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 3l7a_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 KSSKXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.982 176.000 -0.030 0.000 1.003 12 Q CA 0.000 55.772 55.803 -0.052 0.000 1.022 12 Q CB 0.000 28.702 28.738 -0.061 0.000 1.108 13 I N -0.696 119.862 120.570 -0.021 0.000 2.603 13 I HA 0.555 4.719 4.170 -0.011 0.000 0.300 13 I C 0.948 177.065 176.117 -0.001 0.000 1.017 13 I CA -0.237 61.059 61.300 -0.007 0.000 1.098 13 I CB 1.982 39.981 38.000 -0.000 0.000 1.279 13 I HN 0.176 nan 8.210 nan 0.000 0.437 14 S N 3.651 119.356 115.700 0.008 0.000 2.359 14 S HA -0.167 4.297 4.470 -0.011 0.000 0.224 14 S C 1.792 176.403 174.600 0.018 0.000 1.035 14 S CA 2.116 60.323 58.200 0.013 0.000 1.018 14 S CB -0.602 62.610 63.200 0.020 0.000 0.876 14 S HN 0.840 nan 8.310 nan 0.000 0.448 15 V N -0.057 119.876 119.914 0.031 0.000 3.026 15 V HA 0.084 4.197 4.120 -0.011 0.000 0.265 15 V C 2.085 178.195 176.094 0.028 0.000 1.121 15 V CA 1.577 63.900 62.300 0.038 0.000 1.142 15 V CB -1.094 30.761 31.823 0.053 0.000 0.730 15 V HN 0.406 nan 8.190 nan 0.000 0.503 16 R N 1.095 121.602 120.500 0.012 0.000 2.310 16 R HA 0.426 4.759 4.340 -0.011 0.000 0.202 16 R C 1.187 177.479 176.300 -0.014 0.000 0.933 16 R CA 0.567 56.667 56.100 -0.001 0.000 1.054 16 R CB 0.026 30.321 30.300 -0.008 0.000 0.985 16 R HN 0.776 nan 8.270 nan 0.000 0.489 17 G N 0.849 109.641 108.800 -0.013 0.000 2.660 17 G HA2 -0.243 3.711 3.960 -0.011 0.000 0.247 17 G HA3 -0.243 3.711 3.960 -0.011 0.000 0.247 17 G C -0.676 174.209 174.900 -0.025 0.000 1.328 17 G CA -0.979 44.106 45.100 -0.025 0.000 0.884 17 G HN 0.076 nan 8.290 nan 0.000 0.531 18 L N 0.241 121.447 121.223 -0.028 0.000 2.357 18 L HA 0.654 4.987 4.340 -0.011 0.000 0.273 18 L C 1.044 177.900 176.870 -0.024 0.000 1.080 18 L CA -0.166 54.660 54.840 -0.023 0.000 0.803 18 L CB 1.786 43.833 42.059 -0.020 0.000 1.174 18 L HN 1.222 nan 8.230 nan 0.000 0.443 19 A N 2.189 124.997 122.820 -0.020 0.000 3.150 19 A HA 0.551 4.865 4.320 -0.011 0.000 0.328 19 A C 0.400 177.978 177.584 -0.009 0.000 1.104 19 A CA -0.412 51.614 52.037 -0.017 0.000 0.937 19 A CB -0.209 18.779 19.000 -0.021 0.000 1.073 19 A HN 0.764 nan 8.150 nan 0.000 0.497 20 G N -0.421 108.376 108.800 -0.006 0.000 2.442 20 G HA2 0.342 4.296 3.960 -0.011 0.000 0.249 20 G HA3 0.342 4.296 3.960 -0.011 0.000 0.249 20 G C 1.090 175.994 174.900 0.006 0.000 1.263 20 G CA 0.257 45.356 45.100 -0.000 0.000 0.846 20 G HN 0.718 nan 8.290 nan 0.000 0.555 21 V N 1.746 121.664 119.914 0.007 0.000 2.324 21 V HA -0.202 3.912 4.120 -0.011 0.000 0.250 21 V C 2.643 178.747 176.094 0.016 0.000 1.060 21 V CA 2.950 65.256 62.300 0.011 0.000 1.042 21 V CB -0.360 31.469 31.823 0.009 0.000 0.650 21 V HN 0.915 nan 8.190 nan 0.000 0.450 22 E N -0.000 120.210 120.200 0.016 0.000 2.051 22 E HA -0.212 4.132 4.350 -0.011 0.000 0.192 22 E C 2.032 178.652 176.600 0.033 0.000 0.991 22 E CA 1.835 58.248 56.400 0.023 0.000 0.799 22 E CB -0.244 29.469 29.700 0.021 0.000 0.748 22 E HN 0.657 nan 8.360 nan 0.000 0.449 23 N N -0.735 117.984 118.700 0.032 0.000 2.106 23 N HA -0.122 4.611 4.740 -0.011 0.000 0.188 23 N C 1.651 177.186 175.510 0.042 0.000 1.029 23 N CA 1.153 54.229 53.050 0.043 0.000 0.848 23 N CB -0.203 38.297 38.487 0.023 0.000 1.007 23 N HN 0.009 nan 8.380 nan 0.000 0.423 24 V N 0.348 120.278 119.914 0.026 0.000 2.343 24 V HA -0.235 3.878 4.120 -0.011 0.000 0.247 24 V C 2.072 178.185 176.094 0.032 0.000 1.051 24 V CA 1.941 64.255 62.300 0.023 0.000 1.036 24 V CB -1.011 30.821 31.823 0.015 0.000 0.654 24 V HN 0.386 nan 8.190 nan 0.000 0.451 25 T N -0.599 113.975 114.554 0.032 0.000 2.684 25 T HA -0.187 4.157 4.350 -0.011 0.000 0.267 25 T C 1.904 176.636 174.700 0.052 0.000 1.036 25 T CA 1.496 63.617 62.100 0.034 0.000 1.148 25 T CB -0.249 68.635 68.868 0.027 0.000 0.863 25 T HN 0.453 nan 8.240 nan 0.000 0.436 26 E N 1.009 121.247 120.200 0.064 0.000 2.051 26 E HA -0.021 4.323 4.350 -0.011 0.000 0.192 26 E C 2.391 179.065 176.600 0.123 0.000 0.991 26 E CA 0.740 57.192 56.400 0.085 0.000 0.799 26 E CB -0.490 29.266 29.700 0.094 0.000 0.748 26 E HN 0.456 nan 8.360 nan 0.000 0.449 27 L N 0.801 122.103 121.223 0.132 0.000 2.012 27 L HA -0.234 4.099 4.340 -0.011 0.000 0.210 27 L C 2.542 179.512 176.870 0.167 0.000 1.073 27 L CA 1.475 56.412 54.840 0.162 0.000 0.748 27 L CB -0.367 41.755 42.059 0.105 0.000 0.891 27 L HN 0.062 nan 8.230 nan 0.000 0.431 28 K N 0.312 120.771 120.400 0.098 0.000 2.063 28 K HA -0.219 4.095 4.320 -0.011 0.000 0.208 28 K C 2.149 178.844 176.600 0.158 0.000 1.048 28 K CA 1.808 58.144 56.287 0.082 0.000 0.928 28 K CB -0.119 32.392 32.500 0.019 0.000 0.713 28 K HN 0.389 nan 8.250 nan 0.000 0.442 29 K N 0.306 120.781 120.400 0.126 0.000 2.103 29 K HA -0.063 4.251 4.320 -0.011 0.000 0.204 29 K C 1.535 178.219 176.600 0.140 0.000 1.052 29 K CA 1.325 57.682 56.287 0.116 0.000 0.945 29 K CB -0.118 32.425 32.500 0.072 0.000 0.722 29 K HN 0.011 nan 8.250 nan 0.000 0.443 30 N N 0.456 119.251 118.700 0.159 0.000 2.270 30 N HA -0.108 4.626 4.740 -0.011 0.000 0.181 30 N C 1.605 177.266 175.510 0.252 0.000 1.016 30 N CA 0.887 54.028 53.050 0.151 0.000 0.870 30 N CB -0.253 38.335 38.487 0.168 0.000 0.979 30 N HN 0.218 nan 8.380 nan 0.000 0.431 31 F N 2.537 122.585 119.950 0.163 0.000 2.102 31 F HA -0.114 4.407 4.527 -0.010 0.000 0.298 31 F C 2.011 177.915 175.800 0.172 0.000 1.105 31 F CA 1.280 59.390 58.000 0.184 0.000 1.239 31 F CB -0.129 38.948 39.000 0.129 0.000 0.991 31 F HN -0.040 nan 8.300 nan 0.000 0.474 32 N N 0.470 119.400 118.700 0.382 0.000 2.188 32 N HA -0.180 4.553 4.740 -0.011 0.000 0.184 32 N C 2.009 177.607 175.510 0.147 0.000 1.018 32 N CA 1.121 54.321 53.050 0.249 0.000 0.858 32 N CB -0.524 38.088 38.487 0.208 0.000 0.989 32 N HN 0.380 nan 8.380 nan 0.000 0.426 33 R N 0.200 120.782 120.500 0.136 0.000 2.073 33 R HA -0.092 4.242 4.340 -0.011 0.000 0.234 33 R C 1.818 178.203 176.300 0.141 0.000 1.134 33 R CA 1.465 57.669 56.100 0.173 0.000 0.952 33 R CB -0.227 30.092 30.300 0.032 0.000 0.850 33 R HN 0.374 nan 8.270 nan 0.000 0.433 34 H N -0.311 118.806 119.070 0.078 0.000 2.353 34 H HA -0.133 4.417 4.556 -0.011 0.000 0.300 34 H C 1.906 177.180 175.328 -0.089 0.000 1.090 34 H CA 1.500 57.529 56.048 -0.032 0.000 1.327 34 H CB 0.045 29.752 29.762 -0.092 0.000 1.383 34 H HN 0.129 nan 8.280 nan 0.000 0.508 35 L N -0.035 121.177 121.223 -0.017 0.000 2.079 35 L HA -0.207 4.127 4.340 -0.011 0.000 0.210 35 L C 2.205 179.060 176.870 -0.025 0.000 1.081 35 L CA 1.893 56.697 54.840 -0.060 0.000 0.752 35 L CB -0.424 41.606 42.059 -0.047 0.000 0.896 35 L HN 0.314 nan 8.230 nan 0.000 0.433 36 H N -1.849 117.154 119.070 -0.113 0.000 2.276 36 H HA -0.058 4.492 4.556 -0.011 0.000 0.307 36 H C 1.808 176.943 175.328 -0.322 0.000 1.061 36 H CA 2.240 58.125 56.048 -0.272 0.000 1.336 36 H CB -0.261 29.247 29.762 -0.424 0.000 1.396 36 H HN 0.284 nan 8.280 nan 0.000 0.503 37 F N -0.438 119.505 119.950 -0.012 0.000 2.234 37 F HA -0.017 4.503 4.527 -0.011 0.000 0.296 37 F C 2.588 178.319 175.800 -0.114 0.000 1.089 37 F CA 1.392 59.343 58.000 -0.081 0.000 1.343 37 F CB -0.352 38.632 39.000 -0.027 0.000 1.040 37 F HN 0.178 nan 8.300 nan 0.000 0.498 38 T N -0.001 114.592 114.554 0.066 0.000 2.901 38 T HA 0.072 4.415 4.350 -0.011 0.000 0.252 38 T C 2.001 176.617 174.700 -0.139 0.000 1.035 38 T CA 0.826 62.890 62.100 -0.060 0.000 1.142 38 T CB -0.281 68.514 68.868 -0.123 0.000 0.869 38 T HN 0.100 nan 8.240 nan 0.000 0.442 39 L N 1.177 122.321 121.223 -0.133 0.000 2.446 39 L HA 0.184 4.517 4.340 -0.011 0.000 0.219 39 L C 0.450 177.230 176.870 -0.150 0.000 1.116 39 L CA -0.015 54.736 54.840 -0.148 0.000 0.844 39 L CB -0.151 41.832 42.059 -0.126 0.000 0.970 39 L HN 0.002 nan 8.230 nan 0.000 0.457 40 V N 0.650 120.456 119.914 -0.179 0.000 6.078 40 V HA -0.265 3.849 4.120 -0.011 0.000 0.301 40 V C -0.099 175.884 176.094 -0.185 0.000 0.571 40 V CA 1.098 63.262 62.300 -0.228 0.000 0.625 40 V CB -2.162 29.552 31.823 -0.182 0.000 0.271 40 V HN 0.423 nan 8.190 nan 0.000 0.788 41 K N 0.755 121.055 120.400 -0.168 0.000 2.482 41 K HA 0.690 5.003 4.320 -0.011 0.000 0.257 41 K C -0.354 176.211 176.600 -0.059 0.000 0.969 41 K CA -0.484 55.738 56.287 -0.108 0.000 0.842 41 K CB 2.715 35.154 32.500 -0.102 0.000 1.359 41 K HN 0.535 nan 8.250 nan 0.000 0.441 42 D N -0.701 119.686 120.400 -0.021 0.000 2.384 42 D HA 0.316 4.950 4.640 -0.011 0.000 0.250 42 D C 0.771 177.106 176.300 0.058 0.000 1.029 42 D CA -0.731 53.292 54.000 0.038 0.000 0.990 42 D CB 1.015 41.834 40.800 0.033 0.000 1.175 42 D HN 0.083 nan 8.370 nan 0.000 0.532 43 R N 0.244 120.810 120.500 0.111 0.000 2.241 43 R HA -0.032 4.301 4.340 -0.011 0.000 0.224 43 R C 0.764 177.138 176.300 0.124 0.000 1.101 43 R CA 0.555 56.760 56.100 0.175 0.000 0.995 43 R CB -0.657 29.753 30.300 0.184 0.000 0.870 43 R HN 0.548 nan 8.270 nan 0.000 0.463 44 N N -0.092 118.650 118.700 0.069 0.000 2.457 44 N HA -0.084 4.649 4.740 -0.011 0.000 0.180 44 N C 1.510 177.037 175.510 0.028 0.000 1.050 44 N CA 0.626 53.705 53.050 0.048 0.000 0.906 44 N CB 0.357 38.862 38.487 0.031 0.000 0.968 44 N HN 0.040 nan 8.380 nan 0.000 0.445 45 V N 0.027 119.946 119.914 0.007 0.000 3.548 45 V HA 0.380 4.493 4.120 -0.011 0.000 0.279 45 V C 0.367 176.425 176.094 -0.059 0.000 1.446 45 V CA -0.125 62.164 62.300 -0.019 0.000 1.023 45 V CB 0.081 31.889 31.823 -0.026 0.000 0.820 45 V HN 0.118 nan 8.190 nan 0.000 0.438 46 A N 1.333 124.093 122.820 -0.099 0.000 2.462 46 A HA 0.531 4.845 4.320 -0.011 0.000 0.243 46 A C 0.669 178.060 177.584 -0.320 0.000 1.076 46 A CA 0.752 52.621 52.037 -0.280 0.000 0.773 46 A CB -0.047 18.663 19.000 -0.483 0.000 1.010 46 A HN 0.658 nan 8.150 nan 0.000 0.493 47 T N 0.103 114.470 114.554 -0.313 0.000 2.948 47 T HA 0.566 4.909 4.350 -0.011 0.000 0.285 47 T C -2.137 172.449 174.700 -0.190 0.000 1.019 47 T CA -1.755 60.244 62.100 -0.168 0.000 1.013 47 T CB 1.168 69.998 68.868 -0.065 0.000 1.117 47 T HN 0.259 nan 8.240 nan 0.000 0.533 48 P HA -0.112 nan 4.420 nan 0.000 0.216 48 P C 1.612 179.016 177.300 0.174 0.000 1.150 48 P CA 0.977 64.202 63.100 0.209 0.000 0.843 48 P CB 0.053 31.849 31.700 0.160 0.000 0.787 49 R N 0.022 120.575 120.500 0.089 0.000 2.081 49 R HA -0.146 4.188 4.340 -0.011 0.000 0.235 49 R C 1.688 178.159 176.300 0.284 0.000 1.131 49 R CA 1.828 58.022 56.100 0.156 0.000 0.960 49 R CB -0.704 29.625 30.300 0.049 0.000 0.856 49 R HN 0.101 nan 8.270 nan 0.000 0.436 50 D N -0.353 120.099 120.400 0.087 0.000 2.117 50 D HA -0.193 4.441 4.640 -0.011 0.000 0.197 50 D C 1.742 178.083 176.300 0.069 0.000 0.987 50 D CA 1.318 55.332 54.000 0.023 0.000 0.829 50 D CB -0.305 40.369 40.800 -0.211 0.000 0.961 50 D HN 0.305 nan 8.370 nan 0.000 0.460 51 Y N 0.177 120.584 120.300 0.178 0.000 2.181 51 Y HA -0.206 4.338 4.550 -0.010 0.000 0.288 51 Y C 2.343 178.380 175.900 0.227 0.000 1.146 51 Y CA 0.273 58.519 58.100 0.242 0.000 1.164 51 Y CB -1.241 37.415 38.460 0.326 0.000 0.982 51 Y HN 0.085 nan 8.280 nan 0.000 0.515 52 Y N -0.343 120.100 120.300 0.239 0.000 2.081 52 Y HA -0.318 4.225 4.550 -0.011 0.000 0.280 52 Y C 2.043 177.911 175.900 -0.053 0.000 1.163 52 Y CA 1.461 59.593 58.100 0.053 0.000 1.135 52 Y CB -1.174 37.221 38.460 -0.108 0.000 0.970 52 Y HN 0.043 nan 8.280 nan 0.000 0.498 53 F N 0.245 119.986 119.950 -0.348 0.000 2.171 53 F HA -0.176 4.345 4.527 -0.010 0.000 0.300 53 F C 2.662 178.302 175.800 -0.266 0.000 1.090 53 F CA 1.402 59.140 58.000 -0.437 0.000 1.293 53 F CB -0.893 38.031 39.000 -0.127 0.000 1.013 53 F HN 0.213 nan 8.300 nan 0.000 0.486 54 A N -0.233 122.544 122.820 -0.071 0.000 1.902 54 A HA -0.184 4.130 4.320 -0.011 0.000 0.217 54 A C 2.060 179.523 177.584 -0.202 0.000 1.181 54 A CA 1.580 53.446 52.037 -0.286 0.000 0.623 54 A CB -0.975 17.513 19.000 -0.853 0.000 0.818 54 A HN 0.349 nan 8.150 nan 0.000 0.443 55 L N -0.352 120.861 121.223 -0.016 0.000 2.056 55 L HA 0.017 4.351 4.340 -0.011 0.000 0.207 55 L C 2.665 179.509 176.870 -0.044 0.000 1.078 55 L CA 2.080 57.026 54.840 0.176 0.000 0.749 55 L CB -0.921 41.307 42.059 0.280 0.000 0.901 55 L HN 0.334 nan 8.230 nan 0.000 0.433 56 A N -1.207 121.401 122.820 -0.354 0.000 1.877 56 A HA -0.273 4.041 4.320 -0.011 0.000 0.216 56 A C 2.131 179.346 177.584 -0.615 0.000 1.186 56 A CA 1.959 53.660 52.037 -0.562 0.000 0.620 56 A CB -1.092 17.244 19.000 -1.108 0.000 0.822 56 A HN 0.668 nan 8.150 nan 0.000 0.443 57 H N -0.723 118.034 119.070 -0.521 0.000 2.387 57 H HA -0.068 4.482 4.556 -0.010 0.000 0.299 57 H C 2.321 177.395 175.328 -0.422 0.000 1.090 57 H CA 1.967 57.641 56.048 -0.624 0.000 1.332 57 H CB -0.187 28.950 29.762 -1.042 0.000 1.386 57 H HN 0.464 nan 8.280 nan 0.000 0.516 58 T N -0.297 114.224 114.554 -0.056 0.000 2.746 58 T HA -0.126 4.217 4.350 -0.011 0.000 0.267 58 T C 2.254 177.115 174.700 0.268 0.000 1.039 58 T CA 1.328 63.567 62.100 0.233 0.000 1.142 58 T CB -0.350 68.709 68.868 0.318 0.000 0.866 58 T HN 0.102 nan 8.240 nan 0.000 0.444 59 V N 1.566 121.593 119.914 0.188 0.000 2.379 59 V HA -0.103 4.011 4.120 -0.011 0.000 0.245 59 V C 2.623 178.884 176.094 0.278 0.000 1.044 59 V CA 1.482 63.924 62.300 0.236 0.000 1.036 59 V CB -0.636 31.327 31.823 0.232 0.000 0.664 59 V HN 0.370 nan 8.190 nan 0.000 0.453 60 R N 0.322 120.939 120.500 0.195 0.000 2.091 60 R HA -0.234 4.099 4.340 -0.011 0.000 0.238 60 R C 1.960 178.371 176.300 0.184 0.000 1.136 60 R CA 2.184 58.399 56.100 0.193 0.000 0.959 60 R CB -0.476 29.788 30.300 -0.059 0.000 0.856 60 R HN 0.469 nan 8.270 nan 0.000 0.437 61 D N -0.178 120.324 120.400 0.170 0.000 2.158 61 D HA -0.164 4.470 4.640 -0.011 0.000 0.197 61 D C 1.681 178.021 176.300 0.067 0.000 0.995 61 D CA 1.415 55.493 54.000 0.131 0.000 0.846 61 D CB -0.356 40.525 40.800 0.135 0.000 0.941 61 D HN 0.488 nan 8.370 nan 0.000 0.456 62 H N -0.488 118.646 119.070 0.106 0.000 2.495 62 H HA 0.107 4.656 4.556 -0.010 0.000 0.287 62 H C 2.066 177.436 175.328 0.070 0.000 1.033 62 H CA 0.444 56.539 56.048 0.078 0.000 1.307 62 H CB 0.016 29.816 29.762 0.063 0.000 1.401 62 H HN 0.102 nan 8.280 nan 0.000 0.555 63 L N 0.067 121.402 121.223 0.187 0.000 2.179 63 L HA -0.105 4.229 4.340 -0.011 0.000 0.208 63 L C 2.320 179.298 176.870 0.180 0.000 1.096 63 L CA 0.625 55.539 54.840 0.124 0.000 0.779 63 L CB -0.160 41.940 42.059 0.068 0.000 0.922 63 L HN 0.296 nan 8.230 nan 0.000 0.443 64 V N -2.860 117.179 119.914 0.208 0.000 2.358 64 V HA -0.078 4.036 4.120 -0.011 0.000 0.246 64 V C 2.353 178.564 176.094 0.195 0.000 1.047 64 V CA 1.830 64.291 62.300 0.270 0.000 1.035 64 V CB -1.734 30.212 31.823 0.205 0.000 0.658 64 V HN 0.353 nan 8.190 nan 0.000 0.452 65 G N 0.315 109.181 108.800 0.110 0.000 2.446 65 G HA2 -0.231 3.723 3.960 -0.011 0.000 0.217 65 G HA3 -0.231 3.723 3.960 -0.011 0.000 0.217 65 G C 1.774 176.720 174.900 0.076 0.000 1.168 65 G CA 0.980 46.119 45.100 0.066 0.000 0.771 65 G HN 0.535 nan 8.290 nan 0.000 0.551 66 R N -1.445 119.110 120.500 0.091 0.000 2.092 66 R HA -0.066 4.268 4.340 -0.011 0.000 0.231 66 R C 2.254 178.638 176.300 0.140 0.000 1.119 66 R CA 1.105 57.249 56.100 0.073 0.000 0.970 66 R CB -0.338 29.989 30.300 0.046 0.000 0.864 66 R HN 0.475 nan 8.270 nan 0.000 0.440 67 W N 1.546 122.830 121.300 -0.028 0.000 2.355 67 W HA -0.070 4.584 4.660 -0.010 0.000 0.309 67 W C 1.720 178.216 176.519 -0.039 0.000 1.206 67 W CA 0.915 58.242 57.345 -0.030 0.000 1.284 67 W CB -0.636 28.825 29.460 0.002 0.000 1.145 67 W HN -0.048 nan 8.180 nan 0.000 0.502 68 I N 0.928 121.554 120.570 0.094 0.000 2.226 68 I HA -0.348 3.816 4.170 -0.011 0.000 0.245 68 I C 2.708 178.809 176.117 -0.027 0.000 1.100 68 I CA 2.143 63.414 61.300 -0.048 0.000 1.374 68 I CB -0.619 37.356 38.000 -0.041 0.000 1.057 68 I HN -0.009 nan 8.210 nan 0.000 0.413 69 R N 0.264 120.765 120.500 0.001 0.000 2.153 69 R HA -0.040 4.293 4.340 -0.011 0.000 0.218 69 R C 1.918 178.187 176.300 -0.053 0.000 1.072 69 R CA 1.449 57.539 56.100 -0.017 0.000 0.990 69 R CB -1.018 29.273 30.300 -0.015 0.000 0.889 69 R HN 0.143 nan 8.270 nan 0.000 0.452 70 T N 1.652 116.158 114.554 -0.081 0.000 2.652 70 T HA -0.122 4.222 4.350 -0.011 0.000 0.267 70 T C 1.782 176.239 174.700 -0.404 0.000 1.039 70 T CA 1.484 63.434 62.100 -0.250 0.000 1.153 70 T CB -0.142 68.615 68.868 -0.186 0.000 0.863 70 T HN 0.270 nan 8.240 nan 0.000 0.428 71 Q N 0.750 120.445 119.800 -0.176 0.000 2.167 71 Q HA -0.078 4.256 4.340 -0.011 0.000 0.202 71 Q C 2.347 178.352 176.000 0.010 0.000 0.970 71 Q CA 1.224 56.986 55.803 -0.069 0.000 0.855 71 Q CB -0.486 28.245 28.738 -0.012 0.000 0.911 71 Q HN 0.532 nan 8.270 nan 0.000 0.438 72 Q N 0.252 120.050 119.800 -0.003 0.000 2.084 72 Q HA -0.200 4.134 4.340 -0.011 0.000 0.202 72 Q C 1.935 178.014 176.000 0.132 0.000 0.978 72 Q CA 1.915 57.758 55.803 0.068 0.000 0.844 72 Q CB -0.358 28.402 28.738 0.037 0.000 0.898 72 Q HN 0.533 nan 8.270 nan 0.000 0.426 73 H N -0.915 118.124 119.070 -0.052 0.000 2.319 73 H HA -0.188 4.361 4.556 -0.010 0.000 0.299 73 H C 1.211 176.592 175.328 0.088 0.000 1.092 73 H CA 2.353 58.379 56.048 -0.036 0.000 1.302 73 H CB -0.380 29.298 29.762 -0.141 0.000 1.373 73 H HN 0.386 nan 8.280 nan 0.000 0.497 74 Y N -1.022 119.292 120.300 0.023 0.000 2.274 74 Y HA -0.193 4.351 4.550 -0.011 0.000 0.290 74 Y C 2.478 178.389 175.900 0.018 0.000 1.145 74 Y CA 1.071 59.156 58.100 -0.025 0.000 1.203 74 Y CB -1.392 37.117 38.460 0.082 0.000 0.984 74 Y HN 0.370 nan 8.280 nan 0.000 0.533 75 Y N 1.211 121.581 120.300 0.115 0.000 2.200 75 Y HA -0.172 4.372 4.550 -0.011 0.000 0.290 75 Y C 2.098 178.002 175.900 0.005 0.000 1.137 75 Y CA 1.707 59.840 58.100 0.054 0.000 1.163 75 Y CB -0.038 38.445 38.460 0.038 0.000 0.988 75 Y HN 0.009 nan 8.280 nan 0.000 0.518 76 E N 0.376 120.563 120.200 -0.021 0.000 2.046 76 E HA -0.139 4.205 4.350 -0.011 0.000 0.190 76 E C 2.022 178.527 176.600 -0.158 0.000 0.982 76 E CA 1.134 57.467 56.400 -0.112 0.000 0.800 76 E CB -0.218 29.488 29.700 0.010 0.000 0.756 76 E HN 0.489 nan 8.360 nan 0.000 0.449 77 K N 0.611 120.904 120.400 -0.178 0.000 2.296 77 K HA -0.080 4.234 4.320 -0.011 0.000 0.200 77 K C -0.028 176.497 176.600 -0.125 0.000 1.048 77 K CA 0.470 56.652 56.287 -0.174 0.000 0.966 77 K CB 0.035 32.356 32.500 -0.298 0.000 0.754 77 K HN -0.018 nan 8.250 nan 0.000 0.466 78 D N 0.932 121.264 120.400 -0.112 0.000 2.735 78 D HA -0.102 4.532 4.640 -0.011 0.000 0.235 78 D C -2.442 173.819 176.300 -0.065 0.000 1.175 78 D CA 0.106 54.052 54.000 -0.090 0.000 0.683 78 D CB -0.109 40.608 40.800 -0.137 0.000 1.008 78 D HN 0.172 nan 8.370 nan 0.000 0.416 79 P HA 0.127 nan 4.420 nan 0.000 0.277 79 P C -0.155 177.100 177.300 -0.075 0.000 1.271 79 P CA -0.640 62.418 63.100 -0.069 0.000 0.795 79 P CB 0.607 32.252 31.700 -0.092 0.000 1.101 80 K N 0.994 121.353 120.400 -0.068 0.000 2.451 80 K HA 0.035 4.348 4.320 -0.011 0.000 0.280 80 K C -0.034 176.477 176.600 -0.147 0.000 1.020 80 K CA 0.112 56.351 56.287 -0.080 0.000 1.008 80 K CB 0.159 32.629 32.500 -0.050 0.000 0.917 80 K HN 0.251 nan 8.250 nan 0.000 0.478 81 R N 3.614 124.010 120.500 -0.172 0.000 2.428 81 R HA 0.360 4.694 4.340 -0.011 0.000 0.294 81 R C -0.556 175.468 176.300 -0.461 0.000 1.000 81 R CA -0.508 55.408 56.100 -0.308 0.000 0.960 81 R CB 0.875 30.990 30.300 -0.308 0.000 1.076 81 R HN 0.491 nan 8.270 nan 0.000 0.475 82 I N 4.162 124.406 120.570 -0.543 0.000 2.354 82 I HA 0.226 4.390 4.170 -0.011 0.000 0.292 82 I C -0.714 175.089 176.117 -0.522 0.000 0.989 82 I CA -0.821 60.117 61.300 -0.604 0.000 1.188 82 I CB 0.947 38.475 38.000 -0.786 0.000 1.342 82 I HN 0.538 nan 8.210 nan 0.000 0.457 83 Y N 5.888 126.147 120.300 -0.068 0.000 2.356 83 Y HA 0.299 4.843 4.550 -0.010 0.000 0.334 83 Y C -0.330 175.671 175.900 0.168 0.000 0.958 83 Y CA -0.732 57.450 58.100 0.137 0.000 1.196 83 Y CB 1.170 39.670 38.460 0.067 0.000 1.137 83 Y HN 0.401 nan 8.280 nan 0.000 0.485 84 Y N 4.556 125.038 120.300 0.305 0.000 2.454 84 Y HA 0.498 5.042 4.550 -0.010 0.000 0.345 84 Y C -1.276 174.886 175.900 0.437 0.000 0.970 84 Y CA -0.946 57.339 58.100 0.308 0.000 1.204 84 Y CB 0.315 38.957 38.460 0.303 0.000 1.122 84 Y HN 0.519 nan 8.280 nan 0.000 0.514 85 L N 4.982 126.256 121.223 0.085 0.000 2.264 85 L HA 0.509 4.842 4.340 -0.011 0.000 0.289 85 L C -0.224 176.671 176.870 0.040 0.000 1.044 85 L CA 0.109 55.060 54.840 0.184 0.000 0.807 85 L CB 1.427 43.559 42.059 0.122 0.000 1.192 85 L HN 0.572 nan 8.230 nan 0.000 0.425 86 S N 2.614 118.423 115.700 0.181 0.000 2.536 86 S HA 0.464 4.928 4.470 -0.011 0.000 0.271 86 S C 0.322 175.017 174.600 0.157 0.000 1.134 86 S CA -0.620 57.582 58.200 0.004 0.000 0.897 86 S CB 1.014 63.978 63.200 -0.393 0.000 1.094 86 S HN 0.491 nan 8.310 nan 0.000 0.473 87 L N 2.483 123.831 121.223 0.207 0.000 2.554 87 L HA 0.360 4.694 4.340 -0.011 0.000 0.226 87 L C 0.208 177.277 176.870 0.332 0.000 1.137 87 L CA 1.200 56.232 54.840 0.319 0.000 0.863 87 L CB -0.818 41.447 42.059 0.343 0.000 0.985 87 L HN 0.701 nan 8.230 nan 0.000 0.451 88 E N -0.838 119.428 120.200 0.110 0.000 2.275 88 E HA 0.383 4.727 4.350 -0.011 0.000 0.270 88 E C -1.523 174.960 176.600 -0.195 0.000 0.882 88 E CA -0.369 56.076 56.400 0.075 0.000 0.758 88 E CB 2.038 31.750 29.700 0.021 0.000 1.195 88 E HN -0.153 nan 8.360 nan 0.000 0.419 89 F N 2.216 122.274 119.950 0.180 0.000 2.716 89 F HA 0.190 4.710 4.527 -0.011 0.000 0.354 89 F C -0.817 175.072 175.800 0.148 0.000 1.168 89 F CA -0.785 57.309 58.000 0.157 0.000 1.045 89 F CB 1.022 40.107 39.000 0.141 0.000 1.311 89 F HN 0.484 nan 8.300 nan 0.000 0.477 90 Y N 5.390 125.764 120.300 0.124 0.000 2.714 90 Y HA 0.253 4.797 4.550 -0.010 0.000 0.333 90 Y C 0.808 176.725 175.900 0.028 0.000 1.220 90 Y CA -1.106 57.016 58.100 0.037 0.000 1.513 90 Y CB 0.391 38.856 38.460 0.008 0.000 1.435 90 Y HN 0.559 nan 8.280 nan 0.000 0.489 91 M N 1.313 121.019 119.600 0.176 0.000 2.388 91 M HA 0.132 4.606 4.480 -0.011 0.000 0.265 91 M C 1.559 177.818 176.300 -0.069 0.000 1.088 91 M CA 0.986 56.308 55.300 0.036 0.000 1.134 91 M CB -1.091 31.513 32.600 0.007 0.000 1.384 91 M HN 0.686 nan 8.290 nan 0.000 0.447 92 G N 1.449 110.208 108.800 -0.069 0.000 2.552 92 G HA2 -0.285 3.669 3.960 -0.011 0.000 0.265 92 G HA3 -0.285 3.669 3.960 -0.011 0.000 0.265 92 G C -0.178 174.662 174.900 -0.100 0.000 1.234 92 G CA -0.241 44.786 45.100 -0.122 0.000 0.944 92 G HN 0.443 nan 8.290 nan 0.000 0.568 93 R N -0.704 119.721 120.500 -0.124 0.000 2.531 93 R HA 0.557 4.891 4.340 -0.011 0.000 0.273 93 R C 1.106 177.284 176.300 -0.203 0.000 1.070 93 R CA 0.323 56.361 56.100 -0.104 0.000 1.112 93 R CB 0.695 30.942 30.300 -0.088 0.000 1.049 93 R HN 0.525 nan 8.270 nan 0.000 0.508 94 T N 1.098 115.487 114.554 -0.275 0.000 2.978 94 T HA -0.008 4.335 4.350 -0.011 0.000 0.248 94 T C 1.436 175.775 174.700 -0.602 0.000 1.018 94 T CA -0.119 61.608 62.100 -0.622 0.000 1.026 94 T CB 0.134 68.242 68.868 -1.267 0.000 1.032 94 T HN 0.321 nan 8.240 nan 0.000 0.485 95 L N 1.900 122.996 121.223 -0.212 0.000 1.976 95 L HA -0.016 4.318 4.340 -0.011 0.000 0.209 95 L C 2.449 179.287 176.870 -0.054 0.000 1.071 95 L CA 2.003 56.866 54.840 0.038 0.000 0.746 95 L CB -0.653 41.625 42.059 0.364 0.000 0.890 95 L HN 0.176 nan 8.230 nan 0.000 0.432 96 Q N -0.762 119.000 119.800 -0.063 0.000 2.079 96 Q HA -0.244 4.089 4.340 -0.011 0.000 0.200 96 Q C 2.226 178.152 176.000 -0.123 0.000 0.974 96 Q CA 1.762 57.520 55.803 -0.074 0.000 0.840 96 Q CB -0.297 28.395 28.738 -0.077 0.000 0.898 96 Q HN 0.704 nan 8.270 nan 0.000 0.430 97 N N -0.968 117.620 118.700 -0.187 0.000 2.149 97 N HA -0.151 4.582 4.740 -0.011 0.000 0.188 97 N C 1.340 176.742 175.510 -0.181 0.000 1.019 97 N CA 1.772 54.702 53.050 -0.200 0.000 0.857 97 N CB 0.076 38.410 38.487 -0.255 0.000 0.997 97 N HN 0.217 nan 8.380 nan 0.000 0.426 98 T N 1.273 115.687 114.554 -0.234 0.000 2.777 98 T HA -0.048 4.296 4.350 -0.011 0.000 0.266 98 T C 2.073 176.710 174.700 -0.106 0.000 1.040 98 T CA 1.038 63.018 62.100 -0.200 0.000 1.141 98 T CB -0.065 68.639 68.868 -0.272 0.000 0.868 98 T HN 0.259 nan 8.240 nan 0.000 0.444 99 M N 0.624 120.178 119.600 -0.078 0.000 2.086 99 M HA -0.102 4.371 4.480 -0.011 0.000 0.261 99 M C 2.490 178.755 176.300 -0.058 0.000 1.067 99 M CA 1.306 56.573 55.300 -0.055 0.000 1.116 99 M CB -0.743 31.839 32.600 -0.030 0.000 1.348 99 M HN 0.098 nan 8.290 nan 0.000 0.407 100 V N 1.101 120.986 119.914 -0.048 0.000 2.252 100 V HA -0.300 3.813 4.120 -0.011 0.000 0.249 100 V C 1.850 177.952 176.094 0.014 0.000 1.056 100 V CA 2.108 64.407 62.300 -0.002 0.000 1.022 100 V CB -0.925 30.899 31.823 0.002 0.000 0.641 100 V HN 0.481 nan 8.190 nan 0.000 0.445 101 N N -0.393 118.302 118.700 -0.008 0.000 2.396 101 N HA -0.048 4.686 4.740 -0.011 0.000 0.180 101 N C 1.124 176.538 175.510 -0.159 0.000 1.028 101 N CA 0.746 53.774 53.050 -0.036 0.000 0.893 101 N CB -0.159 38.318 38.487 -0.017 0.000 0.967 101 N HN 0.287 nan 8.380 nan 0.000 0.440 102 L N -0.158 120.990 121.223 -0.125 0.000 2.607 102 L HA 0.383 4.717 4.340 -0.011 0.000 0.228 102 L C 0.616 177.405 176.870 -0.136 0.000 1.123 102 L CA -0.213 54.554 54.840 -0.123 0.000 0.890 102 L CB -0.860 41.149 42.059 -0.083 0.000 1.103 102 L HN 0.110 nan 8.230 nan 0.000 0.468 103 A N -0.458 122.277 122.820 -0.143 0.000 2.846 103 A HA -0.223 4.090 4.320 -0.011 0.000 0.287 103 A C 1.156 178.684 177.584 -0.094 0.000 1.469 103 A CA 1.096 53.062 52.037 -0.119 0.000 0.757 103 A CB -2.022 16.895 19.000 -0.139 0.000 1.033 103 A HN 0.325 nan 8.150 nan 0.000 0.516 104 L N -1.549 119.618 121.223 -0.093 0.000 2.766 104 L HA 0.154 4.488 4.340 -0.011 0.000 0.242 104 L C 1.957 178.788 176.870 -0.065 0.000 1.136 104 L CA 0.743 55.522 54.840 -0.102 0.000 0.933 104 L CB 0.102 42.069 42.059 -0.154 0.000 1.241 104 L HN 0.664 nan 8.230 nan 0.000 0.522 105 E N 0.721 120.893 120.200 -0.047 0.000 2.058 105 E HA -0.238 4.106 4.350 -0.011 0.000 0.194 105 E C 1.671 178.255 176.600 -0.026 0.000 0.997 105 E CA 1.434 57.817 56.400 -0.029 0.000 0.801 105 E CB 0.263 29.949 29.700 -0.023 0.000 0.746 105 E HN 0.393 nan 8.360 nan 0.000 0.450 106 N N 0.028 118.710 118.700 -0.030 0.000 2.188 106 N HA -0.109 4.624 4.740 -0.011 0.000 0.184 106 N C 1.549 177.042 175.510 -0.029 0.000 1.018 106 N CA 1.206 54.239 53.050 -0.030 0.000 0.858 106 N CB -0.361 38.108 38.487 -0.030 0.000 0.989 106 N HN 0.220 nan 8.380 nan 0.000 0.426 107 A N 0.349 123.151 122.820 -0.031 0.000 1.902 107 A HA -0.143 4.170 4.320 -0.011 0.000 0.217 107 A C 2.645 180.217 177.584 -0.019 0.000 1.181 107 A CA 1.330 53.351 52.037 -0.026 0.000 0.623 107 A CB -0.997 17.980 19.000 -0.038 0.000 0.818 107 A HN 0.437 nan 8.150 nan 0.000 0.443 108 C N -0.896 118.392 119.300 -0.021 0.000 2.440 108 C HA -0.058 4.396 4.460 -0.011 0.000 0.278 108 C C 2.459 177.447 174.990 -0.004 0.000 1.295 108 C CA 1.095 60.110 59.018 -0.005 0.000 1.738 108 C CB -1.109 26.637 27.740 0.010 0.000 1.987 108 C HN 0.709 nan 8.230 nan 0.000 0.492 109 D N 0.749 121.146 120.400 -0.004 0.000 2.097 109 D HA -0.148 4.485 4.640 -0.011 0.000 0.195 109 D C 2.115 178.426 176.300 0.018 0.000 0.989 109 D CA 1.552 55.553 54.000 0.001 0.000 0.827 109 D CB -0.238 40.552 40.800 -0.017 0.000 0.966 109 D HN 0.460 nan 8.370 nan 0.000 0.456 110 E N 0.192 120.395 120.200 0.005 0.000 2.031 110 E HA -0.077 4.267 4.350 -0.011 0.000 0.193 110 E C 1.908 178.544 176.600 0.059 0.000 0.994 110 E CA 1.661 58.082 56.400 0.035 0.000 0.800 110 E CB -0.640 29.064 29.700 0.007 0.000 0.752 110 E HN 0.221 nan 8.360 nan 0.000 0.447 111 A N -0.093 122.729 122.820 0.003 0.000 1.892 111 A HA -0.247 4.067 4.320 -0.011 0.000 0.218 111 A C 2.517 180.027 177.584 -0.124 0.000 1.188 111 A CA 3.120 55.131 52.037 -0.043 0.000 0.631 111 A CB -1.569 17.407 19.000 -0.040 0.000 0.822 111 A HN 0.537 nan 8.150 nan 0.000 0.447 112 T N -3.614 110.860 114.554 -0.134 0.000 2.821 112 T HA -0.226 4.118 4.350 -0.011 0.000 0.267 112 T C 1.851 176.468 174.700 -0.137 0.000 1.046 112 T CA 1.540 63.504 62.100 -0.227 0.000 1.139 112 T CB -0.645 68.130 68.868 -0.155 0.000 0.871 112 T HN 0.474 nan 8.240 nan 0.000 0.454 113 Y N 2.334 122.553 120.300 -0.134 0.000 2.114 113 Y HA -0.170 4.374 4.550 -0.010 0.000 0.282 113 Y C 2.642 178.480 175.900 -0.104 0.000 1.165 113 Y CA 1.759 59.799 58.100 -0.100 0.000 1.148 113 Y CB -0.560 37.860 38.460 -0.066 0.000 0.972 113 Y HN 0.262 nan 8.280 nan 0.000 0.504 114 Q N -0.280 119.455 119.800 -0.109 0.000 2.291 114 Q HA -0.106 4.228 4.340 -0.011 0.000 0.205 114 Q C 1.795 177.663 176.000 -0.219 0.000 0.970 114 Q CA 1.309 57.008 55.803 -0.173 0.000 0.876 114 Q CB -0.098 28.613 28.738 -0.045 0.000 0.935 114 Q HN 0.526 nan 8.270 nan 0.000 0.455 115 L N -0.862 120.210 121.223 -0.251 0.000 2.591 115 L HA 0.182 4.515 4.340 -0.011 0.000 0.228 115 L C 0.937 177.638 176.870 -0.282 0.000 1.133 115 L CA 0.232 54.909 54.840 -0.272 0.000 0.880 115 L CB 0.118 41.936 42.059 -0.402 0.000 1.033 115 L HN 0.308 nan 8.230 nan 0.000 0.450 116 G N 0.739 109.358 108.800 -0.302 0.000 2.149 116 G HA2 -0.247 3.707 3.960 -0.011 0.000 0.235 116 G HA3 -0.247 3.707 3.960 -0.011 0.000 0.235 116 G C -0.165 174.599 174.900 -0.227 0.000 1.018 116 G CA -0.105 44.833 45.100 -0.270 0.000 0.728 116 G HN 0.238 nan 8.290 nan 0.000 0.508 117 L N -0.330 120.756 121.223 -0.230 0.000 2.341 117 L HA 0.637 4.970 4.340 -0.011 0.000 0.267 117 L C -0.639 176.197 176.870 -0.058 0.000 1.009 117 L CA -1.200 53.539 54.840 -0.168 0.000 0.819 117 L CB 1.944 43.843 42.059 -0.268 0.000 1.323 117 L HN 0.084 nan 8.230 nan 0.000 0.425 118 D N 1.862 122.260 120.400 -0.003 0.000 2.373 118 D HA 0.207 4.841 4.640 -0.011 0.000 0.227 118 D C 0.590 176.919 176.300 0.049 0.000 1.091 118 D CA -0.280 53.745 54.000 0.042 0.000 0.840 118 D CB 1.573 42.403 40.800 0.050 0.000 1.060 118 D HN 0.510 nan 8.370 nan 0.000 0.502 119 M N 3.098 122.728 119.600 0.050 0.000 2.159 119 M HA -0.137 4.337 4.480 -0.011 0.000 0.263 119 M C 1.285 177.626 176.300 0.068 0.000 1.063 119 M CA 1.547 56.884 55.300 0.062 0.000 1.110 119 M CB 0.198 32.827 32.600 0.048 0.000 1.374 119 M HN 0.428 nan 8.290 nan 0.000 0.411 120 E N -0.263 119.969 120.200 0.053 0.000 2.153 120 E HA -0.251 4.093 4.350 -0.011 0.000 0.194 120 E C 1.830 178.461 176.600 0.052 0.000 0.988 120 E CA 1.308 57.736 56.400 0.047 0.000 0.811 120 E CB -0.160 29.564 29.700 0.040 0.000 0.746 120 E HN 0.643 nan 8.360 nan 0.000 0.466 121 E N 0.513 120.748 120.200 0.060 0.000 2.072 121 E HA -0.187 4.157 4.350 -0.011 0.000 0.191 121 E C 1.897 178.538 176.600 0.069 0.000 0.985 121 E CA 0.536 56.973 56.400 0.061 0.000 0.801 121 E CB 0.186 29.925 29.700 0.064 0.000 0.750 121 E HN 0.084 nan 8.360 nan 0.000 0.452 122 L N 1.537 122.822 121.223 0.103 0.000 2.083 122 L HA -0.141 4.193 4.340 -0.011 0.000 0.209 122 L C 2.092 179.020 176.870 0.098 0.000 1.083 122 L CA 1.646 56.580 54.840 0.156 0.000 0.752 122 L CB -0.770 41.430 42.059 0.236 0.000 0.899 122 L HN 0.151 nan 8.230 nan 0.000 0.433 123 E N -0.679 119.568 120.200 0.078 0.000 2.118 123 E HA -0.207 4.136 4.350 -0.011 0.000 0.195 123 E C 1.847 178.405 176.600 -0.070 0.000 0.992 123 E CA 0.897 57.313 56.400 0.028 0.000 0.804 123 E CB 0.012 29.732 29.700 0.034 0.000 0.741 123 E HN 0.400 nan 8.360 nan 0.000 0.458 124 E N 0.204 120.378 120.200 -0.044 0.000 2.409 124 E HA -0.121 4.222 4.350 -0.011 0.000 0.198 124 E C 1.842 178.372 176.600 -0.118 0.000 1.024 124 E CA 0.561 56.934 56.400 -0.046 0.000 0.861 124 E CB 0.017 29.726 29.700 0.015 0.000 0.788 124 E HN 0.404 nan 8.360 nan 0.000 0.521 125 I N 0.837 121.271 120.570 -0.227 0.000 2.617 125 I HA -0.113 4.051 4.170 -0.011 0.000 0.256 125 I C 1.410 177.216 176.117 -0.519 0.000 1.167 125 I CA 0.287 61.385 61.300 -0.337 0.000 1.469 125 I CB 0.083 37.885 38.000 -0.330 0.000 1.098 125 I HN -0.025 nan 8.210 nan 0.000 0.436 126 E N 2.657 122.428 120.200 -0.714 0.000 2.414 126 E HA -0.035 4.309 4.350 -0.011 0.000 0.263 126 E C -0.258 176.247 176.600 -0.158 0.000 1.000 126 E CA -0.249 55.801 56.400 -0.585 0.000 0.914 126 E CB 0.614 30.082 29.700 -0.388 0.000 0.948 126 E HN 0.095 nan 8.360 nan 0.000 0.444 127 E N 3.459 123.665 120.200 0.009 0.000 2.354 127 E HA 0.058 4.402 4.350 -0.011 0.000 0.269 127 E C -0.754 175.940 176.600 0.157 0.000 1.036 127 E CA -0.240 56.245 56.400 0.143 0.000 0.876 127 E CB 0.689 30.569 29.700 0.300 0.000 1.009 127 E HN 0.484 nan 8.360 nan 0.000 0.416 128 D N 0.894 121.354 120.400 0.101 0.000 2.443 128 D HA 0.120 4.754 4.640 -0.011 0.000 0.239 128 D C -0.274 176.047 176.300 0.034 0.000 1.136 128 D CA 0.248 54.277 54.000 0.048 0.000 0.879 128 D CB 0.541 41.349 40.800 0.013 0.000 1.195 128 D HN 0.382 nan 8.370 nan 0.000 0.443 129 A N 2.281 125.065 122.820 -0.061 0.000 2.666 129 A HA 0.479 4.793 4.320 -0.011 0.000 0.312 129 A C 1.013 178.419 177.584 -0.297 0.000 1.471 129 A CA -0.406 51.384 52.037 -0.412 0.000 1.134 129 A CB -0.219 18.609 19.000 -0.288 0.000 1.129 129 A HN 0.524 nan 8.150 nan 0.000 0.539 130 G N 2.091 110.680 108.800 -0.351 0.000 3.741 130 G HA2 0.414 4.368 3.960 -0.011 0.000 0.263 130 G HA3 0.414 4.368 3.960 -0.011 0.000 0.263 130 G C 0.308 175.063 174.900 -0.242 0.000 1.175 130 G CA -0.292 44.745 45.100 -0.104 0.000 1.642 130 G HN 0.693 nan 8.290 nan 0.000 0.644 131 L N 1.238 122.354 121.223 -0.178 0.000 2.862 131 L HA 0.394 4.728 4.340 -0.011 0.000 0.240 131 L C 1.070 177.903 176.870 -0.060 0.000 1.283 131 L CA -0.203 54.606 54.840 -0.051 0.000 1.117 131 L CB -0.343 41.791 42.059 0.126 0.000 1.444 131 L HN 0.322 nan 8.230 nan 0.000 0.456 132 G N -1.302 107.251 108.800 -0.412 0.000 2.608 132 G HA2 0.185 4.139 3.960 -0.011 0.000 0.291 132 G HA3 0.185 4.139 3.960 -0.011 0.000 0.291 132 G C -0.177 174.194 174.900 -0.883 0.000 1.425 132 G CA -0.450 44.340 45.100 -0.517 0.000 0.787 132 G HN -0.096 nan 8.290 nan 0.000 0.484 133 N N -0.864 117.533 118.700 -0.505 0.000 2.439 133 N HA 0.233 4.967 4.740 -0.011 0.000 0.176 133 N C 1.113 176.535 175.510 -0.145 0.000 1.029 133 N CA 1.301 54.163 53.050 -0.314 0.000 0.886 133 N CB 1.323 39.764 38.487 -0.077 0.000 1.057 133 N HN 0.872 nan 8.380 nan 0.000 0.437 134 G N -0.694 108.118 108.800 0.020 0.000 2.623 134 G HA2 0.173 4.127 3.960 -0.011 0.000 0.085 134 G HA3 0.173 4.127 3.960 -0.011 0.000 0.085 134 G C 0.681 175.719 174.900 0.229 0.000 1.116 134 G CA 0.204 45.465 45.100 0.268 0.000 1.200 134 G HN 0.148 nan 8.290 nan 0.000 0.556 135 G N 0.358 109.227 108.800 0.115 0.000 2.421 135 G HA2 -0.028 3.926 3.960 -0.011 0.000 0.216 135 G HA3 -0.028 3.926 3.960 -0.011 0.000 0.216 135 G C 1.899 176.793 174.900 -0.010 0.000 1.171 135 G CA 1.498 46.627 45.100 0.048 0.000 0.775 135 G HN 0.832 nan 8.290 nan 0.000 0.543 136 L N 0.642 121.824 121.223 -0.069 0.000 2.046 136 L HA 0.067 4.401 4.340 -0.011 0.000 0.208 136 L C 2.803 179.592 176.870 -0.135 0.000 1.077 136 L CA 2.038 56.739 54.840 -0.231 0.000 0.747 136 L CB -0.539 41.326 42.059 -0.323 0.000 0.896 136 L HN 0.238 nan 8.230 nan 0.000 0.432 137 G N -0.745 108.037 108.800 -0.030 0.000 2.403 137 G HA2 -0.286 3.667 3.960 -0.011 0.000 0.216 137 G HA3 -0.286 3.667 3.960 -0.011 0.000 0.216 137 G C 1.632 176.605 174.900 0.122 0.000 1.154 137 G CA 0.651 45.761 45.100 0.017 0.000 0.784 137 G HN 0.295 nan 8.290 nan 0.000 0.538 138 R N 0.026 120.639 120.500 0.188 0.000 2.090 138 R HA 0.129 4.463 4.340 -0.011 0.000 0.228 138 R C 2.313 178.620 176.300 0.012 0.000 1.110 138 R CA 0.795 56.974 56.100 0.131 0.000 0.973 138 R CB -0.924 29.421 30.300 0.074 0.000 0.869 138 R HN 0.316 nan 8.270 nan 0.000 0.440 139 L N 0.302 121.464 121.223 -0.102 0.000 2.012 139 L HA -0.099 4.234 4.340 -0.011 0.000 0.210 139 L C 2.137 178.711 176.870 -0.493 0.000 1.073 139 L CA 2.317 56.948 54.840 -0.347 0.000 0.748 139 L CB -0.948 40.874 42.059 -0.394 0.000 0.891 139 L HN 0.278 nan 8.230 nan 0.000 0.431 140 A N -0.709 121.955 122.820 -0.260 0.000 1.917 140 A HA -0.221 4.092 4.320 -0.011 0.000 0.219 140 A C 2.430 180.060 177.584 0.076 0.000 1.182 140 A CA 2.164 54.122 52.037 -0.131 0.000 0.633 140 A CB -1.210 17.685 19.000 -0.175 0.000 0.819 140 A HN 0.600 nan 8.150 nan 0.000 0.448 141 A N -1.191 121.709 122.820 0.134 0.000 1.898 141 A HA -0.136 4.178 4.320 -0.011 0.000 0.216 141 A C 2.317 179.976 177.584 0.126 0.000 1.181 141 A CA 1.605 53.750 52.037 0.180 0.000 0.620 141 A CB -1.249 17.848 19.000 0.161 0.000 0.819 141 A HN 0.609 nan 8.150 nan 0.000 0.442 142 C N -1.391 117.982 119.300 0.121 0.000 2.425 142 C HA -0.065 4.389 4.460 -0.011 0.000 0.277 142 C C 2.424 177.580 174.990 0.277 0.000 1.280 142 C CA 0.590 59.720 59.018 0.188 0.000 1.744 142 C CB -1.630 26.241 27.740 0.218 0.000 1.989 142 C HN 0.602 nan 8.230 nan 0.000 0.491 143 F N 1.216 121.150 119.950 -0.027 0.000 2.134 143 F HA -0.087 4.434 4.527 -0.011 0.000 0.299 143 F C 2.260 178.001 175.800 -0.098 0.000 1.097 143 F CA 1.020 58.950 58.000 -0.116 0.000 1.264 143 F CB -1.413 37.378 39.000 -0.347 0.000 1.001 143 F HN 0.194 nan 8.300 nan 0.000 0.479 144 L N -0.373 120.928 121.223 0.129 0.000 2.042 144 L HA -0.258 4.076 4.340 -0.011 0.000 0.210 144 L C 2.156 179.041 176.870 0.025 0.000 1.076 144 L CA 1.988 56.861 54.840 0.055 0.000 0.749 144 L CB -0.768 41.327 42.059 0.059 0.000 0.893 144 L HN 0.121 nan 8.230 nan 0.000 0.432 145 D N -0.540 119.885 120.400 0.041 0.000 2.097 145 D HA -0.169 4.464 4.640 -0.011 0.000 0.195 145 D C 2.204 178.522 176.300 0.030 0.000 0.989 145 D CA 1.462 55.472 54.000 0.016 0.000 0.827 145 D CB 0.209 41.016 40.800 0.011 0.000 0.966 145 D HN 0.078 nan 8.370 nan 0.000 0.456 146 S N -0.617 115.117 115.700 0.057 0.000 2.368 146 S HA -0.134 4.329 4.470 -0.011 0.000 0.225 146 S C 2.005 176.618 174.600 0.022 0.000 1.030 146 S CA 0.957 59.181 58.200 0.040 0.000 0.999 146 S CB -0.244 62.984 63.200 0.047 0.000 0.844 146 S HN 0.348 nan 8.310 nan 0.000 0.459 147 M N 0.990 120.597 119.600 0.011 0.000 2.159 147 M HA -0.113 4.361 4.480 -0.011 0.000 0.263 147 M C 2.468 178.773 176.300 0.008 0.000 1.063 147 M CA 1.468 56.773 55.300 0.007 0.000 1.110 147 M CB -0.542 32.046 32.600 -0.020 0.000 1.374 147 M HN 0.401 nan 8.290 nan 0.000 0.411 148 A N -0.268 122.554 122.820 0.002 0.000 1.898 148 A HA -0.118 4.196 4.320 -0.011 0.000 0.216 148 A C 2.169 179.770 177.584 0.029 0.000 1.181 148 A CA 2.007 54.049 52.037 0.009 0.000 0.620 148 A CB -1.061 17.928 19.000 -0.019 0.000 0.819 148 A HN 0.423 nan 8.150 nan 0.000 0.442 149 T N 0.245 114.820 114.554 0.035 0.000 2.833 149 T HA -0.006 4.338 4.350 -0.011 0.000 0.269 149 T C 1.301 176.032 174.700 0.052 0.000 1.054 149 T CA 1.131 63.264 62.100 0.056 0.000 1.135 149 T CB -0.265 68.643 68.868 0.066 0.000 0.869 149 T HN 0.339 nan 8.240 nan 0.000 0.466 150 L N 0.420 121.670 121.223 0.044 0.000 2.653 150 L HA 0.311 4.645 4.340 -0.011 0.000 0.231 150 L C 1.638 178.542 176.870 0.056 0.000 1.153 150 L CA -0.099 54.770 54.840 0.047 0.000 0.933 150 L CB -0.320 41.765 42.059 0.044 0.000 1.175 150 L HN 0.387 nan 8.230 nan 0.000 0.473 151 G N 1.021 109.859 108.800 0.063 0.000 2.225 151 G HA2 -0.292 3.662 3.960 -0.011 0.000 0.267 151 G HA3 -0.292 3.662 3.960 -0.011 0.000 0.267 151 G C 0.171 175.127 174.900 0.092 0.000 1.024 151 G CA 0.075 45.232 45.100 0.096 0.000 0.784 151 G HN 0.293 nan 8.290 nan 0.000 0.507 152 L N -0.113 121.132 121.223 0.037 0.000 2.371 152 L HA 0.583 4.917 4.340 -0.011 0.000 0.272 152 L C 1.246 178.003 176.870 -0.188 0.000 1.124 152 L CA -0.284 54.529 54.840 -0.045 0.000 0.816 152 L CB 1.441 43.486 42.059 -0.023 0.000 1.129 152 L HN 0.249 nan 8.230 nan 0.000 0.448 153 A N 3.079 125.643 122.820 -0.427 0.000 2.981 153 A HA 0.556 4.869 4.320 -0.011 0.000 0.280 153 A C 0.288 177.518 177.584 -0.590 0.000 1.743 153 A CA -0.128 51.356 52.037 -0.921 0.000 1.430 153 A CB -0.683 17.644 19.000 -1.121 0.000 1.085 153 A HN 0.706 nan 8.150 nan 0.000 0.597 154 A N 1.661 124.179 122.820 -0.504 0.000 2.350 154 A HA 0.804 5.118 4.320 -0.011 0.000 0.324 154 A C -1.062 176.270 177.584 -0.421 0.000 1.118 154 A CA -0.474 51.349 52.037 -0.356 0.000 0.783 154 A CB 0.860 19.725 19.000 -0.225 0.000 1.236 154 A HN 0.630 nan 8.150 nan 0.000 0.457 155 Y N 0.341 120.580 120.300 -0.103 0.000 2.373 155 Y HA 0.539 5.082 4.550 -0.010 0.000 0.336 155 Y C 0.813 176.798 175.900 0.141 0.000 0.979 155 Y CA -0.577 57.532 58.100 0.015 0.000 1.080 155 Y CB 2.459 41.009 38.460 0.150 0.000 1.190 155 Y HN 0.846 nan 8.280 nan 0.000 0.446 156 G N 2.177 111.066 108.800 0.147 0.000 2.338 156 G HA2 0.457 4.411 3.960 -0.011 0.000 0.298 156 G HA3 0.457 4.411 3.960 -0.011 0.000 0.298 156 G C -1.750 173.169 174.900 0.031 0.000 1.140 156 G CA -0.247 44.978 45.100 0.207 0.000 0.860 156 G HN 0.524 nan 8.290 nan 0.000 0.470 157 Y N 0.970 121.502 120.300 0.387 0.000 2.350 157 Y HA 0.631 5.175 4.550 -0.011 0.000 0.338 157 Y C 0.751 176.953 175.900 0.504 0.000 0.961 157 Y CA 0.186 58.479 58.100 0.321 0.000 1.100 157 Y CB 2.688 41.364 38.460 0.359 0.000 1.179 157 Y HN 0.878 nan 8.280 nan 0.000 0.454 158 G N 2.308 111.428 108.800 0.532 0.000 2.753 158 G HA2 0.591 4.545 3.960 -0.011 0.000 0.303 158 G HA3 0.591 4.545 3.960 -0.011 0.000 0.303 158 G C -1.753 173.388 174.900 0.402 0.000 1.242 158 G CA -0.825 44.621 45.100 0.576 0.000 0.810 158 G HN 0.427 nan 8.290 nan 0.000 0.515 159 I N 0.598 121.304 120.570 0.226 0.000 2.441 159 I HA 0.431 4.594 4.170 -0.011 0.000 0.295 159 I C 0.247 176.280 176.117 -0.140 0.000 0.994 159 I CA -0.722 60.598 61.300 0.033 0.000 1.144 159 I CB 2.212 40.041 38.000 -0.285 0.000 1.314 159 I HN 0.346 nan 8.210 nan 0.000 0.445 160 R N 6.071 126.587 120.500 0.026 0.000 2.419 160 R HA 0.229 4.562 4.340 -0.011 0.000 0.305 160 R C -1.281 175.074 176.300 0.091 0.000 1.242 160 R CA -0.416 55.729 56.100 0.076 0.000 1.105 160 R CB -0.012 30.312 30.300 0.040 0.000 1.116 160 R HN 0.393 nan 8.270 nan 0.000 0.523 161 Y N 1.822 122.289 120.300 0.279 0.000 2.442 161 Y HA -0.032 4.512 4.550 -0.011 0.000 0.330 161 Y C 1.429 177.517 175.900 0.313 0.000 1.129 161 Y CA 0.015 58.269 58.100 0.258 0.000 1.365 161 Y CB 0.855 39.447 38.460 0.220 0.000 1.233 161 Y HN 0.566 nan 8.280 nan 0.000 0.529 162 E N 1.942 122.325 120.200 0.305 0.000 2.150 162 E HA -0.092 4.252 4.350 -0.011 0.000 0.193 162 E C -0.705 175.770 176.600 -0.209 0.000 0.985 162 E CA 0.929 57.303 56.400 -0.044 0.000 0.814 162 E CB 0.100 29.660 29.700 -0.233 0.000 0.752 162 E HN 0.404 nan 8.360 nan 0.000 0.466 163 F N -0.135 120.041 119.950 0.376 0.000 2.477 163 F HA 0.390 4.910 4.527 -0.011 0.000 0.335 163 F C 0.828 176.732 175.800 0.174 0.000 1.130 163 F CA -0.975 57.205 58.000 0.299 0.000 0.948 163 F CB 1.754 40.858 39.000 0.172 0.000 1.154 163 F HN -0.171 nan 8.300 nan 0.000 0.439 164 G N 1.859 110.786 108.800 0.213 0.000 2.504 164 G HA2 0.323 4.277 3.960 -0.011 0.000 0.257 164 G HA3 0.323 4.277 3.960 -0.011 0.000 0.257 164 G C -0.503 174.375 174.900 -0.037 0.000 1.451 164 G CA -0.646 44.427 45.100 -0.045 0.000 1.059 164 G HN 0.538 nan 8.290 nan 0.000 0.550 165 I N 0.999 121.475 120.570 -0.155 0.000 2.683 165 I HA 0.209 4.373 4.170 -0.011 0.000 0.286 165 I C 0.543 176.581 176.117 -0.131 0.000 1.175 165 I CA -1.203 59.974 61.300 -0.205 0.000 1.429 165 I CB -0.373 37.411 38.000 -0.360 0.000 1.371 165 I HN 0.326 nan 8.210 nan 0.000 0.569 166 F N 6.302 126.275 119.950 0.038 0.000 2.628 166 F HA 0.227 4.748 4.527 -0.010 0.000 0.362 166 F C 0.546 176.406 175.800 0.099 0.000 1.148 166 F CA -0.562 57.481 58.000 0.072 0.000 1.352 166 F CB -0.373 38.656 39.000 0.049 0.000 1.081 166 F HN 0.431 nan 8.300 nan 0.000 0.605 167 N N 2.418 121.300 118.700 0.305 0.000 2.497 167 N HA 0.033 4.766 4.740 -0.011 0.000 0.271 167 N C -0.732 175.024 175.510 0.410 0.000 1.142 167 N CA -0.224 52.982 53.050 0.260 0.000 0.965 167 N CB 1.116 39.738 38.487 0.225 0.000 1.077 167 N HN 0.754 nan 8.380 nan 0.000 0.462 168 Q N 2.371 122.384 119.800 0.355 0.000 2.274 168 Q HA 0.202 4.536 4.340 -0.011 0.000 0.256 168 Q C -0.942 175.234 176.000 0.292 0.000 0.927 168 Q CA -0.321 55.726 55.803 0.407 0.000 0.939 168 Q CB 0.768 29.751 28.738 0.409 0.000 1.201 168 Q HN 0.314 nan 8.270 nan 0.000 0.426 169 K N 3.978 124.525 120.400 0.244 0.000 2.259 169 K HA 0.475 4.789 4.320 -0.011 0.000 0.252 169 K C -0.750 175.955 176.600 0.175 0.000 0.936 169 K CA -0.964 55.445 56.287 0.203 0.000 0.810 169 K CB 1.508 34.107 32.500 0.164 0.000 1.143 169 K HN 0.579 nan 8.250 nan 0.000 0.427 170 I N 2.184 122.852 120.570 0.164 0.000 2.330 170 I HA 0.159 4.323 4.170 -0.011 0.000 0.289 170 I C -0.304 175.877 176.117 0.107 0.000 1.001 170 I CA -0.647 60.719 61.300 0.110 0.000 1.193 170 I CB 0.872 38.919 38.000 0.078 0.000 1.345 170 I HN 0.592 nan 8.210 nan 0.000 0.461 171 C N 5.216 124.588 119.300 0.120 0.000 2.344 171 C HA 0.627 5.080 4.460 -0.011 0.000 0.326 171 C C 1.145 176.241 174.990 0.176 0.000 1.201 171 C CA 0.248 59.343 59.018 0.128 0.000 1.410 171 C CB -0.146 27.664 27.740 0.117 0.000 2.070 171 C HN 1.099 nan 8.230 nan 0.000 0.445 172 G N 4.005 112.881 108.800 0.127 0.000 2.225 172 G HA2 0.073 4.027 3.960 -0.011 0.000 0.267 172 G HA3 0.073 4.027 3.960 -0.011 0.000 0.267 172 G C 1.209 176.118 174.900 0.016 0.000 1.024 172 G CA 1.158 46.339 45.100 0.134 0.000 0.784 172 G HN 2.573 nan 8.290 nan 0.000 0.507 173 G N -2.872 105.886 108.800 -0.071 0.000 2.179 173 G HA2 -0.293 3.660 3.960 -0.011 0.000 0.260 173 G HA3 -0.293 3.660 3.960 -0.011 0.000 0.260 173 G C 0.367 175.029 174.900 -0.397 0.000 0.977 173 G CA 0.639 45.575 45.100 -0.273 0.000 0.641 173 G HN 1.200 nan 8.290 nan 0.000 0.533 174 W N 0.928 122.181 121.300 -0.078 0.000 2.496 174 W HA 0.652 5.306 4.660 -0.010 0.000 0.327 174 W C 0.672 177.143 176.519 -0.081 0.000 1.086 174 W CA -0.894 56.399 57.345 -0.088 0.000 1.222 174 W CB 0.833 30.258 29.460 -0.059 0.000 1.304 174 W HN 0.249 nan 8.180 nan 0.000 0.547 175 Q N 3.336 123.233 119.800 0.161 0.000 2.289 175 Q HA 0.168 4.501 4.340 -0.011 0.000 0.273 175 Q C -0.512 175.548 176.000 0.100 0.000 1.029 175 Q CA 0.238 56.108 55.803 0.111 0.000 0.896 175 Q CB 0.502 29.297 28.738 0.095 0.000 1.182 175 Q HN 0.319 nan 8.270 nan 0.000 0.385 176 M N 3.155 122.810 119.600 0.091 0.000 2.528 176 M HA 0.386 4.859 4.480 -0.011 0.000 0.321 176 M C -1.013 175.300 176.300 0.022 0.000 1.153 176 M CA -0.665 54.656 55.300 0.035 0.000 0.951 176 M CB 1.791 34.424 32.600 0.055 0.000 1.705 176 M HN 0.602 nan 8.290 nan 0.000 0.451 177 E N 1.248 121.394 120.200 -0.091 0.000 2.179 177 E HA 0.482 4.826 4.350 -0.011 0.000 0.275 177 E C -0.985 175.616 176.600 0.001 0.000 0.945 177 E CA -0.399 55.917 56.400 -0.141 0.000 0.792 177 E CB 1.773 31.141 29.700 -0.552 0.000 1.125 177 E HN 0.383 nan 8.360 nan 0.000 0.397 178 E N 0.984 121.264 120.200 0.134 0.000 2.266 178 E HA 0.564 4.908 4.350 -0.011 0.000 0.268 178 E C -0.965 175.736 176.600 0.168 0.000 0.879 178 E CA -1.261 55.211 56.400 0.120 0.000 0.762 178 E CB 1.962 31.744 29.700 0.137 0.000 1.199 178 E HN 0.586 nan 8.360 nan 0.000 0.422 179 A N 2.107 124.987 122.820 0.100 0.000 2.546 179 A HA -0.031 4.283 4.320 -0.011 0.000 0.243 179 A C 0.035 177.799 177.584 0.300 0.000 1.063 179 A CA 0.203 52.313 52.037 0.123 0.000 0.757 179 A CB -0.051 18.900 19.000 -0.082 0.000 0.991 179 A HN 0.594 nan 8.150 nan 0.000 0.503 180 D N 1.790 122.436 120.400 0.410 0.000 2.522 180 D HA 0.185 4.818 4.640 -0.011 0.000 0.218 180 D C -0.384 176.244 176.300 0.546 0.000 1.149 180 D CA -0.197 54.046 54.000 0.405 0.000 0.981 180 D CB 0.291 41.266 40.800 0.292 0.000 1.041 180 D HN 0.383 nan 8.370 nan 0.000 0.518 181 D N 3.644 124.324 120.400 0.466 0.000 2.801 181 D HA -0.030 4.604 4.640 -0.011 0.000 0.232 181 D C 1.145 177.571 176.300 0.210 0.000 1.128 181 D CA -0.537 53.646 54.000 0.305 0.000 1.003 181 D CB -0.200 40.778 40.800 0.297 0.000 1.110 181 D HN 0.558 nan 8.370 nan 0.000 0.477 182 W N 1.663 122.990 121.300 0.046 0.000 2.525 182 W HA -0.040 4.614 4.660 -0.010 0.000 0.259 182 W C 0.128 176.697 176.519 0.083 0.000 1.253 182 W CA 0.108 57.505 57.345 0.087 0.000 1.262 182 W CB -0.721 28.795 29.460 0.092 0.000 1.122 182 W HN 0.176 nan 8.180 nan 0.000 0.607 183 L N 0.985 121.847 121.223 -0.602 0.000 2.607 183 L HA 0.184 4.517 4.340 -0.011 0.000 0.228 183 L C 2.773 179.476 176.870 -0.278 0.000 1.123 183 L CA 0.005 54.466 54.840 -0.631 0.000 0.890 183 L CB -0.622 40.933 42.059 -0.840 0.000 1.103 183 L HN -0.110 nan 8.230 nan 0.000 0.468 184 R N 0.550 120.943 120.500 -0.178 0.000 2.096 184 R HA -0.228 4.106 4.340 -0.011 0.000 0.240 184 R C 1.361 177.489 176.300 -0.286 0.000 1.139 184 R CA 2.056 58.013 56.100 -0.238 0.000 0.952 184 R CB -0.193 29.939 30.300 -0.280 0.000 0.854 184 R HN 0.310 nan 8.270 nan 0.000 0.436 185 Y N -0.282 120.028 120.300 0.018 0.000 2.461 185 Y HA 0.313 4.857 4.550 -0.010 0.000 0.277 185 Y C 0.878 176.761 175.900 -0.029 0.000 1.182 185 Y CA 0.469 58.589 58.100 0.033 0.000 1.276 185 Y CB 0.765 39.356 38.460 0.219 0.000 1.087 185 Y HN 0.438 nan 8.280 nan 0.000 0.519 186 G N 1.332 110.169 108.800 0.061 0.000 2.699 186 G HA2 -0.224 3.730 3.960 -0.011 0.000 0.686 186 G HA3 -0.224 3.730 3.960 -0.011 0.000 0.686 186 G C -1.211 173.762 174.900 0.122 0.000 1.301 186 G CA -0.738 44.367 45.100 0.009 0.000 0.816 186 G HN 0.272 nan 8.290 nan 0.000 0.595 187 N N 1.074 119.797 118.700 0.038 0.000 2.573 187 N HA 0.561 5.294 4.740 -0.011 0.000 0.262 187 N C -0.737 174.781 175.510 0.012 0.000 1.029 187 N CA -1.907 51.185 53.050 0.069 0.000 0.882 187 N CB 2.070 40.533 38.487 -0.039 0.000 1.204 187 N HN 0.237 nan 8.380 nan 0.000 0.519 188 P HA 0.010 nan 4.420 nan 0.000 0.226 188 P C 0.636 177.647 177.300 -0.481 0.000 1.153 188 P CA 0.762 63.565 63.100 -0.496 0.000 0.777 188 P CB 0.120 31.198 31.700 -1.037 0.000 0.794 189 W N 1.916 123.230 121.300 0.024 0.000 2.523 189 W HA 0.040 4.694 4.660 -0.010 0.000 0.278 189 W C 1.328 177.894 176.519 0.078 0.000 1.236 189 W CA -0.285 57.071 57.345 0.019 0.000 1.306 189 W CB -0.381 29.088 29.460 0.016 0.000 1.101 189 W HN -0.002 nan 8.180 nan 0.000 0.577 190 E N 1.801 122.182 120.200 0.302 0.000 2.349 190 E HA 0.297 4.641 4.350 -0.011 0.000 0.265 190 E C -0.608 176.166 176.600 0.291 0.000 1.064 190 E CA -0.685 55.902 56.400 0.311 0.000 0.886 190 E CB 1.245 31.137 29.700 0.319 0.000 1.036 190 E HN -0.312 nan 8.360 nan 0.000 0.413 191 K N 1.538 122.124 120.400 0.309 0.000 2.502 191 K HA 0.416 4.729 4.320 -0.011 0.000 0.254 191 K C -1.167 175.464 176.600 0.053 0.000 0.947 191 K CA -0.490 55.909 56.287 0.187 0.000 0.834 191 K CB 1.580 34.187 32.500 0.177 0.000 1.112 191 K HN 0.665 nan 8.250 nan 0.000 0.427 192 A N 4.256 127.017 122.820 -0.097 0.000 2.511 192 A HA 0.296 4.609 4.320 -0.011 0.000 0.242 192 A C -0.254 177.133 177.584 -0.328 0.000 1.069 192 A CA -0.041 51.678 52.037 -0.530 0.000 0.763 192 A CB 0.186 18.857 19.000 -0.548 0.000 1.001 192 A HN 0.673 nan 8.150 nan 0.000 0.498 193 R N 3.309 123.602 120.500 -0.345 0.000 2.983 193 R HA 0.202 4.536 4.340 -0.011 0.000 0.300 193 R C -2.319 173.831 176.300 -0.250 0.000 1.367 193 R CA -1.743 54.216 56.100 -0.235 0.000 1.564 193 R CB 0.586 30.880 30.300 -0.010 0.000 1.314 193 R HN 0.572 nan 8.270 nan 0.000 0.622 194 P HA -0.190 nan 4.420 nan 0.000 0.221 194 P C 0.948 178.147 177.300 -0.169 0.000 1.145 194 P CA 1.105 64.109 63.100 -0.160 0.000 0.795 194 P CB 0.365 31.984 31.700 -0.136 0.000 0.775 195 E N -0.195 119.797 120.200 -0.348 0.000 2.265 195 E HA -0.150 4.194 4.350 -0.011 0.000 0.196 195 E C 0.579 176.973 176.600 -0.343 0.000 0.996 195 E CA 0.972 57.111 56.400 -0.434 0.000 0.832 195 E CB -0.852 28.449 29.700 -0.665 0.000 0.756 195 E HN 0.275 nan 8.360 nan 0.000 0.491 196 F N 1.849 121.815 119.950 0.028 0.000 2.684 196 F HA 0.286 4.807 4.527 -0.011 0.000 0.298 196 F C 0.412 176.308 175.800 0.161 0.000 1.120 196 F CA -0.732 57.316 58.000 0.079 0.000 1.332 196 F CB -0.090 38.952 39.000 0.070 0.000 0.986 196 F HN -0.303 nan 8.300 nan 0.000 0.524 197 T N 2.969 117.665 114.554 0.237 0.000 2.928 197 T HA 0.284 4.628 4.350 -0.011 0.000 0.305 197 T C -0.208 174.595 174.700 0.171 0.000 1.035 197 T CA 0.389 62.624 62.100 0.224 0.000 1.145 197 T CB 0.680 69.627 68.868 0.132 0.000 0.963 197 T HN -0.153 nan 8.240 nan 0.000 0.545 198 L N 5.503 126.793 121.223 0.112 0.000 2.401 198 L HA 0.561 4.895 4.340 -0.011 0.000 0.266 198 L C -2.249 174.575 176.870 -0.077 0.000 0.991 198 L CA -2.650 52.183 54.840 -0.011 0.000 0.818 198 L CB 1.959 43.938 42.059 -0.132 0.000 1.321 198 L HN 0.385 nan 8.230 nan 0.000 0.413 199 P HA 0.387 nan 4.420 nan 0.000 0.284 199 P C -1.161 176.011 177.300 -0.214 0.000 1.253 199 P CA -0.368 62.651 63.100 -0.135 0.000 0.800 199 P CB 1.649 33.266 31.700 -0.138 0.000 0.961 200 V N 3.592 123.364 119.914 -0.237 0.000 2.656 200 V HA 0.330 4.444 4.120 -0.011 0.000 0.307 200 V C 0.092 175.976 176.094 -0.349 0.000 1.051 200 V CA -0.613 61.535 62.300 -0.253 0.000 0.893 200 V CB 1.518 33.239 31.823 -0.169 0.000 0.999 200 V HN 0.601 nan 8.190 nan 0.000 0.426 201 H N 3.731 122.656 119.070 -0.241 0.000 2.472 201 H HA 0.633 5.182 4.556 -0.011 0.000 0.338 201 H C -1.309 173.769 175.328 -0.417 0.000 1.133 201 H CA -0.130 55.705 56.048 -0.354 0.000 1.216 201 H CB 1.904 31.218 29.762 -0.747 0.000 1.497 201 H HN 0.487 nan 8.280 nan 0.000 0.500 202 F N 0.472 120.499 119.950 0.130 0.000 2.613 202 F HA 0.215 4.735 4.527 -0.011 0.000 0.314 202 F C -0.279 175.660 175.800 0.231 0.000 1.075 202 F CA -0.540 57.545 58.000 0.142 0.000 0.945 202 F CB 1.123 40.122 39.000 -0.002 0.000 1.310 202 F HN 0.559 nan 8.300 nan 0.000 0.467 203 Y N 0.174 120.779 120.300 0.508 0.000 2.904 203 Y HA 0.008 4.551 4.550 -0.010 0.000 0.466 203 Y C 1.318 177.474 175.900 0.426 0.000 1.202 203 Y CA 0.632 58.947 58.100 0.358 0.000 2.492 203 Y CB -1.889 36.710 38.460 0.233 0.000 1.237 203 Y HN 1.302 nan 8.280 nan 0.000 0.633 204 G N 0.632 109.709 108.800 0.461 0.000 2.593 204 G HA2 0.122 4.076 3.960 -0.011 0.000 0.237 204 G HA3 0.122 4.076 3.960 -0.011 0.000 0.237 204 G C -0.587 174.529 174.900 0.360 0.000 1.312 204 G CA 0.944 46.240 45.100 0.328 0.000 0.896 204 G HN 1.394 nan 8.290 nan 0.000 0.574 205 R N -2.581 118.130 120.500 0.352 0.000 2.733 205 R HA 0.700 5.034 4.340 -0.011 0.000 0.272 205 R C -1.404 175.038 176.300 0.237 0.000 1.029 205 R CA -0.980 55.266 56.100 0.243 0.000 0.888 205 R CB 1.294 31.682 30.300 0.147 0.000 1.251 205 R HN 0.916 nan 8.270 nan 0.000 0.464 206 V N 0.905 120.873 119.914 0.090 0.000 2.394 206 V HA 0.364 4.477 4.120 -0.011 0.000 0.282 206 V C -0.180 175.859 176.094 -0.092 0.000 1.031 206 V CA -0.527 61.755 62.300 -0.031 0.000 0.881 206 V CB 1.293 33.027 31.823 -0.148 0.000 0.982 206 V HN 0.713 nan 8.190 nan 0.000 0.451 207 E N 2.835 122.958 120.200 -0.127 0.000 2.179 207 E HA 0.410 4.754 4.350 -0.011 0.000 0.275 207 E C -1.014 175.445 176.600 -0.235 0.000 0.945 207 E CA -0.725 55.615 56.400 -0.100 0.000 0.792 207 E CB 0.960 30.647 29.700 -0.021 0.000 1.125 207 E HN 0.696 nan 8.360 nan 0.000 0.397 208 H N 2.352 121.437 119.070 0.024 0.000 2.556 208 H HA 0.195 4.745 4.556 -0.011 0.000 0.310 208 H C 0.084 175.421 175.328 0.015 0.000 1.057 208 H CA -0.290 55.768 56.048 0.016 0.000 1.264 208 H CB 1.252 31.019 29.762 0.009 0.000 1.404 208 H HN 0.556 nan 8.280 nan 0.000 0.462 209 T N -0.979 113.635 114.554 0.100 0.000 2.937 209 T HA 0.137 4.481 4.350 -0.011 0.000 0.283 209 T C 1.528 176.268 174.700 0.066 0.000 1.012 209 T CA -0.414 61.725 62.100 0.066 0.000 0.997 209 T CB 1.184 70.074 68.868 0.036 0.000 1.136 209 T HN 0.453 nan 8.240 nan 0.000 0.551 210 S N -0.234 115.493 115.700 0.044 0.000 2.507 210 S HA -0.111 4.353 4.470 -0.011 0.000 0.235 210 S C 1.162 175.782 174.600 0.034 0.000 0.988 210 S CA 0.583 58.804 58.200 0.035 0.000 0.944 210 S CB -0.767 62.448 63.200 0.025 0.000 0.762 210 S HN 0.883 nan 8.310 nan 0.000 0.526 211 Q N 0.630 120.451 119.800 0.035 0.000 2.263 211 Q HA 0.585 4.919 4.340 -0.011 0.000 0.337 211 Q C 0.625 176.646 176.000 0.036 0.000 0.906 211 Q CA -0.409 55.413 55.803 0.031 0.000 1.124 211 Q CB 0.040 28.792 28.738 0.023 0.000 1.255 211 Q HN 0.477 nan 8.270 nan 0.000 0.435 212 G N 0.769 109.602 108.800 0.054 0.000 2.685 212 G HA2 0.008 3.962 3.960 -0.011 0.000 0.387 212 G HA3 0.008 3.962 3.960 -0.011 0.000 0.387 212 G C -0.637 174.295 174.900 0.053 0.000 1.324 212 G CA -0.634 44.506 45.100 0.067 0.000 0.878 212 G HN 0.728 nan 8.290 nan 0.000 0.527 213 A N 0.027 122.864 122.820 0.028 0.000 2.371 213 A HA 0.690 5.003 4.320 -0.011 0.000 0.257 213 A C 0.495 178.033 177.584 -0.078 0.000 1.089 213 A CA 0.495 52.468 52.037 -0.107 0.000 0.794 213 A CB 0.570 19.482 19.000 -0.146 0.000 1.029 213 A HN 0.751 nan 8.150 nan 0.000 0.488 214 K N 0.833 121.174 120.400 -0.099 0.000 2.443 214 K HA 0.201 4.515 4.320 -0.011 0.000 0.252 214 K C -1.856 174.777 176.600 0.055 0.000 0.933 214 K CA -0.369 55.908 56.287 -0.017 0.000 0.792 214 K CB 2.037 34.528 32.500 -0.015 0.000 1.185 214 K HN 0.749 nan 8.250 nan 0.000 0.425 215 W N 5.602 126.820 121.300 -0.137 0.000 2.311 215 W HA 0.340 4.993 4.660 -0.011 0.000 0.317 215 W C -0.679 175.779 176.519 -0.101 0.000 1.065 215 W CA -0.777 56.494 57.345 -0.123 0.000 1.364 215 W CB 0.110 29.483 29.460 -0.144 0.000 1.233 215 W HN 0.286 nan 8.180 nan 0.000 0.409 216 V N 2.699 122.662 119.914 0.081 0.000 3.113 216 V HA 0.614 4.728 4.120 -0.011 0.000 0.316 216 V C -0.139 175.932 176.094 -0.039 0.000 1.125 216 V CA -0.944 61.330 62.300 -0.043 0.000 1.026 216 V CB 1.943 33.770 31.823 0.006 0.000 1.080 216 V HN 0.449 nan 8.190 nan 0.000 0.444 217 D N 0.150 120.529 120.400 -0.035 0.000 2.772 217 D HA -0.139 4.495 4.640 -0.011 0.000 0.233 217 D C 0.554 176.860 176.300 0.010 0.000 1.143 217 D CA 1.518 55.520 54.000 0.004 0.000 0.700 217 D CB -1.654 39.170 40.800 0.040 0.000 1.076 217 D HN 1.300 nan 8.370 nan 0.000 0.430 218 T N -2.819 111.697 114.554 -0.063 0.000 2.849 218 T HA 0.480 4.824 4.350 -0.011 0.000 0.284 218 T C 0.497 175.251 174.700 0.091 0.000 1.004 218 T CA -0.753 61.326 62.100 -0.035 0.000 1.021 218 T CB 1.839 70.540 68.868 -0.278 0.000 1.013 218 T HN 0.043 nan 8.240 nan 0.000 0.527 219 Q N 0.476 120.397 119.800 0.202 0.000 2.235 219 Q HA 0.571 4.904 4.340 -0.011 0.000 0.250 219 Q C -0.938 175.180 176.000 0.198 0.000 0.909 219 Q CA -0.880 55.063 55.803 0.235 0.000 0.910 219 Q CB 1.828 30.784 28.738 0.364 0.000 1.223 219 Q HN 0.492 nan 8.270 nan 0.000 0.432 220 V N 2.976 122.969 119.914 0.132 0.000 2.435 220 V HA 0.407 4.521 4.120 -0.011 0.000 0.290 220 V C -0.348 175.830 176.094 0.141 0.000 1.030 220 V CA -0.644 61.653 62.300 -0.006 0.000 0.881 220 V CB 1.732 33.494 31.823 -0.101 0.000 0.983 220 V HN 0.493 nan 8.190 nan 0.000 0.445 221 V N 5.903 125.912 119.914 0.158 0.000 2.604 221 V HA 0.487 4.601 4.120 -0.011 0.000 0.305 221 V C -0.144 176.049 176.094 0.165 0.000 1.043 221 V CA -0.667 61.748 62.300 0.192 0.000 0.888 221 V CB 1.958 33.967 31.823 0.311 0.000 0.995 221 V HN 0.635 nan 8.190 nan 0.000 0.429 222 L N 3.511 124.823 121.223 0.148 0.000 2.350 222 L HA 0.715 5.049 4.340 -0.011 0.000 0.275 222 L C 0.464 177.509 176.870 0.292 0.000 1.099 222 L CA -0.292 54.638 54.840 0.149 0.000 0.808 222 L CB 1.247 43.373 42.059 0.112 0.000 1.149 222 L HN 0.760 nan 8.230 nan 0.000 0.442 223 A N 5.191 128.126 122.820 0.191 0.000 2.267 223 A HA 0.577 4.891 4.320 -0.011 0.000 0.315 223 A C -0.472 177.372 177.584 0.433 0.000 1.297 223 A CA -0.480 51.699 52.037 0.236 0.000 0.865 223 A CB 0.922 19.609 19.000 -0.522 0.000 1.165 223 A HN 0.789 nan 8.150 nan 0.000 0.513 224 M N 5.922 125.836 119.600 0.525 0.000 2.129 224 M HA 0.481 4.954 4.480 -0.011 0.000 0.348 224 M C -2.637 173.925 176.300 0.438 0.000 1.116 224 M CA -2.105 53.445 55.300 0.417 0.000 1.022 224 M CB 1.998 34.760 32.600 0.269 0.000 1.599 224 M HN 0.335 nan 8.290 nan 0.000 0.449 225 P HA 0.278 nan 4.420 nan 0.000 0.286 225 P C -1.953 175.285 177.300 -0.104 0.000 1.261 225 P CA -0.024 62.994 63.100 -0.136 0.000 0.821 225 P CB 0.546 31.974 31.700 -0.454 0.000 1.013 226 Y N 0.453 120.700 120.300 -0.089 0.000 2.350 226 Y HA 0.347 4.891 4.550 -0.011 0.000 0.338 226 Y C 0.193 176.086 175.900 -0.011 0.000 0.961 226 Y CA -0.296 57.804 58.100 -0.001 0.000 1.100 226 Y CB 1.386 39.875 38.460 0.049 0.000 1.179 226 Y HN 0.216 nan 8.280 nan 0.000 0.454 227 D N 1.829 122.343 120.400 0.190 0.000 2.193 227 D HA 0.415 5.049 4.640 -0.011 0.000 0.244 227 D C -0.640 175.889 176.300 0.382 0.000 1.064 227 D CA -0.257 53.892 54.000 0.248 0.000 0.845 227 D CB 1.780 42.748 40.800 0.281 0.000 1.148 227 D HN 0.376 nan 8.370 nan 0.000 0.464 228 T N 3.119 117.810 114.554 0.229 0.000 2.824 228 T HA 0.472 4.815 4.350 -0.011 0.000 0.282 228 T C -2.521 172.040 174.700 -0.231 0.000 0.993 228 T CA -1.484 60.654 62.100 0.063 0.000 0.967 228 T CB 2.021 70.913 68.868 0.040 0.000 0.960 228 T HN 0.166 nan 8.240 nan 0.000 0.441 229 P HA 0.300 nan 4.420 nan 0.000 0.275 229 P C -0.981 175.991 177.300 -0.546 0.000 1.227 229 P CA -0.383 62.048 63.100 -1.115 0.000 0.781 229 P CB 0.797 31.622 31.700 -1.458 0.000 0.906 230 V N 5.405 125.060 119.914 -0.432 0.000 2.305 230 V HA 0.254 4.368 4.120 -0.011 0.000 0.275 230 V C -2.059 173.904 176.094 -0.219 0.000 1.020 230 V CA -1.931 60.210 62.300 -0.265 0.000 0.811 230 V CB 1.258 32.974 31.823 -0.177 0.000 1.031 230 V HN 0.539 nan 8.190 nan 0.000 0.439 231 P HA 0.260 nan 4.420 nan 0.000 0.281 231 P C 0.388 177.639 177.300 -0.081 0.000 1.252 231 P CA 0.328 63.341 63.100 -0.145 0.000 0.778 231 P CB 1.495 33.106 31.700 -0.148 0.000 0.895 232 G N 2.227 110.998 108.800 -0.048 0.000 2.599 232 G HA2 0.144 4.098 3.960 -0.011 0.000 0.264 232 G HA3 0.144 4.098 3.960 -0.011 0.000 0.264 232 G C -1.181 173.735 174.900 0.026 0.000 1.200 232 G CA -0.577 44.525 45.100 0.002 0.000 0.896 232 G HN 0.508 nan 8.290 nan 0.000 0.536 233 Y N 0.930 121.195 120.300 -0.059 0.000 2.624 233 Y HA 0.242 4.785 4.550 -0.011 0.000 0.354 233 Y C 1.397 177.263 175.900 -0.057 0.000 1.051 233 Y CA -0.111 57.950 58.100 -0.065 0.000 1.377 233 Y CB -0.054 38.365 38.460 -0.068 0.000 1.168 233 Y HN 0.742 nan 8.280 nan 0.000 0.525 234 R N 2.940 123.169 120.500 -0.452 0.000 3.741 234 R HA -0.328 4.006 4.340 -0.011 0.000 0.292 234 R C 0.177 176.352 176.300 -0.209 0.000 1.176 234 R CA 1.382 57.229 56.100 -0.421 0.000 0.794 234 R CB -2.102 27.777 30.300 -0.702 0.000 1.213 234 R HN 0.946 nan 8.270 nan 0.000 0.494 235 N N -0.647 117.980 118.700 -0.122 0.000 2.171 235 N HA 0.035 4.769 4.740 -0.011 0.000 0.212 235 N C -0.061 175.410 175.510 -0.064 0.000 1.184 235 N CA -0.409 52.599 53.050 -0.069 0.000 0.888 235 N CB 0.455 38.927 38.487 -0.025 0.000 1.038 235 N HN 0.088 nan 8.380 nan 0.000 0.517 236 N N -0.172 118.484 118.700 -0.072 0.000 2.753 236 N HA -0.135 4.598 4.740 -0.011 0.000 0.251 236 N C -0.889 174.590 175.510 -0.053 0.000 1.097 236 N CA 0.581 53.596 53.050 -0.059 0.000 0.786 236 N CB -1.351 37.102 38.487 -0.058 0.000 1.137 236 N HN 0.181 nan 8.380 nan 0.000 0.566 237 V N 1.223 121.111 119.914 -0.044 0.000 2.498 237 V HA 0.377 4.491 4.120 -0.011 0.000 0.279 237 V C 0.662 176.736 176.094 -0.034 0.000 1.048 237 V CA -0.371 61.912 62.300 -0.028 0.000 0.967 237 V CB 2.007 33.839 31.823 0.015 0.000 0.988 237 V HN -0.019 nan 8.190 nan 0.000 0.473 238 V N 5.424 125.325 119.914 -0.023 0.000 2.419 238 V HA 0.431 4.545 4.120 -0.011 0.000 0.287 238 V C -0.110 175.989 176.094 0.009 0.000 1.017 238 V CA -0.864 61.393 62.300 -0.071 0.000 0.844 238 V CB 1.474 33.221 31.823 -0.125 0.000 1.011 238 V HN 0.841 nan 8.190 nan 0.000 0.429 239 N N 1.932 120.607 118.700 -0.041 0.000 2.448 239 N HA 0.580 5.313 4.740 -0.011 0.000 0.274 239 N C -0.055 175.450 175.510 -0.008 0.000 1.239 239 N CA -0.300 52.748 53.050 -0.005 0.000 0.982 239 N CB 1.236 39.678 38.487 -0.075 0.000 1.199 239 N HN 0.584 nan 8.380 nan 0.000 0.576 240 T N 0.737 115.293 114.554 0.004 0.000 2.841 240 T HA 0.399 4.743 4.350 -0.011 0.000 0.283 240 T C -0.261 174.415 174.700 -0.039 0.000 1.000 240 T CA -0.513 61.660 62.100 0.120 0.000 0.977 240 T CB 1.095 70.146 68.868 0.305 0.000 0.979 240 T HN 0.297 nan 8.240 nan 0.000 0.446 241 M N 3.745 123.288 119.600 -0.094 0.000 2.101 241 M HA 0.499 4.973 4.480 -0.011 0.000 0.340 241 M C -0.477 175.687 176.300 -0.226 0.000 1.057 241 M CA -0.743 54.413 55.300 -0.240 0.000 0.984 241 M CB 0.690 33.090 32.600 -0.333 0.000 1.560 241 M HN 0.488 nan 8.290 nan 0.000 0.435 242 R N 5.965 126.225 120.500 -0.400 0.000 2.265 242 R HA 0.617 4.951 4.340 -0.011 0.000 0.328 242 R C -1.947 174.080 176.300 -0.454 0.000 0.969 242 R CA -0.416 55.406 56.100 -0.463 0.000 0.832 242 R CB 0.835 30.694 30.300 -0.734 0.000 1.139 242 R HN 0.812 nan 8.270 nan 0.000 0.457 243 L N 5.040 126.099 121.223 -0.274 0.000 2.322 243 L HA 0.510 4.844 4.340 -0.011 0.000 0.281 243 L C -0.830 176.008 176.870 -0.053 0.000 1.014 243 L CA -0.907 53.866 54.840 -0.112 0.000 0.815 243 L CB 1.500 43.578 42.059 0.032 0.000 1.247 243 L HN 0.581 nan 8.230 nan 0.000 0.421 244 W N 1.825 123.256 121.300 0.217 0.000 2.365 244 W HA 0.506 5.160 4.660 -0.010 0.000 0.316 244 W C 0.515 177.269 176.519 0.393 0.000 1.164 244 W CA -0.226 57.270 57.345 0.251 0.000 1.204 244 W CB 1.568 31.038 29.460 0.017 0.000 1.213 244 W HN 0.340 nan 8.180 nan 0.000 0.539 245 S N 1.817 117.932 115.700 0.691 0.000 2.500 245 S HA 0.778 5.242 4.470 -0.011 0.000 0.301 245 S C -0.506 174.433 174.600 0.565 0.000 1.092 245 S CA -0.718 57.791 58.200 0.515 0.000 1.030 245 S CB 0.692 64.136 63.200 0.407 0.000 1.031 245 S HN 0.530 nan 8.310 nan 0.000 0.483 246 A N 4.839 127.825 122.820 0.277 0.000 2.366 246 A HA 0.664 4.978 4.320 -0.011 0.000 0.272 246 A C -0.227 177.416 177.584 0.098 0.000 1.135 246 A CA -0.301 51.793 52.037 0.095 0.000 0.804 246 A CB 0.324 19.111 19.000 -0.356 0.000 1.064 246 A HN 0.684 nan 8.150 nan 0.000 0.499 247 K N 1.174 121.645 120.400 0.119 0.000 2.422 247 K HA 0.600 4.914 4.320 -0.011 0.000 0.251 247 K C -0.469 176.118 176.600 -0.022 0.000 0.933 247 K CA -0.471 55.844 56.287 0.047 0.000 0.798 247 K CB 2.360 34.916 32.500 0.094 0.000 1.238 247 K HN 0.812 nan 8.250 nan 0.000 0.428 248 A N 3.798 126.540 122.820 -0.129 0.000 2.388 248 A HA 0.443 4.757 4.320 -0.011 0.000 0.257 248 A C -2.101 175.459 177.584 -0.041 0.000 1.095 248 A CA -0.990 50.905 52.037 -0.237 0.000 0.791 248 A CB -0.385 18.279 19.000 -0.561 0.000 1.029 248 A HN 0.328 nan 8.150 nan 0.000 0.489 249 P HA 0.113 nan 4.420 nan 0.000 0.272 249 P C 0.115 177.498 177.300 0.138 0.000 1.230 249 P CA -0.381 62.783 63.100 0.107 0.000 0.788 249 P CB 0.534 32.315 31.700 0.135 0.000 0.949 250 N N 0.980 119.743 118.700 0.105 0.000 2.381 250 N HA -0.121 4.612 4.740 -0.011 0.000 0.182 250 N C 0.738 176.322 175.510 0.124 0.000 1.025 250 N CA 1.081 54.193 53.050 0.104 0.000 0.888 250 N CB -0.503 38.029 38.487 0.075 0.000 0.965 250 N HN 0.554 nan 8.380 nan 0.000 0.438 251 D N -0.808 119.665 120.400 0.123 0.000 2.319 251 D HA -0.073 4.561 4.640 -0.011 0.000 0.230 251 D C 0.089 176.459 176.300 0.116 0.000 1.094 251 D CA -0.535 53.527 54.000 0.103 0.000 0.856 251 D CB -1.036 39.806 40.800 0.070 0.000 0.915 251 D HN 0.075 nan 8.370 nan 0.000 0.517 252 F N 1.998 121.962 119.950 0.023 0.000 2.602 252 F HA 0.079 4.600 4.527 -0.010 0.000 0.385 252 F C 0.676 176.481 175.800 0.008 0.000 1.063 252 F CA 0.173 58.184 58.000 0.017 0.000 1.233 252 F CB 0.149 39.158 39.000 0.016 0.000 1.067 252 F HN -0.159 nan 8.300 nan 0.000 0.564 253 N N 2.781 121.079 118.700 -0.670 0.000 2.732 253 N HA -0.272 4.462 4.740 -0.011 0.000 0.250 253 N C -0.829 174.586 175.510 -0.158 0.000 1.097 253 N CA 1.440 54.223 53.050 -0.446 0.000 0.812 253 N CB -1.332 36.918 38.487 -0.395 0.000 1.148 253 N HN 0.556 nan 8.380 nan 0.000 0.572 262 Y N 1.598 121.902 120.300 0.007 0.000 2.128 262 Y HA -0.048 4.496 4.550 -0.010 0.000 0.284 262 Y C 2.715 178.628 175.900 0.021 0.000 1.154 262 Y CA 2.339 60.447 58.100 0.013 0.000 1.149 262 Y CB -0.113 38.355 38.460 0.012 0.000 0.976 262 Y HN 0.202 nan 8.280 nan 0.000 0.505 263 I N 0.501 121.019 120.570 -0.085 0.000 2.127 263 I HA -0.305 3.859 4.170 -0.011 0.000 0.241 263 I C 2.390 178.415 176.117 -0.155 0.000 1.075 263 I CA 1.820 63.017 61.300 -0.172 0.000 1.334 263 I CB -1.466 36.533 38.000 -0.002 0.000 1.040 263 I HN 0.336 nan 8.210 nan 0.000 0.405 264 Q N 1.078 120.836 119.800 -0.071 0.000 2.124 264 Q HA -0.116 4.218 4.340 -0.011 0.000 0.202 264 Q C 2.227 178.199 176.000 -0.046 0.000 0.977 264 Q CA 2.200 57.978 55.803 -0.042 0.000 0.850 264 Q CB -0.351 28.378 28.738 -0.015 0.000 0.901 264 Q HN 0.480 nan 8.270 nan 0.000 0.429 265 A N -0.801 121.975 122.820 -0.073 0.000 1.902 265 A HA -0.138 4.176 4.320 -0.011 0.000 0.217 265 A C 2.247 179.819 177.584 -0.021 0.000 1.181 265 A CA 1.673 53.681 52.037 -0.047 0.000 0.623 265 A CB -0.793 18.173 19.000 -0.057 0.000 0.818 265 A HN 0.265 nan 8.150 nan 0.000 0.443 266 V N 0.240 120.057 119.914 -0.161 0.000 2.307 266 V HA -0.245 3.869 4.120 -0.011 0.000 0.245 266 V C 2.534 178.600 176.094 -0.046 0.000 1.045 266 V CA 1.883 64.103 62.300 -0.133 0.000 1.024 266 V CB -0.810 30.834 31.823 -0.299 0.000 0.651 266 V HN 0.572 nan 8.190 nan 0.000 0.449 267 L N -0.142 121.049 121.223 -0.053 0.000 2.131 267 L HA -0.171 4.162 4.340 -0.011 0.000 0.210 267 L C 2.032 178.916 176.870 0.023 0.000 1.092 267 L CA 1.324 56.154 54.840 -0.016 0.000 0.759 267 L CB -0.700 41.348 42.059 -0.019 0.000 0.903 267 L HN 0.338 nan 8.230 nan 0.000 0.435 268 D N -0.081 120.360 120.400 0.068 0.000 2.378 268 D HA -0.069 4.565 4.640 -0.011 0.000 0.227 268 D C 2.133 178.566 176.300 0.221 0.000 1.012 268 D CA 0.422 54.509 54.000 0.145 0.000 0.905 268 D CB 0.012 40.913 40.800 0.167 0.000 0.895 268 D HN 0.230 nan 8.370 nan 0.000 0.532 269 R N 0.302 120.866 120.500 0.107 0.000 2.159 269 R HA -0.080 4.253 4.340 -0.011 0.000 0.237 269 R C 1.720 177.890 176.300 -0.217 0.000 1.131 269 R CA 0.974 56.958 56.100 -0.194 0.000 0.982 269 R CB -0.289 29.928 30.300 -0.138 0.000 0.868 269 R HN 0.341 nan 8.270 nan 0.000 0.453 270 N N 0.342 118.997 118.700 -0.074 0.000 2.137 270 N HA -0.205 4.528 4.740 -0.011 0.000 0.190 270 N C 1.252 176.729 175.510 -0.054 0.000 1.017 270 N CA 0.836 53.856 53.050 -0.050 0.000 0.859 270 N CB -0.130 38.352 38.487 -0.009 0.000 1.002 270 N HN 0.017 nan 8.380 nan 0.000 0.428 271 L N 1.091 122.298 121.223 -0.027 0.000 2.012 271 L HA -0.170 4.164 4.340 -0.011 0.000 0.210 271 L C 2.465 179.297 176.870 -0.064 0.000 1.073 271 L CA 1.547 56.388 54.840 0.001 0.000 0.748 271 L CB -1.167 40.954 42.059 0.103 0.000 0.891 271 L HN 0.180 nan 8.230 nan 0.000 0.431 272 A N -0.889 121.816 122.820 -0.191 0.000 1.898 272 A HA -0.173 4.141 4.320 -0.011 0.000 0.216 272 A C 2.141 179.607 177.584 -0.196 0.000 1.181 272 A CA 1.451 53.345 52.037 -0.237 0.000 0.620 272 A CB -0.456 18.247 19.000 -0.494 0.000 0.819 272 A HN 0.533 nan 8.150 nan 0.000 0.442 273 E N 0.033 120.126 120.200 -0.178 0.000 2.427 273 E HA -0.077 4.266 4.350 -0.011 0.000 0.196 273 E C 1.081 177.638 176.600 -0.072 0.000 1.028 273 E CA 0.252 56.582 56.400 -0.117 0.000 0.864 273 E CB -0.154 29.496 29.700 -0.083 0.000 0.813 273 E HN 0.457 nan 8.360 nan 0.000 0.514 274 N N 1.133 119.798 118.700 -0.058 0.000 2.364 274 N HA -0.115 4.619 4.740 -0.011 0.000 0.183 274 N C 1.623 177.126 175.510 -0.011 0.000 1.022 274 N CA 0.677 53.721 53.050 -0.010 0.000 0.883 274 N CB -0.084 38.402 38.487 -0.002 0.000 0.965 274 N HN 0.259 nan 8.380 nan 0.000 0.438 275 I N 0.399 120.906 120.570 -0.106 0.000 2.194 275 I HA -0.269 3.895 4.170 -0.011 0.000 0.246 275 I C 1.472 177.552 176.117 -0.062 0.000 1.093 275 I CA 1.354 62.562 61.300 -0.153 0.000 1.355 275 I CB -0.242 37.501 38.000 -0.429 0.000 1.046 275 I HN 0.139 nan 8.210 nan 0.000 0.413 276 S N -0.449 115.207 115.700 -0.075 0.000 2.583 276 S HA 0.182 4.646 4.470 -0.011 0.000 0.239 276 S C 1.476 176.209 174.600 0.221 0.000 0.966 276 S CA -0.506 57.739 58.200 0.076 0.000 0.973 276 S CB 0.213 63.443 63.200 0.050 0.000 0.794 276 S HN 0.219 nan 8.310 nan 0.000 0.463 277 R N 1.188 121.823 120.500 0.224 0.000 2.075 277 R HA 0.293 4.627 4.340 -0.011 0.000 0.226 277 R C 0.340 176.898 176.300 0.430 0.000 1.114 277 R CA 1.025 57.301 56.100 0.293 0.000 0.972 277 R CB -0.149 30.284 30.300 0.222 0.000 0.869 277 R HN 0.393 nan 8.270 nan 0.000 0.437 278 V N 0.336 120.465 119.914 0.359 0.000 2.969 278 V HA 0.333 4.446 4.120 -0.011 0.000 0.304 278 V C -1.646 174.419 176.094 -0.049 0.000 1.192 278 V CA -1.372 61.058 62.300 0.217 0.000 0.962 278 V CB 1.757 33.628 31.823 0.080 0.000 1.045 278 V HN 0.125 nan 8.190 nan 0.000 0.428 279 L N 6.911 127.870 121.223 -0.441 0.000 2.410 279 L HA 0.435 4.768 4.340 -0.011 0.000 0.273 279 L C -0.766 175.951 176.870 -0.255 0.000 1.144 279 L CA 0.513 54.903 54.840 -0.750 0.000 0.863 279 L CB 0.300 41.871 42.059 -0.813 0.000 1.140 279 L HN 0.677 nan 8.230 nan 0.000 0.463 280 Y N 7.185 127.401 120.300 -0.141 0.000 2.569 280 Y HA 0.170 4.713 4.550 -0.011 0.000 0.332 280 Y C -1.301 174.594 175.900 -0.008 0.000 1.120 280 Y CA -1.096 56.992 58.100 -0.020 0.000 1.416 280 Y CB 0.326 38.798 38.460 0.019 0.000 1.210 280 Y HN 0.579 nan 8.280 nan 0.000 0.528 281 P HA 0.014 nan 4.420 nan 0.000 0.253 281 P C -0.825 176.608 177.300 0.221 0.000 1.459 281 P CA 0.111 63.319 63.100 0.180 0.000 0.908 281 P CB 0.155 32.049 31.700 0.324 0.000 1.470 282 N N 1.472 120.313 118.700 0.235 0.000 2.488 282 N HA 0.128 4.861 4.740 -0.011 0.000 0.274 282 N C -0.561 175.086 175.510 0.228 0.000 1.111 282 N CA 0.345 53.555 53.050 0.265 0.000 0.974 282 N CB 0.944 39.618 38.487 0.312 0.000 1.089 282 N HN 0.104 nan 8.380 nan 0.000 0.465 283 D N 0.878 121.438 120.400 0.267 0.000 2.408 283 D HA 0.207 4.840 4.640 -0.011 0.000 0.243 283 D C -0.368 176.127 176.300 0.325 0.000 1.075 283 D CA -0.421 53.727 54.000 0.247 0.000 0.832 283 D CB 0.353 41.292 40.800 0.232 0.000 1.162 283 D HN 0.317 nan 8.370 nan 0.000 0.515 284 N N 2.948 121.812 118.700 0.274 0.000 2.725 284 N HA -0.250 4.484 4.740 -0.011 0.000 0.251 284 N C -1.337 174.405 175.510 0.388 0.000 1.031 284 N CA 0.763 53.973 53.050 0.268 0.000 0.720 284 N CB -0.774 37.844 38.487 0.218 0.000 0.930 284 N HN 0.381 nan 8.380 nan 0.000 0.543 285 F N 0.465 120.514 119.950 0.164 0.000 2.639 285 F HA 0.417 4.937 4.527 -0.011 0.000 0.320 285 F C -1.582 174.296 175.800 0.131 0.000 1.128 285 F CA -1.098 56.979 58.000 0.128 0.000 1.037 285 F CB 0.899 39.941 39.000 0.069 0.000 1.288 285 F HN -0.031 nan 8.300 nan 0.000 0.463 286 F N 5.977 125.394 119.950 -0.888 0.000 2.404 286 F HA 0.503 5.023 4.527 -0.011 0.000 0.354 286 F C -0.523 174.767 175.800 -0.851 0.000 1.122 286 F CA -0.149 57.429 58.000 -0.703 0.000 1.080 286 F CB 0.789 39.470 39.000 -0.531 0.000 1.131 286 F HN 0.578 nan 8.300 nan 0.000 0.471 287 E N 4.065 123.542 120.200 -1.205 0.000 2.155 287 E HA 0.304 4.648 4.350 -0.011 0.000 0.264 287 E C -0.114 175.692 176.600 -1.323 0.000 0.886 287 E CA -0.742 55.070 56.400 -0.979 0.000 0.752 287 E CB 1.426 30.930 29.700 -0.328 0.000 1.133 287 E HN 0.918 nan 8.360 nan 0.000 0.414 288 G N 5.124 113.137 108.800 -1.312 0.000 3.401 288 G HA2 0.026 3.980 3.960 -0.011 0.000 0.251 288 G HA3 0.026 3.980 3.960 -0.011 0.000 0.251 288 G C 0.014 174.832 174.900 -0.137 0.000 0.960 288 G CA -0.221 44.327 45.100 -0.921 0.000 1.900 288 G HN 0.190 nan 8.290 nan 0.000 0.645 289 K N 0.441 120.802 120.400 -0.064 0.000 2.143 289 K HA 0.177 4.490 4.320 -0.011 0.000 0.272 289 K C 1.006 177.733 176.600 0.212 0.000 1.001 289 K CA -0.609 55.734 56.287 0.095 0.000 0.915 289 K CB 2.107 34.659 32.500 0.086 0.000 1.047 289 K HN 0.408 nan 8.250 nan 0.000 0.458 290 E N 1.578 121.875 120.200 0.162 0.000 2.085 290 E HA -0.207 4.137 4.350 -0.011 0.000 0.194 290 E C 1.526 178.160 176.600 0.056 0.000 0.994 290 E CA 0.991 57.447 56.400 0.094 0.000 0.801 290 E CB 0.163 29.918 29.700 0.092 0.000 0.743 290 E HN 0.382 nan 8.360 nan 0.000 0.453 291 L N 1.344 122.640 121.223 0.121 0.000 2.079 291 L HA -0.178 4.155 4.340 -0.011 0.000 0.210 291 L C 2.451 179.419 176.870 0.164 0.000 1.081 291 L CA 1.773 56.703 54.840 0.150 0.000 0.752 291 L CB -0.523 41.689 42.059 0.254 0.000 0.896 291 L HN 0.008 nan 8.230 nan 0.000 0.433 292 R N -0.625 119.917 120.500 0.070 0.000 2.081 292 R HA -0.162 4.172 4.340 -0.011 0.000 0.235 292 R C 2.116 178.458 176.300 0.070 0.000 1.131 292 R CA 1.833 57.901 56.100 -0.054 0.000 0.960 292 R CB -1.008 29.022 30.300 -0.450 0.000 0.856 292 R HN 0.403 nan 8.270 nan 0.000 0.436 293 L N 0.919 122.104 121.223 -0.063 0.000 2.046 293 L HA -0.091 4.242 4.340 -0.011 0.000 0.208 293 L C 1.722 178.535 176.870 -0.095 0.000 1.077 293 L CA 1.910 56.507 54.840 -0.405 0.000 0.747 293 L CB -0.399 41.126 42.059 -0.889 0.000 0.896 293 L HN 0.163 nan 8.230 nan 0.000 0.432 294 K N -0.967 119.427 120.400 -0.010 0.000 2.063 294 K HA -0.211 4.103 4.320 -0.011 0.000 0.208 294 K C 2.082 178.848 176.600 0.276 0.000 1.048 294 K CA 1.864 58.217 56.287 0.110 0.000 0.928 294 K CB -0.214 32.180 32.500 -0.176 0.000 0.713 294 K HN 0.522 nan 8.250 nan 0.000 0.442 295 Q N 0.661 120.590 119.800 0.214 0.000 2.050 295 Q HA -0.194 4.140 4.340 -0.011 0.000 0.202 295 Q C 1.982 178.180 176.000 0.331 0.000 0.980 295 Q CA 1.482 57.465 55.803 0.301 0.000 0.840 295 Q CB -0.055 28.880 28.738 0.329 0.000 0.898 295 Q HN 0.397 nan 8.270 nan 0.000 0.424 296 E N -0.179 120.169 120.200 0.246 0.000 2.077 296 E HA -0.209 4.134 4.350 -0.011 0.000 0.193 296 E C 1.740 178.450 176.600 0.183 0.000 0.989 296 E CA 1.001 57.526 56.400 0.209 0.000 0.800 296 E CB -0.135 29.664 29.700 0.166 0.000 0.746 296 E HN 0.326 nan 8.360 nan 0.000 0.452 297 Y N 0.398 120.741 120.300 0.071 0.000 2.263 297 Y HA -0.204 4.339 4.550 -0.010 0.000 0.292 297 Y C 1.972 177.902 175.900 0.049 0.000 1.130 297 Y CA 1.034 59.131 58.100 -0.005 0.000 1.179 297 Y CB -0.349 38.069 38.460 -0.070 0.000 0.998 297 Y HN 0.012 nan 8.280 nan 0.000 0.532 298 F N -0.376 119.565 119.950 -0.015 0.000 2.091 298 F HA -0.243 4.277 4.527 -0.011 0.000 0.299 298 F C 2.461 178.114 175.800 -0.245 0.000 1.103 298 F CA 1.981 59.925 58.000 -0.093 0.000 1.228 298 F CB -1.053 38.045 39.000 0.163 0.000 0.984 298 F HN -0.056 nan 8.300 nan 0.000 0.477 299 V N -0.487 119.388 119.914 -0.066 0.000 2.358 299 V HA -0.209 3.905 4.120 -0.011 0.000 0.246 299 V C 2.232 178.179 176.094 -0.245 0.000 1.047 299 V CA 1.952 64.183 62.300 -0.115 0.000 1.035 299 V CB -0.375 31.577 31.823 0.216 0.000 0.658 299 V HN 0.257 nan 8.190 nan 0.000 0.452 300 V N 0.420 120.199 119.914 -0.225 0.000 2.295 300 V HA -0.199 3.915 4.120 -0.011 0.000 0.246 300 V C 2.784 178.622 176.094 -0.426 0.000 1.049 300 V CA 2.186 64.335 62.300 -0.251 0.000 1.024 300 V CB -1.078 30.656 31.823 -0.149 0.000 0.648 300 V HN 0.645 nan 8.190 nan 0.000 0.447 301 A N -0.249 122.149 122.820 -0.705 0.000 1.873 301 A HA -0.061 4.253 4.320 -0.011 0.000 0.215 301 A C 2.397 179.610 177.584 -0.618 0.000 1.186 301 A CA 1.985 53.599 52.037 -0.705 0.000 0.616 301 A CB -0.771 17.596 19.000 -1.056 0.000 0.823 301 A HN 0.555 nan 8.150 nan 0.000 0.442 302 A N -1.031 121.262 122.820 -0.878 0.000 1.898 302 A HA -0.054 4.260 4.320 -0.011 0.000 0.216 302 A C 2.310 179.401 177.584 -0.822 0.000 1.181 302 A CA 2.246 53.579 52.037 -1.173 0.000 0.620 302 A CB -1.252 16.386 19.000 -2.271 0.000 0.819 302 A HN 0.418 nan 8.150 nan 0.000 0.442 303 T N 0.557 114.765 114.554 -0.578 0.000 2.708 303 T HA -0.089 4.255 4.350 -0.011 0.000 0.266 303 T C 1.798 176.234 174.700 -0.439 0.000 1.037 303 T CA 1.294 63.172 62.100 -0.370 0.000 1.146 303 T CB -0.262 68.395 68.868 -0.353 0.000 0.865 303 T HN 0.201 nan 8.240 nan 0.000 0.435 304 L N 1.204 122.213 121.223 -0.356 0.000 2.083 304 L HA -0.088 4.246 4.340 -0.011 0.000 0.209 304 L C 2.617 179.368 176.870 -0.198 0.000 1.083 304 L CA 1.736 56.416 54.840 -0.265 0.000 0.752 304 L CB -1.215 40.727 42.059 -0.195 0.000 0.899 304 L HN 0.433 nan 8.230 nan 0.000 0.433 305 Q N -0.685 118.996 119.800 -0.199 0.000 2.084 305 Q HA -0.249 4.085 4.340 -0.011 0.000 0.202 305 Q C 1.845 177.807 176.000 -0.065 0.000 0.978 305 Q CA 1.792 57.526 55.803 -0.116 0.000 0.844 305 Q CB -0.040 28.615 28.738 -0.138 0.000 0.898 305 Q HN 0.399 nan 8.270 nan 0.000 0.426 306 D N 0.432 120.789 120.400 -0.073 0.000 2.117 306 D HA -0.109 4.524 4.640 -0.011 0.000 0.197 306 D C 1.674 177.920 176.300 -0.090 0.000 0.987 306 D CA 0.883 54.889 54.000 0.011 0.000 0.829 306 D CB -0.046 40.883 40.800 0.215 0.000 0.961 306 D HN 0.161 nan 8.370 nan 0.000 0.460 307 I N 0.109 120.515 120.570 -0.274 0.000 2.163 307 I HA -0.259 3.904 4.170 -0.011 0.000 0.243 307 I C 2.304 178.422 176.117 0.002 0.000 1.085 307 I CA 0.815 61.896 61.300 -0.365 0.000 1.347 307 I CB -0.182 37.439 38.000 -0.632 0.000 1.044 307 I HN 0.057 nan 8.210 nan 0.000 0.408 308 I N 0.230 120.853 120.570 0.088 0.000 2.252 308 I HA -0.286 3.877 4.170 -0.011 0.000 0.245 308 I C 2.765 179.029 176.117 0.244 0.000 1.102 308 I CA 1.177 62.638 61.300 0.268 0.000 1.385 308 I CB -0.385 37.726 38.000 0.184 0.000 1.064 308 I HN 0.169 nan 8.210 nan 0.000 0.414 309 R N 1.153 121.727 120.500 0.122 0.000 2.083 309 R HA -0.227 4.106 4.340 -0.011 0.000 0.237 309 R C 2.508 178.859 176.300 0.086 0.000 1.137 309 R CA 1.793 57.947 56.100 0.089 0.000 0.951 309 R CB -0.269 30.060 30.300 0.048 0.000 0.851 309 R HN 0.186 nan 8.270 nan 0.000 0.434 310 R N -0.710 119.839 120.500 0.082 0.000 2.115 310 R HA -0.154 4.180 4.340 -0.011 0.000 0.230 310 R C 2.113 178.495 176.300 0.136 0.000 1.111 310 R CA 1.579 57.731 56.100 0.086 0.000 0.976 310 R CB -0.328 30.012 30.300 0.066 0.000 0.870 310 R HN 0.309 nan 8.270 nan 0.000 0.445 311 F N 1.383 121.357 119.950 0.041 0.000 2.146 311 F HA -0.089 4.431 4.527 -0.011 0.000 0.298 311 F C 1.691 177.494 175.800 0.005 0.000 1.096 311 F CA 1.515 59.534 58.000 0.032 0.000 1.275 311 F CB 0.054 39.119 39.000 0.108 0.000 1.008 311 F HN -0.138 nan 8.300 nan 0.000 0.480 312 K N -0.353 120.019 120.400 -0.046 0.000 2.155 312 K HA -0.048 4.265 4.320 -0.011 0.000 0.203 312 K C 1.882 178.397 176.600 -0.142 0.000 1.052 312 K CA 1.352 57.538 56.287 -0.168 0.000 0.948 312 K CB -0.241 32.261 32.500 0.003 0.000 0.728 312 K HN 0.134 nan 8.250 nan 0.000 0.448 313 S N 0.970 116.641 115.700 -0.047 0.000 2.603 313 S HA 0.062 4.526 4.470 -0.011 0.000 0.220 313 S C 0.418 175.040 174.600 0.037 0.000 0.967 313 S CA -0.137 58.071 58.200 0.012 0.000 0.920 313 S CB 0.135 63.367 63.200 0.053 0.000 0.773 313 S HN 0.141 nan 8.310 nan 0.000 0.529 314 S N 2.016 117.663 115.700 -0.088 0.000 2.580 314 S HA 0.252 4.716 4.470 -0.011 0.000 0.261 314 S C 0.393 174.879 174.600 -0.191 0.000 1.366 314 S CA -0.047 58.072 58.200 -0.135 0.000 0.996 314 S CB 0.244 63.285 63.200 -0.265 0.000 0.902 314 S HN 0.538 nan 8.310 nan 0.000 0.566 325 N N 0.821 119.467 118.700 -0.091 0.000 2.558 325 N HA 0.301 5.035 4.740 -0.011 0.000 0.233 325 N C 0.005 175.564 175.510 0.081 0.000 1.038 325 N CA -0.166 52.901 53.050 0.028 0.000 0.934 325 N CB 0.180 38.692 38.487 0.041 0.000 1.175 325 N HN 0.177 nan 8.380 nan 0.000 0.512 326 F N 1.666 121.722 119.950 0.178 0.000 2.661 326 F HA 0.052 4.572 4.527 -0.011 0.000 0.298 326 F C 1.408 177.263 175.800 0.092 0.000 1.137 326 F CA 0.327 58.393 58.000 0.110 0.000 1.454 326 F CB 0.248 39.210 39.000 -0.064 0.000 1.103 326 F HN 0.485 nan 8.300 nan 0.000 0.577 327 D N 0.261 120.795 120.400 0.224 0.000 2.182 327 D HA -0.167 4.467 4.640 -0.011 0.000 0.201 327 D C 2.102 178.487 176.300 0.142 0.000 0.986 327 D CA 1.278 55.367 54.000 0.149 0.000 0.847 327 D CB -0.114 40.750 40.800 0.107 0.000 0.942 327 D HN 0.249 nan 8.370 nan 0.000 0.467 328 A N -0.677 122.249 122.820 0.177 0.000 2.275 328 A HA 0.122 4.436 4.320 -0.011 0.000 0.212 328 A C 1.503 179.187 177.584 0.166 0.000 1.201 328 A CA -0.334 51.802 52.037 0.165 0.000 0.843 328 A CB -0.726 18.378 19.000 0.174 0.000 0.873 328 A HN 0.221 nan 8.150 nan 0.000 0.492 329 F N 1.995 121.902 119.950 -0.072 0.000 2.065 329 F HA -0.153 4.368 4.527 -0.010 0.000 0.298 329 F C -0.773 174.913 175.800 -0.191 0.000 1.112 329 F CA 2.617 60.383 58.000 -0.391 0.000 1.212 329 F CB -0.576 38.212 39.000 -0.353 0.000 0.975 329 F HN 0.203 nan 8.300 nan 0.000 0.476 330 P HA -0.104 nan 4.420 nan 0.000 0.225 330 P C 0.733 177.986 177.300 -0.079 0.000 1.148 330 P CA 1.477 64.544 63.100 -0.056 0.000 0.779 330 P CB -0.096 31.600 31.700 -0.006 0.000 0.780 331 D N -0.716 119.658 120.400 -0.043 0.000 2.277 331 D HA -0.045 4.588 4.640 -0.011 0.000 0.208 331 D C 1.489 177.769 176.300 -0.034 0.000 0.962 331 D CA 0.959 54.947 54.000 -0.020 0.000 0.865 331 D CB 0.097 40.907 40.800 0.017 0.000 0.939 331 D HN 0.175 nan 8.370 nan 0.000 0.510 332 K N 0.013 120.367 120.400 -0.078 0.000 2.402 332 K HA 0.210 4.523 4.320 -0.011 0.000 0.203 332 K C -0.126 176.379 176.600 -0.158 0.000 1.077 332 K CA 0.072 56.327 56.287 -0.054 0.000 1.051 332 K CB 2.450 35.026 32.500 0.126 0.000 0.907 332 K HN -0.068 nan 8.250 nan 0.000 0.554 333 V N 1.101 120.830 119.914 -0.307 0.000 2.623 333 V HA 0.585 4.699 4.120 -0.011 0.000 0.304 333 V C -1.087 174.905 176.094 -0.169 0.000 1.054 333 V CA -1.242 60.871 62.300 -0.312 0.000 0.882 333 V CB 1.793 33.116 31.823 -0.834 0.000 1.002 333 V HN 0.118 nan 8.190 nan 0.000 0.424 334 A N 5.848 128.622 122.820 -0.077 0.000 2.343 334 A HA 0.931 5.245 4.320 -0.011 0.000 0.316 334 A C -0.930 176.672 177.584 0.030 0.000 1.104 334 A CA -0.498 51.528 52.037 -0.018 0.000 0.768 334 A CB 0.984 19.928 19.000 -0.094 0.000 1.213 334 A HN 0.773 nan 8.150 nan 0.000 0.456 335 I N 1.804 122.436 120.570 0.104 0.000 2.382 335 I HA 0.303 4.467 4.170 -0.011 0.000 0.286 335 I C -0.289 175.915 176.117 0.145 0.000 1.002 335 I CA -0.560 60.814 61.300 0.124 0.000 1.135 335 I CB 1.926 39.982 38.000 0.093 0.000 1.288 335 I HN 0.696 nan 8.210 nan 0.000 0.448 336 Q N 6.786 126.670 119.800 0.140 0.000 2.314 336 Q HA 0.503 4.837 4.340 -0.011 0.000 0.259 336 Q C -1.321 174.673 176.000 -0.010 0.000 0.951 336 Q CA -0.273 55.639 55.803 0.182 0.000 0.909 336 Q CB 1.290 30.252 28.738 0.373 0.000 1.236 336 Q HN 0.566 nan 8.270 nan 0.000 0.444 337 L N 3.732 124.989 121.223 0.056 0.000 2.261 337 L HA 0.395 4.729 4.340 -0.011 0.000 0.289 337 L C 0.074 176.963 176.870 0.032 0.000 1.059 337 L CA -0.727 54.136 54.840 0.038 0.000 0.816 337 L CB 0.609 42.738 42.059 0.116 0.000 1.191 337 L HN 0.561 nan 8.230 nan 0.000 0.431 338 N N 4.651 123.293 118.700 -0.098 0.000 2.508 338 N HA 0.059 4.793 4.740 -0.011 0.000 0.253 338 N C -0.091 175.441 175.510 0.036 0.000 1.145 338 N CA 0.477 53.525 53.050 -0.003 0.000 0.973 338 N CB -0.057 38.349 38.487 -0.135 0.000 1.305 338 N HN 0.666 nan 8.380 nan 0.000 0.506 339 D N -0.157 120.355 120.400 0.187 0.000 4.160 339 D HA -0.233 4.400 4.640 -0.011 0.000 0.291 339 D C 0.184 176.573 176.300 0.150 0.000 2.226 339 D CA 1.579 55.668 54.000 0.148 0.000 1.157 339 D CB -0.434 40.212 40.800 -0.258 0.000 1.020 339 D HN 0.533 nan 8.370 nan 0.000 1.219 340 T N -2.510 112.071 114.554 0.045 0.000 3.129 340 T HA 0.095 4.439 4.350 -0.011 0.000 0.251 340 T C 1.556 176.331 174.700 0.125 0.000 1.117 340 T CA 1.310 63.422 62.100 0.020 0.000 1.034 340 T CB -0.457 68.394 68.868 -0.028 0.000 0.968 340 T HN 0.474 nan 8.240 nan 0.000 0.526 341 H N 2.616 121.772 119.070 0.143 0.000 2.352 341 H HA -0.000 4.550 4.556 -0.011 0.000 0.299 341 H C -0.836 174.578 175.328 0.143 0.000 1.097 341 H CA 0.977 57.124 56.048 0.165 0.000 1.311 341 H CB -0.917 28.945 29.762 0.166 0.000 1.377 341 H HN 0.433 nan 8.280 nan 0.000 0.504 342 P HA 0.077 nan 4.420 nan 0.000 0.254 342 P C 0.718 178.058 177.300 0.068 0.000 1.620 342 P CA 0.349 63.526 63.100 0.128 0.000 1.050 342 P CB 0.287 32.052 31.700 0.107 0.000 1.539 343 S N -0.220 115.513 115.700 0.055 0.000 2.440 343 S HA -0.138 4.325 4.470 -0.011 0.000 0.238 343 S C 1.759 176.357 174.600 -0.004 0.000 1.010 343 S CA 0.797 58.990 58.200 -0.011 0.000 0.972 343 S CB -1.485 61.685 63.200 -0.051 0.000 0.774 343 S HN 0.158 nan 8.310 nan 0.000 0.501 344 L N 1.018 122.251 121.223 0.017 0.000 2.450 344 L HA 0.007 4.341 4.340 -0.011 0.000 0.224 344 L C 2.940 179.835 176.870 0.042 0.000 1.149 344 L CA 0.625 55.475 54.840 0.016 0.000 0.816 344 L CB -0.783 41.281 42.059 0.008 0.000 0.932 344 L HN 0.470 nan 8.230 nan 0.000 0.449 345 A N 0.622 123.451 122.820 0.015 0.000 1.948 345 A HA -0.219 4.094 4.320 -0.011 0.000 0.220 345 A C 2.181 179.761 177.584 -0.006 0.000 1.177 345 A CA 1.631 53.664 52.037 -0.007 0.000 0.636 345 A CB -0.501 18.488 19.000 -0.018 0.000 0.815 345 A HN 0.378 nan 8.150 nan 0.000 0.449 346 I N 0.220 120.788 120.570 -0.003 0.000 2.090 346 I HA -0.149 4.015 4.170 -0.011 0.000 0.236 346 I C -0.362 175.773 176.117 0.030 0.000 1.064 346 I CA 1.613 62.911 61.300 -0.004 0.000 1.324 346 I CB -0.997 37.002 38.000 -0.002 0.000 1.044 346 I HN 0.246 nan 8.210 nan 0.000 0.399 347 P HA -0.161 nan 4.420 nan 0.000 0.221 347 P C 1.266 178.599 177.300 0.055 0.000 1.150 347 P CA 1.430 64.569 63.100 0.065 0.000 0.800 347 P CB 0.029 31.788 31.700 0.099 0.000 0.787 348 E N 0.249 120.540 120.200 0.151 0.000 2.072 348 E HA -0.153 4.190 4.350 -0.011 0.000 0.191 348 E C 1.914 178.504 176.600 -0.018 0.000 0.985 348 E CA 0.697 57.197 56.400 0.167 0.000 0.801 348 E CB -1.202 28.632 29.700 0.224 0.000 0.750 348 E HN -0.012 nan 8.360 nan 0.000 0.452 349 L N 0.004 121.185 121.223 -0.069 0.000 2.046 349 L HA -0.120 4.214 4.340 -0.011 0.000 0.208 349 L C 2.114 178.848 176.870 -0.226 0.000 1.077 349 L CA 1.782 56.524 54.840 -0.164 0.000 0.747 349 L CB -0.590 41.373 42.059 -0.159 0.000 0.896 349 L HN 0.246 nan 8.230 nan 0.000 0.432 350 M N -0.838 118.644 119.600 -0.196 0.000 2.080 350 M HA -0.236 4.238 4.480 -0.011 0.000 0.260 350 M C 2.432 178.575 176.300 -0.262 0.000 1.068 350 M CA 1.598 56.732 55.300 -0.278 0.000 1.109 350 M CB -1.258 31.165 32.600 -0.295 0.000 1.342 350 M HN 0.331 nan 8.290 nan 0.000 0.405 351 R N 0.064 120.436 120.500 -0.214 0.000 2.080 351 R HA -0.140 4.193 4.340 -0.011 0.000 0.236 351 R C 2.093 178.290 176.300 -0.172 0.000 1.137 351 R CA 1.800 57.773 56.100 -0.211 0.000 0.943 351 R CB -0.234 29.891 30.300 -0.292 0.000 0.846 351 R HN 0.218 nan 8.270 nan 0.000 0.431 352 V N 1.506 121.317 119.914 -0.171 0.000 2.295 352 V HA -0.267 3.847 4.120 -0.011 0.000 0.246 352 V C 2.427 178.359 176.094 -0.270 0.000 1.049 352 V CA 1.802 63.992 62.300 -0.183 0.000 1.024 352 V CB -0.436 31.277 31.823 -0.184 0.000 0.648 352 V HN 0.349 nan 8.190 nan 0.000 0.447 353 L N -0.658 120.347 121.223 -0.363 0.000 2.056 353 L HA -0.119 4.215 4.340 -0.011 0.000 0.207 353 L C 2.397 179.087 176.870 -0.300 0.000 1.078 353 L CA 1.085 55.648 54.840 -0.461 0.000 0.749 353 L CB -0.598 41.144 42.059 -0.529 0.000 0.901 353 L HN 0.209 nan 8.230 nan 0.000 0.433 354 V N -0.515 119.264 119.914 -0.225 0.000 2.300 354 V HA -0.185 3.929 4.120 -0.011 0.000 0.241 354 V C 1.958 178.007 176.094 -0.075 0.000 1.034 354 V CA 1.707 63.935 62.300 -0.121 0.000 1.021 354 V CB -0.365 31.417 31.823 -0.068 0.000 0.662 354 V HN 0.348 nan 8.190 nan 0.000 0.458 355 D N -0.120 120.231 120.400 -0.082 0.000 2.194 355 D HA 0.001 4.635 4.640 -0.011 0.000 0.204 355 D C 1.987 178.257 176.300 -0.051 0.000 0.964 355 D CA 1.137 55.106 54.000 -0.052 0.000 0.846 355 D CB 0.122 40.889 40.800 -0.055 0.000 0.962 355 D HN 0.339 nan 8.370 nan 0.000 0.490 356 L N 0.044 121.221 121.223 -0.077 0.000 2.445 356 L HA 0.142 4.476 4.340 -0.011 0.000 0.207 356 L C 1.765 178.600 176.870 -0.058 0.000 1.053 356 L CA 0.390 55.195 54.840 -0.058 0.000 0.841 356 L CB 0.141 42.166 42.059 -0.056 0.000 1.074 356 L HN -0.201 nan 8.230 nan 0.000 0.479 357 E N 0.558 120.688 120.200 -0.116 0.000 2.474 357 E HA 0.049 4.392 4.350 -0.011 0.000 0.194 357 E C 0.017 176.575 176.600 -0.071 0.000 1.041 357 E CA -0.046 56.290 56.400 -0.107 0.000 0.874 357 E CB 0.366 29.887 29.700 -0.297 0.000 0.914 357 E HN 0.208 nan 8.360 nan 0.000 0.498 358 R N -0.099 120.358 120.500 -0.072 0.000 3.531 358 R HA -0.188 4.145 4.340 -0.011 0.000 0.280 358 R C -0.349 175.933 176.300 -0.029 0.000 1.130 358 R CA 0.260 56.341 56.100 -0.032 0.000 0.757 358 R CB -2.901 27.398 30.300 -0.002 0.000 1.218 358 R HN 0.069 nan 8.270 nan 0.000 0.454 359 L N 2.168 123.346 121.223 -0.076 0.000 2.418 359 L HA 0.165 4.499 4.340 -0.011 0.000 0.265 359 L C 1.437 178.299 176.870 -0.013 0.000 1.143 359 L CA 0.136 54.942 54.840 -0.057 0.000 0.809 359 L CB 0.443 42.422 42.059 -0.133 0.000 1.124 359 L HN 0.154 nan 8.230 nan 0.000 0.456 360 D N 0.877 121.293 120.400 0.027 0.000 2.382 360 D HA -0.144 4.489 4.640 -0.011 0.000 0.240 360 D C 0.967 177.333 176.300 0.110 0.000 1.146 360 D CA -0.493 53.557 54.000 0.083 0.000 0.897 360 D CB 0.722 41.576 40.800 0.091 0.000 1.197 360 D HN 0.621 nan 8.370 nan 0.000 0.432 361 W N 2.232 123.534 121.300 0.003 0.000 2.302 361 W HA -0.250 4.404 4.660 -0.010 0.000 0.320 361 W C 1.014 177.575 176.519 0.069 0.000 1.241 361 W CA 2.007 59.360 57.345 0.014 0.000 1.264 361 W CB -0.311 29.137 29.460 -0.019 0.000 1.154 361 W HN 0.457 nan 8.180 nan 0.000 0.483 362 D N 0.256 120.856 120.400 0.334 0.000 2.123 362 D HA -0.199 4.435 4.640 -0.011 0.000 0.196 362 D C 1.899 178.299 176.300 0.167 0.000 0.992 362 D CA 1.965 56.135 54.000 0.283 0.000 0.833 362 D CB -0.421 40.517 40.800 0.230 0.000 0.954 362 D HN 0.069 nan 8.370 nan 0.000 0.455 363 K N 1.108 121.564 120.400 0.093 0.000 2.057 363 K HA 0.028 4.342 4.320 -0.011 0.000 0.206 363 K C 1.836 178.424 176.600 -0.019 0.000 1.050 363 K CA 1.406 57.721 56.287 0.045 0.000 0.935 363 K CB -0.585 31.937 32.500 0.037 0.000 0.715 363 K HN -0.004 nan 8.250 nan 0.000 0.439 364 A N 0.650 123.415 122.820 -0.092 0.000 1.908 364 A HA -0.203 4.110 4.320 -0.011 0.000 0.218 364 A C 2.257 179.745 177.584 -0.161 0.000 1.181 364 A CA 1.596 53.511 52.037 -0.203 0.000 0.627 364 A CB -1.223 17.587 19.000 -0.316 0.000 0.818 364 A HN 0.706 nan 8.150 nan 0.000 0.445 365 W N 0.605 121.696 121.300 -0.349 0.000 2.381 365 W HA -0.168 4.486 4.660 -0.010 0.000 0.301 365 W C 2.003 178.463 176.519 -0.098 0.000 1.205 365 W CA 1.767 58.957 57.345 -0.259 0.000 1.285 365 W CB -0.125 29.219 29.460 -0.194 0.000 1.133 365 W HN 0.633 nan 8.180 nan 0.000 0.521 366 E N 0.203 120.395 120.200 -0.014 0.000 2.058 366 E HA -0.238 4.106 4.350 -0.011 0.000 0.194 366 E C 2.025 178.549 176.600 -0.125 0.000 0.997 366 E CA 2.154 58.511 56.400 -0.071 0.000 0.801 366 E CB -0.397 29.317 29.700 0.022 0.000 0.746 366 E HN 0.048 nan 8.360 nan 0.000 0.450 367 V N 0.744 120.599 119.914 -0.098 0.000 2.295 367 V HA -0.264 3.850 4.120 -0.011 0.000 0.246 367 V C 2.415 178.445 176.094 -0.108 0.000 1.049 367 V CA 2.202 64.462 62.300 -0.066 0.000 1.024 367 V CB -0.804 30.975 31.823 -0.074 0.000 0.648 367 V HN 0.407 nan 8.190 nan 0.000 0.447 368 T N 0.062 114.482 114.554 -0.223 0.000 2.652 368 T HA -0.184 4.160 4.350 -0.011 0.000 0.267 368 T C 1.956 176.476 174.700 -0.301 0.000 1.039 368 T CA 1.799 63.740 62.100 -0.265 0.000 1.153 368 T CB -0.309 68.352 68.868 -0.345 0.000 0.863 368 T HN 0.271 nan 8.240 nan 0.000 0.428 369 V N 1.444 121.063 119.914 -0.492 0.000 2.287 369 V HA -0.196 3.917 4.120 -0.011 0.000 0.248 369 V C 2.372 178.419 176.094 -0.080 0.000 1.053 369 V CA 1.701 63.770 62.300 -0.386 0.000 1.027 369 V CB -0.508 31.008 31.823 -0.513 0.000 0.646 369 V HN 0.467 nan 8.190 nan 0.000 0.447 370 K N -0.513 119.826 120.400 -0.103 0.000 2.283 370 K HA -0.099 4.215 4.320 -0.011 0.000 0.202 370 K C 2.091 178.661 176.600 -0.050 0.000 1.048 370 K CA 1.561 57.770 56.287 -0.130 0.000 0.948 370 K CB -0.227 32.197 32.500 -0.128 0.000 0.742 370 K HN 0.481 nan 8.250 nan 0.000 0.458 371 T N 0.137 114.719 114.554 0.047 0.000 2.976 371 T HA 0.015 4.359 4.350 -0.011 0.000 0.257 371 T C 0.894 175.699 174.700 0.175 0.000 1.051 371 T CA 0.428 62.591 62.100 0.105 0.000 1.141 371 T CB 0.105 69.066 68.868 0.155 0.000 0.881 371 T HN 0.166 nan 8.240 nan 0.000 0.461 372 C N 2.275 121.663 119.300 0.147 0.000 2.365 372 C HA 0.889 5.343 4.460 -0.011 0.000 0.351 372 C C 0.579 175.624 174.990 0.092 0.000 1.240 372 C CA -1.194 57.888 59.018 0.106 0.000 2.062 372 C CB 0.189 27.932 27.740 0.004 0.000 2.387 372 C HN 0.599 nan 8.230 nan 0.000 0.537 373 A N 2.061 124.928 122.820 0.079 0.000 2.539 373 A HA 0.795 5.109 4.320 -0.011 0.000 0.296 373 A C -1.630 176.025 177.584 0.117 0.000 1.073 373 A CA -0.438 51.594 52.037 -0.009 0.000 0.700 373 A CB 1.128 20.114 19.000 -0.023 0.000 1.296 373 A HN 0.951 nan 8.150 nan 0.000 0.405 374 Y N 0.879 121.127 120.300 -0.086 0.000 2.361 374 Y HA 0.622 5.165 4.550 -0.010 0.000 0.337 374 Y C -0.619 175.258 175.900 -0.039 0.000 0.965 374 Y CA -0.327 57.732 58.100 -0.068 0.000 1.091 374 Y CB 2.073 40.449 38.460 -0.141 0.000 1.182 374 Y HN 0.580 nan 8.280 nan 0.000 0.450 375 T N 6.523 120.867 114.554 -0.350 0.000 2.758 375 T HA 0.189 4.533 4.350 -0.011 0.000 0.285 375 T C -0.768 173.479 174.700 -0.755 0.000 0.981 375 T CA -0.773 61.056 62.100 -0.452 0.000 0.965 375 T CB 0.450 69.278 68.868 -0.066 0.000 0.927 375 T HN 0.643 nan 8.240 nan 0.000 0.448 376 N N 1.776 120.025 118.700 -0.752 0.000 2.456 376 N HA 0.139 4.872 4.740 -0.011 0.000 0.288 376 N C 0.061 175.458 175.510 -0.189 0.000 1.059 376 N CA -0.327 52.510 53.050 -0.355 0.000 0.946 376 N CB 0.815 39.251 38.487 -0.085 0.000 1.150 376 N HN 0.661 nan 8.380 nan 0.000 0.479 377 H N 0.909 120.014 119.070 0.059 0.000 2.893 377 H HA 0.162 4.712 4.556 -0.011 0.000 0.270 377 H C -0.176 175.081 175.328 -0.117 0.000 1.095 377 H CA 0.058 56.090 56.048 -0.026 0.000 1.186 377 H CB 1.183 30.934 29.762 -0.018 0.000 1.562 377 H HN 0.543 nan 8.280 nan 0.000 0.536 378 T N 0.145 114.740 114.554 0.068 0.000 2.830 378 T HA 0.221 4.565 4.350 -0.011 0.000 0.322 378 T C 0.388 175.122 174.700 0.057 0.000 1.501 378 T CA -0.327 61.759 62.100 -0.023 0.000 1.036 378 T CB 1.302 70.144 68.868 -0.044 0.000 1.379 378 T HN -0.050 nan 8.240 nan 0.000 0.493 379 V N 1.799 121.708 119.914 -0.009 0.000 3.578 379 V HA 0.555 4.669 4.120 -0.011 0.000 0.290 379 V C 0.648 176.708 176.094 -0.057 0.000 1.376 379 V CA 0.025 62.306 62.300 -0.031 0.000 1.083 379 V CB -0.481 31.322 31.823 -0.032 0.000 0.911 379 V HN 0.700 nan 8.190 nan 0.000 0.433 380 L N 2.968 124.146 121.223 -0.075 0.000 2.477 380 L HA 0.222 4.556 4.340 -0.011 0.000 0.272 380 L C -0.617 176.257 176.870 0.007 0.000 1.157 380 L CA -1.019 53.798 54.840 -0.038 0.000 0.889 380 L CB 0.725 42.738 42.059 -0.076 0.000 1.158 380 L HN 0.134 nan 8.230 nan 0.000 0.473 381 P HA -0.199 nan 4.420 nan 0.000 0.218 381 P C 0.974 178.289 177.300 0.026 0.000 1.149 381 P CA 1.179 64.288 63.100 0.014 0.000 0.817 381 P CB 0.064 31.776 31.700 0.020 0.000 0.785 382 E N 0.403 120.653 120.200 0.083 0.000 2.418 382 E HA -0.056 4.288 4.350 -0.011 0.000 0.197 382 E C 1.643 178.265 176.600 0.038 0.000 1.026 382 E CA 1.048 57.509 56.400 0.102 0.000 0.862 382 E CB -0.778 29.092 29.700 0.283 0.000 0.799 382 E HN 0.186 nan 8.360 nan 0.000 0.518 383 A N 1.386 124.244 122.820 0.064 0.000 2.178 383 A HA 0.201 4.515 4.320 -0.011 0.000 0.211 383 A C 1.379 178.959 177.584 -0.007 0.000 1.157 383 A CA -0.216 51.860 52.037 0.066 0.000 0.780 383 A CB -0.085 18.975 19.000 0.100 0.000 0.828 383 A HN 0.143 nan 8.150 nan 0.000 0.476 384 L N 1.536 122.711 121.223 -0.080 0.000 2.410 384 L HA 0.143 4.476 4.340 -0.011 0.000 0.273 384 L C -0.134 176.413 176.870 -0.539 0.000 1.152 384 L CA -0.026 54.704 54.840 -0.184 0.000 0.855 384 L CB 0.475 42.457 42.059 -0.127 0.000 1.129 384 L HN 0.368 nan 8.230 nan 0.000 0.463 385 E N 4.206 123.991 120.200 -0.691 0.000 2.180 385 E HA 0.235 4.579 4.350 -0.011 0.000 0.283 385 E C -0.565 175.389 176.600 -1.077 0.000 1.061 385 E CA -0.175 55.344 56.400 -1.468 0.000 0.861 385 E CB 0.752 29.960 29.700 -0.821 0.000 1.056 385 E HN 0.397 nan 8.360 nan 0.000 0.407 386 R N 3.643 123.365 120.500 -1.296 0.000 2.472 386 R HA 0.196 4.530 4.340 -0.011 0.000 0.294 386 R C -1.303 174.818 176.300 -0.300 0.000 1.243 386 R CA -0.535 55.254 56.100 -0.519 0.000 1.023 386 R CB 0.839 30.966 30.300 -0.287 0.000 1.157 386 R HN 0.456 nan 8.270 nan 0.000 0.530 387 W N 4.512 125.760 121.300 -0.087 0.000 2.322 387 W HA 0.286 4.940 4.660 -0.011 0.000 0.307 387 W C -1.901 174.597 176.519 -0.035 0.000 1.220 387 W CA -2.152 55.204 57.345 0.017 0.000 1.210 387 W CB 0.817 30.265 29.460 -0.021 0.000 1.223 387 W HN 0.257 nan 8.180 nan 0.000 0.511 388 P HA -0.093 nan 4.420 nan 0.000 0.264 388 P C 0.796 178.050 177.300 -0.078 0.000 1.193 388 P CA 0.225 63.312 63.100 -0.021 0.000 0.763 388 P CB 0.739 32.266 31.700 -0.288 0.000 0.810 389 V N 3.257 123.175 119.914 0.006 0.000 2.392 389 V HA -0.289 3.825 4.120 -0.011 0.000 0.249 389 V C 2.140 178.243 176.094 0.015 0.000 1.059 389 V CA 2.561 64.880 62.300 0.031 0.000 1.051 389 V CB -1.717 30.183 31.823 0.129 0.000 0.658 389 V HN 0.763 nan 8.190 nan 0.000 0.455 390 H N -1.054 118.073 119.070 0.095 0.000 2.421 390 H HA -0.086 4.464 4.556 -0.010 0.000 0.298 390 H C 2.034 177.410 175.328 0.080 0.000 1.087 390 H CA 1.621 57.720 56.048 0.085 0.000 1.330 390 H CB -0.594 29.220 29.762 0.086 0.000 1.388 390 H HN 0.350 nan 8.280 nan 0.000 0.526 391 L N 0.006 121.075 121.223 -0.256 0.000 2.027 391 L HA -0.115 4.218 4.340 -0.011 0.000 0.206 391 L C 2.399 179.221 176.870 -0.079 0.000 1.074 391 L CA 1.141 55.928 54.840 -0.088 0.000 0.745 391 L CB -0.279 41.726 42.059 -0.091 0.000 0.898 391 L HN 0.325 nan 8.230 nan 0.000 0.433 392 L N -0.705 120.448 121.223 -0.117 0.000 2.093 392 L HA -0.226 4.107 4.340 -0.011 0.000 0.208 392 L C 2.482 179.286 176.870 -0.110 0.000 1.085 392 L CA 1.085 55.828 54.840 -0.162 0.000 0.755 392 L CB -0.433 41.518 42.059 -0.180 0.000 0.904 392 L HN 0.300 nan 8.230 nan 0.000 0.435 393 E N -0.375 119.802 120.200 -0.038 0.000 2.085 393 E HA -0.220 4.123 4.350 -0.011 0.000 0.194 393 E C 1.950 178.581 176.600 0.052 0.000 0.994 393 E CA 1.985 58.393 56.400 0.014 0.000 0.801 393 E CB 0.124 29.872 29.700 0.081 0.000 0.743 393 E HN 0.456 nan 8.360 nan 0.000 0.453 394 T N 0.574 115.183 114.554 0.091 0.000 2.894 394 T HA -0.069 4.275 4.350 -0.011 0.000 0.258 394 T C 1.706 176.508 174.700 0.169 0.000 1.043 394 T CA 0.559 62.764 62.100 0.175 0.000 1.141 394 T CB -0.072 68.934 68.868 0.230 0.000 0.873 394 T HN 0.051 nan 8.240 nan 0.000 0.449 395 L N 0.007 121.227 121.223 -0.006 0.000 2.127 395 L HA 0.375 4.709 4.340 -0.011 0.000 0.203 395 L C 0.438 177.238 176.870 -0.118 0.000 1.080 395 L CA 1.548 56.265 54.840 -0.206 0.000 0.768 395 L CB 0.041 41.947 42.059 -0.255 0.000 0.924 395 L HN 0.169 nan 8.230 nan 0.000 0.444 396 L N 0.772 121.890 121.223 -0.176 0.000 2.625 396 L HA 0.288 4.622 4.340 -0.011 0.000 0.255 396 L C -1.689 174.992 176.870 -0.316 0.000 1.493 396 L CA -0.935 53.713 54.840 -0.319 0.000 0.796 396 L CB 0.880 42.613 42.059 -0.544 0.000 1.064 396 L HN -0.046 nan 8.230 nan 0.000 0.516 397 P HA -0.193 nan 4.420 nan 0.000 0.216 397 P C 1.446 178.540 177.300 -0.343 0.000 1.150 397 P CA 1.120 64.088 63.100 -0.220 0.000 0.837 397 P CB 0.378 32.024 31.700 -0.090 0.000 0.786 398 R N -0.204 119.906 120.500 -0.650 0.000 2.090 398 R HA -0.118 4.216 4.340 -0.011 0.000 0.228 398 R C 2.284 178.269 176.300 -0.525 0.000 1.110 398 R CA 1.590 57.318 56.100 -0.621 0.000 0.973 398 R CB -1.620 28.150 30.300 -0.883 0.000 0.869 398 R HN 0.244 nan 8.270 nan 0.000 0.440 399 H N -0.540 118.216 119.070 -0.523 0.000 2.387 399 H HA -0.070 4.480 4.556 -0.011 0.000 0.299 399 H C 1.594 176.743 175.328 -0.300 0.000 1.090 399 H CA 1.587 57.411 56.048 -0.373 0.000 1.332 399 H CB -0.182 29.325 29.762 -0.426 0.000 1.386 399 H HN 0.110 nan 8.280 nan 0.000 0.516 400 L N 0.875 121.963 121.223 -0.225 0.000 2.046 400 L HA -0.207 4.127 4.340 -0.011 0.000 0.208 400 L C 1.951 178.599 176.870 -0.369 0.000 1.077 400 L CA 1.664 56.296 54.840 -0.346 0.000 0.747 400 L CB -0.502 41.357 42.059 -0.333 0.000 0.896 400 L HN 0.270 nan 8.230 nan 0.000 0.432 401 Q N -0.645 119.047 119.800 -0.180 0.000 2.096 401 Q HA -0.217 4.117 4.340 -0.011 0.000 0.204 401 Q C 2.300 178.304 176.000 0.006 0.000 0.982 401 Q CA 2.138 57.928 55.803 -0.023 0.000 0.850 401 Q CB -0.261 28.474 28.738 -0.005 0.000 0.901 401 Q HN 0.576 nan 8.270 nan 0.000 0.422 402 I N 0.321 120.875 120.570 -0.027 0.000 2.252 402 I HA -0.277 3.887 4.170 -0.011 0.000 0.245 402 I C 2.135 178.320 176.117 0.113 0.000 1.102 402 I CA 1.041 62.404 61.300 0.105 0.000 1.385 402 I CB -0.154 37.864 38.000 0.030 0.000 1.064 402 I HN 0.193 nan 8.210 nan 0.000 0.414 403 I N -0.489 120.072 120.570 -0.015 0.000 2.226 403 I HA -0.317 3.847 4.170 -0.011 0.000 0.245 403 I C 2.392 178.538 176.117 0.048 0.000 1.100 403 I CA 1.378 62.666 61.300 -0.020 0.000 1.374 403 I CB -0.384 37.541 38.000 -0.125 0.000 1.057 403 I HN 0.159 nan 8.210 nan 0.000 0.413 404 Y N 0.830 121.135 120.300 0.009 0.000 2.181 404 Y HA -0.274 4.270 4.550 -0.010 0.000 0.288 404 Y C 2.610 178.479 175.900 -0.053 0.000 1.146 404 Y CA 1.539 59.631 58.100 -0.013 0.000 1.164 404 Y CB -0.797 37.648 38.460 -0.025 0.000 0.982 404 Y HN 0.206 nan 8.280 nan 0.000 0.515 405 E N 0.308 120.550 120.200 0.070 0.000 2.106 405 E HA -0.122 4.222 4.350 -0.011 0.000 0.192 405 E C 2.066 178.581 176.600 -0.142 0.000 0.984 405 E CA 1.074 57.377 56.400 -0.162 0.000 0.806 405 E CB -0.511 28.931 29.700 -0.431 0.000 0.750 405 E HN 0.470 nan 8.360 nan 0.000 0.458 406 I N 0.669 121.259 120.570 0.033 0.000 2.179 406 I HA -0.283 3.880 4.170 -0.011 0.000 0.242 406 I C 2.269 178.393 176.117 0.011 0.000 1.088 406 I CA 1.354 62.634 61.300 -0.034 0.000 1.357 406 I CB -0.404 37.588 38.000 -0.014 0.000 1.051 406 I HN 0.208 nan 8.210 nan 0.000 0.409 407 N N 0.786 119.539 118.700 0.088 0.000 2.069 407 N HA -0.280 4.454 4.740 -0.011 0.000 0.191 407 N C 1.877 177.470 175.510 0.138 0.000 1.031 407 N CA 1.649 54.797 53.050 0.164 0.000 0.852 407 N CB -0.198 38.403 38.487 0.191 0.000 1.018 407 N HN 0.330 nan 8.380 nan 0.000 0.423 408 Q N 0.048 119.875 119.800 0.045 0.000 2.061 408 Q HA -0.164 4.170 4.340 -0.011 0.000 0.204 408 Q C 2.009 177.992 176.000 -0.029 0.000 0.984 408 Q CA 1.511 57.304 55.803 -0.016 0.000 0.846 408 Q CB -0.034 28.654 28.738 -0.083 0.000 0.902 408 Q HN 0.385 nan 8.270 nan 0.000 0.421 409 R N -0.749 119.713 120.500 -0.063 0.000 2.092 409 R HA -0.107 4.226 4.340 -0.011 0.000 0.231 409 R C 2.165 178.492 176.300 0.044 0.000 1.119 409 R CA 1.282 57.343 56.100 -0.065 0.000 0.970 409 R CB -0.340 29.865 30.300 -0.158 0.000 0.864 409 R HN 0.279 nan 8.270 nan 0.000 0.440 410 F N 1.400 121.327 119.950 -0.039 0.000 2.113 410 F HA -0.101 4.419 4.527 -0.011 0.000 0.297 410 F C 1.821 177.643 175.800 0.037 0.000 1.103 410 F CA 1.365 59.390 58.000 0.040 0.000 1.248 410 F CB -0.169 38.888 39.000 0.094 0.000 0.999 410 F HN -0.117 nan 8.300 nan 0.000 0.475 411 L N -0.007 121.235 121.223 0.033 0.000 2.141 411 L HA -0.235 4.099 4.340 -0.011 0.000 0.209 411 L C 2.028 178.838 176.870 -0.101 0.000 1.094 411 L CA 1.503 56.300 54.840 -0.072 0.000 0.763 411 L CB -0.901 41.174 42.059 0.026 0.000 0.908 411 L HN 0.257 nan 8.230 nan 0.000 0.437 412 N N -0.198 118.460 118.700 -0.070 0.000 2.166 412 N HA -0.174 4.560 4.740 -0.011 0.000 0.186 412 N C 1.906 177.363 175.510 -0.087 0.000 1.019 412 N CA 0.847 53.855 53.050 -0.069 0.000 0.856 412 N CB -0.001 38.452 38.487 -0.058 0.000 0.993 412 N HN 0.314 nan 8.380 nan 0.000 0.426 413 R N 0.561 120.990 120.500 -0.118 0.000 2.092 413 R HA -0.027 4.306 4.340 -0.011 0.000 0.231 413 R C 2.189 178.388 176.300 -0.168 0.000 1.119 413 R CA 0.756 56.779 56.100 -0.129 0.000 0.970 413 R CB -0.311 29.924 30.300 -0.108 0.000 0.864 413 R HN 0.110 nan 8.270 nan 0.000 0.440 414 V N 1.141 120.905 119.914 -0.250 0.000 2.295 414 V HA -0.232 3.882 4.120 -0.011 0.000 0.246 414 V C 2.504 178.594 176.094 -0.006 0.000 1.049 414 V CA 1.978 64.195 62.300 -0.139 0.000 1.024 414 V CB -0.748 30.927 31.823 -0.248 0.000 0.648 414 V HN 0.367 nan 8.190 nan 0.000 0.447 415 A N 0.026 122.816 122.820 -0.050 0.000 1.933 415 A HA -0.114 4.200 4.320 -0.011 0.000 0.218 415 A C 2.381 179.944 177.584 -0.035 0.000 1.175 415 A CA 2.099 54.123 52.037 -0.022 0.000 0.628 415 A CB -0.697 18.281 19.000 -0.036 0.000 0.814 415 A HN 0.582 nan 8.150 nan 0.000 0.444 416 A N -0.593 122.187 122.820 -0.068 0.000 1.968 416 A HA 0.296 4.610 4.320 -0.011 0.000 0.217 416 A C 2.354 179.849 177.584 -0.148 0.000 1.169 416 A CA 1.711 53.695 52.037 -0.088 0.000 0.638 416 A CB -0.645 18.307 19.000 -0.080 0.000 0.812 416 A HN 0.968 nan 8.150 nan 0.000 0.446 417 A N -1.782 120.908 122.820 -0.218 0.000 2.021 417 A HA 0.400 4.714 4.320 -0.011 0.000 0.216 417 A C 0.429 177.556 177.584 -0.763 0.000 1.163 417 A CA 0.490 52.223 52.037 -0.507 0.000 0.676 417 A CB -0.120 18.507 19.000 -0.622 0.000 0.818 417 A HN 0.414 nan 8.150 nan 0.000 0.453 418 F N 0.078 119.981 119.950 -0.079 0.000 2.584 418 F HA 0.332 4.853 4.527 -0.011 0.000 0.328 418 F C -2.795 172.969 175.800 -0.061 0.000 1.407 418 F CA -2.827 55.131 58.000 -0.069 0.000 1.145 418 F CB 0.829 39.779 39.000 -0.083 0.000 1.440 418 F HN -0.066 nan 8.300 nan 0.000 0.580 419 P HA 0.232 nan 4.420 nan 0.000 0.267 419 P C 1.019 178.338 177.300 0.032 0.000 1.205 419 P CA 0.931 64.042 63.100 0.019 0.000 0.765 419 P CB 1.010 32.702 31.700 -0.013 0.000 0.828 420 G N 2.565 111.377 108.800 0.021 0.000 2.225 420 G HA2 -0.238 3.715 3.960 -0.011 0.000 0.254 420 G HA3 -0.238 3.715 3.960 -0.011 0.000 0.254 420 G C 0.320 175.229 174.900 0.015 0.000 0.988 420 G CA 0.019 45.127 45.100 0.014 0.000 0.625 420 G HN 0.607 nan 8.290 nan 0.000 0.527 421 D N 1.657 122.075 120.400 0.029 0.000 2.545 421 D HA 0.372 5.006 4.640 -0.011 0.000 0.227 421 D C 2.114 178.405 176.300 -0.014 0.000 1.150 421 D CA 0.443 54.447 54.000 0.006 0.000 1.046 421 D CB 0.387 41.191 40.800 0.005 0.000 1.098 421 D HN 0.627 nan 8.370 nan 0.000 0.502 422 V N 0.789 120.696 119.914 -0.012 0.000 2.515 422 V HA -0.143 3.971 4.120 -0.011 0.000 0.250 422 V C 1.805 177.889 176.094 -0.018 0.000 1.058 422 V CA 1.531 63.823 62.300 -0.013 0.000 1.064 422 V CB -0.492 31.327 31.823 -0.007 0.000 0.675 422 V HN 0.229 nan 8.190 nan 0.000 0.461 423 D N 0.310 120.696 120.400 -0.024 0.000 2.183 423 D HA -0.151 4.483 4.640 -0.011 0.000 0.203 423 D C 2.334 178.609 176.300 -0.042 0.000 0.969 423 D CA 1.174 55.160 54.000 -0.023 0.000 0.842 423 D CB -0.198 40.589 40.800 -0.021 0.000 0.957 423 D HN 0.426 nan 8.370 nan 0.000 0.484 424 R N -0.146 120.306 120.500 -0.080 0.000 2.096 424 R HA -0.089 4.244 4.340 -0.011 0.000 0.235 424 R C 2.212 178.447 176.300 -0.108 0.000 1.127 424 R CA 0.865 56.882 56.100 -0.139 0.000 0.968 424 R CB -0.221 29.935 30.300 -0.239 0.000 0.861 424 R HN 0.259 nan 8.270 nan 0.000 0.440 425 L N 0.170 121.353 121.223 -0.066 0.000 2.012 425 L HA -0.199 4.135 4.340 -0.011 0.000 0.210 425 L C 2.911 179.786 176.870 0.008 0.000 1.073 425 L CA 1.632 56.452 54.840 -0.034 0.000 0.748 425 L CB -0.561 41.486 42.059 -0.019 0.000 0.891 425 L HN 0.272 nan 8.230 nan 0.000 0.431 426 R N 0.444 120.953 120.500 0.015 0.000 2.083 426 R HA -0.166 4.167 4.340 -0.011 0.000 0.237 426 R C 2.483 178.831 176.300 0.080 0.000 1.137 426 R CA 1.522 57.650 56.100 0.047 0.000 0.951 426 R CB -0.088 30.233 30.300 0.035 0.000 0.851 426 R HN 0.301 nan 8.270 nan 0.000 0.434 427 R N -0.387 120.144 120.500 0.052 0.000 2.115 427 R HA -0.053 4.281 4.340 -0.011 0.000 0.230 427 R C 2.150 178.534 176.300 0.140 0.000 1.111 427 R CA 1.606 57.762 56.100 0.095 0.000 0.976 427 R CB -0.096 30.224 30.300 0.034 0.000 0.870 427 R HN 0.333 nan 8.270 nan 0.000 0.445 428 M N 0.035 119.644 119.600 0.015 0.000 2.509 428 M HA 0.051 4.524 4.480 -0.011 0.000 0.250 428 M C 0.845 177.284 176.300 0.231 0.000 1.132 428 M CA -0.011 55.243 55.300 -0.076 0.000 1.080 428 M CB 0.470 32.873 32.600 -0.329 0.000 1.408 428 M HN -0.082 nan 8.290 nan 0.000 0.484 429 S N 1.150 117.002 115.700 0.254 0.000 2.558 429 S HA 0.063 4.526 4.470 -0.011 0.000 0.288 429 S C 1.171 176.018 174.600 0.411 0.000 1.318 429 S CA -0.245 58.132 58.200 0.296 0.000 1.056 429 S CB 0.565 63.886 63.200 0.203 0.000 0.853 429 S HN 0.360 nan 8.310 nan 0.000 0.505 430 L N 4.106 125.529 121.223 0.332 0.000 2.291 430 L HA 0.086 4.420 4.340 -0.011 0.000 0.214 430 L C 0.376 177.364 176.870 0.197 0.000 1.120 430 L CA 0.366 55.368 54.840 0.269 0.000 0.799 430 L CB -0.455 41.706 42.059 0.170 0.000 0.925 430 L HN 0.403 nan 8.230 nan 0.000 0.446 431 V N 0.927 120.965 119.914 0.208 0.000 2.383 431 V HA 0.150 4.264 4.120 -0.011 0.000 0.275 431 V C 0.144 176.330 176.094 0.153 0.000 1.036 431 V CA -0.542 61.869 62.300 0.185 0.000 0.889 431 V CB 1.303 33.264 31.823 0.229 0.000 0.985 431 V HN 0.178 nan 8.190 nan 0.000 0.459 432 E N 3.141 123.412 120.200 0.119 0.000 2.174 432 E HA 0.378 4.721 4.350 -0.011 0.000 0.282 432 E C -0.634 176.020 176.600 0.090 0.000 0.992 432 E CA -0.569 55.890 56.400 0.098 0.000 0.803 432 E CB 1.721 31.459 29.700 0.064 0.000 1.090 432 E HN 0.579 nan 8.360 nan 0.000 0.396 433 E N 0.995 121.244 120.200 0.081 0.000 2.318 433 E HA 0.632 4.976 4.350 -0.011 0.000 0.265 433 E C 0.072 176.709 176.600 0.062 0.000 1.069 433 E CA 0.177 56.619 56.400 0.069 0.000 0.893 433 E CB 1.549 31.283 29.700 0.057 0.000 1.076 433 E HN 0.651 nan 8.360 nan 0.000 0.414 434 G N 0.136 108.971 108.800 0.058 0.000 2.339 434 G HA2 0.281 4.234 3.960 -0.011 0.000 0.275 434 G HA3 0.281 4.234 3.960 -0.011 0.000 0.275 434 G C 0.362 175.295 174.900 0.055 0.000 1.323 434 G CA 0.232 45.363 45.100 0.052 0.000 0.927 434 G HN 0.570 nan 8.290 nan 0.000 0.486 435 A N -0.998 121.853 122.820 0.052 0.000 1.859 435 A HA 0.289 4.602 4.320 -0.011 0.000 0.217 435 A C 1.278 178.904 177.584 0.069 0.000 1.198 435 A CA 2.627 54.696 52.037 0.052 0.000 0.629 435 A CB -0.731 18.297 19.000 0.047 0.000 0.830 435 A HN 1.576 nan 8.150 nan 0.000 0.446 436 V N 0.498 120.463 119.914 0.085 0.000 2.384 436 V HA 0.259 4.372 4.120 -0.011 0.000 0.287 436 V C 0.112 176.276 176.094 0.117 0.000 1.020 436 V CA -0.778 61.595 62.300 0.122 0.000 0.850 436 V CB 1.351 33.263 31.823 0.149 0.000 0.987 436 V HN 0.466 nan 8.190 nan 0.000 0.436 437 K N 4.755 125.233 120.400 0.131 0.000 2.412 437 K HA 0.360 4.674 4.320 -0.011 0.000 0.281 437 K C -0.117 176.555 176.600 0.120 0.000 1.027 437 K CA 0.114 56.475 56.287 0.125 0.000 0.989 437 K CB 0.462 33.048 32.500 0.143 0.000 0.935 437 K HN 0.622 nan 8.250 nan 0.000 0.475 438 R N 3.174 123.734 120.500 0.100 0.000 2.837 438 R HA 0.454 4.788 4.340 -0.011 0.000 0.271 438 R C -0.835 175.511 176.300 0.076 0.000 0.993 438 R CA -1.039 55.109 56.100 0.081 0.000 0.931 438 R CB 1.277 31.605 30.300 0.047 0.000 1.206 438 R HN 0.422 nan 8.270 nan 0.000 0.474 439 I N 1.962 122.574 120.570 0.069 0.000 2.336 439 I HA 0.154 4.317 4.170 -0.011 0.000 0.292 439 I C -0.079 176.032 176.117 -0.010 0.000 0.991 439 I CA -0.691 60.639 61.300 0.049 0.000 1.227 439 I CB 1.047 39.075 38.000 0.045 0.000 1.366 439 I HN 0.500 nan 8.210 nan 0.000 0.466 440 N N 7.089 125.757 118.700 -0.053 0.000 2.402 440 N HA 0.101 4.835 4.740 -0.011 0.000 0.252 440 N C 0.764 176.181 175.510 -0.155 0.000 1.118 440 N CA -0.321 52.616 53.050 -0.187 0.000 0.945 440 N CB 0.995 39.244 38.487 -0.398 0.000 1.147 440 N HN 0.380 nan 8.380 nan 0.000 0.495 441 M N 2.421 121.928 119.600 -0.154 0.000 2.319 441 M HA -0.030 4.444 4.480 -0.011 0.000 0.265 441 M C 1.912 178.074 176.300 -0.230 0.000 1.068 441 M CA 0.603 55.829 55.300 -0.123 0.000 1.118 441 M CB -1.501 31.072 32.600 -0.045 0.000 1.395 441 M HN 0.603 nan 8.290 nan 0.000 0.435 442 A N -0.360 122.318 122.820 -0.237 0.000 1.902 442 A HA -0.173 4.141 4.320 -0.011 0.000 0.217 442 A C 1.989 179.355 177.584 -0.364 0.000 1.181 442 A CA 1.485 53.345 52.037 -0.294 0.000 0.623 442 A CB -1.121 17.902 19.000 0.037 0.000 0.818 442 A HN 0.588 nan 8.150 nan 0.000 0.443 443 H N -1.498 117.366 119.070 -0.343 0.000 2.353 443 H HA -0.104 4.446 4.556 -0.011 0.000 0.300 443 H C 2.100 177.212 175.328 -0.359 0.000 1.090 443 H CA 1.098 56.909 56.048 -0.396 0.000 1.327 443 H CB -0.034 29.707 29.762 -0.035 0.000 1.383 443 H HN 0.433 nan 8.280 nan 0.000 0.508 444 L N 0.688 121.835 121.223 -0.126 0.000 2.042 444 L HA -0.178 4.156 4.340 -0.011 0.000 0.210 444 L C 2.258 178.993 176.870 -0.226 0.000 1.076 444 L CA 1.474 56.234 54.840 -0.133 0.000 0.749 444 L CB -0.749 41.263 42.059 -0.078 0.000 0.893 444 L HN 0.297 nan 8.230 nan 0.000 0.432 445 C N -0.441 118.621 119.300 -0.395 0.000 2.429 445 C HA -0.111 4.343 4.460 -0.011 0.000 0.277 445 C C 2.698 177.428 174.990 -0.434 0.000 1.262 445 C CA 0.922 59.621 59.018 -0.532 0.000 1.733 445 C CB -0.932 26.102 27.740 -1.178 0.000 2.010 445 C HN 0.613 nan 8.230 nan 0.000 0.483 446 I N 1.462 121.733 120.570 -0.499 0.000 2.202 446 I HA -0.191 3.973 4.170 -0.011 0.000 0.242 446 I C 2.780 178.751 176.117 -0.244 0.000 1.091 446 I CA 1.634 62.685 61.300 -0.414 0.000 1.368 446 I CB -0.626 36.975 38.000 -0.665 0.000 1.058 446 I HN 0.254 nan 8.210 nan 0.000 0.410 447 A N 0.644 123.290 122.820 -0.290 0.000 1.908 447 A HA -0.139 4.175 4.320 -0.011 0.000 0.218 447 A C 2.205 179.836 177.584 0.078 0.000 1.181 447 A CA 2.023 53.930 52.037 -0.217 0.000 0.627 447 A CB -1.218 17.470 19.000 -0.520 0.000 0.818 447 A HN 0.496 nan 8.150 nan 0.000 0.445 448 G N -1.335 107.449 108.800 -0.028 0.000 3.337 448 G HA2 0.424 4.378 3.960 -0.011 0.000 0.246 448 G HA3 0.424 4.378 3.960 -0.011 0.000 0.246 448 G C 0.066 174.809 174.900 -0.262 0.000 1.131 448 G CA 0.483 45.457 45.100 -0.209 0.000 0.773 448 G HN 0.339 nan 8.290 nan 0.000 0.544 449 S N -0.296 115.303 115.700 -0.169 0.000 2.536 449 S HA 0.313 4.776 4.470 -0.011 0.000 0.298 449 S C 0.762 175.311 174.600 -0.085 0.000 1.083 449 S CA -0.709 57.416 58.200 -0.125 0.000 0.995 449 S CB 1.280 64.409 63.200 -0.118 0.000 1.058 449 S HN 0.504 nan 8.310 nan 0.000 0.488 450 H N 0.128 119.162 119.070 -0.059 0.000 2.548 450 H HA 0.461 5.011 4.556 -0.011 0.000 0.268 450 H C 0.146 175.467 175.328 -0.011 0.000 0.975 450 H CA 0.330 56.371 56.048 -0.011 0.000 1.195 450 H CB 0.161 29.928 29.762 0.009 0.000 1.397 450 H HN 0.502 nan 8.280 nan 0.000 0.572 451 A N 1.032 123.542 122.820 -0.516 0.000 2.455 451 A HA 0.558 4.872 4.320 -0.011 0.000 0.300 451 A C -1.387 175.999 177.584 -0.330 0.000 1.040 451 A CA -0.585 51.214 52.037 -0.395 0.000 0.697 451 A CB 2.273 21.011 19.000 -0.438 0.000 1.265 451 A HN 0.099 nan 8.150 nan 0.000 0.407 452 V N 4.163 123.849 119.914 -0.379 0.000 2.531 452 V HA 0.523 4.637 4.120 -0.011 0.000 0.301 452 V C -0.754 175.149 176.094 -0.317 0.000 1.034 452 V CA -0.781 61.282 62.300 -0.395 0.000 0.865 452 V CB 1.782 33.210 31.823 -0.658 0.000 0.995 452 V HN 1.007 nan 8.190 nan 0.000 0.424 453 N N 3.242 121.772 118.700 -0.284 0.000 2.240 453 N HA 0.604 5.337 4.740 -0.011 0.000 0.302 453 N C -0.226 175.177 175.510 -0.178 0.000 1.106 453 N CA -0.355 52.573 53.050 -0.203 0.000 0.778 453 N CB 2.867 41.217 38.487 -0.229 0.000 1.431 453 N HN 0.629 nan 8.380 nan 0.000 0.479 454 G N -0.682 108.053 108.800 -0.109 0.000 2.535 454 G HA2 0.425 4.379 3.960 -0.011 0.000 0.303 454 G HA3 0.425 4.379 3.960 -0.011 0.000 0.303 454 G C 0.742 175.703 174.900 0.102 0.000 1.237 454 G CA -0.411 44.682 45.100 -0.011 0.000 0.986 454 G HN 0.652 nan 8.290 nan 0.000 0.494 455 V N -4.032 116.059 119.914 0.295 0.000 3.477 455 V HA 0.706 4.819 4.120 -0.011 0.000 0.297 455 V C 0.548 176.722 176.094 0.133 0.000 1.433 455 V CA 0.462 62.847 62.300 0.141 0.000 1.052 455 V CB -0.637 31.220 31.823 0.058 0.000 0.895 455 V HN 1.307 nan 8.190 nan 0.000 0.438 456 A N 0.052 122.963 122.820 0.152 0.000 2.612 456 A HA 0.668 4.981 4.320 -0.011 0.000 0.293 456 A C 0.711 178.347 177.584 0.087 0.000 1.075 456 A CA -0.106 51.997 52.037 0.110 0.000 0.680 456 A CB 1.271 20.324 19.000 0.088 0.000 1.279 456 A HN 0.016 nan 8.150 nan 0.000 0.411 457 R N 0.515 121.046 120.500 0.052 0.000 2.083 457 R HA -0.137 4.197 4.340 -0.011 0.000 0.237 457 R C 1.641 177.944 176.300 0.004 0.000 1.137 457 R CA 2.204 58.313 56.100 0.015 0.000 0.951 457 R CB -0.239 30.065 30.300 0.006 0.000 0.851 457 R HN 0.811 nan 8.270 nan 0.000 0.434 458 I N 0.305 120.886 120.570 0.018 0.000 2.286 458 I HA -0.295 3.868 4.170 -0.011 0.000 0.248 458 I C 2.341 178.473 176.117 0.026 0.000 1.115 458 I CA 1.826 63.130 61.300 0.007 0.000 1.392 458 I CB -0.222 37.779 38.000 0.002 0.000 1.065 458 I HN 0.342 nan 8.210 nan 0.000 0.418 459 H N 0.278 119.322 119.070 -0.042 0.000 2.326 459 H HA -0.122 4.428 4.556 -0.011 0.000 0.301 459 H C 2.284 177.584 175.328 -0.047 0.000 1.081 459 H CA 2.194 58.214 56.048 -0.047 0.000 1.334 459 H CB -0.259 29.480 29.762 -0.037 0.000 1.385 459 H HN 0.236 nan 8.280 nan 0.000 0.504 460 S N 0.359 115.964 115.700 -0.158 0.000 2.382 460 S HA -0.129 4.335 4.470 -0.011 0.000 0.228 460 S C 1.895 176.385 174.600 -0.182 0.000 1.027 460 S CA 1.214 59.294 58.200 -0.200 0.000 0.991 460 S CB -0.074 63.072 63.200 -0.091 0.000 0.823 460 S HN 0.488 nan 8.310 nan 0.000 0.469 461 E N 1.196 121.310 120.200 -0.144 0.000 2.072 461 E HA -0.016 4.328 4.350 -0.011 0.000 0.191 461 E C 2.042 178.536 176.600 -0.176 0.000 0.985 461 E CA 0.692 56.997 56.400 -0.159 0.000 0.801 461 E CB -0.417 29.220 29.700 -0.106 0.000 0.750 461 E HN 0.505 nan 8.360 nan 0.000 0.452 462 I N 1.085 121.567 120.570 -0.147 0.000 2.264 462 I HA -0.282 3.882 4.170 -0.011 0.000 0.248 462 I C 2.420 178.422 176.117 -0.192 0.000 1.111 462 I CA 0.809 62.025 61.300 -0.139 0.000 1.382 462 I CB -0.254 37.697 38.000 -0.082 0.000 1.060 462 I HN 0.058 nan 8.210 nan 0.000 0.418 463 L N 0.377 121.452 121.223 -0.246 0.000 2.042 463 L HA -0.242 4.091 4.340 -0.011 0.000 0.210 463 L C 2.473 179.237 176.870 -0.177 0.000 1.076 463 L CA 1.631 56.343 54.840 -0.213 0.000 0.749 463 L CB -0.603 41.401 42.059 -0.092 0.000 0.893 463 L HN 0.219 nan 8.230 nan 0.000 0.432 464 K N -0.192 120.025 120.400 -0.304 0.000 2.217 464 K HA -0.095 4.219 4.320 -0.011 0.000 0.202 464 K C 2.011 178.412 176.600 -0.332 0.000 1.051 464 K CA 0.821 56.786 56.287 -0.538 0.000 0.952 464 K CB 0.088 32.007 32.500 -0.968 0.000 0.736 464 K HN 0.285 nan 8.250 nan 0.000 0.453 465 K N -0.033 120.231 120.400 -0.226 0.000 2.284 465 K HA -0.016 4.297 4.320 -0.011 0.000 0.198 465 K C 1.927 178.473 176.600 -0.089 0.000 1.048 465 K CA 1.353 57.560 56.287 -0.134 0.000 0.987 465 K CB 0.513 32.944 32.500 -0.116 0.000 0.800 465 K HN 0.249 nan 8.250 nan 0.000 0.486 466 T N -1.200 113.291 114.554 -0.105 0.000 3.330 466 T HA 0.060 4.404 4.350 -0.011 0.000 0.185 466 T C 1.962 176.611 174.700 -0.084 0.000 0.874 466 T CA -0.010 62.039 62.100 -0.085 0.000 1.268 466 T CB -0.764 68.049 68.868 -0.092 0.000 1.866 466 T HN 0.110 nan 8.240 nan 0.000 0.395 467 I N -0.982 119.472 120.570 -0.193 0.000 2.361 467 I HA 0.222 4.386 4.170 -0.011 0.000 0.251 467 I C 1.420 177.469 176.117 -0.115 0.000 1.133 467 I CA 1.361 62.503 61.300 -0.264 0.000 1.413 467 I CB -0.572 37.121 38.000 -0.513 0.000 1.073 467 I HN 0.255 nan 8.210 nan 0.000 0.424 468 F N 0.858 120.883 119.950 0.126 0.000 2.708 468 F HA 0.337 4.857 4.527 -0.011 0.000 0.300 468 F C 2.008 177.900 175.800 0.152 0.000 1.118 468 F CA -0.628 57.517 58.000 0.242 0.000 1.307 468 F CB 0.139 39.294 39.000 0.257 0.000 0.986 468 F HN -0.091 nan 8.300 nan 0.000 0.522 469 K N 1.106 121.617 120.400 0.186 0.000 2.059 469 K HA -0.234 4.080 4.320 -0.011 0.000 0.212 469 K C 1.354 178.014 176.600 0.100 0.000 1.050 469 K CA 2.280 58.622 56.287 0.091 0.000 0.927 469 K CB -0.041 32.477 32.500 0.030 0.000 0.714 469 K HN 0.164 nan 8.250 nan 0.000 0.447 470 D N -0.190 120.249 120.400 0.064 0.000 2.123 470 D HA -0.167 4.467 4.640 -0.011 0.000 0.196 470 D C 1.829 178.050 176.300 -0.131 0.000 0.992 470 D CA 1.286 55.199 54.000 -0.145 0.000 0.833 470 D CB -0.315 40.309 40.800 -0.293 0.000 0.954 470 D HN 0.251 nan 8.370 nan 0.000 0.455 471 F N -0.223 119.806 119.950 0.133 0.000 2.186 471 F HA -0.140 4.381 4.527 -0.011 0.000 0.299 471 F C 2.344 178.286 175.800 0.237 0.000 1.090 471 F CA 0.509 58.666 58.000 0.261 0.000 1.307 471 F CB -0.642 38.591 39.000 0.388 0.000 1.019 471 F HN -0.032 nan 8.300 nan 0.000 0.489 472 Y N 1.340 121.612 120.300 -0.047 0.000 2.224 472 Y HA -0.196 4.348 4.550 -0.010 0.000 0.289 472 Y C 2.139 178.014 175.900 -0.042 0.000 1.146 472 Y CA 1.602 59.483 58.100 -0.365 0.000 1.182 472 Y CB -0.624 37.441 38.460 -0.658 0.000 0.983 472 Y HN 0.127 nan 8.280 nan 0.000 0.524 473 E N -0.343 119.797 120.200 -0.100 0.000 2.077 473 E HA -0.216 4.127 4.350 -0.011 0.000 0.193 473 E C 2.022 178.671 176.600 0.082 0.000 0.989 473 E CA 1.328 57.685 56.400 -0.072 0.000 0.800 473 E CB -0.307 29.385 29.700 -0.012 0.000 0.746 473 E HN 0.437 nan 8.360 nan 0.000 0.452 474 L N 0.886 122.201 121.223 0.153 0.000 2.072 474 L HA -0.066 4.268 4.340 -0.011 0.000 0.205 474 L C 0.254 177.205 176.870 0.135 0.000 1.079 474 L CA 1.673 56.640 54.840 0.211 0.000 0.752 474 L CB 0.349 42.526 42.059 0.196 0.000 0.906 474 L HN -0.081 nan 8.230 nan 0.000 0.436 475 E N -0.289 119.985 120.200 0.125 0.000 3.386 475 E HA 0.175 4.519 4.350 -0.011 0.000 0.236 475 E C -1.997 174.545 176.600 -0.097 0.000 1.227 475 E CA -1.210 55.180 56.400 -0.016 0.000 0.970 475 E CB 0.760 30.460 29.700 0.000 0.000 1.343 475 E HN 0.201 nan 8.360 nan 0.000 0.397 476 P HA -0.244 nan 4.420 nan 0.000 0.218 476 P C 1.215 178.608 177.300 0.155 0.000 1.148 476 P CA 1.389 64.405 63.100 -0.140 0.000 0.822 476 P CB -0.061 31.458 31.700 -0.302 0.000 0.784 477 H N 0.136 119.314 119.070 0.179 0.000 2.489 477 H HA 0.064 4.613 4.556 -0.011 0.000 0.293 477 H C 1.480 176.904 175.328 0.160 0.000 1.066 477 H CA 0.776 56.918 56.048 0.156 0.000 1.305 477 H CB -0.669 29.155 29.762 0.103 0.000 1.386 477 H HN 0.162 nan 8.280 nan 0.000 0.551 478 K N 0.329 120.645 120.400 -0.141 0.000 2.217 478 K HA 0.026 4.339 4.320 -0.011 0.000 0.202 478 K C -0.122 176.364 176.600 -0.191 0.000 1.051 478 K CA 0.328 56.519 56.287 -0.160 0.000 0.952 478 K CB 0.082 32.369 32.500 -0.355 0.000 0.736 478 K HN 0.114 nan 8.250 nan 0.000 0.453 479 F N 1.733 121.713 119.950 0.049 0.000 2.420 479 F HA 0.176 4.697 4.527 -0.011 0.000 0.352 479 F C 0.480 176.285 175.800 0.007 0.000 1.108 479 F CA -0.237 57.792 58.000 0.048 0.000 1.162 479 F CB 0.976 40.058 39.000 0.137 0.000 1.118 479 F HN -0.108 nan 8.300 nan 0.000 0.510 480 Q N 1.823 121.655 119.800 0.053 0.000 2.528 480 Q HA 0.344 4.678 4.340 -0.011 0.000 0.289 480 Q C -1.164 174.799 176.000 -0.062 0.000 1.091 480 Q CA -1.246 54.542 55.803 -0.025 0.000 0.797 480 Q CB 3.115 31.785 28.738 -0.114 0.000 1.466 480 Q HN 0.618 nan 8.270 nan 0.000 0.436 481 N N 0.760 119.407 118.700 -0.087 0.000 2.314 481 N HA 0.276 5.009 4.740 -0.011 0.000 0.304 481 N C -1.428 173.988 175.510 -0.156 0.000 1.073 481 N CA -0.389 52.606 53.050 -0.093 0.000 0.822 481 N CB 0.977 39.431 38.487 -0.054 0.000 1.280 481 N HN 0.276 nan 8.380 nan 0.000 0.489 482 K N 2.722 123.031 120.400 -0.152 0.000 2.723 482 K HA 0.185 4.499 4.320 -0.011 0.000 0.229 482 K C -0.963 175.645 176.600 0.013 0.000 1.022 482 K CA -0.497 55.679 56.287 -0.186 0.000 1.045 482 K CB 1.295 33.468 32.500 -0.544 0.000 1.227 482 K HN 0.540 nan 8.250 nan 0.000 0.516 483 T N 2.123 116.704 114.554 0.046 0.000 2.902 483 T HA 0.058 4.402 4.350 -0.011 0.000 0.301 483 T C 0.789 175.617 174.700 0.213 0.000 1.012 483 T CA 0.316 62.494 62.100 0.130 0.000 1.151 483 T CB 0.286 69.236 68.868 0.135 0.000 0.946 483 T HN 0.360 nan 8.240 nan 0.000 0.542 484 N N 0.602 119.448 118.700 0.243 0.000 2.267 484 N HA 0.394 5.128 4.740 -0.011 0.000 0.226 484 N C 0.468 176.165 175.510 0.311 0.000 1.314 484 N CA -0.137 53.089 53.050 0.294 0.000 0.887 484 N CB 0.382 38.983 38.487 0.190 0.000 1.120 484 N HN 0.762 nan 8.380 nan 0.000 0.440 485 G N -0.625 108.368 108.800 0.321 0.000 2.645 485 G HA2 0.597 4.551 3.960 -0.011 0.000 0.292 485 G HA3 0.597 4.551 3.960 -0.011 0.000 0.292 485 G C -1.394 173.641 174.900 0.224 0.000 1.415 485 G CA -0.749 44.524 45.100 0.288 0.000 0.785 485 G HN 0.596 nan 8.290 nan 0.000 0.483 486 I N -2.316 118.368 120.570 0.191 0.000 2.785 486 I HA 0.760 4.924 4.170 -0.011 0.000 0.302 486 I C -0.169 176.102 176.117 0.257 0.000 1.069 486 I CA -0.963 60.441 61.300 0.173 0.000 1.045 486 I CB 2.457 40.451 38.000 -0.010 0.000 1.236 486 I HN 0.489 nan 8.210 nan 0.000 0.429 487 T N 3.939 118.702 114.554 0.348 0.000 2.794 487 T HA 0.373 4.716 4.350 -0.011 0.000 0.296 487 T C -1.496 173.323 174.700 0.199 0.000 0.949 487 T CA -1.632 60.600 62.100 0.220 0.000 1.101 487 T CB 0.794 69.739 68.868 0.129 0.000 0.905 487 T HN 0.633 nan 8.240 nan 0.000 0.516 488 P HA 0.085 nan 4.420 nan 0.000 0.237 488 P C 1.048 178.315 177.300 -0.055 0.000 1.178 488 P CA 0.241 63.377 63.100 0.060 0.000 0.766 488 P CB 0.346 32.068 31.700 0.036 0.000 0.876 489 R N 0.423 120.847 120.500 -0.127 0.000 2.056 489 R HA 0.024 4.357 4.340 -0.011 0.000 0.227 489 R C 2.660 178.840 176.300 -0.200 0.000 1.149 489 R CA 1.493 57.477 56.100 -0.194 0.000 0.937 489 R CB -1.205 28.984 30.300 -0.186 0.000 0.835 489 R HN 0.034 nan 8.270 nan 0.000 0.430 490 R N -0.811 119.513 120.500 -0.294 0.000 2.081 490 R HA -0.131 4.203 4.340 -0.011 0.000 0.235 490 R C 1.004 176.943 176.300 -0.602 0.000 1.131 490 R CA 1.733 57.490 56.100 -0.572 0.000 0.960 490 R CB -0.150 29.599 30.300 -0.918 0.000 0.856 490 R HN 0.302 nan 8.270 nan 0.000 0.436 491 W N -0.545 120.710 121.300 -0.074 0.000 3.316 491 W HA 0.178 4.831 4.660 -0.011 0.000 0.327 491 W C 0.921 177.408 176.519 -0.054 0.000 1.232 491 W CA -0.716 56.583 57.345 -0.076 0.000 1.805 491 W CB 0.469 29.887 29.460 -0.070 0.000 1.090 491 W HN 0.210 nan 8.180 nan 0.000 0.654 492 L N -2.167 119.106 121.223 0.084 0.000 2.681 492 L HA 0.194 4.528 4.340 -0.011 0.000 0.163 492 L C 1.770 178.651 176.870 0.019 0.000 1.188 492 L CA 0.787 55.672 54.840 0.075 0.000 0.944 492 L CB -0.815 41.316 42.059 0.120 0.000 1.835 492 L HN -0.247 nan 8.230 nan 0.000 0.510 493 V N 1.029 120.931 119.914 -0.020 0.000 2.295 493 V HA -0.263 3.850 4.120 -0.011 0.000 0.246 493 V C 2.430 178.494 176.094 -0.050 0.000 1.049 493 V CA 2.436 64.716 62.300 -0.033 0.000 1.024 493 V CB -0.651 31.125 31.823 -0.079 0.000 0.648 493 V HN 0.500 nan 8.190 nan 0.000 0.447 494 L N 0.486 121.649 121.223 -0.100 0.000 2.023 494 L HA -0.178 4.156 4.340 -0.011 0.000 0.205 494 L C 2.500 179.303 176.870 -0.112 0.000 1.073 494 L CA 2.375 57.139 54.840 -0.126 0.000 0.745 494 L CB -0.268 41.664 42.059 -0.211 0.000 0.900 494 L HN 0.645 nan 8.230 nan 0.000 0.435 495 C N -1.755 117.472 119.300 -0.121 0.000 2.563 495 C HA 0.200 4.654 4.460 -0.011 0.000 0.268 495 C C 1.197 176.167 174.990 -0.033 0.000 1.365 495 C CA -0.262 58.703 59.018 -0.089 0.000 1.754 495 C CB -1.019 26.666 27.740 -0.091 0.000 1.932 495 C HN 0.600 nan 8.230 nan 0.000 0.536 496 N N 1.089 119.781 118.700 -0.014 0.000 2.703 496 N HA 0.281 5.014 4.740 -0.011 0.000 0.283 496 N C -1.778 173.742 175.510 0.016 0.000 1.851 496 N CA -1.560 51.495 53.050 0.007 0.000 0.826 496 N CB 0.733 39.234 38.487 0.022 0.000 1.239 496 N HN 0.233 nan 8.380 nan 0.000 0.495 497 P HA -0.052 nan 4.420 nan 0.000 0.217 497 P C 1.426 178.741 177.300 0.024 0.000 1.150 497 P CA 0.959 64.069 63.100 0.016 0.000 0.832 497 P CB 0.214 31.916 31.700 0.004 0.000 0.787 498 G N 0.658 109.467 108.800 0.015 0.000 2.446 498 G HA2 -0.261 3.692 3.960 -0.011 0.000 0.217 498 G HA3 -0.261 3.692 3.960 -0.011 0.000 0.217 498 G C 1.542 176.450 174.900 0.013 0.000 1.168 498 G CA 0.772 45.878 45.100 0.011 0.000 0.771 498 G HN 0.249 nan 8.290 nan 0.000 0.551 499 L N 1.245 122.478 121.223 0.016 0.000 2.056 499 L HA 0.251 4.584 4.340 -0.011 0.000 0.207 499 L C 3.097 179.998 176.870 0.052 0.000 1.078 499 L CA 1.996 56.846 54.840 0.017 0.000 0.749 499 L CB -0.738 41.331 42.059 0.017 0.000 0.901 499 L HN 0.237 nan 8.230 nan 0.000 0.433 500 A N -0.803 122.068 122.820 0.086 0.000 1.940 500 A HA -0.267 4.047 4.320 -0.011 0.000 0.219 500 A C 2.251 179.930 177.584 0.159 0.000 1.176 500 A CA 1.892 54.030 52.037 0.169 0.000 0.631 500 A CB -0.649 18.441 19.000 0.150 0.000 0.814 500 A HN 0.542 nan 8.150 nan 0.000 0.446 501 E N 0.545 120.800 120.200 0.091 0.000 2.046 501 E HA -0.136 4.207 4.350 -0.011 0.000 0.190 501 E C 1.853 178.491 176.600 0.064 0.000 0.982 501 E CA 1.455 57.899 56.400 0.073 0.000 0.800 501 E CB -0.486 29.239 29.700 0.043 0.000 0.756 501 E HN 0.742 nan 8.360 nan 0.000 0.449 502 I N -1.673 118.930 120.570 0.055 0.000 2.394 502 I HA -0.142 4.022 4.170 -0.011 0.000 0.251 502 I C 2.092 178.279 176.117 0.117 0.000 1.136 502 I CA 1.088 62.434 61.300 0.077 0.000 1.425 502 I CB -0.362 37.666 38.000 0.047 0.000 1.079 502 I HN 0.016 nan 8.210 nan 0.000 0.425 503 I N 2.071 122.684 120.570 0.072 0.000 2.202 503 I HA -0.202 3.961 4.170 -0.011 0.000 0.242 503 I C 3.037 179.101 176.117 -0.088 0.000 1.091 503 I CA 1.417 62.678 61.300 -0.065 0.000 1.368 503 I CB -0.542 37.294 38.000 -0.273 0.000 1.058 503 I HN 0.295 nan 8.210 nan 0.000 0.410 504 A N 0.389 123.250 122.820 0.069 0.000 1.933 504 A HA -0.231 4.082 4.320 -0.011 0.000 0.218 504 A C 2.171 179.784 177.584 0.049 0.000 1.175 504 A CA 1.647 53.775 52.037 0.151 0.000 0.628 504 A CB -0.631 18.492 19.000 0.205 0.000 0.814 504 A HN 0.458 nan 8.150 nan 0.000 0.444 505 E N -0.802 119.409 120.200 0.017 0.000 2.160 505 E HA -0.206 4.137 4.350 -0.011 0.000 0.195 505 E C 2.169 178.733 176.600 -0.061 0.000 0.991 505 E CA 1.063 57.458 56.400 -0.008 0.000 0.810 505 E CB -0.043 29.658 29.700 0.001 0.000 0.742 505 E HN 0.418 nan 8.360 nan 0.000 0.466 506 R N 0.058 120.466 120.500 -0.152 0.000 2.087 506 R HA 0.090 4.424 4.340 -0.011 0.000 0.216 506 R C 2.274 178.492 176.300 -0.137 0.000 1.114 506 R CA 0.826 56.759 56.100 -0.279 0.000 1.002 506 R CB -0.269 29.554 30.300 -0.795 0.000 0.903 506 R HN 0.321 nan 8.270 nan 0.000 0.445 507 I N -3.085 117.421 120.570 -0.106 0.000 4.081 507 I HA 0.455 4.619 4.170 -0.011 0.000 0.333 507 I C 0.417 176.570 176.117 0.060 0.000 1.413 507 I CA 0.055 61.343 61.300 -0.019 0.000 1.110 507 I CB 0.738 38.709 38.000 -0.048 0.000 1.082 507 I HN 0.167 nan 8.210 nan 0.000 0.402 508 G N 2.073 110.919 108.800 0.076 0.000 2.725 508 G HA2 -0.233 3.721 3.960 -0.011 0.000 0.220 508 G HA3 -0.233 3.721 3.960 -0.011 0.000 0.220 508 G C -0.006 175.021 174.900 0.212 0.000 1.357 508 G CA 0.258 45.425 45.100 0.112 0.000 0.866 508 G HN 0.455 nan 8.290 nan 0.000 0.548 509 E N -0.507 119.775 120.200 0.137 0.000 2.476 509 E HA 0.072 4.416 4.350 -0.011 0.000 0.199 509 E C 1.889 178.452 176.600 -0.062 0.000 1.021 509 E CA -0.022 56.411 56.400 0.054 0.000 0.907 509 E CB 0.234 29.951 29.700 0.029 0.000 0.974 509 E HN 0.455 nan 8.360 nan 0.000 0.489 510 E N 0.539 120.766 120.200 0.046 0.000 2.265 510 E HA -0.177 4.166 4.350 -0.011 0.000 0.196 510 E C 1.643 178.239 176.600 -0.008 0.000 0.996 510 E CA 0.803 57.218 56.400 0.024 0.000 0.832 510 E CB 0.020 29.756 29.700 0.060 0.000 0.756 510 E HN 0.501 nan 8.360 nan 0.000 0.491 511 Y N -1.171 119.132 120.300 0.006 0.000 2.421 511 Y HA -0.033 4.512 4.550 -0.009 0.000 0.292 511 Y C 1.946 177.823 175.900 -0.038 0.000 1.136 511 Y CA 0.548 58.644 58.100 -0.008 0.000 1.255 511 Y CB -0.771 37.688 38.460 -0.002 0.000 0.991 511 Y HN -0.090 nan 8.280 nan 0.000 0.552 512 I N 0.906 120.988 120.570 -0.813 0.000 2.361 512 I HA -0.231 3.933 4.170 -0.011 0.000 0.251 512 I C 1.729 177.582 176.117 -0.441 0.000 1.133 512 I CA 1.813 62.678 61.300 -0.724 0.000 1.413 512 I CB -0.343 37.151 38.000 -0.844 0.000 1.073 512 I HN 0.472 nan 8.210 nan 0.000 0.424 513 S N -2.013 113.535 115.700 -0.254 0.000 2.663 513 S HA 0.183 4.647 4.470 -0.011 0.000 0.243 513 S C 0.112 174.692 174.600 -0.033 0.000 1.009 513 S CA -0.494 57.638 58.200 -0.114 0.000 0.988 513 S CB 0.276 63.475 63.200 -0.001 0.000 0.896 513 S HN 0.290 nan 8.310 nan 0.000 0.502 514 D N 0.660 121.050 120.400 -0.017 0.000 2.934 514 D HA 0.223 4.856 4.640 -0.011 0.000 0.249 514 D C 0.277 176.617 176.300 0.066 0.000 1.293 514 D CA -0.383 53.632 54.000 0.025 0.000 0.812 514 D CB 0.413 41.233 40.800 0.033 0.000 1.439 514 D HN 0.113 nan 8.370 nan 0.000 0.555 515 L N 1.271 122.534 121.223 0.066 0.000 2.362 515 L HA 0.032 4.366 4.340 -0.011 0.000 0.219 515 L C 1.403 178.326 176.870 0.088 0.000 1.134 515 L CA 1.430 56.340 54.840 0.117 0.000 0.807 515 L CB -0.067 42.055 42.059 0.104 0.000 0.927 515 L HN 0.251 nan 8.230 nan 0.000 0.447 516 D N -0.584 119.843 120.400 0.045 0.000 2.265 516 D HA -0.224 4.410 4.640 -0.011 0.000 0.208 516 D C 1.912 178.233 176.300 0.035 0.000 0.977 516 D CA 0.843 54.856 54.000 0.022 0.000 0.871 516 D CB 0.058 40.859 40.800 0.001 0.000 0.925 516 D HN 0.556 nan 8.370 nan 0.000 0.485 517 Q N -0.156 119.683 119.800 0.065 0.000 2.364 517 Q HA -0.029 4.305 4.340 -0.011 0.000 0.207 517 Q C 2.281 178.301 176.000 0.033 0.000 0.970 517 Q CA 0.213 56.055 55.803 0.065 0.000 0.888 517 Q CB 0.056 28.862 28.738 0.114 0.000 0.951 517 Q HN 0.391 nan 8.270 nan 0.000 0.469 518 L N 0.248 121.485 121.223 0.024 0.000 2.261 518 L HA -0.200 4.134 4.340 -0.011 0.000 0.216 518 L C 2.277 179.143 176.870 -0.006 0.000 1.114 518 L CA 0.916 55.737 54.840 -0.031 0.000 0.777 518 L CB -0.395 41.658 42.059 -0.009 0.000 0.910 518 L HN 0.222 nan 8.230 nan 0.000 0.440 519 R N 0.392 120.898 120.500 0.010 0.000 2.139 519 R HA -0.190 4.144 4.340 -0.011 0.000 0.243 519 R C 2.111 178.416 176.300 0.007 0.000 1.145 519 R CA 1.143 57.249 56.100 0.010 0.000 0.976 519 R CB -0.267 30.036 30.300 0.005 0.000 0.866 519 R HN 0.417 nan 8.270 nan 0.000 0.449 520 K N 0.650 121.054 120.400 0.007 0.000 2.281 520 K HA -0.117 4.196 4.320 -0.011 0.000 0.203 520 K C 1.903 178.534 176.600 0.052 0.000 1.046 520 K CA 0.922 57.219 56.287 0.017 0.000 0.938 520 K CB -0.128 32.388 32.500 0.027 0.000 0.737 520 K HN 0.229 nan 8.250 nan 0.000 0.458 521 L N 0.536 121.780 121.223 0.035 0.000 2.362 521 L HA -0.143 4.190 4.340 -0.011 0.000 0.219 521 L C 1.817 178.744 176.870 0.095 0.000 1.134 521 L CA 0.078 54.957 54.840 0.065 0.000 0.807 521 L CB -0.280 41.778 42.059 -0.003 0.000 0.927 521 L HN 0.122 nan 8.230 nan 0.000 0.447 522 L N -0.433 120.815 121.223 0.041 0.000 2.191 522 L HA -0.166 4.167 4.340 -0.011 0.000 0.212 522 L C 2.476 179.325 176.870 -0.034 0.000 1.103 522 L CA 1.429 56.281 54.840 0.019 0.000 0.769 522 L CB -0.970 41.091 42.059 0.002 0.000 0.908 522 L HN 0.146 nan 8.230 nan 0.000 0.438 523 S N -1.842 113.787 115.700 -0.119 0.000 2.555 523 S HA -0.069 4.394 4.470 -0.011 0.000 0.230 523 S C 1.042 175.353 174.600 -0.483 0.000 0.978 523 S CA 0.469 58.479 58.200 -0.317 0.000 0.934 523 S CB -0.237 62.693 63.200 -0.450 0.000 0.766 523 S HN 0.466 nan 8.310 nan 0.000 0.533 524 Y N -1.064 119.168 120.300 -0.114 0.000 2.531 524 Y HA 0.350 4.898 4.550 -0.004 0.000 0.249 524 Y C 1.694 177.631 175.900 0.063 0.000 1.168 524 Y CA -0.454 57.581 58.100 -0.108 0.000 1.226 524 Y CB 0.022 38.214 38.460 -0.447 0.000 1.177 524 Y HN 0.082 nan 8.280 nan 0.000 0.527 525 V N 0.449 120.453 119.914 0.150 0.000 2.720 525 V HA -0.201 3.913 4.120 -0.011 0.000 0.256 525 V C 0.912 177.073 176.094 0.112 0.000 1.082 525 V CA 2.151 64.539 62.300 0.147 0.000 1.101 525 V CB -0.036 31.837 31.823 0.084 0.000 0.693 525 V HN 0.365 nan 8.190 nan 0.000 0.479 526 D N -0.857 119.590 120.400 0.079 0.000 2.395 526 D HA 0.105 4.739 4.640 -0.011 0.000 0.213 526 D C 0.383 176.731 176.300 0.080 0.000 1.110 526 D CA -0.030 54.006 54.000 0.060 0.000 0.835 526 D CB 0.167 40.980 40.800 0.021 0.000 0.965 526 D HN 0.423 nan 8.370 nan 0.000 0.505 527 D N 1.547 122.030 120.400 0.139 0.000 2.338 527 D HA -0.020 4.614 4.640 -0.011 0.000 0.255 527 D C 1.124 177.530 176.300 0.178 0.000 1.237 527 D CA 0.015 54.119 54.000 0.175 0.000 0.883 527 D CB 1.606 42.586 40.800 0.301 0.000 1.087 527 D HN -0.185 nan 8.370 nan 0.000 0.485 528 E N 3.158 123.426 120.200 0.115 0.000 2.110 528 E HA -0.145 4.199 4.350 -0.011 0.000 0.193 528 E C 1.758 178.412 176.600 0.090 0.000 0.988 528 E CA 1.355 57.806 56.400 0.085 0.000 0.804 528 E CB -0.001 29.732 29.700 0.055 0.000 0.745 528 E HN 0.600 nan 8.360 nan 0.000 0.458 529 A N -0.191 122.697 122.820 0.114 0.000 1.858 529 A HA -0.163 4.150 4.320 -0.011 0.000 0.216 529 A C 2.231 179.898 177.584 0.138 0.000 1.190 529 A CA 1.413 53.515 52.037 0.108 0.000 0.617 529 A CB -1.043 18.024 19.000 0.112 0.000 0.827 529 A HN 0.435 nan 8.150 nan 0.000 0.443 530 F N 0.433 120.397 119.950 0.022 0.000 2.102 530 F HA -0.192 4.330 4.527 -0.010 0.000 0.298 530 F C 2.096 177.900 175.800 0.006 0.000 1.105 530 F CA 1.785 59.782 58.000 -0.006 0.000 1.239 530 F CB -0.161 38.843 39.000 0.007 0.000 0.991 530 F HN 0.175 nan 8.300 nan 0.000 0.474 531 I N 0.212 120.809 120.570 0.045 0.000 2.145 531 I HA -0.395 3.769 4.170 -0.011 0.000 0.244 531 I C 2.595 178.655 176.117 -0.094 0.000 1.075 531 I CA 1.867 63.139 61.300 -0.046 0.000 1.332 531 I CB -0.557 37.465 38.000 0.036 0.000 1.033 531 I HN 0.126 nan 8.210 nan 0.000 0.410 532 R N 0.827 121.298 120.500 -0.049 0.000 2.081 532 R HA -0.192 4.141 4.340 -0.011 0.000 0.235 532 R C 1.890 178.136 176.300 -0.090 0.000 1.131 532 R CA 1.955 58.024 56.100 -0.052 0.000 0.960 532 R CB -0.144 30.146 30.300 -0.018 0.000 0.856 532 R HN 0.295 nan 8.270 nan 0.000 0.436 533 D N -0.237 120.088 120.400 -0.125 0.000 2.117 533 D HA -0.116 4.518 4.640 -0.011 0.000 0.198 533 D C 1.951 178.115 176.300 -0.227 0.000 0.982 533 D CA 1.184 55.095 54.000 -0.149 0.000 0.828 533 D CB -0.155 40.572 40.800 -0.121 0.000 0.967 533 D HN 0.089 nan 8.370 nan 0.000 0.464 534 V N 1.464 121.145 119.914 -0.389 0.000 2.287 534 V HA -0.249 3.864 4.120 -0.011 0.000 0.248 534 V C 2.518 178.514 176.094 -0.163 0.000 1.053 534 V CA 1.910 63.999 62.300 -0.351 0.000 1.027 534 V CB -0.802 30.733 31.823 -0.481 0.000 0.646 534 V HN 0.189 nan 8.190 nan 0.000 0.447 535 A N -0.481 122.265 122.820 -0.124 0.000 1.930 535 A HA -0.231 4.083 4.320 -0.011 0.000 0.217 535 A C 2.356 179.903 177.584 -0.063 0.000 1.175 535 A CA 1.995 53.994 52.037 -0.064 0.000 0.627 535 A CB -0.447 18.521 19.000 -0.053 0.000 0.815 535 A HN 0.528 nan 8.150 nan 0.000 0.443 536 K N -0.166 120.192 120.400 -0.071 0.000 2.057 536 K HA -0.078 4.235 4.320 -0.011 0.000 0.206 536 K C 1.786 178.358 176.600 -0.046 0.000 1.050 536 K CA 1.546 57.801 56.287 -0.054 0.000 0.935 536 K CB -0.236 32.234 32.500 -0.050 0.000 0.715 536 K HN 0.225 nan 8.250 nan 0.000 0.439 537 V N 1.717 121.597 119.914 -0.056 0.000 2.343 537 V HA -0.229 3.885 4.120 -0.011 0.000 0.247 537 V C 2.375 178.453 176.094 -0.027 0.000 1.051 537 V CA 1.929 64.206 62.300 -0.039 0.000 1.036 537 V CB -0.440 31.353 31.823 -0.050 0.000 0.654 537 V HN 0.346 nan 8.190 nan 0.000 0.451 538 K N 0.479 120.860 120.400 -0.030 0.000 2.026 538 K HA -0.224 4.090 4.320 -0.011 0.000 0.208 538 K C 2.178 178.750 176.600 -0.046 0.000 1.048 538 K CA 1.779 58.054 56.287 -0.020 0.000 0.929 538 K CB -0.522 31.982 32.500 0.006 0.000 0.713 538 K HN 0.362 nan 8.250 nan 0.000 0.439 539 Q N 1.021 120.788 119.800 -0.056 0.000 2.096 539 Q HA -0.150 4.184 4.340 -0.011 0.000 0.204 539 Q C 1.738 177.716 176.000 -0.036 0.000 0.982 539 Q CA 2.139 57.901 55.803 -0.068 0.000 0.850 539 Q CB -0.131 28.572 28.738 -0.058 0.000 0.901 539 Q HN 0.511 nan 8.270 nan 0.000 0.422 540 E N -0.510 119.681 120.200 -0.016 0.000 2.058 540 E HA -0.186 4.158 4.350 -0.011 0.000 0.194 540 E C 1.802 178.422 176.600 0.034 0.000 0.997 540 E CA 1.097 57.502 56.400 0.008 0.000 0.801 540 E CB -0.137 29.566 29.700 0.005 0.000 0.746 540 E HN 0.412 nan 8.360 nan 0.000 0.450 541 N N 0.974 119.691 118.700 0.029 0.000 2.120 541 N HA -0.144 4.589 4.740 -0.011 0.000 0.188 541 N C 1.535 177.117 175.510 0.121 0.000 1.024 541 N CA 1.102 54.190 53.050 0.062 0.000 0.852 541 N CB -0.115 38.394 38.487 0.036 0.000 1.003 541 N HN 0.146 nan 8.380 nan 0.000 0.424 542 K N 0.521 120.955 120.400 0.056 0.000 2.097 542 K HA 0.032 4.345 4.320 -0.011 0.000 0.205 542 K C 2.128 178.846 176.600 0.197 0.000 1.050 542 K CA 0.572 56.904 56.287 0.075 0.000 0.938 542 K CB -0.130 32.151 32.500 -0.364 0.000 0.718 542 K HN 0.097 nan 8.250 nan 0.000 0.442 543 L N 1.254 122.538 121.223 0.103 0.000 2.017 543 L HA -0.207 4.127 4.340 -0.011 0.000 0.208 543 L C 2.626 179.583 176.870 0.145 0.000 1.073 543 L CA 1.361 56.268 54.840 0.111 0.000 0.745 543 L CB -0.335 41.759 42.059 0.058 0.000 0.894 543 L HN 0.161 nan 8.230 nan 0.000 0.432 544 K N -0.298 120.191 120.400 0.149 0.000 2.032 544 K HA -0.256 4.058 4.320 -0.011 0.000 0.209 544 K C 2.199 178.943 176.600 0.239 0.000 1.048 544 K CA 1.817 58.202 56.287 0.163 0.000 0.927 544 K CB -0.209 32.376 32.500 0.141 0.000 0.712 544 K HN 0.087 nan 8.250 nan 0.000 0.441 545 F N 1.066 121.108 119.950 0.154 0.000 2.186 545 F HA -0.056 4.464 4.527 -0.010 0.000 0.299 545 F C 2.017 177.960 175.800 0.239 0.000 1.090 545 F CA 1.214 59.330 58.000 0.193 0.000 1.307 545 F CB -0.383 38.731 39.000 0.189 0.000 1.019 545 F HN 0.091 nan 8.300 nan 0.000 0.489 546 A N 0.129 123.100 122.820 0.251 0.000 1.933 546 A HA -0.072 4.241 4.320 -0.011 0.000 0.218 546 A C 2.378 179.969 177.584 0.011 0.000 1.175 546 A CA 1.748 53.862 52.037 0.127 0.000 0.628 546 A CB -1.423 17.715 19.000 0.230 0.000 0.814 546 A HN 0.448 nan 8.150 nan 0.000 0.444 547 A N -1.573 121.275 122.820 0.047 0.000 1.897 547 A HA -0.016 4.298 4.320 -0.011 0.000 0.215 547 A C 2.096 179.673 177.584 -0.012 0.000 1.181 547 A CA 1.426 53.470 52.037 0.012 0.000 0.620 547 A CB -0.800 18.226 19.000 0.045 0.000 0.821 547 A HN 0.734 nan 8.150 nan 0.000 0.443 548 Y N 0.689 120.923 120.300 -0.111 0.000 2.128 548 Y HA -0.230 4.314 4.550 -0.010 0.000 0.284 548 Y C 1.927 177.737 175.900 -0.149 0.000 1.154 548 Y CA 1.997 60.020 58.100 -0.128 0.000 1.149 548 Y CB -0.300 38.073 38.460 -0.145 0.000 0.976 548 Y HN 0.218 nan 8.280 nan 0.000 0.505 549 L N 0.069 121.177 121.223 -0.192 0.000 2.017 549 L HA -0.233 4.101 4.340 -0.011 0.000 0.208 549 L C 2.503 179.291 176.870 -0.137 0.000 1.073 549 L CA 1.908 56.642 54.840 -0.176 0.000 0.745 549 L CB -0.580 41.345 42.059 -0.222 0.000 0.894 549 L HN 0.324 nan 8.230 nan 0.000 0.432 550 E N -0.274 119.827 120.200 -0.165 0.000 2.077 550 E HA -0.220 4.124 4.350 -0.011 0.000 0.193 550 E C 2.351 178.847 176.600 -0.174 0.000 0.989 550 E CA 1.042 57.328 56.400 -0.190 0.000 0.800 550 E CB 0.005 29.556 29.700 -0.248 0.000 0.746 550 E HN 0.407 nan 8.360 nan 0.000 0.452 551 R N 0.520 120.903 120.500 -0.194 0.000 2.070 551 R HA -0.103 4.231 4.340 -0.011 0.000 0.233 551 R C 2.168 178.302 176.300 -0.277 0.000 1.137 551 R CA 1.186 57.166 56.100 -0.199 0.000 0.945 551 R CB 0.026 30.221 30.300 -0.175 0.000 0.845 551 R HN 0.083 nan 8.270 nan 0.000 0.430 552 E N -1.033 118.899 120.200 -0.446 0.000 2.318 552 E HA -0.045 4.299 4.350 -0.011 0.000 0.193 552 E C 0.672 176.812 176.600 -0.766 0.000 0.998 552 E CA 0.968 56.972 56.400 -0.659 0.000 0.859 552 E CB 0.425 29.523 29.700 -1.002 0.000 0.812 552 E HN 0.446 nan 8.360 nan 0.000 0.492 553 Y N -0.215 119.955 120.300 -0.217 0.000 2.610 553 Y HA 0.211 4.755 4.550 -0.011 0.000 0.254 553 Y C 0.144 176.004 175.900 -0.068 0.000 1.110 553 Y CA -0.609 57.424 58.100 -0.112 0.000 1.238 553 Y CB 0.804 39.209 38.460 -0.091 0.000 1.322 553 Y HN -0.260 nan 8.280 nan 0.000 0.547 554 K N 0.605 121.011 120.400 0.011 0.000 3.035 554 K HA -0.139 4.175 4.320 -0.011 0.000 0.262 554 K C -0.530 176.124 176.600 0.091 0.000 1.024 554 K CA 0.860 57.159 56.287 0.019 0.000 0.748 554 K CB -2.239 30.288 32.500 0.044 0.000 1.247 554 K HN 0.263 nan 8.250 nan 0.000 0.482 555 V N -1.654 118.291 119.914 0.052 0.000 2.417 555 V HA 0.437 4.551 4.120 -0.011 0.000 0.291 555 V C 0.537 176.650 176.094 0.032 0.000 1.024 555 V CA -0.818 61.538 62.300 0.094 0.000 0.861 555 V CB 1.788 33.642 31.823 0.052 0.000 0.985 555 V HN 0.223 nan 8.190 nan 0.000 0.436 556 H N 5.749 124.817 119.070 -0.004 0.000 2.527 556 H HA 0.684 5.234 4.556 -0.011 0.000 0.321 556 H C -0.273 175.050 175.328 -0.009 0.000 1.087 556 H CA -0.110 55.938 56.048 0.000 0.000 1.337 556 H CB 2.107 31.875 29.762 0.010 0.000 1.440 556 H HN 0.875 nan 8.280 nan 0.000 0.490 557 I N -0.006 120.620 120.570 0.095 0.000 2.769 557 I HA 0.300 4.464 4.170 -0.011 0.000 0.298 557 I C -0.404 175.792 176.117 0.132 0.000 1.128 557 I CA -1.306 60.039 61.300 0.076 0.000 1.031 557 I CB 2.178 40.176 38.000 -0.002 0.000 1.235 557 I HN 0.296 nan 8.210 nan 0.000 0.423 558 N N 5.783 124.566 118.700 0.138 0.000 2.405 558 N HA 0.347 5.081 4.740 -0.011 0.000 0.260 558 N C -1.966 173.695 175.510 0.251 0.000 1.152 558 N CA -2.254 50.889 53.050 0.154 0.000 0.948 558 N CB 0.901 39.451 38.487 0.105 0.000 1.111 558 N HN 0.404 nan 8.380 nan 0.000 0.485 559 P HA 0.055 nan 4.420 nan 0.000 0.237 559 P C -0.159 177.142 177.300 0.001 0.000 1.178 559 P CA 0.875 64.075 63.100 0.167 0.000 0.766 559 P CB 0.210 31.975 31.700 0.108 0.000 0.876 560 N N -1.148 117.584 118.700 0.052 0.000 2.353 560 N HA -0.006 4.728 4.740 -0.011 0.000 0.185 560 N C 0.398 175.943 175.510 0.059 0.000 1.098 560 N CA -0.028 53.039 53.050 0.027 0.000 0.872 560 N CB -0.020 38.492 38.487 0.042 0.000 0.970 560 N HN 0.133 nan 8.380 nan 0.000 0.467 561 S N 0.173 115.928 115.700 0.091 0.000 2.614 561 S HA 0.198 4.662 4.470 -0.011 0.000 0.265 561 S C 0.065 174.649 174.600 -0.027 0.000 1.303 561 S CA -0.938 57.300 58.200 0.063 0.000 1.000 561 S CB 1.035 64.299 63.200 0.106 0.000 0.935 561 S HN 0.192 nan 8.310 nan 0.000 0.551 562 L N 2.056 123.097 121.223 -0.303 0.000 2.418 562 L HA 0.359 4.692 4.340 -0.011 0.000 0.274 562 L C -0.918 175.931 176.870 -0.034 0.000 1.135 562 L CA -0.492 53.982 54.840 -0.609 0.000 0.870 562 L CB -0.205 41.208 42.059 -1.075 0.000 1.154 562 L HN 0.698 nan 8.230 nan 0.000 0.462 563 F N 4.301 124.113 119.950 -0.230 0.000 2.404 563 F HA 0.126 4.647 4.527 -0.009 0.000 0.359 563 F C 0.344 176.072 175.800 -0.119 0.000 1.134 563 F CA -0.815 57.119 58.000 -0.111 0.000 1.160 563 F CB 0.665 39.647 39.000 -0.030 0.000 1.186 563 F HN 0.517 nan 8.300 nan 0.000 0.526 564 D N 4.788 125.184 120.400 -0.007 0.000 2.392 564 D HA 0.352 4.986 4.640 -0.011 0.000 0.228 564 D C -1.106 175.131 176.300 -0.105 0.000 1.074 564 D CA -0.218 53.736 54.000 -0.077 0.000 0.838 564 D CB 1.503 42.243 40.800 -0.100 0.000 1.067 564 D HN 0.119 nan 8.370 nan 0.000 0.511 565 V N 4.517 124.347 119.914 -0.141 0.000 2.531 565 V HA 0.381 4.495 4.120 -0.011 0.000 0.301 565 V C -0.284 175.660 176.094 -0.250 0.000 1.034 565 V CA -0.814 61.390 62.300 -0.161 0.000 0.865 565 V CB 1.765 33.557 31.823 -0.051 0.000 0.995 565 V HN 0.531 nan 8.190 nan 0.000 0.424 566 Q N 3.851 123.524 119.800 -0.213 0.000 2.394 566 Q HA 0.637 4.970 4.340 -0.011 0.000 0.261 566 Q C -1.352 174.489 176.000 -0.265 0.000 1.023 566 Q CA -0.452 55.214 55.803 -0.227 0.000 0.720 566 Q CB 1.911 30.544 28.738 -0.176 0.000 1.241 566 Q HN 0.795 nan 8.270 nan 0.000 0.483 567 V N 1.562 121.308 119.914 -0.280 0.000 2.487 567 V HA 0.874 4.987 4.120 -0.011 0.000 0.298 567 V C -0.963 174.863 176.094 -0.448 0.000 1.028 567 V CA -0.533 61.420 62.300 -0.578 0.000 0.860 567 V CB 1.197 32.443 31.823 -0.961 0.000 0.991 567 V HN 0.816 nan 8.190 nan 0.000 0.427 568 K N 2.572 122.743 120.400 -0.382 0.000 2.960 568 K HA 0.424 4.738 4.320 -0.011 0.000 0.296 568 K C -1.224 175.370 176.600 -0.011 0.000 1.092 568 K CA -1.193 55.050 56.287 -0.072 0.000 0.847 568 K CB 0.828 33.282 32.500 -0.076 0.000 1.458 568 K HN 0.454 nan 8.250 nan 0.000 0.359 569 R N 0.947 121.494 120.500 0.077 0.000 2.698 569 R HA 0.151 4.485 4.340 -0.011 0.000 0.266 569 R C 0.310 176.631 176.300 0.036 0.000 1.026 569 R CA -0.277 55.882 56.100 0.098 0.000 1.102 569 R CB -0.107 30.276 30.300 0.140 0.000 0.978 569 R HN 0.483 nan 8.270 nan 0.000 0.436 570 I N 4.147 124.748 120.570 0.051 0.000 2.379 570 I HA 0.110 4.274 4.170 -0.011 0.000 0.290 570 I C 0.708 176.803 176.117 -0.037 0.000 1.063 570 I CA 0.455 61.738 61.300 -0.028 0.000 1.351 570 I CB -0.266 37.705 38.000 -0.049 0.000 1.410 570 I HN 0.327 nan 8.210 nan 0.000 0.505 571 H N 5.144 124.110 119.070 -0.174 0.000 2.996 571 H HA 0.234 4.784 4.556 -0.010 0.000 0.368 571 H C 0.462 175.670 175.328 -0.201 0.000 1.185 571 H CA -0.377 55.608 56.048 -0.105 0.000 1.160 571 H CB 1.960 31.656 29.762 -0.110 0.000 1.820 571 H HN 0.575 nan 8.280 nan 0.000 0.547 572 E N 2.034 122.287 120.200 0.088 0.000 2.130 572 E HA -0.256 4.088 4.350 -0.011 0.000 0.196 572 E C 1.346 177.803 176.600 -0.239 0.000 0.998 572 E CA 1.934 58.371 56.400 0.061 0.000 0.806 572 E CB -0.082 29.799 29.700 0.302 0.000 0.738 572 E HN 0.593 nan 8.360 nan 0.000 0.459 573 Y N 0.654 120.616 120.300 -0.563 0.000 2.352 573 Y HA -0.012 4.532 4.550 -0.011 0.000 0.292 573 Y C 1.510 177.156 175.900 -0.423 0.000 1.136 573 Y CA 0.818 58.278 58.100 -1.068 0.000 1.227 573 Y CB -0.091 37.680 38.460 -1.150 0.000 0.991 573 Y HN -0.207 nan 8.280 nan 0.000 0.545 574 K N 0.699 120.654 120.400 -0.742 0.000 2.432 574 K HA 0.081 4.395 4.320 -0.011 0.000 0.196 574 K C 0.145 176.585 176.600 -0.266 0.000 1.038 574 K CA 0.472 56.439 56.287 -0.533 0.000 0.986 574 K CB -0.022 32.146 32.500 -0.554 0.000 0.782 574 K HN 0.247 nan 8.250 nan 0.000 0.485 575 R N 0.343 120.719 120.500 -0.206 0.000 3.422 575 R HA -0.233 4.101 4.340 -0.011 0.000 0.267 575 R C 0.296 176.526 176.300 -0.118 0.000 1.074 575 R CA 0.233 56.260 56.100 -0.121 0.000 0.718 575 R CB -1.951 28.293 30.300 -0.093 0.000 1.157 575 R HN 0.290 nan 8.270 nan 0.000 0.440 576 Q N 0.357 120.085 119.800 -0.120 0.000 2.248 576 Q HA -0.099 4.235 4.340 -0.011 0.000 0.208 576 Q C 2.031 177.988 176.000 -0.071 0.000 0.984 576 Q CA 1.610 57.356 55.803 -0.095 0.000 0.875 576 Q CB -0.029 28.656 28.738 -0.089 0.000 0.910 576 Q HN 0.589 nan 8.270 nan 0.000 0.433 577 L N -0.694 120.491 121.223 -0.063 0.000 2.083 577 L HA -0.175 4.159 4.340 -0.011 0.000 0.209 577 L C 2.019 178.896 176.870 0.012 0.000 1.083 577 L CA 0.500 55.319 54.840 -0.036 0.000 0.752 577 L CB -0.347 41.703 42.059 -0.016 0.000 0.899 577 L HN 0.304 nan 8.230 nan 0.000 0.433 578 L N 0.125 121.347 121.223 -0.001 0.000 2.046 578 L HA -0.244 4.090 4.340 -0.011 0.000 0.208 578 L C 2.049 178.976 176.870 0.095 0.000 1.077 578 L CA 1.905 56.755 54.840 0.016 0.000 0.747 578 L CB -0.837 41.124 42.059 -0.162 0.000 0.896 578 L HN 0.284 nan 8.230 nan 0.000 0.432 579 N N -1.633 117.089 118.700 0.037 0.000 2.069 579 N HA -0.251 4.483 4.740 -0.011 0.000 0.191 579 N C 1.953 177.545 175.510 0.136 0.000 1.031 579 N CA 1.749 54.897 53.050 0.163 0.000 0.852 579 N CB -0.149 38.366 38.487 0.047 0.000 1.018 579 N HN 0.497 nan 8.380 nan 0.000 0.423 580 C N 0.538 119.855 119.300 0.029 0.000 2.413 580 C HA -0.093 4.360 4.460 -0.011 0.000 0.276 580 C C 2.593 177.576 174.990 -0.011 0.000 1.248 580 C CA 0.418 59.407 59.018 -0.048 0.000 1.742 580 C CB -1.275 26.386 27.740 -0.133 0.000 2.017 580 C HN 0.504 nan 8.230 nan 0.000 0.481 581 L N -0.460 120.818 121.223 0.091 0.000 2.046 581 L HA -0.187 4.147 4.340 -0.011 0.000 0.208 581 L C 2.770 179.794 176.870 0.257 0.000 1.077 581 L CA 1.755 56.694 54.840 0.165 0.000 0.747 581 L CB -1.034 41.180 42.059 0.259 0.000 0.896 581 L HN 0.580 nan 8.230 nan 0.000 0.432 582 H N -0.073 119.110 119.070 0.188 0.000 2.353 582 H HA -0.138 4.411 4.556 -0.011 0.000 0.300 582 H C 2.237 177.558 175.328 -0.011 0.000 1.090 582 H CA 1.865 57.939 56.048 0.043 0.000 1.327 582 H CB 0.333 30.040 29.762 -0.091 0.000 1.383 582 H HN 0.092 nan 8.280 nan 0.000 0.508 583 V N 1.592 121.432 119.914 -0.123 0.000 2.287 583 V HA -0.288 3.826 4.120 -0.011 0.000 0.248 583 V C 2.831 178.858 176.094 -0.112 0.000 1.053 583 V CA 2.009 64.198 62.300 -0.185 0.000 1.027 583 V CB -0.523 31.232 31.823 -0.113 0.000 0.646 583 V HN 0.390 nan 8.190 nan 0.000 0.447 584 I N -0.223 120.317 120.570 -0.049 0.000 2.286 584 I HA -0.224 3.940 4.170 -0.011 0.000 0.248 584 I C 2.504 178.675 176.117 0.091 0.000 1.115 584 I CA 1.711 63.049 61.300 0.063 0.000 1.392 584 I CB -0.775 37.239 38.000 0.023 0.000 1.065 584 I HN 0.327 nan 8.210 nan 0.000 0.418 585 T N 1.315 115.885 114.554 0.027 0.000 2.684 585 T HA -0.174 4.170 4.350 -0.011 0.000 0.267 585 T C 1.875 176.534 174.700 -0.069 0.000 1.036 585 T CA 1.340 63.447 62.100 0.011 0.000 1.148 585 T CB -0.278 68.626 68.868 0.060 0.000 0.863 585 T HN 0.084 nan 8.240 nan 0.000 0.436 586 L N -0.033 121.084 121.223 -0.178 0.000 2.046 586 L HA 0.008 4.341 4.340 -0.011 0.000 0.208 586 L C 2.093 178.923 176.870 -0.066 0.000 1.077 586 L CA 1.510 56.239 54.840 -0.184 0.000 0.747 586 L CB -1.125 40.747 42.059 -0.313 0.000 0.896 586 L HN 0.355 nan 8.230 nan 0.000 0.432 587 Y N 0.444 120.680 120.300 -0.107 0.000 2.097 587 Y HA -0.323 4.220 4.550 -0.011 0.000 0.282 587 Y C 2.465 178.343 175.900 -0.037 0.000 1.152 587 Y CA 1.960 60.035 58.100 -0.042 0.000 1.136 587 Y CB -0.118 38.362 38.460 0.034 0.000 0.975 587 Y HN 0.286 nan 8.280 nan 0.000 0.498 588 N N 0.432 119.086 118.700 -0.077 0.000 2.166 588 N HA -0.159 4.575 4.740 -0.011 0.000 0.186 588 N C 1.841 177.238 175.510 -0.188 0.000 1.019 588 N CA 1.620 54.564 53.050 -0.177 0.000 0.856 588 N CB -0.398 38.049 38.487 -0.067 0.000 0.993 588 N HN 0.445 nan 8.380 nan 0.000 0.426 589 R N 0.373 120.791 120.500 -0.137 0.000 2.096 589 R HA 0.057 4.390 4.340 -0.011 0.000 0.235 589 R C 2.241 178.455 176.300 -0.143 0.000 1.127 589 R CA 0.770 56.797 56.100 -0.121 0.000 0.968 589 R CB -0.267 29.974 30.300 -0.099 0.000 0.861 589 R HN 0.247 nan 8.270 nan 0.000 0.440 590 I N 0.980 121.443 120.570 -0.178 0.000 2.179 590 I HA -0.281 3.883 4.170 -0.011 0.000 0.242 590 I C 2.143 178.138 176.117 -0.204 0.000 1.088 590 I CA 1.244 62.437 61.300 -0.179 0.000 1.357 590 I CB -0.199 37.697 38.000 -0.173 0.000 1.051 590 I HN 0.032 nan 8.210 nan 0.000 0.409 591 K N 0.861 121.073 120.400 -0.313 0.000 2.147 591 K HA -0.211 4.103 4.320 -0.011 0.000 0.205 591 K C 2.022 178.519 176.600 -0.171 0.000 1.049 591 K CA 1.212 57.332 56.287 -0.279 0.000 0.936 591 K CB -0.334 31.923 32.500 -0.406 0.000 0.722 591 K HN 0.337 nan 8.250 nan 0.000 0.446 592 K N 1.158 121.465 120.400 -0.155 0.000 2.057 592 K HA -0.097 4.217 4.320 -0.011 0.000 0.206 592 K C 0.077 176.628 176.600 -0.081 0.000 1.050 592 K CA 1.145 57.369 56.287 -0.106 0.000 0.935 592 K CB 0.293 32.736 32.500 -0.095 0.000 0.715 592 K HN 0.074 nan 8.250 nan 0.000 0.439 593 E N 0.127 120.278 120.200 -0.083 0.000 3.037 593 E HA 0.121 4.465 4.350 -0.011 0.000 0.220 593 E C -2.298 174.266 176.600 -0.060 0.000 1.142 593 E CA -1.627 54.738 56.400 -0.059 0.000 0.888 593 E CB 1.697 31.369 29.700 -0.047 0.000 1.329 593 E HN 0.148 nan 8.360 nan 0.000 0.409 594 P HA -0.124 nan 4.420 nan 0.000 0.220 594 P C 0.219 177.499 177.300 -0.034 0.000 1.148 594 P CA 1.166 64.232 63.100 -0.057 0.000 0.803 594 P CB 0.212 31.883 31.700 -0.048 0.000 0.782 595 N N -1.304 117.385 118.700 -0.018 0.000 2.268 595 N HA 0.041 4.775 4.740 -0.011 0.000 0.204 595 N C 0.427 175.951 175.510 0.023 0.000 1.124 595 N CA -0.148 52.904 53.050 0.004 0.000 0.838 595 N CB 0.090 38.580 38.487 0.005 0.000 0.994 595 N HN 0.100 nan 8.380 nan 0.000 0.489 596 K N 1.003 121.410 120.400 0.012 0.000 2.174 596 K HA 0.146 4.460 4.320 -0.011 0.000 0.275 596 K C -0.807 175.831 176.600 0.063 0.000 1.015 596 K CA -0.608 55.703 56.287 0.040 0.000 0.933 596 K CB 0.613 33.119 32.500 0.010 0.000 1.025 596 K HN -0.091 nan 8.250 nan 0.000 0.463 597 F N 5.115 125.052 119.950 -0.022 0.000 2.495 597 F HA 0.225 4.745 4.527 -0.011 0.000 0.365 597 F C -0.486 175.299 175.800 -0.024 0.000 1.090 597 F CA -0.109 57.879 58.000 -0.020 0.000 1.235 597 F CB 0.635 39.626 39.000 -0.015 0.000 1.119 597 F HN 0.209 nan 8.300 nan 0.000 0.562 598 V N 4.267 123.671 119.914 -0.850 0.000 2.876 598 V HA 0.548 4.662 4.120 -0.011 0.000 0.312 598 V C -0.700 174.800 176.094 -0.990 0.000 1.085 598 V CA -1.225 60.679 62.300 -0.660 0.000 0.945 598 V CB 1.032 32.649 31.823 -0.343 0.000 1.017 598 V HN 0.565 nan 8.190 nan 0.000 0.428 599 V N 4.776 124.386 119.914 -0.506 0.000 2.493 599 V HA 0.192 4.306 4.120 -0.011 0.000 0.292 599 V C -1.830 174.099 176.094 -0.275 0.000 1.016 599 V CA -0.424 61.703 62.300 -0.287 0.000 1.097 599 V CB 0.361 32.140 31.823 -0.074 0.000 0.947 599 V HN 0.907 nan 8.190 nan 0.000 0.479 600 P HA 0.351 nan 4.420 nan 0.000 0.271 600 P C -0.425 176.786 177.300 -0.148 0.000 1.216 600 P CA -0.114 62.892 63.100 -0.158 0.000 0.771 600 P CB 0.572 32.226 31.700 -0.077 0.000 0.864 601 R N 1.077 121.500 120.500 -0.128 0.000 2.744 601 R HA 0.565 4.898 4.340 -0.011 0.000 0.279 601 R C -0.720 175.536 176.300 -0.073 0.000 0.977 601 R CA -0.638 55.389 56.100 -0.121 0.000 0.906 601 R CB 1.971 32.184 30.300 -0.145 0.000 1.197 601 R HN 0.308 nan 8.270 nan 0.000 0.463 602 T N 2.051 116.575 114.554 -0.050 0.000 2.788 602 T HA 0.252 4.595 4.350 -0.011 0.000 0.296 602 T C -0.308 174.300 174.700 -0.152 0.000 1.009 602 T CA -0.485 61.541 62.100 -0.124 0.000 0.949 602 T CB 1.190 69.903 68.868 -0.259 0.000 0.946 602 T HN 0.133 nan 8.240 nan 0.000 0.453 603 V N 5.877 125.711 119.914 -0.133 0.000 2.364 603 V HA 0.422 4.536 4.120 -0.011 0.000 0.272 603 V C 0.032 176.045 176.094 -0.134 0.000 1.036 603 V CA -0.447 61.781 62.300 -0.120 0.000 0.880 603 V CB 0.713 32.481 31.823 -0.092 0.000 0.991 603 V HN 0.861 nan 8.190 nan 0.000 0.460 604 M N 6.612 126.122 119.600 -0.150 0.000 2.243 604 M HA 0.618 5.091 4.480 -0.011 0.000 0.324 604 M C -0.983 175.206 176.300 -0.184 0.000 1.031 604 M CA -0.163 55.039 55.300 -0.163 0.000 0.949 604 M CB 1.984 34.485 32.600 -0.165 0.000 1.615 604 M HN 0.422 nan 8.290 nan 0.000 0.430 605 I N 1.807 122.246 120.570 -0.218 0.000 2.498 605 I HA 0.850 5.014 4.170 -0.011 0.000 0.290 605 I C 0.091 175.860 176.117 -0.580 0.000 1.032 605 I CA -0.684 60.456 61.300 -0.267 0.000 1.073 605 I CB 2.308 40.245 38.000 -0.105 0.000 1.251 605 I HN 0.797 nan 8.210 nan 0.000 0.426 606 G N 2.832 111.266 108.800 -0.611 0.000 2.690 606 G HA2 0.827 4.781 3.960 -0.011 0.000 0.293 606 G HA3 0.827 4.781 3.960 -0.011 0.000 0.293 606 G C -1.028 173.577 174.900 -0.490 0.000 1.399 606 G CA -0.730 43.863 45.100 -0.845 0.000 0.890 606 G HN 1.005 nan 8.290 nan 0.000 0.485 607 G N -0.413 108.261 108.800 -0.210 0.000 2.352 607 G HA2 0.404 4.357 3.960 -0.011 0.000 0.305 607 G HA3 0.404 4.357 3.960 -0.011 0.000 0.305 607 G C -1.264 173.780 174.900 0.241 0.000 1.537 607 G CA -1.029 44.113 45.100 0.071 0.000 0.959 607 G HN 0.604 nan 8.290 nan 0.000 0.668 608 K N -0.132 120.404 120.400 0.226 0.000 2.098 608 K HA 0.747 5.061 4.320 -0.011 0.000 0.261 608 K C 0.281 177.026 176.600 0.242 0.000 0.987 608 K CA -0.158 56.280 56.287 0.252 0.000 0.916 608 K CB 1.980 34.534 32.500 0.089 0.000 1.039 608 K HN 0.871 nan 8.250 nan 0.000 0.455 609 A N 1.387 124.380 122.820 0.289 0.000 2.317 609 A HA 0.620 4.934 4.320 -0.011 0.000 0.327 609 A C -0.443 177.330 177.584 0.314 0.000 1.178 609 A CA -0.731 51.422 52.037 0.193 0.000 0.817 609 A CB 0.998 20.027 19.000 0.047 0.000 1.189 609 A HN 0.775 nan 8.150 nan 0.000 0.489 610 A N 3.644 126.640 122.820 0.293 0.000 2.546 610 A HA 0.456 4.770 4.320 -0.011 0.000 0.243 610 A C -1.406 176.280 177.584 0.171 0.000 1.063 610 A CA -0.753 51.460 52.037 0.293 0.000 0.757 610 A CB -0.362 18.804 19.000 0.275 0.000 0.991 610 A HN 0.598 nan 8.150 nan 0.000 0.503 611 P HA -0.131 nan 4.420 nan 0.000 0.217 611 P C 1.302 178.604 177.300 0.004 0.000 1.148 611 P CA 1.913 64.970 63.100 -0.072 0.000 0.828 611 P CB 0.219 31.814 31.700 -0.174 0.000 0.783 612 G N -2.974 105.857 108.800 0.052 0.000 3.088 612 G HA2 -0.077 3.877 3.960 -0.011 0.000 0.217 612 G HA3 -0.077 3.877 3.960 -0.011 0.000 0.217 612 G C -0.236 174.715 174.900 0.084 0.000 1.159 612 G CA -0.093 45.037 45.100 0.050 0.000 0.760 612 G HN 0.313 nan 8.290 nan 0.000 0.550 613 Y N 1.280 121.544 120.300 -0.061 0.000 2.676 613 Y HA 0.268 4.811 4.550 -0.011 0.000 0.338 613 Y C 1.641 177.526 175.900 -0.025 0.000 1.057 613 Y CA -1.171 56.867 58.100 -0.103 0.000 1.314 613 Y CB 0.385 38.753 38.460 -0.153 0.000 1.164 613 Y HN 0.319 nan 8.280 nan 0.000 0.509 614 H N 3.680 122.860 119.070 0.183 0.000 2.319 614 H HA -0.259 4.291 4.556 -0.010 0.000 0.299 614 H C 1.924 177.273 175.328 0.034 0.000 1.092 614 H CA 2.821 58.919 56.048 0.084 0.000 1.302 614 H CB 0.240 30.043 29.762 0.069 0.000 1.373 614 H HN 0.720 nan 8.280 nan 0.000 0.497 615 M N 0.368 119.940 119.600 -0.047 0.000 2.117 615 M HA -0.032 4.441 4.480 -0.011 0.000 0.262 615 M C 2.385 178.440 176.300 -0.408 0.000 1.065 615 M CA 1.837 57.018 55.300 -0.198 0.000 1.114 615 M CB -0.760 31.862 32.600 0.037 0.000 1.361 615 M HN 0.409 nan 8.290 nan 0.000 0.408 616 A N -0.468 121.875 122.820 -0.796 0.000 1.933 616 A HA -0.191 4.123 4.320 -0.011 0.000 0.218 616 A C 2.195 179.573 177.584 -0.343 0.000 1.175 616 A CA 1.826 53.425 52.037 -0.731 0.000 0.628 616 A CB -0.639 17.701 19.000 -1.100 0.000 0.814 616 A HN 0.582 nan 8.150 nan 0.000 0.444 617 K N -1.174 119.078 120.400 -0.246 0.000 2.103 617 K HA -0.036 4.278 4.320 -0.011 0.000 0.204 617 K C 1.914 178.471 176.600 -0.073 0.000 1.052 617 K CA 1.211 57.444 56.287 -0.089 0.000 0.945 617 K CB -0.204 32.308 32.500 0.020 0.000 0.722 617 K HN 0.339 nan 8.250 nan 0.000 0.443 618 M N 0.542 120.047 119.600 -0.159 0.000 2.229 618 M HA -0.080 4.394 4.480 -0.011 0.000 0.264 618 M C 2.100 178.341 176.300 -0.098 0.000 1.063 618 M CA 1.383 56.632 55.300 -0.086 0.000 1.114 618 M CB -0.631 31.888 32.600 -0.134 0.000 1.387 618 M HN 0.122 nan 8.290 nan 0.000 0.420 619 I N -0.151 120.320 120.570 -0.165 0.000 2.226 619 I HA -0.302 3.862 4.170 -0.011 0.000 0.245 619 I C 2.279 178.272 176.117 -0.207 0.000 1.100 619 I CA 1.075 62.268 61.300 -0.179 0.000 1.374 619 I CB -0.302 37.591 38.000 -0.179 0.000 1.057 619 I HN 0.165 nan 8.210 nan 0.000 0.413 620 I N 0.628 121.058 120.570 -0.235 0.000 2.163 620 I HA -0.319 3.845 4.170 -0.011 0.000 0.243 620 I C 2.606 178.456 176.117 -0.445 0.000 1.085 620 I CA 1.295 62.359 61.300 -0.392 0.000 1.347 620 I CB -0.335 37.401 38.000 -0.439 0.000 1.044 620 I HN 0.150 nan 8.210 nan 0.000 0.408 621 K N 1.512 121.669 120.400 -0.406 0.000 2.063 621 K HA -0.174 4.140 4.320 -0.011 0.000 0.208 621 K C 2.048 178.495 176.600 -0.254 0.000 1.048 621 K CA 1.579 57.552 56.287 -0.524 0.000 0.928 621 K CB -0.647 31.298 32.500 -0.925 0.000 0.713 621 K HN 0.237 nan 8.250 nan 0.000 0.442 622 L N 0.353 121.453 121.223 -0.205 0.000 2.012 622 L HA -0.199 4.135 4.340 -0.011 0.000 0.210 622 L C 2.229 178.863 176.870 -0.392 0.000 1.073 622 L CA 1.827 56.372 54.840 -0.492 0.000 0.748 622 L CB -0.311 41.378 42.059 -0.618 0.000 0.891 622 L HN 0.281 nan 8.230 nan 0.000 0.431 623 I N -0.239 120.156 120.570 -0.291 0.000 2.163 623 I HA -0.339 3.825 4.170 -0.011 0.000 0.243 623 I C 2.641 178.657 176.117 -0.169 0.000 1.085 623 I CA 1.944 63.125 61.300 -0.198 0.000 1.347 623 I CB -0.579 37.388 38.000 -0.056 0.000 1.044 623 I HN 0.436 nan 8.210 nan 0.000 0.408 624 T N -0.815 113.616 114.554 -0.205 0.000 2.821 624 T HA -0.092 4.251 4.350 -0.011 0.000 0.267 624 T C 1.990 176.625 174.700 -0.108 0.000 1.046 624 T CA 0.968 62.976 62.100 -0.153 0.000 1.139 624 T CB -0.520 68.216 68.868 -0.219 0.000 0.871 624 T HN 0.341 nan 8.240 nan 0.000 0.454 625 A N 1.542 124.296 122.820 -0.111 0.000 1.902 625 A HA 0.128 4.442 4.320 -0.011 0.000 0.217 625 A C 2.380 179.980 177.584 0.027 0.000 1.181 625 A CA 1.338 53.377 52.037 0.005 0.000 0.623 625 A CB -0.833 18.264 19.000 0.163 0.000 0.818 625 A HN 0.594 nan 8.150 nan 0.000 0.443 626 I N -0.259 120.216 120.570 -0.157 0.000 2.179 626 I HA -0.204 3.960 4.170 -0.011 0.000 0.242 626 I C 2.720 178.787 176.117 -0.083 0.000 1.088 626 I CA 1.162 62.344 61.300 -0.197 0.000 1.357 626 I CB -0.642 37.111 38.000 -0.413 0.000 1.051 626 I HN 0.385 nan 8.210 nan 0.000 0.409 627 G N 0.412 109.154 108.800 -0.096 0.000 2.440 627 G HA2 -0.267 3.687 3.960 -0.011 0.000 0.218 627 G HA3 -0.267 3.687 3.960 -0.011 0.000 0.218 627 G C 1.279 176.134 174.900 -0.075 0.000 1.154 627 G CA 1.026 46.071 45.100 -0.091 0.000 0.767 627 G HN 0.282 nan 8.290 nan 0.000 0.552 628 D N 0.044 120.447 120.400 0.004 0.000 2.149 628 D HA -0.095 4.538 4.640 -0.011 0.000 0.198 628 D C 2.718 179.092 176.300 0.124 0.000 0.990 628 D CA 0.801 54.866 54.000 0.108 0.000 0.839 628 D CB -0.262 40.589 40.800 0.085 0.000 0.948 628 D HN 0.244 nan 8.370 nan 0.000 0.460 629 V N 0.214 120.148 119.914 0.032 0.000 2.302 629 V HA -0.146 3.968 4.120 -0.011 0.000 0.243 629 V C 2.612 178.638 176.094 -0.114 0.000 1.036 629 V CA 0.828 63.096 62.300 -0.054 0.000 1.020 629 V CB -0.307 31.445 31.823 -0.119 0.000 0.657 629 V HN 0.030 nan 8.190 nan 0.000 0.453 630 V N 0.907 120.703 119.914 -0.196 0.000 2.358 630 V HA -0.192 3.921 4.120 -0.011 0.000 0.246 630 V C 2.140 178.168 176.094 -0.111 0.000 1.047 630 V CA 1.974 64.153 62.300 -0.202 0.000 1.035 630 V CB -0.838 30.867 31.823 -0.197 0.000 0.658 630 V HN 0.565 nan 8.190 nan 0.000 0.452 631 N N -0.342 118.219 118.700 -0.231 0.000 2.512 631 N HA -0.071 4.662 4.740 -0.011 0.000 0.183 631 N C 1.194 176.425 175.510 -0.465 0.000 1.073 631 N CA 0.880 53.710 53.050 -0.366 0.000 0.911 631 N CB -0.246 37.947 38.487 -0.490 0.000 0.964 631 N HN 0.695 nan 8.380 nan 0.000 0.447 632 H N -1.509 117.557 119.070 -0.007 0.000 2.674 632 H HA 0.202 4.752 4.556 -0.010 0.000 0.274 632 H C -0.504 174.832 175.328 0.014 0.000 1.121 632 H CA -0.492 55.552 56.048 -0.006 0.000 1.132 632 H CB 0.646 30.395 29.762 -0.021 0.000 1.606 632 H HN -0.023 nan 8.280 nan 0.000 0.558 633 D N 1.899 122.364 120.400 0.109 0.000 2.316 633 D HA 0.040 4.674 4.640 -0.011 0.000 0.245 633 D C -1.625 174.729 176.300 0.090 0.000 1.171 633 D CA -2.075 52.004 54.000 0.132 0.000 0.856 633 D CB 1.685 42.638 40.800 0.255 0.000 1.090 633 D HN 0.109 nan 8.370 nan 0.000 0.476 634 P HA -0.108 nan 4.420 nan 0.000 0.218 634 P C 1.565 178.883 177.300 0.030 0.000 1.149 634 P CA 0.342 63.466 63.100 0.041 0.000 0.817 634 P CB 0.433 32.151 31.700 0.031 0.000 0.785 635 V N -0.597 119.335 119.914 0.031 0.000 2.515 635 V HA -0.153 3.961 4.120 -0.011 0.000 0.250 635 V C 2.443 178.538 176.094 0.001 0.000 1.058 635 V CA 1.425 63.729 62.300 0.007 0.000 1.064 635 V CB -0.933 30.883 31.823 -0.010 0.000 0.675 635 V HN -0.020 nan 8.190 nan 0.000 0.461 636 V N -0.207 119.724 119.914 0.029 0.000 2.453 636 V HA 0.116 4.230 4.120 -0.011 0.000 0.247 636 V C 1.780 177.877 176.094 0.005 0.000 1.048 636 V CA 1.531 63.846 62.300 0.025 0.000 1.049 636 V CB -1.115 30.768 31.823 0.100 0.000 0.672 636 V HN 0.732 nan 8.190 nan 0.000 0.457 637 G N 1.564 110.372 108.800 0.012 0.000 2.556 637 G HA2 -0.348 3.606 3.960 -0.011 0.000 0.283 637 G HA3 -0.348 3.606 3.960 -0.011 0.000 0.283 637 G C 0.252 175.151 174.900 -0.002 0.000 1.177 637 G CA 0.393 45.496 45.100 0.004 0.000 0.978 637 G HN 0.685 nan 8.290 nan 0.000 0.554 638 D N 0.287 120.686 120.400 -0.003 0.000 2.525 638 D HA 0.224 4.858 4.640 -0.011 0.000 0.229 638 D C 1.661 177.950 176.300 -0.017 0.000 1.202 638 D CA -0.127 53.872 54.000 -0.003 0.000 0.828 638 D CB -0.047 40.763 40.800 0.017 0.000 1.008 638 D HN 0.581 nan 8.370 nan 0.000 0.493 639 R N -0.665 119.813 120.500 -0.038 0.000 2.200 639 R HA 0.210 4.544 4.340 -0.011 0.000 0.208 639 R C -0.047 176.205 176.300 -0.080 0.000 1.033 639 R CA 0.260 56.313 56.100 -0.079 0.000 1.000 639 R CB 0.358 30.591 30.300 -0.111 0.000 0.906 639 R HN 0.116 nan 8.270 nan 0.000 0.462 640 L N 0.579 121.772 121.223 -0.050 0.000 2.505 640 L HA 0.390 4.724 4.340 -0.011 0.000 0.266 640 L C -1.566 175.276 176.870 -0.048 0.000 0.954 640 L CA -0.490 54.319 54.840 -0.052 0.000 0.852 640 L CB 1.780 43.821 42.059 -0.031 0.000 1.282 640 L HN -0.187 nan 8.230 nan 0.000 0.403 641 R N 3.839 124.299 120.500 -0.067 0.000 2.628 641 R HA 0.793 5.127 4.340 -0.011 0.000 0.288 641 R C -1.655 174.587 176.300 -0.095 0.000 0.980 641 R CA -0.814 55.237 56.100 -0.081 0.000 0.891 641 R CB 2.449 32.705 30.300 -0.073 0.000 1.188 641 R HN 0.421 nan 8.270 nan 0.000 0.450 642 V N 4.785 124.639 119.914 -0.100 0.000 2.407 642 V HA 0.476 4.590 4.120 -0.011 0.000 0.291 642 V C -0.283 175.764 176.094 -0.077 0.000 1.018 642 V CA -0.754 61.489 62.300 -0.094 0.000 0.842 642 V CB 1.889 33.652 31.823 -0.099 0.000 0.996 642 V HN 0.494 nan 8.190 nan 0.000 0.426 643 I N 4.730 125.256 120.570 -0.073 0.000 2.465 643 I HA 0.422 4.586 4.170 -0.011 0.000 0.291 643 I C -0.621 175.483 176.117 -0.022 0.000 1.014 643 I CA -0.733 60.536 61.300 -0.051 0.000 1.093 643 I CB 1.800 39.747 38.000 -0.089 0.000 1.267 643 I HN 0.566 nan 8.210 nan 0.000 0.431 644 F N 6.713 126.601 119.950 -0.103 0.000 2.411 644 F HA 0.438 4.959 4.527 -0.010 0.000 0.355 644 F C -0.198 175.542 175.800 -0.100 0.000 1.117 644 F CA -0.454 57.488 58.000 -0.097 0.000 1.139 644 F CB 0.767 39.713 39.000 -0.089 0.000 1.120 644 F HN 0.261 nan 8.300 nan 0.000 0.493 645 L N 6.248 127.080 121.223 -0.651 0.000 2.342 645 L HA 0.214 4.548 4.340 -0.011 0.000 0.285 645 L C 0.265 176.908 176.870 -0.378 0.000 1.095 645 L CA -0.198 54.396 54.840 -0.409 0.000 0.843 645 L CB 0.563 42.461 42.059 -0.269 0.000 1.201 645 L HN 0.640 nan 8.230 nan 0.000 0.445 646 E N 3.759 123.873 120.200 -0.143 0.000 2.373 646 E HA -0.045 4.299 4.350 -0.011 0.000 0.267 646 E C 0.401 177.083 176.600 0.136 0.000 1.032 646 E CA -0.256 56.204 56.400 0.101 0.000 0.889 646 E CB 0.423 30.177 29.700 0.089 0.000 0.984 646 E HN 0.545 nan 8.360 nan 0.000 0.425 647 N N 2.588 121.421 118.700 0.222 0.000 2.758 647 N HA -0.276 4.458 4.740 -0.011 0.000 0.248 647 N C -1.560 174.052 175.510 0.171 0.000 1.076 647 N CA 0.493 53.665 53.050 0.202 0.000 0.696 647 N CB -1.649 36.970 38.487 0.220 0.000 0.979 647 N HN 0.495 nan 8.380 nan 0.000 0.550 648 Y N 1.614 121.931 120.300 0.029 0.000 2.721 648 Y HA 0.147 4.690 4.550 -0.011 0.000 0.329 648 Y C 1.158 177.079 175.900 0.035 0.000 1.211 648 Y CA 0.773 58.874 58.100 0.003 0.000 1.512 648 Y CB 0.281 38.712 38.460 -0.048 0.000 1.249 648 Y HN 0.369 nan 8.280 nan 0.000 0.549 649 R N 2.387 122.550 120.500 -0.561 0.000 2.756 649 R HA 0.431 4.765 4.340 -0.011 0.000 0.273 649 R C -0.519 175.449 176.300 -0.554 0.000 1.030 649 R CA -0.569 55.281 56.100 -0.417 0.000 0.887 649 R CB 0.283 30.516 30.300 -0.112 0.000 1.274 649 R HN 0.346 nan 8.270 nan 0.000 0.461 650 V N 0.827 120.453 119.914 -0.480 0.000 2.287 650 V HA -0.241 3.873 4.120 -0.011 0.000 0.248 650 V C 2.228 178.190 176.094 -0.219 0.000 1.053 650 V CA 2.649 64.727 62.300 -0.371 0.000 1.027 650 V CB -0.660 30.921 31.823 -0.403 0.000 0.646 650 V HN 0.821 nan 8.190 nan 0.000 0.447 651 S N -0.269 115.322 115.700 -0.180 0.000 2.382 651 S HA -0.162 4.301 4.470 -0.011 0.000 0.228 651 S C 1.830 176.374 174.600 -0.093 0.000 1.027 651 S CA 1.618 59.744 58.200 -0.124 0.000 0.991 651 S CB -0.359 62.798 63.200 -0.071 0.000 0.823 651 S HN 0.429 nan 8.310 nan 0.000 0.469 652 L N 1.709 122.882 121.223 -0.082 0.000 2.109 652 L HA 0.126 4.460 4.340 -0.011 0.000 0.207 652 L C 2.332 179.210 176.870 0.013 0.000 1.086 652 L CA 1.597 56.432 54.840 -0.009 0.000 0.760 652 L CB -1.055 41.056 42.059 0.086 0.000 0.910 652 L HN 0.234 nan 8.230 nan 0.000 0.437 653 A N -0.674 122.123 122.820 -0.037 0.000 1.908 653 A HA -0.259 4.054 4.320 -0.011 0.000 0.218 653 A C 2.139 179.780 177.584 0.095 0.000 1.181 653 A CA 1.939 54.032 52.037 0.094 0.000 0.627 653 A CB -0.653 18.387 19.000 0.066 0.000 0.818 653 A HN 0.604 nan 8.150 nan 0.000 0.445 654 E N -0.451 119.782 120.200 0.056 0.000 2.265 654 E HA -0.176 4.168 4.350 -0.011 0.000 0.196 654 E C 1.922 178.489 176.600 -0.056 0.000 0.996 654 E CA 1.268 57.657 56.400 -0.019 0.000 0.832 654 E CB -0.065 29.535 29.700 -0.165 0.000 0.756 654 E HN 0.637 nan 8.360 nan 0.000 0.491 655 K N 0.022 120.376 120.400 -0.076 0.000 2.141 655 K HA 0.021 4.335 4.320 -0.011 0.000 0.202 655 K C 2.164 178.602 176.600 -0.270 0.000 1.045 655 K CA 0.469 56.705 56.287 -0.086 0.000 0.971 655 K CB 0.036 32.494 32.500 -0.071 0.000 0.795 655 K HN -0.039 nan 8.250 nan 0.000 0.459 656 V N 1.820 121.488 119.914 -0.411 0.000 2.488 656 V HA -0.115 3.998 4.120 -0.011 0.000 0.246 656 V C 1.905 177.765 176.094 -0.391 0.000 1.046 656 V CA 1.119 62.949 62.300 -0.784 0.000 1.053 656 V CB -0.143 31.331 31.823 -0.582 0.000 0.679 656 V HN 0.227 nan 8.190 nan 0.000 0.458 657 I N 0.802 121.201 120.570 -0.285 0.000 2.127 657 I HA -0.146 4.018 4.170 -0.011 0.000 0.241 657 I C -0.227 175.787 176.117 -0.171 0.000 1.075 657 I CA 1.784 62.856 61.300 -0.381 0.000 1.334 657 I CB -1.538 36.100 38.000 -0.603 0.000 1.040 657 I HN 0.364 nan 8.210 nan 0.000 0.405 658 P HA -0.124 nan 4.420 nan 0.000 0.225 658 P C 0.990 178.287 177.300 -0.004 0.000 1.148 658 P CA 1.289 64.369 63.100 -0.034 0.000 0.779 658 P CB 0.006 31.694 31.700 -0.021 0.000 0.780 659 A N -1.073 121.727 122.820 -0.034 0.000 2.218 659 A HA 0.434 4.748 4.320 -0.011 0.000 0.209 659 A C 1.225 178.901 177.584 0.154 0.000 1.168 659 A CA 0.198 52.264 52.037 0.049 0.000 0.804 659 A CB -0.709 18.315 19.000 0.040 0.000 0.834 659 A HN 0.207 nan 8.150 nan 0.000 0.482 660 A N -0.008 122.907 122.820 0.159 0.000 2.354 660 A HA 0.456 4.770 4.320 -0.011 0.000 0.269 660 A C 0.370 178.094 177.584 0.234 0.000 1.109 660 A CA -0.155 52.036 52.037 0.257 0.000 0.800 660 A CB 0.326 19.568 19.000 0.403 0.000 1.045 660 A HN 0.275 nan 8.150 nan 0.000 0.489 661 D N 0.494 121.030 120.400 0.227 0.000 2.323 661 D HA 0.114 4.748 4.640 -0.011 0.000 0.218 661 D C 0.059 176.559 176.300 0.332 0.000 0.973 661 D CA 0.829 55.010 54.000 0.301 0.000 0.890 661 D CB 0.289 41.180 40.800 0.152 0.000 1.011 661 D HN 0.364 nan 8.370 nan 0.000 0.499 662 L N 0.979 122.283 121.223 0.136 0.000 2.381 662 L HA 0.281 4.615 4.340 -0.011 0.000 0.274 662 L C -0.907 175.843 176.870 -0.199 0.000 0.988 662 L CA -0.321 54.530 54.840 0.017 0.000 0.824 662 L CB 2.141 44.187 42.059 -0.023 0.000 1.263 662 L HN -0.192 nan 8.230 nan 0.000 0.410 663 S N 4.286 119.787 115.700 -0.332 0.000 2.422 663 S HA 0.341 4.804 4.470 -0.011 0.000 0.308 663 S C -0.417 173.934 174.600 -0.416 0.000 1.097 663 S CA -0.662 57.105 58.200 -0.721 0.000 1.099 663 S CB 0.679 63.387 63.200 -0.820 0.000 0.976 663 S HN 0.557 nan 8.310 nan 0.000 0.471 664 E N 4.105 124.069 120.200 -0.393 0.000 2.089 664 E HA 0.217 4.560 4.350 -0.011 0.000 0.284 664 E C -0.537 175.967 176.600 -0.159 0.000 1.023 664 E CA -0.390 55.901 56.400 -0.181 0.000 0.819 664 E CB 1.017 30.634 29.700 -0.138 0.000 1.076 664 E HN 0.611 nan 8.360 nan 0.000 0.396 665 Q N 2.885 122.649 119.800 -0.060 0.000 3.064 665 Q HA 0.274 4.608 4.340 -0.011 0.000 0.258 665 Q C 0.586 176.581 176.000 -0.009 0.000 0.972 665 Q CA -0.115 55.659 55.803 -0.048 0.000 0.761 665 Q CB 0.315 29.034 28.738 -0.032 0.000 1.281 665 Q HN 0.621 nan 8.270 nan 0.000 0.455 666 I N -1.787 118.763 120.570 -0.033 0.000 3.707 666 I HA 0.267 4.431 4.170 -0.011 0.000 0.330 666 I C 0.416 176.491 176.117 -0.070 0.000 1.572 666 I CA -0.686 60.609 61.300 -0.008 0.000 1.104 666 I CB 0.548 38.551 38.000 0.005 0.000 1.240 666 I HN 0.014 nan 8.210 nan 0.000 0.475 667 S N 0.574 116.229 115.700 -0.074 0.000 2.563 667 S HA 0.147 4.610 4.470 -0.011 0.000 0.284 667 S C 0.585 175.168 174.600 -0.028 0.000 1.331 667 S CA -0.194 57.980 58.200 -0.043 0.000 1.047 667 S CB 0.218 63.437 63.200 0.032 0.000 0.859 667 S HN 0.385 nan 8.310 nan 0.000 0.514 668 T N 2.819 117.388 114.554 0.025 0.000 2.902 668 T HA 0.376 4.719 4.350 -0.011 0.000 0.301 668 T C 0.777 175.485 174.700 0.013 0.000 1.012 668 T CA 0.277 62.398 62.100 0.035 0.000 1.151 668 T CB 0.001 68.960 68.868 0.152 0.000 0.946 668 T HN 1.023 nan 8.240 nan 0.000 0.542 669 A N 2.688 125.486 122.820 -0.037 0.000 2.580 669 A HA 0.447 4.760 4.320 -0.011 0.000 0.244 669 A C 1.641 179.217 177.584 -0.014 0.000 1.045 669 A CA 0.297 52.308 52.037 -0.043 0.000 0.761 669 A CB -0.902 18.060 19.000 -0.063 0.000 0.962 669 A HN 1.737 nan 8.150 nan 0.000 0.512 670 G N 1.404 110.194 108.800 -0.017 0.000 2.175 670 G HA2 -0.238 3.715 3.960 -0.011 0.000 0.244 670 G HA3 -0.238 3.715 3.960 -0.011 0.000 0.244 670 G C 0.832 175.717 174.900 -0.024 0.000 0.982 670 G CA 1.155 46.247 45.100 -0.013 0.000 0.641 670 G HN 2.000 nan 8.290 nan 0.000 0.527 671 T N -2.601 111.934 114.554 -0.032 0.000 3.038 671 T HA 0.412 4.756 4.350 -0.011 0.000 0.244 671 T C 0.735 175.283 174.700 -0.254 0.000 1.016 671 T CA 1.036 63.051 62.100 -0.141 0.000 1.098 671 T CB 0.563 69.383 68.868 -0.081 0.000 0.954 671 T HN 0.302 nan 8.240 nan 0.000 0.469 672 E N 1.389 121.568 120.200 -0.035 0.000 2.089 672 E HA 0.665 5.008 4.350 -0.011 0.000 0.284 672 E C 1.127 177.678 176.600 -0.081 0.000 1.023 672 E CA 0.080 56.499 56.400 0.032 0.000 0.819 672 E CB 0.948 30.727 29.700 0.132 0.000 1.076 672 E HN 0.338 nan 8.360 nan 0.000 0.396 673 A N 3.456 126.158 122.820 -0.198 0.000 1.883 673 A HA -0.193 4.121 4.320 -0.011 0.000 0.217 673 A C 1.982 179.445 177.584 -0.201 0.000 1.186 673 A CA 2.200 53.992 52.037 -0.409 0.000 0.624 673 A CB -0.301 18.199 19.000 -0.834 0.000 0.822 673 A HN 0.604 nan 8.150 nan 0.000 0.444 674 S N -3.677 111.961 115.700 -0.104 0.000 3.792 674 S HA 0.455 4.919 4.470 -0.011 0.000 0.229 674 S C 0.725 175.311 174.600 -0.022 0.000 1.118 674 S CA 1.476 59.658 58.200 -0.030 0.000 0.877 674 S CB -0.084 63.123 63.200 0.011 0.000 1.077 674 S HN 2.246 nan 8.310 nan 0.000 0.546 675 G N 0.354 109.148 108.800 -0.011 0.000 2.721 675 G HA2 -0.064 3.890 3.960 -0.011 0.000 0.686 675 G HA3 -0.064 3.890 3.960 -0.011 0.000 0.686 675 G C 0.245 175.126 174.900 -0.032 0.000 1.236 675 G CA 0.444 45.535 45.100 -0.015 0.000 0.786 675 G HN 1.282 nan 8.290 nan 0.000 0.616 676 T N -1.752 112.772 114.554 -0.051 0.000 3.010 676 T HA 0.378 4.722 4.350 -0.011 0.000 0.253 676 T C 2.412 177.016 174.700 -0.161 0.000 0.939 676 T CA 1.272 63.313 62.100 -0.098 0.000 0.910 676 T CB 0.232 69.036 68.868 -0.107 0.000 1.226 676 T HN 1.907 nan 8.240 nan 0.000 0.508 677 G N 3.241 111.973 108.800 -0.114 0.000 2.469 677 G HA2 -0.310 3.643 3.960 -0.011 0.000 0.219 677 G HA3 -0.310 3.643 3.960 -0.011 0.000 0.219 677 G C 1.472 176.423 174.900 0.086 0.000 1.150 677 G CA 1.287 46.343 45.100 -0.074 0.000 0.763 677 G HN 0.842 nan 8.290 nan 0.000 0.561 678 N N -0.088 118.648 118.700 0.061 0.000 2.094 678 N HA -0.121 4.613 4.740 -0.011 0.000 0.191 678 N C 1.453 176.973 175.510 0.017 0.000 1.023 678 N CA 0.719 53.807 53.050 0.062 0.000 0.857 678 N CB -0.349 38.125 38.487 -0.022 0.000 1.013 678 N HN 0.348 nan 8.380 nan 0.000 0.426 682 M N 0.265 119.949 119.600 0.140 0.000 2.108 682 M HA -0.169 4.304 4.480 -0.011 0.000 0.261 682 M C 1.995 178.346 176.300 0.085 0.000 1.066 682 M CA 1.838 57.188 55.300 0.084 0.000 1.107 682 M CB -0.091 32.561 32.600 0.087 0.000 1.356 682 M HN 0.314 nan 8.290 nan 0.000 0.406 683 L N 0.662 121.935 121.223 0.084 0.000 2.201 683 L HA -0.091 4.243 4.340 -0.011 0.000 0.212 683 L C 1.347 178.261 176.870 0.074 0.000 1.105 683 L CA 1.622 56.518 54.840 0.092 0.000 0.775 683 L CB -0.583 41.540 42.059 0.107 0.000 0.913 683 L HN 0.345 nan 8.230 nan 0.000 0.440 684 N N -0.356 118.379 118.700 0.058 0.000 2.235 684 N HA 0.171 4.905 4.740 -0.011 0.000 0.209 684 N C 0.828 176.373 175.510 0.058 0.000 1.122 684 N CA 0.785 53.863 53.050 0.047 0.000 0.845 684 N CB 0.605 39.100 38.487 0.013 0.000 1.004 684 N HN 0.379 nan 8.380 nan 0.000 0.499 685 G N 0.665 109.502 108.800 0.062 0.000 2.142 685 G HA2 -0.200 3.754 3.960 -0.011 0.000 0.225 685 G HA3 -0.200 3.754 3.960 -0.011 0.000 0.225 685 G C -0.007 174.952 174.900 0.098 0.000 1.015 685 G CA 0.153 45.286 45.100 0.056 0.000 0.716 685 G HN 0.511 nan 8.290 nan 0.000 0.508 686 A N -0.333 122.557 122.820 0.116 0.000 2.312 686 A HA 0.878 5.191 4.320 -0.011 0.000 0.328 686 A C 0.481 178.054 177.584 -0.019 0.000 1.158 686 A CA -0.614 51.504 52.037 0.135 0.000 0.821 686 A CB 0.957 20.093 19.000 0.227 0.000 1.170 686 A HN 0.732 nan 8.150 nan 0.000 0.490 687 L N 0.792 121.968 121.223 -0.077 0.000 2.421 687 L HA 0.428 4.762 4.340 -0.011 0.000 0.263 687 L C 0.219 176.972 176.870 -0.195 0.000 1.122 687 L CA -0.314 54.381 54.840 -0.241 0.000 0.804 687 L CB 1.381 43.224 42.059 -0.361 0.000 1.150 687 L HN 0.681 nan 8.230 nan 0.000 0.457 688 T N 2.669 117.011 114.554 -0.353 0.000 2.779 688 T HA 0.447 4.790 4.350 -0.011 0.000 0.280 688 T C -0.370 174.324 174.700 -0.009 0.000 0.987 688 T CA -0.260 61.681 62.100 -0.265 0.000 0.966 688 T CB 1.457 70.083 68.868 -0.403 0.000 0.933 688 T HN 0.346 nan 8.240 nan 0.000 0.442 689 I N 3.103 123.708 120.570 0.059 0.000 2.321 689 I HA 0.698 4.862 4.170 -0.011 0.000 0.291 689 I C 0.149 176.444 176.117 0.297 0.000 0.998 689 I CA 0.123 61.554 61.300 0.218 0.000 1.227 689 I CB 0.266 38.316 38.000 0.083 0.000 1.368 689 I HN 0.773 nan 8.210 nan 0.000 0.466 690 G N 4.004 113.045 108.800 0.402 0.000 2.646 690 G HA2 0.457 4.411 3.960 -0.011 0.000 0.291 690 G HA3 0.457 4.411 3.960 -0.011 0.000 0.291 690 G C -0.872 173.964 174.900 -0.107 0.000 1.445 690 G CA -0.454 44.776 45.100 0.216 0.000 0.814 690 G HN 0.582 nan 8.290 nan 0.000 0.495 691 T N -1.194 113.162 114.554 -0.330 0.000 2.849 691 T HA 0.480 4.824 4.350 -0.011 0.000 0.284 691 T C 0.791 175.367 174.700 -0.206 0.000 1.004 691 T CA -0.658 61.169 62.100 -0.455 0.000 1.021 691 T CB 1.045 69.663 68.868 -0.417 0.000 1.013 691 T HN 0.256 nan 8.240 nan 0.000 0.527 692 M N 2.833 122.322 119.600 -0.184 0.000 3.436 692 M HA 0.309 4.783 4.480 -0.011 0.000 0.240 692 M C -0.436 175.807 176.300 -0.095 0.000 1.469 692 M CA -0.011 55.219 55.300 -0.118 0.000 1.622 692 M CB -1.779 30.761 32.600 -0.100 0.000 1.098 692 M HN 0.727 nan 8.290 nan 0.000 0.568 693 D N -0.044 120.305 120.400 -0.084 0.000 2.671 693 D HA 0.666 5.300 4.640 -0.011 0.000 0.232 693 D C 0.725 176.999 176.300 -0.043 0.000 1.114 693 D CA 0.696 54.662 54.000 -0.057 0.000 0.858 693 D CB 1.735 42.503 40.800 -0.054 0.000 1.544 693 D HN 0.595 nan 8.370 nan 0.000 0.471 694 G N 1.818 110.602 108.800 -0.026 0.000 2.627 694 G HA2 -0.269 3.684 3.960 -0.011 0.000 0.312 694 G HA3 -0.269 3.684 3.960 -0.011 0.000 0.312 694 G C 1.061 175.950 174.900 -0.019 0.000 1.299 694 G CA 1.187 46.276 45.100 -0.019 0.000 0.989 694 G HN 1.059 nan 8.290 nan 0.000 0.547 695 A N -0.362 122.441 122.820 -0.029 0.000 2.168 695 A HA 0.082 4.396 4.320 -0.011 0.000 0.215 695 A C 2.125 179.640 177.584 -0.116 0.000 1.152 695 A CA 1.842 53.853 52.037 -0.043 0.000 0.716 695 A CB -0.462 18.497 19.000 -0.069 0.000 0.794 695 A HN 0.633 nan 8.150 nan 0.000 0.465 696 N N 0.607 119.246 118.700 -0.100 0.000 2.091 696 N HA -0.168 4.566 4.740 -0.011 0.000 0.193 696 N C 1.595 176.989 175.510 -0.193 0.000 1.021 696 N CA 1.666 54.649 53.050 -0.111 0.000 0.862 696 N CB -0.676 37.783 38.487 -0.047 0.000 1.018 696 N HN 0.294 nan 8.380 nan 0.000 0.429 697 V N 1.178 121.015 119.914 -0.128 0.000 2.287 697 V HA -0.219 3.895 4.120 -0.011 0.000 0.248 697 V C 2.007 178.031 176.094 -0.118 0.000 1.053 697 V CA 1.724 63.949 62.300 -0.125 0.000 1.027 697 V CB -0.490 31.292 31.823 -0.069 0.000 0.646 697 V HN 0.357 nan 8.190 nan 0.000 0.447 698 E N -0.664 119.517 120.200 -0.032 0.000 2.158 698 E HA -0.121 4.223 4.350 -0.011 0.000 0.191 698 E C 2.228 178.928 176.600 0.167 0.000 0.982 698 E CA 1.004 57.461 56.400 0.094 0.000 0.823 698 E CB -0.174 29.670 29.700 0.240 0.000 0.766 698 E HN 0.541 nan 8.360 nan 0.000 0.468 699 M N 0.486 120.074 119.600 -0.021 0.000 2.086 699 M HA -0.160 4.314 4.480 -0.011 0.000 0.261 699 M C 2.506 178.517 176.300 -0.481 0.000 1.067 699 M CA 1.606 56.821 55.300 -0.142 0.000 1.116 699 M CB -0.230 32.197 32.600 -0.288 0.000 1.348 699 M HN 0.137 nan 8.290 nan 0.000 0.407 700 A N -0.073 122.179 122.820 -0.946 0.000 1.933 700 A HA -0.228 4.086 4.320 -0.011 0.000 0.218 700 A C 1.998 179.365 177.584 -0.363 0.000 1.175 700 A CA 2.019 53.458 52.037 -0.997 0.000 0.628 700 A CB -0.842 17.686 19.000 -0.786 0.000 0.814 700 A HN 0.607 nan 8.150 nan 0.000 0.444 701 E N -0.408 119.664 120.200 -0.213 0.000 2.077 701 E HA -0.216 4.128 4.350 -0.011 0.000 0.193 701 E C 1.772 178.343 176.600 -0.048 0.000 0.989 701 E CA 1.246 57.588 56.400 -0.097 0.000 0.800 701 E CB -0.088 29.576 29.700 -0.060 0.000 0.746 701 E HN 0.554 nan 8.360 nan 0.000 0.452 702 E N 0.224 120.421 120.200 -0.004 0.000 2.047 702 E HA -0.142 4.202 4.350 -0.011 0.000 0.191 702 E C 1.895 178.525 176.600 0.049 0.000 0.987 702 E CA 1.213 57.636 56.400 0.039 0.000 0.799 702 E CB -0.234 29.541 29.700 0.124 0.000 0.752 702 E HN 0.379 nan 8.360 nan 0.000 0.449 703 A N 0.334 123.195 122.820 0.068 0.000 2.072 703 A HA 0.322 4.636 4.320 -0.011 0.000 0.216 703 A C 1.060 178.684 177.584 0.066 0.000 1.156 703 A CA 1.126 53.235 52.037 0.119 0.000 0.701 703 A CB -0.027 19.150 19.000 0.295 0.000 0.816 703 A HN 0.265 nan 8.150 nan 0.000 0.458 704 G N -0.578 108.228 108.800 0.010 0.000 3.055 704 G HA2 -0.094 3.860 3.960 -0.011 0.000 0.686 704 G HA3 -0.094 3.860 3.960 -0.011 0.000 0.686 704 G C -0.015 174.882 174.900 -0.005 0.000 1.087 704 G CA 0.009 45.104 45.100 -0.007 0.000 0.779 704 G HN 0.239 nan 8.290 nan 0.000 0.599 705 E N 0.955 121.131 120.200 -0.039 0.000 2.209 705 E HA -0.180 4.164 4.350 -0.011 0.000 0.196 705 E C 2.035 178.625 176.600 -0.017 0.000 0.993 705 E CA 1.763 58.144 56.400 -0.032 0.000 0.819 705 E CB 0.083 29.758 29.700 -0.042 0.000 0.745 705 E HN 0.769 nan 8.360 nan 0.000 0.477 706 E N 0.650 120.829 120.200 -0.035 0.000 2.338 706 E HA -0.097 4.247 4.350 -0.011 0.000 0.197 706 E C 0.995 177.512 176.600 -0.139 0.000 1.007 706 E CA 0.636 56.991 56.400 -0.076 0.000 0.849 706 E CB -0.038 29.629 29.700 -0.056 0.000 0.774 706 E HN 0.150 nan 8.360 nan 0.000 0.506 707 N N -0.419 118.238 118.700 -0.072 0.000 2.235 707 N HA 0.148 4.882 4.740 -0.011 0.000 0.209 707 N C -0.890 174.541 175.510 -0.132 0.000 1.122 707 N CA 0.103 53.083 53.050 -0.117 0.000 0.845 707 N CB 0.387 38.864 38.487 -0.017 0.000 1.004 707 N HN 0.049 nan 8.380 nan 0.000 0.499 708 F N -0.550 119.195 119.950 -0.340 0.000 2.593 708 F HA 0.431 4.951 4.527 -0.011 0.000 0.320 708 F C -0.567 175.000 175.800 -0.388 0.000 1.060 708 F CA -1.075 56.761 58.000 -0.273 0.000 0.940 708 F CB 1.308 40.241 39.000 -0.113 0.000 1.268 708 F HN -0.228 nan 8.300 nan 0.000 0.475 709 F N 3.893 123.905 119.950 0.102 0.000 2.318 709 F HA 0.453 4.974 4.527 -0.010 0.000 0.356 709 F C -0.230 175.711 175.800 0.235 0.000 1.109 709 F CA -0.442 57.628 58.000 0.117 0.000 1.234 709 F CB 0.126 39.146 39.000 0.033 0.000 1.545 709 F HN 0.047 nan 8.300 nan 0.000 0.534 710 I N 3.898 124.664 120.570 0.327 0.000 2.396 710 I HA 0.382 4.546 4.170 -0.011 0.000 0.292 710 I C -0.274 176.022 176.117 0.300 0.000 0.999 710 I CA -0.614 60.835 61.300 0.249 0.000 1.310 710 I CB 0.787 38.853 38.000 0.111 0.000 1.404 710 I HN 0.333 nan 8.210 nan 0.000 0.496 711 F N 3.596 123.609 119.950 0.105 0.000 2.685 711 F HA 0.944 5.464 4.527 -0.011 0.000 0.315 711 F C 0.026 175.865 175.800 0.064 0.000 1.126 711 F CA -0.682 57.372 58.000 0.089 0.000 0.950 711 F CB 1.006 40.075 39.000 0.115 0.000 1.360 711 F HN 0.775 nan 8.300 nan 0.000 0.469 712 G N 0.992 109.843 108.800 0.085 0.000 2.757 712 G HA2 -0.070 3.883 3.960 -0.011 0.000 0.638 712 G HA3 -0.070 3.883 3.960 -0.011 0.000 0.638 712 G C -0.905 173.961 174.900 -0.056 0.000 1.344 712 G CA -0.652 44.438 45.100 -0.016 0.000 0.855 712 G HN 0.954 nan 8.290 nan 0.000 0.537 713 M N 0.909 120.488 119.600 -0.036 0.000 2.248 713 M HA 0.196 4.670 4.480 -0.011 0.000 0.345 713 M C 1.202 177.464 176.300 -0.064 0.000 1.243 713 M CA 0.081 55.367 55.300 -0.024 0.000 1.090 713 M CB 0.258 32.853 32.600 -0.008 0.000 1.683 713 M HN 0.512 nan 8.290 nan 0.000 0.450 714 R N 1.859 122.335 120.500 -0.039 0.000 2.546 714 R HA 0.256 4.590 4.340 -0.011 0.000 0.266 714 R C 1.236 177.517 176.300 -0.033 0.000 1.086 714 R CA -0.562 55.511 56.100 -0.045 0.000 1.160 714 R CB -0.030 30.251 30.300 -0.032 0.000 1.138 714 R HN 0.575 nan 8.270 nan 0.000 0.567 715 V N 1.550 121.444 119.914 -0.034 0.000 2.278 715 V HA -0.296 3.818 4.120 -0.011 0.000 0.251 715 V C 1.888 177.972 176.094 -0.017 0.000 1.062 715 V CA 2.150 64.434 62.300 -0.026 0.000 1.038 715 V CB -0.482 31.325 31.823 -0.028 0.000 0.646 715 V HN 0.640 nan 8.190 nan 0.000 0.447 716 E N 0.081 120.272 120.200 -0.014 0.000 2.110 716 E HA -0.189 4.155 4.350 -0.011 0.000 0.193 716 E C 1.961 178.564 176.600 0.005 0.000 0.988 716 E CA 1.389 57.785 56.400 -0.006 0.000 0.804 716 E CB -0.376 29.321 29.700 -0.005 0.000 0.745 716 E HN 0.629 nan 8.360 nan 0.000 0.458 717 D N -0.143 120.261 120.400 0.007 0.000 2.144 717 D HA -0.100 4.533 4.640 -0.011 0.000 0.200 717 D C 1.974 178.288 176.300 0.025 0.000 0.978 717 D CA 0.875 54.889 54.000 0.023 0.000 0.833 717 D CB -0.055 40.761 40.800 0.027 0.000 0.961 717 D HN 0.074 nan 8.370 nan 0.000 0.470 718 V N 1.812 121.729 119.914 0.005 0.000 2.307 718 V HA -0.205 3.908 4.120 -0.011 0.000 0.245 718 V C 1.954 178.049 176.094 0.002 0.000 1.045 718 V CA 1.644 63.941 62.300 -0.006 0.000 1.024 718 V CB -0.427 31.383 31.823 -0.022 0.000 0.651 718 V HN 0.013 nan 8.190 nan 0.000 0.449 719 D N -0.008 120.392 120.400 0.001 0.000 2.123 719 D HA -0.160 4.474 4.640 -0.011 0.000 0.196 719 D C 2.404 178.715 176.300 0.018 0.000 0.992 719 D CA 1.280 55.282 54.000 0.004 0.000 0.833 719 D CB -0.278 40.521 40.800 -0.002 0.000 0.954 719 D HN 0.340 nan 8.370 nan 0.000 0.455 720 R N 0.050 120.566 120.500 0.026 0.000 2.091 720 R HA -0.042 4.292 4.340 -0.011 0.000 0.238 720 R C 2.499 178.833 176.300 0.056 0.000 1.136 720 R CA 0.587 56.710 56.100 0.038 0.000 0.959 720 R CB -0.391 29.933 30.300 0.040 0.000 0.856 720 R HN 0.202 nan 8.270 nan 0.000 0.437 721 L N 0.594 121.859 121.223 0.071 0.000 2.093 721 L HA -0.210 4.124 4.340 -0.011 0.000 0.208 721 L C 1.499 178.432 176.870 0.106 0.000 1.085 721 L CA 1.335 56.243 54.840 0.114 0.000 0.755 721 L CB -0.283 41.859 42.059 0.139 0.000 0.904 721 L HN 0.247 nan 8.230 nan 0.000 0.435 722 D N -0.485 119.953 120.400 0.063 0.000 2.117 722 D HA -0.216 4.418 4.640 -0.011 0.000 0.197 722 D C 2.204 178.534 176.300 0.049 0.000 0.987 722 D CA 1.149 55.179 54.000 0.050 0.000 0.829 722 D CB -0.050 40.760 40.800 0.016 0.000 0.961 722 D HN 0.433 nan 8.370 nan 0.000 0.460 723 Q N 0.042 119.867 119.800 0.041 0.000 2.084 723 Q HA -0.108 4.226 4.340 -0.011 0.000 0.202 723 Q C 2.268 178.293 176.000 0.041 0.000 0.978 723 Q CA 0.982 56.806 55.803 0.035 0.000 0.844 723 Q CB 0.024 28.779 28.738 0.028 0.000 0.898 723 Q HN 0.134 nan 8.270 nan 0.000 0.426 724 R N -0.426 120.106 120.500 0.054 0.000 2.090 724 R HA 0.006 4.339 4.340 -0.011 0.000 0.228 724 R C -0.075 176.262 176.300 0.061 0.000 1.110 724 R CA 0.908 57.041 56.100 0.055 0.000 0.973 724 R CB 0.227 30.567 30.300 0.067 0.000 0.869 724 R HN 0.292 nan 8.270 nan 0.000 0.440 725 G N -0.274 108.577 108.800 0.085 0.000 3.434 725 G HA2 -0.254 3.700 3.960 -0.011 0.000 0.686 725 G HA3 -0.254 3.700 3.960 -0.011 0.000 0.686 725 G C -1.345 173.643 174.900 0.148 0.000 1.099 725 G CA -0.417 44.741 45.100 0.096 0.000 0.931 725 G HN 0.271 nan 8.290 nan 0.000 0.520 726 Y N 3.190 123.518 120.300 0.046 0.000 2.480 726 Y HA 0.565 5.109 4.550 -0.010 0.000 0.341 726 Y C 0.286 176.231 175.900 0.075 0.000 1.031 726 Y CA -1.006 57.140 58.100 0.076 0.000 1.295 726 Y CB 1.074 39.564 38.460 0.050 0.000 1.162 726 Y HN 0.631 nan 8.280 nan 0.000 0.523 727 N N 4.872 123.361 118.700 -0.352 0.000 2.564 727 N HA 0.357 5.090 4.740 -0.011 0.000 0.248 727 N C 0.246 175.499 175.510 -0.429 0.000 0.986 727 N CA 0.219 53.059 53.050 -0.350 0.000 0.921 727 N CB 1.210 39.615 38.487 -0.138 0.000 1.136 727 N HN 0.758 nan 8.380 nan 0.000 0.509 728 A N 2.865 125.335 122.820 -0.584 0.000 1.972 728 A HA -0.183 4.130 4.320 -0.011 0.000 0.219 728 A C 1.870 179.552 177.584 0.163 0.000 1.169 728 A CA 1.425 53.329 52.037 -0.222 0.000 0.635 728 A CB -0.464 18.315 19.000 -0.369 0.000 0.810 728 A HN 0.716 nan 8.150 nan 0.000 0.446 729 Q N 0.297 120.094 119.800 -0.004 0.000 2.152 729 Q HA -0.236 4.098 4.340 -0.011 0.000 0.206 729 Q C 1.884 177.952 176.000 0.113 0.000 0.985 729 Q CA 2.290 58.120 55.803 0.046 0.000 0.863 729 Q CB -0.364 28.355 28.738 -0.032 0.000 0.904 729 Q HN 0.777 nan 8.270 nan 0.000 0.422 730 E N -1.357 118.850 120.200 0.012 0.000 2.070 730 E HA -0.254 4.090 4.350 -0.011 0.000 0.197 730 E C 1.601 178.141 176.600 -0.099 0.000 1.004 730 E CA 1.589 57.929 56.400 -0.100 0.000 0.805 730 E CB -0.256 29.284 29.700 -0.267 0.000 0.744 730 E HN 0.600 nan 8.360 nan 0.000 0.451 731 Y N -1.081 119.293 120.300 0.122 0.000 2.200 731 Y HA -0.214 4.330 4.550 -0.011 0.000 0.290 731 Y C 2.266 178.178 175.900 0.020 0.000 1.137 731 Y CA 1.547 59.711 58.100 0.106 0.000 1.163 731 Y CB -0.701 37.880 38.460 0.201 0.000 0.988 731 Y HN 0.235 nan 8.280 nan 0.000 0.518 732 Y N 1.369 121.719 120.300 0.082 0.000 2.165 732 Y HA -0.289 4.255 4.550 -0.010 0.000 0.286 732 Y C 1.817 177.695 175.900 -0.037 0.000 1.155 732 Y CA 1.892 59.963 58.100 -0.048 0.000 1.164 732 Y CB -0.410 38.077 38.460 0.045 0.000 0.978 732 Y HN 0.092 nan 8.280 nan 0.000 0.513 733 D N -0.390 120.113 120.400 0.171 0.000 2.183 733 D HA -0.093 4.540 4.640 -0.011 0.000 0.203 733 D C 1.820 178.102 176.300 -0.030 0.000 0.969 733 D CA 1.200 55.240 54.000 0.067 0.000 0.842 733 D CB -0.085 40.769 40.800 0.089 0.000 0.957 733 D HN 0.485 nan 8.370 nan 0.000 0.484 734 R N -0.247 120.235 120.500 -0.029 0.000 2.334 734 R HA 0.286 4.619 4.340 -0.011 0.000 0.212 734 R C 0.328 176.612 176.300 -0.026 0.000 0.897 734 R CA 0.063 56.145 56.100 -0.030 0.000 1.056 734 R CB 1.183 31.463 30.300 -0.032 0.000 1.046 734 R HN 0.144 nan 8.270 nan 0.000 0.513 735 I N 2.222 122.759 120.570 -0.055 0.000 2.464 735 I HA 0.229 4.392 4.170 -0.011 0.000 0.277 735 I C -1.963 174.071 176.117 -0.138 0.000 1.040 735 I CA -2.304 58.968 61.300 -0.047 0.000 1.153 735 I CB 2.161 40.170 38.000 0.014 0.000 1.274 735 I HN -0.289 nan 8.210 nan 0.000 0.469 736 P HA -0.149 nan 4.420 nan 0.000 0.216 736 P C 1.202 178.414 177.300 -0.146 0.000 1.150 736 P CA 1.311 64.326 63.100 -0.142 0.000 0.837 736 P CB 0.325 31.973 31.700 -0.088 0.000 0.786 737 E N -1.032 119.118 120.200 -0.083 0.000 2.150 737 E HA -0.150 4.193 4.350 -0.011 0.000 0.193 737 E C 1.823 178.336 176.600 -0.145 0.000 0.985 737 E CA 0.610 56.977 56.400 -0.056 0.000 0.814 737 E CB -0.515 29.219 29.700 0.057 0.000 0.752 737 E HN 0.124 nan 8.360 nan 0.000 0.466 738 L N 1.045 122.098 121.223 -0.282 0.000 2.072 738 L HA -0.099 4.235 4.340 -0.011 0.000 0.205 738 L C 2.332 178.942 176.870 -0.434 0.000 1.079 738 L CA 1.538 56.048 54.840 -0.550 0.000 0.752 738 L CB -0.239 41.341 42.059 -0.797 0.000 0.906 738 L HN -0.104 nan 8.230 nan 0.000 0.436 739 R N -0.795 119.427 120.500 -0.463 0.000 2.083 739 R HA -0.250 4.084 4.340 -0.011 0.000 0.237 739 R C 2.409 178.544 176.300 -0.275 0.000 1.137 739 R CA 2.051 57.796 56.100 -0.591 0.000 0.951 739 R CB -0.361 29.514 30.300 -0.707 0.000 0.851 739 R HN 0.595 nan 8.270 nan 0.000 0.434 740 Q N 0.409 120.086 119.800 -0.205 0.000 2.077 740 Q HA -0.205 4.128 4.340 -0.011 0.000 0.206 740 Q C 2.067 178.019 176.000 -0.080 0.000 0.989 740 Q CA 2.127 57.855 55.803 -0.126 0.000 0.853 740 Q CB -0.135 28.532 28.738 -0.119 0.000 0.907 740 Q HN 0.472 nan 8.270 nan 0.000 0.418 741 I N 0.524 121.045 120.570 -0.082 0.000 2.179 741 I HA -0.289 3.875 4.170 -0.011 0.000 0.242 741 I C 2.149 178.293 176.117 0.045 0.000 1.088 741 I CA 0.674 61.965 61.300 -0.015 0.000 1.357 741 I CB -0.320 37.645 38.000 -0.059 0.000 1.051 741 I HN 0.312 nan 8.210 nan 0.000 0.409 742 I N 0.852 121.447 120.570 0.041 0.000 2.286 742 I HA -0.245 3.918 4.170 -0.011 0.000 0.248 742 I C 2.434 178.655 176.117 0.174 0.000 1.115 742 I CA 1.688 63.083 61.300 0.159 0.000 1.392 742 I CB -1.239 36.947 38.000 0.309 0.000 1.065 742 I HN 0.350 nan 8.210 nan 0.000 0.418 743 E N 0.258 120.537 120.200 0.132 0.000 2.106 743 E HA -0.220 4.124 4.350 -0.011 0.000 0.192 743 E C 2.176 178.842 176.600 0.110 0.000 0.984 743 E CA 0.824 57.295 56.400 0.118 0.000 0.806 743 E CB -0.089 29.651 29.700 0.067 0.000 0.750 743 E HN 0.565 nan 8.360 nan 0.000 0.458 744 Q N 0.472 120.324 119.800 0.086 0.000 2.050 744 Q HA -0.144 4.190 4.340 -0.011 0.000 0.202 744 Q C 2.342 178.524 176.000 0.304 0.000 0.980 744 Q CA 1.058 56.934 55.803 0.123 0.000 0.840 744 Q CB -0.059 28.696 28.738 0.029 0.000 0.898 744 Q HN 0.300 nan 8.270 nan 0.000 0.424 745 L N -0.044 121.362 121.223 0.305 0.000 2.017 745 L HA -0.205 4.129 4.340 -0.011 0.000 0.208 745 L C 2.478 179.531 176.870 0.306 0.000 1.073 745 L CA 1.054 56.091 54.840 0.329 0.000 0.745 745 L CB -0.433 41.742 42.059 0.193 0.000 0.894 745 L HN 0.157 nan 8.230 nan 0.000 0.432 746 S N -0.195 115.642 115.700 0.228 0.000 2.368 746 S HA -0.169 4.294 4.470 -0.011 0.000 0.225 746 S C 2.089 176.793 174.600 0.173 0.000 1.030 746 S CA 1.639 59.952 58.200 0.189 0.000 0.999 746 S CB -0.270 63.023 63.200 0.155 0.000 0.844 746 S HN 0.618 nan 8.310 nan 0.000 0.459 747 S N 0.300 116.103 115.700 0.173 0.000 2.522 747 S HA 0.318 4.782 4.470 -0.011 0.000 0.227 747 S C 1.431 176.122 174.600 0.153 0.000 0.986 747 S CA 0.718 59.004 58.200 0.144 0.000 0.929 747 S CB -0.038 63.239 63.200 0.129 0.000 0.769 747 S HN 0.850 nan 8.310 nan 0.000 0.529 748 G N 0.525 109.448 108.800 0.204 0.000 2.131 748 G HA2 -0.265 3.689 3.960 -0.011 0.000 0.201 748 G HA3 -0.265 3.689 3.960 -0.011 0.000 0.201 748 G C 0.166 175.162 174.900 0.160 0.000 1.000 748 G CA 0.075 45.285 45.100 0.183 0.000 0.680 748 G HN 0.493 nan 8.290 nan 0.000 0.514 749 F N 0.255 120.217 119.950 0.021 0.000 2.161 749 F HA 0.170 4.690 4.527 -0.011 0.000 0.300 749 F C 1.879 177.492 175.800 -0.313 0.000 1.089 749 F CA 1.989 59.878 58.000 -0.185 0.000 1.282 749 F CB -0.031 38.779 39.000 -0.316 0.000 1.010 749 F HN 0.181 nan 8.300 nan 0.000 0.485 750 F N -0.391 119.677 119.950 0.197 0.000 2.693 750 F HA 0.195 4.716 4.527 -0.011 0.000 0.303 750 F C 0.651 176.552 175.800 0.169 0.000 1.097 750 F CA 0.240 58.315 58.000 0.124 0.000 1.330 750 F CB -0.082 39.008 39.000 0.149 0.000 1.067 750 F HN -0.036 nan 8.300 nan 0.000 0.565 751 S N -1.838 114.002 115.700 0.233 0.000 2.564 751 S HA 0.313 4.777 4.470 -0.011 0.000 0.141 751 S C -2.493 172.123 174.600 0.026 0.000 1.474 751 S CA -0.983 57.280 58.200 0.105 0.000 1.236 751 S CB 0.836 64.051 63.200 0.025 0.000 1.481 751 S HN -0.174 nan 8.310 nan 0.000 0.397 752 P HA -0.034 nan 4.420 nan 0.000 0.218 752 P C 1.140 178.429 177.300 -0.018 0.000 1.149 752 P CA 1.073 64.150 63.100 -0.037 0.000 0.817 752 P CB 0.117 31.768 31.700 -0.082 0.000 0.785 753 K N -0.788 119.603 120.400 -0.016 0.000 2.167 753 K HA -0.019 4.295 4.320 -0.011 0.000 0.203 753 K C 0.706 177.303 176.600 -0.005 0.000 1.052 753 K CA 0.905 57.187 56.287 -0.009 0.000 0.956 753 K CB -0.019 32.478 32.500 -0.005 0.000 0.735 753 K HN 0.314 nan 8.250 nan 0.000 0.451 754 Q N 0.063 119.857 119.800 -0.010 0.000 2.798 754 Q HA 0.171 4.504 4.340 -0.011 0.000 0.250 754 Q C -2.400 173.589 176.000 -0.018 0.000 1.006 754 Q CA -1.702 54.091 55.803 -0.017 0.000 0.759 754 Q CB 1.524 30.245 28.738 -0.028 0.000 1.201 754 Q HN -0.077 nan 8.270 nan 0.000 0.486 755 P HA -0.215 nan 4.420 nan 0.000 0.217 755 P C 0.557 177.889 177.300 0.053 0.000 1.148 755 P CA 1.427 64.552 63.100 0.041 0.000 0.828 755 P CB 0.202 31.927 31.700 0.042 0.000 0.783 756 D N -1.318 119.098 120.400 0.026 0.000 2.427 756 D HA 0.005 4.639 4.640 -0.011 0.000 0.224 756 D C 1.482 177.779 176.300 -0.006 0.000 1.157 756 D CA -0.314 53.709 54.000 0.039 0.000 0.828 756 D CB -0.564 40.262 40.800 0.044 0.000 0.974 756 D HN -0.001 nan 8.370 nan 0.000 0.498 757 L N -0.161 120.992 121.223 -0.117 0.000 2.079 757 L HA -0.012 4.322 4.340 -0.011 0.000 0.210 757 L C 1.176 177.847 176.870 -0.333 0.000 1.081 757 L CA 1.684 56.336 54.840 -0.314 0.000 0.752 757 L CB -0.611 41.064 42.059 -0.640 0.000 0.896 757 L HN 0.019 nan 8.230 nan 0.000 0.433 758 F N -0.726 119.281 119.950 0.095 0.000 2.639 758 F HA 0.121 4.642 4.527 -0.010 0.000 0.300 758 F C 1.860 177.714 175.800 0.090 0.000 1.109 758 F CA -0.167 57.879 58.000 0.078 0.000 1.335 758 F CB -0.256 38.780 39.000 0.059 0.000 1.014 758 F HN 0.101 nan 8.300 nan 0.000 0.537 759 K N -0.356 120.165 120.400 0.203 0.000 2.147 759 K HA -0.177 4.137 4.320 -0.011 0.000 0.205 759 K C 0.970 177.674 176.600 0.174 0.000 1.049 759 K CA 1.920 58.309 56.287 0.171 0.000 0.936 759 K CB -0.251 32.324 32.500 0.124 0.000 0.722 759 K HN 0.051 nan 8.250 nan 0.000 0.446 760 D N 1.311 121.822 120.400 0.186 0.000 2.144 760 D HA -0.090 4.543 4.640 -0.011 0.000 0.199 760 D C 1.999 178.407 176.300 0.179 0.000 0.984 760 D CA 1.115 55.232 54.000 0.194 0.000 0.834 760 D CB -0.111 40.841 40.800 0.253 0.000 0.955 760 D HN 0.306 nan 8.370 nan 0.000 0.465 761 I N 0.314 120.993 120.570 0.180 0.000 2.202 761 I HA -0.213 3.950 4.170 -0.011 0.000 0.242 761 I C 2.398 178.582 176.117 0.112 0.000 1.091 761 I CA 0.588 61.967 61.300 0.131 0.000 1.368 761 I CB -0.222 37.846 38.000 0.115 0.000 1.058 761 I HN -0.110 nan 8.210 nan 0.000 0.410 762 V N 1.033 121.029 119.914 0.137 0.000 2.332 762 V HA -0.299 3.815 4.120 -0.011 0.000 0.248 762 V C 2.265 178.403 176.094 0.073 0.000 1.055 762 V CA 1.921 64.289 62.300 0.114 0.000 1.038 762 V CB -0.882 31.024 31.823 0.139 0.000 0.651 762 V HN 0.474 nan 8.190 nan 0.000 0.450 763 N N -0.367 118.411 118.700 0.130 0.000 2.084 763 N HA -0.187 4.547 4.740 -0.011 0.000 0.190 763 N C 1.902 177.521 175.510 0.182 0.000 1.030 763 N CA 1.798 54.965 53.050 0.196 0.000 0.849 763 N CB -0.220 38.415 38.487 0.247 0.000 1.012 763 N HN 0.360 nan 8.380 nan 0.000 0.423 764 M N 0.718 120.421 119.600 0.172 0.000 2.080 764 M HA -0.153 4.321 4.480 -0.011 0.000 0.260 764 M C 1.751 178.064 176.300 0.020 0.000 1.068 764 M CA 1.234 56.635 55.300 0.167 0.000 1.109 764 M CB -0.598 32.092 32.600 0.150 0.000 1.342 764 M HN 0.029 nan 8.290 nan 0.000 0.405 765 L N 0.663 121.847 121.223 -0.066 0.000 2.042 765 L HA -0.215 4.118 4.340 -0.011 0.000 0.210 765 L C 2.456 179.039 176.870 -0.478 0.000 1.076 765 L CA 1.695 56.365 54.840 -0.284 0.000 0.749 765 L CB -1.101 40.825 42.059 -0.222 0.000 0.893 765 L HN 0.355 nan 8.230 nan 0.000 0.432 766 M N -1.980 117.387 119.600 -0.388 0.000 2.288 766 M HA -0.056 4.417 4.480 -0.011 0.000 0.266 766 M C 1.733 177.577 176.300 -0.759 0.000 1.072 766 M CA 1.369 56.312 55.300 -0.596 0.000 1.132 766 M CB -0.708 31.450 32.600 -0.737 0.000 1.386 766 M HN 0.348 nan 8.290 nan 0.000 0.432 767 H N -2.594 116.326 119.070 -0.250 0.000 3.400 767 H HA 0.271 4.821 4.556 -0.010 0.000 0.251 767 H C 0.322 175.279 175.328 -0.617 0.000 1.040 767 H CA 0.361 56.124 56.048 -0.475 0.000 1.175 767 H CB 0.784 30.155 29.762 -0.651 0.000 1.487 767 H HN 0.407 nan 8.280 nan 0.000 0.505 768 H N 0.495 119.614 119.070 0.082 0.000 2.790 768 H HA 0.139 4.688 4.556 -0.011 0.000 0.232 768 H C -0.658 174.692 175.328 0.037 0.000 1.313 768 H CA -0.204 55.884 56.048 0.067 0.000 1.011 768 H CB 1.074 30.881 29.762 0.075 0.000 2.105 768 H HN 0.124 nan 8.280 nan 0.000 0.580 769 D N 1.190 121.650 120.400 0.101 0.000 2.411 769 D HA 0.121 4.755 4.640 -0.011 0.000 0.225 769 D C 1.190 177.448 176.300 -0.071 0.000 1.156 769 D CA -0.341 53.689 54.000 0.049 0.000 0.874 769 D CB 0.612 41.427 40.800 0.026 0.000 1.034 769 D HN 0.172 nan 8.370 nan 0.000 0.502 770 R N 2.285 122.638 120.500 -0.245 0.000 2.237 770 R HA -0.045 4.288 4.340 -0.011 0.000 0.219 770 R C 0.549 176.347 176.300 -0.836 0.000 1.080 770 R CA 0.909 56.638 56.100 -0.619 0.000 0.995 770 R CB 0.111 29.822 30.300 -0.982 0.000 0.875 770 R HN 0.417 nan 8.270 nan 0.000 0.462 771 F N 0.070 119.988 119.950 -0.053 0.000 2.688 771 F HA 0.276 4.796 4.527 -0.010 0.000 0.310 771 F C 0.061 175.754 175.800 -0.180 0.000 1.098 771 F CA -0.673 57.283 58.000 -0.072 0.000 1.228 771 F CB 0.300 39.319 39.000 0.033 0.000 1.042 771 F HN -0.252 nan 8.300 nan 0.000 0.557 772 K N -0.314 119.919 120.400 -0.278 0.000 3.150 772 K HA -0.172 4.142 4.320 -0.011 0.000 0.267 772 K C 0.963 177.456 176.600 -0.177 0.000 1.028 772 K CA 0.220 56.159 56.287 -0.579 0.000 0.753 772 K CB -1.913 30.164 32.500 -0.704 0.000 1.288 772 K HN 0.202 nan 8.250 nan 0.000 0.473 773 V N -0.032 119.863 119.914 -0.031 0.000 2.282 773 V HA -0.297 3.816 4.120 -0.011 0.000 0.249 773 V C 1.959 178.203 176.094 0.251 0.000 1.057 773 V CA 2.379 64.739 62.300 0.100 0.000 1.032 773 V CB -0.512 31.380 31.823 0.115 0.000 0.645 773 V HN 0.487 nan 8.190 nan 0.000 0.447 774 F N 0.172 120.126 119.950 0.007 0.000 2.171 774 F HA -0.176 4.345 4.527 -0.011 0.000 0.300 774 F C 2.524 178.103 175.800 -0.367 0.000 1.090 774 F CA 0.628 58.569 58.000 -0.097 0.000 1.293 774 F CB -0.367 38.594 39.000 -0.066 0.000 1.013 774 F HN 0.196 nan 8.300 nan 0.000 0.486 775 A N -0.481 122.169 122.820 -0.283 0.000 2.019 775 A HA -0.196 4.118 4.320 -0.011 0.000 0.219 775 A C 1.472 179.040 177.584 -0.027 0.000 1.164 775 A CA 1.870 53.659 52.037 -0.413 0.000 0.644 775 A CB -0.455 18.453 19.000 -0.152 0.000 0.805 775 A HN 0.230 nan 8.150 nan 0.000 0.449 776 D N -2.787 117.662 120.400 0.081 0.000 2.369 776 D HA 0.088 4.721 4.640 -0.011 0.000 0.211 776 D C 1.154 177.612 176.300 0.264 0.000 1.077 776 D CA -0.017 54.107 54.000 0.207 0.000 0.842 776 D CB -0.099 40.842 40.800 0.236 0.000 0.947 776 D HN 0.603 nan 8.370 nan 0.000 0.509 777 Y N 2.076 122.448 120.300 0.121 0.000 2.114 777 Y HA -0.200 4.344 4.550 -0.010 0.000 0.284 777 Y C 2.071 178.047 175.900 0.125 0.000 1.143 777 Y CA 1.829 60.009 58.100 0.133 0.000 1.135 777 Y CB 0.193 38.694 38.460 0.069 0.000 0.980 777 Y HN -0.115 nan 8.280 nan 0.000 0.499 778 E N 0.041 120.292 120.200 0.084 0.000 2.038 778 E HA -0.248 4.096 4.350 -0.011 0.000 0.195 778 E C 2.177 178.741 176.600 -0.059 0.000 1.000 778 E CA 1.588 57.970 56.400 -0.030 0.000 0.803 778 E CB -0.200 29.584 29.700 0.139 0.000 0.750 778 E HN 0.631 nan 8.360 nan 0.000 0.448 779 E N -0.151 120.091 120.200 0.069 0.000 2.110 779 E HA -0.206 4.138 4.350 -0.011 0.000 0.193 779 E C 1.944 178.541 176.600 -0.005 0.000 0.988 779 E CA 0.815 57.281 56.400 0.109 0.000 0.804 779 E CB -0.138 29.719 29.700 0.261 0.000 0.745 779 E HN 0.262 nan 8.360 nan 0.000 0.458 780 Y N 1.225 121.341 120.300 -0.307 0.000 2.145 780 Y HA -0.223 4.321 4.550 -0.011 0.000 0.286 780 Y C 2.157 177.671 175.900 -0.643 0.000 1.145 780 Y CA 1.007 58.614 58.100 -0.821 0.000 1.148 780 Y CB -0.508 37.511 38.460 -0.736 0.000 0.981 780 Y HN -0.204 nan 8.280 nan 0.000 0.507 781 V N 0.707 120.269 119.914 -0.588 0.000 2.343 781 V HA -0.330 3.784 4.120 -0.011 0.000 0.247 781 V C 2.302 178.164 176.094 -0.387 0.000 1.051 781 V CA 2.373 64.337 62.300 -0.560 0.000 1.036 781 V CB -0.608 30.904 31.823 -0.517 0.000 0.654 781 V HN 0.326 nan 8.190 nan 0.000 0.451 782 K N -0.924 119.317 120.400 -0.266 0.000 2.057 782 K HA -0.206 4.108 4.320 -0.011 0.000 0.207 782 K C 2.304 178.815 176.600 -0.148 0.000 1.049 782 K CA 1.695 57.892 56.287 -0.150 0.000 0.931 782 K CB -0.612 31.848 32.500 -0.066 0.000 0.714 782 K HN 0.520 nan 8.250 nan 0.000 0.440 783 C N 1.540 120.730 119.300 -0.184 0.000 2.429 783 C HA -0.112 4.342 4.460 -0.011 0.000 0.277 783 C C 2.673 177.492 174.990 -0.285 0.000 1.262 783 C CA 0.885 59.823 59.018 -0.133 0.000 1.733 783 C CB -0.666 27.018 27.740 -0.093 0.000 2.010 783 C HN 0.434 nan 8.230 nan 0.000 0.483 784 Q N 0.411 119.900 119.800 -0.519 0.000 2.170 784 Q HA -0.183 4.150 4.340 -0.011 0.000 0.203 784 Q C 1.999 177.808 176.000 -0.317 0.000 0.976 784 Q CA 1.688 57.145 55.803 -0.576 0.000 0.858 784 Q CB -0.432 27.708 28.738 -0.996 0.000 0.907 784 Q HN 0.761 nan 8.270 nan 0.000 0.433 785 E N 0.214 120.284 120.200 -0.218 0.000 2.110 785 E HA -0.152 4.191 4.350 -0.011 0.000 0.193 785 E C 2.084 178.645 176.600 -0.065 0.000 0.988 785 E CA 0.637 56.971 56.400 -0.110 0.000 0.804 785 E CB -0.049 29.605 29.700 -0.076 0.000 0.745 785 E HN 0.268 nan 8.360 nan 0.000 0.458 786 R N 0.435 120.905 120.500 -0.050 0.000 2.115 786 R HA -0.080 4.253 4.340 -0.011 0.000 0.230 786 R C 2.412 178.732 176.300 0.034 0.000 1.111 786 R CA 0.835 56.976 56.100 0.067 0.000 0.976 786 R CB -0.258 30.157 30.300 0.192 0.000 0.870 786 R HN 0.070 nan 8.270 nan 0.000 0.445 787 V N 0.567 120.306 119.914 -0.292 0.000 2.295 787 V HA -0.238 3.876 4.120 -0.011 0.000 0.246 787 V C 2.178 178.249 176.094 -0.039 0.000 1.049 787 V CA 1.978 64.011 62.300 -0.444 0.000 1.024 787 V CB -0.375 31.064 31.823 -0.641 0.000 0.648 787 V HN 0.279 nan 8.190 nan 0.000 0.447 788 S N 0.146 115.800 115.700 -0.077 0.000 2.382 788 S HA -0.164 4.300 4.470 -0.011 0.000 0.228 788 S C 2.219 176.871 174.600 0.087 0.000 1.027 788 S CA 1.351 59.540 58.200 -0.019 0.000 0.991 788 S CB -0.506 62.659 63.200 -0.057 0.000 0.823 788 S HN 0.649 nan 8.310 nan 0.000 0.469 789 A N 1.350 124.226 122.820 0.093 0.000 1.883 789 A HA -0.083 4.230 4.320 -0.011 0.000 0.217 789 A C 2.123 179.819 177.584 0.186 0.000 1.186 789 A CA 1.490 53.604 52.037 0.127 0.000 0.624 789 A CB -0.741 18.327 19.000 0.113 0.000 0.822 789 A HN 0.424 nan 8.150 nan 0.000 0.444 790 L N -2.102 119.291 121.223 0.283 0.000 2.141 790 L HA -0.067 4.267 4.340 -0.011 0.000 0.209 790 L C 2.232 179.364 176.870 0.435 0.000 1.094 790 L CA 1.827 56.907 54.840 0.399 0.000 0.763 790 L CB -0.719 41.687 42.059 0.578 0.000 0.908 790 L HN 0.507 nan 8.230 nan 0.000 0.437 791 Y N 0.143 120.551 120.300 0.179 0.000 2.352 791 Y HA -0.212 4.332 4.550 -0.009 0.000 0.292 791 Y C 2.321 178.149 175.900 -0.120 0.000 1.136 791 Y CA 1.512 59.475 58.100 -0.228 0.000 1.227 791 Y CB -0.059 38.055 38.460 -0.578 0.000 0.991 791 Y HN 0.152 nan 8.280 nan 0.000 0.545 792 K N -0.055 120.388 120.400 0.071 0.000 2.360 792 K HA -0.153 4.161 4.320 -0.011 0.000 0.201 792 K C 0.390 176.974 176.600 -0.027 0.000 1.046 792 K CA 0.879 57.187 56.287 0.036 0.000 0.945 792 K CB -0.104 32.455 32.500 0.098 0.000 0.750 792 K HN 0.052 nan 8.250 nan 0.000 0.464 793 N N 0.334 119.033 118.700 -0.001 0.000 2.936 793 N HA 0.132 4.865 4.740 -0.011 0.000 0.243 793 N C -2.436 173.076 175.510 0.002 0.000 1.149 793 N CA -2.179 50.876 53.050 0.008 0.000 0.914 793 N CB 1.157 39.681 38.487 0.061 0.000 1.179 793 N HN -0.183 nan 8.380 nan 0.000 0.502 794 P HA -0.167 nan 4.420 nan 0.000 0.216 794 P C 1.382 178.695 177.300 0.022 0.000 1.153 794 P CA 1.087 64.118 63.100 -0.114 0.000 0.858 794 P CB 0.400 32.003 31.700 -0.162 0.000 0.789 795 R N 0.033 120.544 120.500 0.018 0.000 2.081 795 R HA -0.144 4.189 4.340 -0.011 0.000 0.235 795 R C 1.933 178.273 176.300 0.066 0.000 1.131 795 R CA 1.381 57.502 56.100 0.035 0.000 0.960 795 R CB -0.332 29.980 30.300 0.020 0.000 0.856 795 R HN 0.076 nan 8.270 nan 0.000 0.436 796 E N 0.003 120.252 120.200 0.082 0.000 2.107 796 E HA -0.212 4.132 4.350 -0.011 0.000 0.191 796 E C 1.596 178.269 176.600 0.122 0.000 0.982 796 E CA 0.607 57.059 56.400 0.087 0.000 0.809 796 E CB -0.480 29.271 29.700 0.084 0.000 0.756 796 E HN 0.497 nan 8.360 nan 0.000 0.459 797 W N 2.230 123.527 121.300 -0.005 0.000 2.317 797 W HA -0.230 4.423 4.660 -0.011 0.000 0.318 797 W C 1.675 178.196 176.519 0.003 0.000 1.227 797 W CA 2.312 59.666 57.345 0.014 0.000 1.269 797 W CB -0.466 28.968 29.460 -0.043 0.000 1.155 797 W HN 0.049 nan 8.180 nan 0.000 0.484 798 T N 1.063 115.736 114.554 0.199 0.000 2.788 798 T HA -0.170 4.174 4.350 -0.011 0.000 0.268 798 T C 1.831 176.529 174.700 -0.002 0.000 1.044 798 T CA 1.705 63.854 62.100 0.081 0.000 1.139 798 T CB -0.321 68.589 68.868 0.070 0.000 0.867 798 T HN 0.184 nan 8.240 nan 0.000 0.454 799 R N 0.454 120.962 120.500 0.013 0.000 2.096 799 R HA 0.068 4.401 4.340 -0.011 0.000 0.235 799 R C 2.507 178.788 176.300 -0.032 0.000 1.127 799 R CA 1.260 57.367 56.100 0.011 0.000 0.968 799 R CB -0.344 29.971 30.300 0.025 0.000 0.861 799 R HN 0.365 nan 8.270 nan 0.000 0.440 800 M N 0.452 119.994 119.600 -0.097 0.000 2.132 800 M HA -0.145 4.329 4.480 -0.011 0.000 0.263 800 M C 1.966 178.154 176.300 -0.186 0.000 1.065 800 M CA 1.397 56.599 55.300 -0.162 0.000 1.122 800 M CB 0.150 32.596 32.600 -0.256 0.000 1.365 800 M HN -0.012 nan 8.290 nan 0.000 0.411 801 V N 0.997 120.771 119.914 -0.233 0.000 2.287 801 V HA -0.330 3.783 4.120 -0.011 0.000 0.248 801 V C 2.212 178.273 176.094 -0.056 0.000 1.053 801 V CA 2.159 64.358 62.300 -0.169 0.000 1.027 801 V CB -0.675 31.069 31.823 -0.131 0.000 0.646 801 V HN 0.512 nan 8.190 nan 0.000 0.447 802 I N -0.525 120.038 120.570 -0.011 0.000 2.208 802 I HA -0.270 3.894 4.170 -0.011 0.000 0.245 802 I C 2.688 178.848 176.117 0.073 0.000 1.097 802 I CA 1.628 62.974 61.300 0.077 0.000 1.363 802 I CB -0.442 37.658 38.000 0.168 0.000 1.051 802 I HN 0.221 nan 8.210 nan 0.000 0.413 803 R N 0.444 120.964 120.500 0.033 0.000 2.152 803 R HA -0.118 4.215 4.340 -0.011 0.000 0.232 803 R C 2.021 178.350 176.300 0.049 0.000 1.117 803 R CA 1.206 57.327 56.100 0.035 0.000 0.981 803 R CB -0.462 29.844 30.300 0.010 0.000 0.870 803 R HN 0.541 nan 8.270 nan 0.000 0.451 804 N N 0.675 119.391 118.700 0.026 0.000 2.109 804 N HA -0.073 4.661 4.740 -0.011 0.000 0.188 804 N C 1.969 177.533 175.510 0.090 0.000 1.034 804 N CA 1.089 54.176 53.050 0.062 0.000 0.846 804 N CB -0.035 38.438 38.487 -0.025 0.000 1.010 804 N HN 0.110 nan 8.380 nan 0.000 0.425 805 I N 1.718 122.328 120.570 0.066 0.000 2.208 805 I HA -0.260 3.904 4.170 -0.011 0.000 0.245 805 I C 2.480 178.647 176.117 0.084 0.000 1.097 805 I CA 1.004 62.350 61.300 0.078 0.000 1.363 805 I CB -0.355 37.686 38.000 0.067 0.000 1.051 805 I HN 0.101 nan 8.210 nan 0.000 0.413 806 A N 0.280 123.148 122.820 0.081 0.000 2.019 806 A HA -0.176 4.138 4.320 -0.011 0.000 0.219 806 A C 2.084 179.706 177.584 0.064 0.000 1.164 806 A CA 2.125 54.201 52.037 0.065 0.000 0.644 806 A CB -0.871 18.169 19.000 0.067 0.000 0.805 806 A HN 0.546 nan 8.150 nan 0.000 0.449 807 T N -3.045 111.563 114.554 0.090 0.000 3.174 807 T HA 0.208 4.552 4.350 -0.011 0.000 0.269 807 T C 1.099 175.893 174.700 0.156 0.000 1.017 807 T CA 0.618 62.776 62.100 0.096 0.000 0.899 807 T CB -0.181 68.746 68.868 0.098 0.000 1.077 807 T HN 0.473 nan 8.240 nan 0.000 0.552 808 S N 0.046 115.854 115.700 0.179 0.000 2.558 808 S HA 0.230 4.693 4.470 -0.011 0.000 0.217 808 S C 2.226 176.952 174.600 0.210 0.000 0.975 808 S CA 0.319 58.694 58.200 0.293 0.000 0.912 808 S CB -0.665 62.680 63.200 0.241 0.000 0.776 808 S HN 0.534 nan 8.310 nan 0.000 0.526 809 G N 2.639 111.487 108.800 0.079 0.000 2.469 809 G HA2 -0.300 3.654 3.960 -0.011 0.000 0.220 809 G HA3 -0.300 3.654 3.960 -0.011 0.000 0.220 809 G C 1.323 176.172 174.900 -0.086 0.000 1.136 809 G CA 1.063 46.175 45.100 0.020 0.000 0.759 809 G HN 0.613 nan 8.290 nan 0.000 0.562 810 K N -0.209 120.016 120.400 -0.292 0.000 2.281 810 K HA -0.033 4.281 4.320 -0.011 0.000 0.203 810 K C 1.265 177.532 176.600 -0.556 0.000 1.046 810 K CA 0.803 56.768 56.287 -0.537 0.000 0.938 810 K CB -0.261 31.716 32.500 -0.872 0.000 0.737 810 K HN 0.430 nan 8.250 nan 0.000 0.458 811 F N 0.590 120.572 119.950 0.053 0.000 2.660 811 F HA 0.148 4.668 4.527 -0.011 0.000 0.302 811 F C 0.784 176.630 175.800 0.076 0.000 1.103 811 F CA -0.652 57.386 58.000 0.063 0.000 1.340 811 F CB 0.510 39.545 39.000 0.058 0.000 1.048 811 F HN -0.126 nan 8.300 nan 0.000 0.551 812 S N 0.457 116.244 115.700 0.145 0.000 2.531 812 S HA 0.031 4.495 4.470 -0.011 0.000 0.279 812 S C 1.490 176.173 174.600 0.138 0.000 1.305 812 S CA -0.093 58.186 58.200 0.131 0.000 1.058 812 S CB 0.737 63.984 63.200 0.077 0.000 0.899 812 S HN 0.376 nan 8.310 nan 0.000 0.493 813 S N 3.355 119.161 115.700 0.176 0.000 2.507 813 S HA -0.093 4.371 4.470 -0.011 0.000 0.235 813 S C 0.984 175.639 174.600 0.092 0.000 0.988 813 S CA 0.821 59.144 58.200 0.206 0.000 0.944 813 S CB -0.347 63.049 63.200 0.327 0.000 0.762 813 S HN 0.796 nan 8.310 nan 0.000 0.526 814 D N 1.851 122.289 120.400 0.063 0.000 2.144 814 D HA -0.085 4.548 4.640 -0.011 0.000 0.199 814 D C 2.098 178.403 176.300 0.007 0.000 0.984 814 D CA 0.778 54.793 54.000 0.024 0.000 0.834 814 D CB -0.344 40.467 40.800 0.019 0.000 0.955 814 D HN 0.303 nan 8.370 nan 0.000 0.465 815 R N 0.840 121.347 120.500 0.012 0.000 2.073 815 R HA -0.094 4.240 4.340 -0.011 0.000 0.234 815 R C 1.907 178.200 176.300 -0.011 0.000 1.134 815 R CA 1.461 57.554 56.100 -0.011 0.000 0.952 815 R CB -0.819 29.463 30.300 -0.030 0.000 0.850 815 R HN 0.122 nan 8.270 nan 0.000 0.433 816 T N 2.256 116.826 114.554 0.027 0.000 2.635 816 T HA -0.139 4.205 4.350 -0.011 0.000 0.267 816 T C 1.933 176.635 174.700 0.003 0.000 1.040 816 T CA 1.484 63.617 62.100 0.055 0.000 1.156 816 T CB -0.144 68.832 68.868 0.180 0.000 0.863 816 T HN 0.116 nan 8.240 nan 0.000 0.430 817 I N 1.612 122.108 120.570 -0.123 0.000 2.315 817 I HA -0.077 4.086 4.170 -0.011 0.000 0.248 817 I C 2.924 178.995 176.117 -0.077 0.000 1.117 817 I CA 0.930 62.120 61.300 -0.184 0.000 1.404 817 I CB -1.619 36.267 38.000 -0.192 0.000 1.071 817 I HN 0.199 nan 8.210 nan 0.000 0.419 818 A N 0.230 123.024 122.820 -0.044 0.000 1.940 818 A HA -0.237 4.076 4.320 -0.011 0.000 0.219 818 A C 2.252 179.794 177.584 -0.070 0.000 1.176 818 A CA 1.452 53.470 52.037 -0.031 0.000 0.631 818 A CB -0.526 18.462 19.000 -0.020 0.000 0.814 818 A HN 0.514 nan 8.150 nan 0.000 0.446 819 Q N -1.826 117.914 119.800 -0.099 0.000 2.049 819 Q HA -0.155 4.178 4.340 -0.011 0.000 0.198 819 Q C 1.937 177.769 176.000 -0.281 0.000 0.971 819 Q CA 1.603 57.308 55.803 -0.164 0.000 0.833 819 Q CB -0.326 28.308 28.738 -0.174 0.000 0.896 819 Q HN 0.814 nan 8.270 nan 0.000 0.434 820 Y N 0.712 120.728 120.300 -0.474 0.000 2.114 820 Y HA -0.313 4.230 4.550 -0.011 0.000 0.282 820 Y C 2.499 177.832 175.900 -0.944 0.000 1.165 820 Y CA 1.311 58.880 58.100 -0.886 0.000 1.148 820 Y CB -0.472 37.154 38.460 -1.389 0.000 0.972 820 Y HN 0.171 nan 8.280 nan 0.000 0.504 821 A N 0.254 122.842 122.820 -0.386 0.000 1.883 821 A HA -0.230 4.083 4.320 -0.011 0.000 0.217 821 A C 2.244 179.837 177.584 0.016 0.000 1.186 821 A CA 2.080 54.131 52.037 0.024 0.000 0.624 821 A CB -0.570 18.521 19.000 0.152 0.000 0.822 821 A HN 0.435 nan 8.150 nan 0.000 0.444 822 R N -0.759 119.712 120.500 -0.048 0.000 2.093 822 R HA -0.021 4.313 4.340 -0.011 0.000 0.224 822 R C 1.827 178.102 176.300 -0.041 0.000 1.101 822 R CA 1.443 57.528 56.100 -0.025 0.000 0.979 822 R CB -0.159 30.122 30.300 -0.031 0.000 0.877 822 R HN 0.663 nan 8.270 nan 0.000 0.441 823 E N -0.483 119.653 120.200 -0.108 0.000 2.415 823 E HA 0.093 4.436 4.350 -0.011 0.000 0.197 823 E C 1.460 178.012 176.600 -0.080 0.000 1.007 823 E CA 0.441 56.782 56.400 -0.098 0.000 0.890 823 E CB 0.552 30.166 29.700 -0.143 0.000 0.891 823 E HN 0.292 nan 8.360 nan 0.000 0.496 824 I N -1.103 119.384 120.570 -0.138 0.000 3.570 824 I HA 0.025 4.188 4.170 -0.011 0.000 0.270 824 I C 1.331 177.584 176.117 0.226 0.000 1.162 824 I CA -0.045 61.236 61.300 -0.032 0.000 1.413 824 I CB 0.254 38.099 38.000 -0.258 0.000 1.437 824 I HN 0.109 nan 8.210 nan 0.000 0.457 825 W N 1.517 122.908 121.300 0.152 0.000 2.737 825 W HA 0.341 4.995 4.660 -0.010 0.000 0.262 825 W C 1.448 178.004 176.519 0.060 0.000 1.282 825 W CA 0.723 58.140 57.345 0.120 0.000 1.386 825 W CB -1.046 28.473 29.460 0.099 0.000 1.099 825 W HN 0.302 nan 8.180 nan 0.000 0.621 826 G N 1.375 110.312 108.800 0.229 0.000 2.272 826 G HA2 -0.092 3.862 3.960 -0.011 0.000 0.280 826 G HA3 -0.092 3.862 3.960 -0.011 0.000 0.280 826 G C -0.334 174.637 174.900 0.118 0.000 1.067 826 G CA 0.280 45.456 45.100 0.127 0.000 0.902 826 G HN 0.451 nan 8.290 nan 0.000 0.500 827 V N -4.314 115.689 119.914 0.147 0.000 3.007 827 V HA 0.921 5.035 4.120 -0.011 0.000 0.311 827 V C -0.435 175.717 176.094 0.097 0.000 1.120 827 V CA -1.637 60.732 62.300 0.115 0.000 0.980 827 V CB 2.375 34.275 31.823 0.129 0.000 1.033 827 V HN 0.144 nan 8.190 nan 0.000 0.429 828 E N 2.900 123.141 120.200 0.068 0.000 2.156 828 E HA 0.558 4.902 4.350 -0.011 0.000 0.279 828 E C -2.571 174.065 176.600 0.060 0.000 0.965 828 E CA -1.755 54.678 56.400 0.055 0.000 0.789 828 E CB 1.740 31.465 29.700 0.040 0.000 1.098 828 E HN 0.712 nan 8.360 nan 0.000 0.397 829 P HA 0.089 nan 4.420 nan 0.000 0.269 829 P C -0.671 176.658 177.300 0.049 0.000 1.215 829 P CA -0.206 62.927 63.100 0.056 0.000 0.780 829 P CB 0.685 32.412 31.700 0.045 0.000 0.898 830 S N 1.098 116.830 115.700 0.052 0.000 2.614 830 S HA 0.317 4.781 4.470 -0.011 0.000 0.288 830 S C 0.392 175.019 174.600 0.045 0.000 1.137 830 S CA -0.691 57.539 58.200 0.050 0.000 0.992 830 S CB 0.656 63.893 63.200 0.063 0.000 1.026 830 S HN 0.226 nan 8.310 nan 0.000 0.486 831 R N 2.526 123.048 120.500 0.036 0.000 2.334 831 R HA 0.197 4.530 4.340 -0.011 0.000 0.220 831 R C 0.014 176.329 176.300 0.025 0.000 0.917 831 R CA 0.095 56.215 56.100 0.034 0.000 1.073 831 R CB 0.123 30.442 30.300 0.032 0.000 1.056 831 R HN 0.686 nan 8.270 nan 0.000 0.506 832 Q N 0.859 120.673 119.800 0.023 0.000 2.314 832 Q HA 0.150 4.484 4.340 -0.011 0.000 0.258 832 Q C -0.316 175.681 176.000 -0.005 0.000 0.954 832 Q CA -0.187 55.622 55.803 0.010 0.000 0.890 832 Q CB 1.120 29.866 28.738 0.014 0.000 1.210 832 Q HN -0.207 nan 8.270 nan 0.000 0.410 833 R N 1.438 121.926 120.500 -0.021 0.000 2.590 833 R HA 0.163 4.497 4.340 -0.011 0.000 0.274 833 R C -0.445 175.815 176.300 -0.066 0.000 1.061 833 R CA 0.119 56.194 56.100 -0.042 0.000 1.081 833 R CB 0.280 30.554 30.300 -0.044 0.000 0.984 833 R HN 0.486 nan 8.270 nan 0.000 0.448 834 L N 5.684 126.852 121.223 -0.092 0.000 2.395 834 L HA 0.335 4.669 4.340 -0.011 0.000 0.269 834 L C -1.668 175.142 176.870 -0.100 0.000 1.133 834 L CA -1.983 52.772 54.840 -0.143 0.000 0.812 834 L CB 0.976 42.924 42.059 -0.185 0.000 1.125 834 L HN 0.465 nan 8.230 nan 0.000 0.452 835 P HA 0.054 nan 4.420 nan 0.000 0.268 835 P C -0.582 176.687 177.300 -0.052 0.000 1.204 835 P CA -0.208 62.855 63.100 -0.061 0.000 0.768 835 P CB 0.791 32.459 31.700 -0.053 0.000 0.842 836 A N 0.000 122.798 122.820 -0.037 0.000 2.254 836 A HA 0.000 4.314 4.320 -0.011 0.000 0.244 836 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 836 A CB 0.000 18.989 19.000 -0.019 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486