460 176.519 -0.109 0.000 1.205 365 W CA 1.748 58.930 57.345 -0.272 0.000 1.285 365 W CB -0.135 29.197 29.460 -0.214 0.000 1.133 365 W HN 0.612 nan 8.180 nan 0.000 0.521 366 E N 0.147 120.331 120.200 -0.026 0.000 2.058 366 E HA -0.232 4.111 4.350 -0.013 0.000 0.194 366 E C 2.041 178.559 176.600 -0.137 0.000 0.997 366 E CA 1.945 58.297 56.400 -0.081 0.000 0.801 366 E CB -0.305 29.408 29.700 0.021 0.000 0.746 366 E HN 0.058 nan 8.360 nan 0.000 0.450 367 V N 0.686 120.532 119.914 -0.113 0.000 2.295 367 V HA -0.258 3.854 4.120 -0.013 0.000 0.246 367 V C 2.394 178.412 176.094 -0.127 0.000 1.049 367 V CA 2.194 64.443 62.300 -0.086 0.000 1.024 367 V CB -0.744 31.017 31.823 -0.103 0.000 0.648 367 V HN 0.389 nan 8.190 nan 0.000 0.447 368 T N 0.030 114.436 114.554 -0.247 0.000 2.674 368 T HA -0.182 4.160 4.350 -0.013 0.000 0.265 368 T C 1.957 176.466 174.700 -0.319 0.000 1.039 368 T CA 1.778 63.706 62.100 -0.286 0.000 1.150 368 T CB -0.321 68.328 68.868 -0.365 0.000 0.864 368 T HN 0.269 nan 8.240 nan 0.000 0.427 369 V N 1.486 121.086 119.914 -0.523 0.000 2.287 369 V HA -0.206 3.907 4.120 -0.013 0.000 0.248 369 V C 2.352 178.387 176.094 -0.097 0.000 1.053 369 V CA 1.715 63.770 62.300 -0.408 0.000 1.027 369 V CB -0.513 31.004 31.823 -0.511 0.000 0.646 369 V HN 0.466 nan 8.190 nan 0.000 0.447 370 K N -0.596 119.737 120.400 -0.111 0.000 2.362 370 K HA -0.076 4.236 4.320 -0.013 0.000 0.200 370 K C 2.028 178.598 176.600 -0.051 0.000 1.046 370 K CA 1.421 57.633 56.287 -0.124 0.000 0.952 370 K CB -0.158 32.267 32.500 -0.125 0.000 0.753 370 K HN 0.492 nan 8.250 nan 0.000 0.466 371 T N -0.026 114.554 114.554 0.043 0.000 3.010 371 T HA 0.038 4.380 4.350 -0.013 0.000 0.252 371 T C 0.813 175.614 174.700 0.168 0.000 1.047 371 T CA 0.330 62.493 62.100 0.104 0.000 1.140 371 T CB 0.159 69.125 68.868 0.163 0.000 0.885 371 T HN 0.154 nan 8.240 nan 0.000 0.464 372 C N 2.515 121.899 119.300 0.139 0.000 2.365 372 C HA 0.888 5.340 4.460 -0.013 0.000 0.351 372 C C 0.573 175.624 174.990 0.103 0.000 1.240 372 C CA -1.249 57.834 59.018 0.107 0.000 2.062 372 C CB 0.031 27.774 27.740 0.005 0.000 2.387 372 C HN 0.587 nan 8.230 nan 0.000 0.537 373 A N 2.302 125.179 122.820 0.095 0.000 2.475 373 A HA 0.780 5.093 4.320 -0.013 0.000 0.301 373 A C -1.545 176.112 177.584 0.122 0.000 1.059 373 A CA -0.429 51.612 52.037 0.007 0.000 0.710 373 A CB 1.078 20.089 19.000 0.019 0.000 1.288 373 A HN 0.946 nan 8.150 nan 0.000 0.408 374 Y N 1.055 121.305 120.300 -0.083 0.000 2.391 374 Y HA 0.621 5.164 4.550 -0.012 0.000 0.341 374 Y C -0.555 175.326 175.900 -0.031 0.000 0.965 374 Y CA -0.319 57.743 58.100 -0.063 0.000 1.067 374 Y CB 2.056 40.435 38.460 -0.135 0.000 1.199 374 Y HN 0.561 nan 8.280 nan 0.000 0.450 375 T N 6.590 120.916 114.554 -0.379 0.000 2.756 375 T HA 0.173 4.515 4.350 -0.013 0.000 0.290 375 T C -0.662 173.595 174.700 -0.740 0.000 0.985 375 T CA -0.754 61.079 62.100 -0.445 0.000 0.955 375 T CB 0.309 69.147 68.868 -0.050 0.000 0.930 375 T HN 0.645 nan 8.240 nan 0.000 0.451 376 N N 1.886 120.139 118.700 -0.744 0.000 2.499 376 N HA 0.102 4.835 4.740 -0.013 0.000 0.281 376 N C 0.203 175.627 175.510 -0.144 0.000 1.098 376 N CA -0.243 52.617 53.050 -0.316 0.000 0.979 376 N CB 0.735 39.206 38.487 -0.026 0.000 1.121 376 N HN 0.649 nan 8.380 nan 0.000 0.466 377 H N 0.995 120.098 119.070 0.055 0.000 2.827 377 H HA 0.149 4.697 4.556 -0.013 0.000 0.269 377 H C -0.133 175.121 175.328 -0.123 0.000 1.031 377 H CA 0.201 56.232 56.048 -0.028 0.000 1.202 377 H CB 1.151 30.902 29.762 -0.019 0.000 1.511 377 H HN 0.540 nan 8.280 nan 0.000 0.517 378 T N 0.016 114.613 114.554 0.072 0.000 2.893 378 T HA 0.191 4.533 4.350 -0.013 0.000 0.337 378 T C 0.506 175.257 174.700 0.086 0.000 1.587 378 T CA -0.332 61.763 62.100 -0.010 0.000 1.066 378 T CB 1.167 70.007 68.868 -0.048 0.000 1.414 378 T HN -0.055 nan 8.240 nan 0.000 0.488 379 V N 2.066 121.997 119.914 0.029 0.000 3.621 379 V HA 0.545 4.657 4.120 -0.013 0.000 0.285 379 V C 0.716 176.781 176.094 -0.048 0.000 1.346 379 V CA 0.132 62.422 62.300 -0.016 0.000 1.104 379 V CB -0.594 31.212 31.823 -0.028 0.000 0.913 379 V HN 0.688 nan 8.190 nan 0.000 0.432 380 L N 2.803 123.988 121.223 -0.063 0.000 2.477 380 L HA 0.229 4.562 4.340 -0.013 0.000 0.272 380 L C -0.605 176.266 176.870 0.002 0.000 1.157 380 L CA -1.129 53.687 54.840 -0.041 0.000 0.889 380 L CB 0.646 42.646 42.059 -0.098 0.000 1.158 380 L HN 0.119 nan 8.230 nan 0.000 0.473 381 P HA -0.214 nan 4.420 nan 0.000 0.216 381 P C 0.895 178.209 177.300 0.023 0.000 1.150 381 P CA 1.297 64.402 63.100 0.009 0.000 0.843 381 P CB 0.063 31.772 31.700 0.015 0.000 0.787 382 E N 0.026 120.272 120.200 0.078 0.000 2.478 382 E HA -0.016 4.327 4.350 -0.013 0.000 0.198 382 E C 1.634 178.258 176.600 0.040 0.000 1.046 382 E CA 0.940 57.397 56.400 0.094 0.000 0.870 382 E CB -0.809 29.058 29.700 0.279 0.000 0.818 382 E HN 0.231 nan 8.360 nan 0.000 0.527 383 A N 1.243 124.104 122.820 0.068 0.000 2.195 383 A HA 0.211 4.524 4.320 -0.013 0.000 0.210 383 A C 1.267 178.857 177.584 0.010 0.000 1.165 383 A CA -0.279 51.807 52.037 0.080 0.000 0.806 383 A CB -0.047 19.019 19.000 0.111 0.000 0.847 383 A HN 0.122 nan 8.150 nan 0.000 0.482 384 L N 1.657 122.840 121.223 -0.066 0.000 2.360 384 L HA 0.151 4.483 4.340 -0.013 0.000 0.276 384 L C -0.172 176.391 176.870 -0.511 0.000 1.121 384 L CA -0.127 54.612 54.840 -0.169 0.000 0.845 384 L CB 0.524 42.512 42.059 -0.118 0.000 1.143 384 L HN 0.336 nan 8.230 nan 0.000 0.452 385 E N 4.528 124.331 120.200 -0.661 0.000 2.166 385 E HA 0.192 4.535 4.350 -0.013 0.000 0.279 385 E C -0.507 175.462 176.600 -1.052 0.000 1.095 385 E CA -0.091 55.470 56.400 -1.399 0.000 0.888 385 E CB 0.663 29.909 29.700 -0.757 0.000 1.041 385 E HN 0.401 nan 8.360 nan 0.000 0.414 386 R N 3.642 123.370 120.500 -1.286 0.000 2.472 386 R HA 0.197 4.530 4.340 -0.013 0.000 0.294 386 R C -1.262 174.850 176.300 -0.315 0.000 1.243 386 R CA -0.519 55.268 56.100 -0.522 0.000 1.023 386 R CB 0.829 30.961 30.300 -0.281 0.000 1.157 386 R HN 0.444 nan 8.270 nan 0.000 0.530 387 W N 4.681 125.920 121.300 -0.103 0.000 2.322 387 W HA 0.284 4.936 4.660 -0.013 0.000 0.307 387 W C -1.886 174.610 176.519 -0.039 0.000 1.220 387 W CA -2.188 55.164 57.345 0.011 0.000 1.210 387 W CB 0.864 30.307 29.460 -0.028 0.000 1.223 387 W HN 0.262 nan 8.180 nan 0.000 0.511 388 P HA -0.107 nan 4.420 nan 0.000 0.262 388 P C 0.839 178.095 177.300 -0.073 0.000 1.182 388 P CA 0.286 63.379 63.100 -0.011 0.000 0.761 388 P CB 0.730 32.272 31.700 -0.263 0.000 0.795 389 V N 3.405 123.324 119.914 0.008 0.000 2.392 389 V HA -0.295 3.818 4.120 -0.013 0.000 0.249 389 V C 2.170 178.273 176.094 0.015 0.000 1.059 389 V CA 2.610 64.928 62.300 0.031 0.000 1.051 389 V CB -1.658 30.241 31.823 0.127 0.000 0.658 389 V HN 0.770 nan 8.190 nan 0.000 0.455 390 H N -0.963 118.164 119.070 0.094 0.000 2.421 390 H HA -0.100 4.449 4.556 -0.012 0.000 0.298 390 H C 1.994 177.369 175.328 0.079 0.000 1.087 390 H CA 1.729 57.827 56.048 0.085 0.000 1.330 390 H CB -0.647 29.166 29.762 0.085 0.000 1.388 390 H HN 0.360 nan 8.280 nan 0.000 0.526 391 L N -0.017 121.036 121.223 -0.282 0.000 2.027 391 L HA -0.107 4.226 4.340 -0.013 0.000 0.206 391 L C 2.440 179.258 176.870 -0.087 0.000 1.074 391 L CA 1.104 55.883 54.840 -0.102 0.000 0.745 391 L CB -0.306 41.686 42.059 -0.111 0.000 0.898 391 L HN 0.321 nan 8.230 nan 0.000 0.433 392 L N -0.625 120.524 121.223 -0.123 0.000 2.093 392 L HA -0.201 4.132 4.340 -0.013 0.000 0.208 392 L C 2.494 179.299 176.870 -0.108 0.000 1.085 392 L CA 0.973 55.715 54.840 -0.164 0.000 0.755 392 L CB -0.402 41.547 42.059 -0.184 0.000 0.904 392 L HN 0.298 nan 8.230 nan 0.000 0.435 393 E N -0.260 119.920 120.200 -0.034 0.000 2.085 393 E HA -0.219 4.124 4.350 -0.013 0.000 0.194 393 E C 1.907 178.541 176.600 0.058 0.000 0.994 393 E CA 1.981 58.393 56.400 0.020 0.000 0.801 393 E CB 0.147 29.899 29.700 0.086 0.000 0.743 393 E HN 0.407 nan 8.360 nan 0.000 0.453 394 T N 0.471 115.081 114.554 0.094 0.000 2.852 394 T HA -0.058 4.285 4.350 -0.013 0.000 0.256 394 T C 1.704 176.513 174.700 0.183 0.000 1.038 394 T CA 0.708 62.916 62.100 0.179 0.000 1.141 394 T CB -0.110 68.896 68.868 0.230 0.000 0.869 394 T HN 0.073 nan 8.240 nan 0.000 0.439 395 L N -0.015 121.213 121.223 0.009 0.000 2.162 395 L HA 0.361 4.694 4.340 -0.013 0.000 0.205 395 L C 0.371 177.184 176.870 -0.095 0.000 1.086 395 L CA 1.546 56.273 54.840 -0.187 0.000 0.778 395 L CB 0.079 41.987 42.059 -0.251 0.000 0.928 395 L HN 0.163 nan 8.230 nan 0.000 0.446 396 L N 0.684 121.810 121.223 -0.161 0.000 2.551 396 L HA 0.291 4.624 4.340 -0.013 0.000 0.248 396 L C -1.730 174.955 176.870 -0.308 0.000 1.509 396 L CA -0.928 53.726 54.840 -0.311 0.000 0.842 396 L CB 0.938 42.666 42.059 -0.552 0.000 1.087 396 L HN -0.056 nan 8.230 nan 0.000 0.512 397 P HA -0.178 nan 4.420 nan 0.000 0.217 397 P C 1.451 178.552 177.300 -0.332 0.000 1.150 397 P CA 1.050 64.023 63.100 -0.211 0.000 0.832 397 P CB 0.386 32.037 31.700 -0.081 0.000 0.787 398 R N -0.124 119.992 120.500 -0.639 0.000 2.090 398 R HA -0.126 4.207 4.340 -0.013 0.000 0.228 398 R C 2.265 178.256 176.300 -0.514 0.000 1.110 398 R CA 1.615 57.347 56.100 -0.612 0.000 0.973 398 R CB -1.643 28.126 30.300 -0.884 0.000 0.869 398 R HN 0.243 nan 8.270 nan 0.000 0.440 399 H N -0.543 118.213 119.070 -0.524 0.000 2.353 399 H HA -0.072 4.477 4.556 -0.013 0.000 0.300 399 H C 1.595 176.747 175.328 -0.294 0.000 1.090 399 H CA 1.590 57.416 56.048 -0.370 0.000 1.327 399 H CB -0.215 29.293 29.762 -0.422 0.000 1.383 399 H HN 0.105 nan 8.280 nan 0.000 0.508 400 L N 0.931 122.023 121.223 -0.218 0.000 2.046 400 L HA -0.215 4.117 4.340 -0.013 0.000 0.208 400 L C 1.932 178.583 176.870 -0.364 0.000 1.077 400 L CA 1.683 56.317 54.840 -0.343 0.000 0.747 400 L CB -0.528 41.338 42.059 -0.322 0.000 0.896 400 L HN 0.288 nan 8.230 nan 0.000 0.432 401 Q N -0.702 119.002 119.800 -0.161 0.000 2.084 401 Q HA -0.213 4.119 4.340 -0.013 0.000 0.202 401 Q C 2.306 178.318 176.000 0.021 0.000 0.978 401 Q CA 2.073 57.879 55.803 0.005 0.000 0.844 401 Q CB -0.271 28.480 28.738 0.022 0.000 0.898 401 Q HN 0.563 nan 8.270 nan 0.000 0.426 402 I N 0.399 120.962 120.570 -0.013 0.000 2.252 402 I HA -0.271 3.891 4.170 -0.013 0.000 0.245 402 I C 2.145 178.332 176.117 0.117 0.000 1.102 402 I CA 1.030 62.404 61.300 0.123 0.000 1.385 402 I CB -0.140 37.890 38.000 0.049 0.000 1.064 402 I HN 0.187 nan 8.210 nan 0.000 0.414 403 I N -0.507 120.051 120.570 -0.018 0.000 2.226 403 I HA -0.320 3.843 4.170 -0.013 0.000 0.245 403 I C 2.379 178.513 176.117 0.029 0.000 1.100 403 I CA 1.408 62.688 61.300 -0.034 0.000 1.374 403 I CB -0.386 37.528 38.000 -0.142 0.000 1.057 403 I HN 0.158 nan 8.210 nan 0.000 0.413 404 Y N 0.824 121.128 120.300 0.007 0.000 2.181 404 Y HA -0.274 4.268 4.550 -0.012 0.000 0.288 404 Y C 2.608 178.475 175.900 -0.055 0.000 1.146 404 Y CA 1.537 59.627 58.100 -0.015 0.000 1.164 404 Y CB -0.786 37.657 38.460 -0.028 0.000 0.982 404 Y HN 0.198 nan 8.280 nan 0.000 0.515 405 E N 0.350 120.590 120.200 0.067 0.000 2.072 405 E HA -0.133 4.210 4.350 -0.013 0.000 0.191 405 E C 2.084 178.606 176.600 -0.130 0.000 0.985 405 E CA 1.197 57.499 56.400 -0.164 0.000 0.801 405 E CB -0.535 28.891 29.700 -0.456 0.000 0.750 405 E HN 0.464 nan 8.360 nan 0.000 0.452 406 I N 0.764 121.356 120.570 0.036 0.000 2.163 406 I HA -0.308 3.854 4.170 -0.013 0.000 0.243 406 I C 2.283 178.407 176.117 0.012 0.000 1.085 406 I CA 1.451 62.725 61.300 -0.044 0.000 1.347 406 I CB -0.427 37.549 38.000 -0.039 0.000 1.044 406 I HN 0.211 nan 8.210 nan 0.000 0.408 407 N N 0.682 119.434 118.700 0.087 0.000 2.084 407 N HA -0.268 4.465 4.740 -0.013 0.000 0.190 407 N C 1.866 177.463 175.510 0.144 0.000 1.030 407 N CA 1.582 54.731 53.050 0.166 0.000 0.849 407 N CB -0.165 38.437 38.487 0.191 0.000 1.012 407 N HN 0.333 nan 8.380 nan 0.000 0.423 408 Q N -0.018 119.813 119.800 0.052 0.000 2.050 408 Q HA -0.126 4.207 4.340 -0.013 0.000 0.202 408 Q C 2.045 178.035 176.000 -0.018 0.000 0.980 408 Q CA 1.420 57.219 55.803 -0.006 0.000 0.840 408 Q CB -0.005 28.689 28.738 -0.073 0.000 0.898 408 Q HN 0.364 nan 8.270 nan 0.000 0.424 409 R N -0.693 119.775 120.500 -0.052 0.000 2.092 409 R HA -0.125 4.207 4.340 -0.013 0.000 0.231 409 R C 2.156 178.487 176.300 0.051 0.000 1.119 409 R CA 1.366 57.434 56.100 -0.053 0.000 0.970 409 R CB -0.363 29.855 30.300 -0.137 0.000 0.864 409 R HN 0.275 nan 8.270 nan 0.000 0.440 410 F N 1.387 121.315 119.950 -0.035 0.000 2.102 410 F HA -0.117 4.402 4.527 -0.013 0.000 0.298 410 F C 1.819 177.644 175.800 0.042 0.000 1.105 410 F CA 1.386 59.413 58.000 0.044 0.000 1.239 410 F CB -0.197 38.861 39.000 0.096 0.000 0.991 410 F HN -0.106 nan 8.300 nan 0.000 0.474 411 L N -0.017 121.226 121.223 0.035 0.000 2.191 411 L HA -0.236 4.097 4.340 -0.013 0.000 0.212 411 L C 1.963 178.775 176.870 -0.098 0.000 1.103 411 L CA 1.547 56.345 54.840 -0.070 0.000 0.769 411 L CB -0.878 41.199 42.059 0.030 0.000 0.908 411 L HN 0.262 nan 8.230 nan 0.000 0.438 412 N N -0.245 118.414 118.700 -0.068 0.000 2.166 412 N HA -0.157 4.575 4.740 -0.013 0.000 0.186 412 N C 1.907 177.367 175.510 -0.083 0.000 1.019 412 N CA 0.742 53.753 53.050 -0.065 0.000 0.856 412 N CB 0.013 38.469 38.487 -0.052 0.000 0.993 412 N HN 0.285 nan 8.380 nan 0.000 0.426 413 R N 0.530 120.962 120.500 -0.113 0.000 2.075 413 R HA -0.045 4.288 4.340 -0.013 0.000 0.232 413 R C 2.178 178.383 176.300 -0.158 0.000 1.126 413 R CA 0.878 56.905 56.100 -0.123 0.000 0.963 413 R CB -0.348 29.881 30.300 -0.118 0.000 0.858 413 R HN 0.082 nan 8.270 nan 0.000 0.435 414 V N 1.009 120.777 119.914 -0.243 0.000 2.295 414 V HA -0.243 3.869 4.120 -0.013 0.000 0.246 414 V C 2.438 178.532 176.094 0.001 0.000 1.049 414 V CA 2.004 64.223 62.300 -0.136 0.000 1.024 414 V CB -0.728 30.942 31.823 -0.257 0.000 0.648 414 V HN 0.408 nan 8.190 nan 0.000 0.447 415 A N -0.058 122.735 122.820 -0.045 0.000 1.933 415 A HA -0.087 4.225 4.320 -0.013 0.000 0.218 415 A C 2.373 179.941 177.584 -0.028 0.000 1.175 415 A CA 2.027 54.054 52.037 -0.017 0.000 0.628 415 A CB -0.671 18.310 19.000 -0.032 0.000 0.814 415 A HN 0.577 nan 8.150 nan 0.000 0.444 416 A N -0.550 122.235 122.820 -0.059 0.000 1.968 416 A HA 0.305 4.617 4.320 -0.013 0.000 0.217 416 A C 2.369 179.875 177.584 -0.130 0.000 1.169 416 A CA 1.681 53.672 52.037 -0.076 0.000 0.638 416 A CB -0.655 18.303 19.000 -0.070 0.000 0.812 416 A HN 0.933 nan 8.150 nan 0.000 0.446 417 A N -1.572 121.136 122.820 -0.186 0.000 1.975 417 A HA 0.364 4.676 4.320 -0.013 0.000 0.215 417 A C 0.487 177.675 177.584 -0.660 0.000 1.170 417 A CA 0.552 52.325 52.037 -0.439 0.000 0.656 417 A CB -0.161 18.522 19.000 -0.528 0.000 0.821 417 A HN 0.412 nan 8.150 nan 0.000 0.449 418 F N 0.146 120.050 119.950 -0.077 0.000 2.523 418 F HA 0.345 4.865 4.527 -0.013 0.000 0.322 418 F C -2.768 172.997 175.800 -0.060 0.000 1.361 418 F CA -2.822 55.138 58.000 -0.068 0.000 1.151 418 F CB 0.841 39.792 39.000 -0.081 0.000 1.391 418 F HN -0.051 nan 8.300 nan 0.000 0.566 419 P HA 0.225 nan 4.420 nan 0.000 0.267 419 P C 0.992 178.313 177.300 0.035 0.000 1.205 419 P CA 0.872 63.986 63.100 0.024 0.000 0.765 419 P CB 0.987 32.682 31.700 -0.009 0.000 0.828 420 G N 2.525 111.338 108.800 0.022 0.000 2.225 420 G HA2 -0.238 3.715 3.960 -0.013 0.000 0.254 420 G HA3 -0.238 3.715 3.960 -0.013 0.000 0.254 420 G C 0.328 175.237 174.900 0.015 0.000 0.988 420 G CA -0.023 45.086 45.100 0.015 0.000 0.625 420 G HN 0.596 nan 8.290 nan 0.000 0.527 421 D N 1.564 121.982 120.400 0.029 0.000 2.551 421 D HA 0.375 5.007 4.640 -0.013 0.000 0.223 421 D C 2.115 178.404 176.300 -0.018 0.000 1.144 421 D CA 0.443 54.445 54.000 0.003 0.000 1.025 421 D CB 0.386 41.186 40.800 0.001 0.000 1.085 421 D HN 0.598 nan 8.370 nan 0.000 0.506 422 V N 0.672 120.578 119.914 -0.014 0.000 2.515 422 V HA -0.133 3.980 4.120 -0.013 0.000 0.250 422 V C 1.798 177.880 176.094 -0.020 0.000 1.058 422 V CA 1.442 63.733 62.300 -0.015 0.000 1.064 422 V CB -0.423 31.395 31.823 -0.008 0.000 0.675 422 V HN 0.206 nan 8.190 nan 0.000 0.461 423 D N 0.346 120.729 120.400 -0.027 0.000 2.183 423 D HA -0.145 4.488 4.640 -0.013 0.000 0.203 423 D C 2.333 178.606 176.300 -0.046 0.000 0.969 423 D CA 1.225 55.209 54.000 -0.027 0.000 0.842 423 D CB -0.202 40.583 40.800 -0.025 0.000 0.957 423 D HN 0.410 nan 8.370 nan 0.000 0.484 424 R N -0.132 120.316 120.500 -0.087 0.000 2.091 424 R HA -0.112 4.220 4.340 -0.013 0.000 0.238 424 R C 2.295 178.526 176.300 -0.114 0.000 1.136 424 R CA 1.021 57.032 56.100 -0.148 0.000 0.959 424 R CB -0.297 29.852 30.300 -0.250 0.000 0.856 424 R HN 0.256 nan 8.270 nan 0.000 0.437 425 L N 0.408 121.588 121.223 -0.072 0.000 2.042 425 L HA -0.228 4.104 4.340 -0.013 0.000 0.210 425 L C 2.755 179.630 176.870 0.008 0.000 1.076 425 L CA 1.930 56.747 54.840 -0.037 0.000 0.749 425 L CB -0.518 41.529 42.059 -0.021 0.000 0.893 425 L HN 0.289 nan 8.230 nan 0.000 0.432 426 R N 0.309 120.818 120.500 0.014 0.000 2.090 426 R HA -0.105 4.227 4.340 -0.013 0.000 0.228 426 R C 2.253 178.602 176.300 0.082 0.000 1.110 426 R CA 1.155 57.283 56.100 0.048 0.000 0.973 426 R CB -0.414 29.908 30.300 0.036 0.000 0.869 426 R HN 0.165 nan 8.270 nan 0.000 0.440 427 R N -0.032 120.499 120.500 0.052 0.000 2.096 427 R HA 0.027 4.360 4.340 -0.013 0.000 0.235 427 R C 2.096 178.488 176.300 0.153 0.000 1.127 427 R CA 1.954 58.111 56.100 0.094 0.000 0.968 427 R CB -0.210 30.106 30.300 0.026 0.000 0.861 427 R HN 0.360 nan 8.270 nan 0.000 0.440 428 M N 0.007 119.625 119.600 0.030 0.000 2.509 428 M HA 0.045 4.517 4.480 -0.013 0.000 0.250 428 M C 0.833 177.297 176.300 0.274 0.000 1.132 428 M CA -0.016 55.256 55.300 -0.047 0.000 1.080 428 M CB 0.483 32.891 32.600 -0.321 0.000 1.408 428 M HN -0.083 nan 8.290 nan 0.000 0.484 429 S N 1.134 117.000 115.700 0.276 0.000 2.558 429 S HA 0.066 4.529 4.470 -0.013 0.000 0.288 429 S C 1.178 176.028 174.600 0.417 0.000 1.318 429 S CA -0.265 58.119 58.200 0.307 0.000 1.056 429 S CB 0.565 63.888 63.200 0.205 0.000 0.853 429 S HN 0.362 nan 8.310 nan 0.000 0.505 430 L N 4.175 125.600 121.223 0.336 0.000 2.217 430 L HA 0.076 4.408 4.340 -0.013 0.000 0.211 430 L C 0.405 177.386 176.870 0.184 0.000 1.107 430 L CA 0.400 55.399 54.840 0.264 0.000 0.783 430 L CB -0.471 41.688 42.059 0.167 0.000 0.919 430 L HN 0.408 nan 8.230 nan 0.000 0.442 431 V N 0.936 120.969 119.914 0.198 0.000 2.383 431 V HA 0.144 4.257 4.120 -0.013 0.000 0.275 431 V C 0.082 176.263 176.094 0.145 0.000 1.036 431 V CA -0.504 61.901 62.300 0.175 0.000 0.889 431 V CB 1.258 33.217 31.823 0.227 0.000 0.985 431 V HN 0.183 nan 8.190 nan 0.000 0.459 432 E N 3.411 123.676 120.200 0.109 0.000 2.115 432 E HA 0.360 4.702 4.350 -0.013 0.000 0.282 432 E C -0.601 176.049 176.600 0.083 0.000 0.987 432 E CA -0.514 55.939 56.400 0.089 0.000 0.797 432 E CB 1.584 31.316 29.700 0.053 0.000 1.086 432 E HN 0.616 nan 8.360 nan 0.000 0.397 433 E N 1.132 121.378 120.200 0.077 0.000 2.374 433 E HA 0.566 4.909 4.350 -0.013 0.000 0.260 433 E C 0.179 176.813 176.600 0.058 0.000 1.101 433 E CA 0.375 56.815 56.400 0.066 0.000 0.907 433 E CB 1.370 31.103 29.700 0.055 0.000 1.014 433 E HN 0.639 nan 8.360 nan 0.000 0.427 434 G N -0.152 108.681 108.800 0.055 0.000 2.344 434 G HA2 0.318 4.270 3.960 -0.013 0.000 0.282 434 G HA3 0.318 4.270 3.960 -0.013 0.000 0.282 434 G C 0.252 175.183 174.900 0.051 0.000 1.281 434 G CA 0.009 45.139 45.100 0.049 0.000 0.877 434 G HN 0.537 nan 8.290 nan 0.000 0.494 435 A N -0.984 121.865 122.820 0.048 0.000 1.873 435 A HA 0.323 4.635 4.320 -0.013 0.000 0.218 435 A C 1.544 179.168 177.584 0.066 0.000 1.193 435 A CA 3.213 55.279 52.037 0.049 0.000 0.629 435 A CB -1.139 17.887 19.000 0.043 0.000 0.826 435 A HN 2.169 nan 8.150 nan 0.000 0.447 436 V N -2.591 117.373 119.914 0.083 0.000 2.417 436 V HA 0.483 4.596 4.120 -0.013 0.000 0.291 436 V C -0.471 175.692 176.094 0.115 0.000 1.024 436 V CA -1.413 60.960 62.300 0.121 0.000 0.861 436 V CB 1.294 33.215 31.823 0.163 0.000 0.985 436 V HN 0.289 nan 8.190 nan 0.000 0.436 437 K N 4.226 124.702 120.400 0.127 0.000 2.401 437 K HA 0.441 4.753 4.320 -0.013 0.000 0.278 437 K C -0.295 176.374 176.600 0.114 0.000 1.018 437 K CA -0.044 56.315 56.287 0.119 0.000 0.981 437 K CB 0.804 33.386 32.500 0.138 0.000 0.933 437 K HN 0.727 nan 8.250 nan 0.000 0.477 438 R N 1.751 122.306 120.500 0.093 0.000 2.837 438 R HA 0.469 4.802 4.340 -0.013 0.000 0.271 438 R C -0.549 175.790 176.300 0.065 0.000 0.993 438 R CA -1.014 55.129 56.100 0.073 0.000 0.931 438 R CB 1.349 31.673 30.300 0.040 0.000 1.206 438 R HN 0.380 nan 8.270 nan 0.000 0.474 439 I N 1.952 122.557 120.570 0.058 0.000 2.336 439 I HA 0.154 4.316 4.170 -0.013 0.000 0.292 439 I C -0.080 176.024 176.117 -0.020 0.000 0.991 439 I CA -0.682 60.641 61.300 0.037 0.000 1.227 439 I CB 1.065 39.084 38.000 0.031 0.000 1.366 439 I HN 0.498 nan 8.210 nan 0.000 0.466 440 N N 7.122 125.782 118.700 -0.066 0.000 2.415 440 N HA 0.108 4.841 4.740 -0.013 0.000 0.246 440 N C 0.766 176.185 175.510 -0.151 0.000 1.078 440 N CA -0.325 52.608 53.050 -0.196 0.000 0.942 440 N CB 1.009 39.241 38.487 -0.424 0.000 1.140 440 N HN 0.386 nan 8.380 nan 0.000 0.501 441 M N 2.397 121.907 119.600 -0.150 0.000 2.319 441 M HA -0.032 4.441 4.480 -0.013 0.000 0.265 441 M C 1.909 178.076 176.300 -0.221 0.000 1.068 441 M CA 0.621 55.849 55.300 -0.120 0.000 1.118 441 M CB -1.511 31.062 32.600 -0.045 0.000 1.395 441 M HN 0.598 nan 8.290 nan 0.000 0.435 442 A N -0.308 122.380 122.820 -0.220 0.000 1.902 442 A HA -0.173 4.140 4.320 -0.013 0.000 0.217 442 A C 1.992 179.374 177.584 -0.337 0.000 1.181 442 A CA 1.463 53.333 52.037 -0.278 0.000 0.623 442 A CB -1.121 17.913 19.000 0.058 0.000 0.818 442 A HN 0.586 nan 8.150 nan 0.000 0.443 443 H N -1.035 117.838 119.070 -0.329 0.000 2.353 443 H HA -0.048 4.501 4.556 -0.013 0.000 0.300 443 H C 2.135 177.255 175.328 -0.346 0.000 1.090 443 H CA 0.986 56.810 56.048 -0.373 0.000 1.327 443 H CB -0.087 29.659 29.762 -0.028 0.000 1.383 443 H HN 0.360 nan 8.280 nan 0.000 0.508 444 L N 0.469 121.622 121.223 -0.116 0.000 2.012 444 L HA -0.246 4.086 4.340 -0.013 0.000 0.210 444 L C 2.334 179.073 176.870 -0.217 0.000 1.073 444 L CA 1.389 56.152 54.840 -0.128 0.000 0.748 444 L CB -0.437 41.572 42.059 -0.083 0.000 0.891 444 L HN 0.458 nan 8.230 nan 0.000 0.431 445 C N -0.016 119.053 119.300 -0.385 0.000 2.432 445 C HA -0.178 4.274 4.460 -0.013 0.000 0.277 445 C C 2.659 177.394 174.990 -0.425 0.000 1.249 445 C CA 0.659 59.363 59.018 -0.523 0.000 1.725 445 C CB -0.758 26.281 27.740 -1.168 0.000 2.028 445 C HN 0.513 nan 8.230 nan 0.000 0.477 446 I N 1.485 121.760 120.570 -0.492 0.000 2.179 446 I HA -0.201 3.962 4.170 -0.013 0.000 0.242 446 I C 2.760 178.729 176.117 -0.247 0.000 1.088 446 I CA 1.651 62.708 61.300 -0.405 0.000 1.357 446 I CB -0.601 37.021 38.000 -0.630 0.000 1.051 446 I HN 0.266 nan 8.210 nan 0.000 0.409 447 A N 0.596 123.236 122.820 -0.299 0.000 1.908 447 A HA -0.132 4.181 4.320 -0.013 0.000 0.218 447 A C 2.206 179.828 177.584 0.063 0.000 1.181 447 A CA 2.006 53.899 52.037 -0.240 0.000 0.627 447 A CB -1.219 17.467 19.000 -0.525 0.000 0.818 447 A HN 0.490 nan 8.150 nan 0.000 0.445 448 G N -1.253 107.527 108.800 -0.034 0.000 3.434 448 G HA2 0.430 4.382 3.960 -0.013 0.000 0.258 448 G HA3 0.430 4.382 3.960 -0.013 0.000 0.258 448 G C 0.014 174.755 174.900 -0.265 0.000 1.128 448 G CA 0.476 45.444 45.100 -0.218 0.000 0.792 448 G HN 0.336 nan 8.290 nan 0.000 0.539 449 S N -0.253 115.344 115.700 -0.172 0.000 2.526 449 S HA 0.305 4.767 4.470 -0.013 0.000 0.293 449 S C 0.787 175.332 174.600 -0.092 0.000 1.092 449 S CA -0.714 57.410 58.200 -0.126 0.000 0.980 449 S CB 1.313 64.444 63.200 -0.115 0.000 1.048 449 S HN 0.501 nan 8.310 nan 0.000 0.483 450 H N 0.261 119.291 119.070 -0.067 0.000 2.535 450 H HA 0.405 4.954 4.556 -0.013 0.000 0.273 450 H C 0.193 175.506 175.328 -0.025 0.000 0.983 450 H CA 0.450 56.486 56.048 -0.020 0.000 1.238 450 H CB 0.151 29.916 29.762 0.005 0.000 1.412 450 H HN 0.514 nan 8.280 nan 0.000 0.562 451 A N 1.186 123.668 122.820 -0.562 0.000 2.427 451 A HA 0.559 4.871 4.320 -0.013 0.000 0.298 451 A C -1.325 176.048 177.584 -0.352 0.000 1.036 451 A CA -0.588 51.184 52.037 -0.443 0.000 0.701 451 A CB 2.277 20.968 19.000 -0.515 0.000 1.250 451 A HN 0.103 nan 8.150 nan 0.000 0.412 452 V N 4.313 123.989 119.914 -0.397 0.000 2.531 452 V HA 0.521 4.633 4.120 -0.013 0.000 0.301 452 V C -0.727 175.176 176.094 -0.317 0.000 1.034 452 V CA -0.783 61.276 62.300 -0.401 0.000 0.865 452 V CB 1.791 33.222 31.823 -0.654 0.000 0.995 452 V HN 1.007 nan 8.190 nan 0.000 0.424 453 N N 3.235 121.769 118.700 -0.277 0.000 2.240 453 N HA 0.593 5.325 4.740 -0.013 0.000 0.302 453 N C -0.234 175.179 175.510 -0.162 0.000 1.106 453 N CA -0.370 52.562 53.050 -0.196 0.000 0.778 453 N CB 2.844 41.192 38.487 -0.231 0.000 1.431 453 N HN 0.630 nan 8.380 nan 0.000 0.479 454 G N -0.666 108.080 108.800 -0.090 0.000 2.535 454 G HA2 0.412 4.365 3.960 -0.013 0.000 0.303 454 G HA3 0.412 4.365 3.960 -0.013 0.000 0.303 454 G C 0.784 175.753 174.900 0.115 0.000 1.237 454 G CA -0.457 44.656 45.100 0.021 0.000 0.986 454 G HN 0.641 nan 8.290 nan 0.000 0.494 455 V N -3.815 116.278 119.914 0.297 0.000 3.427 455 V HA 0.699 4.812 4.120 -0.013 0.000 0.305 455 V C 0.561 176.727 176.094 0.120 0.000 1.412 455 V CA 0.431 62.802 62.300 0.118 0.000 1.086 455 V CB -0.756 31.068 31.823 0.001 0.000 0.964 455 V HN 1.353 nan 8.190 nan 0.000 0.439 456 A N -0.057 122.852 122.820 0.149 0.000 2.608 456 A HA 0.642 4.954 4.320 -0.013 0.000 0.292 456 A C 0.674 178.311 177.584 0.089 0.000 1.066 456 A CA -0.088 52.015 52.037 0.110 0.000 0.676 456 A CB 1.158 20.212 19.000 0.090 0.000 1.277 456 A HN 0.022 nan 8.150 nan 0.000 0.413 457 R N 0.668 121.200 120.500 0.052 0.000 2.083 457 R HA -0.147 4.186 4.340 -0.013 0.000 0.237 457 R C 1.710 178.013 176.300 0.005 0.000 1.137 457 R CA 2.236 58.345 56.100 0.015 0.000 0.951 457 R CB -0.264 30.039 30.300 0.004 0.000 0.851 457 R HN 0.818 nan 8.270 nan 0.000 0.434 458 I N 0.333 120.915 120.570 0.019 0.000 2.208 458 I HA -0.321 3.842 4.170 -0.013 0.000 0.245 458 I C 2.372 178.505 176.117 0.027 0.000 1.097 458 I CA 1.968 63.273 61.300 0.008 0.000 1.363 458 I CB -0.240 37.763 38.000 0.005 0.000 1.051 458 I HN 0.361 nan 8.210 nan 0.000 0.413 459 H N 0.268 119.316 119.070 -0.037 0.000 2.321 459 H HA -0.131 4.417 4.556 -0.013 0.000 0.300 459 H C 2.298 177.602 175.328 -0.040 0.000 1.087 459 H CA 2.230 58.254 56.048 -0.040 0.000 1.319 459 H CB -0.295 29.448 29.762 -0.031 0.000 1.379 459 H HN 0.248 nan 8.280 nan 0.000 0.501 460 S N 0.340 115.938 115.700 -0.170 0.000 2.382 460 S HA -0.131 4.332 4.470 -0.013 0.000 0.228 460 S C 1.896 176.383 174.600 -0.188 0.000 1.027 460 S CA 1.254 59.331 58.200 -0.206 0.000 0.991 460 S CB -0.081 63.064 63.200 -0.091 0.000 0.823 460 S HN 0.493 nan 8.310 nan 0.000 0.469 461 E N 1.115 121.227 120.200 -0.147 0.000 2.072 461 E HA 0.006 4.349 4.350 -0.013 0.000 0.191 461 E C 2.032 178.526 176.600 -0.177 0.000 0.985 461 E CA 0.602 56.905 56.400 -0.162 0.000 0.801 461 E CB -0.373 29.262 29.700 -0.108 0.000 0.750 461 E HN 0.508 nan 8.360 nan 0.000 0.452 462 I N 1.055 121.535 120.570 -0.149 0.000 2.264 462 I HA -0.283 3.880 4.170 -0.013 0.000 0.248 462 I C 2.416 178.417 176.117 -0.194 0.000 1.111 462 I CA 0.841 62.057 61.300 -0.141 0.000 1.382 462 I CB -0.253 37.697 38.000 -0.084 0.000 1.060 462 I HN 0.063 nan 8.210 nan 0.000 0.418 463 L N 0.369 121.445 121.223 -0.245 0.000 2.042 463 L HA -0.240 4.092 4.340 -0.013 0.000 0.210 463 L C 2.487 179.247 176.870 -0.183 0.000 1.076 463 L CA 1.622 56.342 54.840 -0.201 0.000 0.749 463 L CB -0.585 41.435 42.059 -0.066 0.000 0.893 463 L HN 0.208 nan 8.230 nan 0.000 0.432 464 K N -0.204 120.007 120.400 -0.315 0.000 2.217 464 K HA -0.106 4.207 4.320 -0.013 0.000 0.202 464 K C 2.052 178.456 176.600 -0.327 0.000 1.051 464 K CA 0.871 56.832 56.287 -0.544 0.000 0.952 464 K CB 0.088 32.019 32.500 -0.948 0.000 0.736 464 K HN 0.272 nan 8.250 nan 0.000 0.453 465 K N -0.094 120.172 120.400 -0.224 0.000 2.211 465 K HA -0.025 4.287 4.320 -0.013 0.000 0.201 465 K C 1.947 178.492 176.600 -0.092 0.000 1.052 465 K CA 1.402 57.609 56.287 -0.134 0.000 0.973 465 K CB 0.455 32.886 32.500 -0.115 0.000 0.766 465 K HN 0.256 nan 8.250 nan 0.000 0.466 466 T N -1.153 113.335 114.554 -0.110 0.000 3.330 466 T HA 0.061 4.403 4.350 -0.013 0.000 0.185 466 T C 1.944 176.587 174.700 -0.096 0.000 0.874 466 T CA -0.005 62.039 62.100 -0.093 0.000 1.268 466 T CB -0.757 68.050 68.868 -0.101 0.000 1.866 466 T HN 0.114 nan 8.240 nan 0.000 0.395 467 I N -1.044 119.402 120.570 -0.207 0.000 2.493 467 I HA 0.244 4.406 4.170 -0.013 0.000 0.254 467 I C 1.369 177.396 176.117 -0.149 0.000 1.160 467 I CA 1.290 62.422 61.300 -0.280 0.000 1.445 467 I CB -0.585 37.097 38.000 -0.530 0.000 1.086 467 I HN 0.247 nan 8.210 nan 0.000 0.433 468 F N 0.864 120.881 119.950 0.111 0.000 2.735 468 F HA 0.340 4.860 4.527 -0.013 0.000 0.304 468 F C 2.001 177.878 175.800 0.127 0.000 1.119 468 F CA -0.627 57.502 58.000 0.216 0.000 1.280 468 F CB 0.163 39.284 39.000 0.203 0.000 0.994 468 F HN -0.099 nan 8.300 nan 0.000 0.520 469 K N 1.073 121.576 120.400 0.172 0.000 2.044 469 K HA -0.219 4.093 4.320 -0.013 0.000 0.210 469 K C 1.352 178.009 176.600 0.095 0.000 1.049 469 K CA 2.226 58.563 56.287 0.083 0.000 0.927 469 K CB -0.023 32.492 32.500 0.025 0.000 0.713 469 K HN 0.140 nan 8.250 nan 0.000 0.443 470 D N -0.096 120.340 120.400 0.060 0.000 2.123 470 D HA -0.167 4.466 4.640 -0.013 0.000 0.196 470 D C 1.805 178.029 176.300 -0.127 0.000 0.992 470 D CA 1.293 55.205 54.000 -0.147 0.000 0.833 470 D CB -0.307 40.310 40.800 -0.306 0.000 0.954 470 D HN 0.253 nan 8.370 nan 0.000 0.455 471 F N -0.297 119.730 119.950 0.130 0.000 2.206 471 F HA -0.133 4.387 4.527 -0.013 0.000 0.298 471 F C 2.336 178.286 175.800 0.251 0.000 1.090 471 F CA 0.483 58.638 58.000 0.258 0.000 1.323 471 F CB -0.636 38.587 39.000 0.372 0.000 1.028 471 F HN -0.034 nan 8.300 nan 0.000 0.492 472 Y N 1.394 121.679 120.300 -0.025 0.000 2.181 472 Y HA -0.205 4.338 4.550 -0.012 0.000 0.288 472 Y C 2.136 178.029 175.900 -0.012 0.000 1.146 472 Y CA 1.643 59.560 58.100 -0.306 0.000 1.164 472 Y CB -0.618 37.467 38.460 -0.625 0.000 0.982 472 Y HN 0.126 nan 8.280 nan 0.000 0.515 473 E N -0.387 119.772 120.200 -0.068 0.000 2.110 473 E HA -0.209 4.134 4.350 -0.013 0.000 0.193 473 E C 1.997 178.660 176.600 0.104 0.000 0.988 473 E CA 1.277 57.649 56.400 -0.046 0.000 0.804 473 E CB -0.279 29.431 29.700 0.017 0.000 0.745 473 E HN 0.441 nan 8.360 nan 0.000 0.458 474 L N 0.837 122.161 121.223 0.168 0.000 2.095 474 L HA -0.039 4.293 4.340 -0.013 0.000 0.204 474 L C 0.240 177.195 176.870 0.142 0.000 1.080 474 L CA 1.651 56.622 54.840 0.219 0.000 0.759 474 L CB 0.398 42.584 42.059 0.211 0.000 0.914 474 L HN -0.108 nan 8.230 nan 0.000 0.439 475 E N -0.152 120.130 120.200 0.136 0.000 3.386 475 E HA 0.182 4.524 4.350 -0.013 0.000 0.236 475 E C -1.991 174.566 176.600 -0.072 0.000 1.227 475 E CA -1.232 55.166 56.400 -0.003 0.000 0.970 475 E CB 0.801 30.495 29.700 -0.010 0.000 1.343 475 E HN 0.200 nan 8.360 nan 0.000 0.397 476 P HA -0.238 nan 4.420 nan 0.000 0.218 476 P C 1.189 178.591 177.300 0.171 0.000 1.149 476 P CA 1.347 64.365 63.100 -0.136 0.000 0.817 476 P CB -0.033 31.470 31.700 -0.327 0.000 0.785 477 H N 0.183 119.358 119.070 0.175 0.000 2.491 477 H HA 0.069 4.617 4.556 -0.013 0.000 0.290 477 H C 1.475 176.893 175.328 0.150 0.000 1.050 477 H CA 0.779 56.917 56.048 0.151 0.000 1.309 477 H CB -0.675 29.147 29.762 0.099 0.000 1.392 477 H HN 0.150 nan 8.280 nan 0.000 0.554 478 K N 0.310 120.601 120.400 -0.181 0.000 2.211 478 K HA 0.014 4.326 4.320 -0.013 0.000 0.203 478 K C -0.150 176.310 176.600 -0.233 0.000 1.050 478 K CA 0.382 56.544 56.287 -0.208 0.000 0.945 478 K CB 0.061 32.315 32.500 -0.409 0.000 0.732 478 K HN 0.114 nan 8.250 nan 0.000 0.451 479 F N 1.733 121.710 119.950 0.045 0.000 2.411 479 F HA 0.182 4.701 4.527 -0.013 0.000 0.355 479 F C 0.451 176.253 175.800 0.003 0.000 1.117 479 F CA -0.248 57.779 58.000 0.044 0.000 1.139 479 F CB 0.985 40.066 39.000 0.135 0.000 1.120 479 F HN -0.112 nan 8.300 nan 0.000 0.493 480 Q N 1.878 121.706 119.800 0.048 0.000 2.528 480 Q HA 0.352 4.685 4.340 -0.013 0.000 0.289 480 Q C -1.131 174.831 176.000 -0.063 0.000 1.091 480 Q CA -1.244 54.541 55.803 -0.029 0.000 0.797 480 Q CB 3.121 31.788 28.738 -0.118 0.000 1.466 480 Q HN 0.604 nan 8.270 nan 0.000 0.436 481 N N 0.786 119.433 118.700 -0.089 0.000 2.321 481 N HA 0.264 4.996 4.740 -0.013 0.000 0.299 481 N C -1.423 173.991 175.510 -0.160 0.000 1.048 481 N CA -0.380 52.613 53.050 -0.094 0.000 0.836 481 N CB 0.954 39.408 38.487 -0.055 0.000 1.269 481 N HN 0.273 nan 8.380 nan 0.000 0.486 482 K N 2.763 123.069 120.400 -0.157 0.000 2.675 482 K HA 0.185 4.497 4.320 -0.013 0.000 0.224 482 K C -0.954 175.650 176.600 0.006 0.000 1.003 482 K CA -0.494 55.676 56.287 -0.194 0.000 1.034 482 K CB 1.270 33.435 32.500 -0.558 0.000 1.218 482 K HN 0.533 nan 8.250 nan 0.000 0.507 483 T N 2.137 116.714 114.554 0.039 0.000 2.902 483 T HA 0.055 4.398 4.350 -0.013 0.000 0.301 483 T C 0.785 175.609 174.700 0.206 0.000 1.012 483 T CA 0.324 62.497 62.100 0.122 0.000 1.151 483 T CB 0.252 69.196 68.868 0.126 0.000 0.946 483 T HN 0.358 nan 8.240 nan 0.000 0.542 484 N N 0.719 119.559 118.700 0.234 0.000 2.307 484 N HA 0.373 5.106 4.740 -0.013 0.000 0.230 484 N C 0.485 176.176 175.510 0.302 0.000 1.297 484 N CA -0.096 53.122 53.050 0.281 0.000 0.884 484 N CB 0.377 38.969 38.487 0.175 0.000 1.115 484 N HN 0.762 nan 8.380 nan 0.000 0.436 485 G N -0.580 108.405 108.800 0.310 0.000 2.687 485 G HA2 0.608 4.560 3.960 -0.013 0.000 0.291 485 G HA3 0.608 4.560 3.960 -0.013 0.000 0.291 485 G C -1.395 173.632 174.900 0.212 0.000 1.420 485 G CA -0.747 44.522 45.100 0.281 0.000 0.796 485 G HN 0.601 nan 8.290 nan 0.000 0.485 486 I N -2.400 118.280 120.570 0.184 0.000 2.828 486 I HA 0.751 4.913 4.170 -0.013 0.000 0.302 486 I C -0.206 176.066 176.117 0.260 0.000 1.101 486 I CA -0.951 60.449 61.300 0.166 0.000 1.031 486 I CB 2.457 40.437 38.000 -0.034 0.000 1.231 486 I HN 0.482 nan 8.210 nan 0.000 0.427 487 T N 4.146 118.915 114.554 0.359 0.000 2.794 487 T HA 0.365 4.707 4.350 -0.013 0.000 0.296 487 T C -1.467 173.359 174.700 0.209 0.000 0.949 487 T CA -1.614 60.624 62.100 0.229 0.000 1.101 487 T CB 0.786 69.736 68.868 0.137 0.000 0.905 487 T HN 0.628 nan 8.240 nan 0.000 0.516 488 P HA 0.062 nan 4.420 nan 0.000 0.233 488 P C 1.104 178.378 177.300 -0.043 0.000 1.167 488 P CA 0.303 63.444 63.100 0.070 0.000 0.770 488 P CB 0.354 32.079 31.700 0.042 0.000 0.837 489 R N 0.457 120.885 120.500 -0.120 0.000 2.064 489 R HA -0.002 4.330 4.340 -0.013 0.000 0.228 489 R C 2.672 178.858 176.300 -0.191 0.000 1.144 489 R CA 1.575 57.562 56.100 -0.188 0.000 0.932 489 R CB -1.239 28.952 30.300 -0.181 0.000 0.833 489 R HN 0.039 nan 8.270 nan 0.000 0.429 490 R N -0.822 119.510 120.500 -0.279 0.000 2.081 490 R HA -0.133 4.200 4.340 -0.013 0.000 0.235 490 R C 1.075 177.031 176.300 -0.574 0.000 1.131 490 R CA 1.755 57.528 56.100 -0.544 0.000 0.960 490 R CB -0.168 29.611 30.300 -0.868 0.000 0.856 490 R HN 0.305 nan 8.270 nan 0.000 0.436 491 W N -0.509 120.751 121.300 -0.067 0.000 3.353 491 W HA 0.171 4.823 4.660 -0.013 0.000 0.304 491 W C 0.947 177.438 176.519 -0.046 0.000 1.273 491 W CA -0.702 56.603 57.345 -0.067 0.000 1.773 491 W CB 0.456 29.880 29.460 -0.060 0.000 1.095 491 W HN 0.218 nan 8.180 nan 0.000 0.676 492 L N -2.200 119.080 121.223 0.094 0.000 2.511 492 L HA 0.199 4.532 4.340 -0.013 0.000 0.173 492 L C 1.753 178.640 176.870 0.028 0.000 1.160 492 L CA 0.801 55.691 54.840 0.083 0.000 0.964 492 L CB -0.835 41.301 42.059 0.129 0.000 1.892 492 L HN -0.247 nan 8.230 nan 0.000 0.497 493 V N 1.051 120.957 119.914 -0.012 0.000 2.295 493 V HA -0.266 3.847 4.120 -0.013 0.000 0.246 493 V C 2.449 178.515 176.094 -0.047 0.000 1.049 493 V CA 2.458 64.740 62.300 -0.029 0.000 1.024 493 V CB -0.648 31.127 31.823 -0.080 0.000 0.648 493 V HN 0.501 nan 8.190 nan 0.000 0.447 494 L N 0.468 121.634 121.223 -0.096 0.000 2.023 494 L HA -0.183 4.149 4.340 -0.013 0.000 0.205 494 L C 2.511 179.317 176.870 -0.107 0.000 1.073 494 L CA 2.390 57.158 54.840 -0.121 0.000 0.745 494 L CB -0.274 41.663 42.059 -0.203 0.000 0.900 494 L HN 0.651 nan 8.230 nan 0.000 0.435 495 C N -1.693 117.536 119.300 -0.117 0.000 2.563 495 C HA 0.188 4.640 4.460 -0.013 0.000 0.268 495 C C 1.175 176.148 174.990 -0.029 0.000 1.365 495 C CA -0.269 58.697 59.018 -0.086 0.000 1.754 495 C CB -1.021 26.665 27.740 -0.089 0.000 1.932 495 C HN 0.599 nan 8.230 nan 0.000 0.536 496 N N 1.079 119.773 118.700 -0.010 0.000 2.711 496 N HA 0.281 5.014 4.740 -0.013 0.000 0.263 496 N C -1.837 173.685 175.510 0.020 0.000 1.667 496 N CA -1.505 51.552 53.050 0.012 0.000 0.785 496 N CB 0.798 39.301 38.487 0.027 0.000 1.231 496 N HN 0.235 nan 8.380 nan 0.000 0.503 497 P HA -0.026 nan 4.420 nan 0.000 0.218 497 P C 1.400 178.716 177.300 0.027 0.000 1.149 497 P CA 0.857 63.969 63.100 0.019 0.000 0.817 497 P CB 0.244 31.948 31.700 0.007 0.000 0.785 498 G N 0.666 109.478 108.800 0.019 0.000 2.440 498 G HA2 -0.248 3.705 3.960 -0.013 0.000 0.218 498 G HA3 -0.248 3.705 3.960 -0.013 0.000 0.218 498 G C 1.517 176.427 174.900 0.016 0.000 1.154 498 G CA 0.679 45.788 45.100 0.015 0.000 0.767 498 G HN 0.252 nan 8.290 nan 0.000 0.552 499 L N 1.225 122.459 121.223 0.019 0.000 2.072 499 L HA 0.278 4.611 4.340 -0.013 0.000 0.205 499 L C 3.056 179.957 176.870 0.053 0.000 1.079 499 L CA 1.984 56.835 54.840 0.018 0.000 0.752 499 L CB -0.718 41.352 42.059 0.018 0.000 0.906 499 L HN 0.222 nan 8.230 nan 0.000 0.436 500 A N -0.745 122.127 122.820 0.087 0.000 1.940 500 A HA -0.260 4.053 4.320 -0.013 0.000 0.219 500 A C 2.240 179.921 177.584 0.161 0.000 1.176 500 A CA 1.847 53.986 52.037 0.170 0.000 0.631 500 A CB -0.651 18.441 19.000 0.155 0.000 0.814 500 A HN 0.556 nan 8.150 nan 0.000 0.446 501 E N 0.633 120.889 120.200 0.093 0.000 2.047 501 E HA -0.148 4.194 4.350 -0.013 0.000 0.191 501 E C 1.847 178.487 176.600 0.066 0.000 0.987 501 E CA 1.538 57.983 56.400 0.075 0.000 0.799 501 E CB -0.509 29.218 29.700 0.045 0.000 0.752 501 E HN 0.735 nan 8.360 nan 0.000 0.449 502 I N -1.607 118.997 120.570 0.055 0.000 2.361 502 I HA -0.143 4.019 4.170 -0.013 0.000 0.251 502 I C 2.125 178.309 176.117 0.112 0.000 1.133 502 I CA 1.137 62.481 61.300 0.074 0.000 1.413 502 I CB -0.351 37.675 38.000 0.043 0.000 1.073 502 I HN 0.028 nan 8.210 nan 0.000 0.424 503 I N 1.941 122.554 120.570 0.072 0.000 2.202 503 I HA -0.187 3.976 4.170 -0.013 0.000 0.242 503 I C 3.003 179.072 176.117 -0.081 0.000 1.091 503 I CA 1.341 62.609 61.300 -0.054 0.000 1.368 503 I CB -0.475 37.376 38.000 -0.248 0.000 1.058 503 I HN 0.300 nan 8.210 nan 0.000 0.410 504 A N 0.346 123.210 122.820 0.073 0.000 1.972 504 A HA -0.222 4.091 4.320 -0.013 0.000 0.219 504 A C 2.172 179.788 177.584 0.053 0.000 1.169 504 A CA 1.566 53.696 52.037 0.155 0.000 0.635 504 A CB -0.587 18.535 19.000 0.204 0.000 0.810 504 A HN 0.441 nan 8.150 nan 0.000 0.446 505 E N -0.736 119.476 120.200 0.020 0.000 2.160 505 E HA -0.205 4.138 4.350 -0.013 0.000 0.195 505 E C 2.184 178.750 176.600 -0.056 0.000 0.991 505 E CA 1.070 57.467 56.400 -0.005 0.000 0.810 505 E CB -0.051 29.652 29.700 0.004 0.000 0.742 505 E HN 0.415 nan 8.360 nan 0.000 0.466 506 R N 0.077 120.487 120.500 -0.150 0.000 2.105 506 R HA 0.076 4.408 4.340 -0.013 0.000 0.214 506 R C 2.291 178.508 176.300 -0.138 0.000 1.091 506 R CA 0.843 56.775 56.100 -0.281 0.000 1.007 506 R CB -0.270 29.535 30.300 -0.825 0.000 0.912 506 R HN 0.331 nan 8.270 nan 0.000 0.450 507 I N -3.303 117.204 120.570 -0.105 0.000 4.147 507 I HA 0.456 4.618 4.170 -0.013 0.000 0.329 507 I C 0.429 176.584 176.117 0.063 0.000 1.424 507 I CA 0.088 61.377 61.300 -0.017 0.000 1.127 507 I CB 0.843 38.814 38.000 -0.048 0.000 1.128 507 I HN 0.168 nan 8.210 nan 0.000 0.417 508 G N 1.997 110.845 108.800 0.080 0.000 2.725 508 G HA2 -0.228 3.725 3.960 -0.013 0.000 0.220 508 G HA3 -0.228 3.725 3.960 -0.013 0.000 0.220 508 G C -0.018 175.009 174.900 0.212 0.000 1.357 508 G CA 0.234 45.402 45.100 0.114 0.000 0.866 508 G HN 0.431 nan 8.290 nan 0.000 0.548 509 E N -0.497 119.782 120.200 0.132 0.000 2.476 509 E HA 0.068 4.410 4.350 -0.013 0.000 0.199 509 E C 1.885 178.445 176.600 -0.067 0.000 1.021 509 E CA -0.015 56.411 56.400 0.043 0.000 0.907 509 E CB 0.202 29.916 29.700 0.023 0.000 0.974 509 E HN 0.439 nan 8.360 nan 0.000 0.489 510 E N 0.448 120.675 120.200 0.046 0.000 2.265 510 E HA -0.171 4.172 4.350 -0.013 0.000 0.196 510 E C 1.625 178.227 176.600 0.003 0.000 0.996 510 E CA 0.732 57.149 56.400 0.028 0.000 0.832 510 E CB 0.022 29.759 29.700 0.062 0.000 0.756 510 E HN 0.509 nan 8.360 nan 0.000 0.491 511 Y N -1.197 119.109 120.300 0.009 0.000 2.421 511 Y HA -0.027 4.517 4.550 -0.011 0.000 0.292 511 Y C 1.950 177.829 175.900 -0.036 0.000 1.136 511 Y CA 0.576 58.672 58.100 -0.005 0.000 1.255 511 Y CB -0.765 37.695 38.460 0.000 0.000 0.991 511 Y HN -0.092 nan 8.280 nan 0.000 0.552 512 I N 0.935 121.053 120.570 -0.754 0.000 2.454 512 I HA -0.228 3.935 4.170 -0.013 0.000 0.254 512 I C 1.694 177.555 176.117 -0.426 0.000 1.156 512 I CA 1.769 62.657 61.300 -0.687 0.000 1.433 512 I CB -0.356 37.139 38.000 -0.842 0.000 1.082 512 I HN 0.457 nan 8.210 nan 0.000 0.432 513 S N -2.049 113.510 115.700 -0.236 0.000 2.650 513 S HA 0.176 4.639 4.470 -0.013 0.000 0.240 513 S C 0.176 174.764 174.600 -0.021 0.000 1.007 513 S CA -0.460 57.683 58.200 -0.094 0.000 0.984 513 S CB 0.298 63.513 63.200 0.026 0.000 0.910 513 S HN 0.282 nan 8.310 nan 0.000 0.509 514 D N 0.671 121.067 120.400 -0.006 0.000 2.978 514 D HA 0.242 4.874 4.640 -0.013 0.000 0.268 514 D C 0.332 176.678 176.300 0.077 0.000 1.252 514 D CA -0.369 53.652 54.000 0.035 0.000 0.771 514 D CB 0.349 41.173 40.800 0.041 0.000 1.361 514 D HN 0.092 nan 8.370 nan 0.000 0.558 515 L N 1.085 122.354 121.223 0.076 0.000 2.353 515 L HA -0.008 4.325 4.340 -0.013 0.000 0.220 515 L C 1.411 178.335 176.870 0.090 0.000 1.133 515 L CA 1.519 56.433 54.840 0.124 0.000 0.798 515 L CB -0.054 42.072 42.059 0.111 0.000 0.922 515 L HN 0.255 nan 8.230 nan 0.000 0.445 516 D N -0.713 119.717 120.400 0.050 0.000 2.265 516 D HA -0.220 4.412 4.640 -0.013 0.000 0.208 516 D C 1.921 178.243 176.300 0.036 0.000 0.977 516 D CA 0.859 54.874 54.000 0.025 0.000 0.871 516 D CB 0.037 40.840 40.800 0.004 0.000 0.925 516 D HN 0.556 nan 8.370 nan 0.000 0.485 517 Q N 0.012 119.851 119.800 0.065 0.000 2.364 517 Q HA -0.063 4.269 4.340 -0.013 0.000 0.209 517 Q C 2.325 178.342 176.000 0.029 0.000 0.977 517 Q CA 0.278 56.119 55.803 0.064 0.000 0.885 517 Q CB -0.013 28.792 28.738 0.112 0.000 0.941 517 Q HN 0.395 nan 8.270 nan 0.000 0.464 518 L N 0.197 121.431 121.223 0.018 0.000 2.261 518 L HA -0.210 4.123 4.340 -0.013 0.000 0.216 518 L C 2.313 179.178 176.870 -0.009 0.000 1.114 518 L CA 0.962 55.779 54.840 -0.038 0.000 0.777 518 L CB -0.385 41.664 42.059 -0.017 0.000 0.910 518 L HN 0.225 nan 8.230 nan 0.000 0.440 519 R N 0.319 120.825 120.500 0.009 0.000 2.139 519 R HA -0.193 4.139 4.340 -0.013 0.000 0.243 519 R C 2.117 178.424 176.300 0.011 0.000 1.145 519 R CA 1.156 57.263 56.100 0.012 0.000 0.976 519 R CB -0.246 30.058 30.300 0.006 0.000 0.866 519 R HN 0.395 nan 8.270 nan 0.000 0.449 520 K N 0.608 121.015 120.400 0.011 0.000 2.286 520 K HA -0.127 4.185 4.320 -0.013 0.000 0.203 520 K C 1.849 178.492 176.600 0.072 0.000 1.045 520 K CA 0.921 57.224 56.287 0.027 0.000 0.935 520 K CB -0.109 32.412 32.500 0.035 0.000 0.737 520 K HN 0.240 nan 8.250 nan 0.000 0.460 521 L N 0.421 121.669 121.223 0.042 0.000 2.376 521 L HA -0.130 4.203 4.340 -0.013 0.000 0.219 521 L C 1.840 178.771 176.870 0.103 0.000 1.133 521 L CA 0.015 54.892 54.840 0.062 0.000 0.816 521 L CB -0.253 41.802 42.059 -0.006 0.000 0.933 521 L HN 0.116 nan 8.230 nan 0.000 0.449 522 L N 0.177 121.432 121.223 0.053 0.000 2.127 522 L HA -0.191 4.141 4.340 -0.013 0.000 0.211 522 L C 2.723 179.583 176.870 -0.018 0.000 1.089 522 L CA 1.958 56.816 54.840 0.029 0.000 0.757 522 L CB -0.964 41.100 42.059 0.008 0.000 0.899 522 L HN 0.371 nan 8.230 nan 0.000 0.434 523 S N -2.744 112.901 115.700 -0.093 0.000 2.607 523 S HA -0.084 4.379 4.470 -0.013 0.000 0.224 523 S C 1.281 175.621 174.600 -0.433 0.000 0.969 523 S CA 0.261 58.303 58.200 -0.263 0.000 0.927 523 S CB -0.525 62.463 63.200 -0.352 0.000 0.772 523 S HN 0.469 nan 8.310 nan 0.000 0.533 524 Y N -0.239 119.987 120.300 -0.124 0.000 2.531 524 Y HA 0.441 4.988 4.550 -0.004 0.000 0.249 524 Y C 1.920 177.851 175.900 0.051 0.000 1.168 524 Y CA -0.554 57.466 58.100 -0.133 0.000 1.226 524 Y CB 0.172 38.326 38.460 -0.509 0.000 1.177 524 Y HN 0.243 nan 8.280 nan 0.000 0.527 525 V N 0.388 120.390 119.914 0.148 0.000 2.720 525 V HA -0.200 3.912 4.120 -0.013 0.000 0.256 525 V C 0.870 177.035 176.094 0.118 0.000 1.082 525 V CA 2.141 64.531 62.300 0.150 0.000 1.101 525 V CB -0.011 31.863 31.823 0.084 0.000 0.693 525 V HN 0.350 nan 8.190 nan 0.000 0.479 526 D N -0.678 119.771 120.400 0.081 0.000 2.440 526 D HA 0.128 4.760 4.640 -0.013 0.000 0.216 526 D C 0.259 176.606 176.300 0.079 0.000 1.150 526 D CA -0.041 53.996 54.000 0.062 0.000 0.832 526 D CB 0.155 40.969 40.800 0.023 0.000 0.992 526 D HN 0.428 nan 8.370 nan 0.000 0.502 527 D N 1.462 121.945 120.400 0.138 0.000 2.325 527 D HA -0.019 4.613 4.640 -0.013 0.000 0.251 527 D C 1.124 177.532 176.300 0.179 0.000 1.196 527 D CA -0.008 54.095 54.000 0.172 0.000 0.866 527 D CB 1.678 42.652 40.800 0.290 0.000 1.101 527 D HN -0.176 nan 8.370 nan 0.000 0.476 528 E N 3.216 123.486 120.200 0.117 0.000 2.150 528 E HA -0.111 4.232 4.350 -0.013 0.000 0.193 528 E C 1.698 178.354 176.600 0.093 0.000 0.985 528 E CA 1.255 57.708 56.400 0.088 0.000 0.814 528 E CB 0.034 29.768 29.700 0.057 0.000 0.752 528 E HN 0.576 nan 8.360 nan 0.000 0.466 529 A N -0.282 122.609 122.820 0.119 0.000 1.873 529 A HA -0.115 4.198 4.320 -0.013 0.000 0.215 529 A C 2.194 179.864 177.584 0.144 0.000 1.186 529 A CA 1.202 53.306 52.037 0.111 0.000 0.616 529 A CB -0.933 18.134 19.000 0.112 0.000 0.823 529 A HN 0.442 nan 8.150 nan 0.000 0.442 530 F N 0.452 120.421 119.950 0.032 0.000 2.102 530 F HA -0.163 4.357 4.527 -0.011 0.000 0.298 530 F C 2.045 177.853 175.800 0.014 0.000 1.105 530 F CA 1.655 59.659 58.000 0.007 0.000 1.239 530 F CB -0.121 38.894 39.000 0.025 0.000 0.991 530 F HN 0.166 nan 8.300 nan 0.000 0.474 531 I N 0.237 120.839 120.570 0.055 0.000 2.151 531 I HA -0.372 3.791 4.170 -0.013 0.000 0.243 531 I C 2.614 178.681 176.117 -0.083 0.000 1.080 531 I CA 1.799 63.078 61.300 -0.036 0.000 1.339 531 I CB -0.534 37.491 38.000 0.042 0.000 1.039 531 I HN 0.116 nan 8.210 nan 0.000 0.409 532 R N 0.855 121.331 120.500 -0.040 0.000 2.081 532 R HA -0.195 4.137 4.340 -0.013 0.000 0.235 532 R C 1.889 178.142 176.300 -0.079 0.000 1.131 532 R CA 1.991 58.065 56.100 -0.044 0.000 0.960 532 R CB -0.165 30.128 30.300 -0.012 0.000 0.856 532 R HN 0.281 nan 8.270 nan 0.000 0.436 533 D N -0.131 120.204 120.400 -0.108 0.000 2.097 533 D HA -0.122 4.511 4.640 -0.013 0.000 0.197 533 D C 1.974 178.149 176.300 -0.207 0.000 0.984 533 D CA 1.253 55.174 54.000 -0.132 0.000 0.826 533 D CB -0.209 40.528 40.800 -0.105 0.000 0.973 533 D HN 0.086 nan 8.370 nan 0.000 0.460 534 V N 1.455 121.149 119.914 -0.366 0.000 2.287 534 V HA -0.264 3.848 4.120 -0.013 0.000 0.248 534 V C 2.513 178.514 176.094 -0.155 0.000 1.053 534 V CA 1.973 64.068 62.300 -0.340 0.000 1.027 534 V CB -0.819 30.716 31.823 -0.480 0.000 0.646 534 V HN 0.199 nan 8.190 nan 0.000 0.447 535 A N -0.638 122.112 122.820 -0.116 0.000 1.969 535 A HA -0.237 4.075 4.320 -0.013 0.000 0.218 535 A C 2.355 179.904 177.584 -0.058 0.000 1.169 535 A CA 2.020 54.022 52.037 -0.058 0.000 0.635 535 A CB -0.453 18.518 19.000 -0.050 0.000 0.810 535 A HN 0.530 nan 8.150 nan 0.000 0.445 536 K N -0.189 120.172 120.400 -0.065 0.000 2.057 536 K HA -0.078 4.234 4.320 -0.013 0.000 0.206 536 K C 1.814 178.389 176.600 -0.040 0.000 1.050 536 K CA 1.541 57.799 56.287 -0.049 0.000 0.935 536 K CB -0.253 32.221 32.500 -0.044 0.000 0.715 536 K HN 0.224 nan 8.250 nan 0.000 0.439 537 V N 1.772 121.656 119.914 -0.049 0.000 2.343 537 V HA -0.242 3.871 4.120 -0.013 0.000 0.247 537 V C 2.380 178.463 176.094 -0.019 0.000 1.051 537 V CA 1.962 64.242 62.300 -0.033 0.000 1.036 537 V CB -0.443 31.354 31.823 -0.044 0.000 0.654 537 V HN 0.348 nan 8.190 nan 0.000 0.451 538 K N 0.475 120.861 120.400 -0.023 0.000 2.026 538 K HA -0.219 4.093 4.320 -0.013 0.000 0.208 538 K C 2.167 178.746 176.600 -0.037 0.000 1.048 538 K CA 1.790 58.071 56.287 -0.011 0.000 0.929 538 K CB -0.503 32.006 32.500 0.015 0.000 0.713 538 K HN 0.390 nan 8.250 nan 0.000 0.439 539 Q N 1.081 120.853 119.800 -0.048 0.000 2.084 539 Q HA -0.134 4.198 4.340 -0.013 0.000 0.202 539 Q C 1.687 177.670 176.000 -0.029 0.000 0.978 539 Q CA 2.070 57.836 55.803 -0.062 0.000 0.844 539 Q CB -0.140 28.565 28.738 -0.055 0.000 0.898 539 Q HN 0.517 nan 8.270 nan 0.000 0.426 540 E N -0.451 119.744 120.200 -0.008 0.000 2.077 540 E HA -0.175 4.168 4.350 -0.013 0.000 0.193 540 E C 1.816 178.443 176.600 0.044 0.000 0.989 540 E CA 1.059 57.469 56.400 0.017 0.000 0.800 540 E CB -0.115 29.593 29.700 0.013 0.000 0.746 540 E HN 0.413 nan 8.360 nan 0.000 0.452 541 N N 1.000 119.724 118.700 0.040 0.000 2.120 541 N HA -0.147 4.585 4.740 -0.013 0.000 0.188 541 N C 1.529 177.121 175.510 0.137 0.000 1.024 541 N CA 1.110 54.205 53.050 0.075 0.000 0.852 541 N CB -0.119 38.398 38.487 0.049 0.000 1.003 541 N HN 0.134 nan 8.380 nan 0.000 0.424 542 K N 0.514 120.956 120.400 0.069 0.000 2.057 542 K HA 0.008 4.321 4.320 -0.013 0.000 0.206 542 K C 2.122 178.852 176.600 0.217 0.000 1.050 542 K CA 0.653 56.992 56.287 0.085 0.000 0.935 542 K CB -0.168 32.114 32.500 -0.364 0.000 0.715 542 K HN 0.105 nan 8.250 nan 0.000 0.439 543 L N 1.198 122.492 121.223 0.119 0.000 2.017 543 L HA -0.201 4.132 4.340 -0.013 0.000 0.208 543 L C 2.617 179.587 176.870 0.167 0.000 1.073 543 L CA 1.345 56.263 54.840 0.130 0.000 0.745 543 L CB -0.328 41.775 42.059 0.073 0.000 0.894 543 L HN 0.154 nan 8.230 nan 0.000 0.432 544 K N -0.358 120.143 120.400 0.168 0.000 2.057 544 K HA -0.236 4.076 4.320 -0.013 0.000 0.207 544 K C 2.188 178.942 176.600 0.257 0.000 1.049 544 K CA 1.596 57.989 56.287 0.178 0.000 0.931 544 K CB -0.137 32.451 32.500 0.147 0.000 0.714 544 K HN 0.097 nan 8.250 nan 0.000 0.440 545 F N 1.046 121.103 119.950 0.179 0.000 2.206 545 F HA -0.024 4.495 4.527 -0.012 0.000 0.298 545 F C 2.004 177.964 175.800 0.266 0.000 1.090 545 F CA 1.176 59.312 58.000 0.227 0.000 1.323 545 F CB -0.345 38.794 39.000 0.232 0.000 1.028 545 F HN 0.060 nan 8.300 nan 0.000 0.492 546 A N 0.143 123.138 122.820 0.292 0.000 1.972 546 A HA -0.056 4.256 4.320 -0.013 0.000 0.219 546 A C 2.363 179.989 177.584 0.070 0.000 1.169 546 A CA 1.658 53.797 52.037 0.172 0.000 0.635 546 A CB -1.404 17.759 19.000 0.272 0.000 0.810 546 A HN 0.447 nan 8.150 nan 0.000 0.446 547 A N -1.587 121.291 122.820 0.097 0.000 1.929 547 A HA -0.037 4.275 4.320 -0.013 0.000 0.216 547 A C 2.100 179.706 177.584 0.037 0.000 1.176 547 A CA 1.415 53.494 52.037 0.070 0.000 0.628 547 A CB -0.766 18.288 19.000 0.091 0.000 0.816 547 A HN 0.725 nan 8.150 nan 0.000 0.444 548 Y N 0.545 120.790 120.300 -0.092 0.000 2.181 548 Y HA -0.181 4.361 4.550 -0.012 0.000 0.288 548 Y C 1.934 177.739 175.900 -0.159 0.000 1.146 548 Y CA 1.871 59.892 58.100 -0.132 0.000 1.164 548 Y CB -0.204 38.157 38.460 -0.164 0.000 0.982 548 Y HN 0.211 nan 8.280 nan 0.000 0.515 549 L N 0.039 121.105 121.223 -0.261 0.000 2.046 549 L HA -0.210 4.123 4.340 -0.013 0.000 0.208 549 L C 2.409 179.182 176.870 -0.161 0.000 1.077 549 L CA 1.698 56.397 54.840 -0.235 0.000 0.747 549 L CB -0.508 41.408 42.059 -0.239 0.000 0.896 549 L HN 0.340 nan 8.230 nan 0.000 0.432 550 E N -0.226 119.903 120.200 -0.119 0.000 2.072 550 E HA -0.191 4.151 4.350 -0.013 0.000 0.191 550 E C 2.352 178.882 176.600 -0.117 0.000 0.985 550 E CA 0.891 57.243 56.400 -0.080 0.000 0.801 550 E CB 0.041 29.752 29.700 0.018 0.000 0.750 550 E HN 0.423 nan 8.360 nan 0.000 0.452 551 R N 0.529 120.939 120.500 -0.151 0.000 2.066 551 R HA -0.125 4.208 4.340 -0.013 0.000 0.232 551 R C 1.968 178.104 176.300 -0.273 0.000 1.131 551 R CA 1.207 57.206 56.100 -0.168 0.000 0.955 551 R CB -0.012 30.207 30.300 -0.135 0.000 0.851 551 R HN -0.004 nan 8.270 nan 0.000 0.432 552 E N -1.531 118.385 120.200 -0.473 0.000 2.364 552 E HA 0.008 4.351 4.350 -0.013 0.000 0.196 552 E C 0.248 176.345 176.600 -0.838 0.000 0.990 552 E CA 0.724 56.695 56.400 -0.714 0.000 0.886 552 E CB 0.496 29.545 29.700 -1.085 0.000 0.866 552 E HN 0.333 nan 8.360 nan 0.000 0.493 553 Y N -0.624 119.521 120.300 -0.259 0.000 2.610 553 Y HA 0.272 4.814 4.550 -0.013 0.000 0.254 553 Y C 0.086 175.887 175.900 -0.165 0.000 1.110 553 Y CA -0.547 57.447 58.100 -0.176 0.000 1.238 553 Y CB 0.879 39.240 38.460 -0.164 0.000 1.322 553 Y HN -0.282 nan 8.280 nan 0.000 0.547 554 K N 0.445 120.794 120.400 -0.084 0.000 3.016 554 K HA -0.139 4.173 4.320 -0.013 0.000 0.262 554 K C -0.368 176.045 176.600 -0.311 0.000 1.043 554 K CA 0.877 57.074 56.287 -0.150 0.000 0.761 554 K CB -2.288 30.155 32.500 -0.095 0.000 1.230 554 K HN 0.274 nan 8.250 nan 0.000 0.485 555 V N -1.881 117.880 119.914 -0.255 0.000 2.472 555 V HA 0.477 4.589 4.120 -0.013 0.000 0.290 555 V C 0.359 176.269 176.094 -0.308 0.000 1.037 555 V CA -0.799 61.315 62.300 -0.309 0.000 0.908 555 V CB 1.422 33.160 31.823 -0.142 0.000 0.985 555 V HN 0.267 nan 8.190 nan 0.000 0.454 556 H N 5.136 124.196 119.070 -0.017 0.000 2.519 556 H HA 0.763 5.312 4.556 -0.013 0.000 0.316 556 H C -0.035 175.285 175.328 -0.014 0.000 1.065 556 H CA -0.428 55.614 56.048 -0.011 0.000 1.264 556 H CB 1.516 31.275 29.762 -0.006 0.000 1.413 556 H HN 0.911 nan 8.280 nan 0.000 0.465 557 I N -0.265 120.377 120.570 0.120 0.000 2.689 557 I HA 0.426 4.589 4.170 -0.013 0.000 0.299 557 I C -0.503 175.702 176.117 0.147 0.000 1.059 557 I CA -1.349 60.006 61.300 0.091 0.000 1.055 557 I CB 2.130 40.144 38.000 0.023 0.000 1.243 557 I HN 0.372 nan 8.210 nan 0.000 0.425 558 N N 5.992 124.779 118.700 0.145 0.000 2.401 558 N HA 0.349 5.082 4.740 -0.013 0.000 0.255 558 N C -1.971 173.687 175.510 0.247 0.000 1.110 558 N CA -2.276 50.865 53.050 0.151 0.000 0.949 558 N CB 0.951 39.497 38.487 0.098 0.000 1.110 558 N HN 0.404 nan 8.380 nan 0.000 0.490 559 P HA 0.060 nan 4.420 nan 0.000 0.237 559 P C -0.130 177.158 177.300 -0.020 0.000 1.178 559 P CA 0.881 64.066 63.100 0.141 0.000 0.766 559 P CB 0.227 31.988 31.700 0.102 0.000 0.876 560 N N -1.136 117.585 118.700 0.035 0.000 2.353 560 N HA -0.003 4.730 4.740 -0.013 0.000 0.185 560 N C 0.375 175.911 175.510 0.043 0.000 1.098 560 N CA -0.041 53.018 53.050 0.015 0.000 0.872 560 N CB 0.007 38.513 38.487 0.032 0.000 0.970 560 N HN 0.131 nan 8.380 nan 0.000 0.467 561 S N 0.101 115.840 115.700 0.065 0.000 2.614 561 S HA 0.198 4.660 4.470 -0.013 0.000 0.265 561 S C 0.072 174.639 174.600 -0.056 0.000 1.303 561 S CA -0.920 57.305 58.200 0.042 0.000 1.000 561 S CB 1.032 64.291 63.200 0.100 0.000 0.935 561 S HN 0.184 nan 8.310 nan 0.000 0.551 562 L N 2.090 123.123 121.223 -0.315 0.000 2.418 562 L HA 0.339 4.672 4.340 -0.013 0.000 0.274 562 L C -0.859 175.990 176.870 -0.035 0.000 1.135 562 L CA -0.431 54.047 54.840 -0.603 0.000 0.870 562 L CB -0.224 41.213 42.059 -1.036 0.000 1.154 562 L HN 0.696 nan 8.230 nan 0.000 0.462 563 F N 4.287 124.106 119.950 -0.219 0.000 2.405 563 F HA 0.111 4.631 4.527 -0.011 0.000 0.358 563 F C 0.387 176.120 175.800 -0.112 0.000 1.151 563 F CA -0.818 57.118 58.000 -0.106 0.000 1.161 563 F CB 0.615 39.597 39.000 -0.029 0.000 1.245 563 F HN 0.513 nan 8.300 nan 0.000 0.545 564 D N 4.973 125.375 120.400 0.003 0.000 2.412 564 D HA 0.250 4.883 4.640 -0.013 0.000 0.224 564 D C -1.158 175.083 176.300 -0.098 0.000 1.093 564 D CA -0.123 53.835 54.000 -0.070 0.000 0.850 564 D CB 1.516 42.259 40.800 -0.095 0.000 1.046 564 D HN 0.274 nan 8.370 nan 0.000 0.507 565 V N 3.339 123.180 119.914 -0.122 0.000 2.656 565 V HA 0.552 4.665 4.120 -0.013 0.000 0.307 565 V C -1.446 174.503 176.094 -0.241 0.000 1.051 565 V CA -0.636 61.576 62.300 -0.147 0.000 0.893 565 V CB 1.839 33.627 31.823 -0.058 0.000 0.999 565 V HN 0.548 nan 8.190 nan 0.000 0.426 566 Q N 4.812 124.482 119.800 -0.217 0.000 2.394 566 Q HA 0.658 4.990 4.340 -0.013 0.000 0.261 566 Q C -1.443 174.392 176.000 -0.274 0.000 1.023 566 Q CA -0.637 55.022 55.803 -0.240 0.000 0.720 566 Q CB 1.848 30.472 28.738 -0.190 0.000 1.241 566 Q HN 1.086 nan 8.270 nan 0.000 0.483 567 V N 1.636 121.379 119.914 -0.286 0.000 2.444 567 V HA 0.868 4.981 4.120 -0.013 0.000 0.294 567 V C -0.960 174.868 176.094 -0.442 0.000 1.022 567 V CA -0.535 61.412 62.300 -0.587 0.000 0.850 567 V CB 1.156 32.401 31.823 -0.964 0.000 0.992 567 V HN 0.833 nan 8.190 nan 0.000 0.426 568 K N 2.554 122.730 120.400 -0.373 0.000 3.040 568 K HA 0.429 4.741 4.320 -0.013 0.000 0.300 568 K C -1.243 175.367 176.600 0.017 0.000 1.092 568 K CA -1.203 55.052 56.287 -0.053 0.000 0.831 568 K CB 0.825 33.287 32.500 -0.063 0.000 1.469 568 K HN 0.440 nan 8.250 nan 0.000 0.365 569 R N 0.991 121.567 120.500 0.126 0.000 2.640 569 R HA 0.149 4.482 4.340 -0.013 0.000 0.270 569 R C 0.338 176.675 176.300 0.061 0.000 1.024 569 R CA -0.318 55.866 56.100 0.140 0.000 1.085 569 R CB -0.153 30.285 30.300 0.230 0.000 0.963 569 R HN 0.472 nan 8.270 nan 0.000 0.426 570 I N 4.657 125.218 120.570 -0.016 0.000 2.517 570 I HA 0.082 4.245 4.170 -0.013 0.000 0.285 570 I C 0.816 176.783 176.117 -0.249 0.000 1.106 570 I CA 0.658 61.895 61.300 -0.104 0.000 1.402 570 I CB -0.294 37.648 38.000 -0.097 0.000 1.399 570 I HN 0.279 nan 8.210 nan 0.000 0.535 571 H N 4.331 123.297 119.070 -0.173 0.000 3.012 571 H HA 0.237 4.785 4.556 -0.013 0.000 0.367 571 H C 0.437 175.637 175.328 -0.213 0.000 1.211 571 H CA -0.484 55.484 56.048 -0.133 0.000 1.139 571 H CB 2.095 31.682 29.762 -0.292 0.000 1.838 571 H HN 0.514 nan 8.280 nan 0.000 0.550 572 E N 1.078 121.310 120.200 0.053 0.000 2.072 572 E HA -0.199 4.143 4.350 -0.013 0.000 0.191 572 E C 1.520 177.847 176.600 -0.455 0.000 0.985 572 E CA 1.498 57.851 56.400 -0.078 0.000 0.801 572 E CB 0.020 29.825 29.700 0.174 0.000 0.750 572 E HN 0.554 nan 8.360 nan 0.000 0.452 573 Y N 0.918 120.714 120.300 -0.841 0.000 2.293 573 Y HA -0.030 4.513 4.550 -0.013 0.000 0.291 573 Y C 1.557 177.195 175.900 -0.435 0.000 1.137 573 Y CA 0.929 58.373 58.100 -1.093 0.000 1.202 573 Y CB -0.103 37.773 38.460 -0.974 0.000 0.990 573 Y HN -0.211 nan 8.280 nan 0.000 0.537 574 K N 0.621 120.535 120.400 -0.810 0.000 2.366 574 K HA 0.063 4.376 4.320 -0.013 0.000 0.198 574 K C 0.129 176.554 176.600 -0.292 0.000 1.044 574 K CA 0.585 56.527 56.287 -0.576 0.000 0.973 574 K CB -0.030 32.128 32.500 -0.570 0.000 0.767 574 K HN 0.269 nan 8.250 nan 0.000 0.475 575 R N 0.399 120.756 120.500 -0.239 0.000 3.332 575 R HA -0.216 4.116 4.340 -0.013 0.000 0.263 575 R C 0.309 176.529 176.300 -0.135 0.000 1.053 575 R CA 0.190 56.201 56.100 -0.147 0.000 0.705 575 R CB -1.940 28.292 30.300 -0.114 0.000 1.166 575 R HN 0.286 nan 8.270 nan 0.000 0.427 576 Q N 0.390 120.111 119.800 -0.133 0.000 2.248 576 Q HA -0.094 4.239 4.340 -0.013 0.000 0.208 576 Q C 2.046 177.997 176.000 -0.081 0.000 0.984 576 Q CA 1.605 57.344 55.803 -0.105 0.000 0.875 576 Q CB -0.024 28.656 28.738 -0.097 0.000 0.910 576 Q HN 0.586 nan 8.270 nan 0.000 0.433 577 L N -0.621 120.557 121.223 -0.075 0.000 2.083 577 L HA -0.188 4.144 4.340 -0.013 0.000 0.209 577 L C 2.026 178.897 176.870 0.002 0.000 1.083 577 L CA 0.586 55.398 54.840 -0.047 0.000 0.752 577 L CB -0.329 41.713 42.059 -0.029 0.000 0.899 577 L HN 0.315 nan 8.230 nan 0.000 0.433 578 L N -0.003 121.212 121.223 -0.013 0.000 2.056 578 L HA -0.234 4.099 4.340 -0.013 0.000 0.207 578 L C 2.025 178.946 176.870 0.085 0.000 1.078 578 L CA 1.883 56.726 54.840 0.004 0.000 0.749 578 L CB -0.795 41.158 42.059 -0.176 0.000 0.901 578 L HN 0.271 nan 8.230 nan 0.000 0.433 579 N N -1.623 117.094 118.700 0.029 0.000 2.069 579 N HA -0.251 4.482 4.740 -0.013 0.000 0.191 579 N C 1.962 177.553 175.510 0.135 0.000 1.031 579 N CA 1.762 54.905 53.050 0.156 0.000 0.852 579 N CB -0.154 38.356 38.487 0.039 0.000 1.018 579 N HN 0.493 nan 8.380 nan 0.000 0.423 580 C N 0.576 119.892 119.300 0.026 0.000 2.401 580 C HA -0.108 4.345 4.460 -0.013 0.000 0.276 580 C C 2.581 177.564 174.990 -0.011 0.000 1.233 580 C CA 0.474 59.463 59.018 -0.049 0.000 1.753 580 C CB -1.293 26.366 27.740 -0.135 0.000 2.029 580 C HN 0.504 nan 8.230 nan 0.000 0.478 581 L N -0.446 120.831 121.223 0.089 0.000 2.083 581 L HA -0.182 4.151 4.340 -0.013 0.000 0.209 581 L C 2.751 179.778 176.870 0.261 0.000 1.083 581 L CA 1.723 56.662 54.840 0.165 0.000 0.752 581 L CB -1.045 41.167 42.059 0.256 0.000 0.899 581 L HN 0.592 nan 8.230 nan 0.000 0.433 582 H N 0.012 119.195 119.070 0.188 0.000 2.357 582 H HA -0.119 4.429 4.556 -0.013 0.000 0.301 582 H C 2.236 177.560 175.328 -0.007 0.000 1.082 582 H CA 1.744 57.822 56.048 0.049 0.000 1.342 582 H CB 0.346 30.056 29.762 -0.086 0.000 1.389 582 H HN 0.088 nan 8.280 nan 0.000 0.511 583 V N 1.645 121.487 119.914 -0.119 0.000 2.287 583 V HA -0.290 3.822 4.120 -0.013 0.000 0.248 583 V C 2.832 178.865 176.094 -0.102 0.000 1.053 583 V CA 2.028 64.224 62.300 -0.172 0.000 1.027 583 V CB -0.541 31.225 31.823 -0.096 0.000 0.646 583 V HN 0.383 nan 8.190 nan 0.000 0.447 584 I N -0.225 120.322 120.570 -0.040 0.000 2.286 584 I HA -0.218 3.944 4.170 -0.013 0.000 0.248 584 I C 2.498 178.676 176.117 0.102 0.000 1.115 584 I CA 1.714 63.060 61.300 0.077 0.000 1.392 584 I CB -0.762 37.264 38.000 0.044 0.000 1.065 584 I HN 0.320 nan 8.210 nan 0.000 0.418 585 T N 1.265 115.836 114.554 0.029 0.000 2.684 585 T HA -0.164 4.179 4.350 -0.013 0.000 0.267 585 T C 1.887 176.544 174.700 -0.071 0.000 1.036 585 T CA 1.275 63.382 62.100 0.012 0.000 1.148 585 T CB -0.291 68.611 68.868 0.056 0.000 0.863 585 T HN 0.081 nan 8.240 nan 0.000 0.436 586 L N 0.090 121.199 121.223 -0.190 0.000 2.012 586 L HA -0.035 4.298 4.340 -0.013 0.000 0.210 586 L C 2.115 178.949 176.870 -0.061 0.000 1.073 586 L CA 1.590 56.316 54.840 -0.191 0.000 0.748 586 L CB -1.074 40.797 42.059 -0.314 0.000 0.891 586 L HN 0.366 nan 8.230 nan 0.000 0.431 587 Y N 0.220 120.461 120.300 -0.098 0.000 2.145 587 Y HA -0.285 4.257 4.550 -0.013 0.000 0.286 587 Y C 2.446 178.332 175.900 -0.023 0.000 1.145 587 Y CA 1.844 59.926 58.100 -0.030 0.000 1.148 587 Y CB -0.124 38.365 38.460 0.048 0.000 0.981 587 Y HN 0.276 nan 8.280 nan 0.000 0.507 588 N N 0.488 119.158 118.700 -0.050 0.000 2.166 588 N HA -0.157 4.576 4.740 -0.013 0.000 0.186 588 N C 1.836 177.240 175.510 -0.177 0.000 1.019 588 N CA 1.571 54.528 53.050 -0.156 0.000 0.856 588 N CB -0.369 38.087 38.487 -0.052 0.000 0.993 588 N HN 0.444 nan 8.380 nan 0.000 0.426 589 R N 0.331 120.753 120.500 -0.130 0.000 2.075 589 R HA 0.073 4.405 4.340 -0.013 0.000 0.232 589 R C 2.228 178.445 176.300 -0.138 0.000 1.126 589 R CA 0.765 56.794 56.100 -0.117 0.000 0.963 589 R CB -0.256 29.986 30.300 -0.097 0.000 0.858 589 R HN 0.243 nan 8.270 nan 0.000 0.435 590 I N 0.945 121.413 120.570 -0.170 0.000 2.226 590 I HA -0.271 3.892 4.170 -0.013 0.000 0.245 590 I C 2.160 178.158 176.117 -0.198 0.000 1.100 590 I CA 1.205 62.403 61.300 -0.171 0.000 1.374 590 I CB -0.183 37.719 38.000 -0.163 0.000 1.057 590 I HN 0.019 nan 8.210 nan 0.000 0.413 591 K N 0.887 121.105 120.400 -0.303 0.000 2.147 591 K HA -0.195 4.118 4.320 -0.013 0.000 0.205 591 K C 2.043 178.542 176.600 -0.167 0.000 1.049 591 K CA 1.183 57.304 56.287 -0.277 0.000 0.936 591 K CB -0.291 31.966 32.500 -0.405 0.000 0.722 591 K HN 0.325 nan 8.250 nan 0.000 0.446 592 K N 1.118 121.428 120.400 -0.151 0.000 2.103 592 K HA -0.082 4.230 4.320 -0.013 0.000 0.204 592 K C 0.015 176.567 176.600 -0.079 0.000 1.052 592 K CA 1.054 57.279 56.287 -0.103 0.000 0.945 592 K CB 0.335 32.778 32.500 -0.094 0.000 0.722 592 K HN 0.063 nan 8.250 nan 0.000 0.443 593 E N 0.183 120.334 120.200 -0.081 0.000 3.108 593 E HA 0.120 4.462 4.350 -0.013 0.000 0.228 593 E C -2.319 174.246 176.600 -0.059 0.000 1.176 593 E CA -1.628 54.737 56.400 -0.058 0.000 0.881 593 E CB 1.717 31.389 29.700 -0.046 0.000 1.354 593 E HN 0.130 nan 8.360 nan 0.000 0.400 594 P HA -0.124 nan 4.420 nan 0.000 0.218 594 P C 0.230 177.512 177.300 -0.030 0.000 1.149 594 P CA 1.171 64.239 63.100 -0.053 0.000 0.817 594 P CB 0.205 31.878 31.700 -0.045 0.000 0.785 595 N N -1.210 117.481 118.700 -0.015 0.000 2.268 595 N HA 0.020 4.752 4.740 -0.013 0.000 0.204 595 N C 0.502 176.027 175.510 0.025 0.000 1.124 595 N CA -0.128 52.926 53.050 0.006 0.000 0.838 595 N CB 0.119 38.609 38.487 0.005 0.000 0.994 595 N HN -0.011 nan 8.380 nan 0.000 0.489 596 K N 1.245 121.654 120.400 0.016 0.000 2.172 596 K HA 0.146 4.459 4.320 -0.013 0.000 0.276 596 K C -0.950 175.690 176.600 0.066 0.000 1.013 596 K CA -0.570 55.741 56.287 0.041 0.000 0.913 596 K CB 0.679 33.184 32.500 0.008 0.000 1.055 596 K HN -0.050 nan 8.250 nan 0.000 0.461 597 F N 4.803 124.740 119.950 -0.022 0.000 2.495 597 F HA 0.186 4.705 4.527 -0.013 0.000 0.365 597 F C -0.348 175.438 175.800 -0.023 0.000 1.090 597 F CA -0.138 57.850 58.000 -0.020 0.000 1.235 597 F CB 0.574 39.565 39.000 -0.015 0.000 1.119 597 F HN 0.183 nan 8.300 nan 0.000 0.562 598 V N 4.292 123.704 119.914 -0.837 0.000 2.876 598 V HA 0.547 4.660 4.120 -0.013 0.000 0.312 598 V C -0.640 174.844 176.094 -1.017 0.000 1.085 598 V CA -1.240 60.647 62.300 -0.689 0.000 0.945 598 V CB 1.041 32.659 31.823 -0.342 0.000 1.017 598 V HN 0.566 nan 8.190 nan 0.000 0.428 599 V N 4.650 124.225 119.914 -0.565 0.000 2.493 599 V HA 0.179 4.292 4.120 -0.013 0.000 0.292 599 V C -1.848 174.073 176.094 -0.289 0.000 1.016 599 V CA -0.419 61.683 62.300 -0.330 0.000 1.097 599 V CB 0.311 32.075 31.823 -0.099 0.000 0.947 599 V HN 0.900 nan 8.190 nan 0.000 0.479 600 P HA 0.332 nan 4.420 nan 0.000 0.271 600 P C -0.404 176.806 177.300 -0.150 0.000 1.216 600 P CA -0.063 62.943 63.100 -0.156 0.000 0.771 600 P CB 0.537 32.194 31.700 -0.072 0.000 0.864 601 R N 1.187 121.611 120.500 -0.126 0.000 2.686 601 R HA 0.545 4.878 4.340 -0.013 0.000 0.286 601 R C -0.690 175.573 176.300 -0.060 0.000 0.969 601 R CA -0.602 55.428 56.100 -0.117 0.000 0.898 601 R CB 1.901 32.117 30.300 -0.140 0.000 1.183 601 R HN 0.313 nan 8.270 nan 0.000 0.456 602 T N 2.269 116.807 114.554 -0.027 0.000 2.770 602 T HA 0.236 4.579 4.350 -0.013 0.000 0.297 602 T C -0.278 174.346 174.700 -0.128 0.000 0.997 602 T CA -0.492 61.555 62.100 -0.088 0.000 0.949 602 T CB 1.129 69.890 68.868 -0.178 0.000 0.941 602 T HN 0.133 nan 8.240 nan 0.000 0.457 603 V N 6.044 125.888 119.914 -0.115 0.000 2.385 603 V HA 0.392 4.505 4.120 -0.013 0.000 0.269 603 V C 0.100 176.118 176.094 -0.127 0.000 1.043 603 V CA -0.404 61.831 62.300 -0.108 0.000 0.906 603 V CB 0.461 32.236 31.823 -0.080 0.000 0.995 603 V HN 0.856 nan 8.190 nan 0.000 0.467 604 M N 6.806 126.318 119.600 -0.148 0.000 2.227 604 M HA 0.625 5.098 4.480 -0.013 0.000 0.335 604 M C -0.977 175.212 176.300 -0.184 0.000 1.053 604 M CA -0.205 54.996 55.300 -0.164 0.000 0.973 604 M CB 1.972 34.468 32.600 -0.173 0.000 1.623 604 M HN 0.394 nan 8.290 nan 0.000 0.434 605 I N 1.891 122.331 120.570 -0.216 0.000 2.466 605 I HA 0.810 4.973 4.170 -0.013 0.000 0.289 605 I C 0.072 175.843 176.117 -0.577 0.000 1.026 605 I CA -0.622 60.515 61.300 -0.271 0.000 1.078 605 I CB 2.255 40.185 38.000 -0.118 0.000 1.249 605 I HN 0.822 nan 8.210 nan 0.000 0.429 606 G N 3.030 111.463 108.800 -0.612 0.000 2.660 606 G HA2 0.850 4.803 3.960 -0.013 0.000 0.294 606 G HA3 0.850 4.803 3.960 -0.013 0.000 0.294 606 G C -0.954 173.641 174.900 -0.508 0.000 1.369 606 G CA -0.835 43.770 45.100 -0.824 0.000 0.912 606 G HN 0.987 nan 8.290 nan 0.000 0.479 607 G N -0.356 108.295 108.800 -0.249 0.000 2.352 607 G HA2 0.394 4.346 3.960 -0.013 0.000 0.305 607 G HA3 0.394 4.346 3.960 -0.013 0.000 0.305 607 G C -1.269 173.755 174.900 0.207 0.000 1.537 607 G CA -1.045 44.085 45.100 0.050 0.000 0.959 607 G HN 0.613 nan 8.290 nan 0.000 0.668 608 K N -0.097 120.423 120.400 0.200 0.000 2.118 608 K HA 0.743 5.056 4.320 -0.013 0.000 0.267 608 K C 0.324 177.042 176.600 0.197 0.000 0.991 608 K CA -0.136 56.285 56.287 0.224 0.000 0.916 608 K CB 1.967 34.507 32.500 0.066 0.000 1.041 608 K HN 0.869 nan 8.250 nan 0.000 0.455 609 A N 1.439 124.406 122.820 0.245 0.000 2.312 609 A HA 0.627 4.939 4.320 -0.013 0.000 0.326 609 A C -0.411 177.333 177.584 0.267 0.000 1.172 609 A CA -0.723 51.397 52.037 0.139 0.000 0.821 609 A CB 0.956 19.968 19.000 0.020 0.000 1.166 609 A HN 0.782 nan 8.150 nan 0.000 0.493 610 A N 3.426 126.377 122.820 0.218 0.000 2.540 610 A HA 0.446 4.759 4.320 -0.013 0.000 0.239 610 A C -1.417 176.244 177.584 0.130 0.000 1.061 610 A CA -0.699 51.473 52.037 0.225 0.000 0.758 610 A CB -0.374 18.722 19.000 0.160 0.000 0.991 610 A HN 0.595 nan 8.150 nan 0.000 0.502 611 P HA -0.123 nan 4.420 nan 0.000 0.217 611 P C 1.322 178.612 177.300 -0.016 0.000 1.148 611 P CA 1.924 64.964 63.100 -0.099 0.000 0.828 611 P CB 0.201 31.785 31.700 -0.193 0.000 0.783 612 G N -2.922 105.895 108.800 0.028 0.000 3.042 612 G HA2 -0.090 3.863 3.960 -0.013 0.000 0.212 612 G HA3 -0.090 3.863 3.960 -0.013 0.000 0.212 612 G C -0.158 174.793 174.900 0.086 0.000 1.166 612 G CA -0.126 44.998 45.100 0.041 0.000 0.767 612 G HN 0.307 nan 8.290 nan 0.000 0.546 613 Y N 1.685 121.942 120.300 -0.073 0.000 2.650 613 Y HA 0.184 4.726 4.550 -0.013 0.000 0.343 613 Y C 1.633 177.525 175.900 -0.013 0.000 1.078 613 Y CA -1.038 57.002 58.100 -0.100 0.000 1.356 613 Y CB 0.119 38.478 38.460 -0.168 0.000 1.204 613 Y HN 0.290 nan 8.280 nan 0.000 0.508 614 H N 4.140 123.338 119.070 0.213 0.000 2.319 614 H HA -0.221 4.327 4.556 -0.012 0.000 0.299 614 H C 1.817 177.170 175.328 0.041 0.000 1.092 614 H CA 2.317 58.426 56.048 0.101 0.000 1.302 614 H CB 0.382 30.198 29.762 0.091 0.000 1.373 614 H HN 0.727 nan 8.280 nan 0.000 0.497 615 M N 1.007 120.596 119.600 -0.019 0.000 2.108 615 M HA -0.088 4.385 4.480 -0.013 0.000 0.261 615 M C 2.560 178.620 176.300 -0.401 0.000 1.066 615 M CA 1.868 57.066 55.300 -0.170 0.000 1.107 615 M CB -0.724 31.904 32.600 0.046 0.000 1.356 615 M HN 0.337 nan 8.290 nan 0.000 0.406 616 A N -0.410 121.924 122.820 -0.810 0.000 1.933 616 A HA -0.196 4.116 4.320 -0.013 0.000 0.218 616 A C 2.196 179.573 177.584 -0.345 0.000 1.175 616 A CA 1.884 53.491 52.037 -0.716 0.000 0.628 616 A CB -0.664 17.700 19.000 -1.062 0.000 0.814 616 A HN 0.587 nan 8.150 nan 0.000 0.444 617 K N -1.139 119.110 120.400 -0.251 0.000 2.097 617 K HA -0.065 4.247 4.320 -0.013 0.000 0.205 617 K C 1.944 178.495 176.600 -0.083 0.000 1.050 617 K CA 1.294 57.523 56.287 -0.097 0.000 0.938 617 K CB -0.227 32.276 32.500 0.004 0.000 0.718 617 K HN 0.344 nan 8.250 nan 0.000 0.442 618 M N 0.537 120.037 119.600 -0.166 0.000 2.229 618 M HA -0.091 4.382 4.480 -0.013 0.000 0.264 618 M C 2.104 178.342 176.300 -0.104 0.000 1.063 618 M CA 1.411 56.653 55.300 -0.096 0.000 1.114 618 M CB -0.638 31.888 32.600 -0.123 0.000 1.387 618 M HN 0.130 nan 8.290 nan 0.000 0.420 619 I N -0.240 120.231 120.570 -0.165 0.000 2.252 619 I HA -0.295 3.867 4.170 -0.013 0.000 0.245 619 I C 2.280 178.274 176.117 -0.204 0.000 1.102 619 I CA 1.017 62.211 61.300 -0.176 0.000 1.385 619 I CB -0.323 37.571 38.000 -0.176 0.000 1.064 619 I HN 0.166 nan 8.210 nan 0.000 0.414 620 I N 0.727 121.159 120.570 -0.230 0.000 2.163 620 I HA -0.325 3.838 4.170 -0.013 0.000 0.243 620 I C 2.621 178.462 176.117 -0.461 0.000 1.085 620 I CA 1.341 62.411 61.300 -0.383 0.000 1.347 620 I CB -0.351 37.399 38.000 -0.416 0.000 1.044 620 I HN 0.163 nan 8.210 nan 0.000 0.408 621 K N 1.518 121.658 120.400 -0.433 0.000 2.063 621 K HA -0.166 4.146 4.320 -0.013 0.000 0.208 621 K C 2.055 178.494 176.600 -0.269 0.000 1.048 621 K CA 1.538 57.486 56.287 -0.565 0.000 0.928 621 K CB -0.626 31.252 32.500 -1.038 0.000 0.713 621 K HN 0.226 nan 8.250 nan 0.000 0.442 622 L N 0.417 121.524 121.223 -0.193 0.000 2.012 622 L HA -0.211 4.122 4.340 -0.013 0.000 0.210 622 L C 2.232 178.875 176.870 -0.377 0.000 1.073 622 L CA 1.899 56.464 54.840 -0.458 0.000 0.748 622 L CB -0.341 41.363 42.059 -0.591 0.000 0.891 622 L HN 0.285 nan 8.230 nan 0.000 0.431 623 I N -0.257 120.143 120.570 -0.283 0.000 2.163 623 I HA -0.342 3.820 4.170 -0.013 0.000 0.243 623 I C 2.640 178.657 176.117 -0.167 0.000 1.085 623 I CA 1.956 63.143 61.300 -0.189 0.000 1.347 623 I CB -0.624 37.351 38.000 -0.043 0.000 1.044 623 I HN 0.440 nan 8.210 nan 0.000 0.408 624 T N -0.795 113.629 114.554 -0.217 0.000 2.821 624 T HA -0.083 4.260 4.350 -0.013 0.000 0.267 624 T C 2.002 176.631 174.700 -0.119 0.000 1.046 624 T CA 0.949 62.947 62.100 -0.171 0.000 1.139 624 T CB -0.529 68.186 68.868 -0.253 0.000 0.871 624 T HN 0.341 nan 8.240 nan 0.000 0.454 625 A N 1.505 124.251 122.820 -0.123 0.000 1.933 625 A HA 0.125 4.437 4.320 -0.013 0.000 0.218 625 A C 2.378 179.968 177.584 0.011 0.000 1.175 625 A CA 1.339 53.369 52.037 -0.012 0.000 0.628 625 A CB -0.822 18.267 19.000 0.149 0.000 0.814 625 A HN 0.608 nan 8.150 nan 0.000 0.444 626 I N -0.376 120.103 120.570 -0.151 0.000 2.202 626 I HA -0.174 3.989 4.170 -0.013 0.000 0.242 626 I C 2.728 178.805 176.117 -0.067 0.000 1.091 626 I CA 1.071 62.267 61.300 -0.175 0.000 1.368 626 I CB -0.678 37.098 38.000 -0.373 0.000 1.058 626 I HN 0.379 nan 8.210 nan 0.000 0.410 627 G N 0.581 109.338 108.800 -0.071 0.000 2.440 627 G HA2 -0.273 3.680 3.960 -0.013 0.000 0.218 627 G HA3 -0.273 3.680 3.960 -0.013 0.000 0.218 627 G C 1.259 176.174 174.900 0.026 0.000 1.154 627 G CA 1.077 46.153 45.100 -0.040 0.000 0.767 627 G HN 0.286 nan 8.290 nan 0.000 0.552 628 D N -0.025 120.413 120.400 0.062 0.000 2.149 628 D HA -0.084 4.548 4.640 -0.013 0.000 0.198 628 D C 2.695 179.091 176.300 0.159 0.000 0.990 628 D CA 0.730 54.812 54.000 0.137 0.000 0.839 628 D CB -0.189 40.630 40.800 0.033 0.000 0.948 628 D HN 0.261 nan 8.370 nan 0.000 0.460 629 V N 0.108 120.051 119.914 0.049 0.000 2.331 629 V HA -0.127 3.985 4.120 -0.013 0.000 0.242 629 V C 2.584 178.635 176.094 -0.071 0.000 1.034 629 V CA 0.733 63.002 62.300 -0.052 0.000 1.027 629 V CB -0.249 31.479 31.823 -0.157 0.000 0.667 629 V HN 0.024 nan 8.190 nan 0.000 0.457 630 V N 0.938 120.760 119.914 -0.155 0.000 2.358 630 V HA -0.189 3.923 4.120 -0.013 0.000 0.246 630 V C 2.142 178.207 176.094 -0.048 0.000 1.047 630 V CA 1.954 64.154 62.300 -0.166 0.000 1.035 630 V CB -0.837 30.878 31.823 -0.179 0.000 0.658 630 V HN 0.562 nan 8.190 nan 0.000 0.452 631 N N -0.319 118.311 118.700 -0.117 0.000 2.512 631 N HA -0.084 4.649 4.740 -0.013 0.000 0.183 631 N C 1.216 176.460 175.510 -0.444 0.000 1.073 631 N CA 0.913 53.791 53.050 -0.286 0.000 0.911 631 N CB -0.225 38.018 38.487 -0.406 0.000 0.964 631 N HN 0.684 nan 8.380 nan 0.000 0.447 632 H N -1.580 117.498 119.070 0.012 0.000 2.893 632 H HA 0.202 4.751 4.556 -0.012 0.000 0.270 632 H C -0.467 174.881 175.328 0.033 0.000 1.095 632 H CA -0.512 55.546 56.048 0.017 0.000 1.186 632 H CB 0.632 30.393 29.762 -0.001 0.000 1.562 632 H HN -0.022 nan 8.280 nan 0.000 0.536 633 D N 1.891 122.371 120.400 0.133 0.000 2.325 633 D HA 0.029 4.662 4.640 -0.013 0.000 0.251 633 D C -1.584 174.776 176.300 0.100 0.000 1.196 633 D CA -1.945 52.144 54.000 0.148 0.000 0.866 633 D CB 1.626 42.590 40.800 0.272 0.000 1.101 633 D HN 0.110 nan 8.370 nan 0.000 0.476 634 P HA -0.109 nan 4.420 nan 0.000 0.218 634 P C 1.528 178.850 177.300 0.037 0.000 1.149 634 P CA 0.358 63.487 63.100 0.049 0.000 0.817 634 P CB 0.411 32.136 31.700 0.041 0.000 0.785 635 V N -0.689 119.248 119.914 0.038 0.000 2.515 635 V HA -0.154 3.959 4.120 -0.013 0.000 0.250 635 V C 2.405 178.503 176.094 0.007 0.000 1.058 635 V CA 1.434 63.742 62.300 0.013 0.000 1.064 635 V CB -0.977 30.843 31.823 -0.006 0.000 0.675 635 V HN -0.014 nan 8.190 nan 0.000 0.461 636 V N -0.143 119.793 119.914 0.036 0.000 2.379 636 V HA 0.129 4.242 4.120 -0.013 0.000 0.245 636 V C 1.817 177.919 176.094 0.012 0.000 1.044 636 V CA 1.545 63.866 62.300 0.034 0.000 1.036 636 V CB -1.178 30.713 31.823 0.112 0.000 0.664 636 V HN 0.723 nan 8.190 nan 0.000 0.453 637 G N 1.635 110.446 108.800 0.018 0.000 2.550 637 G HA2 -0.357 3.595 3.960 -0.013 0.000 0.277 637 G HA3 -0.357 3.595 3.960 -0.013 0.000 0.277 637 G C 0.188 175.088 174.900 0.000 0.000 1.190 637 G CA 0.438 45.542 45.100 0.008 0.000 0.971 637 G HN 0.695 nan 8.290 nan 0.000 0.559 638 D N 0.225 120.624 120.400 -0.002 0.000 2.491 638 D HA 0.245 4.877 4.640 -0.013 0.000 0.228 638 D C 1.719 178.010 176.300 -0.015 0.000 1.183 638 D CA -0.014 53.985 54.000 -0.002 0.000 0.827 638 D CB -0.002 40.805 40.800 0.012 0.000 0.989 638 D HN 0.587 nan 8.370 nan 0.000 0.494 639 R N -0.705 119.775 120.500 -0.032 0.000 2.200 639 R HA 0.235 4.568 4.340 -0.013 0.000 0.208 639 R C -0.125 176.131 176.300 -0.073 0.000 1.033 639 R CA 0.209 56.266 56.100 -0.072 0.000 1.000 639 R CB 0.348 30.588 30.300 -0.100 0.000 0.906 639 R HN 0.120 nan 8.270 nan 0.000 0.462 640 L N 0.628 121.826 121.223 -0.041 0.000 2.505 640 L HA 0.383 4.715 4.340 -0.013 0.000 0.266 640 L C -1.598 175.253 176.870 -0.033 0.000 0.954 640 L CA -0.463 54.353 54.840 -0.039 0.000 0.852 640 L CB 1.808 43.858 42.059 -0.016 0.000 1.282 640 L HN -0.183 nan 8.230 nan 0.000 0.403 641 R N 3.920 124.389 120.500 -0.051 0.000 2.575 641 R HA 0.749 5.082 4.340 -0.013 0.000 0.293 641 R C -1.647 174.606 176.300 -0.079 0.000 0.983 641 R CA -0.779 55.282 56.100 -0.064 0.000 0.887 641 R CB 2.421 32.686 30.300 -0.060 0.000 1.184 641 R HN 0.410 nan 8.270 nan 0.000 0.445 642 V N 5.045 124.910 119.914 -0.080 0.000 2.378 642 V HA 0.476 4.589 4.120 -0.013 0.000 0.288 642 V C -0.250 175.805 176.094 -0.064 0.000 1.016 642 V CA -0.699 61.555 62.300 -0.077 0.000 0.840 642 V CB 1.535 33.310 31.823 -0.080 0.000 0.994 642 V HN 0.537 nan 8.190 nan 0.000 0.431 643 I N 4.903 125.433 120.570 -0.067 0.000 2.436 643 I HA 0.427 4.589 4.170 -0.013 0.000 0.289 643 I C -0.607 175.496 176.117 -0.023 0.000 1.010 643 I CA -0.329 60.941 61.300 -0.050 0.000 1.098 643 I CB 1.878 39.825 38.000 -0.088 0.000 1.266 643 I HN 0.544 nan 8.210 nan 0.000 0.434 644 F N 7.174 127.055 119.950 -0.115 0.000 2.421 644 F HA 0.433 4.952 4.527 -0.012 0.000 0.358 644 F C -0.438 175.290 175.800 -0.119 0.000 1.115 644 F CA -0.578 57.356 58.000 -0.111 0.000 1.160 644 F CB 0.586 39.523 39.000 -0.104 0.000 1.123 644 F HN 0.169 nan 8.300 nan 0.000 0.508 645 L N 6.278 127.137 121.223 -0.606 0.000 2.407 645 L HA 0.149 4.482 4.340 -0.013 0.000 0.282 645 L C 0.281 176.911 176.870 -0.400 0.000 1.110 645 L CA 0.128 54.728 54.840 -0.400 0.000 0.863 645 L CB 0.138 42.042 42.059 -0.259 0.000 1.207 645 L HN 0.605 nan 8.230 nan 0.000 0.454 646 E N 3.530 123.620 120.200 -0.183 0.000 2.373 646 E HA 0.000 4.343 4.350 -0.013 0.000 0.267 646 E C 0.399 177.059 176.600 0.101 0.000 1.032 646 E CA -0.279 56.151 56.400 0.050 0.000 0.889 646 E CB 0.349 30.058 29.700 0.015 0.000 0.984 646 E HN 0.544 nan 8.360 nan 0.000 0.425 647 N N 2.572 121.388 118.700 0.194 0.000 2.756 647 N HA -0.273 4.459 4.740 -0.013 0.000 0.248 647 N C -1.561 174.047 175.510 0.162 0.000 1.062 647 N CA 0.520 53.681 53.050 0.185 0.000 0.696 647 N CB -1.710 36.900 38.487 0.206 0.000 0.946 647 N HN 0.507 nan 8.380 nan 0.000 0.548 648 Y N 1.604 121.916 120.300 0.021 0.000 2.721 648 Y HA 0.166 4.708 4.550 -0.013 0.000 0.329 648 Y C 1.169 177.090 175.900 0.035 0.000 1.211 648 Y CA 0.763 58.864 58.100 0.002 0.000 1.512 648 Y CB 0.296 38.725 38.460 -0.051 0.000 1.249 648 Y HN 0.377 nan 8.280 nan 0.000 0.549 649 R N 2.346 122.496 120.500 -0.584 0.000 2.756 649 R HA 0.428 4.760 4.340 -0.013 0.000 0.273 649 R C -0.593 175.382 176.300 -0.542 0.000 1.030 649 R CA -0.578 55.273 56.100 -0.416 0.000 0.887 649 R CB 0.274 30.516 30.300 -0.098 0.000 1.274 649 R HN 0.346 nan 8.270 nan 0.000 0.461 650 V N 1.093 120.747 119.914 -0.433 0.000 2.287 650 V HA -0.275 3.838 4.120 -0.013 0.000 0.248 650 V C 2.607 178.578 176.094 -0.203 0.000 1.053 650 V CA 2.771 64.864 62.300 -0.345 0.000 1.027 650 V CB -0.784 30.815 31.823 -0.374 0.000 0.646 650 V HN 0.916 nan 8.190 nan 0.000 0.447 651 S N 0.079 115.681 115.700 -0.162 0.000 2.399 651 S HA -0.184 4.279 4.470 -0.013 0.000 0.231 651 S C 1.936 176.483 174.600 -0.087 0.000 1.022 651 S CA 1.694 59.823 58.200 -0.118 0.000 0.983 651 S CB -0.512 62.645 63.200 -0.071 0.000 0.803 651 S HN 0.394 nan 8.310 nan 0.000 0.480 652 L N 1.936 123.119 121.223 -0.068 0.000 2.109 652 L HA 0.328 4.660 4.340 -0.013 0.000 0.207 652 L C 2.720 179.622 176.870 0.054 0.000 1.086 652 L CA 1.398 56.251 54.840 0.023 0.000 0.760 652 L CB -1.285 40.848 42.059 0.124 0.000 0.910 652 L HN 0.351 nan 8.230 nan 0.000 0.437 653 A N -0.598 122.221 122.820 -0.001 0.000 1.917 653 A HA -0.265 4.048 4.320 -0.013 0.000 0.219 653 A C 2.133 179.789 177.584 0.119 0.000 1.182 653 A CA 2.008 54.126 52.037 0.135 0.000 0.633 653 A CB -0.655 18.414 19.000 0.115 0.000 0.819 653 A HN 0.610 nan 8.150 nan 0.000 0.448 654 E N -0.511 119.728 120.200 0.065 0.000 2.268 654 E HA -0.154 4.188 4.350 -0.013 0.000 0.195 654 E C 1.915 178.490 176.600 -0.042 0.000 0.995 654 E CA 1.152 57.544 56.400 -0.014 0.000 0.836 654 E CB -0.055 29.544 29.700 -0.169 0.000 0.763 654 E HN 0.630 nan 8.360 nan 0.000 0.491 655 K N 0.086 120.458 120.400 -0.048 0.000 2.099 655 K HA 0.016 4.328 4.320 -0.013 0.000 0.203 655 K C 2.154 178.651 176.600 -0.172 0.000 1.047 655 K CA 0.489 56.756 56.287 -0.033 0.000 0.963 655 K CB 0.053 32.542 32.500 -0.018 0.000 0.759 655 K HN -0.039 nan 8.250 nan 0.000 0.451 656 V N 1.710 121.438 119.914 -0.311 0.000 2.535 656 V HA -0.103 4.010 4.120 -0.013 0.000 0.246 656 V C 1.884 177.755 176.094 -0.371 0.000 1.045 656 V CA 1.081 62.959 62.300 -0.702 0.000 1.058 656 V CB -0.121 31.373 31.823 -0.548 0.000 0.689 656 V HN 0.228 nan 8.190 nan 0.000 0.461 657 I N 0.830 121.233 120.570 -0.279 0.000 2.163 657 I HA -0.136 4.026 4.170 -0.013 0.000 0.243 657 I C -0.247 175.758 176.117 -0.186 0.000 1.085 657 I CA 1.685 62.742 61.300 -0.404 0.000 1.347 657 I CB -1.520 36.114 38.000 -0.609 0.000 1.044 657 I HN 0.366 nan 8.210 nan 0.000 0.408 658 P HA -0.123 nan 4.420 nan 0.000 0.222 658 P C 1.023 178.326 177.300 0.005 0.000 1.147 658 P CA 1.290 64.373 63.100 -0.027 0.000 0.790 658 P CB 0.010 31.704 31.700 -0.010 0.000 0.780 659 A N -1.041 121.767 122.820 -0.020 0.000 2.218 659 A HA 0.429 4.742 4.320 -0.013 0.000 0.209 659 A C 1.227 178.916 177.584 0.175 0.000 1.168 659 A CA 0.198 52.277 52.037 0.069 0.000 0.804 659 A CB -0.743 18.296 19.000 0.064 0.000 0.834 659 A HN 0.207 nan 8.150 nan 0.000 0.482 660 A N 0.015 122.932 122.820 0.162 0.000 2.388 660 A HA 0.453 4.765 4.320 -0.013 0.000 0.257 660 A C 0.371 178.105 177.584 0.250 0.000 1.095 660 A CA -0.141 52.055 52.037 0.266 0.000 0.791 660 A CB 0.316 19.566 19.000 0.417 0.000 1.029 660 A HN 0.286 nan 8.150 nan 0.000 0.489 661 D N 0.555 121.103 120.400 0.247 0.000 2.323 661 D HA 0.115 4.748 4.640 -0.013 0.000 0.218 661 D C 0.063 176.580 176.300 0.361 0.000 0.973 661 D CA 0.776 54.969 54.000 0.322 0.000 0.890 661 D CB 0.296 41.200 40.800 0.173 0.000 1.011 661 D HN 0.366 nan 8.370 nan 0.000 0.499 662 L N 1.015 122.336 121.223 0.162 0.000 2.381 662 L HA 0.294 4.627 4.340 -0.013 0.000 0.274 662 L C -0.931 175.837 176.870 -0.171 0.000 0.988 662 L CA -0.296 54.565 54.840 0.034 0.000 0.824 662 L CB 2.138 44.186 42.059 -0.018 0.000 1.263 662 L HN -0.191 nan 8.230 nan 0.000 0.410 663 S N 4.253 119.764 115.700 -0.315 0.000 2.429 663 S HA 0.355 4.818 4.470 -0.013 0.000 0.302 663 S C -0.458 173.864 174.600 -0.464 0.000 1.115 663 S CA -0.655 57.115 58.200 -0.717 0.000 1.095 663 S CB 0.730 63.435 63.200 -0.824 0.000 0.987 663 S HN 0.566 nan 8.310 nan 0.000 0.474 664 E N 4.103 124.037 120.200 -0.443 0.000 2.089 664 E HA 0.218 4.560 4.350 -0.013 0.000 0.284 664 E C -0.580 175.898 176.600 -0.203 0.000 1.023 664 E CA -0.442 55.823 56.400 -0.224 0.000 0.819 664 E CB 1.046 30.647 29.700 -0.165 0.000 1.076 664 E HN 0.599 nan 8.360 nan 0.000 0.396 665 Q N 2.841 122.577 119.800 -0.107 0.000 2.907 665 Q HA 0.275 4.607 4.340 -0.013 0.000 0.262 665 Q C 0.602 176.582 176.000 -0.033 0.000 0.997 665 Q CA -0.131 55.624 55.803 -0.080 0.000 0.797 665 Q CB 0.256 28.960 28.738 -0.057 0.000 1.228 665 Q HN 0.619 nan 8.270 nan 0.000 0.466 666 I N -1.787 118.749 120.570 -0.057 0.000 3.569 666 I HA 0.274 4.437 4.170 -0.013 0.000 0.334 666 I C 0.391 176.454 176.117 -0.089 0.000 1.570 666 I CA -0.686 60.593 61.300 -0.034 0.000 1.082 666 I CB 0.540 38.530 38.000 -0.017 0.000 1.323 666 I HN 0.005 nan 8.210 nan 0.000 0.489 667 S N 0.463 116.108 115.700 -0.092 0.000 2.573 667 S HA 0.182 4.645 4.470 -0.013 0.000 0.277 667 S C 0.576 175.158 174.600 -0.030 0.000 1.346 667 S CA -0.240 57.923 58.200 -0.060 0.000 1.034 667 S CB 0.284 63.488 63.200 0.007 0.000 0.879 667 S HN 0.385 nan 8.310 nan 0.000 0.528 668 T N 2.712 117.286 114.554 0.033 0.000 2.902 668 T HA 0.380 4.723 4.350 -0.013 0.000 0.301 668 T C 0.755 175.472 174.700 0.028 0.000 1.012 668 T CA 0.234 62.362 62.100 0.047 0.000 1.151 668 T CB -0.036 68.930 68.868 0.164 0.000 0.946 668 T HN 1.019 nan 8.240 nan 0.000 0.542 669 A N 2.778 125.582 122.820 -0.028 0.000 2.580 669 A HA 0.440 4.752 4.320 -0.013 0.000 0.244 669 A C 1.647 179.230 177.584 -0.002 0.000 1.045 669 A CA 0.315 52.332 52.037 -0.033 0.000 0.761 669 A CB -0.924 18.042 19.000 -0.056 0.000 0.962 669 A HN 1.744 nan 8.150 nan 0.000 0.512 670 G N 1.390 110.190 108.800 -0.000 0.000 2.176 670 G HA2 -0.233 3.720 3.960 -0.013 0.000 0.232 670 G HA3 -0.233 3.720 3.960 -0.013 0.000 0.232 670 G C 0.854 175.758 174.900 0.006 0.000 0.986 670 G CA 1.103 46.205 45.100 0.005 0.000 0.643 670 G HN 1.997 nan 8.290 nan 0.000 0.522 671 T N -2.499 112.064 114.554 0.015 0.000 3.038 671 T HA 0.403 4.745 4.350 -0.013 0.000 0.244 671 T C 0.760 175.370 174.700 -0.151 0.000 1.016 671 T CA 1.054 63.122 62.100 -0.053 0.000 1.098 671 T CB 0.514 69.421 68.868 0.065 0.000 0.954 671 T HN 0.264 nan 8.240 nan 0.000 0.469 672 E N 1.598 121.821 120.200 0.038 0.000 1.996 672 E HA 0.655 4.997 4.350 -0.013 0.000 0.280 672 E C 1.168 177.739 176.600 -0.047 0.000 1.092 672 E CA 0.099 56.548 56.400 0.083 0.000 0.862 672 E CB 0.750 30.535 29.700 0.141 0.000 1.066 672 E HN 0.376 nan 8.360 nan 0.000 0.396 673 A N 3.406 126.124 122.820 -0.169 0.000 1.892 673 A HA -0.228 4.084 4.320 -0.013 0.000 0.218 673 A C 2.006 179.477 177.584 -0.188 0.000 1.188 673 A CA 2.293 54.104 52.037 -0.376 0.000 0.631 673 A CB -0.295 18.209 19.000 -0.826 0.000 0.822 673 A HN 0.601 nan 8.150 nan 0.000 0.447 674 S N -3.843 111.796 115.700 -0.101 0.000 3.792 674 S HA 0.453 4.916 4.470 -0.013 0.000 0.229 674 S C 0.728 175.317 174.600 -0.018 0.000 1.118 674 S CA 1.444 59.626 58.200 -0.029 0.000 0.877 674 S CB -0.104 63.098 63.200 0.003 0.000 1.077 674 S HN 2.266 nan 8.310 nan 0.000 0.546 675 G N 0.394 109.189 108.800 -0.008 0.000 2.722 675 G HA2 -0.084 3.869 3.960 -0.013 0.000 0.686 675 G HA3 -0.084 3.869 3.960 -0.013 0.000 0.686 675 G C 0.259 175.141 174.900 -0.031 0.000 1.282 675 G CA 0.457 45.549 45.100 -0.013 0.000 0.817 675 G HN 1.272 nan 8.290 nan 0.000 0.605 676 T N -1.769 112.755 114.554 -0.050 0.000 3.010 676 T HA 0.382 4.724 4.350 -0.013 0.000 0.253 676 T C 2.420 177.024 174.700 -0.159 0.000 0.939 676 T CA 1.262 63.302 62.100 -0.099 0.000 0.910 676 T CB 0.240 69.043 68.868 -0.110 0.000 1.226 676 T HN 1.901 nan 8.240 nan 0.000 0.508 677 G N 3.259 111.996 108.800 -0.106 0.000 2.469 677 G HA2 -0.314 3.639 3.960 -0.013 0.000 0.219 677 G HA3 -0.314 3.639 3.960 -0.013 0.000 0.219 677 G C 1.476 176.441 174.900 0.109 0.000 1.150 677 G CA 1.289 46.360 45.100 -0.048 0.000 0.763 677 G HN 0.838 nan 8.290 nan 0.000 0.561 678 N N -0.078 118.655 118.700 0.054 0.000 2.091 678 N HA -0.132 4.601 4.740 -0.013 0.000 0.193 678 N C 1.451 176.960 175.510 -0.000 0.000 1.021 678 N CA 0.749 53.823 53.050 0.040 0.000 0.862 678 N CB -0.351 38.115 38.487 -0.035 0.000 1.018 678 N HN 0.349 nan 8.380 nan 0.000 0.429 682 M N 0.314 120.001 119.600 0.146 0.000 2.159 682 M HA -0.151 4.322 4.480 -0.013 0.000 0.263 682 M C 1.960 178.315 176.300 0.093 0.000 1.063 682 M CA 1.778 57.135 55.300 0.096 0.000 1.110 682 M CB -0.043 32.602 32.600 0.075 0.000 1.374 682 M HN 0.322 nan 8.290 nan 0.000 0.411 683 L N 0.688 121.962 121.223 0.085 0.000 2.217 683 L HA -0.076 4.256 4.340 -0.013 0.000 0.211 683 L C 1.305 178.222 176.870 0.077 0.000 1.107 683 L CA 1.605 56.501 54.840 0.093 0.000 0.783 683 L CB -0.565 41.558 42.059 0.107 0.000 0.919 683 L HN 0.343 nan 8.230 nan 0.000 0.442 684 N N -0.350 118.387 118.700 0.062 0.000 2.214 684 N HA 0.173 4.906 4.740 -0.013 0.000 0.214 684 N C 0.798 176.347 175.510 0.064 0.000 1.132 684 N CA 0.771 53.851 53.050 0.050 0.000 0.856 684 N CB 0.592 39.087 38.487 0.013 0.000 1.020 684 N HN 0.378 nan 8.380 nan 0.000 0.509 685 G N 0.691 109.534 108.800 0.073 0.000 2.149 685 G HA2 -0.206 3.746 3.960 -0.013 0.000 0.235 685 G HA3 -0.206 3.746 3.960 -0.013 0.000 0.235 685 G C -0.011 174.961 174.900 0.120 0.000 1.018 685 G CA 0.161 45.305 45.100 0.072 0.000 0.728 685 G HN 0.510 nan 8.290 nan 0.000 0.508 686 A N -0.307 122.597 122.820 0.140 0.000 2.312 686 A HA 0.876 5.189 4.320 -0.013 0.000 0.328 686 A C 0.472 178.078 177.584 0.036 0.000 1.158 686 A CA -0.626 51.513 52.037 0.169 0.000 0.821 686 A CB 0.988 20.148 19.000 0.267 0.000 1.170 686 A HN 0.712 nan 8.150 nan 0.000 0.490 687 L N 0.793 121.998 121.223 -0.029 0.000 2.421 687 L HA 0.440 4.772 4.340 -0.013 0.000 0.263 687 L C 0.209 176.972 176.870 -0.180 0.000 1.122 687 L CA -0.319 54.414 54.840 -0.178 0.000 0.804 687 L CB 1.387 43.246 42.059 -0.333 0.000 1.150 687 L HN 0.683 nan 8.230 nan 0.000 0.457 688 T N 2.547 116.882 114.554 -0.366 0.000 2.779 688 T HA 0.448 4.790 4.350 -0.013 0.000 0.280 688 T C -0.391 174.107 174.700 -0.338 0.000 0.987 688 T CA -0.266 61.545 62.100 -0.482 0.000 0.966 688 T CB 1.497 69.867 68.868 -0.829 0.000 0.933 688 T HN 0.343 nan 8.240 nan 0.000 0.442 689 I N 3.083 123.575 120.570 -0.131 0.000 2.321 689 I HA 0.701 4.863 4.170 -0.013 0.000 0.291 689 I C 0.121 176.357 176.117 0.197 0.000 0.998 689 I CA 0.107 61.458 61.300 0.084 0.000 1.227 689 I CB 0.317 38.329 38.000 0.020 0.000 1.368 689 I HN 0.778 nan 8.210 nan 0.000 0.466 690 G N 4.032 113.033 108.800 0.335 0.000 2.673 690 G HA2 0.444 4.397 3.960 -0.013 0.000 0.292 690 G HA3 0.444 4.397 3.960 -0.013 0.000 0.292 690 G C -0.866 173.974 174.900 -0.099 0.000 1.450 690 G CA -0.466 44.750 45.100 0.193 0.000 0.837 690 G HN 0.587 nan 8.290 nan 0.000 0.505 691 T N -1.048 113.306 114.554 -0.333 0.000 2.849 691 T HA 0.484 4.827 4.350 -0.013 0.000 0.284 691 T C 0.802 175.393 174.700 -0.181 0.000 1.004 691 T CA -0.663 61.169 62.100 -0.448 0.000 1.021 691 T CB 1.054 69.668 68.868 -0.424 0.000 1.013 691 T HN 0.262 nan 8.240 nan 0.000 0.527 692 M N 2.822 122.323 119.600 -0.165 0.000 3.436 692 M HA 0.310 4.783 4.480 -0.013 0.000 0.240 692 M C -0.435 175.814 176.300 -0.086 0.000 1.469 692 M CA -0.045 55.190 55.300 -0.108 0.000 1.622 692 M CB -1.727 30.816 32.600 -0.095 0.000 1.098 692 M HN 0.724 nan 8.290 nan 0.000 0.568 693 D N -0.032 120.325 120.400 -0.072 0.000 2.671 693 D HA 0.670 5.303 4.640 -0.013 0.000 0.232 693 D C 0.722 177.003 176.300 -0.031 0.000 1.114 693 D CA 0.714 54.687 54.000 -0.045 0.000 0.858 693 D CB 1.747 42.523 40.800 -0.040 0.000 1.544 693 D HN 0.602 nan 8.370 nan 0.000 0.471 694 G N 1.889 110.680 108.800 -0.014 0.000 2.614 694 G HA2 -0.266 3.687 3.960 -0.013 0.000 0.303 694 G HA3 -0.266 3.687 3.960 -0.013 0.000 0.303 694 G C 1.057 175.952 174.900 -0.009 0.000 1.270 694 G CA 1.148 46.243 45.100 -0.008 0.000 0.988 694 G HN 1.064 nan 8.290 nan 0.000 0.551 695 A N -0.338 122.471 122.820 -0.018 0.000 2.168 695 A HA 0.086 4.398 4.320 -0.013 0.000 0.215 695 A C 2.117 179.642 177.584 -0.098 0.000 1.152 695 A CA 1.870 53.891 52.037 -0.027 0.000 0.716 695 A CB -0.468 18.502 19.000 -0.050 0.000 0.794 695 A HN 0.641 nan 8.150 nan 0.000 0.465 696 N N 0.592 119.241 118.700 -0.086 0.000 2.137 696 N HA -0.165 4.568 4.740 -0.013 0.000 0.190 696 N C 1.584 176.945 175.510 -0.248 0.000 1.017 696 N CA 1.649 54.637 53.050 -0.104 0.000 0.859 696 N CB -0.664 37.820 38.487 -0.005 0.000 1.002 696 N HN 0.297 nan 8.380 nan 0.000 0.428 697 V N 1.167 120.989 119.914 -0.154 0.000 2.287 697 V HA -0.216 3.897 4.120 -0.013 0.000 0.248 697 V C 2.001 178.016 176.094 -0.131 0.000 1.053 697 V CA 1.711 63.920 62.300 -0.152 0.000 1.027 697 V CB -0.496 31.280 31.823 -0.079 0.000 0.646 697 V HN 0.352 nan 8.190 nan 0.000 0.447 698 E N -0.621 119.562 120.200 -0.029 0.000 2.152 698 E HA -0.126 4.216 4.350 -0.013 0.000 0.192 698 E C 2.227 178.948 176.600 0.202 0.000 0.983 698 E CA 1.025 57.488 56.400 0.105 0.000 0.818 698 E CB -0.181 29.664 29.700 0.241 0.000 0.758 698 E HN 0.539 nan 8.360 nan 0.000 0.467 699 M N 0.440 120.067 119.600 0.045 0.000 2.086 699 M HA -0.157 4.316 4.480 -0.013 0.000 0.261 699 M C 2.476 178.637 176.300 -0.233 0.000 1.067 699 M CA 1.559 56.834 55.300 -0.042 0.000 1.116 699 M CB -0.188 32.269 32.600 -0.237 0.000 1.348 699 M HN 0.139 nan 8.290 nan 0.000 0.407 700 A N -0.176 122.233 122.820 -0.686 0.000 1.930 700 A HA -0.210 4.103 4.320 -0.013 0.000 0.217 700 A C 1.990 179.419 177.584 -0.258 0.000 1.175 700 A CA 1.895 53.495 52.037 -0.728 0.000 0.627 700 A CB -0.784 17.693 19.000 -0.871 0.000 0.815 700 A HN 0.580 nan 8.150 nan 0.000 0.443 701 E N -0.350 119.751 120.200 -0.165 0.000 2.077 701 E HA -0.224 4.118 4.350 -0.013 0.000 0.193 701 E C 1.804 178.386 176.600 -0.030 0.000 0.989 701 E CA 1.329 57.684 56.400 -0.075 0.000 0.800 701 E CB -0.075 29.596 29.700 -0.048 0.000 0.746 701 E HN 0.553 nan 8.360 nan 0.000 0.452 702 E N 0.073 120.284 120.200 0.017 0.000 2.047 702 E HA -0.138 4.205 4.350 -0.013 0.000 0.191 702 E C 1.865 178.493 176.600 0.046 0.000 0.987 702 E CA 1.161 57.587 56.400 0.043 0.000 0.799 702 E CB -0.214 29.554 29.700 0.113 0.000 0.752 702 E HN 0.363 nan 8.360 nan 0.000 0.449 703 A N 0.395 123.252 122.820 0.062 0.000 2.072 703 A HA 0.326 4.639 4.320 -0.013 0.000 0.216 703 A C 1.067 178.669 177.584 0.031 0.000 1.156 703 A CA 1.094 53.174 52.037 0.072 0.000 0.701 703 A CB -0.062 19.026 19.000 0.147 0.000 0.816 703 A HN 0.260 nan 8.150 nan 0.000 0.458 704 G N -0.576 108.223 108.800 -0.003 0.000 3.039 704 G HA2 -0.109 3.843 3.960 -0.013 0.000 0.686 704 G HA3 -0.109 3.843 3.960 -0.013 0.000 0.686 704 G C -0.015 174.873 174.900 -0.021 0.000 1.066 704 G CA 0.002 45.090 45.100 -0.019 0.000 0.774 704 G HN 0.266 nan 8.290 nan 0.000 0.591 705 E N 0.975 121.151 120.200 -0.041 0.000 2.204 705 E HA -0.146 4.197 4.350 -0.013 0.000 0.195 705 E C 2.015 178.601 176.600 -0.023 0.000 0.990 705 E CA 1.669 58.050 56.400 -0.032 0.000 0.821 705 E CB 0.082 29.758 29.700 -0.041 0.000 0.750 705 E HN 0.759 nan 8.360 nan 0.000 0.477 706 E N 0.691 120.864 120.200 -0.045 0.000 2.338 706 E HA -0.088 4.255 4.350 -0.013 0.000 0.197 706 E C 0.920 177.432 176.600 -0.147 0.000 1.007 706 E CA 0.624 56.975 56.400 -0.083 0.000 0.849 706 E CB -0.014 29.650 29.700 -0.061 0.000 0.774 706 E HN 0.135 nan 8.360 nan 0.000 0.506 707 N N -0.345 118.298 118.700 -0.095 0.000 2.273 707 N HA 0.158 4.890 4.740 -0.013 0.000 0.231 707 N C -1.051 174.392 175.510 -0.112 0.000 1.134 707 N CA 0.034 53.005 53.050 -0.131 0.000 0.856 707 N CB 0.409 38.867 38.487 -0.048 0.000 1.068 707 N HN 0.056 nan 8.380 nan 0.000 0.510 708 F N -0.201 119.546 119.950 -0.337 0.000 2.581 708 F HA 0.382 4.901 4.527 -0.014 0.000 0.311 708 F C -1.027 174.580 175.800 -0.321 0.000 1.113 708 F CA -1.046 56.807 58.000 -0.245 0.000 0.935 708 F CB 1.288 40.222 39.000 -0.110 0.000 1.232 708 F HN -0.213 nan 8.300 nan 0.000 0.445 709 F N 6.352 126.267 119.950 -0.059 0.000 2.425 709 F HA 0.405 4.924 4.527 -0.012 0.000 0.354 709 F C -0.273 175.656 175.800 0.214 0.000 1.162 709 F CA -0.400 57.631 58.000 0.051 0.000 1.250 709 F CB -0.107 38.872 39.000 -0.035 0.000 1.579 709 F HN 0.086 nan 8.300 nan 0.000 0.589 710 I N 4.038 124.826 120.570 0.364 0.000 2.396 710 I HA 0.353 4.516 4.170 -0.013 0.000 0.292 710 I C -0.134 176.172 176.117 0.316 0.000 0.999 710 I CA -0.459 61.024 61.300 0.304 0.000 1.310 710 I CB 0.533 38.636 38.000 0.172 0.000 1.404 710 I HN 0.337 nan 8.210 nan 0.000 0.496 711 F N 3.527 123.553 119.950 0.126 0.000 2.664 711 F HA 0.956 5.475 4.527 -0.013 0.000 0.317 711 F C 0.159 176.003 175.800 0.074 0.000 1.108 711 F CA -0.671 57.388 58.000 0.100 0.000 0.957 711 F CB 0.967 40.039 39.000 0.119 0.000 1.365 711 F HN 0.835 nan 8.300 nan 0.000 0.475 712 G N 1.072 109.965 108.800 0.154 0.000 2.760 712 G HA2 -0.112 3.840 3.960 -0.013 0.000 0.246 712 G HA3 -0.112 3.840 3.960 -0.013 0.000 0.246 712 G C -0.851 174.029 174.900 -0.033 0.000 1.359 712 G CA -0.577 44.551 45.100 0.046 0.000 0.861 712 G HN 0.957 nan 8.290 nan 0.000 0.541 713 M N 0.921 120.508 119.600 -0.022 0.000 2.249 713 M HA 0.231 4.703 4.480 -0.013 0.000 0.340 713 M C 1.236 177.503 176.300 -0.054 0.000 1.166 713 M CA 0.016 55.308 55.300 -0.014 0.000 1.115 713 M CB 0.334 32.933 32.600 -0.001 0.000 1.606 713 M HN 0.516 nan 8.290 nan 0.000 0.448 714 R N 1.734 122.215 120.500 -0.032 0.000 2.541 714 R HA 0.252 4.584 4.340 -0.013 0.000 0.263 714 R C 1.215 177.497 176.300 -0.029 0.000 1.112 714 R CA -0.526 55.550 56.100 -0.039 0.000 1.170 714 R CB -0.007 30.276 30.300 -0.028 0.000 1.167 714 R HN 0.572 nan 8.270 nan 0.000 0.582 715 V N 1.505 121.401 119.914 -0.030 0.000 2.324 715 V HA -0.279 3.834 4.120 -0.013 0.000 0.250 715 V C 1.909 177.994 176.094 -0.016 0.000 1.060 715 V CA 2.062 64.348 62.300 -0.023 0.000 1.042 715 V CB -0.483 31.325 31.823 -0.025 0.000 0.650 715 V HN 0.633 nan 8.190 nan 0.000 0.450 716 E N 0.099 120.292 120.200 -0.013 0.000 2.110 716 E HA -0.185 4.158 4.350 -0.013 0.000 0.193 716 E C 1.958 178.562 176.600 0.006 0.000 0.988 716 E CA 1.384 57.781 56.400 -0.005 0.000 0.804 716 E CB -0.337 29.361 29.700 -0.004 0.000 0.745 716 E HN 0.632 nan 8.360 nan 0.000 0.458 717 D N -0.269 120.137 120.400 0.010 0.000 2.149 717 D HA -0.089 4.544 4.640 -0.013 0.000 0.201 717 D C 1.958 178.275 176.300 0.027 0.000 0.972 717 D CA 0.746 54.762 54.000 0.026 0.000 0.835 717 D CB -0.049 40.770 40.800 0.033 0.000 0.966 717 D HN 0.070 nan 8.370 nan 0.000 0.476 718 V N 1.850 121.768 119.914 0.006 0.000 2.295 718 V HA -0.208 3.905 4.120 -0.013 0.000 0.246 718 V C 1.973 178.068 176.094 0.000 0.000 1.049 718 V CA 1.645 63.941 62.300 -0.007 0.000 1.024 718 V CB -0.413 31.395 31.823 -0.026 0.000 0.648 718 V HN 0.021 nan 8.190 nan 0.000 0.447 719 D N 0.000 120.400 120.400 0.000 0.000 2.104 719 D HA -0.163 4.470 4.640 -0.013 0.000 0.194 719 D C 2.417 178.728 176.300 0.018 0.000 0.994 719 D CA 1.325 55.327 54.000 0.003 0.000 0.830 719 D CB -0.263 40.536 40.800 -0.003 0.000 0.959 719 D HN 0.354 nan 8.370 nan 0.000 0.452 720 R N 0.083 120.599 120.500 0.026 0.000 2.081 720 R HA -0.029 4.304 4.340 -0.013 0.000 0.235 720 R C 2.512 178.847 176.300 0.058 0.000 1.131 720 R CA 0.533 56.656 56.100 0.039 0.000 0.960 720 R CB -0.389 29.936 30.300 0.042 0.000 0.856 720 R HN 0.195 nan 8.270 nan 0.000 0.436 721 L N 0.614 121.881 121.223 0.073 0.000 2.093 721 L HA -0.207 4.125 4.340 -0.013 0.000 0.208 721 L C 1.418 178.351 176.870 0.107 0.000 1.085 721 L CA 1.354 56.264 54.840 0.116 0.000 0.755 721 L CB -0.238 41.906 42.059 0.142 0.000 0.904 721 L HN 0.230 nan 8.230 nan 0.000 0.435 722 D N -0.528 119.909 120.400 0.061 0.000 2.117 722 D HA -0.201 4.431 4.640 -0.013 0.000 0.198 722 D C 2.227 178.556 176.300 0.047 0.000 0.982 722 D CA 1.086 55.115 54.000 0.047 0.000 0.828 722 D CB -0.024 40.782 40.800 0.011 0.000 0.967 722 D HN 0.419 nan 8.370 nan 0.000 0.464 723 Q N -0.052 119.772 119.800 0.040 0.000 2.124 723 Q HA -0.080 4.252 4.340 -0.013 0.000 0.202 723 Q C 2.209 178.234 176.000 0.042 0.000 0.977 723 Q CA 0.830 56.653 55.803 0.034 0.000 0.850 723 Q CB 0.078 28.833 28.738 0.027 0.000 0.901 723 Q HN 0.143 nan 8.270 nan 0.000 0.429 724 R N -0.359 120.174 120.500 0.055 0.000 2.119 724 R HA 0.028 4.360 4.340 -0.013 0.000 0.222 724 R C -0.077 176.262 176.300 0.065 0.000 1.088 724 R CA 0.843 56.977 56.100 0.057 0.000 0.984 724 R CB 0.317 30.658 30.300 0.069 0.000 0.884 724 R HN 0.272 nan 8.270 nan 0.000 0.447 725 G N -0.007 108.845 108.800 0.088 0.000 3.355 725 G HA2 -0.263 3.690 3.960 -0.013 0.000 0.686 725 G HA3 -0.263 3.690 3.960 -0.013 0.000 0.686 725 G C -1.345 173.649 174.900 0.156 0.000 1.097 725 G CA -0.424 44.737 45.100 0.103 0.000 0.881 725 G HN 0.275 nan 8.290 nan 0.000 0.550 726 Y N 3.624 123.957 120.300 0.054 0.000 2.436 726 Y HA 0.511 5.054 4.550 -0.012 0.000 0.343 726 Y C 0.563 176.516 175.900 0.087 0.000 1.008 726 Y CA -0.557 57.594 58.100 0.086 0.000 1.241 726 Y CB 0.781 39.276 38.460 0.058 0.000 1.153 726 Y HN 0.585 nan 8.280 nan 0.000 0.521 727 N N 5.102 123.604 118.700 -0.330 0.000 2.564 727 N HA 0.358 5.091 4.740 -0.013 0.000 0.248 727 N C 0.259 175.520 175.510 -0.416 0.000 0.986 727 N CA 0.170 53.021 53.050 -0.331 0.000 0.921 727 N CB 1.147 39.557 38.487 -0.128 0.000 1.136 727 N HN 0.876 nan 8.380 nan 0.000 0.509 728 A N 2.927 125.409 122.820 -0.562 0.000 2.019 728 A HA -0.206 4.107 4.320 -0.013 0.000 0.219 728 A C 2.005 179.703 177.584 0.191 0.000 1.164 728 A CA 1.225 53.145 52.037 -0.195 0.000 0.644 728 A CB -0.346 18.458 19.000 -0.327 0.000 0.805 728 A HN 0.772 nan 8.150 nan 0.000 0.449 729 Q N 0.281 120.087 119.800 0.010 0.000 2.135 729 Q HA -0.232 4.101 4.340 -0.013 0.000 0.204 729 Q C 1.889 177.956 176.000 0.111 0.000 0.981 729 Q CA 2.250 58.084 55.803 0.053 0.000 0.856 729 Q CB -0.349 28.371 28.738 -0.030 0.000 0.902 729 Q HN 0.776 nan 8.270 nan 0.000 0.425 730 E N -1.327 118.876 120.200 0.006 0.000 2.070 730 E HA -0.254 4.089 4.350 -0.013 0.000 0.197 730 E C 1.586 178.115 176.600 -0.118 0.000 1.004 730 E CA 1.615 57.946 56.400 -0.116 0.000 0.805 730 E CB -0.245 29.279 29.700 -0.293 0.000 0.744 730 E HN 0.597 nan 8.360 nan 0.000 0.451 731 Y N -1.103 119.260 120.300 0.106 0.000 2.200 731 Y HA -0.199 4.343 4.550 -0.013 0.000 0.290 731 Y C 2.247 178.143 175.900 -0.006 0.000 1.137 731 Y CA 1.472 59.622 58.100 0.084 0.000 1.163 731 Y CB -0.739 37.822 38.460 0.167 0.000 0.988 731 Y HN 0.231 nan 8.280 nan 0.000 0.518 732 Y N 1.433 121.762 120.300 0.048 0.000 2.151 732 Y HA -0.301 4.241 4.550 -0.013 0.000 0.284 732 Y C 1.842 177.709 175.900 -0.055 0.000 1.166 732 Y CA 1.970 60.024 58.100 -0.077 0.000 1.163 732 Y CB -0.398 38.072 38.460 0.017 0.000 0.974 732 Y HN 0.086 nan 8.280 nan 0.000 0.511 733 D N -0.440 120.042 120.400 0.137 0.000 2.178 733 D HA -0.098 4.535 4.640 -0.013 0.000 0.202 733 D C 1.901 178.172 176.300 -0.049 0.000 0.974 733 D CA 1.232 55.257 54.000 0.041 0.000 0.841 733 D CB -0.104 40.743 40.800 0.078 0.000 0.953 733 D HN 0.488 nan 8.370 nan 0.000 0.478 734 R N -0.301 120.173 120.500 -0.043 0.000 2.308 734 R HA 0.279 4.612 4.340 -0.013 0.000 0.202 734 R C 0.378 176.657 176.300 -0.034 0.000 0.898 734 R CA 0.077 56.153 56.100 -0.039 0.000 1.046 734 R CB 1.135 31.412 30.300 -0.039 0.000 1.026 734 R HN 0.142 nan 8.270 nan 0.000 0.512 735 I N 2.424 122.958 120.570 -0.060 0.000 2.405 735 I HA 0.218 4.380 4.170 -0.013 0.000 0.280 735 I C -1.918 174.112 176.117 -0.145 0.000 1.027 735 I CA -2.328 58.941 61.300 -0.052 0.000 1.161 735 I CB 2.076 40.083 38.000 0.011 0.000 1.300 735 I HN -0.277 nan 8.210 nan 0.000 0.463 736 P HA -0.145 nan 4.420 nan 0.000 0.216 736 P C 1.180 178.391 177.300 -0.148 0.000 1.150 736 P CA 1.299 64.312 63.100 -0.145 0.000 0.837 736 P CB 0.316 31.962 31.700 -0.090 0.000 0.786 737 E N -0.945 119.205 120.200 -0.083 0.000 2.106 737 E HA -0.158 4.185 4.350 -0.013 0.000 0.192 737 E C 1.855 178.366 176.600 -0.148 0.000 0.984 737 E CA 0.674 57.043 56.400 -0.053 0.000 0.806 737 E CB -0.583 29.157 29.700 0.067 0.000 0.750 737 E HN 0.112 nan 8.360 nan 0.000 0.458 738 L N 1.214 122.260 121.223 -0.295 0.000 2.056 738 L HA -0.137 4.196 4.340 -0.013 0.000 0.207 738 L C 2.349 178.959 176.870 -0.432 0.000 1.078 738 L CA 1.589 56.086 54.840 -0.572 0.000 0.749 738 L CB -0.279 41.285 42.059 -0.824 0.000 0.901 738 L HN -0.075 nan 8.230 nan 0.000 0.433 739 R N -0.866 119.359 120.500 -0.458 0.000 2.083 739 R HA -0.254 4.079 4.340 -0.013 0.000 0.237 739 R C 2.400 178.545 176.300 -0.259 0.000 1.137 739 R CA 2.085 57.843 56.100 -0.569 0.000 0.951 739 R CB -0.359 29.542 30.300 -0.665 0.000 0.851 739 R HN 0.587 nan 8.270 nan 0.000 0.434 740 Q N 0.389 120.071 119.800 -0.197 0.000 2.096 740 Q HA -0.198 4.135 4.340 -0.013 0.000 0.204 740 Q C 2.066 178.023 176.000 -0.073 0.000 0.982 740 Q CA 2.010 57.740 55.803 -0.122 0.000 0.850 740 Q CB -0.121 28.546 28.738 -0.118 0.000 0.901 740 Q HN 0.465 nan 8.270 nan 0.000 0.422 741 I N 0.562 121.090 120.570 -0.071 0.000 2.179 741 I HA -0.286 3.876 4.170 -0.013 0.000 0.242 741 I C 2.114 178.268 176.117 0.062 0.000 1.088 741 I CA 0.641 61.943 61.300 0.003 0.000 1.357 741 I CB -0.290 37.684 38.000 -0.044 0.000 1.051 741 I HN 0.300 nan 8.210 nan 0.000 0.409 742 I N 0.788 121.391 120.570 0.055 0.000 2.286 742 I HA -0.239 3.924 4.170 -0.013 0.000 0.248 742 I C 2.454 178.675 176.117 0.174 0.000 1.115 742 I CA 1.645 63.043 61.300 0.164 0.000 1.392 742 I CB -1.295 36.890 38.000 0.308 0.000 1.065 742 I HN 0.350 nan 8.210 nan 0.000 0.418 743 E N 0.390 120.670 120.200 0.134 0.000 2.077 743 E HA -0.239 4.104 4.350 -0.013 0.000 0.193 743 E C 2.187 178.851 176.600 0.106 0.000 0.989 743 E CA 1.012 57.479 56.400 0.112 0.000 0.800 743 E CB -0.118 29.615 29.700 0.055 0.000 0.746 743 E HN 0.573 nan 8.360 nan 0.000 0.452 744 Q N 0.469 120.319 119.800 0.084 0.000 2.050 744 Q HA -0.153 4.179 4.340 -0.013 0.000 0.202 744 Q C 2.373 178.558 176.000 0.310 0.000 0.980 744 Q CA 1.087 56.960 55.803 0.117 0.000 0.840 744 Q CB -0.087 28.668 28.738 0.027 0.000 0.898 744 Q HN 0.298 nan 8.270 nan 0.000 0.424 745 L N -0.003 121.413 121.223 0.322 0.000 2.017 745 L HA -0.202 4.130 4.340 -0.013 0.000 0.208 745 L C 2.435 179.490 176.870 0.308 0.000 1.073 745 L CA 1.120 56.164 54.840 0.340 0.000 0.745 745 L CB -0.363 41.814 42.059 0.196 0.000 0.894 745 L HN 0.164 nan 8.230 nan 0.000 0.432 746 S N -0.434 115.402 115.700 0.227 0.000 2.383 746 S HA -0.139 4.324 4.470 -0.013 0.000 0.227 746 S C 2.081 176.782 174.600 0.168 0.000 1.026 746 S CA 1.412 59.724 58.200 0.187 0.000 0.981 746 S CB -0.212 63.077 63.200 0.149 0.000 0.818 746 S HN 0.599 nan 8.310 nan 0.000 0.472 747 S N 0.530 116.329 115.700 0.166 0.000 2.496 747 S HA 0.333 4.795 4.470 -0.013 0.000 0.224 747 S C 1.436 176.124 174.600 0.147 0.000 0.996 747 S CA 0.658 58.940 58.200 0.137 0.000 0.927 747 S CB -0.072 63.198 63.200 0.117 0.000 0.774 747 S HN 0.848 nan 8.310 nan 0.000 0.524 748 G N 0.555 109.475 108.800 0.200 0.000 2.135 748 G HA2 -0.250 3.702 3.960 -0.013 0.000 0.183 748 G HA3 -0.250 3.702 3.960 -0.013 0.000 0.183 748 G C 0.134 175.127 174.900 0.156 0.000 1.004 748 G CA 0.056 45.264 45.100 0.181 0.000 0.677 748 G HN 0.487 nan 8.290 nan 0.000 0.512 749 F N 0.214 120.165 119.950 0.001 0.000 2.171 749 F HA 0.179 4.698 4.527 -0.013 0.000 0.300 749 F C 1.900 177.502 175.800 -0.331 0.000 1.090 749 F CA 1.944 59.815 58.000 -0.215 0.000 1.293 749 F CB -0.013 38.763 39.000 -0.374 0.000 1.013 749 F HN 0.181 nan 8.300 nan 0.000 0.486 750 F N -0.289 119.754 119.950 0.156 0.000 2.727 750 F HA 0.195 4.714 4.527 -0.013 0.000 0.302 750 F C 0.583 176.462 175.800 0.133 0.000 1.097 750 F CA 0.230 58.277 58.000 0.078 0.000 1.330 750 F CB -0.079 38.993 39.000 0.119 0.000 1.084 750 F HN -0.041 nan 8.300 nan 0.000 0.578 751 S N -1.748 114.082 115.700 0.216 0.000 2.488 751 S HA 0.312 4.774 4.470 -0.013 0.000 0.151 751 S C -2.538 172.078 174.600 0.026 0.000 1.401 751 S CA -0.981 57.278 58.200 0.098 0.000 1.221 751 S CB 0.977 64.199 63.200 0.037 0.000 1.407 751 S HN -0.185 nan 8.310 nan 0.000 0.406 752 P HA 0.017 nan 4.420 nan 0.000 0.218 752 P C 0.923 178.214 177.300 -0.015 0.000 1.149 752 P CA 1.038 64.119 63.100 -0.031 0.000 0.817 752 P CB 0.087 31.744 31.700 -0.072 0.000 0.785 753 K N -1.155 119.236 120.400 -0.017 0.000 2.400 753 K HA 0.070 4.382 4.320 -0.013 0.000 0.194 753 K C 0.563 177.160 176.600 -0.006 0.000 1.033 753 K CA 0.590 56.870 56.287 -0.011 0.000 1.021 753 K CB 0.152 32.645 32.500 -0.012 0.000 0.808 753 K HN 0.249 nan 8.250 nan 0.000 0.505 754 Q N -0.207 119.587 119.800 -0.010 0.000 3.244 754 Q HA 0.154 4.486 4.340 -0.013 0.000 0.249 754 Q C -2.395 173.596 176.000 -0.015 0.000 0.951 754 Q CA -1.599 54.194 55.803 -0.017 0.000 0.740 754 Q CB 1.535 30.255 28.738 -0.030 0.000 1.334 754 Q HN -0.092 nan 8.270 nan 0.000 0.448 755 P HA -0.206 nan 4.420 nan 0.000 0.218 755 P C 0.590 177.924 177.300 0.057 0.000 1.148 755 P CA 1.413 64.540 63.100 0.044 0.000 0.822 755 P CB 0.211 31.938 31.700 0.045 0.000 0.784 756 D N -1.164 119.255 120.400 0.031 0.000 2.427 756 D HA 0.003 4.635 4.640 -0.013 0.000 0.224 756 D C 1.515 177.816 176.300 0.001 0.000 1.157 756 D CA -0.303 53.724 54.000 0.044 0.000 0.828 756 D CB -0.656 40.172 40.800 0.046 0.000 0.974 756 D HN 0.025 nan 8.370 nan 0.000 0.498 757 L N -0.238 120.921 121.223 -0.106 0.000 2.079 757 L HA -0.029 4.304 4.340 -0.013 0.000 0.210 757 L C 1.159 177.825 176.870 -0.339 0.000 1.081 757 L CA 1.665 56.324 54.840 -0.301 0.000 0.752 757 L CB -0.534 41.166 42.059 -0.599 0.000 0.896 757 L HN -0.005 nan 8.230 nan 0.000 0.433 758 F N -0.595 119.410 119.950 0.091 0.000 2.639 758 F HA 0.133 4.653 4.527 -0.012 0.000 0.300 758 F C 1.873 177.725 175.800 0.087 0.000 1.109 758 F CA -0.133 57.911 58.000 0.074 0.000 1.335 758 F CB -0.292 38.741 39.000 0.054 0.000 1.014 758 F HN 0.099 nan 8.300 nan 0.000 0.537 759 K N -0.281 120.239 120.400 0.200 0.000 2.103 759 K HA -0.203 4.110 4.320 -0.013 0.000 0.207 759 K C 0.954 177.658 176.600 0.173 0.000 1.048 759 K CA 2.047 58.435 56.287 0.167 0.000 0.930 759 K CB -0.271 32.302 32.500 0.122 0.000 0.716 759 K HN 0.078 nan 8.250 nan 0.000 0.444 760 D N 1.199 121.712 120.400 0.189 0.000 2.144 760 D HA -0.075 4.558 4.640 -0.013 0.000 0.199 760 D C 2.029 178.439 176.300 0.183 0.000 0.984 760 D CA 1.098 55.218 54.000 0.199 0.000 0.834 760 D CB -0.101 40.853 40.800 0.257 0.000 0.955 760 D HN 0.314 nan 8.370 nan 0.000 0.465 761 I N 0.301 120.981 120.570 0.183 0.000 2.202 761 I HA -0.203 3.959 4.170 -0.013 0.000 0.242 761 I C 2.387 178.567 176.117 0.106 0.000 1.091 761 I CA 0.533 61.912 61.300 0.131 0.000 1.368 761 I CB -0.139 37.930 38.000 0.114 0.000 1.058 761 I HN -0.117 nan 8.210 nan 0.000 0.410 762 V N 1.210 121.203 119.914 0.132 0.000 2.295 762 V HA -0.304 3.808 4.120 -0.013 0.000 0.246 762 V C 2.251 178.380 176.094 0.059 0.000 1.049 762 V CA 2.392 64.755 62.300 0.105 0.000 1.024 762 V CB -0.965 30.937 31.823 0.132 0.000 0.648 762 V HN 0.480 nan 8.190 nan 0.000 0.447 763 N N -0.111 118.658 118.700 0.115 0.000 2.104 763 N HA -0.216 4.516 4.740 -0.013 0.000 0.190 763 N C 1.847 177.433 175.510 0.127 0.000 1.024 763 N CA 1.861 55.011 53.050 0.166 0.000 0.853 763 N CB -0.295 38.326 38.487 0.222 0.000 1.008 763 N HN 0.337 nan 8.380 nan 0.000 0.424 764 M N -0.254 119.429 119.600 0.138 0.000 2.086 764 M HA -0.112 4.361 4.480 -0.013 0.000 0.261 764 M C 1.419 177.712 176.300 -0.012 0.000 1.067 764 M CA 1.293 56.677 55.300 0.139 0.000 1.116 764 M CB -0.627 32.065 32.600 0.153 0.000 1.348 764 M HN 0.208 nan 8.290 nan 0.000 0.407 765 L N 0.678 121.844 121.223 -0.095 0.000 2.042 765 L HA -0.214 4.118 4.340 -0.013 0.000 0.210 765 L C 2.471 179.032 176.870 -0.515 0.000 1.076 765 L CA 1.673 56.317 54.840 -0.327 0.000 0.749 765 L CB -1.143 40.745 42.059 -0.286 0.000 0.893 765 L HN 0.349 nan 8.230 nan 0.000 0.432 766 M N -1.967 117.385 119.600 -0.413 0.000 2.236 766 M HA -0.074 4.398 4.480 -0.013 0.000 0.266 766 M C 1.935 177.800 176.300 -0.724 0.000 1.070 766 M CA 1.451 56.395 55.300 -0.593 0.000 1.137 766 M CB -0.797 31.351 32.600 -0.753 0.000 1.378 766 M HN 0.343 nan 8.290 nan 0.000 0.426 767 H N -2.241 116.647 119.070 -0.303 0.000 2.926 767 H HA 0.216 4.764 4.556 -0.012 0.000 0.249 767 H C 0.179 175.125 175.328 -0.636 0.000 0.963 767 H CA 0.596 56.324 56.048 -0.533 0.000 1.158 767 H CB 0.326 29.635 29.762 -0.754 0.000 1.445 767 H HN 0.506 nan 8.280 nan 0.000 0.452 768 H N 0.104 119.237 119.070 0.105 0.000 2.779 768 H HA 0.186 4.735 4.556 -0.013 0.000 0.230 768 H C -0.849 174.513 175.328 0.056 0.000 1.365 768 H CA -0.411 55.687 56.048 0.083 0.000 1.086 768 H CB 0.656 30.468 29.762 0.084 0.000 2.038 768 H HN -0.023 nan 8.280 nan 0.000 0.558 769 D N 1.157 121.622 120.400 0.110 0.000 2.441 769 D HA 0.111 4.744 4.640 -0.013 0.000 0.221 769 D C 0.956 177.229 176.300 -0.046 0.000 1.156 769 D CA -0.319 53.720 54.000 0.064 0.000 0.896 769 D CB 0.584 41.399 40.800 0.024 0.000 1.028 769 D HN 0.327 nan 8.370 nan 0.000 0.509 770 R N 2.216 122.598 120.500 -0.195 0.000 2.237 770 R HA -0.038 4.295 4.340 -0.013 0.000 0.219 770 R C 0.566 176.382 176.300 -0.808 0.000 1.080 770 R CA 0.875 56.638 56.100 -0.562 0.000 0.995 770 R CB 0.114 29.901 30.300 -0.855 0.000 0.875 770 R HN 0.413 nan 8.270 nan 0.000 0.462 771 F N 0.086 119.991 119.950 -0.075 0.000 2.661 771 F HA 0.272 4.792 4.527 -0.012 0.000 0.306 771 F C 0.060 175.745 175.800 -0.193 0.000 1.094 771 F CA -0.650 57.295 58.000 -0.092 0.000 1.254 771 F CB 0.304 39.307 39.000 0.004 0.000 1.040 771 F HN -0.258 nan 8.300 nan 0.000 0.562 772 K N -0.290 119.936 120.400 -0.290 0.000 3.148 772 K HA -0.174 4.138 4.320 -0.013 0.000 0.267 772 K C 0.957 177.456 176.600 -0.168 0.000 0.996 772 K CA 0.204 56.148 56.287 -0.572 0.000 0.737 772 K CB -1.883 30.200 32.500 -0.695 0.000 1.308 772 K HN 0.209 nan 8.250 nan 0.000 0.470 773 V N -0.043 119.855 119.914 -0.028 0.000 2.287 773 V HA -0.297 3.816 4.120 -0.013 0.000 0.248 773 V C 1.952 178.203 176.094 0.261 0.000 1.053 773 V CA 2.363 64.724 62.300 0.102 0.000 1.027 773 V CB -0.509 31.378 31.823 0.106 0.000 0.646 773 V HN 0.491 nan 8.190 nan 0.000 0.447 774 F N 0.223 120.189 119.950 0.027 0.000 2.171 774 F HA -0.191 4.328 4.527 -0.013 0.000 0.300 774 F C 2.509 178.111 175.800 -0.329 0.000 1.090 774 F CA 0.669 58.630 58.000 -0.065 0.000 1.293 774 F CB -0.348 38.637 39.000 -0.024 0.000 1.013 774 F HN 0.200 nan 8.300 nan 0.000 0.486 775 A N -0.627 122.041 122.820 -0.252 0.000 2.015 775 A HA -0.176 4.137 4.320 -0.013 0.000 0.219 775 A C 1.440 179.004 177.584 -0.034 0.000 1.163 775 A CA 1.726 53.500 52.037 -0.438 0.000 0.646 775 A CB -0.413 18.484 19.000 -0.172 0.000 0.806 775 A HN 0.217 nan 8.150 nan 0.000 0.448 776 D N -2.738 117.711 120.400 0.082 0.000 2.369 776 D HA 0.089 4.722 4.640 -0.013 0.000 0.211 776 D C 1.141 177.598 176.300 0.262 0.000 1.077 776 D CA -0.030 54.095 54.000 0.208 0.000 0.842 776 D CB -0.095 40.846 40.800 0.235 0.000 0.947 776 D HN 0.591 nan 8.370 nan 0.000 0.509 777 Y N 1.992 122.364 120.300 0.121 0.000 2.114 777 Y HA -0.195 4.348 4.550 -0.012 0.000 0.284 777 Y C 2.103 178.076 175.900 0.121 0.000 1.143 777 Y CA 1.838 60.018 58.100 0.134 0.000 1.135 777 Y CB 0.189 38.695 38.460 0.076 0.000 0.980 777 Y HN -0.117 nan 8.280 nan 0.000 0.499 778 E N -0.012 120.238 120.200 0.083 0.000 2.058 778 E HA -0.244 4.098 4.350 -0.013 0.000 0.194 778 E C 2.175 178.737 176.600 -0.064 0.000 0.997 778 E CA 1.573 57.956 56.400 -0.029 0.000 0.801 778 E CB -0.156 29.627 29.700 0.140 0.000 0.746 778 E HN 0.631 nan 8.360 nan 0.000 0.450 779 E N -0.242 119.994 120.200 0.060 0.000 2.110 779 E HA -0.198 4.144 4.350 -0.013 0.000 0.193 779 E C 1.921 178.502 176.600 -0.031 0.000 0.988 779 E CA 0.731 57.190 56.400 0.097 0.000 0.804 779 E CB -0.124 29.729 29.700 0.255 0.000 0.745 779 E HN 0.271 nan 8.360 nan 0.000 0.458 780 Y N 1.275 121.366 120.300 -0.349 0.000 2.145 780 Y HA -0.222 4.321 4.550 -0.013 0.000 0.286 780 Y C 2.145 177.647 175.900 -0.663 0.000 1.145 780 Y CA 0.999 58.572 58.100 -0.878 0.000 1.148 780 Y CB -0.496 37.495 38.460 -0.781 0.000 0.981 780 Y HN -0.207 nan 8.280 nan 0.000 0.507 781 V N 0.342 119.895 119.914 -0.602 0.000 2.343 781 V HA -0.298 3.814 4.120 -0.013 0.000 0.247 781 V C 2.357 178.222 176.094 -0.382 0.000 1.051 781 V CA 2.293 64.257 62.300 -0.559 0.000 1.036 781 V CB -0.662 30.849 31.823 -0.520 0.000 0.654 781 V HN 0.218 nan 8.190 nan 0.000 0.451 782 K N -0.617 119.624 120.400 -0.265 0.000 2.032 782 K HA -0.216 4.096 4.320 -0.013 0.000 0.209 782 K C 2.282 178.793 176.600 -0.149 0.000 1.048 782 K CA 1.959 58.157 56.287 -0.148 0.000 0.927 782 K CB -0.804 31.656 32.500 -0.067 0.000 0.712 782 K HN 0.545 nan 8.250 nan 0.000 0.441 783 C N 0.852 120.037 119.300 -0.192 0.000 2.429 783 C HA -0.084 4.369 4.460 -0.013 0.000 0.277 783 C C 2.498 177.321 174.990 -0.278 0.000 1.262 783 C CA 0.734 59.671 59.018 -0.135 0.000 1.733 783 C CB -0.724 26.960 27.740 -0.093 0.000 2.010 783 C HN 0.479 nan 8.230 nan 0.000 0.483 784 Q N 0.434 119.928 119.800 -0.511 0.000 2.170 784 Q HA -0.176 4.156 4.340 -0.013 0.000 0.203 784 Q C 1.970 177.786 176.000 -0.306 0.000 0.976 784 Q CA 1.616 57.083 55.803 -0.560 0.000 0.858 784 Q CB -0.400 27.768 28.738 -0.950 0.000 0.907 784 Q HN 0.761 nan 8.270 nan 0.000 0.433 785 E N 0.201 120.276 120.200 -0.208 0.000 2.106 785 E HA -0.136 4.207 4.350 -0.013 0.000 0.192 785 E C 2.058 178.625 176.600 -0.055 0.000 0.984 785 E CA 0.580 56.917 56.400 -0.104 0.000 0.806 785 E CB -0.006 29.650 29.700 -0.073 0.000 0.750 785 E HN 0.267 nan 8.360 nan 0.000 0.458 786 R N 0.404 120.882 120.500 -0.037 0.000 2.115 786 R HA -0.063 4.270 4.340 -0.013 0.000 0.230 786 R C 2.390 178.730 176.300 0.067 0.000 1.111 786 R CA 0.777 56.927 56.100 0.084 0.000 0.976 786 R CB -0.240 30.182 30.300 0.203 0.000 0.870 786 R HN 0.065 nan 8.270 nan 0.000 0.445 787 V N 0.679 120.440 119.914 -0.257 0.000 2.295 787 V HA -0.237 3.876 4.120 -0.013 0.000 0.246 787 V C 2.180 178.264 176.094 -0.016 0.000 1.049 787 V CA 1.982 64.031 62.300 -0.417 0.000 1.024 787 V CB -0.376 31.067 31.823 -0.633 0.000 0.648 787 V HN 0.276 nan 8.190 nan 0.000 0.447 788 S N 0.199 115.860 115.700 -0.066 0.000 2.382 788 S HA -0.169 4.293 4.470 -0.013 0.000 0.228 788 S C 2.211 176.867 174.600 0.093 0.000 1.027 788 S CA 1.385 59.576 58.200 -0.014 0.000 0.991 788 S CB -0.503 62.661 63.200 -0.059 0.000 0.823 788 S HN 0.651 nan 8.310 nan 0.000 0.469 789 A N 1.479 124.360 122.820 0.101 0.000 1.877 789 A HA -0.004 4.309 4.320 -0.013 0.000 0.216 789 A C 2.100 179.800 177.584 0.194 0.000 1.186 789 A CA 1.093 53.210 52.037 0.134 0.000 0.620 789 A CB -0.743 18.327 19.000 0.117 0.000 0.822 789 A HN 0.453 nan 8.150 nan 0.000 0.443 790 L N -2.029 119.369 121.223 0.291 0.000 2.093 790 L HA -0.166 4.166 4.340 -0.013 0.000 0.208 790 L C 2.478 179.615 176.870 0.445 0.000 1.085 790 L CA 1.862 56.950 54.840 0.413 0.000 0.755 790 L CB -0.423 42.005 42.059 0.615 0.000 0.904 790 L HN 0.608 nan 8.230 nan 0.000 0.435 791 Y N 0.866 121.281 120.300 0.191 0.000 2.352 791 Y HA -0.250 4.294 4.550 -0.011 0.000 0.292 791 Y C 2.415 178.249 175.900 -0.109 0.000 1.136 791 Y CA 1.506 59.477 58.100 -0.214 0.000 1.227 791 Y CB -0.023 38.105 38.460 -0.555 0.000 0.991 791 Y HN 0.060 nan 8.280 nan 0.000 0.545 792 K N -0.067 120.383 120.400 0.084 0.000 2.360 792 K HA -0.148 4.165 4.320 -0.013 0.000 0.201 792 K C 0.353 176.944 176.600 -0.016 0.000 1.046 792 K CA 0.835 57.151 56.287 0.049 0.000 0.945 792 K CB -0.098 32.469 32.500 0.111 0.000 0.750 792 K HN 0.047 nan 8.250 nan 0.000 0.464 793 N N 0.304 119.009 118.700 0.007 0.000 2.898 793 N HA 0.138 4.870 4.740 -0.013 0.000 0.245 793 N C -2.444 173.070 175.510 0.007 0.000 1.185 793 N CA -2.215 50.845 53.050 0.015 0.000 0.879 793 N CB 1.181 39.708 38.487 0.068 0.000 1.157 793 N HN -0.189 nan 8.380 nan 0.000 0.503 794 P HA -0.165 nan 4.420 nan 0.000 0.216 794 P C 1.386 178.698 177.300 0.021 0.000 1.153 794 P CA 1.080 64.111 63.100 -0.115 0.000 0.858 794 P CB 0.404 32.009 31.700 -0.158 0.000 0.789 795 R N 0.052 120.565 120.500 0.021 0.000 2.081 795 R HA -0.146 4.186 4.340 -0.013 0.000 0.235 795 R C 1.913 178.256 176.300 0.072 0.000 1.131 795 R CA 1.394 57.518 56.100 0.040 0.000 0.960 795 R CB -0.355 29.960 30.300 0.024 0.000 0.856 795 R HN 0.072 nan 8.270 nan 0.000 0.436 796 E N -0.034 120.219 120.200 0.088 0.000 2.152 796 E HA -0.207 4.136 4.350 -0.013 0.000 0.192 796 E C 1.574 178.255 176.600 0.134 0.000 0.983 796 E CA 0.594 57.051 56.400 0.095 0.000 0.818 796 E CB -0.432 29.323 29.700 0.090 0.000 0.758 796 E HN 0.503 nan 8.360 nan 0.000 0.467 797 W N 2.163 123.463 121.300 0.001 0.000 2.333 797 W HA -0.203 4.449 4.660 -0.014 0.000 0.316 797 W C 1.652 178.180 176.519 0.016 0.000 1.215 797 W CA 2.201 59.560 57.345 0.024 0.000 1.278 797 W CB -0.466 28.974 29.460 -0.033 0.000 1.154 797 W HN 0.037 nan 8.180 nan 0.000 0.486 798 T N 1.167 115.857 114.554 0.226 0.000 2.788 798 T HA -0.181 4.162 4.350 -0.013 0.000 0.268 798 T C 1.853 176.563 174.700 0.018 0.000 1.044 798 T CA 1.740 63.905 62.100 0.108 0.000 1.139 798 T CB -0.330 68.588 68.868 0.084 0.000 0.867 798 T HN 0.176 nan 8.240 nan 0.000 0.454 799 R N 0.414 120.931 120.500 0.029 0.000 2.081 799 R HA 0.056 4.388 4.340 -0.013 0.000 0.235 799 R C 2.522 178.813 176.300 -0.015 0.000 1.131 799 R CA 1.315 57.430 56.100 0.025 0.000 0.960 799 R CB -0.352 29.969 30.300 0.035 0.000 0.856 799 R HN 0.367 nan 8.270 nan 0.000 0.436 800 M N 0.447 120.002 119.600 -0.075 0.000 2.175 800 M HA -0.150 4.323 4.480 -0.013 0.000 0.264 800 M C 1.968 178.179 176.300 -0.149 0.000 1.063 800 M CA 1.405 56.624 55.300 -0.136 0.000 1.119 800 M CB 0.143 32.605 32.600 -0.229 0.000 1.377 800 M HN -0.010 nan 8.290 nan 0.000 0.415 801 V N 0.940 120.741 119.914 -0.189 0.000 2.287 801 V HA -0.325 3.788 4.120 -0.013 0.000 0.248 801 V C 2.212 178.289 176.094 -0.028 0.000 1.053 801 V CA 2.114 64.338 62.300 -0.128 0.000 1.027 801 V CB -0.644 31.123 31.823 -0.093 0.000 0.646 801 V HN 0.515 nan 8.190 nan 0.000 0.447 802 I N -0.630 119.945 120.570 0.008 0.000 2.264 802 I HA -0.263 3.900 4.170 -0.013 0.000 0.248 802 I C 2.690 178.857 176.117 0.084 0.000 1.111 802 I CA 1.582 62.937 61.300 0.090 0.000 1.382 802 I CB -0.423 37.684 38.000 0.178 0.000 1.060 802 I HN 0.208 nan 8.210 nan 0.000 0.418 803 R N 0.406 120.932 120.500 0.043 0.000 2.148 803 R HA -0.093 4.240 4.340 -0.013 0.000 0.227 803 R C 2.017 178.345 176.300 0.048 0.000 1.103 803 R CA 1.017 57.141 56.100 0.039 0.000 0.983 803 R CB -0.342 29.966 30.300 0.013 0.000 0.874 803 R HN 0.529 nan 8.270 nan 0.000 0.451 804 N N 0.660 119.382 118.700 0.037 0.000 2.109 804 N HA -0.077 4.656 4.740 -0.013 0.000 0.188 804 N C 1.949 177.513 175.510 0.089 0.000 1.034 804 N CA 1.083 54.173 53.050 0.067 0.000 0.846 804 N CB -0.024 38.481 38.487 0.031 0.000 1.010 804 N HN 0.117 nan 8.380 nan 0.000 0.425 805 I N 1.641 122.255 120.570 0.073 0.000 2.208 805 I HA -0.245 3.918 4.170 -0.013 0.000 0.245 805 I C 2.426 178.592 176.117 0.082 0.000 1.097 805 I CA 0.929 62.278 61.300 0.081 0.000 1.363 805 I CB -0.305 37.738 38.000 0.071 0.000 1.051 805 I HN 0.098 nan 8.210 nan 0.000 0.413 806 A N 0.290 123.158 122.820 0.080 0.000 2.067 806 A HA -0.145 4.168 4.320 -0.013 0.000 0.219 806 A C 2.092 179.712 177.584 0.060 0.000 1.158 806 A CA 1.962 54.037 52.037 0.063 0.000 0.661 806 A CB -0.791 18.249 19.000 0.067 0.000 0.801 806 A HN 0.529 nan 8.150 nan 0.000 0.452 807 T N -2.915 111.688 114.554 0.081 0.000 3.129 807 T HA 0.169 4.511 4.350 -0.013 0.000 0.267 807 T C 1.205 175.990 174.700 0.143 0.000 1.018 807 T CA 0.643 62.794 62.100 0.085 0.000 0.903 807 T CB -0.161 68.757 68.868 0.083 0.000 1.067 807 T HN 0.475 nan 8.240 nan 0.000 0.549 808 S N 0.289 116.091 115.700 0.171 0.000 2.562 808 S HA 0.224 4.687 4.470 -0.013 0.000 0.221 808 S C 2.232 176.962 174.600 0.217 0.000 0.975 808 S CA 0.330 58.704 58.200 0.290 0.000 0.918 808 S CB -0.719 62.622 63.200 0.235 0.000 0.772 808 S HN 0.527 nan 8.310 nan 0.000 0.531 809 G N 2.711 111.561 108.800 0.083 0.000 2.505 809 G HA2 -0.311 3.642 3.960 -0.013 0.000 0.220 809 G HA3 -0.311 3.642 3.960 -0.013 0.000 0.220 809 G C 1.328 176.184 174.900 -0.073 0.000 1.145 809 G CA 1.091 46.207 45.100 0.026 0.000 0.761 809 G HN 0.608 nan 8.290 nan 0.000 0.571 810 K N -0.143 120.095 120.400 -0.269 0.000 2.211 810 K HA -0.050 4.263 4.320 -0.013 0.000 0.204 810 K C 1.344 177.640 176.600 -0.507 0.000 1.047 810 K CA 0.830 56.823 56.287 -0.491 0.000 0.935 810 K CB -0.272 31.750 32.500 -0.797 0.000 0.728 810 K HN 0.430 nan 8.250 nan 0.000 0.452 811 F N 0.805 120.785 119.950 0.050 0.000 2.664 811 F HA 0.129 4.648 4.527 -0.013 0.000 0.301 811 F C 0.839 176.683 175.800 0.075 0.000 1.126 811 F CA -0.594 57.442 58.000 0.059 0.000 1.373 811 F CB 0.423 39.454 39.000 0.052 0.000 1.042 811 F HN -0.123 nan 8.300 nan 0.000 0.535 812 S N 0.427 116.216 115.700 0.149 0.000 2.531 812 S HA 0.044 4.506 4.470 -0.013 0.000 0.279 812 S C 1.477 176.162 174.600 0.141 0.000 1.305 812 S CA -0.133 58.149 58.200 0.136 0.000 1.058 812 S CB 0.766 64.017 63.200 0.084 0.000 0.899 812 S HN 0.367 nan 8.310 nan 0.000 0.493 813 S N 3.334 119.141 115.700 0.180 0.000 2.507 813 S HA -0.087 4.375 4.470 -0.013 0.000 0.235 813 S C 0.983 175.644 174.600 0.102 0.000 0.988 813 S CA 0.773 59.101 58.200 0.214 0.000 0.944 813 S CB -0.345 63.052 63.200 0.329 0.000 0.762 813 S HN 0.794 nan 8.310 nan 0.000 0.526 814 D N 1.906 122.350 120.400 0.072 0.000 2.117 814 D HA -0.089 4.544 4.640 -0.013 0.000 0.197 814 D C 2.112 178.422 176.300 0.015 0.000 0.987 814 D CA 0.811 54.830 54.000 0.032 0.000 0.829 814 D CB -0.342 40.474 40.800 0.026 0.000 0.961 814 D HN 0.298 nan 8.370 nan 0.000 0.460 815 R N 0.821 121.333 120.500 0.020 0.000 2.073 815 R HA -0.094 4.238 4.340 -0.013 0.000 0.234 815 R C 1.933 178.230 176.300 -0.005 0.000 1.134 815 R CA 1.469 57.566 56.100 -0.005 0.000 0.952 815 R CB -0.834 29.451 30.300 -0.026 0.000 0.850 815 R HN 0.125 nan 8.270 nan 0.000 0.433 816 T N 2.254 116.830 114.554 0.037 0.000 2.635 816 T HA -0.138 4.204 4.350 -0.013 0.000 0.267 816 T C 1.933 176.645 174.700 0.020 0.000 1.040 816 T CA 1.482 63.624 62.100 0.071 0.000 1.156 816 T CB -0.145 68.850 68.868 0.210 0.000 0.863 816 T HN 0.115 nan 8.240 nan 0.000 0.430 817 I N 1.611 122.116 120.570 -0.107 0.000 2.315 817 I HA -0.082 4.081 4.170 -0.013 0.000 0.248 817 I C 2.926 179.000 176.117 -0.072 0.000 1.117 817 I CA 0.936 62.129 61.300 -0.178 0.000 1.404 817 I CB -1.622 36.265 38.000 -0.187 0.000 1.071 817 I HN 0.198 nan 8.210 nan 0.000 0.419 818 A N 0.230 123.027 122.820 -0.037 0.000 1.940 818 A HA -0.243 4.070 4.320 -0.013 0.000 0.219 818 A C 2.250 179.793 177.584 -0.068 0.000 1.176 818 A CA 1.496 53.518 52.037 -0.026 0.000 0.631 818 A CB -0.555 18.436 19.000 -0.016 0.000 0.814 818 A HN 0.515 nan 8.150 nan 0.000 0.446 819 Q N -1.908 117.832 119.800 -0.099 0.000 2.083 819 Q HA -0.152 4.180 4.340 -0.013 0.000 0.198 819 Q C 1.924 177.751 176.000 -0.289 0.000 0.969 819 Q CA 1.567 57.270 55.803 -0.166 0.000 0.838 819 Q CB -0.296 28.337 28.738 -0.175 0.000 0.900 819 Q HN 0.826 nan 8.270 nan 0.000 0.436 820 Y N 0.615 120.624 120.300 -0.486 0.000 2.128 820 Y HA -0.290 4.252 4.550 -0.013 0.000 0.284 820 Y C 2.486 177.817 175.900 -0.948 0.000 1.154 820 Y CA 1.261 58.812 58.100 -0.916 0.000 1.149 820 Y CB -0.429 37.150 38.460 -1.468 0.000 0.976 820 Y HN 0.160 nan 8.280 nan 0.000 0.505 821 A N 0.329 122.928 122.820 -0.369 0.000 1.865 821 A HA -0.229 4.084 4.320 -0.013 0.000 0.217 821 A C 2.236 179.840 177.584 0.033 0.000 1.191 821 A CA 2.073 54.143 52.037 0.055 0.000 0.623 821 A CB -0.563 18.538 19.000 0.168 0.000 0.826 821 A HN 0.429 nan 8.150 nan 0.000 0.444 822 R N -0.824 119.653 120.500 -0.038 0.000 2.093 822 R HA -0.009 4.323 4.340 -0.013 0.000 0.224 822 R C 1.710 177.990 176.300 -0.034 0.000 1.101 822 R CA 1.420 57.509 56.100 -0.017 0.000 0.979 822 R CB -0.127 30.158 30.300 -0.026 0.000 0.877 822 R HN 0.658 nan 8.270 nan 0.000 0.441 823 E N -0.557 119.583 120.200 -0.099 0.000 2.431 823 E HA 0.124 4.467 4.350 -0.013 0.000 0.200 823 E C 1.399 177.955 176.600 -0.073 0.000 0.995 823 E CA 0.310 56.656 56.400 -0.091 0.000 0.915 823 E CB 0.615 30.233 29.700 -0.136 0.000 0.930 823 E HN 0.263 nan 8.360 nan 0.000 0.496 824 I N -1.100 119.394 120.570 -0.126 0.000 3.570 824 I HA 0.029 4.192 4.170 -0.013 0.000 0.270 824 I C 1.324 177.587 176.117 0.244 0.000 1.162 824 I CA -0.046 61.247 61.300 -0.013 0.000 1.413 824 I CB 0.219 38.074 38.000 -0.242 0.000 1.437 824 I HN 0.113 nan 8.210 nan 0.000 0.457 825 W N 1.533 122.925 121.300 0.153 0.000 2.658 825 W HA 0.309 4.961 4.660 -0.012 0.000 0.263 825 W C 1.530 178.086 176.519 0.061 0.000 1.274 825 W CA 0.847 58.264 57.345 0.120 0.000 1.343 825 W CB -1.078 28.443 29.460 0.102 0.000 1.106 825 W HN 0.328 nan 8.180 nan 0.000 0.615 826 G N 1.119 110.061 108.800 0.235 0.000 2.225 826 G HA2 -0.122 3.831 3.960 -0.013 0.000 0.264 826 G HA3 -0.122 3.831 3.960 -0.013 0.000 0.264 826 G C -0.265 174.709 174.900 0.123 0.000 1.060 826 G CA 0.267 45.446 45.100 0.132 0.000 0.833 826 G HN 0.388 nan 8.290 nan 0.000 0.498 827 V N -3.658 116.351 119.914 0.159 0.000 2.914 827 V HA 0.939 5.051 4.120 -0.013 0.000 0.314 827 V C -0.309 175.846 176.094 0.103 0.000 1.084 827 V CA -1.594 60.779 62.300 0.122 0.000 0.963 827 V CB 2.301 34.205 31.823 0.135 0.000 1.025 827 V HN 0.312 nan 8.190 nan 0.000 0.432 828 E N 4.038 124.282 120.200 0.072 0.000 2.134 828 E HA 0.636 4.978 4.350 -0.013 0.000 0.278 828 E C -2.479 174.158 176.600 0.061 0.000 0.959 828 E CA -2.088 54.347 56.400 0.058 0.000 0.783 828 E CB 1.346 31.071 29.700 0.043 0.000 1.095 828 E HN 0.787 nan 8.360 nan 0.000 0.399 829 P HA 0.133 nan 4.420 nan 0.000 0.270 829 P C -0.900 176.430 177.300 0.050 0.000 1.223 829 P CA -0.424 62.711 63.100 0.059 0.000 0.785 829 P CB 1.060 32.791 31.700 0.051 0.000 0.923 830 S N 0.446 116.177 115.700 0.051 0.000 2.572 830 S HA 0.330 4.792 4.470 -0.013 0.000 0.274 830 S C 0.348 174.975 174.600 0.044 0.000 1.150 830 S CA -0.731 57.497 58.200 0.048 0.000 0.944 830 S CB 1.054 64.288 63.200 0.057 0.000 1.071 830 S HN 0.281 nan 8.310 nan 0.000 0.479 831 R N 2.141 122.662 120.500 0.036 0.000 2.334 831 R HA 0.194 4.526 4.340 -0.013 0.000 0.216 831 R C -0.056 176.257 176.300 0.022 0.000 0.905 831 R CA 0.064 56.184 56.100 0.033 0.000 1.064 831 R CB 0.137 30.456 30.300 0.033 0.000 1.046 831 R HN 0.689 nan 8.270 nan 0.000 0.508 832 Q N 1.080 120.892 119.800 0.020 0.000 2.311 832 Q HA 0.068 4.401 4.340 -0.013 0.000 0.272 832 Q C -0.272 175.723 176.000 -0.008 0.000 1.012 832 Q CA 0.280 56.088 55.803 0.008 0.000 0.891 832 Q CB 0.762 29.508 28.738 0.013 0.000 1.201 832 Q HN -0.191 nan 8.270 nan 0.000 0.391 833 R N 1.734 122.221 120.500 -0.023 0.000 2.537 833 R HA 0.170 4.503 4.340 -0.013 0.000 0.280 833 R C -0.427 175.835 176.300 -0.064 0.000 1.058 833 R CA 0.047 56.121 56.100 -0.043 0.000 1.057 833 R CB 0.371 30.644 30.300 -0.045 0.000 0.973 833 R HN 0.513 nan 8.270 nan 0.000 0.438 834 L N 5.769 126.939 121.223 -0.088 0.000 2.395 834 L HA 0.319 4.651 4.340 -0.013 0.000 0.269 834 L C -1.667 175.145 176.870 -0.097 0.000 1.133 834 L CA -1.978 52.781 54.840 -0.136 0.000 0.812 834 L CB 0.970 42.925 42.059 -0.174 0.000 1.125 834 L HN 0.478 nan 8.230 nan 0.000 0.452 835 P HA 0.039 nan 4.420 nan 0.000 0.264 835 P C -0.558 176.712 177.300 -0.050 0.000 1.193 835 P CA -0.162 62.902 63.100 -0.060 0.000 0.763 835 P CB 0.734 32.403 31.700 -0.052 0.000 0.810 836 A N 0.000 122.799 122.820 -0.036 0.000 2.254 836 A HA 0.000 4.312 4.320 -0.013 0.000 0.244 836 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 836 A CB 0.000 18.989 19.000 -0.018 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486