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 2f3p_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.982 176.000 -0.031 0.000 1.003 12 Q CA 0.000 55.772 55.803 -0.052 0.000 1.022 12 Q CB 0.000 28.701 28.738 -0.062 0.000 1.108 13 I N 0.366 120.924 120.570 -0.021 0.000 2.707 13 I HA 0.552 4.717 4.170 -0.008 0.000 0.309 13 I C 1.186 177.302 176.117 -0.001 0.000 1.001 13 I CA 0.070 61.366 61.300 -0.007 0.000 1.129 13 I CB 1.874 39.874 38.000 0.001 0.000 1.308 13 I HN 0.329 nan 8.210 nan 0.000 0.466 14 S N 3.438 119.143 115.700 0.009 0.000 2.368 14 S HA -0.161 4.304 4.470 -0.008 0.000 0.225 14 S C 1.676 176.287 174.600 0.018 0.000 1.030 14 S CA 1.432 59.639 58.200 0.012 0.000 0.999 14 S CB -0.891 62.321 63.200 0.020 0.000 0.844 14 S HN 0.910 nan 8.310 nan 0.000 0.459 15 V N -0.649 119.283 119.914 0.031 0.000 3.383 15 V HA 0.261 4.376 4.120 -0.008 0.000 0.272 15 V C 1.680 177.790 176.094 0.026 0.000 1.181 15 V CA 0.921 63.243 62.300 0.037 0.000 1.171 15 V CB -1.261 30.592 31.823 0.050 0.000 0.800 15 V HN 0.419 nan 8.190 nan 0.000 0.515 16 R N 1.214 121.720 120.500 0.010 0.000 2.515 16 R HA 0.474 4.809 4.340 -0.008 0.000 0.294 16 R C 1.121 177.410 176.300 -0.017 0.000 1.021 16 R CA 0.449 56.548 56.100 -0.003 0.000 1.081 16 R CB 0.241 30.536 30.300 -0.008 0.000 1.263 16 R HN 0.738 nan 8.270 nan 0.000 0.557 17 G N 1.117 109.907 108.800 -0.018 0.000 2.796 17 G HA2 -0.281 3.674 3.960 -0.008 0.000 0.226 17 G HA3 -0.281 3.674 3.960 -0.008 0.000 0.226 17 G C -0.423 174.460 174.900 -0.028 0.000 1.381 17 G CA -0.893 44.188 45.100 -0.032 0.000 0.867 17 G HN 0.133 nan 8.290 nan 0.000 0.552 18 L N 0.063 121.266 121.223 -0.032 0.000 2.399 18 L HA 0.629 4.964 4.340 -0.008 0.000 0.266 18 L C 1.112 177.966 176.870 -0.027 0.000 1.114 18 L CA -0.200 54.625 54.840 -0.026 0.000 0.804 18 L CB 1.692 43.737 42.059 -0.023 0.000 1.146 18 L HN 1.153 nan 8.230 nan 0.000 0.451 19 A N 1.990 124.798 122.820 -0.020 0.000 3.158 19 A HA 0.540 4.855 4.320 -0.008 0.000 0.319 19 A C 0.465 178.044 177.584 -0.009 0.000 1.204 19 A CA -0.404 51.623 52.037 -0.017 0.000 0.992 19 A CB -0.328 18.663 19.000 -0.016 0.000 1.110 19 A HN 0.782 nan 8.150 nan 0.000 0.519 20 G N -0.280 108.515 108.800 -0.009 0.000 2.554 20 G HA2 0.332 4.287 3.960 -0.008 0.000 0.238 20 G HA3 0.332 4.287 3.960 -0.008 0.000 0.238 20 G C 1.030 175.933 174.900 0.005 0.000 1.259 20 G CA 0.072 45.171 45.100 -0.003 0.000 0.843 20 G HN 0.437 nan 8.290 nan 0.000 0.582 21 V N 1.394 121.312 119.914 0.007 0.000 2.255 21 V HA -0.195 3.920 4.120 -0.008 0.000 0.247 21 V C 2.625 178.729 176.094 0.016 0.000 1.051 21 V CA 2.422 64.729 62.300 0.011 0.000 1.018 21 V CB -0.755 31.074 31.823 0.010 0.000 0.641 21 V HN 0.841 nan 8.190 nan 0.000 0.445 22 E N 0.165 120.375 120.200 0.017 0.000 2.072 22 E HA -0.220 4.125 4.350 -0.008 0.000 0.191 22 E C 2.127 178.748 176.600 0.034 0.000 0.985 22 E CA 1.369 57.784 56.400 0.024 0.000 0.801 22 E CB -0.261 29.452 29.700 0.022 0.000 0.750 22 E HN 0.545 nan 8.360 nan 0.000 0.452 23 N N 0.335 119.053 118.700 0.029 0.000 2.120 23 N HA -0.129 4.606 4.740 -0.008 0.000 0.188 23 N C 1.746 177.280 175.510 0.040 0.000 1.024 23 N CA 0.740 53.812 53.050 0.037 0.000 0.852 23 N CB -0.005 38.488 38.487 0.011 0.000 1.003 23 N HN -0.066 nan 8.380 nan 0.000 0.424 24 V N -0.136 119.794 119.914 0.026 0.000 2.407 24 V HA -0.200 3.915 4.120 -0.008 0.000 0.248 24 V C 2.022 178.138 176.094 0.037 0.000 1.055 24 V CA 1.868 64.184 62.300 0.026 0.000 1.049 24 V CB -0.852 30.982 31.823 0.018 0.000 0.662 24 V HN 0.400 nan 8.190 nan 0.000 0.455 25 T N -0.565 114.011 114.554 0.036 0.000 2.777 25 T HA -0.203 4.142 4.350 -0.008 0.000 0.266 25 T C 1.920 176.655 174.700 0.058 0.000 1.040 25 T CA 1.728 63.851 62.100 0.038 0.000 1.141 25 T CB -0.164 68.722 68.868 0.031 0.000 0.868 25 T HN 0.485 nan 8.240 nan 0.000 0.444 26 E N 1.141 121.383 120.200 0.069 0.000 2.077 26 E HA -0.035 4.310 4.350 -0.008 0.000 0.193 26 E C 2.054 178.732 176.600 0.131 0.000 0.989 26 E CA 0.982 57.437 56.400 0.092 0.000 0.800 26 E CB -0.568 29.193 29.700 0.102 0.000 0.746 26 E HN 0.434 nan 8.360 nan 0.000 0.452 27 L N 0.312 121.620 121.223 0.141 0.000 2.012 27 L HA -0.228 4.107 4.340 -0.008 0.000 0.210 27 L C 2.560 179.542 176.870 0.186 0.000 1.073 27 L CA 1.664 56.612 54.840 0.181 0.000 0.748 27 L CB -0.458 41.676 42.059 0.126 0.000 0.891 27 L HN 0.117 nan 8.230 nan 0.000 0.431 28 K N 0.183 120.653 120.400 0.115 0.000 2.032 28 K HA -0.210 4.105 4.320 -0.008 0.000 0.209 28 K C 2.167 178.876 176.600 0.181 0.000 1.048 28 K CA 1.526 57.877 56.287 0.106 0.000 0.927 28 K CB -0.131 32.389 32.500 0.033 0.000 0.712 28 K HN 0.268 nan 8.250 nan 0.000 0.441 29 K N 0.615 121.095 120.400 0.133 0.000 2.032 29 K HA -0.118 4.197 4.320 -0.008 0.000 0.209 29 K C 1.877 178.565 176.600 0.147 0.000 1.048 29 K CA 1.323 57.683 56.287 0.121 0.000 0.927 29 K CB -0.142 32.406 32.500 0.079 0.000 0.712 29 K HN 0.159 nan 8.250 nan 0.000 0.441 30 N N 0.357 119.153 118.700 0.161 0.000 2.309 30 N HA -0.139 4.596 4.740 -0.008 0.000 0.182 30 N C 1.633 177.290 175.510 0.244 0.000 1.018 30 N CA 0.855 53.993 53.050 0.147 0.000 0.876 30 N CB -0.143 38.441 38.487 0.162 0.000 0.972 30 N HN 0.130 nan 8.380 nan 0.000 0.434 31 F N 2.421 122.468 119.950 0.162 0.000 2.113 31 F HA -0.051 4.471 4.527 -0.008 0.000 0.297 31 F C 2.014 177.919 175.800 0.176 0.000 1.103 31 F CA 1.182 59.297 58.000 0.191 0.000 1.248 31 F CB -0.167 38.918 39.000 0.142 0.000 0.999 31 F HN -0.052 nan 8.300 nan 0.000 0.475 32 N N 0.588 119.508 118.700 0.366 0.000 2.188 32 N HA -0.186 4.549 4.740 -0.008 0.000 0.184 32 N C 2.038 177.617 175.510 0.114 0.000 1.018 32 N CA 1.139 54.324 53.050 0.225 0.000 0.858 32 N CB -0.533 38.072 38.487 0.196 0.000 0.989 32 N HN 0.379 nan 8.380 nan 0.000 0.426 33 R N 0.338 120.908 120.500 0.116 0.000 2.073 33 R HA -0.111 4.224 4.340 -0.008 0.000 0.234 33 R C 1.811 178.179 176.300 0.113 0.000 1.134 33 R CA 1.522 57.714 56.100 0.153 0.000 0.952 33 R CB -0.231 30.095 30.300 0.044 0.000 0.850 33 R HN 0.376 nan 8.270 nan 0.000 0.433 34 H N -0.408 118.696 119.070 0.056 0.000 2.389 34 H HA -0.117 4.433 4.556 -0.008 0.000 0.299 34 H C 1.881 177.134 175.328 -0.124 0.000 1.081 34 H CA 1.403 57.419 56.048 -0.053 0.000 1.345 34 H CB 0.071 29.765 29.762 -0.113 0.000 1.393 34 H HN 0.132 nan 8.280 nan 0.000 0.520 35 L N 0.027 121.217 121.223 -0.055 0.000 2.079 35 L HA -0.201 4.134 4.340 -0.008 0.000 0.210 35 L C 2.171 179.007 176.870 -0.058 0.000 1.081 35 L CA 1.890 56.666 54.840 -0.107 0.000 0.752 35 L CB -0.471 41.526 42.059 -0.102 0.000 0.896 35 L HN 0.304 nan 8.230 nan 0.000 0.433 36 H N -1.665 117.314 119.070 -0.151 0.000 2.266 36 H HA -0.054 4.497 4.556 -0.008 0.000 0.308 36 H C 1.815 176.942 175.328 -0.335 0.000 1.057 36 H CA 2.266 58.135 56.048 -0.298 0.000 1.330 36 H CB -0.335 29.143 29.762 -0.473 0.000 1.400 36 H HN 0.279 nan 8.280 nan 0.000 0.503 37 F N -0.331 119.582 119.950 -0.062 0.000 2.234 37 F HA -0.037 4.485 4.527 -0.008 0.000 0.296 37 F C 2.620 178.337 175.800 -0.139 0.000 1.089 37 F CA 1.434 59.356 58.000 -0.129 0.000 1.343 37 F CB -0.477 38.490 39.000 -0.054 0.000 1.040 37 F HN 0.187 nan 8.300 nan 0.000 0.498 38 T N -0.071 114.513 114.554 0.050 0.000 2.901 38 T HA 0.065 4.410 4.350 -0.008 0.000 0.252 38 T C 1.934 176.538 174.700 -0.159 0.000 1.035 38 T CA 0.899 62.958 62.100 -0.069 0.000 1.142 38 T CB -0.258 68.544 68.868 -0.110 0.000 0.869 38 T HN 0.112 nan 8.240 nan 0.000 0.442 39 L N 0.963 122.091 121.223 -0.159 0.000 2.529 39 L HA 0.240 4.575 4.340 -0.008 0.000 0.223 39 L C 0.308 177.078 176.870 -0.167 0.000 1.113 39 L CA -0.129 54.606 54.840 -0.176 0.000 0.861 39 L CB 0.003 41.964 42.059 -0.164 0.000 1.012 39 L HN -0.052 nan 8.230 nan 0.000 0.461 40 V N 0.809 120.608 119.914 -0.191 0.000 6.125 40 V HA -0.270 3.845 4.120 -0.008 0.000 0.281 40 V C -0.133 175.850 176.094 -0.185 0.000 0.591 40 V CA 1.086 63.248 62.300 -0.231 0.000 0.617 40 V CB -2.200 29.514 31.823 -0.182 0.000 0.336 40 V HN 0.465 nan 8.190 nan 0.000 0.650 41 K N 1.082 121.382 120.400 -0.168 0.000 2.522 41 K HA 0.743 5.058 4.320 -0.008 0.000 0.275 41 K C -0.882 175.687 176.600 -0.052 0.000 1.006 41 K CA -0.538 55.683 56.287 -0.111 0.000 0.890 41 K CB 2.930 35.356 32.500 -0.123 0.000 1.475 41 K HN 0.501 nan 8.250 nan 0.000 0.441 42 D N -0.389 120.000 120.400 -0.017 0.000 2.523 42 D HA 0.292 4.927 4.640 -0.008 0.000 0.236 42 D C 0.563 176.894 176.300 0.052 0.000 1.094 42 D CA -0.657 53.367 54.000 0.039 0.000 0.942 42 D CB 1.048 41.873 40.800 0.042 0.000 1.447 42 D HN 0.151 nan 8.370 nan 0.000 0.479 43 R N 0.415 120.980 120.500 0.109 0.000 2.276 43 R HA -0.095 4.240 4.340 -0.008 0.000 0.243 43 R C 0.847 177.220 176.300 0.120 0.000 1.161 43 R CA 0.690 56.891 56.100 0.168 0.000 1.007 43 R CB -0.774 29.626 30.300 0.167 0.000 0.867 43 R HN 0.522 nan 8.270 nan 0.000 0.472 44 N N 0.056 118.795 118.700 0.065 0.000 2.415 44 N HA -0.052 4.683 4.740 -0.008 0.000 0.176 44 N C 1.422 176.949 175.510 0.028 0.000 1.042 44 N CA 1.151 54.229 53.050 0.046 0.000 0.902 44 N CB 0.538 39.043 38.487 0.029 0.000 0.986 44 N HN 0.218 nan 8.380 nan 0.000 0.447 45 V N -3.015 116.901 119.914 0.004 0.000 3.432 45 V HA 0.529 4.644 4.120 -0.008 0.000 0.298 45 V C 0.705 176.761 176.094 -0.063 0.000 1.464 45 V CA -0.624 61.664 62.300 -0.020 0.000 1.046 45 V CB -0.164 31.642 31.823 -0.027 0.000 0.887 45 V HN 0.011 nan 8.190 nan 0.000 0.441 46 A N 2.065 124.823 122.820 -0.104 0.000 2.440 46 A HA 0.624 4.939 4.320 -0.008 0.000 0.251 46 A C 0.704 178.110 177.584 -0.297 0.000 1.089 46 A CA 0.768 52.628 52.037 -0.295 0.000 0.779 46 A CB 0.047 18.721 19.000 -0.544 0.000 1.022 46 A HN 0.815 nan 8.150 nan 0.000 0.492 47 T N -0.132 114.249 114.554 -0.288 0.000 2.948 47 T HA 0.585 4.930 4.350 -0.008 0.000 0.285 47 T C -2.191 172.453 174.700 -0.093 0.000 1.019 47 T CA -1.799 60.232 62.100 -0.115 0.000 1.013 47 T CB 1.319 70.164 68.868 -0.039 0.000 1.117 47 T HN 0.231 nan 8.240 nan 0.000 0.533 48 P HA -0.087 nan 4.420 nan 0.000 0.217 48 P C 1.586 179.022 177.300 0.225 0.000 1.148 48 P CA 0.942 64.201 63.100 0.266 0.000 0.828 48 P CB 0.060 31.870 31.700 0.183 0.000 0.783 49 R N -0.089 120.489 120.500 0.131 0.000 2.092 49 R HA -0.131 4.204 4.340 -0.008 0.000 0.231 49 R C 1.632 178.130 176.300 0.330 0.000 1.119 49 R CA 1.681 57.907 56.100 0.210 0.000 0.970 49 R CB -0.652 29.702 30.300 0.090 0.000 0.864 49 R HN 0.079 nan 8.270 nan 0.000 0.440 50 D N -0.300 120.158 120.400 0.096 0.000 2.117 50 D HA -0.181 4.454 4.640 -0.008 0.000 0.197 50 D C 1.668 177.995 176.300 0.044 0.000 0.987 50 D CA 1.285 55.286 54.000 0.001 0.000 0.829 50 D CB -0.275 40.374 40.800 -0.251 0.000 0.961 50 D HN 0.301 nan 8.370 nan 0.000 0.460 51 Y N -0.032 120.383 120.300 0.192 0.000 2.242 51 Y HA -0.191 4.354 4.550 -0.008 0.000 0.291 51 Y C 2.291 178.340 175.900 0.248 0.000 1.137 51 Y CA 0.317 58.572 58.100 0.257 0.000 1.181 51 Y CB -1.042 37.626 38.460 0.347 0.000 0.989 51 Y HN 0.085 nan 8.280 nan 0.000 0.527 52 Y N -0.493 119.970 120.300 0.272 0.000 2.145 52 Y HA -0.270 4.275 4.550 -0.009 0.000 0.286 52 Y C 1.923 177.813 175.900 -0.017 0.000 1.145 52 Y CA 1.248 59.405 58.100 0.096 0.000 1.148 52 Y CB -1.134 37.290 38.460 -0.060 0.000 0.981 52 Y HN 0.040 nan 8.280 nan 0.000 0.507 53 F N 0.293 120.024 119.950 -0.365 0.000 2.171 53 F HA -0.119 4.403 4.527 -0.008 0.000 0.300 53 F C 2.645 178.298 175.800 -0.246 0.000 1.090 53 F CA 1.350 59.090 58.000 -0.433 0.000 1.293 53 F CB -0.897 38.023 39.000 -0.132 0.000 1.013 53 F HN 0.201 nan 8.300 nan 0.000 0.486 54 A N -0.187 122.593 122.820 -0.066 0.000 1.902 54 A HA -0.181 4.134 4.320 -0.008 0.000 0.217 54 A C 2.077 179.561 177.584 -0.167 0.000 1.181 54 A CA 1.608 53.480 52.037 -0.275 0.000 0.623 54 A CB -1.008 17.491 19.000 -0.835 0.000 0.818 54 A HN 0.341 nan 8.150 nan 0.000 0.443 55 L N -0.352 120.892 121.223 0.035 0.000 2.056 55 L HA 0.022 4.357 4.340 -0.008 0.000 0.207 55 L C 2.672 179.537 176.870 -0.010 0.000 1.078 55 L CA 2.069 57.043 54.840 0.225 0.000 0.749 55 L CB -0.876 41.376 42.059 0.322 0.000 0.901 55 L HN 0.337 nan 8.230 nan 0.000 0.433 56 A N -1.219 121.410 122.820 -0.319 0.000 1.908 56 A HA -0.281 4.034 4.320 -0.008 0.000 0.218 56 A C 2.132 179.364 177.584 -0.587 0.000 1.181 56 A CA 2.022 53.749 52.037 -0.518 0.000 0.627 56 A CB -1.067 17.282 19.000 -1.085 0.000 0.818 56 A HN 0.664 nan 8.150 nan 0.000 0.445 57 H N -0.820 117.936 119.070 -0.523 0.000 2.389 57 H HA -0.046 4.505 4.556 -0.008 0.000 0.299 57 H C 2.326 177.400 175.328 -0.424 0.000 1.081 57 H CA 1.930 57.597 56.048 -0.635 0.000 1.345 57 H CB -0.171 28.928 29.762 -1.105 0.000 1.393 57 H HN 0.462 nan 8.280 nan 0.000 0.520 58 T N -0.348 114.171 114.554 -0.058 0.000 2.737 58 T HA -0.127 4.218 4.350 -0.008 0.000 0.265 58 T C 2.263 177.129 174.700 0.276 0.000 1.038 58 T CA 1.343 63.585 62.100 0.236 0.000 1.144 58 T CB -0.388 68.685 68.868 0.342 0.000 0.866 58 T HN 0.094 nan 8.240 nan 0.000 0.434 59 V N 1.618 121.668 119.914 0.227 0.000 2.358 59 V HA -0.134 3.981 4.120 -0.008 0.000 0.246 59 V C 2.614 178.884 176.094 0.293 0.000 1.047 59 V CA 1.650 64.126 62.300 0.293 0.000 1.035 59 V CB -0.648 31.342 31.823 0.278 0.000 0.658 59 V HN 0.380 nan 8.190 nan 0.000 0.452 60 R N 0.306 120.916 120.500 0.183 0.000 2.091 60 R HA -0.232 4.103 4.340 -0.008 0.000 0.238 60 R C 1.973 178.360 176.300 0.146 0.000 1.136 60 R CA 2.222 58.418 56.100 0.160 0.000 0.959 60 R CB -0.461 29.757 30.300 -0.138 0.000 0.856 60 R HN 0.468 nan 8.270 nan 0.000 0.437 61 D N -0.100 120.369 120.400 0.115 0.000 2.158 61 D HA -0.181 4.454 4.640 -0.008 0.000 0.197 61 D C 1.729 178.026 176.300 -0.005 0.000 0.995 61 D CA 1.181 55.218 54.000 0.061 0.000 0.846 61 D CB -0.412 40.409 40.800 0.036 0.000 0.941 61 D HN 0.463 nan 8.370 nan 0.000 0.456 62 H N -0.335 118.798 119.070 0.105 0.000 2.521 62 H HA 0.042 4.593 4.556 -0.008 0.000 0.286 62 H C 2.202 177.570 175.328 0.067 0.000 1.034 62 H CA 0.388 56.482 56.048 0.077 0.000 1.278 62 H CB 0.302 30.101 29.762 0.062 0.000 1.386 62 H HN 0.213 nan 8.280 nan 0.000 0.567 63 L N 0.380 121.708 121.223 0.176 0.000 2.127 63 L HA -0.103 4.232 4.340 -0.008 0.000 0.203 63 L C 2.761 179.737 176.870 0.177 0.000 1.080 63 L CA 0.478 55.390 54.840 0.121 0.000 0.768 63 L CB -0.188 41.912 42.059 0.069 0.000 0.924 63 L HN 0.095 nan 8.230 nan 0.000 0.444 64 V N -1.917 118.128 119.914 0.218 0.000 2.282 64 V HA -0.219 3.896 4.120 -0.008 0.000 0.249 64 V C 2.319 178.528 176.094 0.192 0.000 1.057 64 V CA 2.181 64.645 62.300 0.273 0.000 1.032 64 V CB -1.932 30.006 31.823 0.191 0.000 0.645 64 V HN 0.411 nan 8.190 nan 0.000 0.447 65 G N 0.300 109.167 108.800 0.112 0.000 2.446 65 G HA2 -0.247 3.708 3.960 -0.008 0.000 0.217 65 G HA3 -0.247 3.708 3.960 -0.008 0.000 0.217 65 G C 1.760 176.708 174.900 0.079 0.000 1.168 65 G CA 1.048 46.191 45.100 0.070 0.000 0.771 65 G HN 0.564 nan 8.290 nan 0.000 0.551 66 R N -1.460 119.095 120.500 0.091 0.000 2.092 66 R HA -0.069 4.266 4.340 -0.008 0.000 0.231 66 R C 2.271 178.650 176.300 0.131 0.000 1.119 66 R CA 1.083 57.223 56.100 0.067 0.000 0.970 66 R CB -0.347 29.974 30.300 0.036 0.000 0.864 66 R HN 0.481 nan 8.270 nan 0.000 0.440 67 W N 1.734 123.010 121.300 -0.039 0.000 2.355 67 W HA -0.066 4.589 4.660 -0.008 0.000 0.309 67 W C 1.721 178.207 176.519 -0.054 0.000 1.206 67 W CA 0.874 58.192 57.345 -0.046 0.000 1.284 67 W CB -0.581 28.870 29.460 -0.016 0.000 1.145 67 W HN -0.052 nan 8.180 nan 0.000 0.502 68 I N 1.072 121.699 120.570 0.095 0.000 2.179 68 I HA -0.346 3.819 4.170 -0.008 0.000 0.242 68 I C 2.621 178.720 176.117 -0.031 0.000 1.088 68 I CA 1.969 63.238 61.300 -0.052 0.000 1.357 68 I CB -0.600 37.374 38.000 -0.044 0.000 1.051 68 I HN -0.010 nan 8.210 nan 0.000 0.409 69 R N 0.174 120.671 120.500 -0.004 0.000 2.148 69 R HA -0.036 4.299 4.340 -0.008 0.000 0.223 69 R C 1.984 178.249 176.300 -0.059 0.000 1.088 69 R CA 1.435 57.523 56.100 -0.020 0.000 0.985 69 R CB -1.187 29.100 30.300 -0.021 0.000 0.880 69 R HN 0.196 nan 8.270 nan 0.000 0.451 70 T N 1.685 116.184 114.554 -0.093 0.000 2.674 70 T HA -0.111 4.234 4.350 -0.008 0.000 0.265 70 T C 1.838 176.285 174.700 -0.421 0.000 1.039 70 T CA 1.368 63.307 62.100 -0.268 0.000 1.150 70 T CB -0.113 68.635 68.868 -0.201 0.000 0.864 70 T HN 0.225 nan 8.240 nan 0.000 0.427 71 Q N 0.806 120.493 119.800 -0.188 0.000 2.124 71 Q HA -0.089 4.246 4.340 -0.008 0.000 0.202 71 Q C 2.350 178.359 176.000 0.015 0.000 0.977 71 Q CA 1.311 57.069 55.803 -0.074 0.000 0.850 71 Q CB -0.564 28.155 28.738 -0.033 0.000 0.901 71 Q HN 0.468 nan 8.270 nan 0.000 0.429 72 Q N 0.067 119.872 119.800 0.008 0.000 2.124 72 Q HA -0.176 4.159 4.340 -0.008 0.000 0.202 72 Q C 1.873 177.963 176.000 0.149 0.000 0.977 72 Q CA 1.810 57.666 55.803 0.088 0.000 0.850 72 Q CB -0.357 28.414 28.738 0.055 0.000 0.901 72 Q HN 0.544 nan 8.270 nan 0.000 0.429 73 H N -0.950 118.094 119.070 -0.045 0.000 2.319 73 H HA -0.170 4.381 4.556 -0.008 0.000 0.299 73 H C 1.133 176.519 175.328 0.097 0.000 1.092 73 H CA 2.260 58.289 56.048 -0.032 0.000 1.302 73 H CB -0.327 29.344 29.762 -0.153 0.000 1.373 73 H HN 0.344 nan 8.280 nan 0.000 0.497 74 Y N -1.027 119.315 120.300 0.070 0.000 2.274 74 Y HA -0.190 4.355 4.550 -0.009 0.000 0.290 74 Y C 2.414 178.343 175.900 0.048 0.000 1.145 74 Y CA 1.016 59.125 58.100 0.015 0.000 1.203 74 Y CB -1.288 37.240 38.460 0.113 0.000 0.984 74 Y HN 0.361 nan 8.280 nan 0.000 0.533 75 Y N 1.299 121.679 120.300 0.133 0.000 2.163 75 Y HA -0.171 4.374 4.550 -0.008 0.000 0.288 75 Y C 2.113 178.024 175.900 0.018 0.000 1.136 75 Y CA 1.662 59.805 58.100 0.072 0.000 1.147 75 Y CB -0.158 38.336 38.460 0.055 0.000 0.987 75 Y HN 0.049 nan 8.280 nan 0.000 0.509 76 E N 0.496 120.665 120.200 -0.051 0.000 2.028 76 E HA -0.183 4.162 4.350 -0.008 0.000 0.191 76 E C 2.037 178.530 176.600 -0.178 0.000 0.988 76 E CA 1.513 57.822 56.400 -0.152 0.000 0.799 76 E CB -0.316 29.363 29.700 -0.035 0.000 0.755 76 E HN 0.513 nan 8.360 nan 0.000 0.447 77 K N 0.597 120.885 120.400 -0.187 0.000 2.296 77 K HA -0.078 4.237 4.320 -0.008 0.000 0.200 77 K C 0.053 176.586 176.600 -0.111 0.000 1.048 77 K CA 0.517 56.703 56.287 -0.168 0.000 0.966 77 K CB -0.003 32.340 32.500 -0.260 0.000 0.754 77 K HN 0.012 nan 8.250 nan 0.000 0.466 78 D N 0.910 121.257 120.400 -0.088 0.000 2.735 78 D HA -0.106 4.529 4.640 -0.008 0.000 0.235 78 D C -2.401 173.874 176.300 -0.043 0.000 1.175 78 D CA 0.043 54.008 54.000 -0.057 0.000 0.683 78 D CB -0.037 40.702 40.800 -0.103 0.000 1.008 78 D HN 0.168 nan 8.370 nan 0.000 0.416 79 P HA 0.109 nan 4.420 nan 0.000 0.277 79 P C -0.221 177.038 177.300 -0.069 0.000 1.271 79 P CA -0.664 62.400 63.100 -0.059 0.000 0.795 79 P CB 0.659 32.311 31.700 -0.081 0.000 1.101 80 K N 1.018 121.379 120.400 -0.065 0.000 2.412 80 K HA 0.077 4.392 4.320 -0.008 0.000 0.281 80 K C -0.038 176.476 176.600 -0.143 0.000 1.027 80 K CA -0.083 56.160 56.287 -0.072 0.000 0.989 80 K CB 0.226 32.700 32.500 -0.044 0.000 0.935 80 K HN 0.236 nan 8.250 nan 0.000 0.475 81 R N 3.528 123.931 120.500 -0.163 0.000 2.349 81 R HA 0.342 4.677 4.340 -0.008 0.000 0.299 81 R C -0.522 175.503 176.300 -0.458 0.000 1.027 81 R CA -0.415 55.505 56.100 -0.301 0.000 0.958 81 R CB 0.790 30.912 30.300 -0.295 0.000 1.047 81 R HN 0.506 nan 8.270 nan 0.000 0.468 82 I N 4.539 124.777 120.570 -0.553 0.000 2.339 82 I HA 0.216 4.381 4.170 -0.008 0.000 0.290 82 I C -0.726 175.070 176.117 -0.534 0.000 0.994 82 I CA -0.759 60.169 61.300 -0.619 0.000 1.191 82 I CB 0.948 38.476 38.000 -0.787 0.000 1.343 82 I HN 0.531 nan 8.210 nan 0.000 0.458 83 Y N 5.975 126.238 120.300 -0.062 0.000 2.356 83 Y HA 0.286 4.832 4.550 -0.008 0.000 0.334 83 Y C -0.288 175.717 175.900 0.175 0.000 0.958 83 Y CA -0.734 57.457 58.100 0.152 0.000 1.196 83 Y CB 1.136 39.651 38.460 0.092 0.000 1.137 83 Y HN 0.390 nan 8.280 nan 0.000 0.485 84 Y N 4.588 125.068 120.300 0.299 0.000 2.518 84 Y HA 0.472 5.017 4.550 -0.008 0.000 0.344 84 Y C -1.226 174.941 175.900 0.446 0.000 0.982 84 Y CA -0.994 57.291 58.100 0.309 0.000 1.234 84 Y CB 0.277 38.920 38.460 0.305 0.000 1.114 84 Y HN 0.494 nan 8.280 nan 0.000 0.515 85 L N 4.956 126.251 121.223 0.118 0.000 2.265 85 L HA 0.484 4.819 4.340 -0.008 0.000 0.288 85 L C -0.126 176.778 176.870 0.056 0.000 1.058 85 L CA 0.117 55.077 54.840 0.201 0.000 0.809 85 L CB 1.255 43.393 42.059 0.132 0.000 1.179 85 L HN 0.573 nan 8.230 nan 0.000 0.429 86 S N 2.735 118.556 115.700 0.200 0.000 2.537 86 S HA 0.479 4.944 4.470 -0.008 0.000 0.270 86 S C 0.192 174.900 174.600 0.179 0.000 1.142 86 S CA -0.627 57.590 58.200 0.028 0.000 0.870 86 S CB 1.014 64.008 63.200 -0.344 0.000 1.112 86 S HN 0.491 nan 8.310 nan 0.000 0.466 87 L N 2.444 123.803 121.223 0.227 0.000 2.591 87 L HA 0.400 4.735 4.340 -0.008 0.000 0.228 87 L C 0.107 177.189 176.870 0.353 0.000 1.133 87 L CA 1.032 56.074 54.840 0.336 0.000 0.880 87 L CB -0.755 41.518 42.059 0.357 0.000 1.033 87 L HN 0.708 nan 8.230 nan 0.000 0.450 88 E N -0.793 119.481 120.200 0.124 0.000 2.275 88 E HA 0.378 4.723 4.350 -0.008 0.000 0.270 88 E C -1.523 174.942 176.600 -0.226 0.000 0.882 88 E CA -0.385 56.064 56.400 0.081 0.000 0.758 88 E CB 2.118 31.843 29.700 0.043 0.000 1.195 88 E HN -0.148 nan 8.360 nan 0.000 0.419 89 F N 2.209 122.268 119.950 0.181 0.000 2.771 89 F HA 0.174 4.696 4.527 -0.009 0.000 0.365 89 F C -0.823 175.064 175.800 0.146 0.000 1.169 89 F CA -0.732 57.361 58.000 0.155 0.000 1.093 89 F CB 0.937 40.016 39.000 0.132 0.000 1.363 89 F HN 0.497 nan 8.300 nan 0.000 0.496 90 Y N 5.213 125.575 120.300 0.103 0.000 2.636 90 Y HA 0.196 4.742 4.550 -0.008 0.000 0.334 90 Y C 1.092 177.006 175.900 0.025 0.000 1.286 90 Y CA -1.001 57.116 58.100 0.028 0.000 1.688 90 Y CB 0.232 38.692 38.460 -0.001 0.000 1.662 90 Y HN 0.532 nan 8.280 nan 0.000 0.465 91 M N 1.014 120.734 119.600 0.201 0.000 2.254 91 M HA 0.088 4.563 4.480 -0.008 0.000 0.265 91 M C 1.582 177.851 176.300 -0.053 0.000 1.066 91 M CA 1.151 56.479 55.300 0.047 0.000 1.123 91 M CB -1.269 31.338 32.600 0.013 0.000 1.388 91 M HN 0.645 nan 8.290 nan 0.000 0.425 92 G N 1.029 109.809 108.800 -0.034 0.000 2.553 92 G HA2 -0.259 3.696 3.960 -0.008 0.000 0.242 92 G HA3 -0.259 3.696 3.960 -0.008 0.000 0.242 92 G C -0.312 174.538 174.900 -0.084 0.000 1.277 92 G CA -0.342 44.702 45.100 -0.093 0.000 0.910 92 G HN 0.434 nan 8.290 nan 0.000 0.576 93 R N -0.714 119.718 120.500 -0.113 0.000 2.531 93 R HA 0.578 4.913 4.340 -0.008 0.000 0.273 93 R C 1.077 177.254 176.300 -0.206 0.000 1.070 93 R CA 0.303 56.345 56.100 -0.097 0.000 1.112 93 R CB 0.718 30.970 30.300 -0.080 0.000 1.049 93 R HN 0.528 nan 8.270 nan 0.000 0.508 94 T N 1.125 115.499 114.554 -0.300 0.000 2.969 94 T HA -0.008 4.337 4.350 -0.008 0.000 0.250 94 T C 1.448 175.743 174.700 -0.674 0.000 1.021 94 T CA -0.156 61.550 62.100 -0.656 0.000 1.003 94 T CB 0.131 68.213 68.868 -1.310 0.000 1.040 94 T HN 0.308 nan 8.240 nan 0.000 0.492 95 L N 2.003 123.061 121.223 -0.276 0.000 1.955 95 L HA -0.074 4.261 4.340 -0.008 0.000 0.213 95 L C 2.464 179.294 176.870 -0.066 0.000 1.072 95 L CA 2.030 56.870 54.840 0.001 0.000 0.755 95 L CB -0.715 41.554 42.059 0.351 0.000 0.888 95 L HN 0.183 nan 8.230 nan 0.000 0.432 96 Q N -0.820 118.943 119.800 -0.062 0.000 2.124 96 Q HA -0.252 4.083 4.340 -0.008 0.000 0.202 96 Q C 2.221 178.146 176.000 -0.125 0.000 0.977 96 Q CA 1.807 57.567 55.803 -0.072 0.000 0.850 96 Q CB -0.305 28.390 28.738 -0.073 0.000 0.901 96 Q HN 0.701 nan 8.270 nan 0.000 0.429 97 N N -0.967 117.618 118.700 -0.192 0.000 2.149 97 N HA -0.142 4.593 4.740 -0.008 0.000 0.188 97 N C 1.288 176.685 175.510 -0.187 0.000 1.019 97 N CA 1.712 54.639 53.050 -0.205 0.000 0.857 97 N CB 0.098 38.428 38.487 -0.261 0.000 0.997 97 N HN 0.210 nan 8.380 nan 0.000 0.426 98 T N 1.116 115.525 114.554 -0.240 0.000 2.812 98 T HA -0.013 4.332 4.350 -0.008 0.000 0.264 98 T C 2.048 176.683 174.700 -0.108 0.000 1.042 98 T CA 0.906 62.883 62.100 -0.206 0.000 1.140 98 T CB -0.018 68.681 68.868 -0.281 0.000 0.870 98 T HN 0.261 nan 8.240 nan 0.000 0.445 99 M N 0.593 120.147 119.600 -0.077 0.000 2.132 99 M HA -0.069 4.406 4.480 -0.008 0.000 0.263 99 M C 2.458 178.723 176.300 -0.059 0.000 1.065 99 M CA 1.179 56.448 55.300 -0.051 0.000 1.122 99 M CB -0.615 31.971 32.600 -0.023 0.000 1.365 99 M HN 0.096 nan 8.290 nan 0.000 0.411 100 V N 1.006 120.890 119.914 -0.050 0.000 2.295 100 V HA -0.271 3.844 4.120 -0.008 0.000 0.246 100 V C 1.766 177.863 176.094 0.005 0.000 1.049 100 V CA 1.974 64.270 62.300 -0.007 0.000 1.024 100 V CB -0.882 30.942 31.823 0.001 0.000 0.648 100 V HN 0.468 nan 8.190 nan 0.000 0.447 101 N N -0.366 118.323 118.700 -0.018 0.000 2.453 101 N HA -0.048 4.687 4.740 -0.008 0.000 0.183 101 N C 1.043 176.447 175.510 -0.176 0.000 1.041 101 N CA 0.734 53.750 53.050 -0.056 0.000 0.900 101 N CB -0.101 38.365 38.487 -0.035 0.000 0.961 101 N HN 0.293 nan 8.380 nan 0.000 0.443 102 L N -0.321 120.819 121.223 -0.138 0.000 2.693 102 L HA 0.414 4.749 4.340 -0.008 0.000 0.235 102 L C 0.501 177.281 176.870 -0.150 0.000 1.127 102 L CA -0.241 54.517 54.840 -0.137 0.000 0.914 102 L CB -0.629 41.375 42.059 -0.091 0.000 1.193 102 L HN 0.081 nan 8.230 nan 0.000 0.502 103 A N -0.427 122.301 122.820 -0.154 0.000 2.791 103 A HA -0.219 4.096 4.320 -0.008 0.000 0.292 103 A C 0.987 178.508 177.584 -0.105 0.000 1.487 103 A CA 0.965 52.924 52.037 -0.129 0.000 0.760 103 A CB -1.903 17.006 19.000 -0.151 0.000 1.031 103 A HN 0.225 nan 8.150 nan 0.000 0.503 104 L N -0.957 120.206 121.223 -0.100 0.000 2.766 104 L HA 0.267 4.602 4.340 -0.008 0.000 0.242 104 L C 1.767 178.600 176.870 -0.062 0.000 1.136 104 L CA 1.371 56.148 54.840 -0.104 0.000 0.933 104 L CB -0.137 41.833 42.059 -0.149 0.000 1.241 104 L HN 0.612 nan 8.230 nan 0.000 0.522 105 E N -0.090 120.083 120.200 -0.045 0.000 2.038 105 E HA -0.236 4.109 4.350 -0.008 0.000 0.195 105 E C 1.539 178.126 176.600 -0.023 0.000 1.000 105 E CA 1.483 57.868 56.400 -0.026 0.000 0.803 105 E CB 0.260 29.947 29.700 -0.021 0.000 0.750 105 E HN 0.417 nan 8.360 nan 0.000 0.448 106 N N 0.034 118.717 118.700 -0.028 0.000 2.188 106 N HA -0.122 4.613 4.740 -0.008 0.000 0.184 106 N C 1.580 177.075 175.510 -0.024 0.000 1.018 106 N CA 1.191 54.224 53.050 -0.027 0.000 0.858 106 N CB -0.369 38.101 38.487 -0.028 0.000 0.989 106 N HN 0.213 nan 8.380 nan 0.000 0.426 107 A N 0.503 123.305 122.820 -0.029 0.000 1.877 107 A HA -0.153 4.162 4.320 -0.008 0.000 0.216 107 A C 2.656 180.233 177.584 -0.012 0.000 1.186 107 A CA 1.381 53.403 52.037 -0.024 0.000 0.620 107 A CB -1.032 17.943 19.000 -0.041 0.000 0.822 107 A HN 0.440 nan 8.150 nan 0.000 0.443 108 C N -0.817 118.475 119.300 -0.012 0.000 2.435 108 C HA -0.058 4.397 4.460 -0.008 0.000 0.279 108 C C 2.454 177.446 174.990 0.004 0.000 1.321 108 C CA 1.091 60.113 59.018 0.007 0.000 1.752 108 C CB -1.098 26.658 27.740 0.027 0.000 1.959 108 C HN 0.699 nan 8.230 nan 0.000 0.500 109 D N 0.743 121.144 120.400 0.002 0.000 2.097 109 D HA -0.133 4.502 4.640 -0.008 0.000 0.197 109 D C 2.130 178.445 176.300 0.024 0.000 0.984 109 D CA 1.474 55.477 54.000 0.006 0.000 0.826 109 D CB -0.230 40.563 40.800 -0.013 0.000 0.973 109 D HN 0.470 nan 8.370 nan 0.000 0.460 110 E N 0.345 120.554 120.200 0.016 0.000 2.028 110 E HA -0.060 4.285 4.350 -0.008 0.000 0.191 110 E C 1.918 178.562 176.600 0.073 0.000 0.988 110 E CA 1.686 58.118 56.400 0.054 0.000 0.799 110 E CB -0.628 29.087 29.700 0.024 0.000 0.755 110 E HN 0.197 nan 8.360 nan 0.000 0.447 111 A N -0.066 122.761 122.820 0.012 0.000 1.892 111 A HA -0.246 4.069 4.320 -0.008 0.000 0.218 111 A C 2.512 180.023 177.584 -0.122 0.000 1.188 111 A CA 3.078 55.093 52.037 -0.037 0.000 0.631 111 A CB -1.566 17.415 19.000 -0.031 0.000 0.822 111 A HN 0.538 nan 8.150 nan 0.000 0.447 112 T N -3.835 110.639 114.554 -0.132 0.000 2.867 112 T HA -0.191 4.154 4.350 -0.008 0.000 0.268 112 T C 1.814 176.432 174.700 -0.137 0.000 1.057 112 T CA 1.476 63.436 62.100 -0.233 0.000 1.136 112 T CB -0.537 68.234 68.868 -0.163 0.000 0.874 112 T HN 0.471 nan 8.240 nan 0.000 0.466 113 Y N 2.249 122.468 120.300 -0.134 0.000 2.114 113 Y HA -0.094 4.452 4.550 -0.007 0.000 0.284 113 Y C 2.627 178.465 175.900 -0.104 0.000 1.143 113 Y CA 1.557 59.597 58.100 -0.100 0.000 1.135 113 Y CB -0.651 37.769 38.460 -0.066 0.000 0.980 113 Y HN 0.228 nan 8.280 nan 0.000 0.499 114 Q N -0.859 118.837 119.800 -0.173 0.000 2.291 114 Q HA -0.144 4.191 4.340 -0.008 0.000 0.206 114 Q C 1.495 177.347 176.000 -0.247 0.000 0.976 114 Q CA 1.034 56.696 55.803 -0.235 0.000 0.875 114 Q CB -0.123 28.569 28.738 -0.076 0.000 0.927 114 Q HN 0.351 nan 8.270 nan 0.000 0.450 115 L N -0.880 120.189 121.223 -0.257 0.000 2.591 115 L HA 0.148 4.483 4.340 -0.008 0.000 0.228 115 L C 1.059 177.763 176.870 -0.277 0.000 1.133 115 L CA 1.113 55.793 54.840 -0.266 0.000 0.880 115 L CB -0.299 41.521 42.059 -0.397 0.000 1.033 115 L HN 0.295 nan 8.230 nan 0.000 0.450 116 G N -0.111 108.506 108.800 -0.305 0.000 2.198 116 G HA2 -0.255 3.700 3.960 -0.008 0.000 0.257 116 G HA3 -0.255 3.700 3.960 -0.008 0.000 0.257 116 G C 0.066 174.830 174.900 -0.227 0.000 1.042 116 G CA 0.348 45.285 45.100 -0.271 0.000 0.791 116 G HN 0.289 nan 8.290 nan 0.000 0.502 117 L N -0.384 120.703 121.223 -0.227 0.000 2.354 117 L HA 0.592 4.927 4.340 -0.008 0.000 0.269 117 L C -0.636 176.198 176.870 -0.059 0.000 1.005 117 L CA -1.184 53.549 54.840 -0.179 0.000 0.819 117 L CB 1.952 43.837 42.059 -0.291 0.000 1.311 117 L HN 0.089 nan 8.230 nan 0.000 0.423 118 D N 2.144 122.538 120.400 -0.010 0.000 2.396 118 D HA 0.179 4.814 4.640 -0.008 0.000 0.225 118 D C 0.648 176.975 176.300 0.044 0.000 1.121 118 D CA -0.260 53.763 54.000 0.037 0.000 0.853 118 D CB 1.495 42.322 40.800 0.045 0.000 1.043 118 D HN 0.511 nan 8.370 nan 0.000 0.500 119 M N 3.162 122.789 119.600 0.045 0.000 2.149 119 M HA -0.161 4.314 4.480 -0.008 0.000 0.261 119 M C 1.368 177.710 176.300 0.071 0.000 1.064 119 M CA 1.585 56.922 55.300 0.062 0.000 1.102 119 M CB 0.174 32.804 32.600 0.050 0.000 1.369 119 M HN 0.423 nan 8.290 nan 0.000 0.408 120 E N -0.190 120.042 120.200 0.054 0.000 2.118 120 E HA -0.274 4.071 4.350 -0.008 0.000 0.195 120 E C 1.860 178.494 176.600 0.058 0.000 0.992 120 E CA 1.570 58.000 56.400 0.051 0.000 0.804 120 E CB -0.167 29.559 29.700 0.045 0.000 0.741 120 E HN 0.648 nan 8.360 nan 0.000 0.458 121 E N 0.322 120.559 120.200 0.062 0.000 2.106 121 E HA -0.196 4.149 4.350 -0.008 0.000 0.192 121 E C 1.885 178.529 176.600 0.074 0.000 0.984 121 E CA 0.590 57.028 56.400 0.063 0.000 0.806 121 E CB 0.171 29.909 29.700 0.063 0.000 0.750 121 E HN 0.077 nan 8.360 nan 0.000 0.458 122 L N 1.379 122.667 121.223 0.109 0.000 2.093 122 L HA -0.115 4.220 4.340 -0.008 0.000 0.208 122 L C 2.033 178.971 176.870 0.114 0.000 1.085 122 L CA 1.603 56.544 54.840 0.167 0.000 0.755 122 L CB -0.543 41.667 42.059 0.252 0.000 0.904 122 L HN 0.137 nan 8.230 nan 0.000 0.435 123 E N -0.629 119.626 120.200 0.092 0.000 2.153 123 E HA -0.193 4.152 4.350 -0.008 0.000 0.194 123 E C 1.739 178.305 176.600 -0.056 0.000 0.988 123 E CA 0.776 57.202 56.400 0.043 0.000 0.811 123 E CB -0.038 29.692 29.700 0.048 0.000 0.746 123 E HN 0.426 nan 8.360 nan 0.000 0.466 124 E N 0.362 120.546 120.200 -0.028 0.000 2.409 124 E HA -0.100 4.245 4.350 -0.008 0.000 0.198 124 E C 1.838 178.380 176.600 -0.098 0.000 1.024 124 E CA 0.525 56.907 56.400 -0.030 0.000 0.861 124 E CB 0.069 29.784 29.700 0.025 0.000 0.788 124 E HN 0.431 nan 8.360 nan 0.000 0.521 125 I N 0.673 121.123 120.570 -0.199 0.000 2.716 125 I HA -0.083 4.082 4.170 -0.008 0.000 0.259 125 I C 1.369 177.183 176.117 -0.505 0.000 1.172 125 I CA 0.124 61.243 61.300 -0.302 0.000 1.478 125 I CB 0.082 37.915 38.000 -0.278 0.000 1.104 125 I HN -0.015 nan 8.210 nan 0.000 0.439 126 E N 2.757 122.523 120.200 -0.725 0.000 2.414 126 E HA -0.045 4.300 4.350 -0.008 0.000 0.263 126 E C -0.242 176.264 176.600 -0.158 0.000 1.000 126 E CA -0.150 55.883 56.400 -0.611 0.000 0.914 126 E CB 0.654 30.119 29.700 -0.391 0.000 0.948 126 E HN 0.081 nan 8.360 nan 0.000 0.444 127 E N 3.349 123.556 120.200 0.012 0.000 2.331 127 E HA 0.080 4.425 4.350 -0.008 0.000 0.272 127 E C -0.836 175.871 176.600 0.177 0.000 1.036 127 E CA -0.287 56.205 56.400 0.152 0.000 0.864 127 E CB 0.882 30.764 29.700 0.303 0.000 1.035 127 E HN 0.491 nan 8.360 nan 0.000 0.408 128 D N 0.756 121.233 120.400 0.128 0.000 2.414 128 D HA 0.174 4.809 4.640 -0.008 0.000 0.242 128 D C -0.452 175.878 176.300 0.050 0.000 1.129 128 D CA 0.090 54.133 54.000 0.072 0.000 0.885 128 D CB 0.693 41.521 40.800 0.046 0.000 1.198 128 D HN 0.379 nan 8.370 nan 0.000 0.437 129 A N 2.514 125.314 122.820 -0.033 0.000 2.807 129 A HA 0.480 4.795 4.320 -0.008 0.000 0.307 129 A C 0.909 178.334 177.584 -0.265 0.000 1.532 129 A CA -0.442 51.390 52.037 -0.342 0.000 1.215 129 A CB -0.185 18.690 19.000 -0.208 0.000 1.127 129 A HN 0.504 nan 8.150 nan 0.000 0.543 130 G N 1.964 110.567 108.800 -0.329 0.000 3.717 130 G HA2 0.420 4.375 3.960 -0.008 0.000 0.258 130 G HA3 0.420 4.375 3.960 -0.008 0.000 0.258 130 G C 0.282 174.973 174.900 -0.349 0.000 1.088 130 G CA -0.293 44.699 45.100 -0.180 0.000 1.737 130 G HN 0.686 nan 8.290 nan 0.000 0.648 131 L N 1.480 122.552 121.223 -0.251 0.000 2.939 131 L HA 0.380 4.715 4.340 -0.008 0.000 0.239 131 L C 1.028 177.845 176.870 -0.088 0.000 1.325 131 L CA -0.224 54.571 54.840 -0.075 0.000 1.170 131 L CB -0.330 41.805 42.059 0.126 0.000 1.538 131 L HN 0.349 nan 8.230 nan 0.000 0.452 132 G N -1.263 107.255 108.800 -0.470 0.000 2.660 132 G HA2 0.211 4.166 3.960 -0.008 0.000 0.290 132 G HA3 0.211 4.166 3.960 -0.008 0.000 0.290 132 G C -0.160 174.237 174.900 -0.839 0.000 1.432 132 G CA -0.440 44.335 45.100 -0.541 0.000 0.807 132 G HN -0.082 nan 8.290 nan 0.000 0.485 133 N N -0.825 117.627 118.700 -0.412 0.000 2.436 133 N HA 0.217 4.952 4.740 -0.008 0.000 0.178 133 N C 1.140 176.632 175.510 -0.030 0.000 1.026 133 N CA 1.279 54.189 53.050 -0.233 0.000 0.880 133 N CB 1.265 39.732 38.487 -0.034 0.000 1.061 133 N HN 0.816 nan 8.380 nan 0.000 0.434 134 G N -0.710 108.169 108.800 0.132 0.000 2.818 134 G HA2 0.214 4.169 3.960 -0.008 0.000 0.109 134 G HA3 0.214 4.169 3.960 -0.008 0.000 0.109 134 G C 0.741 175.779 174.900 0.230 0.000 1.206 134 G CA 0.238 45.518 45.100 0.300 0.000 1.243 134 G HN 0.150 nan 8.290 nan 0.000 0.609 135 G N 0.437 109.304 108.800 0.113 0.000 2.476 135 G HA2 -0.149 3.806 3.960 -0.008 0.000 0.218 135 G HA3 -0.149 3.806 3.960 -0.008 0.000 0.218 135 G C 1.896 176.784 174.900 -0.019 0.000 1.164 135 G CA 1.635 46.756 45.100 0.035 0.000 0.768 135 G HN 0.815 nan 8.290 nan 0.000 0.560 136 L N 0.607 121.799 121.223 -0.051 0.000 2.017 136 L HA 0.096 4.431 4.340 -0.008 0.000 0.208 136 L C 2.852 179.644 176.870 -0.129 0.000 1.073 136 L CA 2.115 56.837 54.840 -0.197 0.000 0.745 136 L CB -0.582 41.339 42.059 -0.230 0.000 0.894 136 L HN 0.228 nan 8.230 nan 0.000 0.432 137 G N -0.879 107.915 108.800 -0.009 0.000 2.421 137 G HA2 -0.244 3.711 3.960 -0.008 0.000 0.217 137 G HA3 -0.244 3.711 3.960 -0.008 0.000 0.217 137 G C 1.692 176.658 174.900 0.110 0.000 1.143 137 G CA 0.339 45.458 45.100 0.031 0.000 0.784 137 G HN 0.195 nan 8.290 nan 0.000 0.541 138 R N 0.235 120.827 120.500 0.153 0.000 2.090 138 R HA 0.098 4.433 4.340 -0.008 0.000 0.228 138 R C 2.405 178.691 176.300 -0.023 0.000 1.110 138 R CA 0.728 56.876 56.100 0.079 0.000 0.973 138 R CB -1.053 29.247 30.300 0.000 0.000 0.869 138 R HN 0.378 nan 8.270 nan 0.000 0.440 139 L N 0.681 121.820 121.223 -0.139 0.000 2.042 139 L HA -0.068 4.267 4.340 -0.008 0.000 0.210 139 L C 2.175 178.720 176.870 -0.543 0.000 1.076 139 L CA 2.239 56.845 54.840 -0.390 0.000 0.749 139 L CB -0.820 40.970 42.059 -0.448 0.000 0.893 139 L HN 0.202 nan 8.230 nan 0.000 0.432 140 A N -0.641 122.005 122.820 -0.291 0.000 1.908 140 A HA -0.144 4.171 4.320 -0.008 0.000 0.218 140 A C 2.441 180.058 177.584 0.054 0.000 1.181 140 A CA 1.880 53.820 52.037 -0.161 0.000 0.627 140 A CB -1.143 17.726 19.000 -0.219 0.000 0.818 140 A HN 0.575 nan 8.150 nan 0.000 0.445 141 A N -1.056 121.831 122.820 0.112 0.000 1.873 141 A HA -0.156 4.159 4.320 -0.008 0.000 0.215 141 A C 2.315 179.968 177.584 0.115 0.000 1.186 141 A CA 1.641 53.780 52.037 0.170 0.000 0.616 141 A CB -1.274 17.813 19.000 0.145 0.000 0.823 141 A HN 0.596 nan 8.150 nan 0.000 0.442 142 C N -1.438 117.924 119.300 0.103 0.000 2.429 142 C HA -0.066 4.389 4.460 -0.008 0.000 0.277 142 C C 2.432 177.580 174.990 0.263 0.000 1.262 142 C CA 0.619 59.741 59.018 0.173 0.000 1.733 142 C CB -1.618 26.244 27.740 0.204 0.000 2.010 142 C HN 0.605 nan 8.230 nan 0.000 0.483 143 F N 1.173 121.102 119.950 -0.035 0.000 2.134 143 F HA -0.082 4.440 4.527 -0.009 0.000 0.299 143 F C 2.249 177.986 175.800 -0.105 0.000 1.097 143 F CA 1.028 58.955 58.000 -0.121 0.000 1.264 143 F CB -1.404 37.384 39.000 -0.354 0.000 1.001 143 F HN 0.198 nan 8.300 nan 0.000 0.479 144 L N -0.394 120.903 121.223 0.123 0.000 2.046 144 L HA -0.253 4.082 4.340 -0.008 0.000 0.208 144 L C 2.157 179.037 176.870 0.016 0.000 1.077 144 L CA 1.929 56.797 54.840 0.045 0.000 0.747 144 L CB -0.756 41.334 42.059 0.051 0.000 0.896 144 L HN 0.108 nan 8.230 nan 0.000 0.432 145 D N -0.511 119.909 120.400 0.033 0.000 2.097 145 D HA -0.177 4.458 4.640 -0.008 0.000 0.195 145 D C 2.207 178.520 176.300 0.023 0.000 0.989 145 D CA 1.520 55.525 54.000 0.008 0.000 0.827 145 D CB 0.201 41.006 40.800 0.007 0.000 0.966 145 D HN 0.076 nan 8.370 nan 0.000 0.456 146 S N -0.736 114.996 115.700 0.052 0.000 2.383 146 S HA -0.101 4.364 4.470 -0.008 0.000 0.227 146 S C 1.991 176.601 174.600 0.018 0.000 1.026 146 S CA 0.863 59.085 58.200 0.037 0.000 0.981 146 S CB -0.215 63.012 63.200 0.046 0.000 0.818 146 S HN 0.347 nan 8.310 nan 0.000 0.472 147 M N 0.930 120.534 119.600 0.006 0.000 2.159 147 M HA -0.085 4.390 4.480 -0.008 0.000 0.263 147 M C 2.430 178.728 176.300 -0.002 0.000 1.063 147 M CA 1.374 56.674 55.300 0.000 0.000 1.110 147 M CB -0.503 32.077 32.600 -0.033 0.000 1.374 147 M HN 0.391 nan 8.290 nan 0.000 0.411 148 A N -0.306 122.509 122.820 -0.009 0.000 1.897 148 A HA -0.097 4.218 4.320 -0.008 0.000 0.215 148 A C 2.158 179.753 177.584 0.019 0.000 1.181 148 A CA 1.842 53.877 52.037 -0.003 0.000 0.620 148 A CB -0.970 18.010 19.000 -0.033 0.000 0.821 148 A HN 0.402 nan 8.150 nan 0.000 0.443 149 T N 0.237 114.807 114.554 0.027 0.000 2.915 149 T HA 0.032 4.377 4.350 -0.008 0.000 0.269 149 T C 1.257 175.985 174.700 0.047 0.000 1.071 149 T CA 0.960 63.091 62.100 0.050 0.000 1.132 149 T CB -0.245 68.660 68.868 0.063 0.000 0.878 149 T HN 0.332 nan 8.240 nan 0.000 0.479 150 L N 0.465 121.711 121.223 0.039 0.000 2.653 150 L HA 0.310 4.645 4.340 -0.008 0.000 0.231 150 L C 1.595 178.496 176.870 0.051 0.000 1.153 150 L CA -0.145 54.721 54.840 0.043 0.000 0.933 150 L CB -0.345 41.738 42.059 0.041 0.000 1.175 150 L HN 0.371 nan 8.230 nan 0.000 0.473 151 G N 1.194 110.028 108.800 0.057 0.000 2.283 151 G HA2 -0.290 3.665 3.960 -0.008 0.000 0.280 151 G HA3 -0.290 3.665 3.960 -0.008 0.000 0.280 151 G C 0.121 175.071 174.900 0.084 0.000 1.029 151 G CA 0.121 45.274 45.100 0.089 0.000 0.840 151 G HN 0.295 nan 8.290 nan 0.000 0.505 152 L N -0.228 121.011 121.223 0.027 0.000 2.334 152 L HA 0.608 4.943 4.340 -0.008 0.000 0.277 152 L C 1.199 177.944 176.870 -0.208 0.000 1.075 152 L CA -0.385 54.421 54.840 -0.057 0.000 0.804 152 L CB 1.606 43.645 42.059 -0.033 0.000 1.174 152 L HN 0.246 nan 8.230 nan 0.000 0.438 153 A N 3.036 125.583 122.820 -0.455 0.000 2.981 153 A HA 0.555 4.870 4.320 -0.008 0.000 0.280 153 A C 0.314 177.530 177.584 -0.614 0.000 1.743 153 A CA -0.174 51.290 52.037 -0.955 0.000 1.430 153 A CB -0.659 17.658 19.000 -1.138 0.000 1.085 153 A HN 0.696 nan 8.150 nan 0.000 0.597 154 A N 1.434 123.945 122.820 -0.516 0.000 2.325 154 A HA 0.789 5.104 4.320 -0.008 0.000 0.333 154 A C -1.001 176.286 177.584 -0.494 0.000 1.155 154 A CA -0.448 51.344 52.037 -0.409 0.000 0.814 154 A CB 0.713 19.556 19.000 -0.263 0.000 1.206 154 A HN 0.617 nan 8.150 nan 0.000 0.482 155 Y N 0.285 120.502 120.300 -0.137 0.000 2.361 155 Y HA 0.536 5.082 4.550 -0.008 0.000 0.337 155 Y C 0.829 176.788 175.900 0.098 0.000 0.965 155 Y CA -0.514 57.571 58.100 -0.025 0.000 1.091 155 Y CB 2.417 40.945 38.460 0.113 0.000 1.182 155 Y HN 0.830 nan 8.280 nan 0.000 0.450 156 G N 2.234 111.081 108.800 0.079 0.000 2.338 156 G HA2 0.455 4.410 3.960 -0.008 0.000 0.298 156 G HA3 0.455 4.410 3.960 -0.008 0.000 0.298 156 G C -1.775 173.094 174.900 -0.051 0.000 1.140 156 G CA -0.272 44.907 45.100 0.132 0.000 0.860 156 G HN 0.514 nan 8.290 nan 0.000 0.470 157 Y N 1.085 121.595 120.300 0.349 0.000 2.350 157 Y HA 0.632 5.177 4.550 -0.008 0.000 0.338 157 Y C 0.760 176.951 175.900 0.485 0.000 0.961 157 Y CA 0.213 58.490 58.100 0.296 0.000 1.100 157 Y CB 2.630 41.297 38.460 0.344 0.000 1.179 157 Y HN 0.867 nan 8.280 nan 0.000 0.454 158 G N 2.401 111.503 108.800 0.503 0.000 2.753 158 G HA2 0.593 4.548 3.960 -0.008 0.000 0.303 158 G HA3 0.593 4.548 3.960 -0.008 0.000 0.303 158 G C -1.729 173.400 174.900 0.381 0.000 1.242 158 G CA -0.811 44.622 45.100 0.555 0.000 0.810 158 G HN 0.421 nan 8.290 nan 0.000 0.515 159 I N 0.535 121.224 120.570 0.199 0.000 2.474 159 I HA 0.435 4.600 4.170 -0.008 0.000 0.294 159 I C 0.179 176.189 176.117 -0.179 0.000 1.005 159 I CA -0.741 60.564 61.300 0.007 0.000 1.113 159 I CB 2.286 40.111 38.000 -0.292 0.000 1.289 159 I HN 0.378 nan 8.210 nan 0.000 0.436 160 R N 6.059 126.560 120.500 0.002 0.000 2.608 160 R HA 0.241 4.576 4.340 -0.008 0.000 0.277 160 R C -1.260 175.096 176.300 0.093 0.000 1.341 160 R CA -0.442 55.696 56.100 0.064 0.000 1.199 160 R CB -0.038 30.274 30.300 0.020 0.000 1.156 160 R HN 0.389 nan 8.270 nan 0.000 0.558 161 Y N 1.476 121.941 120.300 0.275 0.000 2.511 161 Y HA -0.076 4.469 4.550 -0.008 0.000 0.332 161 Y C 1.564 177.649 175.900 0.309 0.000 1.177 161 Y CA 0.083 58.335 58.100 0.254 0.000 1.422 161 Y CB 0.791 39.379 38.460 0.213 0.000 1.271 161 Y HN 0.586 nan 8.280 nan 0.000 0.550 162 E N 1.982 122.369 120.200 0.311 0.000 2.107 162 E HA -0.057 4.288 4.350 -0.008 0.000 0.191 162 E C -0.727 175.750 176.600 -0.205 0.000 0.982 162 E CA 0.698 57.075 56.400 -0.039 0.000 0.809 162 E CB 0.184 29.789 29.700 -0.158 0.000 0.756 162 E HN 0.491 nan 8.360 nan 0.000 0.459 163 F N -0.393 119.781 119.950 0.373 0.000 2.477 163 F HA 0.432 4.954 4.527 -0.008 0.000 0.335 163 F C 0.763 176.668 175.800 0.175 0.000 1.130 163 F CA -0.877 57.304 58.000 0.303 0.000 0.948 163 F CB 1.863 40.966 39.000 0.172 0.000 1.154 163 F HN -0.118 nan 8.300 nan 0.000 0.439 164 G N 1.830 110.752 108.800 0.204 0.000 2.582 164 G HA2 0.351 4.306 3.960 -0.008 0.000 0.232 164 G HA3 0.351 4.306 3.960 -0.008 0.000 0.232 164 G C -0.549 174.317 174.900 -0.057 0.000 1.458 164 G CA -0.685 44.377 45.100 -0.063 0.000 1.062 164 G HN 0.551 nan 8.290 nan 0.000 0.566 165 I N 0.968 121.422 120.570 -0.193 0.000 2.752 165 I HA 0.215 4.380 4.170 -0.008 0.000 0.289 165 I C 0.515 176.534 176.117 -0.163 0.000 1.197 165 I CA -1.174 59.980 61.300 -0.244 0.000 1.432 165 I CB -0.309 37.446 38.000 -0.409 0.000 1.359 165 I HN 0.330 nan 8.210 nan 0.000 0.571 166 F N 6.420 126.385 119.950 0.026 0.000 2.589 166 F HA 0.259 4.781 4.527 -0.008 0.000 0.352 166 F C 0.456 176.311 175.800 0.092 0.000 1.168 166 F CA -0.540 57.498 58.000 0.065 0.000 1.353 166 F CB -0.308 38.717 39.000 0.041 0.000 1.116 166 F HN 0.433 nan 8.300 nan 0.000 0.608 167 N N 2.319 121.210 118.700 0.320 0.000 2.488 167 N HA 0.063 4.798 4.740 -0.008 0.000 0.274 167 N C -0.857 174.901 175.510 0.413 0.000 1.111 167 N CA -0.304 52.901 53.050 0.258 0.000 0.974 167 N CB 1.217 39.842 38.487 0.231 0.000 1.089 167 N HN 0.763 nan 8.380 nan 0.000 0.465 168 Q N 2.449 122.461 119.800 0.353 0.000 2.278 168 Q HA 0.188 4.523 4.340 -0.008 0.000 0.257 168 Q C -0.982 175.192 176.000 0.290 0.000 0.928 168 Q CA -0.400 55.648 55.803 0.407 0.000 0.932 168 Q CB 0.736 29.723 28.738 0.415 0.000 1.221 168 Q HN 0.231 nan 8.270 nan 0.000 0.434 169 K N 4.187 124.730 120.400 0.238 0.000 2.259 169 K HA 0.476 4.791 4.320 -0.008 0.000 0.252 169 K C -0.722 175.971 176.600 0.156 0.000 0.936 169 K CA -0.883 55.518 56.287 0.190 0.000 0.810 169 K CB 1.609 34.200 32.500 0.152 0.000 1.143 169 K HN 0.632 nan 8.250 nan 0.000 0.427 170 I N 2.589 123.241 120.570 0.137 0.000 2.330 170 I HA 0.223 4.388 4.170 -0.008 0.000 0.289 170 I C -0.307 175.861 176.117 0.085 0.000 1.001 170 I CA -0.655 60.693 61.300 0.080 0.000 1.193 170 I CB 0.746 38.771 38.000 0.041 0.000 1.345 170 I HN 0.415 nan 8.210 nan 0.000 0.461 171 C N 3.951 123.313 119.300 0.103 0.000 2.322 171 C HA 0.596 5.051 4.460 -0.008 0.000 0.324 171 C C 1.125 176.217 174.990 0.170 0.000 1.249 171 C CA -0.503 58.583 59.018 0.114 0.000 1.453 171 C CB 0.560 28.361 27.740 0.101 0.000 2.145 171 C HN 1.087 nan 8.230 nan 0.000 0.466 172 G N 2.403 111.278 108.800 0.124 0.000 2.249 172 G HA2 0.120 4.074 3.960 -0.008 0.000 0.273 172 G HA3 0.120 4.074 3.960 -0.008 0.000 0.273 172 G C 1.093 176.026 174.900 0.056 0.000 1.036 172 G CA 0.969 46.157 45.100 0.148 0.000 0.824 172 G HN 2.408 nan 8.290 nan 0.000 0.504 173 G N -2.943 105.826 108.800 -0.053 0.000 2.179 173 G HA2 -0.295 3.660 3.960 -0.008 0.000 0.260 173 G HA3 -0.295 3.660 3.960 -0.008 0.000 0.260 173 G C 0.376 175.042 174.900 -0.391 0.000 0.977 173 G CA 0.748 45.693 45.100 -0.258 0.000 0.641 173 G HN 1.217 nan 8.290 nan 0.000 0.533 174 W N 0.611 121.851 121.300 -0.101 0.000 2.516 174 W HA 0.667 5.322 4.660 -0.008 0.000 0.343 174 W C 0.603 177.057 176.519 -0.107 0.000 1.094 174 W CA -0.876 56.402 57.345 -0.112 0.000 1.250 174 W CB 0.821 30.233 29.460 -0.080 0.000 1.308 174 W HN 0.241 nan 8.180 nan 0.000 0.588 175 Q N 2.857 122.746 119.800 0.147 0.000 2.304 175 Q HA 0.302 4.637 4.340 -0.008 0.000 0.260 175 Q C -0.675 175.372 176.000 0.079 0.000 0.965 175 Q CA 0.029 55.884 55.803 0.086 0.000 0.898 175 Q CB 0.600 29.380 28.738 0.071 0.000 1.196 175 Q HN 0.312 nan 8.270 nan 0.000 0.402 176 M N 3.103 122.746 119.600 0.070 0.000 2.393 176 M HA 0.396 4.871 4.480 -0.008 0.000 0.316 176 M C -1.157 175.144 176.300 0.001 0.000 1.087 176 M CA -0.662 54.649 55.300 0.019 0.000 0.937 176 M CB 1.833 34.460 32.600 0.046 0.000 1.668 176 M HN 0.630 nan 8.290 nan 0.000 0.438 177 E N 1.688 121.817 120.200 -0.119 0.000 2.191 177 E HA 0.527 4.872 4.350 -0.008 0.000 0.274 177 E C -0.731 175.856 176.600 -0.021 0.000 0.948 177 E CA -0.614 55.680 56.400 -0.176 0.000 0.802 177 E CB 1.815 31.133 29.700 -0.636 0.000 1.137 177 E HN 0.532 nan 8.360 nan 0.000 0.397 178 E N 0.860 121.131 120.200 0.119 0.000 2.331 178 E HA 0.674 5.019 4.350 -0.008 0.000 0.275 178 E C -1.167 175.531 176.600 0.163 0.000 0.895 178 E CA -1.424 55.039 56.400 0.105 0.000 0.753 178 E CB 1.407 31.176 29.700 0.116 0.000 1.216 178 E HN 0.489 nan 8.360 nan 0.000 0.434 179 A N 2.548 125.423 122.820 0.091 0.000 2.567 179 A HA 0.014 4.329 4.320 -0.008 0.000 0.240 179 A C 0.034 177.804 177.584 0.309 0.000 1.053 179 A CA 0.520 52.628 52.037 0.118 0.000 0.755 179 A CB -0.072 18.864 19.000 -0.107 0.000 0.978 179 A HN 0.685 nan 8.150 nan 0.000 0.507 180 D N 1.821 122.477 120.400 0.426 0.000 2.522 180 D HA 0.190 4.825 4.640 -0.008 0.000 0.218 180 D C -0.335 176.298 176.300 0.555 0.000 1.149 180 D CA -0.207 54.041 54.000 0.413 0.000 0.981 180 D CB 0.245 41.223 40.800 0.296 0.000 1.041 180 D HN 0.405 nan 8.370 nan 0.000 0.518 181 D N 3.461 124.147 120.400 0.478 0.000 2.801 181 D HA -0.036 4.599 4.640 -0.008 0.000 0.232 181 D C 1.252 177.674 176.300 0.204 0.000 1.128 181 D CA -0.532 53.643 54.000 0.291 0.000 1.003 181 D CB -0.215 40.766 40.800 0.300 0.000 1.110 181 D HN 0.528 nan 8.370 nan 0.000 0.477 182 W N 1.665 122.994 121.300 0.048 0.000 2.468 182 W HA -0.065 4.590 4.660 -0.008 0.000 0.262 182 W C 0.075 176.643 176.519 0.082 0.000 1.241 182 W CA 0.166 57.564 57.345 0.088 0.000 1.232 182 W CB -0.759 28.757 29.460 0.093 0.000 1.124 182 W HN 0.202 nan 8.180 nan 0.000 0.597 183 L N 0.931 121.786 121.223 -0.612 0.000 2.607 183 L HA 0.169 4.504 4.340 -0.008 0.000 0.228 183 L C 2.756 179.455 176.870 -0.286 0.000 1.123 183 L CA -0.016 54.442 54.840 -0.637 0.000 0.890 183 L CB -0.635 40.928 42.059 -0.826 0.000 1.103 183 L HN -0.105 nan 8.230 nan 0.000 0.468 184 R N 0.903 121.288 120.500 -0.193 0.000 2.133 184 R HA -0.254 4.081 4.340 -0.008 0.000 0.245 184 R C 1.373 177.482 176.300 -0.318 0.000 1.137 184 R CA 2.280 58.224 56.100 -0.260 0.000 0.947 184 R CB -0.319 29.796 30.300 -0.309 0.000 0.865 184 R HN 0.304 nan 8.270 nan 0.000 0.437 185 Y N -0.219 120.099 120.300 0.030 0.000 2.461 185 Y HA 0.324 4.869 4.550 -0.008 0.000 0.277 185 Y C 0.847 176.751 175.900 0.007 0.000 1.182 185 Y CA 0.460 58.585 58.100 0.042 0.000 1.276 185 Y CB 0.685 39.274 38.460 0.215 0.000 1.087 185 Y HN 0.509 nan 8.280 nan 0.000 0.519 186 G N 1.312 110.162 108.800 0.084 0.000 2.690 186 G HA2 -0.222 3.733 3.960 -0.008 0.000 0.686 186 G HA3 -0.222 3.733 3.960 -0.008 0.000 0.686 186 G C -1.235 173.752 174.900 0.146 0.000 1.277 186 G CA -0.825 44.299 45.100 0.042 0.000 0.799 186 G HN 0.261 nan 8.290 nan 0.000 0.613 187 N N 1.350 120.077 118.700 0.045 0.000 2.569 187 N HA 0.551 5.286 4.740 -0.008 0.000 0.254 187 N C -0.561 174.954 175.510 0.009 0.000 1.004 187 N CA -1.912 51.177 53.050 0.065 0.000 0.904 187 N CB 2.042 40.505 38.487 -0.041 0.000 1.165 187 N HN 0.266 nan 8.380 nan 0.000 0.513 188 P HA -0.014 nan 4.420 nan 0.000 0.226 188 P C 0.597 177.558 177.300 -0.566 0.000 1.153 188 P CA 0.774 63.560 63.100 -0.523 0.000 0.777 188 P CB 0.116 31.221 31.700 -0.991 0.000 0.794 189 W N 1.919 123.221 121.300 0.003 0.000 2.576 189 W HA 0.052 4.707 4.660 -0.008 0.000 0.270 189 W C 1.333 177.885 176.519 0.056 0.000 1.255 189 W CA -0.341 57.003 57.345 -0.001 0.000 1.314 189 W CB -0.228 29.236 29.460 0.006 0.000 1.101 189 W HN 0.028 nan 8.180 nan 0.000 0.595 190 E N 1.618 121.984 120.200 0.277 0.000 2.318 190 E HA 0.352 4.697 4.350 -0.008 0.000 0.265 190 E C -0.613 176.149 176.600 0.270 0.000 1.069 190 E CA -0.787 55.788 56.400 0.293 0.000 0.893 190 E CB 1.336 31.227 29.700 0.319 0.000 1.076 190 E HN -0.329 nan 8.360 nan 0.000 0.414 191 K N 1.419 121.991 120.400 0.286 0.000 2.604 191 K HA 0.410 4.725 4.320 -0.008 0.000 0.247 191 K C -1.254 175.363 176.600 0.029 0.000 0.956 191 K CA -0.460 55.931 56.287 0.174 0.000 0.896 191 K CB 1.481 34.095 32.500 0.189 0.000 1.131 191 K HN 0.669 nan 8.250 nan 0.000 0.440 192 A N 4.048 126.799 122.820 -0.114 0.000 2.477 192 A HA 0.367 4.682 4.320 -0.008 0.000 0.246 192 A C -0.211 177.214 177.584 -0.266 0.000 1.078 192 A CA -0.119 51.604 52.037 -0.524 0.000 0.770 192 A CB 0.226 18.894 19.000 -0.553 0.000 1.011 192 A HN 0.658 nan 8.150 nan 0.000 0.494 193 R N 3.135 123.484 120.500 -0.250 0.000 2.886 193 R HA 0.195 4.530 4.340 -0.008 0.000 0.306 193 R C -2.270 174.041 176.300 0.018 0.000 1.300 193 R CA -1.744 54.350 56.100 -0.010 0.000 1.441 193 R CB 0.533 30.925 30.300 0.153 0.000 1.328 193 R HN 0.609 nan 8.270 nan 0.000 0.629 194 P HA -0.216 nan 4.420 nan 0.000 0.220 194 P C 0.821 178.101 177.300 -0.034 0.000 1.144 194 P CA 1.255 64.334 63.100 -0.035 0.000 0.800 194 P CB 0.374 32.042 31.700 -0.054 0.000 0.772 195 E N -0.299 119.829 120.200 -0.120 0.000 2.338 195 E HA -0.132 4.213 4.350 -0.008 0.000 0.197 195 E C 0.816 177.185 176.600 -0.386 0.000 1.007 195 E CA 0.816 57.040 56.400 -0.293 0.000 0.849 195 E CB -0.898 28.517 29.700 -0.474 0.000 0.774 195 E HN 0.310 nan 8.360 nan 0.000 0.506 196 F N 1.916 121.881 119.950 0.024 0.000 2.684 196 F HA 0.234 4.756 4.527 -0.008 0.000 0.298 196 F C 0.480 176.377 175.800 0.161 0.000 1.120 196 F CA -0.306 57.741 58.000 0.078 0.000 1.332 196 F CB 0.351 39.393 39.000 0.070 0.000 0.986 196 F HN -0.291 nan 8.300 nan 0.000 0.524 197 T N 2.809 117.502 114.554 0.232 0.000 2.928 197 T HA 0.249 4.594 4.350 -0.008 0.000 0.305 197 T C -0.199 174.600 174.700 0.164 0.000 1.035 197 T CA 0.363 62.601 62.100 0.230 0.000 1.145 197 T CB 0.607 69.559 68.868 0.140 0.000 0.963 197 T HN -0.163 nan 8.240 nan 0.000 0.545 198 L N 5.592 126.882 121.223 0.113 0.000 2.354 198 L HA 0.589 4.924 4.340 -0.008 0.000 0.264 198 L C -2.196 174.621 176.870 -0.088 0.000 1.008 198 L CA -2.542 52.286 54.840 -0.019 0.000 0.819 198 L CB 1.966 43.943 42.059 -0.136 0.000 1.339 198 L HN 0.388 nan 8.230 nan 0.000 0.420 199 P HA 0.391 nan 4.420 nan 0.000 0.288 199 P C -1.279 175.864 177.300 -0.261 0.000 1.267 199 P CA -0.410 62.591 63.100 -0.165 0.000 0.815 199 P CB 2.007 33.610 31.700 -0.162 0.000 0.989 200 V N 3.741 123.485 119.914 -0.284 0.000 2.656 200 V HA 0.333 4.448 4.120 -0.008 0.000 0.307 200 V C 0.155 176.002 176.094 -0.413 0.000 1.051 200 V CA -0.623 61.498 62.300 -0.297 0.000 0.893 200 V CB 1.581 33.308 31.823 -0.159 0.000 0.999 200 V HN 0.610 nan 8.190 nan 0.000 0.426 201 H N 3.668 122.586 119.070 -0.253 0.000 2.463 201 H HA 0.641 5.192 4.556 -0.008 0.000 0.332 201 H C -1.288 173.762 175.328 -0.463 0.000 1.127 201 H CA -0.166 55.649 56.048 -0.389 0.000 1.238 201 H CB 1.930 31.193 29.762 -0.832 0.000 1.478 201 H HN 0.483 nan 8.280 nan 0.000 0.499 202 F N 0.168 120.171 119.950 0.088 0.000 2.613 202 F HA 0.204 4.726 4.527 -0.008 0.000 0.314 202 F C -0.266 175.644 175.800 0.184 0.000 1.075 202 F CA -0.561 57.495 58.000 0.093 0.000 0.945 202 F CB 1.096 40.055 39.000 -0.068 0.000 1.310 202 F HN 0.537 nan 8.300 nan 0.000 0.467 203 Y N 0.257 120.864 120.300 0.512 0.000 2.896 203 Y HA -0.013 4.532 4.550 -0.008 0.000 0.466 203 Y C 1.348 177.511 175.900 0.439 0.000 1.196 203 Y CA 0.725 59.045 58.100 0.367 0.000 2.514 203 Y CB -1.896 36.710 38.460 0.242 0.000 1.231 203 Y HN 1.303 nan 8.280 nan 0.000 0.632 204 G N 0.612 109.696 108.800 0.474 0.000 2.593 204 G HA2 0.113 4.068 3.960 -0.008 0.000 0.237 204 G HA3 0.113 4.068 3.960 -0.008 0.000 0.237 204 G C -0.577 174.542 174.900 0.365 0.000 1.312 204 G CA 0.877 46.180 45.100 0.337 0.000 0.896 204 G HN 1.365 nan 8.290 nan 0.000 0.574 205 R N -2.551 118.158 120.500 0.349 0.000 2.752 205 R HA 0.705 5.040 4.340 -0.008 0.000 0.271 205 R C -1.363 175.071 176.300 0.223 0.000 1.026 205 R CA -0.995 55.247 56.100 0.237 0.000 0.901 205 R CB 1.316 31.703 30.300 0.144 0.000 1.243 205 R HN 0.884 nan 8.270 nan 0.000 0.463 206 V N 0.918 120.876 119.914 0.074 0.000 2.427 206 V HA 0.352 4.467 4.120 -0.008 0.000 0.286 206 V C -0.165 175.855 176.094 -0.124 0.000 1.034 206 V CA -0.504 61.765 62.300 -0.051 0.000 0.893 206 V CB 1.343 33.060 31.823 -0.176 0.000 0.982 206 V HN 0.687 nan 8.190 nan 0.000 0.452 207 E N 2.870 122.979 120.200 -0.152 0.000 2.171 207 E HA 0.402 4.747 4.350 -0.008 0.000 0.271 207 E C -1.064 175.398 176.600 -0.230 0.000 0.916 207 E CA -0.724 55.604 56.400 -0.120 0.000 0.774 207 E CB 1.008 30.692 29.700 -0.026 0.000 1.128 207 E HN 0.671 nan 8.360 nan 0.000 0.403 208 H N 2.719 121.804 119.070 0.025 0.000 2.685 208 H HA 0.166 4.717 4.556 -0.008 0.000 0.286 208 H C 0.218 175.555 175.328 0.015 0.000 1.102 208 H CA -0.203 55.855 56.048 0.016 0.000 1.254 208 H CB 0.766 30.533 29.762 0.009 0.000 1.397 208 H HN 0.557 nan 8.280 nan 0.000 0.473 209 T N -0.608 114.006 114.554 0.100 0.000 2.893 209 T HA 0.208 4.553 4.350 -0.008 0.000 0.279 209 T C 1.601 176.339 174.700 0.063 0.000 0.991 209 T CA -0.577 61.562 62.100 0.066 0.000 0.950 209 T CB 0.982 69.873 68.868 0.039 0.000 1.223 209 T HN 0.323 nan 8.240 nan 0.000 0.585 210 S N 0.327 116.053 115.700 0.043 0.000 2.377 210 S HA -0.145 4.320 4.470 -0.008 0.000 0.224 210 S C 0.941 175.562 174.600 0.036 0.000 1.042 210 S CA 1.423 59.644 58.200 0.034 0.000 1.086 210 S CB -0.560 62.655 63.200 0.026 0.000 0.995 210 S HN 0.751 nan 8.310 nan 0.000 0.428 211 Q N 0.480 120.301 119.800 0.035 0.000 2.466 211 Q HA 0.548 4.883 4.340 -0.008 0.000 0.242 211 Q C 0.055 176.080 176.000 0.041 0.000 1.046 211 Q CA 0.439 56.263 55.803 0.035 0.000 0.841 211 Q CB 0.685 29.439 28.738 0.028 0.000 1.193 211 Q HN 0.569 nan 8.270 nan 0.000 0.508 212 G N 1.508 110.342 108.800 0.057 0.000 2.730 212 G HA2 0.101 4.056 3.960 -0.008 0.000 0.686 212 G HA3 0.101 4.056 3.960 -0.008 0.000 0.686 212 G C -0.751 174.190 174.900 0.069 0.000 1.343 212 G CA -0.628 44.511 45.100 0.065 0.000 0.826 212 G HN 0.795 nan 8.290 nan 0.000 0.582 213 A N 0.777 123.630 122.820 0.056 0.000 2.279 213 A HA 0.841 5.156 4.320 -0.008 0.000 0.303 213 A C 0.398 177.950 177.584 -0.053 0.000 1.108 213 A CA -0.086 51.921 52.037 -0.049 0.000 0.830 213 A CB 0.924 19.855 19.000 -0.116 0.000 1.106 213 A HN 0.811 nan 8.150 nan 0.000 0.493 214 K N 0.462 120.814 120.400 -0.079 0.000 2.427 214 K HA 0.228 4.543 4.320 -0.008 0.000 0.252 214 K C -1.864 174.773 176.600 0.062 0.000 0.931 214 K CA -0.370 55.914 56.287 -0.005 0.000 0.793 214 K CB 2.259 34.757 32.500 -0.004 0.000 1.211 214 K HN 0.715 nan 8.250 nan 0.000 0.426 215 W N 5.270 126.491 121.300 -0.132 0.000 2.308 215 W HA 0.352 5.007 4.660 -0.008 0.000 0.311 215 W C -0.676 175.779 176.519 -0.106 0.000 1.088 215 W CA -0.812 56.460 57.345 -0.121 0.000 1.309 215 W CB 0.131 29.508 29.460 -0.137 0.000 1.229 215 W HN 0.343 nan 8.180 nan 0.000 0.427 216 V N 2.685 122.662 119.914 0.104 0.000 3.158 216 V HA 0.611 4.726 4.120 -0.008 0.000 0.315 216 V C -0.044 176.033 176.094 -0.027 0.000 1.148 216 V CA -0.886 61.391 62.300 -0.039 0.000 1.042 216 V CB 1.905 33.731 31.823 0.005 0.000 1.101 216 V HN 0.452 nan 8.190 nan 0.000 0.448 217 D N 0.252 120.635 120.400 -0.029 0.000 2.772 217 D HA -0.141 4.494 4.640 -0.008 0.000 0.233 217 D C 0.547 176.860 176.300 0.023 0.000 1.143 217 D CA 1.491 55.499 54.000 0.013 0.000 0.700 217 D CB -1.588 39.242 40.800 0.049 0.000 1.076 217 D HN 1.292 nan 8.370 nan 0.000 0.430 218 T N -2.834 111.684 114.554 -0.060 0.000 2.874 218 T HA 0.483 4.827 4.350 -0.008 0.000 0.281 218 T C 0.420 175.188 174.700 0.114 0.000 0.994 218 T CA -0.740 61.342 62.100 -0.029 0.000 1.015 218 T CB 2.108 70.773 68.868 -0.339 0.000 1.028 218 T HN 0.026 nan 8.240 nan 0.000 0.523 219 Q N 0.713 120.653 119.800 0.233 0.000 2.241 219 Q HA 0.568 4.903 4.340 -0.008 0.000 0.254 219 Q C -0.963 175.184 176.000 0.244 0.000 0.917 219 Q CA -0.884 55.088 55.803 0.281 0.000 0.919 219 Q CB 1.965 30.953 28.738 0.417 0.000 1.237 219 Q HN 0.510 nan 8.270 nan 0.000 0.434 220 V N 2.973 122.993 119.914 0.176 0.000 2.435 220 V HA 0.438 4.553 4.120 -0.008 0.000 0.290 220 V C -0.311 175.844 176.094 0.102 0.000 1.030 220 V CA -0.658 61.660 62.300 0.030 0.000 0.881 220 V CB 1.825 33.602 31.823 -0.078 0.000 0.983 220 V HN 0.489 nan 8.190 nan 0.000 0.445 221 V N 5.769 125.746 119.914 0.105 0.000 2.604 221 V HA 0.486 4.601 4.120 -0.008 0.000 0.305 221 V C -0.198 175.969 176.094 0.123 0.000 1.043 221 V CA -0.613 61.760 62.300 0.121 0.000 0.888 221 V CB 1.960 33.930 31.823 0.245 0.000 0.995 221 V HN 0.637 nan 8.190 nan 0.000 0.429 222 L N 3.519 124.806 121.223 0.107 0.000 2.375 222 L HA 0.742 5.077 4.340 -0.008 0.000 0.271 222 L C 0.451 177.486 176.870 0.275 0.000 1.107 222 L CA -0.363 54.552 54.840 0.125 0.000 0.806 222 L CB 1.348 43.462 42.059 0.092 0.000 1.146 222 L HN 0.751 nan 8.230 nan 0.000 0.447 223 A N 4.871 127.806 122.820 0.192 0.000 2.267 223 A HA 0.568 4.883 4.320 -0.008 0.000 0.315 223 A C -0.490 177.372 177.584 0.462 0.000 1.297 223 A CA -0.464 51.726 52.037 0.254 0.000 0.865 223 A CB 0.893 19.593 19.000 -0.500 0.000 1.165 223 A HN 0.784 nan 8.150 nan 0.000 0.513 224 M N 6.263 126.190 119.600 0.546 0.000 2.129 224 M HA 0.432 4.907 4.480 -0.008 0.000 0.348 224 M C -2.563 174.013 176.300 0.460 0.000 1.116 224 M CA -2.121 53.443 55.300 0.440 0.000 1.022 224 M CB 1.980 34.766 32.600 0.310 0.000 1.599 224 M HN 0.380 nan 8.290 nan 0.000 0.449 225 P HA 0.237 nan 4.420 nan 0.000 0.288 225 P C -1.958 175.261 177.300 -0.135 0.000 1.267 225 P CA -0.109 62.886 63.100 -0.175 0.000 0.815 225 P CB 0.705 32.050 31.700 -0.592 0.000 0.989 226 Y N 0.700 120.921 120.300 -0.132 0.000 2.331 226 Y HA 0.319 4.864 4.550 -0.008 0.000 0.334 226 Y C 0.216 176.086 175.900 -0.051 0.000 0.960 226 Y CA -0.256 57.828 58.100 -0.027 0.000 1.130 226 Y CB 1.399 39.879 38.460 0.033 0.000 1.164 226 Y HN 0.225 nan 8.280 nan 0.000 0.458 227 D N 1.906 122.386 120.400 0.134 0.000 2.168 227 D HA 0.426 5.061 4.640 -0.008 0.000 0.246 227 D C -0.604 175.901 176.300 0.342 0.000 1.050 227 D CA -0.210 53.908 54.000 0.196 0.000 0.857 227 D CB 1.780 42.713 40.800 0.221 0.000 1.169 227 D HN 0.370 nan 8.370 nan 0.000 0.453 228 T N 3.108 117.774 114.554 0.186 0.000 2.824 228 T HA 0.470 4.815 4.350 -0.008 0.000 0.282 228 T C -2.539 171.994 174.700 -0.277 0.000 0.993 228 T CA -1.442 60.675 62.100 0.028 0.000 0.967 228 T CB 2.117 70.999 68.868 0.024 0.000 0.960 228 T HN 0.181 nan 8.240 nan 0.000 0.441 229 P HA 0.330 nan 4.420 nan 0.000 0.275 229 P C -1.036 175.925 177.300 -0.566 0.000 1.227 229 P CA -0.402 62.012 63.100 -1.144 0.000 0.781 229 P CB 0.910 31.672 31.700 -1.564 0.000 0.906 230 V N 5.277 124.918 119.914 -0.455 0.000 2.305 230 V HA 0.264 4.379 4.120 -0.008 0.000 0.275 230 V C -2.022 173.931 176.094 -0.235 0.000 1.020 230 V CA -1.909 60.222 62.300 -0.281 0.000 0.811 230 V CB 1.414 33.119 31.823 -0.197 0.000 1.031 230 V HN 0.556 nan 8.190 nan 0.000 0.439 231 P HA 0.276 nan 4.420 nan 0.000 0.280 231 P C 0.306 177.551 177.300 -0.092 0.000 1.244 231 P CA 0.274 63.280 63.100 -0.156 0.000 0.784 231 P CB 1.785 33.390 31.700 -0.159 0.000 0.913 232 G N 2.265 111.029 108.800 -0.060 0.000 2.562 232 G HA2 0.160 4.115 3.960 -0.008 0.000 0.275 232 G HA3 0.160 4.115 3.960 -0.008 0.000 0.275 232 G C -1.207 173.702 174.900 0.014 0.000 1.196 232 G CA -0.609 44.486 45.100 -0.009 0.000 0.908 232 G HN 0.520 nan 8.290 nan 0.000 0.524 233 Y N 0.519 120.779 120.300 -0.066 0.000 2.584 233 Y HA 0.273 4.818 4.550 -0.009 0.000 0.351 233 Y C 1.238 177.100 175.900 -0.064 0.000 1.030 233 Y CA -0.217 57.839 58.100 -0.072 0.000 1.332 233 Y CB 0.154 38.569 38.460 -0.074 0.000 1.148 233 Y HN 0.704 nan 8.280 nan 0.000 0.528 234 R N 2.748 122.938 120.500 -0.516 0.000 3.610 234 R HA -0.320 4.015 4.340 -0.008 0.000 0.274 234 R C 0.030 176.197 176.300 -0.221 0.000 1.123 234 R CA 1.506 57.339 56.100 -0.444 0.000 0.747 234 R CB -1.911 27.972 30.300 -0.695 0.000 1.149 234 R HN 0.943 nan 8.270 nan 0.000 0.471 235 N N -1.324 117.297 118.700 -0.132 0.000 2.177 235 N HA 0.067 4.802 4.740 -0.008 0.000 0.218 235 N C -0.234 175.231 175.510 -0.074 0.000 1.182 235 N CA -0.346 52.657 53.050 -0.078 0.000 0.882 235 N CB 0.509 38.977 38.487 -0.032 0.000 1.052 235 N HN 0.084 nan 8.380 nan 0.000 0.519 236 N N -0.138 118.512 118.700 -0.084 0.000 2.753 236 N HA -0.135 4.600 4.740 -0.008 0.000 0.251 236 N C -0.939 174.531 175.510 -0.067 0.000 1.097 236 N CA 0.565 53.572 53.050 -0.071 0.000 0.786 236 N CB -1.259 37.186 38.487 -0.069 0.000 1.137 236 N HN 0.189 nan 8.380 nan 0.000 0.566 237 V N 1.109 120.988 119.914 -0.059 0.000 2.509 237 V HA 0.465 4.580 4.120 -0.008 0.000 0.284 237 V C 0.563 176.626 176.094 -0.051 0.000 1.047 237 V CA -0.477 61.795 62.300 -0.046 0.000 0.952 237 V CB 2.200 34.021 31.823 -0.003 0.000 0.988 237 V HN -0.040 nan 8.190 nan 0.000 0.469 238 V N 5.332 125.219 119.914 -0.044 0.000 2.462 238 V HA 0.430 4.545 4.120 -0.008 0.000 0.288 238 V C -0.150 175.924 176.094 -0.033 0.000 1.020 238 V CA -0.868 61.374 62.300 -0.097 0.000 0.857 238 V CB 1.487 33.233 31.823 -0.129 0.000 1.013 238 V HN 0.844 nan 8.190 nan 0.000 0.431 239 N N 1.931 120.583 118.700 -0.079 0.000 2.476 239 N HA 0.579 5.314 4.740 -0.008 0.000 0.287 239 N C -0.042 175.436 175.510 -0.053 0.000 1.262 239 N CA -0.292 52.734 53.050 -0.041 0.000 0.980 239 N CB 1.261 39.682 38.487 -0.109 0.000 1.163 239 N HN 0.577 nan 8.380 nan 0.000 0.592 240 T N 0.692 115.228 114.554 -0.030 0.000 2.863 240 T HA 0.436 4.781 4.350 -0.008 0.000 0.285 240 T C -0.258 174.394 174.700 -0.080 0.000 1.009 240 T CA -0.532 61.614 62.100 0.076 0.000 0.989 240 T CB 1.205 70.246 68.868 0.288 0.000 1.004 240 T HN 0.327 nan 8.240 nan 0.000 0.455 241 M N 3.596 123.115 119.600 -0.135 0.000 2.114 241 M HA 0.517 4.992 4.480 -0.008 0.000 0.332 241 M C -0.615 175.516 176.300 -0.281 0.000 1.014 241 M CA -0.752 54.373 55.300 -0.292 0.000 0.956 241 M CB 0.855 33.236 32.600 -0.366 0.000 1.551 241 M HN 0.498 nan 8.290 nan 0.000 0.427 242 R N 5.836 126.061 120.500 -0.459 0.000 2.265 242 R HA 0.619 4.954 4.340 -0.008 0.000 0.328 242 R C -1.943 174.066 176.300 -0.485 0.000 0.969 242 R CA -0.422 55.370 56.100 -0.514 0.000 0.832 242 R CB 0.880 30.706 30.300 -0.790 0.000 1.139 242 R HN 0.826 nan 8.270 nan 0.000 0.457 243 L N 5.203 126.245 121.223 -0.301 0.000 2.313 243 L HA 0.488 4.823 4.340 -0.008 0.000 0.283 243 L C -0.767 176.049 176.870 -0.089 0.000 1.013 243 L CA -0.908 53.852 54.840 -0.133 0.000 0.816 243 L CB 1.378 43.446 42.059 0.015 0.000 1.236 243 L HN 0.587 nan 8.230 nan 0.000 0.419 244 W N 1.923 123.337 121.300 0.190 0.000 2.316 244 W HA 0.472 5.127 4.660 -0.008 0.000 0.321 244 W C 0.564 177.301 176.519 0.364 0.000 1.203 244 W CA -0.173 57.307 57.345 0.226 0.000 1.214 244 W CB 1.365 30.816 29.460 -0.016 0.000 1.169 244 W HN 0.339 nan 8.180 nan 0.000 0.561 245 S N 1.740 117.849 115.700 0.682 0.000 2.500 245 S HA 0.764 5.229 4.470 -0.008 0.000 0.301 245 S C -0.504 174.431 174.600 0.558 0.000 1.092 245 S CA -0.740 57.759 58.200 0.497 0.000 1.030 245 S CB 0.643 64.073 63.200 0.383 0.000 1.031 245 S HN 0.545 nan 8.310 nan 0.000 0.483 246 A N 4.832 127.818 122.820 0.277 0.000 2.366 246 A HA 0.643 4.958 4.320 -0.008 0.000 0.272 246 A C -0.107 177.532 177.584 0.092 0.000 1.135 246 A CA -0.226 51.864 52.037 0.087 0.000 0.804 246 A CB 0.319 19.102 19.000 -0.362 0.000 1.064 246 A HN 0.645 nan 8.150 nan 0.000 0.499 247 K N 1.150 121.614 120.400 0.107 0.000 2.427 247 K HA 0.604 4.919 4.320 -0.008 0.000 0.252 247 K C -0.542 176.032 176.600 -0.043 0.000 0.931 247 K CA -0.387 55.928 56.287 0.046 0.000 0.793 247 K CB 2.200 34.763 32.500 0.105 0.000 1.211 247 K HN 0.836 nan 8.250 nan 0.000 0.426 248 A N 4.477 127.211 122.820 -0.144 0.000 2.354 248 A HA 0.504 4.819 4.320 -0.008 0.000 0.269 248 A C -2.121 175.396 177.584 -0.111 0.000 1.109 248 A CA -1.114 50.737 52.037 -0.310 0.000 0.800 248 A CB -0.160 18.487 19.000 -0.589 0.000 1.045 248 A HN 0.369 nan 8.150 nan 0.000 0.489 249 P HA 0.106 nan 4.420 nan 0.000 0.272 249 P C -0.003 177.372 177.300 0.125 0.000 1.230 249 P CA -0.424 62.718 63.100 0.070 0.000 0.788 249 P CB 0.641 32.407 31.700 0.111 0.000 0.949 250 N N 0.963 119.727 118.700 0.105 0.000 2.396 250 N HA -0.104 4.631 4.740 -0.008 0.000 0.180 250 N C 0.894 176.487 175.510 0.137 0.000 1.028 250 N CA 0.992 54.111 53.050 0.114 0.000 0.893 250 N CB -0.346 38.190 38.487 0.083 0.000 0.967 250 N HN 0.577 nan 8.380 nan 0.000 0.440 251 D N -0.560 119.922 120.400 0.137 0.000 2.340 251 D HA -0.084 4.551 4.640 -0.008 0.000 0.220 251 D C 0.278 176.658 176.300 0.133 0.000 1.039 251 D CA -0.520 53.549 54.000 0.114 0.000 0.866 251 D CB -0.799 40.051 40.800 0.083 0.000 0.913 251 D HN 0.002 nan 8.370 nan 0.000 0.523 252 F N 2.112 122.080 119.950 0.030 0.000 2.612 252 F HA 0.023 4.545 4.527 -0.008 0.000 0.389 252 F C 1.001 176.811 175.800 0.016 0.000 1.055 252 F CA 0.386 58.401 58.000 0.024 0.000 1.232 252 F CB -0.122 38.892 39.000 0.023 0.000 1.044 252 F HN -0.083 nan 8.300 nan 0.000 0.560 253 N N 2.188 120.473 118.700 -0.692 0.000 2.765 253 N HA -0.277 4.458 4.740 -0.008 0.000 0.248 253 N C -0.830 174.570 175.510 -0.185 0.000 1.063 253 N CA 1.327 54.077 53.050 -0.499 0.000 0.862 253 N CB -0.954 37.231 38.487 -0.503 0.000 1.145 253 N HN 0.513 nan 8.380 nan 0.000 0.581 262 Y N 0.708 121.008 120.300 0.000 0.000 2.097 262 Y HA -0.130 4.415 4.550 -0.008 0.000 0.282 262 Y C 2.545 178.453 175.900 0.013 0.000 1.152 262 Y CA 2.243 60.346 58.100 0.006 0.000 1.136 262 Y CB -0.022 38.443 38.460 0.007 0.000 0.975 262 Y HN 0.313 nan 8.280 nan 0.000 0.498 263 I N 0.517 121.009 120.570 -0.129 0.000 2.163 263 I HA -0.316 3.849 4.170 -0.008 0.000 0.243 263 I C 2.401 178.410 176.117 -0.180 0.000 1.085 263 I CA 1.857 63.029 61.300 -0.214 0.000 1.347 263 I CB -1.504 36.482 38.000 -0.023 0.000 1.044 263 I HN 0.342 nan 8.210 nan 0.000 0.408 264 Q N 1.043 120.788 119.800 -0.091 0.000 2.084 264 Q HA -0.114 4.221 4.340 -0.008 0.000 0.202 264 Q C 2.248 178.205 176.000 -0.072 0.000 0.978 264 Q CA 2.242 58.009 55.803 -0.060 0.000 0.844 264 Q CB -0.379 28.341 28.738 -0.031 0.000 0.898 264 Q HN 0.482 nan 8.270 nan 0.000 0.426 265 A N -0.799 121.960 122.820 -0.102 0.000 1.902 265 A HA -0.141 4.174 4.320 -0.008 0.000 0.217 265 A C 2.258 179.805 177.584 -0.061 0.000 1.181 265 A CA 1.703 53.688 52.037 -0.087 0.000 0.623 265 A CB -0.785 18.162 19.000 -0.088 0.000 0.818 265 A HN 0.268 nan 8.150 nan 0.000 0.443 266 V N 0.146 119.952 119.914 -0.180 0.000 2.358 266 V HA -0.221 3.894 4.120 -0.008 0.000 0.246 266 V C 2.524 178.593 176.094 -0.042 0.000 1.047 266 V CA 1.794 64.012 62.300 -0.137 0.000 1.035 266 V CB -0.720 30.921 31.823 -0.303 0.000 0.658 266 V HN 0.566 nan 8.190 nan 0.000 0.452 267 L N -0.235 120.955 121.223 -0.055 0.000 2.093 267 L HA -0.146 4.189 4.340 -0.008 0.000 0.208 267 L C 2.014 178.904 176.870 0.033 0.000 1.085 267 L CA 1.279 56.112 54.840 -0.013 0.000 0.755 267 L CB -0.708 41.338 42.059 -0.021 0.000 0.904 267 L HN 0.327 nan 8.230 nan 0.000 0.435 268 D N 0.096 120.532 120.400 0.061 0.000 2.378 268 D HA -0.082 4.553 4.640 -0.008 0.000 0.227 268 D C 2.082 178.537 176.300 0.258 0.000 1.012 268 D CA 0.474 54.552 54.000 0.129 0.000 0.905 268 D CB -0.030 40.833 40.800 0.105 0.000 0.895 268 D HN 0.255 nan 8.370 nan 0.000 0.532 269 R N 0.212 120.833 120.500 0.201 0.000 2.193 269 R HA -0.037 4.298 4.340 -0.008 0.000 0.229 269 R C 1.703 177.974 176.300 -0.049 0.000 1.110 269 R CA 0.729 56.870 56.100 0.069 0.000 0.988 269 R CB -0.208 30.105 30.300 0.020 0.000 0.871 269 R HN 0.339 nan 8.270 nan 0.000 0.458 270 N N 0.345 119.055 118.700 0.016 0.000 2.149 270 N HA -0.190 4.545 4.740 -0.008 0.000 0.188 270 N C 1.244 176.751 175.510 -0.005 0.000 1.019 270 N CA 0.745 53.797 53.050 0.004 0.000 0.857 270 N CB -0.099 38.402 38.487 0.024 0.000 0.997 270 N HN 0.009 nan 8.380 nan 0.000 0.426 271 L N 1.168 122.411 121.223 0.033 0.000 2.013 271 L HA -0.195 4.140 4.340 -0.008 0.000 0.212 271 L C 2.441 179.294 176.870 -0.030 0.000 1.073 271 L CA 1.652 56.516 54.840 0.040 0.000 0.753 271 L CB -1.031 41.104 42.059 0.127 0.000 0.890 271 L HN 0.180 nan 8.230 nan 0.000 0.432 272 A N -1.130 121.615 122.820 -0.124 0.000 1.929 272 A HA -0.137 4.178 4.320 -0.008 0.000 0.216 272 A C 2.094 179.557 177.584 -0.202 0.000 1.176 272 A CA 1.185 53.089 52.037 -0.221 0.000 0.628 272 A CB -0.417 18.285 19.000 -0.496 0.000 0.816 272 A HN 0.538 nan 8.150 nan 0.000 0.444 273 E N 0.182 120.284 120.200 -0.164 0.000 2.427 273 E HA -0.072 4.273 4.350 -0.008 0.000 0.196 273 E C 0.888 177.448 176.600 -0.067 0.000 1.028 273 E CA 0.189 56.523 56.400 -0.110 0.000 0.864 273 E CB -0.155 29.505 29.700 -0.066 0.000 0.813 273 E HN 0.449 nan 8.360 nan 0.000 0.514 274 N N 1.117 119.786 118.700 -0.052 0.000 2.453 274 N HA -0.076 4.659 4.740 -0.008 0.000 0.183 274 N C 1.632 177.137 175.510 -0.009 0.000 1.041 274 N CA 0.573 53.622 53.050 -0.002 0.000 0.900 274 N CB -0.031 38.460 38.487 0.007 0.000 0.961 274 N HN 0.274 nan 8.380 nan 0.000 0.443 275 I N 0.399 120.903 120.570 -0.111 0.000 2.248 275 I HA -0.247 3.918 4.170 -0.008 0.000 0.248 275 I C 1.397 177.479 176.117 -0.058 0.000 1.107 275 I CA 1.252 62.458 61.300 -0.158 0.000 1.373 275 I CB -0.193 37.540 38.000 -0.446 0.000 1.055 275 I HN 0.130 nan 8.210 nan 0.000 0.418 276 S N -0.544 115.119 115.700 -0.062 0.000 2.574 276 S HA 0.187 4.652 4.470 -0.008 0.000 0.242 276 S C 1.449 176.185 174.600 0.226 0.000 0.982 276 S CA -0.556 57.700 58.200 0.094 0.000 0.977 276 S CB 0.278 63.519 63.200 0.068 0.000 0.814 276 S HN 0.207 nan 8.310 nan 0.000 0.464 277 R N 1.284 121.916 120.500 0.221 0.000 2.062 277 R HA 0.275 4.610 4.340 -0.008 0.000 0.229 277 R C 0.427 176.981 176.300 0.423 0.000 1.128 277 R CA 1.182 57.457 56.100 0.292 0.000 0.960 277 R CB -0.231 30.202 30.300 0.222 0.000 0.855 277 R HN 0.401 nan 8.270 nan 0.000 0.432 278 V N 0.167 120.284 119.914 0.339 0.000 3.012 278 V HA 0.367 4.482 4.120 -0.008 0.000 0.307 278 V C -1.624 174.437 176.094 -0.055 0.000 1.166 278 V CA -1.380 61.048 62.300 0.214 0.000 0.974 278 V CB 1.805 33.680 31.823 0.087 0.000 1.040 278 V HN 0.154 nan 8.190 nan 0.000 0.428 279 L N 6.290 127.262 121.223 -0.418 0.000 2.367 279 L HA 0.493 4.828 4.340 -0.008 0.000 0.275 279 L C -0.899 175.807 176.870 -0.273 0.000 1.129 279 L CA 0.412 54.785 54.840 -0.778 0.000 0.839 279 L CB 0.587 42.122 42.059 -0.873 0.000 1.133 279 L HN 0.685 nan 8.230 nan 0.000 0.453 280 Y N 6.757 126.964 120.300 -0.154 0.000 2.496 280 Y HA 0.207 4.752 4.550 -0.008 0.000 0.334 280 Y C -1.383 174.510 175.900 -0.011 0.000 1.080 280 Y CA -1.309 56.779 58.100 -0.021 0.000 1.355 280 Y CB 0.410 38.884 38.460 0.024 0.000 1.193 280 Y HN 0.566 nan 8.280 nan 0.000 0.523 281 P HA -0.008 nan 4.420 nan 0.000 0.249 281 P C -0.850 176.583 177.300 0.221 0.000 1.593 281 P CA 0.217 63.422 63.100 0.174 0.000 0.896 281 P CB 0.074 31.970 31.700 0.327 0.000 1.581 282 N N 1.188 120.028 118.700 0.233 0.000 2.456 282 N HA 0.193 4.928 4.740 -0.008 0.000 0.288 282 N C -0.752 174.905 175.510 0.245 0.000 1.059 282 N CA 0.029 53.242 53.050 0.270 0.000 0.946 282 N CB 1.326 40.020 38.487 0.345 0.000 1.150 282 N HN 0.066 nan 8.380 nan 0.000 0.479 283 D N 0.589 121.159 120.400 0.283 0.000 2.408 283 D HA 0.224 4.859 4.640 -0.008 0.000 0.243 283 D C -0.310 176.198 176.300 0.347 0.000 1.075 283 D CA -0.354 53.809 54.000 0.271 0.000 0.832 283 D CB 0.370 41.325 40.800 0.259 0.000 1.162 283 D HN 0.311 nan 8.370 nan 0.000 0.515 284 N N 2.848 121.717 118.700 0.283 0.000 2.725 284 N HA -0.251 4.484 4.740 -0.008 0.000 0.251 284 N C -1.370 174.369 175.510 0.381 0.000 1.031 284 N CA 0.764 53.970 53.050 0.261 0.000 0.720 284 N CB -0.750 37.847 38.487 0.183 0.000 0.930 284 N HN 0.369 nan 8.380 nan 0.000 0.543 285 F N 0.603 120.654 119.950 0.168 0.000 2.623 285 F HA 0.411 4.932 4.527 -0.008 0.000 0.323 285 F C -1.288 174.594 175.800 0.138 0.000 1.158 285 F CA -1.120 56.957 58.000 0.129 0.000 1.030 285 F CB 0.907 39.944 39.000 0.062 0.000 1.280 285 F HN -0.016 nan 8.300 nan 0.000 0.474 286 F N 6.032 125.554 119.950 -0.714 0.000 2.410 286 F HA 0.472 4.994 4.527 -0.008 0.000 0.349 286 F C -0.449 174.893 175.800 -0.763 0.000 1.117 286 F CA -0.174 57.468 58.000 -0.597 0.000 1.104 286 F CB 0.748 39.450 39.000 -0.497 0.000 1.122 286 F HN 0.596 nan 8.300 nan 0.000 0.483 287 E N 4.473 124.016 120.200 -1.094 0.000 2.186 287 E HA 0.296 4.641 4.350 -0.008 0.000 0.255 287 E C -0.131 175.721 176.600 -1.247 0.000 0.881 287 E CA -0.750 55.109 56.400 -0.902 0.000 0.752 287 E CB 1.241 30.797 29.700 -0.240 0.000 1.176 287 E HN 0.919 nan 8.360 nan 0.000 0.421 288 G N 5.334 113.274 108.800 -1.434 0.000 3.102 288 G HA2 0.018 3.973 3.960 -0.008 0.000 0.264 288 G HA3 0.018 3.973 3.960 -0.008 0.000 0.264 288 G C -0.046 174.764 174.900 -0.150 0.000 0.788 288 G CA -0.169 44.326 45.100 -1.008 0.000 2.029 288 G HN 0.204 nan 8.290 nan 0.000 0.608 289 K N 0.505 120.892 120.400 -0.022 0.000 2.130 289 K HA 0.192 4.507 4.320 -0.008 0.000 0.268 289 K C 0.984 177.733 176.600 0.248 0.000 0.983 289 K CA -0.679 55.688 56.287 0.133 0.000 0.893 289 K CB 2.216 34.792 32.500 0.128 0.000 1.066 289 K HN 0.443 nan 8.250 nan 0.000 0.450 290 E N 1.656 121.970 120.200 0.189 0.000 2.085 290 E HA -0.227 4.118 4.350 -0.008 0.000 0.194 290 E C 1.545 178.184 176.600 0.065 0.000 0.994 290 E CA 1.143 57.607 56.400 0.108 0.000 0.801 290 E CB 0.147 29.911 29.700 0.107 0.000 0.743 290 E HN 0.403 nan 8.360 nan 0.000 0.453 291 L N 1.366 122.668 121.223 0.132 0.000 2.042 291 L HA -0.194 4.141 4.340 -0.008 0.000 0.210 291 L C 2.467 179.440 176.870 0.171 0.000 1.076 291 L CA 1.917 56.851 54.840 0.158 0.000 0.749 291 L CB -0.559 41.664 42.059 0.273 0.000 0.893 291 L HN 0.022 nan 8.230 nan 0.000 0.432 292 R N -0.615 119.941 120.500 0.092 0.000 2.096 292 R HA -0.161 4.174 4.340 -0.008 0.000 0.235 292 R C 2.105 178.452 176.300 0.079 0.000 1.127 292 R CA 1.863 57.939 56.100 -0.040 0.000 0.968 292 R CB -1.011 29.054 30.300 -0.391 0.000 0.861 292 R HN 0.423 nan 8.270 nan 0.000 0.440 293 L N 0.808 121.992 121.223 -0.065 0.000 2.093 293 L HA -0.053 4.282 4.340 -0.008 0.000 0.208 293 L C 1.687 178.507 176.870 -0.084 0.000 1.085 293 L CA 1.873 56.468 54.840 -0.409 0.000 0.755 293 L CB -0.370 41.154 42.059 -0.893 0.000 0.904 293 L HN 0.152 nan 8.230 nan 0.000 0.435 294 K N -0.987 119.413 120.400 0.000 0.000 2.057 294 K HA -0.184 4.131 4.320 -0.008 0.000 0.207 294 K C 2.071 178.843 176.600 0.286 0.000 1.049 294 K CA 1.727 58.086 56.287 0.119 0.000 0.931 294 K CB -0.176 32.205 32.500 -0.199 0.000 0.714 294 K HN 0.509 nan 8.250 nan 0.000 0.440 295 Q N 0.693 120.624 119.800 0.219 0.000 2.084 295 Q HA -0.188 4.147 4.340 -0.008 0.000 0.202 295 Q C 1.963 178.167 176.000 0.340 0.000 0.978 295 Q CA 1.430 57.419 55.803 0.311 0.000 0.844 295 Q CB -0.047 28.896 28.738 0.342 0.000 0.898 295 Q HN 0.384 nan 8.270 nan 0.000 0.426 296 E N -0.127 120.224 120.200 0.253 0.000 2.077 296 E HA -0.216 4.129 4.350 -0.008 0.000 0.193 296 E C 1.738 178.449 176.600 0.185 0.000 0.989 296 E CA 1.090 57.619 56.400 0.215 0.000 0.800 296 E CB -0.134 29.669 29.700 0.172 0.000 0.746 296 E HN 0.328 nan 8.360 nan 0.000 0.452 297 Y N 0.280 120.628 120.300 0.080 0.000 2.263 297 Y HA -0.182 4.363 4.550 -0.008 0.000 0.292 297 Y C 1.937 177.862 175.900 0.042 0.000 1.130 297 Y CA 0.894 58.988 58.100 -0.011 0.000 1.179 297 Y CB -0.328 38.084 38.460 -0.080 0.000 0.998 297 Y HN 0.010 nan 8.280 nan 0.000 0.532 298 F N -0.273 119.660 119.950 -0.030 0.000 2.065 298 F HA -0.246 4.276 4.527 -0.008 0.000 0.298 298 F C 2.477 178.121 175.800 -0.260 0.000 1.112 298 F CA 2.021 59.959 58.000 -0.103 0.000 1.212 298 F CB -1.095 38.000 39.000 0.160 0.000 0.975 298 F HN -0.060 nan 8.300 nan 0.000 0.476 299 V N -0.440 119.425 119.914 -0.082 0.000 2.343 299 V HA -0.211 3.904 4.120 -0.008 0.000 0.247 299 V C 2.211 178.146 176.094 -0.266 0.000 1.051 299 V CA 1.973 64.190 62.300 -0.138 0.000 1.036 299 V CB -0.397 31.543 31.823 0.195 0.000 0.654 299 V HN 0.262 nan 8.190 nan 0.000 0.451 300 V N 0.414 120.182 119.914 -0.244 0.000 2.307 300 V HA -0.177 3.938 4.120 -0.008 0.000 0.245 300 V C 2.800 178.627 176.094 -0.444 0.000 1.045 300 V CA 2.101 64.241 62.300 -0.266 0.000 1.024 300 V CB -1.111 30.616 31.823 -0.160 0.000 0.651 300 V HN 0.644 nan 8.190 nan 0.000 0.449 301 A N -0.073 122.308 122.820 -0.732 0.000 1.877 301 A HA -0.114 4.201 4.320 -0.008 0.000 0.216 301 A C 2.413 179.620 177.584 -0.629 0.000 1.186 301 A CA 2.155 53.760 52.037 -0.720 0.000 0.620 301 A CB -0.848 17.512 19.000 -1.066 0.000 0.822 301 A HN 0.562 nan 8.150 nan 0.000 0.443 302 A N -1.097 121.182 122.820 -0.902 0.000 1.898 302 A HA -0.066 4.249 4.320 -0.008 0.000 0.216 302 A C 2.318 179.387 177.584 -0.857 0.000 1.181 302 A CA 2.293 53.603 52.037 -1.211 0.000 0.620 302 A CB -1.283 16.315 19.000 -2.337 0.000 0.819 302 A HN 0.432 nan 8.150 nan 0.000 0.442 303 T N 0.497 114.685 114.554 -0.610 0.000 2.708 303 T HA -0.098 4.247 4.350 -0.008 0.000 0.266 303 T C 1.830 176.255 174.700 -0.458 0.000 1.037 303 T CA 1.471 63.328 62.100 -0.406 0.000 1.146 303 T CB -0.401 68.230 68.868 -0.395 0.000 0.865 303 T HN 0.341 nan 8.240 nan 0.000 0.435 304 L N 0.734 121.739 121.223 -0.364 0.000 2.083 304 L HA -0.169 4.166 4.340 -0.008 0.000 0.209 304 L C 2.909 179.667 176.870 -0.188 0.000 1.083 304 L CA 1.398 56.081 54.840 -0.262 0.000 0.752 304 L CB -0.526 41.420 42.059 -0.188 0.000 0.899 304 L HN 0.368 nan 8.230 nan 0.000 0.433 305 Q N -0.646 119.040 119.800 -0.190 0.000 2.119 305 Q HA -0.238 4.097 4.340 -0.008 0.000 0.201 305 Q C 1.760 177.736 176.000 -0.040 0.000 0.972 305 Q CA 1.611 57.356 55.803 -0.096 0.000 0.847 305 Q CB -0.101 28.568 28.738 -0.116 0.000 0.903 305 Q HN 0.395 nan 8.270 nan 0.000 0.433 306 D N 0.642 121.007 120.400 -0.058 0.000 2.117 306 D HA -0.102 4.533 4.640 -0.008 0.000 0.198 306 D C 1.684 177.941 176.300 -0.073 0.000 0.982 306 D CA 0.876 54.895 54.000 0.032 0.000 0.828 306 D CB -0.025 40.891 40.800 0.194 0.000 0.967 306 D HN 0.155 nan 8.370 nan 0.000 0.464 307 I N 0.228 120.639 120.570 -0.265 0.000 2.179 307 I HA -0.248 3.917 4.170 -0.008 0.000 0.242 307 I C 2.335 178.464 176.117 0.020 0.000 1.088 307 I CA 0.790 61.873 61.300 -0.362 0.000 1.357 307 I CB -0.168 37.462 38.000 -0.615 0.000 1.051 307 I HN 0.054 nan 8.210 nan 0.000 0.409 308 I N 0.226 120.867 120.570 0.118 0.000 2.226 308 I HA -0.294 3.871 4.170 -0.008 0.000 0.245 308 I C 2.791 179.080 176.117 0.287 0.000 1.100 308 I CA 1.145 62.635 61.300 0.316 0.000 1.374 308 I CB -0.478 37.659 38.000 0.229 0.000 1.057 308 I HN 0.230 nan 8.210 nan 0.000 0.413 309 R N 1.406 122.005 120.500 0.166 0.000 2.083 309 R HA -0.229 4.106 4.340 -0.008 0.000 0.237 309 R C 2.499 178.887 176.300 0.146 0.000 1.137 309 R CA 1.819 58.007 56.100 0.146 0.000 0.951 309 R CB -0.284 30.093 30.300 0.127 0.000 0.851 309 R HN 0.220 nan 8.270 nan 0.000 0.434 310 R N -0.563 120.019 120.500 0.137 0.000 2.096 310 R HA -0.169 4.166 4.340 -0.008 0.000 0.235 310 R C 2.183 178.589 176.300 0.177 0.000 1.127 310 R CA 1.678 57.859 56.100 0.136 0.000 0.968 310 R CB -0.407 29.955 30.300 0.103 0.000 0.861 310 R HN 0.290 nan 8.270 nan 0.000 0.440 311 F N 1.574 121.570 119.950 0.076 0.000 2.102 311 F HA -0.123 4.399 4.527 -0.008 0.000 0.298 311 F C 1.703 177.524 175.800 0.035 0.000 1.105 311 F CA 1.604 59.642 58.000 0.063 0.000 1.239 311 F CB -0.056 39.034 39.000 0.150 0.000 0.991 311 F HN -0.119 nan 8.300 nan 0.000 0.474 312 K N -0.257 120.118 120.400 -0.041 0.000 2.147 312 K HA -0.048 4.267 4.320 -0.008 0.000 0.205 312 K C 1.176 177.694 176.600 -0.137 0.000 1.049 312 K CA 1.318 57.500 56.287 -0.175 0.000 0.936 312 K CB -0.319 32.189 32.500 0.012 0.000 0.722 312 K HN 0.137 nan 8.250 nan 0.000 0.446 313 S N 1.289 116.974 115.700 -0.025 0.000 2.699 313 S HA 0.158 4.623 4.470 -0.008 0.000 0.251 313 S C -0.240 174.406 174.600 0.076 0.000 1.179 313 S CA -0.424 57.803 58.200 0.043 0.000 1.200 313 S CB 0.385 63.648 63.200 0.106 0.000 0.848 313 S HN 0.069 nan 8.310 nan 0.000 0.472 325 N N 0.821 119.449 118.700 -0.120 0.000 2.949 325 N HA 0.302 5.037 4.740 -0.008 0.000 0.243 325 N C -0.214 175.374 175.510 0.131 0.000 1.113 325 N CA -0.144 52.927 53.050 0.034 0.000 0.980 325 N CB 0.110 38.621 38.487 0.041 0.000 1.256 325 N HN 0.078 nan 8.380 nan 0.000 0.508 326 F N 0.893 120.986 119.950 0.237 0.000 2.748 326 F HA 0.037 4.559 4.527 -0.008 0.000 0.299 326 F C 1.452 177.322 175.800 0.116 0.000 1.154 326 F CA 0.284 58.372 58.000 0.148 0.000 1.446 326 F CB 0.230 39.198 39.000 -0.054 0.000 1.112 326 F HN 0.408 nan 8.300 nan 0.000 0.584 327 D N 0.158 120.704 120.400 0.244 0.000 2.178 327 D HA -0.111 4.524 4.640 -0.008 0.000 0.202 327 D C 2.140 178.533 176.300 0.155 0.000 0.974 327 D CA 1.203 55.300 54.000 0.162 0.000 0.841 327 D CB -0.109 40.763 40.800 0.119 0.000 0.953 327 D HN 0.214 nan 8.370 nan 0.000 0.478 328 A N -0.796 122.143 122.820 0.197 0.000 2.275 328 A HA 0.114 4.429 4.320 -0.008 0.000 0.212 328 A C 1.535 179.230 177.584 0.185 0.000 1.201 328 A CA -0.316 51.832 52.037 0.184 0.000 0.843 328 A CB -0.752 18.366 19.000 0.196 0.000 0.873 328 A HN 0.221 nan 8.150 nan 0.000 0.492 329 F N 1.889 121.799 119.950 -0.066 0.000 2.091 329 F HA -0.126 4.396 4.527 -0.008 0.000 0.299 329 F C -0.816 174.868 175.800 -0.193 0.000 1.103 329 F CA 2.411 60.156 58.000 -0.424 0.000 1.228 329 F CB -0.545 38.223 39.000 -0.386 0.000 0.984 329 F HN 0.199 nan 8.300 nan 0.000 0.477 330 P HA -0.105 nan 4.420 nan 0.000 0.225 330 P C 0.726 177.984 177.300 -0.071 0.000 1.148 330 P CA 1.502 64.577 63.100 -0.043 0.000 0.779 330 P CB -0.050 31.652 31.700 0.003 0.000 0.780 331 D N -0.961 119.418 120.400 -0.035 0.000 2.323 331 D HA -0.020 4.615 4.640 -0.008 0.000 0.209 331 D C 1.459 177.746 176.300 -0.023 0.000 0.973 331 D CA 0.895 54.888 54.000 -0.012 0.000 0.874 331 D CB 0.135 40.950 40.800 0.025 0.000 0.930 331 D HN 0.145 nan 8.370 nan 0.000 0.521 332 K N 0.149 120.513 120.400 -0.061 0.000 2.402 332 K HA 0.216 4.531 4.320 -0.008 0.000 0.203 332 K C -0.092 176.419 176.600 -0.148 0.000 1.077 332 K CA 0.038 56.301 56.287 -0.039 0.000 1.051 332 K CB 2.356 34.940 32.500 0.140 0.000 0.907 332 K HN -0.061 nan 8.250 nan 0.000 0.554 333 V N 0.826 120.557 119.914 -0.304 0.000 2.760 333 V HA 0.651 4.766 4.120 -0.008 0.000 0.309 333 V C -1.155 174.841 176.094 -0.165 0.000 1.077 333 V CA -1.273 60.841 62.300 -0.309 0.000 0.910 333 V CB 1.913 33.237 31.823 -0.831 0.000 1.008 333 V HN 0.103 nan 8.190 nan 0.000 0.424 334 A N 5.495 128.277 122.820 -0.062 0.000 2.359 334 A HA 0.920 5.235 4.320 -0.008 0.000 0.303 334 A C -1.077 176.528 177.584 0.035 0.000 1.066 334 A CA -0.431 51.601 52.037 -0.007 0.000 0.730 334 A CB 1.075 20.019 19.000 -0.092 0.000 1.211 334 A HN 0.759 nan 8.150 nan 0.000 0.439 335 I N 1.880 122.520 120.570 0.116 0.000 2.382 335 I HA 0.317 4.482 4.170 -0.008 0.000 0.286 335 I C -0.361 175.849 176.117 0.156 0.000 1.002 335 I CA -0.587 60.794 61.300 0.136 0.000 1.135 335 I CB 1.992 40.056 38.000 0.108 0.000 1.288 335 I HN 0.700 nan 8.210 nan 0.000 0.448 336 Q N 6.821 126.711 119.800 0.150 0.000 2.314 336 Q HA 0.508 4.843 4.340 -0.008 0.000 0.259 336 Q C -1.347 174.659 176.000 0.010 0.000 0.951 336 Q CA -0.272 55.649 55.803 0.196 0.000 0.909 336 Q CB 1.351 30.316 28.738 0.377 0.000 1.236 336 Q HN 0.568 nan 8.270 nan 0.000 0.444 337 L N 3.774 125.041 121.223 0.074 0.000 2.260 337 L HA 0.396 4.731 4.340 -0.008 0.000 0.289 337 L C 0.077 176.979 176.870 0.053 0.000 1.057 337 L CA -0.739 54.135 54.840 0.057 0.000 0.811 337 L CB 0.666 42.808 42.059 0.138 0.000 1.184 337 L HN 0.571 nan 8.230 nan 0.000 0.429 338 N N 3.557 122.209 118.700 -0.081 0.000 2.508 338 N HA 0.101 4.836 4.740 -0.008 0.000 0.253 338 N C -0.208 175.328 175.510 0.043 0.000 1.145 338 N CA 0.461 53.512 53.050 0.002 0.000 0.973 338 N CB -0.106 38.286 38.487 -0.158 0.000 1.305 338 N HN 0.705 nan 8.380 nan 0.000 0.506 339 D N -0.550 119.977 120.400 0.213 0.000 3.876 339 D HA -0.248 4.387 4.640 -0.008 0.000 0.275 339 D C 0.441 176.865 176.300 0.206 0.000 2.055 339 D CA 1.881 56.005 54.000 0.206 0.000 1.173 339 D CB -0.493 40.190 40.800 -0.194 0.000 0.929 339 D HN 0.480 nan 8.370 nan 0.000 1.134 340 T N -3.133 111.481 114.554 0.100 0.000 3.129 340 T HA 0.101 4.446 4.350 -0.008 0.000 0.251 340 T C 1.496 176.294 174.700 0.164 0.000 1.117 340 T CA 1.415 63.548 62.100 0.056 0.000 1.034 340 T CB -0.492 68.372 68.868 -0.006 0.000 0.968 340 T HN 0.520 nan 8.240 nan 0.000 0.526 341 H N 2.655 121.816 119.070 0.152 0.000 2.357 341 H HA -0.029 4.522 4.556 -0.008 0.000 0.296 341 H C -0.758 174.660 175.328 0.151 0.000 1.108 341 H CA 1.191 57.344 56.048 0.174 0.000 1.273 341 H CB -0.776 29.089 29.762 0.171 0.000 1.367 341 H HN 0.454 nan 8.280 nan 0.000 0.498 342 P HA 0.087 nan 4.420 nan 0.000 0.266 342 P C 0.779 178.127 177.300 0.079 0.000 1.561 342 P CA 0.398 63.581 63.100 0.140 0.000 1.089 342 P CB 0.481 32.254 31.700 0.121 0.000 1.534 343 S N 0.058 115.798 115.700 0.068 0.000 2.440 343 S HA -0.138 4.327 4.470 -0.008 0.000 0.238 343 S C 1.782 176.386 174.600 0.007 0.000 1.010 343 S CA 0.816 59.015 58.200 -0.001 0.000 0.972 343 S CB -1.499 61.677 63.200 -0.041 0.000 0.774 343 S HN 0.156 nan 8.310 nan 0.000 0.501 344 L N 0.905 122.146 121.223 0.031 0.000 2.549 344 L HA 0.053 4.388 4.340 -0.008 0.000 0.229 344 L C 2.864 179.770 176.870 0.061 0.000 1.158 344 L CA 0.569 55.430 54.840 0.035 0.000 0.842 344 L CB -0.722 41.357 42.059 0.034 0.000 0.952 344 L HN 0.479 nan 8.230 nan 0.000 0.452 345 A N 0.480 123.316 122.820 0.028 0.000 1.972 345 A HA -0.164 4.151 4.320 -0.008 0.000 0.219 345 A C 2.182 179.768 177.584 0.003 0.000 1.169 345 A CA 1.292 53.331 52.037 0.004 0.000 0.635 345 A CB -0.384 18.610 19.000 -0.009 0.000 0.810 345 A HN 0.362 nan 8.150 nan 0.000 0.446 346 I N 0.334 120.906 120.570 0.004 0.000 2.113 346 I HA -0.146 4.019 4.170 -0.008 0.000 0.238 346 I C -0.331 175.804 176.117 0.029 0.000 1.070 346 I CA 1.561 62.860 61.300 -0.002 0.000 1.332 346 I CB -0.995 37.007 38.000 0.003 0.000 1.044 346 I HN 0.254 nan 8.210 nan 0.000 0.402 347 P HA -0.156 nan 4.420 nan 0.000 0.222 347 P C 1.252 178.575 177.300 0.037 0.000 1.153 347 P CA 1.436 64.571 63.100 0.059 0.000 0.798 347 P CB 0.053 31.809 31.700 0.094 0.000 0.796 348 E N 0.396 120.688 120.200 0.153 0.000 2.106 348 E HA -0.146 4.199 4.350 -0.008 0.000 0.192 348 E C 1.922 178.514 176.600 -0.013 0.000 0.984 348 E CA 0.658 57.168 56.400 0.183 0.000 0.806 348 E CB -1.199 28.652 29.700 0.252 0.000 0.750 348 E HN 0.008 nan 8.360 nan 0.000 0.458 349 L N -0.076 121.108 121.223 -0.064 0.000 2.056 349 L HA -0.069 4.266 4.340 -0.008 0.000 0.207 349 L C 2.060 178.794 176.870 -0.226 0.000 1.078 349 L CA 1.696 56.441 54.840 -0.159 0.000 0.749 349 L CB -0.519 41.449 42.059 -0.153 0.000 0.901 349 L HN 0.222 nan 8.230 nan 0.000 0.433 350 M N -0.761 118.719 119.600 -0.200 0.000 2.117 350 M HA -0.198 4.277 4.480 -0.008 0.000 0.262 350 M C 2.430 178.564 176.300 -0.277 0.000 1.065 350 M CA 1.509 56.635 55.300 -0.290 0.000 1.114 350 M CB -1.163 31.249 32.600 -0.312 0.000 1.361 350 M HN 0.339 nan 8.290 nan 0.000 0.408 351 R N 0.054 120.417 120.500 -0.228 0.000 2.083 351 R HA -0.132 4.203 4.340 -0.008 0.000 0.237 351 R C 2.057 178.254 176.300 -0.172 0.000 1.137 351 R CA 1.691 57.660 56.100 -0.219 0.000 0.951 351 R CB -0.198 29.918 30.300 -0.306 0.000 0.851 351 R HN 0.201 nan 8.270 nan 0.000 0.434 352 V N 1.520 121.333 119.914 -0.168 0.000 2.295 352 V HA -0.259 3.856 4.120 -0.008 0.000 0.246 352 V C 2.429 178.366 176.094 -0.262 0.000 1.049 352 V CA 1.774 63.971 62.300 -0.173 0.000 1.024 352 V CB -0.428 31.291 31.823 -0.172 0.000 0.648 352 V HN 0.346 nan 8.190 nan 0.000 0.447 353 L N -0.603 120.401 121.223 -0.365 0.000 2.046 353 L HA -0.131 4.204 4.340 -0.008 0.000 0.208 353 L C 2.407 179.096 176.870 -0.302 0.000 1.077 353 L CA 1.161 55.720 54.840 -0.468 0.000 0.747 353 L CB -0.658 41.082 42.059 -0.532 0.000 0.896 353 L HN 0.211 nan 8.230 nan 0.000 0.432 354 V N -0.465 119.311 119.914 -0.230 0.000 2.273 354 V HA -0.192 3.923 4.120 -0.008 0.000 0.242 354 V C 2.019 178.071 176.094 -0.071 0.000 1.035 354 V CA 1.741 63.967 62.300 -0.123 0.000 1.013 354 V CB -0.401 31.375 31.823 -0.078 0.000 0.652 354 V HN 0.345 nan 8.190 nan 0.000 0.452 355 D N 0.061 120.416 120.400 -0.075 0.000 2.123 355 D HA -0.036 4.599 4.640 -0.008 0.000 0.200 355 D C 2.055 178.330 176.300 -0.041 0.000 0.976 355 D CA 1.232 55.207 54.000 -0.043 0.000 0.831 355 D CB -0.015 40.758 40.800 -0.045 0.000 0.974 355 D HN 0.328 nan 8.370 nan 0.000 0.469 356 L N 0.188 121.371 121.223 -0.066 0.000 2.286 356 L HA 0.096 4.431 4.340 -0.008 0.000 0.203 356 L C 1.897 178.738 176.870 -0.049 0.000 1.068 356 L CA 0.550 55.361 54.840 -0.048 0.000 0.811 356 L CB -0.025 42.007 42.059 -0.045 0.000 0.989 356 L HN -0.177 nan 8.230 nan 0.000 0.467 357 E N 0.326 120.461 120.200 -0.108 0.000 2.442 357 E HA 0.017 4.362 4.350 -0.008 0.000 0.195 357 E C 0.143 176.707 176.600 -0.060 0.000 1.030 357 E CA -0.012 56.331 56.400 -0.095 0.000 0.869 357 E CB 0.288 29.810 29.700 -0.297 0.000 0.857 357 E HN 0.183 nan 8.360 nan 0.000 0.505 358 R N -0.288 120.172 120.500 -0.066 0.000 3.656 358 R HA -0.183 4.152 4.340 -0.008 0.000 0.297 358 R C -0.417 175.868 176.300 -0.025 0.000 1.166 358 R CA 0.236 56.320 56.100 -0.027 0.000 0.799 358 R CB -2.813 27.490 30.300 0.004 0.000 1.285 358 R HN 0.078 nan 8.270 nan 0.000 0.477 359 L N 2.016 123.194 121.223 -0.074 0.000 2.418 359 L HA 0.188 4.523 4.340 -0.008 0.000 0.265 359 L C 1.418 178.279 176.870 -0.014 0.000 1.143 359 L CA 0.080 54.887 54.840 -0.055 0.000 0.809 359 L CB 0.444 42.423 42.059 -0.133 0.000 1.124 359 L HN 0.132 nan 8.230 nan 0.000 0.456 360 D N 0.665 121.082 120.400 0.028 0.000 2.362 360 D HA -0.138 4.497 4.640 -0.008 0.000 0.242 360 D C 0.942 177.307 176.300 0.110 0.000 1.132 360 D CA -0.499 53.552 54.000 0.085 0.000 0.907 360 D CB 0.731 41.587 40.800 0.092 0.000 1.195 360 D HN 0.602 nan 8.370 nan 0.000 0.429 361 W N 2.122 123.424 121.300 0.004 0.000 2.315 361 W HA -0.239 4.416 4.660 -0.008 0.000 0.323 361 W C 1.187 177.749 176.519 0.073 0.000 1.233 361 W CA 1.991 59.346 57.345 0.016 0.000 1.267 361 W CB -0.365 29.084 29.460 -0.018 0.000 1.160 361 W HN 0.482 nan 8.180 nan 0.000 0.474 362 D N 0.313 120.926 120.400 0.354 0.000 2.158 362 D HA -0.222 4.413 4.640 -0.008 0.000 0.197 362 D C 1.851 178.255 176.300 0.173 0.000 0.995 362 D CA 2.018 56.193 54.000 0.291 0.000 0.846 362 D CB -0.335 40.605 40.800 0.234 0.000 0.941 362 D HN 0.124 nan 8.370 nan 0.000 0.456 363 K N 1.377 121.835 120.400 0.097 0.000 2.031 363 K HA 0.006 4.321 4.320 -0.008 0.000 0.205 363 K C 1.893 178.483 176.600 -0.018 0.000 1.049 363 K CA 1.409 57.724 56.287 0.048 0.000 0.939 363 K CB -0.536 31.986 32.500 0.037 0.000 0.717 363 K HN -0.014 nan 8.250 nan 0.000 0.438 364 A N 0.657 123.422 122.820 -0.093 0.000 1.908 364 A HA -0.185 4.130 4.320 -0.008 0.000 0.218 364 A C 2.257 179.743 177.584 -0.164 0.000 1.181 364 A CA 1.507 53.420 52.037 -0.207 0.000 0.627 364 A CB -1.234 17.572 19.000 -0.324 0.000 0.818 364 A HN 0.699 nan 8.150 nan 0.000 0.445 365 W N 0.626 121.711 121.300 -0.358 0.000 2.363 365 W HA -0.159 4.496 4.660 -0.008 0.000 0.296 365 W C 1.962 178.421 176.519 -0.099 0.000 1.212 365 W CA 1.775 58.962 57.345 -0.262 0.000 1.260 365 W CB -0.087 29.259 29.460 -0.189 0.000 1.131 365 W HN 0.603 nan 8.180 nan 0.000 0.530 366 E N 0.089 120.281 120.200 -0.014 0.000 2.051 366 E HA -0.225 4.120 4.350 -0.008 0.000 0.192 366 E C 2.057 178.579 176.600 -0.131 0.000 0.991 366 E CA 1.922 58.280 56.400 -0.070 0.000 0.799 366 E CB -0.294 29.421 29.700 0.025 0.000 0.748 366 E HN 0.060 nan 8.360 nan 0.000 0.449 367 V N 0.709 120.562 119.914 -0.102 0.000 2.295 367 V HA -0.261 3.854 4.120 -0.008 0.000 0.246 367 V C 2.408 178.437 176.094 -0.108 0.000 1.049 367 V CA 2.190 64.448 62.300 -0.070 0.000 1.024 367 V CB -0.805 30.967 31.823 -0.085 0.000 0.648 367 V HN 0.370 nan 8.190 nan 0.000 0.447 368 T N 0.109 114.527 114.554 -0.226 0.000 2.652 368 T HA -0.187 4.158 4.350 -0.008 0.000 0.267 368 T C 1.956 176.479 174.700 -0.295 0.000 1.039 368 T CA 1.812 63.755 62.100 -0.262 0.000 1.153 368 T CB -0.317 68.340 68.868 -0.353 0.000 0.863 368 T HN 0.275 nan 8.240 nan 0.000 0.428 369 V N 1.491 121.109 119.914 -0.494 0.000 2.332 369 V HA -0.187 3.928 4.120 -0.008 0.000 0.248 369 V C 2.335 178.383 176.094 -0.077 0.000 1.055 369 V CA 1.666 63.735 62.300 -0.385 0.000 1.038 369 V CB -0.508 31.012 31.823 -0.505 0.000 0.651 369 V HN 0.489 nan 8.190 nan 0.000 0.450 370 K N -0.542 119.796 120.400 -0.104 0.000 2.365 370 K HA -0.073 4.242 4.320 -0.008 0.000 0.199 370 K C 2.054 178.619 176.600 -0.057 0.000 1.045 370 K CA 1.455 57.659 56.287 -0.137 0.000 0.962 370 K CB -0.184 32.238 32.500 -0.129 0.000 0.759 370 K HN 0.466 nan 8.250 nan 0.000 0.469 371 T N 0.226 114.811 114.554 0.052 0.000 2.976 371 T HA 0.029 4.374 4.350 -0.008 0.000 0.257 371 T C 0.907 175.719 174.700 0.186 0.000 1.051 371 T CA 0.343 62.511 62.100 0.114 0.000 1.141 371 T CB 0.117 69.087 68.868 0.170 0.000 0.881 371 T HN 0.170 nan 8.240 nan 0.000 0.461 372 C N 2.445 121.836 119.300 0.152 0.000 2.401 372 C HA 0.875 5.330 4.460 -0.008 0.000 0.365 372 C C 0.593 175.639 174.990 0.094 0.000 1.250 372 C CA -1.262 57.827 59.018 0.117 0.000 2.131 372 C CB 0.040 27.788 27.740 0.012 0.000 2.445 372 C HN 0.584 nan 8.230 nan 0.000 0.550 373 A N 2.087 124.956 122.820 0.083 0.000 2.449 373 A HA 0.754 5.069 4.320 -0.008 0.000 0.302 373 A C -1.503 176.154 177.584 0.123 0.000 1.048 373 A CA -0.418 51.614 52.037 -0.010 0.000 0.708 373 A CB 1.022 20.049 19.000 0.045 0.000 1.274 373 A HN 0.948 nan 8.150 nan 0.000 0.410 374 Y N 1.144 121.394 120.300 -0.084 0.000 2.376 374 Y HA 0.655 5.200 4.550 -0.008 0.000 0.340 374 Y C -0.527 175.360 175.900 -0.021 0.000 0.965 374 Y CA -0.314 57.754 58.100 -0.052 0.000 1.078 374 Y CB 2.087 40.476 38.460 -0.118 0.000 1.193 374 Y HN 0.563 nan 8.280 nan 0.000 0.452 375 T N 6.558 120.893 114.554 -0.365 0.000 2.770 375 T HA 0.197 4.542 4.350 -0.008 0.000 0.283 375 T C -0.857 173.359 174.700 -0.806 0.000 0.988 375 T CA -0.819 60.996 62.100 -0.476 0.000 0.957 375 T CB 0.464 69.286 68.868 -0.077 0.000 0.930 375 T HN 0.658 nan 8.240 nan 0.000 0.443 376 N N 1.791 120.024 118.700 -0.779 0.000 2.456 376 N HA 0.140 4.875 4.740 -0.008 0.000 0.288 376 N C -0.047 175.312 175.510 -0.252 0.000 1.059 376 N CA -0.337 52.485 53.050 -0.379 0.000 0.946 376 N CB 0.792 39.240 38.487 -0.064 0.000 1.150 376 N HN 0.673 nan 8.380 nan 0.000 0.479 377 H N 1.011 120.109 119.070 0.048 0.000 2.923 377 H HA 0.183 4.734 4.556 -0.009 0.000 0.268 377 H C -0.246 175.000 175.328 -0.137 0.000 1.148 377 H CA -0.075 55.950 56.048 -0.039 0.000 1.146 377 H CB 1.092 30.834 29.762 -0.032 0.000 1.607 377 H HN 0.518 nan 8.280 nan 0.000 0.566 378 T N 0.264 114.840 114.554 0.036 0.000 2.827 378 T HA 0.243 4.588 4.350 -0.008 0.000 0.328 378 T C 0.277 174.992 174.700 0.025 0.000 1.598 378 T CA -0.322 61.750 62.100 -0.046 0.000 1.043 378 T CB 1.321 70.169 68.868 -0.033 0.000 1.447 378 T HN -0.032 nan 8.240 nan 0.000 0.491 379 V N 1.313 121.201 119.914 -0.043 0.000 3.432 379 V HA 0.564 4.679 4.120 -0.008 0.000 0.298 379 V C 0.580 176.635 176.094 -0.066 0.000 1.464 379 V CA -0.096 62.170 62.300 -0.057 0.000 1.046 379 V CB -0.329 31.464 31.823 -0.051 0.000 0.887 379 V HN 0.688 nan 8.190 nan 0.000 0.441 380 L N 3.249 124.423 121.223 -0.081 0.000 2.462 380 L HA 0.226 4.561 4.340 -0.008 0.000 0.272 380 L C -0.481 176.391 176.870 0.004 0.000 1.166 380 L CA -0.992 53.827 54.840 -0.035 0.000 0.880 380 L CB 0.908 42.930 42.059 -0.061 0.000 1.142 380 L HN 0.120 nan 8.230 nan 0.000 0.473 381 P HA -0.214 nan 4.420 nan 0.000 0.216 381 P C 0.891 178.203 177.300 0.020 0.000 1.150 381 P CA 1.293 64.402 63.100 0.015 0.000 0.837 381 P CB 0.059 31.773 31.700 0.023 0.000 0.786 382 E N 0.308 120.550 120.200 0.070 0.000 2.478 382 E HA -0.047 4.298 4.350 -0.008 0.000 0.198 382 E C 1.612 178.206 176.600 -0.009 0.000 1.046 382 E CA 1.039 57.474 56.400 0.059 0.000 0.870 382 E CB -0.669 29.172 29.700 0.234 0.000 0.818 382 E HN 0.220 nan 8.360 nan 0.000 0.527 383 A N 0.701 123.544 122.820 0.039 0.000 2.169 383 A HA 0.213 4.528 4.320 -0.008 0.000 0.210 383 A C 0.892 178.472 177.584 -0.006 0.000 1.168 383 A CA -0.295 51.774 52.037 0.053 0.000 0.813 383 A CB 0.067 19.120 19.000 0.089 0.000 0.861 383 A HN 0.120 nan 8.150 nan 0.000 0.481 384 L N 1.715 122.894 121.223 -0.073 0.000 2.410 384 L HA 0.148 4.483 4.340 -0.008 0.000 0.273 384 L C 0.279 176.839 176.870 -0.516 0.000 1.152 384 L CA 0.346 55.081 54.840 -0.175 0.000 0.855 384 L CB 0.248 42.239 42.059 -0.114 0.000 1.129 384 L HN 0.288 nan 8.230 nan 0.000 0.463 385 E N 4.600 124.393 120.200 -0.679 0.000 2.217 385 E HA 0.230 4.575 4.350 -0.008 0.000 0.279 385 E C -0.396 175.581 176.600 -1.038 0.000 1.068 385 E CA -0.136 55.407 56.400 -1.427 0.000 0.882 385 E CB 0.511 29.708 29.700 -0.840 0.000 1.039 385 E HN 0.336 nan 8.360 nan 0.000 0.418 386 R N 3.748 123.520 120.500 -1.214 0.000 2.487 386 R HA 0.189 4.524 4.340 -0.008 0.000 0.288 386 R C -1.243 174.884 176.300 -0.289 0.000 1.394 386 R CA -0.558 55.254 56.100 -0.480 0.000 1.155 386 R CB 0.769 30.913 30.300 -0.259 0.000 1.156 386 R HN 0.443 nan 8.270 nan 0.000 0.553 387 W N 4.165 125.409 121.300 -0.092 0.000 2.287 387 W HA 0.264 4.919 4.660 -0.008 0.000 0.313 387 W C -1.914 174.573 176.519 -0.053 0.000 1.267 387 W CA -2.101 55.250 57.345 0.009 0.000 1.201 387 W CB 0.613 30.058 29.460 -0.026 0.000 1.196 387 W HN 0.234 nan 8.180 nan 0.000 0.536 388 P HA -0.080 nan 4.420 nan 0.000 0.264 388 P C 0.782 178.002 177.300 -0.133 0.000 1.193 388 P CA 0.197 63.250 63.100 -0.078 0.000 0.763 388 P CB 0.761 32.241 31.700 -0.367 0.000 0.810 389 V N 3.292 123.183 119.914 -0.039 0.000 2.392 389 V HA -0.284 3.831 4.120 -0.008 0.000 0.249 389 V C 2.098 178.196 176.094 0.007 0.000 1.059 389 V CA 2.488 64.792 62.300 0.008 0.000 1.051 389 V CB -1.722 30.169 31.823 0.114 0.000 0.658 389 V HN 0.757 nan 8.190 nan 0.000 0.455 390 H N -0.978 118.152 119.070 0.101 0.000 2.456 390 H HA -0.099 4.452 4.556 -0.008 0.000 0.296 390 H C 2.011 177.391 175.328 0.087 0.000 1.079 390 H CA 1.662 57.765 56.048 0.092 0.000 1.322 390 H CB -0.570 29.246 29.762 0.091 0.000 1.388 390 H HN 0.365 nan 8.280 nan 0.000 0.538 391 L N -0.084 121.025 121.223 -0.190 0.000 2.023 391 L HA -0.070 4.265 4.340 -0.008 0.000 0.205 391 L C 2.369 179.209 176.870 -0.049 0.000 1.073 391 L CA 0.985 55.805 54.840 -0.034 0.000 0.745 391 L CB -0.224 41.799 42.059 -0.060 0.000 0.900 391 L HN 0.317 nan 8.230 nan 0.000 0.435 392 L N -0.582 120.579 121.223 -0.104 0.000 2.083 392 L HA -0.243 4.092 4.340 -0.008 0.000 0.209 392 L C 2.490 179.302 176.870 -0.096 0.000 1.083 392 L CA 1.164 55.911 54.840 -0.154 0.000 0.752 392 L CB -0.482 41.472 42.059 -0.175 0.000 0.899 392 L HN 0.343 nan 8.230 nan 0.000 0.433 393 E N -0.284 119.903 120.200 -0.022 0.000 2.085 393 E HA -0.223 4.122 4.350 -0.008 0.000 0.194 393 E C 1.933 178.574 176.600 0.068 0.000 0.994 393 E CA 1.977 58.396 56.400 0.032 0.000 0.801 393 E CB 0.131 29.890 29.700 0.097 0.000 0.743 393 E HN 0.433 nan 8.360 nan 0.000 0.453 394 T N 0.703 115.322 114.554 0.109 0.000 2.894 394 T HA -0.068 4.277 4.350 -0.008 0.000 0.258 394 T C 1.710 176.532 174.700 0.203 0.000 1.043 394 T CA 0.637 62.852 62.100 0.191 0.000 1.141 394 T CB -0.110 68.903 68.868 0.243 0.000 0.873 394 T HN 0.063 nan 8.240 nan 0.000 0.449 395 L N 0.186 121.432 121.223 0.038 0.000 2.095 395 L HA 0.329 4.664 4.340 -0.008 0.000 0.204 395 L C 0.421 177.229 176.870 -0.104 0.000 1.080 395 L CA 1.642 56.386 54.840 -0.159 0.000 0.759 395 L CB -0.029 41.900 42.059 -0.216 0.000 0.914 395 L HN 0.176 nan 8.230 nan 0.000 0.439 396 L N 0.859 121.977 121.223 -0.176 0.000 2.594 396 L HA 0.290 4.625 4.340 -0.008 0.000 0.245 396 L C -1.627 175.055 176.870 -0.314 0.000 1.460 396 L CA -1.002 53.639 54.840 -0.333 0.000 0.865 396 L CB 0.868 42.571 42.059 -0.593 0.000 1.131 396 L HN -0.040 nan 8.230 nan 0.000 0.506 397 P HA -0.240 nan 4.420 nan 0.000 0.216 397 P C 1.468 178.575 177.300 -0.322 0.000 1.153 397 P CA 1.355 64.333 63.100 -0.204 0.000 0.858 397 P CB 0.386 32.042 31.700 -0.074 0.000 0.789 398 R N -0.371 119.752 120.500 -0.628 0.000 2.075 398 R HA -0.142 4.193 4.340 -0.008 0.000 0.232 398 R C 2.395 178.398 176.300 -0.495 0.000 1.126 398 R CA 1.581 57.328 56.100 -0.588 0.000 0.963 398 R CB -1.433 28.353 30.300 -0.857 0.000 0.858 398 R HN 0.229 nan 8.270 nan 0.000 0.435 399 H N -0.198 118.558 119.070 -0.522 0.000 2.387 399 H HA -0.062 4.489 4.556 -0.008 0.000 0.299 399 H C 1.785 176.940 175.328 -0.288 0.000 1.090 399 H CA 1.629 57.458 56.048 -0.366 0.000 1.332 399 H CB -0.098 29.411 29.762 -0.422 0.000 1.386 399 H HN 0.107 nan 8.280 nan 0.000 0.516 400 L N 0.544 121.643 121.223 -0.207 0.000 2.046 400 L HA -0.240 4.095 4.340 -0.008 0.000 0.208 400 L C 1.838 178.513 176.870 -0.325 0.000 1.077 400 L CA 1.618 56.268 54.840 -0.318 0.000 0.747 400 L CB -0.292 41.601 42.059 -0.277 0.000 0.896 400 L HN 0.455 nan 8.230 nan 0.000 0.432 401 Q N -0.269 119.455 119.800 -0.126 0.000 2.084 401 Q HA -0.236 4.099 4.340 -0.008 0.000 0.202 401 Q C 2.166 178.187 176.000 0.036 0.000 0.978 401 Q CA 1.628 57.453 55.803 0.037 0.000 0.844 401 Q CB -0.121 28.643 28.738 0.042 0.000 0.898 401 Q HN 0.562 nan 8.270 nan 0.000 0.426 402 I N 0.533 121.099 120.570 -0.006 0.000 2.286 402 I HA -0.266 3.899 4.170 -0.008 0.000 0.248 402 I C 2.187 178.377 176.117 0.122 0.000 1.115 402 I CA 1.040 62.416 61.300 0.127 0.000 1.392 402 I CB -0.168 37.854 38.000 0.037 0.000 1.065 402 I HN 0.203 nan 8.210 nan 0.000 0.418 403 I N -0.469 120.088 120.570 -0.021 0.000 2.315 403 I HA -0.306 3.859 4.170 -0.008 0.000 0.248 403 I C 2.400 178.524 176.117 0.011 0.000 1.117 403 I CA 1.391 62.666 61.300 -0.043 0.000 1.404 403 I CB -0.360 37.541 38.000 -0.164 0.000 1.071 403 I HN 0.152 nan 8.210 nan 0.000 0.419 404 Y N 0.871 121.176 120.300 0.007 0.000 2.181 404 Y HA -0.266 4.279 4.550 -0.008 0.000 0.288 404 Y C 2.597 178.462 175.900 -0.059 0.000 1.146 404 Y CA 1.509 59.599 58.100 -0.016 0.000 1.164 404 Y CB -0.767 37.676 38.460 -0.028 0.000 0.982 404 Y HN 0.186 nan 8.280 nan 0.000 0.515 405 E N 0.454 120.691 120.200 0.062 0.000 2.110 405 E HA -0.149 4.196 4.350 -0.008 0.000 0.193 405 E C 2.022 178.529 176.600 -0.155 0.000 0.988 405 E CA 1.327 57.617 56.400 -0.183 0.000 0.804 405 E CB -0.547 28.869 29.700 -0.473 0.000 0.745 405 E HN 0.486 nan 8.360 nan 0.000 0.458 406 I N 0.557 121.141 120.570 0.023 0.000 2.226 406 I HA -0.261 3.904 4.170 -0.008 0.000 0.245 406 I C 2.264 178.383 176.117 0.004 0.000 1.100 406 I CA 1.344 62.619 61.300 -0.042 0.000 1.374 406 I CB -0.385 37.604 38.000 -0.019 0.000 1.057 406 I HN 0.211 nan 8.210 nan 0.000 0.413 407 N N 0.749 119.499 118.700 0.084 0.000 2.120 407 N HA -0.238 4.497 4.740 -0.008 0.000 0.188 407 N C 1.882 177.476 175.510 0.141 0.000 1.024 407 N CA 1.521 54.672 53.050 0.168 0.000 0.852 407 N CB -0.068 38.535 38.487 0.192 0.000 1.003 407 N HN 0.264 nan 8.380 nan 0.000 0.424 408 Q N -0.231 119.597 119.800 0.047 0.000 2.030 408 Q HA -0.088 4.247 4.340 -0.008 0.000 0.204 408 Q C 2.083 178.064 176.000 -0.031 0.000 0.986 408 Q CA 1.556 57.349 55.803 -0.015 0.000 0.843 408 Q CB 0.015 28.700 28.738 -0.088 0.000 0.904 408 Q HN 0.397 nan 8.270 nan 0.000 0.420 409 R N -0.821 119.638 120.500 -0.069 0.000 2.092 409 R HA -0.121 4.214 4.340 -0.008 0.000 0.231 409 R C 2.126 178.449 176.300 0.039 0.000 1.119 409 R CA 1.120 57.178 56.100 -0.070 0.000 0.970 409 R CB -0.344 29.859 30.300 -0.162 0.000 0.864 409 R HN 0.241 nan 8.270 nan 0.000 0.440 410 F N 1.720 121.644 119.950 -0.043 0.000 2.113 410 F HA -0.097 4.425 4.527 -0.008 0.000 0.297 410 F C 1.893 177.719 175.800 0.042 0.000 1.103 410 F CA 1.317 59.342 58.000 0.042 0.000 1.248 410 F CB -0.226 38.832 39.000 0.096 0.000 0.999 410 F HN -0.128 nan 8.300 nan 0.000 0.475 411 L N -0.024 121.208 121.223 0.014 0.000 2.201 411 L HA -0.231 4.104 4.340 -0.008 0.000 0.212 411 L C 2.004 178.807 176.870 -0.112 0.000 1.105 411 L CA 1.500 56.286 54.840 -0.089 0.000 0.775 411 L CB -0.890 41.182 42.059 0.021 0.000 0.913 411 L HN 0.258 nan 8.230 nan 0.000 0.440 412 N N -0.202 118.451 118.700 -0.078 0.000 2.188 412 N HA -0.161 4.574 4.740 -0.008 0.000 0.184 412 N C 1.945 177.399 175.510 -0.093 0.000 1.018 412 N CA 0.691 53.697 53.050 -0.073 0.000 0.858 412 N CB 0.028 38.478 38.487 -0.061 0.000 0.989 412 N HN 0.260 nan 8.380 nan 0.000 0.426 413 R N 0.474 120.898 120.500 -0.127 0.000 2.092 413 R HA -0.021 4.314 4.340 -0.008 0.000 0.231 413 R C 2.109 178.303 176.300 -0.178 0.000 1.119 413 R CA 0.710 56.730 56.100 -0.135 0.000 0.970 413 R CB -0.075 30.153 30.300 -0.120 0.000 0.864 413 R HN 0.058 nan 8.270 nan 0.000 0.440 414 V N 0.576 120.334 119.914 -0.259 0.000 2.358 414 V HA -0.201 3.914 4.120 -0.008 0.000 0.246 414 V C 2.335 178.420 176.094 -0.015 0.000 1.047 414 V CA 1.914 64.125 62.300 -0.148 0.000 1.035 414 V CB -0.610 31.060 31.823 -0.256 0.000 0.658 414 V HN 0.408 nan 8.190 nan 0.000 0.452 415 A N 0.014 122.801 122.820 -0.056 0.000 1.972 415 A HA -0.106 4.209 4.320 -0.008 0.000 0.219 415 A C 2.358 179.917 177.584 -0.041 0.000 1.169 415 A CA 2.059 54.081 52.037 -0.025 0.000 0.635 415 A CB -0.628 18.349 19.000 -0.038 0.000 0.810 415 A HN 0.573 nan 8.150 nan 0.000 0.446 416 A N -0.639 122.135 122.820 -0.077 0.000 1.970 416 A HA 0.337 4.652 4.320 -0.008 0.000 0.216 416 A C 2.348 179.836 177.584 -0.160 0.000 1.170 416 A CA 1.593 53.572 52.037 -0.096 0.000 0.645 416 A CB -0.622 18.326 19.000 -0.087 0.000 0.816 416 A HN 0.936 nan 8.150 nan 0.000 0.447 417 A N -1.599 121.075 122.820 -0.242 0.000 1.975 417 A HA 0.385 4.700 4.320 -0.008 0.000 0.215 417 A C 0.416 177.517 177.584 -0.805 0.000 1.170 417 A CA 0.518 52.230 52.037 -0.542 0.000 0.656 417 A CB -0.148 18.444 19.000 -0.681 0.000 0.821 417 A HN 0.414 nan 8.150 nan 0.000 0.449 418 F N -0.144 119.759 119.950 -0.078 0.000 2.584 418 F HA 0.344 4.866 4.527 -0.008 0.000 0.328 418 F C -2.785 172.978 175.800 -0.061 0.000 1.407 418 F CA -2.899 55.060 58.000 -0.068 0.000 1.145 418 F CB 0.644 39.595 39.000 -0.081 0.000 1.440 418 F HN -0.080 nan 8.300 nan 0.000 0.580 419 P HA 0.133 nan 4.420 nan 0.000 0.262 419 P C 1.041 178.362 177.300 0.034 0.000 1.182 419 P CA 1.298 64.409 63.100 0.018 0.000 0.761 419 P CB 0.725 32.418 31.700 -0.012 0.000 0.795 420 G N 2.727 111.539 108.800 0.020 0.000 2.234 420 G HA2 -0.265 3.690 3.960 -0.008 0.000 0.260 420 G HA3 -0.265 3.690 3.960 -0.008 0.000 0.260 420 G C 0.421 175.331 174.900 0.016 0.000 0.987 420 G CA 0.131 45.240 45.100 0.014 0.000 0.625 420 G HN 0.611 nan 8.290 nan 0.000 0.532 421 D N 1.491 121.910 120.400 0.031 0.000 2.545 421 D HA 0.359 4.994 4.640 -0.008 0.000 0.227 421 D C 2.125 178.417 176.300 -0.014 0.000 1.150 421 D CA 0.437 54.440 54.000 0.006 0.000 1.046 421 D CB 0.293 41.096 40.800 0.004 0.000 1.098 421 D HN 0.627 nan 8.370 nan 0.000 0.502 422 V N 0.642 120.549 119.914 -0.012 0.000 2.515 422 V HA -0.156 3.959 4.120 -0.008 0.000 0.250 422 V C 1.778 177.861 176.094 -0.019 0.000 1.058 422 V CA 1.578 63.870 62.300 -0.013 0.000 1.064 422 V CB -0.430 31.389 31.823 -0.007 0.000 0.675 422 V HN 0.210 nan 8.190 nan 0.000 0.461 423 D N 0.482 120.866 120.400 -0.027 0.000 2.149 423 D HA -0.161 4.474 4.640 -0.008 0.000 0.201 423 D C 2.338 178.610 176.300 -0.047 0.000 0.972 423 D CA 1.353 55.337 54.000 -0.027 0.000 0.835 423 D CB -0.222 40.562 40.800 -0.027 0.000 0.966 423 D HN 0.455 nan 8.370 nan 0.000 0.476 424 R N -0.059 120.388 120.500 -0.088 0.000 2.081 424 R HA -0.102 4.233 4.340 -0.008 0.000 0.235 424 R C 2.277 178.509 176.300 -0.113 0.000 1.131 424 R CA 0.940 56.950 56.100 -0.150 0.000 0.960 424 R CB -0.295 29.853 30.300 -0.254 0.000 0.856 424 R HN 0.253 nan 8.270 nan 0.000 0.436 425 L N 0.672 121.854 121.223 -0.068 0.000 2.012 425 L HA -0.228 4.107 4.340 -0.008 0.000 0.210 425 L C 2.706 179.581 176.870 0.008 0.000 1.073 425 L CA 1.985 56.804 54.840 -0.035 0.000 0.748 425 L CB -0.532 41.516 42.059 -0.018 0.000 0.891 425 L HN 0.298 nan 8.230 nan 0.000 0.431 426 R N 0.106 120.616 120.500 0.016 0.000 2.115 426 R HA -0.093 4.242 4.340 -0.008 0.000 0.226 426 R C 2.112 178.462 176.300 0.082 0.000 1.100 426 R CA 1.000 57.131 56.100 0.052 0.000 0.980 426 R CB -0.568 29.756 30.300 0.040 0.000 0.875 426 R HN 0.209 nan 8.270 nan 0.000 0.445 427 R N 0.116 120.645 120.500 0.049 0.000 2.090 427 R HA 0.131 4.466 4.340 -0.008 0.000 0.228 427 R C 2.006 178.381 176.300 0.125 0.000 1.110 427 R CA 1.699 57.851 56.100 0.087 0.000 0.973 427 R CB -0.188 30.124 30.300 0.021 0.000 0.869 427 R HN 0.324 nan 8.270 nan 0.000 0.440 428 M N 0.199 119.797 119.600 -0.003 0.000 2.541 428 M HA 0.043 4.518 4.480 -0.008 0.000 0.252 428 M C 0.886 177.337 176.300 0.251 0.000 1.125 428 M CA 0.017 55.267 55.300 -0.084 0.000 1.091 428 M CB 0.405 32.804 32.600 -0.335 0.000 1.420 428 M HN -0.081 nan 8.290 nan 0.000 0.486 429 S N 1.080 116.938 115.700 0.263 0.000 2.558 429 S HA 0.040 4.505 4.470 -0.008 0.000 0.291 429 S C 1.128 175.980 174.600 0.421 0.000 1.306 429 S CA -0.206 58.179 58.200 0.308 0.000 1.056 429 S CB 0.570 63.895 63.200 0.209 0.000 0.836 429 S HN 0.373 nan 8.310 nan 0.000 0.504 430 L N 3.932 125.354 121.223 0.333 0.000 2.313 430 L HA 0.110 4.445 4.340 -0.008 0.000 0.214 430 L C 0.257 177.234 176.870 0.179 0.000 1.119 430 L CA 0.292 55.288 54.840 0.260 0.000 0.809 430 L CB -0.360 41.792 42.059 0.155 0.000 0.933 430 L HN 0.404 nan 8.230 nan 0.000 0.449 431 V N 0.789 120.821 119.914 0.198 0.000 2.370 431 V HA 0.178 4.293 4.120 -0.008 0.000 0.279 431 V C 0.036 176.218 176.094 0.148 0.000 1.029 431 V CA -0.615 61.789 62.300 0.172 0.000 0.870 431 V CB 1.417 33.377 31.823 0.228 0.000 0.984 431 V HN 0.171 nan 8.190 nan 0.000 0.451 432 E N 3.222 123.488 120.200 0.110 0.000 2.174 432 E HA 0.446 4.791 4.350 -0.008 0.000 0.282 432 E C -0.749 175.903 176.600 0.087 0.000 0.992 432 E CA -0.601 55.855 56.400 0.093 0.000 0.803 432 E CB 1.940 31.675 29.700 0.059 0.000 1.090 432 E HN 0.590 nan 8.360 nan 0.000 0.396 433 E N 0.800 121.047 120.200 0.080 0.000 2.280 433 E HA 0.678 5.023 4.350 -0.008 0.000 0.264 433 E C 0.155 176.791 176.600 0.060 0.000 1.064 433 E CA 0.159 56.601 56.400 0.069 0.000 0.900 433 E CB 1.614 31.349 29.700 0.059 0.000 1.123 433 E HN 0.648 nan 8.360 nan 0.000 0.418 434 G N -0.261 108.573 108.800 0.057 0.000 2.291 434 G HA2 0.239 4.194 3.960 -0.008 0.000 0.249 434 G HA3 0.239 4.194 3.960 -0.008 0.000 0.249 434 G C 0.516 175.448 174.900 0.054 0.000 1.340 434 G CA 0.338 45.469 45.100 0.051 0.000 1.017 434 G HN 0.615 nan 8.290 nan 0.000 0.470 435 A N -0.833 122.018 122.820 0.051 0.000 1.873 435 A HA 0.247 4.562 4.320 -0.008 0.000 0.219 435 A C 1.770 179.397 177.584 0.071 0.000 1.269 435 A CA 4.479 56.548 52.037 0.054 0.000 0.671 435 A CB -1.298 17.733 19.000 0.052 0.000 0.842 435 A HN 2.412 nan 8.150 nan 0.000 0.460 436 V N -3.292 116.674 119.914 0.088 0.000 2.656 436 V HA 0.572 4.687 4.120 -0.008 0.000 0.307 436 V C -0.588 175.573 176.094 0.112 0.000 1.051 436 V CA -1.368 61.006 62.300 0.123 0.000 0.893 436 V CB 1.633 33.560 31.823 0.173 0.000 0.999 436 V HN 0.375 nan 8.190 nan 0.000 0.426 437 K N 4.172 124.646 120.400 0.123 0.000 2.382 437 K HA 0.493 4.808 4.320 -0.008 0.000 0.275 437 K C -0.382 176.279 176.600 0.100 0.000 1.009 437 K CA -0.178 56.177 56.287 0.113 0.000 0.970 437 K CB 0.866 33.447 32.500 0.134 0.000 0.934 437 K HN 0.738 nan 8.250 nan 0.000 0.479 438 R N 1.430 121.980 120.500 0.082 0.000 2.867 438 R HA 0.486 4.821 4.340 -0.008 0.000 0.268 438 R C -0.630 175.701 176.300 0.053 0.000 1.014 438 R CA -1.047 55.089 56.100 0.061 0.000 0.946 438 R CB 1.303 31.623 30.300 0.033 0.000 1.208 438 R HN 0.365 nan 8.270 nan 0.000 0.477 439 I N 1.925 122.521 120.570 0.044 0.000 2.339 439 I HA 0.160 4.325 4.170 -0.008 0.000 0.290 439 I C -0.222 175.874 176.117 -0.035 0.000 0.994 439 I CA -0.751 60.562 61.300 0.022 0.000 1.191 439 I CB 1.220 39.232 38.000 0.020 0.000 1.343 439 I HN 0.509 nan 8.210 nan 0.000 0.458 440 N N 7.205 125.853 118.700 -0.086 0.000 2.402 440 N HA 0.089 4.824 4.740 -0.008 0.000 0.252 440 N C 0.831 176.230 175.510 -0.184 0.000 1.118 440 N CA -0.332 52.581 53.050 -0.229 0.000 0.945 440 N CB 0.951 39.143 38.487 -0.492 0.000 1.147 440 N HN 0.375 nan 8.380 nan 0.000 0.495 441 M N 2.393 121.894 119.600 -0.166 0.000 2.296 441 M HA -0.067 4.408 4.480 -0.008 0.000 0.265 441 M C 1.905 178.065 176.300 -0.234 0.000 1.064 441 M CA 0.684 55.905 55.300 -0.132 0.000 1.109 441 M CB -1.516 31.051 32.600 -0.055 0.000 1.396 441 M HN 0.598 nan 8.290 nan 0.000 0.430 442 A N -0.483 122.193 122.820 -0.239 0.000 1.930 442 A HA -0.162 4.153 4.320 -0.008 0.000 0.217 442 A C 1.970 179.331 177.584 -0.373 0.000 1.175 442 A CA 1.391 53.260 52.037 -0.280 0.000 0.627 442 A CB -1.092 17.946 19.000 0.064 0.000 0.815 442 A HN 0.597 nan 8.150 nan 0.000 0.443 443 H N -1.062 117.788 119.070 -0.368 0.000 2.389 443 H HA -0.003 4.548 4.556 -0.008 0.000 0.299 443 H C 2.105 177.192 175.328 -0.402 0.000 1.081 443 H CA 0.872 56.648 56.048 -0.453 0.000 1.345 443 H CB -0.029 29.692 29.762 -0.068 0.000 1.393 443 H HN 0.373 nan 8.280 nan 0.000 0.520 444 L N 0.386 121.517 121.223 -0.154 0.000 2.046 444 L HA -0.217 4.118 4.340 -0.008 0.000 0.208 444 L C 2.176 178.906 176.870 -0.233 0.000 1.077 444 L CA 1.262 56.014 54.840 -0.147 0.000 0.747 444 L CB -0.384 41.618 42.059 -0.095 0.000 0.896 444 L HN 0.440 nan 8.230 nan 0.000 0.432 445 C N 0.044 119.104 119.300 -0.400 0.000 2.429 445 C HA -0.160 4.295 4.460 -0.008 0.000 0.277 445 C C 2.671 177.396 174.990 -0.442 0.000 1.262 445 C CA 0.569 59.269 59.018 -0.529 0.000 1.733 445 C CB -0.729 26.315 27.740 -1.160 0.000 2.010 445 C HN 0.513 nan 8.230 nan 0.000 0.483 446 I N 1.330 121.590 120.570 -0.518 0.000 2.252 446 I HA -0.176 3.989 4.170 -0.008 0.000 0.245 446 I C 2.757 178.712 176.117 -0.270 0.000 1.102 446 I CA 1.581 62.622 61.300 -0.431 0.000 1.385 446 I CB -0.575 37.011 38.000 -0.691 0.000 1.064 446 I HN 0.257 nan 8.210 nan 0.000 0.414 447 A N 0.652 123.281 122.820 -0.318 0.000 1.933 447 A HA -0.095 4.220 4.320 -0.008 0.000 0.218 447 A C 2.215 179.839 177.584 0.068 0.000 1.175 447 A CA 1.867 53.767 52.037 -0.228 0.000 0.628 447 A CB -1.147 17.514 19.000 -0.565 0.000 0.814 447 A HN 0.475 nan 8.150 nan 0.000 0.444 448 G N -1.161 107.620 108.800 -0.031 0.000 3.284 448 G HA2 0.412 4.367 3.960 -0.008 0.000 0.236 448 G HA3 0.412 4.367 3.960 -0.008 0.000 0.236 448 G C 0.107 174.842 174.900 -0.274 0.000 1.158 448 G CA 0.473 45.436 45.100 -0.228 0.000 0.774 448 G HN 0.344 nan 8.290 nan 0.000 0.545 449 S N -0.363 115.230 115.700 -0.180 0.000 2.536 449 S HA 0.327 4.792 4.470 -0.008 0.000 0.298 449 S C 0.719 175.258 174.600 -0.101 0.000 1.083 449 S CA -0.713 57.407 58.200 -0.133 0.000 0.995 449 S CB 1.270 64.398 63.200 -0.120 0.000 1.058 449 S HN 0.506 nan 8.310 nan 0.000 0.488 450 H N -0.086 118.940 119.070 -0.073 0.000 2.548 450 H HA 0.507 5.058 4.556 -0.008 0.000 0.265 450 H C 0.108 175.410 175.328 -0.043 0.000 0.969 450 H CA 0.225 56.253 56.048 -0.034 0.000 1.155 450 H CB 0.150 29.911 29.762 -0.001 0.000 1.394 450 H HN 0.501 nan 8.280 nan 0.000 0.570 451 A N 0.956 123.451 122.820 -0.542 0.000 2.488 451 A HA 0.558 4.873 4.320 -0.008 0.000 0.298 451 A C -1.443 175.937 177.584 -0.340 0.000 1.044 451 A CA -0.574 51.206 52.037 -0.429 0.000 0.693 451 A CB 2.234 20.947 19.000 -0.479 0.000 1.272 451 A HN 0.096 nan 8.150 nan 0.000 0.402 452 V N 4.258 123.942 119.914 -0.383 0.000 2.525 452 V HA 0.528 4.643 4.120 -0.008 0.000 0.299 452 V C -0.799 175.123 176.094 -0.286 0.000 1.034 452 V CA -0.765 61.316 62.300 -0.364 0.000 0.863 452 V CB 1.776 33.239 31.823 -0.601 0.000 0.999 452 V HN 1.025 nan 8.190 nan 0.000 0.423 453 N N 3.154 121.702 118.700 -0.253 0.000 2.262 453 N HA 0.635 5.370 4.740 -0.008 0.000 0.295 453 N C -0.272 175.139 175.510 -0.165 0.000 1.161 453 N CA -0.386 52.554 53.050 -0.183 0.000 0.767 453 N CB 2.883 41.234 38.487 -0.227 0.000 1.499 453 N HN 0.625 nan 8.380 nan 0.000 0.476 454 G N -0.905 107.830 108.800 -0.109 0.000 2.511 454 G HA2 0.432 4.387 3.960 -0.008 0.000 0.316 454 G HA3 0.432 4.387 3.960 -0.008 0.000 0.316 454 G C 0.703 175.664 174.900 0.102 0.000 1.210 454 G CA -0.531 44.541 45.100 -0.046 0.000 0.969 454 G HN 0.628 nan 8.290 nan 0.000 0.492 455 V N -3.573 116.532 119.914 0.319 0.000 3.319 455 V HA 0.694 4.809 4.120 -0.008 0.000 0.317 455 V C 0.541 176.723 176.094 0.147 0.000 1.411 455 V CA 0.305 62.703 62.300 0.165 0.000 1.112 455 V CB -0.779 31.107 31.823 0.106 0.000 1.031 455 V HN 1.327 nan 8.190 nan 0.000 0.448 456 A N -0.060 122.853 122.820 0.154 0.000 2.594 456 A HA 0.631 4.946 4.320 -0.008 0.000 0.296 456 A C 0.694 178.327 177.584 0.081 0.000 1.061 456 A CA -0.122 51.981 52.037 0.111 0.000 0.689 456 A CB 1.230 20.285 19.000 0.092 0.000 1.280 456 A HN 0.044 nan 8.150 nan 0.000 0.406 457 R N 1.009 121.536 120.500 0.045 0.000 2.096 457 R HA -0.175 4.160 4.340 -0.008 0.000 0.240 457 R C 1.656 177.953 176.300 -0.005 0.000 1.139 457 R CA 2.356 58.460 56.100 0.007 0.000 0.952 457 R CB -0.239 30.061 30.300 -0.001 0.000 0.854 457 R HN 0.829 nan 8.270 nan 0.000 0.436 458 I N 0.200 120.776 120.570 0.010 0.000 2.286 458 I HA -0.289 3.876 4.170 -0.008 0.000 0.248 458 I C 2.345 178.470 176.117 0.014 0.000 1.115 458 I CA 1.849 63.148 61.300 -0.002 0.000 1.392 458 I CB -0.231 37.767 38.000 -0.003 0.000 1.065 458 I HN 0.351 nan 8.210 nan 0.000 0.418 459 H N 0.303 119.341 119.070 -0.054 0.000 2.326 459 H HA -0.114 4.437 4.556 -0.008 0.000 0.301 459 H C 2.257 177.542 175.328 -0.072 0.000 1.081 459 H CA 2.178 58.187 56.048 -0.066 0.000 1.334 459 H CB -0.284 29.446 29.762 -0.054 0.000 1.385 459 H HN 0.237 nan 8.280 nan 0.000 0.504 460 S N 0.313 115.889 115.700 -0.207 0.000 2.399 460 S HA -0.119 4.346 4.470 -0.008 0.000 0.231 460 S C 1.876 176.347 174.600 -0.215 0.000 1.022 460 S CA 1.188 59.241 58.200 -0.245 0.000 0.983 460 S CB -0.061 63.070 63.200 -0.115 0.000 0.803 460 S HN 0.482 nan 8.310 nan 0.000 0.480 461 E N 1.155 121.255 120.200 -0.168 0.000 2.072 461 E HA 0.031 4.376 4.350 -0.008 0.000 0.190 461 E C 2.014 178.497 176.600 -0.196 0.000 0.982 461 E CA 0.584 56.876 56.400 -0.179 0.000 0.803 461 E CB -0.337 29.291 29.700 -0.120 0.000 0.755 461 E HN 0.504 nan 8.360 nan 0.000 0.453 462 I N 0.992 121.461 120.570 -0.168 0.000 2.286 462 I HA -0.270 3.895 4.170 -0.008 0.000 0.248 462 I C 2.386 178.372 176.117 -0.218 0.000 1.115 462 I CA 0.784 61.990 61.300 -0.157 0.000 1.392 462 I CB -0.235 37.706 38.000 -0.099 0.000 1.065 462 I HN 0.063 nan 8.210 nan 0.000 0.418 463 L N 0.427 121.474 121.223 -0.293 0.000 2.046 463 L HA -0.229 4.106 4.340 -0.008 0.000 0.208 463 L C 2.488 179.222 176.870 -0.226 0.000 1.077 463 L CA 1.592 56.251 54.840 -0.301 0.000 0.747 463 L CB -0.555 41.375 42.059 -0.216 0.000 0.896 463 L HN 0.206 nan 8.230 nan 0.000 0.432 464 K N -0.065 120.136 120.400 -0.332 0.000 2.217 464 K HA -0.107 4.208 4.320 -0.008 0.000 0.202 464 K C 1.988 178.392 176.600 -0.326 0.000 1.051 464 K CA 0.900 56.867 56.287 -0.533 0.000 0.952 464 K CB 0.061 31.984 32.500 -0.961 0.000 0.736 464 K HN 0.269 nan 8.250 nan 0.000 0.453 465 K N 0.042 120.303 120.400 -0.231 0.000 2.314 465 K HA -0.018 4.297 4.320 -0.008 0.000 0.198 465 K C 1.771 178.319 176.600 -0.086 0.000 1.045 465 K CA 1.263 57.470 56.287 -0.134 0.000 0.988 465 K CB 0.507 32.937 32.500 -0.117 0.000 0.783 465 K HN 0.264 nan 8.250 nan 0.000 0.484 466 T N -1.413 113.081 114.554 -0.101 0.000 2.995 466 T HA 0.062 4.407 4.350 -0.008 0.000 0.170 466 T C 1.854 176.526 174.700 -0.047 0.000 0.844 466 T CA -0.029 62.029 62.100 -0.070 0.000 1.137 466 T CB -0.786 68.031 68.868 -0.084 0.000 2.193 466 T HN 0.103 nan 8.240 nan 0.000 0.384 467 I N -0.782 119.710 120.570 -0.131 0.000 2.399 467 I HA 0.107 4.272 4.170 -0.008 0.000 0.254 467 I C 1.401 177.596 176.117 0.129 0.000 1.146 467 I CA 1.571 62.795 61.300 -0.127 0.000 1.412 467 I CB -0.602 37.155 38.000 -0.404 0.000 1.076 467 I HN 0.310 nan 8.210 nan 0.000 0.432 468 F N 0.618 120.635 119.950 0.113 0.000 2.735 468 F HA 0.306 4.828 4.527 -0.008 0.000 0.304 468 F C 1.997 177.873 175.800 0.127 0.000 1.119 468 F CA -0.685 57.449 58.000 0.223 0.000 1.280 468 F CB 0.202 39.315 39.000 0.187 0.000 0.994 468 F HN -0.071 nan 8.300 nan 0.000 0.520 469 K N 1.120 121.639 120.400 0.198 0.000 2.044 469 K HA -0.217 4.098 4.320 -0.008 0.000 0.210 469 K C 1.337 177.990 176.600 0.088 0.000 1.049 469 K CA 2.209 58.550 56.287 0.091 0.000 0.927 469 K CB -0.013 32.507 32.500 0.034 0.000 0.713 469 K HN 0.156 nan 8.250 nan 0.000 0.443 470 D N -0.103 120.319 120.400 0.036 0.000 2.123 470 D HA -0.168 4.467 4.640 -0.008 0.000 0.196 470 D C 1.834 178.038 176.300 -0.160 0.000 0.992 470 D CA 1.275 55.167 54.000 -0.180 0.000 0.833 470 D CB -0.312 40.274 40.800 -0.357 0.000 0.954 470 D HN 0.247 nan 8.370 nan 0.000 0.455 471 F N -0.103 119.918 119.950 0.118 0.000 2.186 471 F HA -0.148 4.374 4.527 -0.008 0.000 0.299 471 F C 2.351 178.306 175.800 0.259 0.000 1.090 471 F CA 0.521 58.671 58.000 0.250 0.000 1.307 471 F CB -0.673 38.531 39.000 0.340 0.000 1.019 471 F HN -0.027 nan 8.300 nan 0.000 0.489 472 Y N 1.434 121.713 120.300 -0.036 0.000 2.224 472 Y HA -0.182 4.363 4.550 -0.008 0.000 0.289 472 Y C 2.059 177.962 175.900 0.006 0.000 1.146 472 Y CA 1.578 59.489 58.100 -0.315 0.000 1.182 472 Y CB -0.606 37.485 38.460 -0.615 0.000 0.983 472 Y HN 0.152 nan 8.280 nan 0.000 0.524 473 E N -0.436 119.718 120.200 -0.077 0.000 2.150 473 E HA -0.170 4.175 4.350 -0.008 0.000 0.193 473 E C 1.973 178.637 176.600 0.106 0.000 0.985 473 E CA 1.122 57.482 56.400 -0.066 0.000 0.814 473 E CB -0.241 29.463 29.700 0.006 0.000 0.752 473 E HN 0.430 nan 8.360 nan 0.000 0.466 474 L N 1.013 122.343 121.223 0.178 0.000 2.095 474 L HA -0.034 4.301 4.340 -0.008 0.000 0.204 474 L C 0.264 177.237 176.870 0.173 0.000 1.080 474 L CA 1.661 56.642 54.840 0.236 0.000 0.759 474 L CB 0.384 42.578 42.059 0.225 0.000 0.914 474 L HN -0.110 nan 8.230 nan 0.000 0.439 475 E N 0.044 120.349 120.200 0.175 0.000 3.386 475 E HA 0.181 4.526 4.350 -0.008 0.000 0.236 475 E C -2.012 174.567 176.600 -0.035 0.000 1.227 475 E CA -1.243 55.188 56.400 0.051 0.000 0.970 475 E CB 0.819 30.523 29.700 0.007 0.000 1.343 475 E HN 0.192 nan 8.360 nan 0.000 0.397 476 P HA -0.261 nan 4.420 nan 0.000 0.216 476 P C 1.235 178.648 177.300 0.188 0.000 1.150 476 P CA 1.472 64.523 63.100 -0.082 0.000 0.837 476 P CB -0.036 31.482 31.700 -0.303 0.000 0.786 477 H N 0.382 119.554 119.070 0.171 0.000 2.489 477 H HA 0.018 4.569 4.556 -0.008 0.000 0.293 477 H C 1.520 176.930 175.328 0.137 0.000 1.066 477 H CA 0.932 57.067 56.048 0.145 0.000 1.305 477 H CB -0.847 28.971 29.762 0.094 0.000 1.386 477 H HN 0.178 nan 8.280 nan 0.000 0.551 478 K N 0.281 120.514 120.400 -0.277 0.000 2.217 478 K HA 0.023 4.338 4.320 -0.008 0.000 0.202 478 K C -0.076 176.335 176.600 -0.316 0.000 1.051 478 K CA 0.278 56.392 56.287 -0.288 0.000 0.952 478 K CB 0.049 32.256 32.500 -0.489 0.000 0.736 478 K HN 0.108 nan 8.250 nan 0.000 0.453 479 F N 1.801 121.772 119.950 0.036 0.000 2.438 479 F HA 0.155 4.677 4.527 -0.009 0.000 0.356 479 F C 0.544 176.347 175.800 0.006 0.000 1.099 479 F CA -0.067 57.962 58.000 0.048 0.000 1.185 479 F CB 0.851 39.939 39.000 0.146 0.000 1.115 479 F HN -0.087 nan 8.300 nan 0.000 0.526 480 Q N 1.700 121.530 119.800 0.050 0.000 2.605 480 Q HA 0.372 4.707 4.340 -0.008 0.000 0.296 480 Q C -1.213 174.747 176.000 -0.067 0.000 1.056 480 Q CA -1.284 54.502 55.803 -0.028 0.000 0.778 480 Q CB 3.097 31.764 28.738 -0.118 0.000 1.497 480 Q HN 0.634 nan 8.270 nan 0.000 0.443 481 N N 0.568 119.207 118.700 -0.101 0.000 2.238 481 N HA 0.296 5.031 4.740 -0.008 0.000 0.302 481 N C -1.537 173.871 175.510 -0.169 0.000 1.072 481 N CA -0.407 52.580 53.050 -0.104 0.000 0.792 481 N CB 1.167 39.615 38.487 -0.064 0.000 1.425 481 N HN 0.283 nan 8.380 nan 0.000 0.478 482 K N 2.670 122.973 120.400 -0.162 0.000 2.723 482 K HA 0.182 4.497 4.320 -0.008 0.000 0.229 482 K C -1.006 175.598 176.600 0.006 0.000 1.022 482 K CA -0.467 55.693 56.287 -0.211 0.000 1.045 482 K CB 1.180 33.315 32.500 -0.609 0.000 1.227 482 K HN 0.554 nan 8.250 nan 0.000 0.516 483 T N 2.002 116.578 114.554 0.037 0.000 2.902 483 T HA 0.056 4.401 4.350 -0.008 0.000 0.301 483 T C 0.819 175.646 174.700 0.212 0.000 1.012 483 T CA 0.361 62.536 62.100 0.125 0.000 1.151 483 T CB 0.299 69.241 68.868 0.123 0.000 0.946 483 T HN 0.352 nan 8.240 nan 0.000 0.542 484 N N 0.585 119.436 118.700 0.252 0.000 2.267 484 N HA 0.403 5.138 4.740 -0.008 0.000 0.226 484 N C 0.488 176.189 175.510 0.319 0.000 1.314 484 N CA -0.131 53.105 53.050 0.309 0.000 0.887 484 N CB 0.368 38.978 38.487 0.205 0.000 1.120 484 N HN 0.768 nan 8.380 nan 0.000 0.440 485 G N -0.737 108.258 108.800 0.325 0.000 2.645 485 G HA2 0.584 4.539 3.960 -0.008 0.000 0.292 485 G HA3 0.584 4.539 3.960 -0.008 0.000 0.292 485 G C -1.466 173.572 174.900 0.230 0.000 1.415 485 G CA -0.742 44.534 45.100 0.293 0.000 0.785 485 G HN 0.596 nan 8.290 nan 0.000 0.483 486 I N -2.329 118.361 120.570 0.199 0.000 2.828 486 I HA 0.751 4.916 4.170 -0.008 0.000 0.302 486 I C -0.255 176.022 176.117 0.266 0.000 1.101 486 I CA -0.950 60.462 61.300 0.186 0.000 1.031 486 I CB 2.411 40.414 38.000 0.004 0.000 1.231 486 I HN 0.514 nan 8.210 nan 0.000 0.427 487 T N 4.239 119.001 114.554 0.347 0.000 2.814 487 T HA 0.340 4.685 4.350 -0.008 0.000 0.297 487 T C -1.366 173.450 174.700 0.193 0.000 0.956 487 T CA -1.564 60.663 62.100 0.211 0.000 1.123 487 T CB 0.757 69.696 68.868 0.118 0.000 0.902 487 T HN 0.649 nan 8.240 nan 0.000 0.528 488 P HA 0.047 nan 4.420 nan 0.000 0.237 488 P C 1.033 178.299 177.300 -0.057 0.000 1.178 488 P CA 0.284 63.418 63.100 0.057 0.000 0.766 488 P CB 0.393 32.110 31.700 0.028 0.000 0.876 489 R N 0.525 120.947 120.500 -0.129 0.000 2.056 489 R HA 0.026 4.361 4.340 -0.008 0.000 0.227 489 R C 2.717 178.895 176.300 -0.204 0.000 1.149 489 R CA 1.509 57.491 56.100 -0.196 0.000 0.937 489 R CB -1.217 28.975 30.300 -0.179 0.000 0.835 489 R HN 0.038 nan 8.270 nan 0.000 0.430 490 R N -0.768 119.549 120.500 -0.305 0.000 2.075 490 R HA -0.111 4.224 4.340 -0.008 0.000 0.232 490 R C 0.967 176.879 176.300 -0.647 0.000 1.126 490 R CA 1.537 57.296 56.100 -0.568 0.000 0.963 490 R CB -0.157 29.622 30.300 -0.869 0.000 0.858 490 R HN 0.289 nan 8.270 nan 0.000 0.435 491 W N -0.035 121.220 121.300 -0.075 0.000 3.405 491 W HA 0.156 4.811 4.660 -0.009 0.000 0.300 491 W C 0.863 177.350 176.519 -0.053 0.000 1.286 491 W CA -0.672 56.628 57.345 -0.076 0.000 1.762 491 W CB 0.393 29.812 29.460 -0.069 0.000 1.087 491 W HN 0.231 nan 8.180 nan 0.000 0.703 492 L N -2.484 118.783 121.223 0.074 0.000 2.604 492 L HA 0.163 4.498 4.340 -0.008 0.000 0.150 492 L C 1.725 178.608 176.870 0.022 0.000 1.292 492 L CA 0.681 55.567 54.840 0.076 0.000 0.977 492 L CB -0.844 41.288 42.059 0.120 0.000 1.943 492 L HN -0.268 nan 8.230 nan 0.000 0.508 493 V N 1.340 121.245 119.914 -0.015 0.000 2.287 493 V HA -0.277 3.838 4.120 -0.008 0.000 0.248 493 V C 2.430 178.495 176.094 -0.047 0.000 1.053 493 V CA 2.551 64.833 62.300 -0.030 0.000 1.027 493 V CB -0.662 31.114 31.823 -0.078 0.000 0.646 493 V HN 0.518 nan 8.190 nan 0.000 0.447 494 L N 0.399 121.564 121.223 -0.098 0.000 2.023 494 L HA -0.162 4.173 4.340 -0.008 0.000 0.205 494 L C 2.491 179.295 176.870 -0.111 0.000 1.073 494 L CA 2.278 57.045 54.840 -0.122 0.000 0.745 494 L CB -0.237 41.700 42.059 -0.203 0.000 0.900 494 L HN 0.644 nan 8.230 nan 0.000 0.435 495 C N -1.658 117.568 119.300 -0.123 0.000 2.563 495 C HA 0.192 4.647 4.460 -0.008 0.000 0.268 495 C C 1.189 176.161 174.990 -0.030 0.000 1.365 495 C CA -0.284 58.683 59.018 -0.085 0.000 1.754 495 C CB -1.048 26.640 27.740 -0.088 0.000 1.932 495 C HN 0.588 nan 8.230 nan 0.000 0.536 496 N N 1.199 119.893 118.700 -0.010 0.000 2.733 496 N HA 0.279 5.014 4.740 -0.008 0.000 0.271 496 N C -1.680 173.842 175.510 0.020 0.000 1.720 496 N CA -1.642 51.415 53.050 0.011 0.000 0.803 496 N CB 0.763 39.266 38.487 0.026 0.000 1.208 496 N HN 0.255 nan 8.380 nan 0.000 0.498 497 P HA -0.061 nan 4.420 nan 0.000 0.218 497 P C 1.393 178.709 177.300 0.027 0.000 1.149 497 P CA 0.945 64.057 63.100 0.019 0.000 0.817 497 P CB 0.239 31.943 31.700 0.007 0.000 0.785 498 G N 0.626 109.437 108.800 0.018 0.000 2.440 498 G HA2 -0.249 3.706 3.960 -0.008 0.000 0.218 498 G HA3 -0.249 3.706 3.960 -0.008 0.000 0.218 498 G C 1.535 176.445 174.900 0.016 0.000 1.154 498 G CA 0.698 45.806 45.100 0.013 0.000 0.767 498 G HN 0.256 nan 8.290 nan 0.000 0.552 499 L N 1.195 122.431 121.223 0.020 0.000 2.072 499 L HA 0.303 4.638 4.340 -0.008 0.000 0.205 499 L C 3.038 179.943 176.870 0.058 0.000 1.079 499 L CA 1.937 56.789 54.840 0.021 0.000 0.752 499 L CB -0.729 41.343 42.059 0.022 0.000 0.906 499 L HN 0.220 nan 8.230 nan 0.000 0.436 500 A N -0.739 122.138 122.820 0.094 0.000 1.940 500 A HA -0.246 4.069 4.320 -0.008 0.000 0.219 500 A C 2.230 179.916 177.584 0.171 0.000 1.176 500 A CA 1.776 53.924 52.037 0.185 0.000 0.631 500 A CB -0.641 18.456 19.000 0.162 0.000 0.814 500 A HN 0.540 nan 8.150 nan 0.000 0.446 501 E N 0.773 121.031 120.200 0.098 0.000 2.028 501 E HA -0.167 4.178 4.350 -0.008 0.000 0.191 501 E C 1.866 178.507 176.600 0.068 0.000 0.988 501 E CA 1.665 58.111 56.400 0.077 0.000 0.799 501 E CB -0.529 29.197 29.700 0.044 0.000 0.755 501 E HN 0.728 nan 8.360 nan 0.000 0.447 502 I N -1.598 119.006 120.570 0.057 0.000 2.454 502 I HA -0.156 4.009 4.170 -0.008 0.000 0.254 502 I C 2.149 178.339 176.117 0.122 0.000 1.156 502 I CA 1.155 62.501 61.300 0.077 0.000 1.433 502 I CB -0.380 37.646 38.000 0.043 0.000 1.082 502 I HN 0.038 nan 8.210 nan 0.000 0.432 503 I N 1.919 122.538 120.570 0.081 0.000 2.233 503 I HA -0.162 4.003 4.170 -0.008 0.000 0.243 503 I C 3.036 179.103 176.117 -0.083 0.000 1.093 503 I CA 1.248 62.524 61.300 -0.041 0.000 1.380 503 I CB -0.463 37.391 38.000 -0.243 0.000 1.067 503 I HN 0.279 nan 8.210 nan 0.000 0.413 504 A N 0.443 123.308 122.820 0.075 0.000 1.940 504 A HA -0.242 4.073 4.320 -0.008 0.000 0.219 504 A C 2.157 179.773 177.584 0.053 0.000 1.176 504 A CA 1.691 53.827 52.037 0.164 0.000 0.631 504 A CB -0.623 18.507 19.000 0.217 0.000 0.814 504 A HN 0.443 nan 8.150 nan 0.000 0.446 505 E N -0.740 119.472 120.200 0.020 0.000 2.160 505 E HA -0.204 4.141 4.350 -0.008 0.000 0.195 505 E C 2.244 178.805 176.600 -0.066 0.000 0.991 505 E CA 1.204 57.599 56.400 -0.009 0.000 0.810 505 E CB -0.047 29.652 29.700 -0.001 0.000 0.742 505 E HN 0.503 nan 8.360 nan 0.000 0.466 506 R N 0.049 120.452 120.500 -0.163 0.000 2.105 506 R HA 0.084 4.419 4.340 -0.008 0.000 0.214 506 R C 2.273 178.487 176.300 -0.143 0.000 1.091 506 R CA 0.828 56.750 56.100 -0.296 0.000 1.007 506 R CB -0.124 29.664 30.300 -0.854 0.000 0.912 506 R HN 0.318 nan 8.270 nan 0.000 0.450 507 I N -2.928 117.578 120.570 -0.107 0.000 4.081 507 I HA 0.440 4.605 4.170 -0.008 0.000 0.333 507 I C 0.360 176.518 176.117 0.068 0.000 1.413 507 I CA -0.002 61.292 61.300 -0.009 0.000 1.110 507 I CB 0.841 38.823 38.000 -0.030 0.000 1.082 507 I HN 0.165 nan 8.210 nan 0.000 0.402 508 G N 2.269 111.120 108.800 0.085 0.000 2.698 508 G HA2 -0.207 3.748 3.960 -0.008 0.000 0.225 508 G HA3 -0.207 3.748 3.960 -0.008 0.000 0.225 508 G C -0.076 174.961 174.900 0.228 0.000 1.345 508 G CA 0.142 45.315 45.100 0.122 0.000 0.871 508 G HN 0.477 nan 8.290 nan 0.000 0.540 509 E N -0.377 119.908 120.200 0.141 0.000 2.476 509 E HA 0.091 4.436 4.350 -0.008 0.000 0.199 509 E C 1.786 178.340 176.600 -0.076 0.000 1.021 509 E CA 0.009 56.434 56.400 0.041 0.000 0.907 509 E CB 0.358 30.069 29.700 0.019 0.000 0.974 509 E HN 0.449 nan 8.360 nan 0.000 0.489 510 E N 0.866 121.093 120.200 0.045 0.000 2.219 510 E HA -0.201 4.144 4.350 -0.008 0.000 0.198 510 E C 1.747 178.346 176.600 -0.002 0.000 0.998 510 E CA 1.056 57.473 56.400 0.029 0.000 0.818 510 E CB -0.077 29.663 29.700 0.066 0.000 0.741 510 E HN 0.548 nan 8.360 nan 0.000 0.477 511 Y N -1.042 119.260 120.300 0.004 0.000 2.352 511 Y HA -0.035 4.511 4.550 -0.007 0.000 0.292 511 Y C 2.025 177.898 175.900 -0.045 0.000 1.136 511 Y CA 0.592 58.686 58.100 -0.010 0.000 1.227 511 Y CB -0.840 37.619 38.460 -0.002 0.000 0.991 511 Y HN -0.089 nan 8.280 nan 0.000 0.545 512 I N 1.003 121.061 120.570 -0.854 0.000 2.423 512 I HA -0.252 3.913 4.170 -0.008 0.000 0.254 512 I C 1.640 177.480 176.117 -0.462 0.000 1.151 512 I CA 1.897 62.752 61.300 -0.741 0.000 1.421 512 I CB -0.403 37.076 38.000 -0.869 0.000 1.079 512 I HN 0.506 nan 8.210 nan 0.000 0.431 513 S N -2.183 113.359 115.700 -0.264 0.000 2.749 513 S HA 0.180 4.645 4.470 -0.008 0.000 0.246 513 S C 0.124 174.700 174.600 -0.040 0.000 1.023 513 S CA -0.507 57.618 58.200 -0.125 0.000 1.012 513 S CB 0.379 63.578 63.200 -0.001 0.000 0.942 513 S HN 0.291 nan 8.310 nan 0.000 0.531 514 D N 0.685 121.070 120.400 -0.025 0.000 3.118 514 D HA 0.213 4.848 4.640 -0.008 0.000 0.259 514 D C 0.415 176.754 176.300 0.066 0.000 1.292 514 D CA -0.367 53.646 54.000 0.022 0.000 0.784 514 D CB 0.323 41.142 40.800 0.032 0.000 1.413 514 D HN 0.105 nan 8.370 nan 0.000 0.583 515 L N 1.108 122.371 121.223 0.065 0.000 2.261 515 L HA -0.059 4.276 4.340 -0.008 0.000 0.216 515 L C 1.469 178.392 176.870 0.088 0.000 1.114 515 L CA 1.654 56.565 54.840 0.117 0.000 0.777 515 L CB -0.111 42.008 42.059 0.099 0.000 0.910 515 L HN 0.279 nan 8.230 nan 0.000 0.440 516 D N -0.828 119.598 120.400 0.044 0.000 2.221 516 D HA -0.219 4.416 4.640 -0.008 0.000 0.204 516 D C 1.932 178.252 176.300 0.034 0.000 0.982 516 D CA 0.846 54.858 54.000 0.019 0.000 0.857 516 D CB 0.040 40.839 40.800 -0.003 0.000 0.934 516 D HN 0.557 nan 8.370 nan 0.000 0.475 517 Q N -0.031 119.807 119.800 0.064 0.000 2.439 517 Q HA -0.052 4.283 4.340 -0.008 0.000 0.211 517 Q C 2.233 178.254 176.000 0.035 0.000 0.978 517 Q CA 0.213 56.054 55.803 0.064 0.000 0.897 517 Q CB 0.020 28.824 28.738 0.110 0.000 0.956 517 Q HN 0.390 nan 8.270 nan 0.000 0.483 518 L N -0.012 121.228 121.223 0.028 0.000 2.353 518 L HA -0.178 4.157 4.340 -0.008 0.000 0.220 518 L C 2.204 179.072 176.870 -0.003 0.000 1.133 518 L CA 0.837 55.661 54.840 -0.027 0.000 0.798 518 L CB -0.298 41.758 42.059 -0.005 0.000 0.922 518 L HN 0.196 nan 8.230 nan 0.000 0.445 519 R N 0.258 120.763 120.500 0.010 0.000 2.159 519 R HA -0.160 4.175 4.340 -0.008 0.000 0.237 519 R C 2.064 178.367 176.300 0.004 0.000 1.131 519 R CA 0.974 57.079 56.100 0.009 0.000 0.982 519 R CB -0.129 30.172 30.300 0.001 0.000 0.868 519 R HN 0.368 nan 8.270 nan 0.000 0.453 520 K N 0.530 120.933 120.400 0.004 0.000 2.360 520 K HA -0.099 4.216 4.320 -0.008 0.000 0.201 520 K C 1.752 178.379 176.600 0.046 0.000 1.046 520 K CA 0.792 57.084 56.287 0.010 0.000 0.945 520 K CB -0.028 32.487 32.500 0.026 0.000 0.750 520 K HN 0.234 nan 8.250 nan 0.000 0.464 521 L N 0.508 121.757 121.223 0.045 0.000 2.376 521 L HA -0.135 4.200 4.340 -0.008 0.000 0.219 521 L C 1.857 178.786 176.870 0.097 0.000 1.133 521 L CA 0.064 54.956 54.840 0.087 0.000 0.816 521 L CB -0.227 41.846 42.059 0.022 0.000 0.933 521 L HN 0.124 nan 8.230 nan 0.000 0.449 522 L N 0.078 121.322 121.223 0.034 0.000 2.127 522 L HA -0.187 4.148 4.340 -0.008 0.000 0.211 522 L C 2.663 179.503 176.870 -0.050 0.000 1.089 522 L CA 1.893 56.739 54.840 0.010 0.000 0.757 522 L CB -0.814 41.241 42.059 -0.008 0.000 0.899 522 L HN 0.345 nan 8.230 nan 0.000 0.434 523 S N -2.745 112.858 115.700 -0.160 0.000 2.660 523 S HA -0.062 4.403 4.470 -0.008 0.000 0.223 523 S C 1.126 175.419 174.600 -0.511 0.000 0.963 523 S CA 0.230 58.232 58.200 -0.330 0.000 0.932 523 S CB -0.512 62.431 63.200 -0.427 0.000 0.775 523 S HN 0.452 nan 8.310 nan 0.000 0.531 524 Y N -0.621 119.611 120.300 -0.113 0.000 2.500 524 Y HA 0.420 4.968 4.550 -0.004 0.000 0.246 524 Y C 1.912 177.848 175.900 0.060 0.000 1.146 524 Y CA -0.712 57.318 58.100 -0.118 0.000 1.230 524 Y CB 0.105 38.280 38.460 -0.476 0.000 1.214 524 Y HN 0.257 nan 8.280 nan 0.000 0.526 525 V N 0.470 120.477 119.914 0.155 0.000 2.688 525 V HA -0.225 3.890 4.120 -0.008 0.000 0.256 525 V C 0.939 177.107 176.094 0.122 0.000 1.084 525 V CA 2.339 64.732 62.300 0.155 0.000 1.103 525 V CB -0.012 31.860 31.823 0.082 0.000 0.688 525 V HN 0.328 nan 8.190 nan 0.000 0.480 526 D N -0.811 119.642 120.400 0.088 0.000 2.398 526 D HA 0.119 4.754 4.640 -0.008 0.000 0.210 526 D C 0.356 176.709 176.300 0.089 0.000 1.094 526 D CA -0.010 54.030 54.000 0.067 0.000 0.839 526 D CB 0.093 40.908 40.800 0.026 0.000 0.963 526 D HN 0.441 nan 8.370 nan 0.000 0.506 527 D N 1.435 121.925 120.400 0.149 0.000 2.338 527 D HA -0.022 4.613 4.640 -0.008 0.000 0.255 527 D C 1.207 177.615 176.300 0.180 0.000 1.237 527 D CA 0.009 54.118 54.000 0.182 0.000 0.883 527 D CB 1.446 42.428 40.800 0.303 0.000 1.087 527 D HN -0.216 nan 8.370 nan 0.000 0.485 528 E N 3.182 123.451 120.200 0.115 0.000 2.118 528 E HA -0.164 4.181 4.350 -0.008 0.000 0.195 528 E C 1.744 178.397 176.600 0.089 0.000 0.992 528 E CA 1.507 57.958 56.400 0.085 0.000 0.804 528 E CB -0.065 29.668 29.700 0.055 0.000 0.741 528 E HN 0.603 nan 8.360 nan 0.000 0.458 529 A N -0.343 122.543 122.820 0.111 0.000 1.873 529 A HA -0.150 4.165 4.320 -0.008 0.000 0.215 529 A C 2.241 179.903 177.584 0.130 0.000 1.186 529 A CA 1.360 53.457 52.037 0.100 0.000 0.616 529 A CB -0.975 18.086 19.000 0.102 0.000 0.823 529 A HN 0.427 nan 8.150 nan 0.000 0.442 530 F N 0.469 120.426 119.950 0.013 0.000 2.102 530 F HA -0.165 4.358 4.527 -0.007 0.000 0.298 530 F C 2.079 177.881 175.800 0.003 0.000 1.105 530 F CA 1.666 59.658 58.000 -0.014 0.000 1.239 530 F CB -0.117 38.880 39.000 -0.005 0.000 0.991 530 F HN 0.165 nan 8.300 nan 0.000 0.474 531 I N 0.153 120.754 120.570 0.051 0.000 2.194 531 I HA -0.369 3.796 4.170 -0.008 0.000 0.246 531 I C 2.568 178.627 176.117 -0.097 0.000 1.093 531 I CA 1.722 62.996 61.300 -0.043 0.000 1.355 531 I CB -0.519 37.505 38.000 0.040 0.000 1.046 531 I HN 0.124 nan 8.210 nan 0.000 0.413 532 R N 0.873 121.341 120.500 -0.053 0.000 2.075 532 R HA -0.178 4.157 4.340 -0.008 0.000 0.232 532 R C 1.894 178.138 176.300 -0.094 0.000 1.126 532 R CA 1.766 57.833 56.100 -0.055 0.000 0.963 532 R CB -0.096 30.191 30.300 -0.021 0.000 0.858 532 R HN 0.299 nan 8.270 nan 0.000 0.435 533 D N -0.342 119.980 120.400 -0.130 0.000 2.117 533 D HA -0.119 4.516 4.640 -0.008 0.000 0.198 533 D C 1.934 178.100 176.300 -0.223 0.000 0.982 533 D CA 1.175 55.084 54.000 -0.152 0.000 0.828 533 D CB -0.177 40.545 40.800 -0.131 0.000 0.967 533 D HN 0.080 nan 8.370 nan 0.000 0.464 534 V N 1.621 121.304 119.914 -0.385 0.000 2.287 534 V HA -0.265 3.850 4.120 -0.008 0.000 0.248 534 V C 2.550 178.547 176.094 -0.161 0.000 1.053 534 V CA 1.975 64.067 62.300 -0.347 0.000 1.027 534 V CB -0.803 30.747 31.823 -0.455 0.000 0.646 534 V HN 0.190 nan 8.190 nan 0.000 0.447 535 A N -0.674 122.072 122.820 -0.124 0.000 1.933 535 A HA -0.247 4.068 4.320 -0.008 0.000 0.218 535 A C 2.349 179.894 177.584 -0.065 0.000 1.175 535 A CA 2.072 54.070 52.037 -0.066 0.000 0.628 535 A CB -0.453 18.512 19.000 -0.058 0.000 0.814 535 A HN 0.533 nan 8.150 nan 0.000 0.444 536 K N -0.250 120.106 120.400 -0.074 0.000 2.057 536 K HA -0.069 4.246 4.320 -0.008 0.000 0.206 536 K C 1.822 178.394 176.600 -0.047 0.000 1.050 536 K CA 1.463 57.717 56.287 -0.056 0.000 0.935 536 K CB -0.235 32.235 32.500 -0.051 0.000 0.715 536 K HN 0.230 nan 8.250 nan 0.000 0.439 537 V N 1.768 121.649 119.914 -0.055 0.000 2.332 537 V HA -0.255 3.860 4.120 -0.008 0.000 0.248 537 V C 2.368 178.449 176.094 -0.022 0.000 1.055 537 V CA 2.019 64.297 62.300 -0.037 0.000 1.038 537 V CB -0.474 31.320 31.823 -0.047 0.000 0.651 537 V HN 0.349 nan 8.190 nan 0.000 0.450 538 K N 0.505 120.890 120.400 -0.026 0.000 2.026 538 K HA -0.233 4.082 4.320 -0.008 0.000 0.208 538 K C 2.175 178.754 176.600 -0.035 0.000 1.048 538 K CA 1.857 58.138 56.287 -0.011 0.000 0.929 538 K CB -0.542 31.965 32.500 0.011 0.000 0.713 538 K HN 0.383 nan 8.250 nan 0.000 0.439 539 Q N 1.046 120.817 119.800 -0.049 0.000 2.096 539 Q HA -0.137 4.198 4.340 -0.008 0.000 0.204 539 Q C 1.696 177.678 176.000 -0.030 0.000 0.982 539 Q CA 2.085 57.849 55.803 -0.064 0.000 0.850 539 Q CB -0.131 28.571 28.738 -0.060 0.000 0.901 539 Q HN 0.533 nan 8.270 nan 0.000 0.422 540 E N -0.515 119.679 120.200 -0.011 0.000 2.077 540 E HA -0.161 4.184 4.350 -0.008 0.000 0.193 540 E C 1.778 178.404 176.600 0.043 0.000 0.989 540 E CA 1.009 57.417 56.400 0.013 0.000 0.800 540 E CB -0.098 29.607 29.700 0.009 0.000 0.746 540 E HN 0.415 nan 8.360 nan 0.000 0.452 541 N N 1.018 119.741 118.700 0.040 0.000 2.166 541 N HA -0.137 4.598 4.740 -0.008 0.000 0.186 541 N C 1.506 177.102 175.510 0.144 0.000 1.019 541 N CA 1.058 54.154 53.050 0.076 0.000 0.856 541 N CB -0.086 38.431 38.487 0.048 0.000 0.993 541 N HN 0.150 nan 8.380 nan 0.000 0.426 542 K N 0.592 121.045 120.400 0.087 0.000 2.057 542 K HA 0.031 4.346 4.320 -0.008 0.000 0.206 542 K C 2.118 178.862 176.600 0.239 0.000 1.050 542 K CA 0.616 56.986 56.287 0.137 0.000 0.935 542 K CB -0.127 32.188 32.500 -0.307 0.000 0.715 542 K HN 0.111 nan 8.250 nan 0.000 0.439 543 L N 1.201 122.498 121.223 0.124 0.000 2.046 543 L HA -0.193 4.142 4.340 -0.008 0.000 0.208 543 L C 2.640 179.607 176.870 0.160 0.000 1.077 543 L CA 1.311 56.225 54.840 0.124 0.000 0.747 543 L CB -0.366 41.732 42.059 0.065 0.000 0.896 543 L HN 0.177 nan 8.230 nan 0.000 0.432 544 K N -0.174 120.325 120.400 0.165 0.000 2.057 544 K HA -0.241 4.074 4.320 -0.008 0.000 0.207 544 K C 2.192 178.947 176.600 0.258 0.000 1.049 544 K CA 1.625 58.018 56.287 0.177 0.000 0.931 544 K CB -0.164 32.427 32.500 0.152 0.000 0.714 544 K HN 0.079 nan 8.250 nan 0.000 0.440 545 F N 1.112 121.160 119.950 0.163 0.000 2.206 545 F HA -0.000 4.522 4.527 -0.008 0.000 0.298 545 F C 1.992 177.939 175.800 0.245 0.000 1.090 545 F CA 1.141 59.253 58.000 0.187 0.000 1.323 545 F CB -0.439 38.670 39.000 0.182 0.000 1.028 545 F HN 0.082 nan 8.300 nan 0.000 0.492 546 A N 0.130 123.106 122.820 0.260 0.000 1.972 546 A HA -0.041 4.274 4.320 -0.008 0.000 0.219 546 A C 2.376 179.993 177.584 0.056 0.000 1.169 546 A CA 1.680 53.806 52.037 0.149 0.000 0.635 546 A CB -1.395 17.763 19.000 0.263 0.000 0.810 546 A HN 0.452 nan 8.150 nan 0.000 0.446 547 A N -1.392 121.478 122.820 0.085 0.000 1.872 547 A HA -0.028 4.287 4.320 -0.008 0.000 0.214 547 A C 2.111 179.716 177.584 0.035 0.000 1.187 547 A CA 1.463 53.532 52.037 0.053 0.000 0.614 547 A CB -0.857 18.186 19.000 0.071 0.000 0.826 547 A HN 0.735 nan 8.150 nan 0.000 0.442 548 Y N 0.767 121.018 120.300 -0.081 0.000 2.207 548 Y HA -0.194 4.351 4.550 -0.008 0.000 0.287 548 Y C 1.836 177.657 175.900 -0.132 0.000 1.156 548 Y CA 1.792 59.830 58.100 -0.102 0.000 1.182 548 Y CB -0.341 38.063 38.460 -0.093 0.000 0.979 548 Y HN 0.211 nan 8.280 nan 0.000 0.521 549 L N 0.012 121.212 121.223 -0.039 0.000 2.191 549 L HA -0.201 4.134 4.340 -0.008 0.000 0.212 549 L C 2.149 179.012 176.870 -0.010 0.000 1.103 549 L CA 1.731 56.550 54.840 -0.035 0.000 0.769 549 L CB -0.406 41.566 42.059 -0.146 0.000 0.908 549 L HN 0.361 nan 8.230 nan 0.000 0.438 550 E N -0.776 119.402 120.200 -0.036 0.000 2.250 550 E HA -0.067 4.278 4.350 -0.008 0.000 0.192 550 E C 2.186 178.741 176.600 -0.074 0.000 0.986 550 E CA 0.104 56.500 56.400 -0.007 0.000 0.849 550 E CB 0.205 29.899 29.700 -0.009 0.000 0.797 550 E HN 0.420 nan 8.360 nan 0.000 0.482 551 R N 1.078 121.485 120.500 -0.154 0.000 2.070 551 R HA -0.079 4.256 4.340 -0.008 0.000 0.227 551 R C 1.920 178.041 176.300 -0.298 0.000 1.147 551 R CA 1.222 57.200 56.100 -0.203 0.000 0.924 551 R CB 0.000 30.166 30.300 -0.224 0.000 0.827 551 R HN 0.057 nan 8.270 nan 0.000 0.431 552 E N -0.709 119.163 120.200 -0.547 0.000 2.478 552 E HA -0.055 4.290 4.350 -0.008 0.000 0.194 552 E C 0.472 176.578 176.600 -0.823 0.000 1.045 552 E CA 0.796 56.754 56.400 -0.738 0.000 0.868 552 E CB 0.444 29.488 29.700 -1.094 0.000 0.885 552 E HN 0.468 nan 8.360 nan 0.000 0.505 553 Y N 0.081 120.273 120.300 -0.180 0.000 2.666 553 Y HA 0.178 4.723 4.550 -0.009 0.000 0.260 553 Y C -0.247 175.633 175.900 -0.035 0.000 1.089 553 Y CA -0.902 57.152 58.100 -0.077 0.000 1.246 553 Y CB 0.666 39.094 38.460 -0.052 0.000 1.353 553 Y HN -0.282 nan 8.280 nan 0.000 0.558 554 K N 1.276 121.718 120.400 0.070 0.000 5.587 554 K HA -0.123 4.192 4.320 -0.008 0.000 0.436 554 K C -1.069 175.604 176.600 0.120 0.000 1.020 554 K CA 0.427 56.771 56.287 0.094 0.000 1.212 554 K CB -1.251 31.293 32.500 0.074 0.000 1.905 554 K HN 0.122 nan 8.250 nan 0.000 0.351 555 V N 3.660 123.673 119.914 0.165 0.000 2.818 555 V HA 0.090 4.205 4.120 -0.008 0.000 0.283 555 V C -0.498 175.719 176.094 0.205 0.000 1.366 555 V CA -0.796 61.569 62.300 0.108 0.000 0.934 555 V CB 1.334 33.193 31.823 0.060 0.000 1.100 555 V HN 0.729 nan 8.190 nan 0.000 0.447 556 H N 5.710 124.777 119.070 -0.004 0.000 2.548 556 H HA 0.794 5.345 4.556 -0.008 0.000 0.331 556 H C 0.012 175.337 175.328 -0.006 0.000 1.093 556 H CA -0.510 55.538 56.048 -0.000 0.000 1.367 556 H CB 1.708 31.474 29.762 0.006 0.000 1.455 556 H HN 0.702 nan 8.280 nan 0.000 0.519 557 I N -0.268 120.385 120.570 0.139 0.000 2.994 557 I HA 0.382 4.547 4.170 -0.008 0.000 0.306 557 I C -0.999 175.199 176.117 0.134 0.000 1.195 557 I CA -1.325 60.033 61.300 0.096 0.000 1.001 557 I CB 2.473 40.498 38.000 0.042 0.000 1.244 557 I HN 0.379 nan 8.210 nan 0.000 0.437 558 N N 4.248 123.035 118.700 0.146 0.000 2.437 558 N HA 0.452 5.187 4.740 -0.008 0.000 0.243 558 N C -2.106 173.546 175.510 0.236 0.000 1.041 558 N CA -2.339 50.803 53.050 0.152 0.000 0.940 558 N CB 1.233 39.783 38.487 0.105 0.000 1.133 558 N HN 0.360 nan 8.380 nan 0.000 0.506 559 P HA -0.027 nan 4.420 nan 0.000 0.228 559 P C -0.001 177.274 177.300 -0.042 0.000 1.151 559 P CA 1.138 64.307 63.100 0.115 0.000 0.770 559 P CB 0.159 31.909 31.700 0.083 0.000 0.786 560 N N -1.313 117.399 118.700 0.021 0.000 2.422 560 N HA 0.005 4.740 4.740 -0.008 0.000 0.181 560 N C 0.498 176.028 175.510 0.034 0.000 1.080 560 N CA -0.112 52.941 53.050 0.005 0.000 0.893 560 N CB 0.073 38.577 38.487 0.029 0.000 0.973 560 N HN 0.187 nan 8.380 nan 0.000 0.456 561 S N 0.388 116.121 115.700 0.055 0.000 2.624 561 S HA 0.194 4.659 4.470 -0.008 0.000 0.263 561 S C 0.013 174.565 174.600 -0.081 0.000 1.287 561 S CA -0.848 57.373 58.200 0.035 0.000 0.990 561 S CB 1.141 64.399 63.200 0.096 0.000 0.950 561 S HN 0.163 nan 8.310 nan 0.000 0.561 562 L N 1.800 122.829 121.223 -0.324 0.000 2.361 562 L HA 0.390 4.725 4.340 -0.008 0.000 0.278 562 L C -0.927 175.910 176.870 -0.055 0.000 1.113 562 L CA -0.616 53.829 54.840 -0.658 0.000 0.849 562 L CB -0.144 41.220 42.059 -1.158 0.000 1.155 562 L HN 0.707 nan 8.230 nan 0.000 0.452 563 F N 4.236 124.050 119.950 -0.226 0.000 2.405 563 F HA 0.095 4.617 4.527 -0.007 0.000 0.358 563 F C 0.428 176.159 175.800 -0.114 0.000 1.151 563 F CA -0.818 57.119 58.000 -0.105 0.000 1.161 563 F CB 0.548 39.537 39.000 -0.019 0.000 1.245 563 F HN 0.529 nan 8.300 nan 0.000 0.545 564 D N 4.944 125.350 120.400 0.009 0.000 2.428 564 D HA 0.238 4.873 4.640 -0.008 0.000 0.221 564 D C -0.997 175.242 176.300 -0.102 0.000 1.123 564 D CA -0.050 53.907 54.000 -0.072 0.000 0.869 564 D CB 1.309 42.051 40.800 -0.096 0.000 1.032 564 D HN 0.266 nan 8.370 nan 0.000 0.506 565 V N 2.665 122.499 119.914 -0.134 0.000 2.735 565 V HA 0.588 4.703 4.120 -0.008 0.000 0.310 565 V C -1.379 174.559 176.094 -0.259 0.000 1.061 565 V CA -0.690 61.512 62.300 -0.163 0.000 0.913 565 V CB 1.933 33.714 31.823 -0.071 0.000 1.005 565 V HN 0.509 nan 8.190 nan 0.000 0.428 566 Q N 4.293 123.957 119.800 -0.227 0.000 2.397 566 Q HA 0.651 4.986 4.340 -0.008 0.000 0.260 566 Q C -1.475 174.355 176.000 -0.282 0.000 1.002 566 Q CA -0.627 55.029 55.803 -0.246 0.000 0.716 566 Q CB 1.866 30.488 28.738 -0.193 0.000 1.258 566 Q HN 1.155 nan 8.270 nan 0.000 0.477 567 V N 1.845 121.577 119.914 -0.304 0.000 2.487 567 V HA 0.868 4.983 4.120 -0.008 0.000 0.298 567 V C -0.842 174.964 176.094 -0.481 0.000 1.028 567 V CA -0.534 61.393 62.300 -0.621 0.000 0.860 567 V CB 1.267 32.481 31.823 -1.014 0.000 0.991 567 V HN 0.810 nan 8.190 nan 0.000 0.427 568 K N 2.537 122.700 120.400 -0.396 0.000 3.040 568 K HA 0.386 4.701 4.320 -0.008 0.000 0.300 568 K C -1.305 175.292 176.600 -0.006 0.000 1.092 568 K CA -1.124 55.119 56.287 -0.074 0.000 0.831 568 K CB 0.901 33.350 32.500 -0.085 0.000 1.469 568 K HN 0.471 nan 8.250 nan 0.000 0.365 569 R N 0.896 121.446 120.500 0.083 0.000 2.698 569 R HA 0.168 4.503 4.340 -0.008 0.000 0.266 569 R C 0.380 176.707 176.300 0.045 0.000 1.026 569 R CA -0.309 55.856 56.100 0.108 0.000 1.102 569 R CB -0.164 30.227 30.300 0.151 0.000 0.978 569 R HN 0.461 nan 8.270 nan 0.000 0.436 570 I N 4.133 124.741 120.570 0.065 0.000 2.452 570 I HA 0.093 4.258 4.170 -0.008 0.000 0.287 570 I C 0.734 176.848 176.117 -0.004 0.000 1.079 570 I CA 0.563 61.857 61.300 -0.010 0.000 1.387 570 I CB -0.322 37.661 38.000 -0.028 0.000 1.404 570 I HN 0.356 nan 8.210 nan 0.000 0.522 571 H N 5.222 124.196 119.070 -0.159 0.000 3.079 571 H HA 0.220 4.771 4.556 -0.008 0.000 0.356 571 H C 0.361 175.571 175.328 -0.196 0.000 1.221 571 H CA -0.377 55.621 56.048 -0.082 0.000 1.185 571 H CB 1.803 31.512 29.762 -0.088 0.000 1.882 571 H HN 0.592 nan 8.280 nan 0.000 0.543 572 E N 2.027 122.277 120.200 0.084 0.000 2.110 572 E HA -0.226 4.119 4.350 -0.008 0.000 0.193 572 E C 1.319 177.748 176.600 -0.285 0.000 0.988 572 E CA 1.722 58.145 56.400 0.040 0.000 0.804 572 E CB -0.038 29.841 29.700 0.298 0.000 0.745 572 E HN 0.580 nan 8.360 nan 0.000 0.458 573 Y N 0.899 120.830 120.300 -0.615 0.000 2.352 573 Y HA -0.002 4.543 4.550 -0.009 0.000 0.292 573 Y C 1.510 177.149 175.900 -0.436 0.000 1.136 573 Y CA 0.810 58.237 58.100 -1.121 0.000 1.227 573 Y CB -0.107 37.681 38.460 -1.120 0.000 0.991 573 Y HN -0.214 nan 8.280 nan 0.000 0.545 574 K N 0.782 120.698 120.400 -0.807 0.000 2.432 574 K HA 0.050 4.365 4.320 -0.008 0.000 0.196 574 K C 0.112 176.538 176.600 -0.289 0.000 1.038 574 K CA 0.539 56.476 56.287 -0.582 0.000 0.986 574 K CB -0.069 32.079 32.500 -0.586 0.000 0.782 574 K HN 0.264 nan 8.250 nan 0.000 0.485 575 R N 0.500 120.862 120.500 -0.229 0.000 3.333 575 R HA -0.230 4.105 4.340 -0.008 0.000 0.256 575 R C 0.259 176.482 176.300 -0.128 0.000 1.010 575 R CA 0.183 56.202 56.100 -0.135 0.000 0.680 575 R CB -1.815 28.424 30.300 -0.103 0.000 1.102 575 R HN 0.297 nan 8.270 nan 0.000 0.440 576 Q N 0.322 120.044 119.800 -0.128 0.000 2.226 576 Q HA -0.036 4.299 4.340 -0.008 0.000 0.204 576 Q C 2.024 177.976 176.000 -0.080 0.000 0.975 576 Q CA 1.328 57.068 55.803 -0.106 0.000 0.866 576 Q CB 0.046 28.724 28.738 -0.099 0.000 0.915 576 Q HN 0.583 nan 8.270 nan 0.000 0.440 577 L N -0.582 120.598 121.223 -0.072 0.000 2.083 577 L HA -0.183 4.152 4.340 -0.008 0.000 0.209 577 L C 1.993 178.866 176.870 0.005 0.000 1.083 577 L CA 0.550 55.363 54.840 -0.045 0.000 0.752 577 L CB -0.341 41.703 42.059 -0.026 0.000 0.899 577 L HN 0.313 nan 8.230 nan 0.000 0.433 578 L N -0.022 121.196 121.223 -0.009 0.000 2.093 578 L HA -0.226 4.109 4.340 -0.008 0.000 0.208 578 L C 2.015 178.937 176.870 0.087 0.000 1.085 578 L CA 1.882 56.729 54.840 0.012 0.000 0.755 578 L CB -0.825 41.128 42.059 -0.176 0.000 0.904 578 L HN 0.281 nan 8.230 nan 0.000 0.435 579 N N -1.662 117.055 118.700 0.029 0.000 2.120 579 N HA -0.232 4.503 4.740 -0.008 0.000 0.188 579 N C 1.939 177.531 175.510 0.135 0.000 1.024 579 N CA 1.614 54.758 53.050 0.158 0.000 0.852 579 N CB -0.138 38.372 38.487 0.038 0.000 1.003 579 N HN 0.493 nan 8.380 nan 0.000 0.424 580 C N 0.574 119.889 119.300 0.025 0.000 2.413 580 C HA -0.077 4.378 4.460 -0.008 0.000 0.276 580 C C 2.592 177.573 174.990 -0.015 0.000 1.248 580 C CA 0.388 59.373 59.018 -0.054 0.000 1.742 580 C CB -1.262 26.393 27.740 -0.140 0.000 2.017 580 C HN 0.510 nan 8.230 nan 0.000 0.481 581 L N -0.371 120.905 121.223 0.089 0.000 2.083 581 L HA -0.198 4.137 4.340 -0.008 0.000 0.209 581 L C 2.765 179.784 176.870 0.248 0.000 1.083 581 L CA 1.787 56.727 54.840 0.167 0.000 0.752 581 L CB -1.038 41.193 42.059 0.286 0.000 0.899 581 L HN 0.590 nan 8.230 nan 0.000 0.433 582 H N -0.062 119.120 119.070 0.186 0.000 2.326 582 H HA -0.133 4.418 4.556 -0.008 0.000 0.301 582 H C 2.240 177.558 175.328 -0.017 0.000 1.081 582 H CA 1.870 57.944 56.048 0.042 0.000 1.334 582 H CB 0.327 30.041 29.762 -0.080 0.000 1.385 582 H HN 0.093 nan 8.280 nan 0.000 0.504 583 V N 1.635 121.459 119.914 -0.150 0.000 2.287 583 V HA -0.281 3.834 4.120 -0.008 0.000 0.248 583 V C 2.831 178.845 176.094 -0.133 0.000 1.053 583 V CA 1.920 64.097 62.300 -0.205 0.000 1.027 583 V CB -0.513 31.238 31.823 -0.121 0.000 0.646 583 V HN 0.403 nan 8.190 nan 0.000 0.447 584 I N -0.244 120.283 120.570 -0.073 0.000 2.315 584 I HA -0.208 3.957 4.170 -0.008 0.000 0.248 584 I C 2.487 178.645 176.117 0.068 0.000 1.117 584 I CA 1.635 62.956 61.300 0.035 0.000 1.404 584 I CB -0.665 37.336 38.000 0.001 0.000 1.071 584 I HN 0.327 nan 8.210 nan 0.000 0.419 585 T N 1.224 115.776 114.554 -0.003 0.000 2.746 585 T HA -0.144 4.201 4.350 -0.008 0.000 0.267 585 T C 1.881 176.525 174.700 -0.092 0.000 1.039 585 T CA 1.189 63.282 62.100 -0.011 0.000 1.142 585 T CB -0.223 68.665 68.868 0.033 0.000 0.866 585 T HN 0.083 nan 8.240 nan 0.000 0.444 586 L N 0.095 121.192 121.223 -0.209 0.000 2.046 586 L HA -0.005 4.330 4.340 -0.008 0.000 0.208 586 L C 2.086 178.909 176.870 -0.079 0.000 1.077 586 L CA 1.562 56.278 54.840 -0.207 0.000 0.747 586 L CB -0.962 40.904 42.059 -0.322 0.000 0.896 586 L HN 0.362 nan 8.230 nan 0.000 0.432 587 Y N 0.146 120.373 120.300 -0.121 0.000 2.145 587 Y HA -0.272 4.273 4.550 -0.009 0.000 0.286 587 Y C 2.415 178.285 175.900 -0.051 0.000 1.145 587 Y CA 1.804 59.870 58.100 -0.055 0.000 1.148 587 Y CB -0.090 38.380 38.460 0.017 0.000 0.981 587 Y HN 0.273 nan 8.280 nan 0.000 0.507 588 N N 0.470 119.122 118.700 -0.081 0.000 2.166 588 N HA -0.138 4.597 4.740 -0.008 0.000 0.186 588 N C 1.808 177.203 175.510 -0.192 0.000 1.019 588 N CA 1.430 54.370 53.050 -0.183 0.000 0.856 588 N CB -0.348 38.091 38.487 -0.081 0.000 0.993 588 N HN 0.452 nan 8.380 nan 0.000 0.426 589 R N 0.395 120.808 120.500 -0.145 0.000 2.092 589 R HA 0.088 4.423 4.340 -0.008 0.000 0.231 589 R C 2.200 178.410 176.300 -0.150 0.000 1.119 589 R CA 0.709 56.732 56.100 -0.128 0.000 0.970 589 R CB -0.196 30.039 30.300 -0.109 0.000 0.864 589 R HN 0.240 nan 8.270 nan 0.000 0.440 590 I N 0.909 121.368 120.570 -0.186 0.000 2.252 590 I HA -0.252 3.913 4.170 -0.008 0.000 0.245 590 I C 2.045 178.039 176.117 -0.205 0.000 1.102 590 I CA 1.147 62.337 61.300 -0.182 0.000 1.385 590 I CB -0.170 37.721 38.000 -0.181 0.000 1.064 590 I HN 0.023 nan 8.210 nan 0.000 0.414 591 K N 0.908 121.121 120.400 -0.311 0.000 2.209 591 K HA -0.190 4.125 4.320 -0.008 0.000 0.204 591 K C 1.991 178.489 176.600 -0.169 0.000 1.048 591 K CA 1.106 57.226 56.287 -0.278 0.000 0.940 591 K CB -0.277 31.980 32.500 -0.406 0.000 0.729 591 K HN 0.334 nan 8.250 nan 0.000 0.451 592 K N 1.129 121.437 120.400 -0.153 0.000 2.116 592 K HA -0.068 4.247 4.320 -0.008 0.000 0.203 592 K C 0.014 176.566 176.600 -0.080 0.000 1.052 592 K CA 0.992 57.217 56.287 -0.105 0.000 0.952 592 K CB 0.380 32.822 32.500 -0.096 0.000 0.729 592 K HN 0.051 nan 8.250 nan 0.000 0.446 593 E N 0.169 120.320 120.200 -0.083 0.000 3.374 593 E HA 0.120 4.465 4.350 -0.008 0.000 0.223 593 E C -2.356 174.208 176.600 -0.061 0.000 1.210 593 E CA -1.602 54.762 56.400 -0.059 0.000 0.987 593 E CB 1.736 31.408 29.700 -0.047 0.000 1.322 593 E HN 0.102 nan 8.360 nan 0.000 0.404 594 P HA -0.184 nan 4.420 nan 0.000 0.216 594 P C 0.258 177.540 177.300 -0.030 0.000 1.153 594 P CA 1.326 64.393 63.100 -0.054 0.000 0.858 594 P CB 0.173 31.846 31.700 -0.046 0.000 0.789 595 N N -1.246 117.446 118.700 -0.014 0.000 2.322 595 N HA 0.011 4.746 4.740 -0.008 0.000 0.216 595 N C 0.425 175.951 175.510 0.027 0.000 1.144 595 N CA 0.045 53.100 53.050 0.009 0.000 0.830 595 N CB -0.078 38.414 38.487 0.009 0.000 1.034 595 N HN 0.050 nan 8.380 nan 0.000 0.484 596 K N 1.039 121.448 120.400 0.015 0.000 2.130 596 K HA 0.170 4.485 4.320 -0.008 0.000 0.268 596 K C -0.937 175.700 176.600 0.063 0.000 0.983 596 K CA -0.602 55.708 56.287 0.038 0.000 0.893 596 K CB 0.690 33.191 32.500 0.002 0.000 1.066 596 K HN -0.044 nan 8.250 nan 0.000 0.450 597 F N 4.309 124.245 119.950 -0.024 0.000 2.443 597 F HA 0.266 4.788 4.527 -0.009 0.000 0.353 597 F C -0.433 175.352 175.800 -0.025 0.000 1.101 597 F CA -0.104 57.883 58.000 -0.022 0.000 1.226 597 F CB 0.703 39.693 39.000 -0.016 0.000 1.140 597 F HN 0.195 nan 8.300 nan 0.000 0.557 598 V N 3.865 123.140 119.914 -1.066 0.000 2.888 598 V HA 0.515 4.630 4.120 -0.008 0.000 0.309 598 V C -0.915 174.566 176.094 -1.021 0.000 1.114 598 V CA -1.237 60.603 62.300 -0.766 0.000 0.940 598 V CB 0.875 32.470 31.823 -0.380 0.000 1.021 598 V HN 0.597 nan 8.190 nan 0.000 0.426 599 V N 4.502 124.077 119.914 -0.566 0.000 2.493 599 V HA 0.186 4.301 4.120 -0.008 0.000 0.292 599 V C -1.853 174.077 176.094 -0.274 0.000 1.016 599 V CA -0.390 61.719 62.300 -0.317 0.000 1.097 599 V CB 0.369 32.129 31.823 -0.106 0.000 0.947 599 V HN 0.898 nan 8.190 nan 0.000 0.479 600 P HA 0.277 nan 4.420 nan 0.000 0.268 600 P C -0.332 176.884 177.300 -0.140 0.000 1.204 600 P CA 0.129 63.148 63.100 -0.136 0.000 0.768 600 P CB 0.485 32.157 31.700 -0.048 0.000 0.842 601 R N 1.374 121.803 120.500 -0.118 0.000 2.795 601 R HA 0.612 4.947 4.340 -0.008 0.000 0.275 601 R C -0.805 175.462 176.300 -0.054 0.000 0.981 601 R CA -0.673 55.360 56.100 -0.112 0.000 0.917 601 R CB 2.052 32.268 30.300 -0.140 0.000 1.202 601 R HN 0.263 nan 8.270 nan 0.000 0.469 602 T N 1.769 116.308 114.554 -0.025 0.000 2.864 602 T HA 0.231 4.576 4.350 -0.008 0.000 0.310 602 T C -0.500 174.127 174.700 -0.121 0.000 1.040 602 T CA -0.465 61.589 62.100 -0.076 0.000 0.977 602 T CB 1.150 69.936 68.868 -0.137 0.000 0.976 602 T HN 0.142 nan 8.240 nan 0.000 0.459 603 V N 5.880 125.726 119.914 -0.113 0.000 2.385 603 V HA 0.416 4.531 4.120 -0.008 0.000 0.269 603 V C 0.119 176.136 176.094 -0.129 0.000 1.043 603 V CA -0.311 61.923 62.300 -0.110 0.000 0.906 603 V CB 0.646 32.417 31.823 -0.087 0.000 0.995 603 V HN 0.836 nan 8.190 nan 0.000 0.467 604 M N 6.708 126.219 119.600 -0.148 0.000 2.227 604 M HA 0.606 5.081 4.480 -0.008 0.000 0.335 604 M C -0.986 175.199 176.300 -0.192 0.000 1.053 604 M CA -0.187 55.014 55.300 -0.165 0.000 0.973 604 M CB 1.952 34.453 32.600 -0.166 0.000 1.623 604 M HN 0.422 nan 8.290 nan 0.000 0.434 605 I N 1.938 122.370 120.570 -0.230 0.000 2.498 605 I HA 0.805 4.970 4.170 -0.008 0.000 0.290 605 I C 0.062 175.830 176.117 -0.582 0.000 1.032 605 I CA -0.619 60.513 61.300 -0.281 0.000 1.073 605 I CB 2.314 40.235 38.000 -0.131 0.000 1.251 605 I HN 0.799 nan 8.210 nan 0.000 0.426 606 G N 2.993 111.426 108.800 -0.612 0.000 2.690 606 G HA2 0.838 4.793 3.960 -0.008 0.000 0.293 606 G HA3 0.838 4.793 3.960 -0.008 0.000 0.293 606 G C -1.016 173.585 174.900 -0.499 0.000 1.399 606 G CA -0.781 43.817 45.100 -0.836 0.000 0.890 606 G HN 0.985 nan 8.290 nan 0.000 0.485 607 G N -0.372 108.296 108.800 -0.220 0.000 2.329 607 G HA2 0.399 4.354 3.960 -0.008 0.000 0.308 607 G HA3 0.399 4.354 3.960 -0.008 0.000 0.308 607 G C -1.224 173.819 174.900 0.239 0.000 1.587 607 G CA -1.024 44.117 45.100 0.068 0.000 0.978 607 G HN 0.608 nan 8.290 nan 0.000 0.685 608 K N -0.135 120.404 120.400 0.232 0.000 2.098 608 K HA 0.773 5.088 4.320 -0.008 0.000 0.258 608 K C 0.215 176.968 176.600 0.254 0.000 0.973 608 K CA -0.224 56.220 56.287 0.262 0.000 0.898 608 K CB 2.068 34.627 32.500 0.099 0.000 1.057 608 K HN 0.889 nan 8.250 nan 0.000 0.447 609 A N 1.213 124.218 122.820 0.309 0.000 2.337 609 A HA 0.648 4.963 4.320 -0.008 0.000 0.329 609 A C -0.549 177.226 177.584 0.318 0.000 1.146 609 A CA -0.766 51.397 52.037 0.209 0.000 0.800 609 A CB 1.140 20.175 19.000 0.058 0.000 1.220 609 A HN 0.766 nan 8.150 nan 0.000 0.472 610 A N 3.431 126.428 122.820 0.296 0.000 2.511 610 A HA 0.474 4.789 4.320 -0.008 0.000 0.242 610 A C -1.408 176.274 177.584 0.163 0.000 1.069 610 A CA -0.793 51.416 52.037 0.285 0.000 0.763 610 A CB -0.380 18.762 19.000 0.236 0.000 1.001 610 A HN 0.597 nan 8.150 nan 0.000 0.498 611 P HA -0.165 nan 4.420 nan 0.000 0.217 611 P C 1.287 178.583 177.300 -0.006 0.000 1.151 611 P CA 2.074 65.125 63.100 -0.082 0.000 0.849 611 P CB 0.211 31.809 31.700 -0.171 0.000 0.787 612 G N -3.138 105.684 108.800 0.036 0.000 3.189 612 G HA2 -0.065 3.890 3.960 -0.008 0.000 0.225 612 G HA3 -0.065 3.890 3.960 -0.008 0.000 0.225 612 G C -0.254 174.688 174.900 0.070 0.000 1.159 612 G CA -0.120 45.003 45.100 0.039 0.000 0.763 612 G HN 0.311 nan 8.290 nan 0.000 0.549 613 Y N 1.715 121.963 120.300 -0.087 0.000 2.691 613 Y HA 0.187 4.732 4.550 -0.008 0.000 0.338 613 Y C 1.646 177.523 175.900 -0.038 0.000 1.148 613 Y CA -1.092 56.930 58.100 -0.129 0.000 1.430 613 Y CB 0.085 38.435 38.460 -0.183 0.000 1.303 613 Y HN 0.310 nan 8.280 nan 0.000 0.499 614 H N 3.929 123.103 119.070 0.173 0.000 2.289 614 H HA -0.251 4.300 4.556 -0.008 0.000 0.296 614 H C 1.840 177.176 175.328 0.014 0.000 1.091 614 H CA 2.524 58.620 56.048 0.079 0.000 1.274 614 H CB 0.312 30.121 29.762 0.078 0.000 1.364 614 H HN 0.715 nan 8.280 nan 0.000 0.490 615 M N 1.030 120.618 119.600 -0.019 0.000 2.108 615 M HA -0.106 4.369 4.480 -0.008 0.000 0.261 615 M C 2.562 178.604 176.300 -0.429 0.000 1.066 615 M CA 1.915 57.112 55.300 -0.172 0.000 1.107 615 M CB -0.792 31.832 32.600 0.040 0.000 1.356 615 M HN 0.354 nan 8.290 nan 0.000 0.406 616 A N -0.467 121.841 122.820 -0.853 0.000 1.933 616 A HA -0.197 4.118 4.320 -0.008 0.000 0.218 616 A C 2.211 179.579 177.584 -0.360 0.000 1.175 616 A CA 1.902 53.481 52.037 -0.764 0.000 0.628 616 A CB -0.655 17.692 19.000 -1.088 0.000 0.814 616 A HN 0.591 nan 8.150 nan 0.000 0.444 617 K N -1.174 119.063 120.400 -0.272 0.000 2.148 617 K HA -0.028 4.287 4.320 -0.008 0.000 0.204 617 K C 1.881 178.409 176.600 -0.119 0.000 1.050 617 K CA 1.159 57.372 56.287 -0.122 0.000 0.942 617 K CB -0.187 32.299 32.500 -0.023 0.000 0.724 617 K HN 0.348 nan 8.250 nan 0.000 0.446 618 M N 0.453 119.933 119.600 -0.200 0.000 2.254 618 M HA -0.058 4.417 4.480 -0.008 0.000 0.265 618 M C 2.049 178.278 176.300 -0.118 0.000 1.066 618 M CA 1.320 56.548 55.300 -0.120 0.000 1.123 618 M CB -0.528 31.992 32.600 -0.132 0.000 1.388 618 M HN 0.127 nan 8.290 nan 0.000 0.425 619 I N -0.264 120.201 120.570 -0.176 0.000 2.315 619 I HA -0.285 3.880 4.170 -0.008 0.000 0.248 619 I C 2.263 178.257 176.117 -0.206 0.000 1.117 619 I CA 0.989 62.179 61.300 -0.182 0.000 1.404 619 I CB -0.246 37.645 38.000 -0.181 0.000 1.071 619 I HN 0.169 nan 8.210 nan 0.000 0.419 620 I N 0.674 121.105 120.570 -0.231 0.000 2.179 620 I HA -0.296 3.869 4.170 -0.008 0.000 0.242 620 I C 2.606 178.455 176.117 -0.447 0.000 1.088 620 I CA 1.203 62.284 61.300 -0.365 0.000 1.357 620 I CB -0.293 37.460 38.000 -0.412 0.000 1.051 620 I HN 0.145 nan 8.210 nan 0.000 0.409 621 K N 1.413 121.556 120.400 -0.429 0.000 2.063 621 K HA -0.215 4.100 4.320 -0.008 0.000 0.208 621 K C 1.982 178.418 176.600 -0.274 0.000 1.048 621 K CA 1.576 57.531 56.287 -0.554 0.000 0.928 621 K CB -0.627 31.294 32.500 -0.965 0.000 0.713 621 K HN 0.130 nan 8.250 nan 0.000 0.442 622 L N 0.715 121.806 121.223 -0.221 0.000 2.046 622 L HA -0.054 4.281 4.340 -0.008 0.000 0.208 622 L C 2.021 178.643 176.870 -0.412 0.000 1.077 622 L CA 1.665 56.196 54.840 -0.516 0.000 0.747 622 L CB -0.415 41.246 42.059 -0.664 0.000 0.896 622 L HN 0.298 nan 8.230 nan 0.000 0.432 623 I N -0.631 119.759 120.570 -0.300 0.000 2.163 623 I HA -0.329 3.836 4.170 -0.008 0.000 0.243 623 I C 2.431 178.441 176.117 -0.177 0.000 1.085 623 I CA 1.857 63.035 61.300 -0.204 0.000 1.347 623 I CB -0.878 37.093 38.000 -0.049 0.000 1.044 623 I HN 0.493 nan 8.210 nan 0.000 0.408 624 T N -0.853 113.571 114.554 -0.217 0.000 2.867 624 T HA -0.048 4.297 4.350 -0.008 0.000 0.268 624 T C 1.975 176.604 174.700 -0.120 0.000 1.057 624 T CA 0.901 62.902 62.100 -0.165 0.000 1.136 624 T CB -0.427 68.297 68.868 -0.240 0.000 0.874 624 T HN 0.340 nan 8.240 nan 0.000 0.466 625 A N 1.567 124.309 122.820 -0.130 0.000 1.930 625 A HA 0.149 4.464 4.320 -0.008 0.000 0.217 625 A C 2.381 179.958 177.584 -0.012 0.000 1.175 625 A CA 1.245 53.272 52.037 -0.017 0.000 0.627 625 A CB -0.803 18.275 19.000 0.129 0.000 0.815 625 A HN 0.589 nan 8.150 nan 0.000 0.443 626 I N -0.354 120.096 120.570 -0.201 0.000 2.226 626 I HA -0.188 3.977 4.170 -0.008 0.000 0.245 626 I C 2.683 178.736 176.117 -0.108 0.000 1.100 626 I CA 1.077 62.218 61.300 -0.266 0.000 1.374 626 I CB -0.592 37.140 38.000 -0.447 0.000 1.057 626 I HN 0.400 nan 8.210 nan 0.000 0.413 627 G N 0.437 109.179 108.800 -0.098 0.000 2.418 627 G HA2 -0.247 3.708 3.960 -0.008 0.000 0.217 627 G HA3 -0.247 3.708 3.960 -0.008 0.000 0.217 627 G C 1.239 176.128 174.900 -0.018 0.000 1.158 627 G CA 0.856 45.914 45.100 -0.070 0.000 0.771 627 G HN 0.272 nan 8.290 nan 0.000 0.545 628 D N 0.088 120.515 120.400 0.046 0.000 2.149 628 D HA -0.094 4.541 4.640 -0.008 0.000 0.198 628 D C 2.713 179.140 176.300 0.212 0.000 0.990 628 D CA 0.783 54.881 54.000 0.162 0.000 0.839 628 D CB -0.236 40.613 40.800 0.083 0.000 0.948 628 D HN 0.249 nan 8.370 nan 0.000 0.460 629 V N 0.128 120.099 119.914 0.094 0.000 2.331 629 V HA -0.136 3.979 4.120 -0.008 0.000 0.242 629 V C 2.608 178.678 176.094 -0.040 0.000 1.034 629 V CA 0.762 63.077 62.300 0.025 0.000 1.027 629 V CB -0.353 31.479 31.823 0.015 0.000 0.667 629 V HN 0.027 nan 8.190 nan 0.000 0.457 630 V N 1.046 120.869 119.914 -0.151 0.000 2.343 630 V HA -0.221 3.894 4.120 -0.008 0.000 0.247 630 V C 2.146 178.205 176.094 -0.058 0.000 1.051 630 V CA 2.081 64.288 62.300 -0.156 0.000 1.036 630 V CB -0.897 30.824 31.823 -0.171 0.000 0.654 630 V HN 0.573 nan 8.190 nan 0.000 0.451 631 N N -0.357 118.249 118.700 -0.157 0.000 2.512 631 N HA -0.086 4.649 4.740 -0.008 0.000 0.183 631 N C 1.176 176.403 175.510 -0.472 0.000 1.073 631 N CA 0.902 53.761 53.050 -0.318 0.000 0.911 631 N CB -0.261 37.961 38.487 -0.442 0.000 0.964 631 N HN 0.694 nan 8.380 nan 0.000 0.447 632 H N -1.489 117.581 119.070 0.000 0.000 2.784 632 H HA 0.193 4.744 4.556 -0.008 0.000 0.273 632 H C -0.492 174.853 175.328 0.028 0.000 1.112 632 H CA -0.490 55.559 56.048 0.002 0.000 1.162 632 H CB 0.639 30.392 29.762 -0.017 0.000 1.586 632 H HN -0.010 nan 8.280 nan 0.000 0.548 633 D N 1.763 122.242 120.400 0.132 0.000 2.339 633 D HA 0.038 4.673 4.640 -0.008 0.000 0.241 633 D C -1.640 174.721 176.300 0.102 0.000 1.183 633 D CA -1.998 52.095 54.000 0.155 0.000 0.859 633 D CB 1.612 42.586 40.800 0.291 0.000 1.067 633 D HN 0.090 nan 8.370 nan 0.000 0.484 634 P HA -0.166 nan 4.420 nan 0.000 0.216 634 P C 1.612 178.935 177.300 0.039 0.000 1.153 634 P CA 0.546 63.676 63.100 0.050 0.000 0.858 634 P CB 0.387 32.112 31.700 0.042 0.000 0.789 635 V N -0.672 119.264 119.914 0.036 0.000 2.490 635 V HA -0.188 3.927 4.120 -0.008 0.000 0.250 635 V C 2.411 178.507 176.094 0.005 0.000 1.061 635 V CA 1.627 63.933 62.300 0.011 0.000 1.064 635 V CB -1.077 30.739 31.823 -0.012 0.000 0.670 635 V HN -0.010 nan 8.190 nan 0.000 0.461 636 V N -0.265 119.668 119.914 0.032 0.000 2.358 636 V HA 0.092 4.207 4.120 -0.008 0.000 0.246 636 V C 1.786 177.889 176.094 0.015 0.000 1.047 636 V CA 1.480 63.798 62.300 0.029 0.000 1.035 636 V CB -1.296 30.592 31.823 0.108 0.000 0.658 636 V HN 0.748 nan 8.190 nan 0.000 0.452 637 G N 1.488 110.302 108.800 0.023 0.000 2.550 637 G HA2 -0.397 3.558 3.960 -0.008 0.000 0.277 637 G HA3 -0.397 3.558 3.960 -0.008 0.000 0.277 637 G C 0.208 175.114 174.900 0.009 0.000 1.190 637 G CA 0.560 45.669 45.100 0.016 0.000 0.971 637 G HN 0.746 nan 8.290 nan 0.000 0.559 638 D N -0.225 120.183 120.400 0.012 0.000 2.395 638 D HA 0.312 4.947 4.640 -0.008 0.000 0.226 638 D C 1.832 178.130 176.300 -0.002 0.000 1.146 638 D CA 0.176 54.183 54.000 0.012 0.000 0.830 638 D CB 0.141 40.960 40.800 0.031 0.000 0.958 638 D HN 0.548 nan 8.370 nan 0.000 0.501 639 R N -0.603 119.885 120.500 -0.020 0.000 2.161 639 R HA 0.221 4.556 4.340 -0.008 0.000 0.213 639 R C -0.185 176.077 176.300 -0.065 0.000 1.055 639 R CA 0.310 56.376 56.100 -0.058 0.000 0.996 639 R CB 0.185 30.435 30.300 -0.084 0.000 0.901 639 R HN 0.208 nan 8.270 nan 0.000 0.456 640 L N 0.664 121.865 121.223 -0.037 0.000 2.505 640 L HA 0.397 4.732 4.340 -0.008 0.000 0.266 640 L C -1.648 175.201 176.870 -0.035 0.000 0.954 640 L CA -0.543 54.273 54.840 -0.040 0.000 0.852 640 L CB 1.813 43.859 42.059 -0.021 0.000 1.282 640 L HN -0.192 nan 8.230 nan 0.000 0.403 641 R N 3.805 124.273 120.500 -0.054 0.000 2.628 641 R HA 0.780 5.115 4.340 -0.008 0.000 0.288 641 R C -1.596 174.653 176.300 -0.086 0.000 0.980 641 R CA -0.803 55.254 56.100 -0.071 0.000 0.891 641 R CB 2.354 32.615 30.300 -0.065 0.000 1.188 641 R HN 0.402 nan 8.270 nan 0.000 0.450 642 V N 4.741 124.600 119.914 -0.092 0.000 2.376 642 V HA 0.470 4.585 4.120 -0.008 0.000 0.287 642 V C -0.304 175.745 176.094 -0.075 0.000 1.015 642 V CA -0.676 61.570 62.300 -0.090 0.000 0.834 642 V CB 1.526 33.290 31.823 -0.098 0.000 1.001 642 V HN 0.534 nan 8.190 nan 0.000 0.428 643 I N 4.868 125.393 120.570 -0.075 0.000 2.509 643 I HA 0.464 4.629 4.170 -0.008 0.000 0.293 643 I C -0.685 175.411 176.117 -0.035 0.000 1.020 643 I CA -0.393 60.874 61.300 -0.053 0.000 1.088 643 I CB 1.945 39.894 38.000 -0.085 0.000 1.267 643 I HN 0.556 nan 8.210 nan 0.000 0.430 644 F N 6.978 126.861 119.950 -0.111 0.000 2.385 644 F HA 0.517 5.040 4.527 -0.008 0.000 0.360 644 F C -0.539 175.194 175.800 -0.111 0.000 1.122 644 F CA -0.588 57.348 58.000 -0.107 0.000 1.090 644 F CB 0.582 39.521 39.000 -0.102 0.000 1.150 644 F HN 0.196 nan 8.300 nan 0.000 0.472 645 L N 6.217 127.050 121.223 -0.650 0.000 2.407 645 L HA 0.161 4.496 4.340 -0.008 0.000 0.282 645 L C 0.477 177.095 176.870 -0.421 0.000 1.110 645 L CA -0.009 54.579 54.840 -0.420 0.000 0.863 645 L CB 0.289 42.190 42.059 -0.264 0.000 1.207 645 L HN 0.649 nan 8.230 nan 0.000 0.454 646 E N 3.988 124.079 120.200 -0.182 0.000 2.392 646 E HA -0.082 4.263 4.350 -0.008 0.000 0.264 646 E C 0.473 177.145 176.600 0.119 0.000 1.024 646 E CA -0.329 56.113 56.400 0.069 0.000 0.903 646 E CB 0.425 30.135 29.700 0.017 0.000 0.963 646 E HN 0.560 nan 8.360 nan 0.000 0.432 647 N N 2.612 121.447 118.700 0.224 0.000 2.725 647 N HA -0.286 4.449 4.740 -0.008 0.000 0.251 647 N C -1.496 174.123 175.510 0.183 0.000 1.031 647 N CA 0.551 53.728 53.050 0.211 0.000 0.720 647 N CB -1.581 37.045 38.487 0.233 0.000 0.930 647 N HN 0.482 nan 8.380 nan 0.000 0.543 648 Y N 1.430 121.750 120.300 0.034 0.000 2.721 648 Y HA 0.122 4.667 4.550 -0.009 0.000 0.329 648 Y C 1.106 177.035 175.900 0.048 0.000 1.211 648 Y CA 0.702 58.808 58.100 0.009 0.000 1.512 648 Y CB 0.276 38.709 38.460 -0.046 0.000 1.249 648 Y HN 0.391 nan 8.280 nan 0.000 0.549 649 R N 2.915 123.116 120.500 -0.497 0.000 2.781 649 R HA 0.460 4.795 4.340 -0.008 0.000 0.268 649 R C -0.576 175.410 176.300 -0.524 0.000 1.047 649 R CA -0.467 55.412 56.100 -0.368 0.000 0.925 649 R CB 0.387 30.640 30.300 -0.077 0.000 1.246 649 R HN 0.396 nan 8.270 nan 0.000 0.456 650 V N 1.189 120.848 119.914 -0.424 0.000 2.287 650 V HA -0.277 3.838 4.120 -0.008 0.000 0.248 650 V C 2.587 178.567 176.094 -0.191 0.000 1.053 650 V CA 2.791 64.885 62.300 -0.343 0.000 1.027 650 V CB -0.818 30.781 31.823 -0.374 0.000 0.646 650 V HN 0.906 nan 8.190 nan 0.000 0.447 651 S N 0.126 115.736 115.700 -0.150 0.000 2.399 651 S HA -0.188 4.277 4.470 -0.008 0.000 0.231 651 S C 1.932 176.494 174.600 -0.065 0.000 1.022 651 S CA 1.733 59.874 58.200 -0.098 0.000 0.983 651 S CB -0.534 62.638 63.200 -0.046 0.000 0.803 651 S HN 0.401 nan 8.310 nan 0.000 0.480 652 L N 1.846 123.035 121.223 -0.055 0.000 2.156 652 L HA 0.350 4.685 4.340 -0.008 0.000 0.208 652 L C 2.642 179.529 176.870 0.027 0.000 1.095 652 L CA 1.340 56.189 54.840 0.015 0.000 0.770 652 L CB -1.224 40.901 42.059 0.110 0.000 0.914 652 L HN 0.354 nan 8.230 nan 0.000 0.439 653 A N -0.652 122.158 122.820 -0.017 0.000 1.933 653 A HA -0.220 4.095 4.320 -0.008 0.000 0.218 653 A C 2.111 179.760 177.584 0.108 0.000 1.175 653 A CA 1.757 53.861 52.037 0.112 0.000 0.628 653 A CB -0.581 18.464 19.000 0.075 0.000 0.814 653 A HN 0.600 nan 8.150 nan 0.000 0.444 654 E N -0.394 119.848 120.200 0.070 0.000 2.338 654 E HA -0.151 4.194 4.350 -0.008 0.000 0.197 654 E C 1.817 178.388 176.600 -0.049 0.000 1.007 654 E CA 1.109 57.508 56.400 -0.003 0.000 0.849 654 E CB -0.039 29.568 29.700 -0.155 0.000 0.774 654 E HN 0.625 nan 8.360 nan 0.000 0.506 655 K N 0.051 120.406 120.400 -0.075 0.000 2.141 655 K HA 0.034 4.349 4.320 -0.008 0.000 0.202 655 K C 2.150 178.567 176.600 -0.305 0.000 1.045 655 K CA 0.410 56.636 56.287 -0.101 0.000 0.971 655 K CB 0.028 32.477 32.500 -0.085 0.000 0.795 655 K HN -0.050 nan 8.250 nan 0.000 0.459 656 V N 1.929 121.566 119.914 -0.462 0.000 2.591 656 V HA -0.115 4.000 4.120 -0.008 0.000 0.249 656 V C 1.868 177.706 176.094 -0.426 0.000 1.053 656 V CA 1.173 62.962 62.300 -0.852 0.000 1.068 656 V CB -0.173 31.267 31.823 -0.638 0.000 0.689 656 V HN 0.238 nan 8.190 nan 0.000 0.462 657 I N 0.700 121.082 120.570 -0.313 0.000 2.179 657 I HA -0.128 4.037 4.170 -0.008 0.000 0.242 657 I C -0.256 175.743 176.117 -0.196 0.000 1.088 657 I CA 1.616 62.665 61.300 -0.419 0.000 1.357 657 I CB -1.494 36.142 38.000 -0.606 0.000 1.051 657 I HN 0.364 nan 8.210 nan 0.000 0.409 658 P HA -0.104 nan 4.420 nan 0.000 0.225 658 P C 0.957 178.254 177.300 -0.004 0.000 1.148 658 P CA 1.183 64.259 63.100 -0.040 0.000 0.779 658 P CB 0.055 31.740 31.700 -0.024 0.000 0.780 659 A N -1.201 121.597 122.820 -0.036 0.000 2.275 659 A HA 0.470 4.785 4.320 -0.008 0.000 0.212 659 A C 1.161 178.858 177.584 0.189 0.000 1.201 659 A CA 0.096 52.172 52.037 0.066 0.000 0.843 659 A CB -0.640 18.399 19.000 0.066 0.000 0.873 659 A HN 0.191 nan 8.150 nan 0.000 0.492 660 A N -0.152 122.771 122.820 0.172 0.000 2.340 660 A HA 0.482 4.797 4.320 -0.008 0.000 0.268 660 A C 0.353 178.090 177.584 0.256 0.000 1.100 660 A CA -0.142 52.062 52.037 0.278 0.000 0.803 660 A CB 0.367 19.625 19.000 0.430 0.000 1.043 660 A HN 0.265 nan 8.150 nan 0.000 0.488 661 D N 0.054 120.602 120.400 0.248 0.000 2.431 661 D HA 0.118 4.753 4.640 -0.008 0.000 0.235 661 D C -0.285 176.235 176.300 0.367 0.000 0.980 661 D CA 0.767 54.964 54.000 0.328 0.000 0.912 661 D CB 0.265 41.169 40.800 0.175 0.000 1.056 661 D HN 0.339 nan 8.370 nan 0.000 0.494 662 L N 0.644 121.964 121.223 0.162 0.000 2.356 662 L HA 0.370 4.705 4.340 -0.008 0.000 0.277 662 L C -0.757 175.990 176.870 -0.205 0.000 0.996 662 L CA -0.533 54.324 54.840 0.028 0.000 0.822 662 L CB 2.090 44.145 42.059 -0.007 0.000 1.256 662 L HN -0.278 nan 8.230 nan 0.000 0.413 663 S N 4.123 119.614 115.700 -0.350 0.000 2.429 663 S HA 0.455 4.920 4.470 -0.008 0.000 0.302 663 S C -0.622 173.703 174.600 -0.458 0.000 1.115 663 S CA -0.643 57.104 58.200 -0.755 0.000 1.095 663 S CB 0.376 63.083 63.200 -0.822 0.000 0.987 663 S HN 0.622 nan 8.310 nan 0.000 0.474 664 E N 4.137 124.078 120.200 -0.432 0.000 2.089 664 E HA 0.208 4.553 4.350 -0.008 0.000 0.284 664 E C -0.548 175.940 176.600 -0.187 0.000 1.023 664 E CA -0.400 55.872 56.400 -0.213 0.000 0.819 664 E CB 0.972 30.574 29.700 -0.162 0.000 1.076 664 E HN 0.595 nan 8.360 nan 0.000 0.396 665 Q N 2.776 122.521 119.800 -0.091 0.000 2.907 665 Q HA 0.269 4.604 4.340 -0.008 0.000 0.262 665 Q C 0.594 176.583 176.000 -0.018 0.000 0.997 665 Q CA -0.139 55.624 55.803 -0.066 0.000 0.797 665 Q CB 0.246 28.959 28.738 -0.042 0.000 1.228 665 Q HN 0.611 nan 8.270 nan 0.000 0.466 666 I N -1.614 118.932 120.570 -0.040 0.000 3.736 666 I HA 0.278 4.443 4.170 -0.008 0.000 0.338 666 I C 0.412 176.478 176.117 -0.085 0.000 1.558 666 I CA -0.668 60.618 61.300 -0.025 0.000 1.147 666 I CB 0.337 38.327 38.000 -0.017 0.000 1.275 666 I HN -0.001 nan 8.210 nan 0.000 0.454 667 S N 0.326 115.976 115.700 -0.083 0.000 2.584 667 S HA 0.209 4.674 4.470 -0.008 0.000 0.270 667 S C 0.553 175.134 174.600 -0.031 0.000 1.346 667 S CA -0.295 57.875 58.200 -0.050 0.000 1.018 667 S CB 0.462 63.682 63.200 0.033 0.000 0.899 667 S HN 0.382 nan 8.310 nan 0.000 0.542 668 T N 2.556 117.126 114.554 0.028 0.000 2.888 668 T HA 0.415 4.760 4.350 -0.008 0.000 0.301 668 T C 0.720 175.429 174.700 0.016 0.000 1.001 668 T CA 0.202 62.324 62.100 0.037 0.000 1.147 668 T CB 0.138 69.101 68.868 0.158 0.000 0.931 668 T HN 1.000 nan 8.240 nan 0.000 0.541 669 A N 2.606 125.405 122.820 -0.036 0.000 2.580 669 A HA 0.443 4.758 4.320 -0.008 0.000 0.244 669 A C 1.633 179.209 177.584 -0.014 0.000 1.045 669 A CA 0.344 52.355 52.037 -0.042 0.000 0.761 669 A CB -0.938 18.026 19.000 -0.061 0.000 0.962 669 A HN 1.680 nan 8.150 nan 0.000 0.512 670 G N 1.452 110.241 108.800 -0.017 0.000 2.176 670 G HA2 -0.242 3.713 3.960 -0.008 0.000 0.232 670 G HA3 -0.242 3.713 3.960 -0.008 0.000 0.232 670 G C 0.856 175.740 174.900 -0.027 0.000 0.986 670 G CA 1.118 46.210 45.100 -0.015 0.000 0.643 670 G HN 1.970 nan 8.290 nan 0.000 0.522 671 T N -2.494 112.040 114.554 -0.034 0.000 3.038 671 T HA 0.402 4.747 4.350 -0.008 0.000 0.244 671 T C 0.765 175.296 174.700 -0.281 0.000 1.016 671 T CA 1.042 63.050 62.100 -0.153 0.000 1.098 671 T CB 0.516 69.335 68.868 -0.080 0.000 0.954 671 T HN 0.263 nan 8.240 nan 0.000 0.469 672 E N 1.640 121.810 120.200 -0.050 0.000 2.052 672 E HA 0.651 4.996 4.350 -0.008 0.000 0.283 672 E C 1.179 177.720 176.600 -0.098 0.000 1.071 672 E CA 0.082 56.496 56.400 0.024 0.000 0.851 672 E CB 0.741 30.513 29.700 0.120 0.000 1.066 672 E HN 0.356 nan 8.360 nan 0.000 0.396 673 A N 3.425 126.108 122.820 -0.229 0.000 1.903 673 A HA -0.246 4.069 4.320 -0.008 0.000 0.219 673 A C 1.985 179.438 177.584 -0.218 0.000 1.191 673 A CA 2.382 54.147 52.037 -0.454 0.000 0.638 673 A CB -0.305 18.222 19.000 -0.788 0.000 0.823 673 A HN 0.609 nan 8.150 nan 0.000 0.451 674 S N -4.089 111.545 115.700 -0.110 0.000 3.984 674 S HA 0.458 4.923 4.470 -0.008 0.000 0.221 674 S C 0.632 175.220 174.600 -0.020 0.000 1.149 674 S CA 1.391 59.573 58.200 -0.030 0.000 0.950 674 S CB -0.029 63.180 63.200 0.014 0.000 1.216 674 S HN 2.312 nan 8.310 nan 0.000 0.547 675 G N 0.283 109.076 108.800 -0.011 0.000 2.719 675 G HA2 -0.010 3.945 3.960 -0.008 0.000 0.686 675 G HA3 -0.010 3.945 3.960 -0.008 0.000 0.686 675 G C 0.213 175.093 174.900 -0.033 0.000 1.201 675 G CA 0.458 45.548 45.100 -0.016 0.000 0.768 675 G HN 1.303 nan 8.290 nan 0.000 0.629 676 T N -1.992 112.528 114.554 -0.057 0.000 3.010 676 T HA 0.373 4.718 4.350 -0.008 0.000 0.253 676 T C 2.364 176.963 174.700 -0.169 0.000 0.939 676 T CA 1.266 63.304 62.100 -0.103 0.000 0.910 676 T CB 0.293 69.091 68.868 -0.116 0.000 1.226 676 T HN 1.893 nan 8.240 nan 0.000 0.508 677 G N 3.099 111.825 108.800 -0.123 0.000 2.442 677 G HA2 -0.258 3.697 3.960 -0.008 0.000 0.219 677 G HA3 -0.258 3.697 3.960 -0.008 0.000 0.219 677 G C 1.461 176.402 174.900 0.067 0.000 1.141 677 G CA 1.162 46.204 45.100 -0.096 0.000 0.763 677 G HN 0.834 nan 8.290 nan 0.000 0.554 678 N N 0.147 118.874 118.700 0.045 0.000 2.094 678 N HA -0.163 4.572 4.740 -0.008 0.000 0.191 678 N C 2.211 177.726 175.510 0.009 0.000 1.023 678 N CA 1.387 54.470 53.050 0.055 0.000 0.857 678 N CB -0.364 38.108 38.487 -0.024 0.000 1.013 678 N HN 0.348 nan 8.380 nan 0.000 0.426 679 M N 0.785 120.323 119.600 -0.104 0.000 2.175 679 M HA -0.031 4.444 4.480 -0.008 0.000 0.264 679 M C 2.012 178.265 176.300 -0.078 0.000 1.063 679 M CA 1.453 56.676 55.300 -0.129 0.000 1.119 679 M CB -0.080 32.453 32.600 -0.111 0.000 1.377 679 M HN 0.113 nan 8.290 nan 0.000 0.415 680 K N 0.001 120.281 120.400 -0.200 0.000 2.057 680 K HA -0.117 4.198 4.320 -0.008 0.000 0.207 680 K C 1.711 178.189 176.600 -0.203 0.000 1.049 680 K CA 1.388 57.492 56.287 -0.306 0.000 0.931 680 K CB -0.297 31.786 32.500 -0.695 0.000 0.714 680 K HN 0.155 nan 8.250 nan 0.000 0.440 681 F N 1.111 120.994 119.950 -0.111 0.000 2.146 681 F HA -0.111 4.411 4.527 -0.009 0.000 0.298 681 F C 2.565 178.343 175.800 -0.037 0.000 1.096 681 F CA 1.186 59.146 58.000 -0.068 0.000 1.275 681 F CB -0.302 38.647 39.000 -0.086 0.000 1.008 681 F HN -0.010 nan 8.300 nan 0.000 0.480 682 M N -0.477 119.212 119.600 0.149 0.000 2.117 682 M HA -0.190 4.285 4.480 -0.008 0.000 0.262 682 M C 2.093 178.453 176.300 0.099 0.000 1.065 682 M CA 1.561 56.922 55.300 0.102 0.000 1.114 682 M CB -0.229 32.427 32.600 0.093 0.000 1.361 682 M HN 0.260 nan 8.290 nan 0.000 0.408 683 L N 0.831 122.109 121.223 0.092 0.000 2.201 683 L HA -0.075 4.260 4.340 -0.008 0.000 0.212 683 L C 1.296 178.215 176.870 0.083 0.000 1.105 683 L CA 1.610 56.512 54.840 0.102 0.000 0.775 683 L CB -0.630 41.499 42.059 0.116 0.000 0.913 683 L HN 0.346 nan 8.230 nan 0.000 0.440 684 N N -0.091 118.647 118.700 0.064 0.000 2.276 684 N HA 0.164 4.899 4.740 -0.008 0.000 0.212 684 N C 0.843 176.393 175.510 0.067 0.000 1.127 684 N CA 0.783 53.865 53.050 0.053 0.000 0.834 684 N CB 0.472 38.967 38.487 0.013 0.000 1.014 684 N HN 0.421 nan 8.380 nan 0.000 0.491 685 G N 0.456 109.302 108.800 0.075 0.000 2.142 685 G HA2 -0.198 3.757 3.960 -0.008 0.000 0.225 685 G HA3 -0.198 3.757 3.960 -0.008 0.000 0.225 685 G C -0.032 174.942 174.900 0.123 0.000 1.015 685 G CA 0.146 45.292 45.100 0.078 0.000 0.716 685 G HN 0.527 nan 8.290 nan 0.000 0.508 686 A N -0.351 122.550 122.820 0.135 0.000 2.340 686 A HA 0.893 5.208 4.320 -0.008 0.000 0.331 686 A C 0.323 177.916 177.584 0.015 0.000 1.140 686 A CA -0.666 51.469 52.037 0.163 0.000 0.801 686 A CB 1.147 20.306 19.000 0.265 0.000 1.234 686 A HN 0.687 nan 8.150 nan 0.000 0.469 687 L N 0.717 121.908 121.223 -0.054 0.000 2.399 687 L HA 0.481 4.816 4.340 -0.008 0.000 0.265 687 L C 0.157 176.890 176.870 -0.229 0.000 1.089 687 L CA -0.381 54.317 54.840 -0.237 0.000 0.802 687 L CB 1.598 43.420 42.059 -0.394 0.000 1.180 687 L HN 0.697 nan 8.230 nan 0.000 0.454 688 T N 2.526 116.807 114.554 -0.454 0.000 2.797 688 T HA 0.471 4.816 4.350 -0.008 0.000 0.279 688 T C -0.476 174.071 174.700 -0.255 0.000 0.991 688 T CA -0.263 61.548 62.100 -0.482 0.000 0.979 688 T CB 1.583 69.947 68.868 -0.839 0.000 0.943 688 T HN 0.360 nan 8.240 nan 0.000 0.444 689 I N 2.893 123.423 120.570 -0.066 0.000 2.362 689 I HA 0.735 4.900 4.170 -0.008 0.000 0.289 689 I C 0.060 176.323 176.117 0.243 0.000 0.994 689 I CA 0.093 61.476 61.300 0.138 0.000 1.158 689 I CB 0.351 38.365 38.000 0.023 0.000 1.315 689 I HN 0.790 nan 8.210 nan 0.000 0.451 690 G N 3.933 112.961 108.800 0.380 0.000 2.559 690 G HA2 0.443 4.398 3.960 -0.008 0.000 0.291 690 G HA3 0.443 4.398 3.960 -0.008 0.000 0.291 690 G C -0.950 173.889 174.900 -0.101 0.000 1.424 690 G CA -0.348 44.891 45.100 0.232 0.000 0.786 690 G HN 0.588 nan 8.290 nan 0.000 0.485 691 T N -1.473 112.895 114.554 -0.310 0.000 2.874 691 T HA 0.529 4.874 4.350 -0.008 0.000 0.281 691 T C 0.690 175.280 174.700 -0.184 0.000 0.994 691 T CA -0.684 61.155 62.100 -0.436 0.000 1.015 691 T CB 1.181 69.805 68.868 -0.406 0.000 1.028 691 T HN 0.264 nan 8.240 nan 0.000 0.523 692 M N 2.882 122.383 119.600 -0.166 0.000 3.436 692 M HA 0.331 4.806 4.480 -0.008 0.000 0.240 692 M C -0.475 175.774 176.300 -0.086 0.000 1.469 692 M CA -0.067 55.171 55.300 -0.103 0.000 1.622 692 M CB -1.687 30.859 32.600 -0.089 0.000 1.098 692 M HN 0.736 nan 8.290 nan 0.000 0.568 693 D N -0.042 120.314 120.400 -0.074 0.000 2.601 693 D HA 0.684 5.319 4.640 -0.008 0.000 0.230 693 D C 0.690 176.967 176.300 -0.038 0.000 1.106 693 D CA 0.683 54.652 54.000 -0.051 0.000 0.873 693 D CB 1.765 42.535 40.800 -0.049 0.000 1.515 693 D HN 0.598 nan 8.370 nan 0.000 0.468 694 G N 1.484 110.269 108.800 -0.024 0.000 2.602 694 G HA2 -0.249 3.706 3.960 -0.008 0.000 0.306 694 G HA3 -0.249 3.706 3.960 -0.008 0.000 0.306 694 G C 1.062 175.953 174.900 -0.016 0.000 1.301 694 G CA 1.141 46.231 45.100 -0.017 0.000 0.974 694 G HN 1.060 nan 8.290 nan 0.000 0.547 695 A N -0.463 122.344 122.820 -0.022 0.000 2.172 695 A HA 0.032 4.347 4.320 -0.008 0.000 0.216 695 A C 2.143 179.659 177.584 -0.113 0.000 1.154 695 A CA 1.993 54.009 52.037 -0.035 0.000 0.701 695 A CB -0.484 18.481 19.000 -0.057 0.000 0.789 695 A HN 0.641 nan 8.150 nan 0.000 0.465 696 N N 0.469 119.113 118.700 -0.093 0.000 2.137 696 N HA -0.151 4.583 4.740 -0.008 0.000 0.190 696 N C 1.588 176.976 175.510 -0.204 0.000 1.017 696 N CA 1.597 54.587 53.050 -0.100 0.000 0.859 696 N CB -0.626 37.857 38.487 -0.007 0.000 1.002 696 N HN 0.298 nan 8.380 nan 0.000 0.428 697 V N 1.291 121.127 119.914 -0.130 0.000 2.287 697 V HA -0.215 3.900 4.120 -0.008 0.000 0.248 697 V C 1.969 177.986 176.094 -0.128 0.000 1.053 697 V CA 1.692 63.914 62.300 -0.130 0.000 1.027 697 V CB -0.491 31.289 31.823 -0.070 0.000 0.646 697 V HN 0.359 nan 8.190 nan 0.000 0.447 698 E N -0.579 119.597 120.200 -0.040 0.000 2.152 698 E HA -0.135 4.210 4.350 -0.008 0.000 0.192 698 E C 2.212 178.898 176.600 0.144 0.000 0.983 698 E CA 1.060 57.508 56.400 0.081 0.000 0.818 698 E CB -0.187 29.650 29.700 0.228 0.000 0.758 698 E HN 0.545 nan 8.360 nan 0.000 0.467 699 M N 0.505 120.062 119.600 -0.070 0.000 2.086 699 M HA -0.135 4.340 4.480 -0.008 0.000 0.261 699 M C 2.497 178.513 176.300 -0.473 0.000 1.067 699 M CA 1.532 56.704 55.300 -0.213 0.000 1.116 699 M CB -0.186 32.160 32.600 -0.424 0.000 1.348 699 M HN 0.134 nan 8.290 nan 0.000 0.407 700 A N -0.160 122.112 122.820 -0.913 0.000 1.933 700 A HA -0.210 4.105 4.320 -0.008 0.000 0.218 700 A C 1.987 179.358 177.584 -0.356 0.000 1.175 700 A CA 1.908 53.371 52.037 -0.956 0.000 0.628 700 A CB -0.772 17.736 19.000 -0.819 0.000 0.814 700 A HN 0.583 nan 8.150 nan 0.000 0.444 701 E N -0.391 119.676 120.200 -0.221 0.000 2.077 701 E HA -0.207 4.138 4.350 -0.008 0.000 0.193 701 E C 1.788 178.352 176.600 -0.059 0.000 0.989 701 E CA 1.220 57.556 56.400 -0.105 0.000 0.800 701 E CB -0.063 29.598 29.700 -0.065 0.000 0.746 701 E HN 0.545 nan 8.360 nan 0.000 0.452 702 E N 0.086 120.277 120.200 -0.015 0.000 2.072 702 E HA -0.130 4.215 4.350 -0.008 0.000 0.191 702 E C 1.849 178.464 176.600 0.024 0.000 0.985 702 E CA 1.150 57.565 56.400 0.026 0.000 0.801 702 E CB -0.164 29.608 29.700 0.119 0.000 0.750 702 E HN 0.358 nan 8.360 nan 0.000 0.452 703 A N 0.304 123.138 122.820 0.023 0.000 2.081 703 A HA 0.337 4.652 4.320 -0.008 0.000 0.214 703 A C 1.036 178.628 177.584 0.014 0.000 1.158 703 A CA 1.087 53.154 52.037 0.051 0.000 0.724 703 A CB 0.063 19.149 19.000 0.143 0.000 0.826 703 A HN 0.249 nan 8.150 nan 0.000 0.463 704 G N -0.438 108.343 108.800 -0.032 0.000 3.225 704 G HA2 -0.078 3.877 3.960 -0.008 0.000 0.686 704 G HA3 -0.078 3.877 3.960 -0.008 0.000 0.686 704 G C -0.040 174.837 174.900 -0.039 0.000 1.105 704 G CA -0.007 45.071 45.100 -0.036 0.000 0.831 704 G HN 0.250 nan 8.290 nan 0.000 0.578 705 E N 0.682 120.849 120.200 -0.056 0.000 2.219 705 E HA -0.214 4.131 4.350 -0.008 0.000 0.198 705 E C 2.254 178.837 176.600 -0.029 0.000 0.998 705 E CA 1.386 57.762 56.400 -0.040 0.000 0.818 705 E CB 0.098 29.774 29.700 -0.041 0.000 0.741 705 E HN 0.790 nan 8.360 nan 0.000 0.477 706 E N 0.835 121.006 120.200 -0.048 0.000 2.478 706 E HA -0.136 4.209 4.350 -0.008 0.000 0.198 706 E C 0.737 177.248 176.600 -0.149 0.000 1.046 706 E CA 0.665 57.015 56.400 -0.084 0.000 0.870 706 E CB -0.054 29.611 29.700 -0.058 0.000 0.818 706 E HN 0.195 nan 8.360 nan 0.000 0.527 707 N N -0.274 118.365 118.700 -0.101 0.000 2.238 707 N HA 0.163 4.898 4.740 -0.008 0.000 0.222 707 N C -1.131 174.296 175.510 -0.140 0.000 1.133 707 N CA -0.015 52.949 53.050 -0.144 0.000 0.854 707 N CB 0.329 38.790 38.487 -0.043 0.000 1.041 707 N HN 0.027 nan 8.380 nan 0.000 0.510 708 F N -0.372 119.350 119.950 -0.381 0.000 2.588 708 F HA 0.428 4.949 4.527 -0.009 0.000 0.314 708 F C -0.789 174.756 175.800 -0.425 0.000 1.069 708 F CA -1.107 56.702 58.000 -0.318 0.000 0.931 708 F CB 1.338 40.253 39.000 -0.142 0.000 1.260 708 F HN -0.224 nan 8.300 nan 0.000 0.465 709 F N 4.802 124.746 119.950 -0.009 0.000 2.318 709 F HA 0.424 4.946 4.527 -0.008 0.000 0.356 709 F C -0.419 175.505 175.800 0.207 0.000 1.109 709 F CA -0.554 57.481 58.000 0.058 0.000 1.234 709 F CB -0.078 38.901 39.000 -0.036 0.000 1.545 709 F HN 0.023 nan 8.300 nan 0.000 0.534 710 I N 3.659 124.428 120.570 0.333 0.000 2.472 710 I HA 0.425 4.590 4.170 -0.008 0.000 0.290 710 I C -0.104 176.203 176.117 0.316 0.000 1.016 710 I CA -0.476 60.987 61.300 0.272 0.000 1.348 710 I CB 0.545 38.627 38.000 0.137 0.000 1.417 710 I HN 0.345 nan 8.210 nan 0.000 0.521 711 F N 2.536 122.551 119.950 0.108 0.000 2.779 711 F HA 0.900 5.421 4.527 -0.009 0.000 0.316 711 F C 0.023 175.864 175.800 0.068 0.000 1.164 711 F CA -0.633 57.421 58.000 0.091 0.000 0.924 711 F CB 0.742 39.809 39.000 0.111 0.000 1.348 711 F HN 0.902 nan 8.300 nan 0.000 0.467 712 G N 0.917 109.765 108.800 0.081 0.000 2.796 712 G HA2 -0.073 3.882 3.960 -0.008 0.000 0.571 712 G HA3 -0.073 3.882 3.960 -0.008 0.000 0.571 712 G C -0.853 174.011 174.900 -0.060 0.000 1.370 712 G CA -0.553 44.524 45.100 -0.039 0.000 0.856 712 G HN 0.957 nan 8.290 nan 0.000 0.538 713 M N 0.659 120.236 119.600 -0.038 0.000 2.248 713 M HA 0.307 4.782 4.480 -0.008 0.000 0.337 713 M C 1.147 177.411 176.300 -0.060 0.000 1.121 713 M CA 0.013 55.300 55.300 -0.021 0.000 1.155 713 M CB 0.369 32.967 32.600 -0.004 0.000 1.514 713 M HN 0.515 nan 8.290 nan 0.000 0.452 714 R N 1.273 121.752 120.500 -0.035 0.000 2.608 714 R HA 0.321 4.656 4.340 -0.008 0.000 0.255 714 R C 1.203 177.484 176.300 -0.032 0.000 1.086 714 R CA -0.608 55.466 56.100 -0.043 0.000 1.125 714 R CB 0.180 30.462 30.300 -0.030 0.000 1.193 714 R HN 0.579 nan 8.270 nan 0.000 0.553 715 V N 1.538 121.432 119.914 -0.033 0.000 2.324 715 V HA -0.286 3.829 4.120 -0.008 0.000 0.250 715 V C 1.825 177.908 176.094 -0.017 0.000 1.060 715 V CA 2.076 64.360 62.300 -0.026 0.000 1.042 715 V CB -0.466 31.340 31.823 -0.028 0.000 0.650 715 V HN 0.634 nan 8.190 nan 0.000 0.450 716 E N 0.110 120.301 120.200 -0.014 0.000 2.110 716 E HA -0.183 4.162 4.350 -0.008 0.000 0.193 716 E C 1.968 178.572 176.600 0.006 0.000 0.988 716 E CA 1.367 57.764 56.400 -0.005 0.000 0.804 716 E CB -0.371 29.327 29.700 -0.004 0.000 0.745 716 E HN 0.634 nan 8.360 nan 0.000 0.458 717 D N -0.160 120.245 120.400 0.009 0.000 2.144 717 D HA -0.094 4.541 4.640 -0.008 0.000 0.200 717 D C 1.961 178.277 176.300 0.026 0.000 0.978 717 D CA 0.816 54.831 54.000 0.026 0.000 0.833 717 D CB -0.004 40.815 40.800 0.030 0.000 0.961 717 D HN 0.068 nan 8.370 nan 0.000 0.470 718 V N 1.927 121.844 119.914 0.005 0.000 2.295 718 V HA -0.204 3.911 4.120 -0.008 0.000 0.246 718 V C 2.024 178.119 176.094 0.002 0.000 1.049 718 V CA 1.636 63.931 62.300 -0.007 0.000 1.024 718 V CB -0.374 31.435 31.823 -0.024 0.000 0.648 718 V HN 0.051 nan 8.190 nan 0.000 0.447 719 D N -0.180 120.222 120.400 0.002 0.000 2.117 719 D HA -0.160 4.475 4.640 -0.008 0.000 0.197 719 D C 2.394 178.707 176.300 0.022 0.000 0.987 719 D CA 1.242 55.246 54.000 0.006 0.000 0.829 719 D CB -0.235 40.565 40.800 0.000 0.000 0.961 719 D HN 0.333 nan 8.370 nan 0.000 0.460 720 R N 0.208 120.726 120.500 0.029 0.000 2.091 720 R HA -0.065 4.270 4.340 -0.008 0.000 0.238 720 R C 2.547 178.884 176.300 0.062 0.000 1.136 720 R CA 0.626 56.752 56.100 0.042 0.000 0.959 720 R CB -0.387 29.940 30.300 0.045 0.000 0.856 720 R HN 0.193 nan 8.270 nan 0.000 0.437 721 L N 0.539 121.808 121.223 0.077 0.000 2.083 721 L HA -0.222 4.113 4.340 -0.008 0.000 0.209 721 L C 1.581 178.519 176.870 0.114 0.000 1.083 721 L CA 1.343 56.257 54.840 0.122 0.000 0.752 721 L CB -0.291 41.853 42.059 0.142 0.000 0.899 721 L HN 0.264 nan 8.230 nan 0.000 0.433 722 D N -0.627 119.813 120.400 0.067 0.000 2.144 722 D HA -0.189 4.446 4.640 -0.008 0.000 0.200 722 D C 2.213 178.546 176.300 0.055 0.000 0.978 722 D CA 1.044 55.078 54.000 0.056 0.000 0.833 722 D CB -0.034 40.778 40.800 0.020 0.000 0.961 722 D HN 0.451 nan 8.370 nan 0.000 0.470 723 Q N 0.122 119.949 119.800 0.045 0.000 2.124 723 Q HA -0.106 4.229 4.340 -0.008 0.000 0.202 723 Q C 2.214 178.242 176.000 0.047 0.000 0.977 723 Q CA 0.848 56.674 55.803 0.039 0.000 0.850 723 Q CB 0.033 28.790 28.738 0.031 0.000 0.901 723 Q HN 0.158 nan 8.270 nan 0.000 0.429 724 R N -0.102 120.435 120.500 0.060 0.000 2.127 724 R HA 0.034 4.369 4.340 -0.008 0.000 0.217 724 R C -0.146 176.197 176.300 0.072 0.000 1.074 724 R CA 0.895 57.033 56.100 0.063 0.000 0.991 724 R CB 0.359 30.702 30.300 0.072 0.000 0.895 724 R HN 0.254 nan 8.270 nan 0.000 0.450 725 G N 0.312 109.170 108.800 0.097 0.000 3.444 725 G HA2 -0.249 3.706 3.960 -0.008 0.000 0.685 725 G HA3 -0.249 3.706 3.960 -0.008 0.000 0.685 725 G C -1.382 173.616 174.900 0.163 0.000 1.145 725 G CA -0.399 44.767 45.100 0.109 0.000 0.973 725 G HN 0.272 nan 8.290 nan 0.000 0.525 726 Y N 3.863 124.199 120.300 0.061 0.000 2.480 726 Y HA 0.530 5.075 4.550 -0.008 0.000 0.341 726 Y C 0.397 176.355 175.900 0.098 0.000 1.031 726 Y CA -0.831 57.322 58.100 0.089 0.000 1.295 726 Y CB 0.883 39.374 38.460 0.052 0.000 1.162 726 Y HN 0.560 nan 8.280 nan 0.000 0.523 727 N N 5.333 123.806 118.700 -0.378 0.000 2.626 727 N HA 0.256 4.991 4.740 -0.008 0.000 0.249 727 N C 0.218 175.482 175.510 -0.409 0.000 1.021 727 N CA 0.357 53.206 53.050 -0.335 0.000 0.886 727 N CB 1.474 39.896 38.487 -0.109 0.000 1.149 727 N HN 0.880 nan 8.380 nan 0.000 0.517 728 A N 2.958 125.422 122.820 -0.593 0.000 1.978 728 A HA -0.227 4.088 4.320 -0.008 0.000 0.220 728 A C 1.936 179.645 177.584 0.207 0.000 1.170 728 A CA 1.488 53.417 52.037 -0.181 0.000 0.636 728 A CB -0.346 18.480 19.000 -0.291 0.000 0.810 728 A HN 0.738 nan 8.150 nan 0.000 0.448 729 Q N 0.249 120.068 119.800 0.032 0.000 2.152 729 Q HA -0.243 4.092 4.340 -0.008 0.000 0.206 729 Q C 1.883 177.960 176.000 0.127 0.000 0.985 729 Q CA 2.363 58.202 55.803 0.060 0.000 0.863 729 Q CB -0.381 28.348 28.738 -0.015 0.000 0.904 729 Q HN 0.786 nan 8.270 nan 0.000 0.422 730 E N -1.418 118.809 120.200 0.044 0.000 2.058 730 E HA -0.245 4.100 4.350 -0.008 0.000 0.194 730 E C 1.578 178.126 176.600 -0.087 0.000 0.997 730 E CA 1.519 57.877 56.400 -0.070 0.000 0.801 730 E CB -0.251 29.316 29.700 -0.221 0.000 0.746 730 E HN 0.593 nan 8.360 nan 0.000 0.450 731 Y N -1.068 119.298 120.300 0.110 0.000 2.242 731 Y HA -0.198 4.347 4.550 -0.008 0.000 0.291 731 Y C 2.213 178.113 175.900 0.002 0.000 1.137 731 Y CA 1.494 59.647 58.100 0.087 0.000 1.181 731 Y CB -0.701 37.861 38.460 0.170 0.000 0.989 731 Y HN 0.247 nan 8.280 nan 0.000 0.527 732 Y N 1.295 121.626 120.300 0.052 0.000 2.224 732 Y HA -0.254 4.291 4.550 -0.008 0.000 0.289 732 Y C 1.761 177.626 175.900 -0.058 0.000 1.146 732 Y CA 1.804 59.855 58.100 -0.081 0.000 1.182 732 Y CB -0.371 38.091 38.460 0.003 0.000 0.983 732 Y HN 0.084 nan 8.280 nan 0.000 0.524 733 D N -0.322 120.193 120.400 0.192 0.000 2.183 733 D HA -0.080 4.555 4.640 -0.008 0.000 0.203 733 D C 1.804 178.091 176.300 -0.022 0.000 0.969 733 D CA 1.070 55.122 54.000 0.088 0.000 0.842 733 D CB -0.087 40.772 40.800 0.098 0.000 0.957 733 D HN 0.488 nan 8.370 nan 0.000 0.484 734 R N -0.043 120.437 120.500 -0.033 0.000 2.312 734 R HA 0.270 4.605 4.340 -0.008 0.000 0.205 734 R C 0.434 176.711 176.300 -0.039 0.000 0.904 734 R CA 0.099 56.175 56.100 -0.040 0.000 1.052 734 R CB 1.077 31.348 30.300 -0.050 0.000 1.014 734 R HN 0.152 nan 8.270 nan 0.000 0.503 735 I N 2.155 122.681 120.570 -0.072 0.000 2.464 735 I HA 0.222 4.387 4.170 -0.008 0.000 0.277 735 I C -1.948 174.071 176.117 -0.164 0.000 1.040 735 I CA -2.367 58.892 61.300 -0.069 0.000 1.153 735 I CB 2.173 40.163 38.000 -0.017 0.000 1.274 735 I HN -0.300 nan 8.210 nan 0.000 0.469 736 P HA -0.199 nan 4.420 nan 0.000 0.215 736 P C 1.190 178.390 177.300 -0.167 0.000 1.157 736 P CA 1.525 64.533 63.100 -0.154 0.000 0.874 736 P CB 0.295 31.939 31.700 -0.093 0.000 0.790 737 E N -1.137 119.003 120.200 -0.101 0.000 2.110 737 E HA -0.177 4.168 4.350 -0.008 0.000 0.193 737 E C 1.884 178.374 176.600 -0.184 0.000 0.988 737 E CA 0.725 57.077 56.400 -0.079 0.000 0.804 737 E CB -0.607 29.118 29.700 0.042 0.000 0.745 737 E HN 0.117 nan 8.360 nan 0.000 0.458 738 L N 1.270 122.296 121.223 -0.328 0.000 2.056 738 L HA -0.127 4.208 4.340 -0.008 0.000 0.207 738 L C 2.358 178.934 176.870 -0.490 0.000 1.078 738 L CA 1.651 56.126 54.840 -0.608 0.000 0.749 738 L CB -0.341 41.219 42.059 -0.832 0.000 0.901 738 L HN -0.087 nan 8.230 nan 0.000 0.433 739 R N -0.742 119.440 120.500 -0.531 0.000 2.091 739 R HA -0.253 4.082 4.340 -0.008 0.000 0.238 739 R C 2.387 178.483 176.300 -0.341 0.000 1.136 739 R CA 2.042 57.720 56.100 -0.703 0.000 0.959 739 R CB -0.371 29.452 30.300 -0.794 0.000 0.856 739 R HN 0.645 nan 8.270 nan 0.000 0.437 740 Q N 0.455 120.106 119.800 -0.248 0.000 2.096 740 Q HA -0.185 4.150 4.340 -0.008 0.000 0.204 740 Q C 2.067 177.999 176.000 -0.113 0.000 0.982 740 Q CA 1.939 57.649 55.803 -0.156 0.000 0.850 740 Q CB -0.122 28.532 28.738 -0.141 0.000 0.901 740 Q HN 0.484 nan 8.270 nan 0.000 0.422 741 I N 0.622 121.121 120.570 -0.118 0.000 2.179 741 I HA -0.284 3.881 4.170 -0.008 0.000 0.242 741 I C 2.169 178.297 176.117 0.019 0.000 1.088 741 I CA 0.685 61.958 61.300 -0.045 0.000 1.357 741 I CB -0.320 37.630 38.000 -0.083 0.000 1.051 741 I HN 0.311 nan 8.210 nan 0.000 0.409 742 I N 0.874 121.451 120.570 0.012 0.000 2.226 742 I HA -0.253 3.912 4.170 -0.008 0.000 0.245 742 I C 2.460 178.670 176.117 0.155 0.000 1.100 742 I CA 1.711 63.092 61.300 0.135 0.000 1.374 742 I CB -1.278 36.891 38.000 0.283 0.000 1.057 742 I HN 0.366 nan 8.210 nan 0.000 0.413 743 E N 0.286 120.554 120.200 0.113 0.000 2.150 743 E HA -0.217 4.128 4.350 -0.008 0.000 0.193 743 E C 2.136 178.793 176.600 0.095 0.000 0.985 743 E CA 0.790 57.255 56.400 0.107 0.000 0.814 743 E CB -0.106 29.630 29.700 0.060 0.000 0.752 743 E HN 0.608 nan 8.360 nan 0.000 0.466 744 Q N 0.494 120.330 119.800 0.060 0.000 2.079 744 Q HA -0.102 4.233 4.340 -0.008 0.000 0.200 744 Q C 2.369 178.522 176.000 0.255 0.000 0.974 744 Q CA 0.902 56.742 55.803 0.063 0.000 0.840 744 Q CB -0.015 28.651 28.738 -0.121 0.000 0.898 744 Q HN 0.294 nan 8.270 nan 0.000 0.430 745 L N -0.008 121.386 121.223 0.284 0.000 2.017 745 L HA -0.186 4.149 4.340 -0.008 0.000 0.208 745 L C 2.439 179.491 176.870 0.303 0.000 1.073 745 L CA 1.033 56.073 54.840 0.334 0.000 0.745 745 L CB -0.378 41.802 42.059 0.201 0.000 0.894 745 L HN 0.145 nan 8.230 nan 0.000 0.432 746 S N -0.257 115.575 115.700 0.220 0.000 2.383 746 S HA -0.151 4.314 4.470 -0.008 0.000 0.227 746 S C 2.079 176.777 174.600 0.163 0.000 1.026 746 S CA 1.504 59.813 58.200 0.182 0.000 0.981 746 S CB -0.247 63.042 63.200 0.147 0.000 0.818 746 S HN 0.604 nan 8.310 nan 0.000 0.472 747 S N 0.469 116.265 115.700 0.160 0.000 2.522 747 S HA 0.297 4.762 4.470 -0.008 0.000 0.227 747 S C 1.489 176.172 174.600 0.140 0.000 0.986 747 S CA 0.740 59.020 58.200 0.134 0.000 0.929 747 S CB -0.149 63.123 63.200 0.121 0.000 0.769 747 S HN 0.825 nan 8.310 nan 0.000 0.529 748 G N 0.545 109.460 108.800 0.192 0.000 2.144 748 G HA2 -0.286 3.669 3.960 -0.008 0.000 0.218 748 G HA3 -0.286 3.669 3.960 -0.008 0.000 0.218 748 G C 0.224 175.210 174.900 0.143 0.000 0.988 748 G CA 0.109 45.312 45.100 0.171 0.000 0.659 748 G HN 0.528 nan 8.290 nan 0.000 0.522 749 F N 0.465 120.408 119.950 -0.011 0.000 2.202 749 F HA 0.152 4.674 4.527 -0.008 0.000 0.301 749 F C 1.771 177.375 175.800 -0.327 0.000 1.082 749 F CA 1.969 59.842 58.000 -0.212 0.000 1.313 749 F CB -0.072 38.710 39.000 -0.363 0.000 1.024 749 F HN 0.164 nan 8.300 nan 0.000 0.495 750 F N -0.275 119.827 119.950 0.253 0.000 2.664 750 F HA 0.218 4.740 4.527 -0.008 0.000 0.303 750 F C 0.636 176.548 175.800 0.186 0.000 1.092 750 F CA 0.271 58.373 58.000 0.170 0.000 1.305 750 F CB -0.138 38.972 39.000 0.182 0.000 1.054 750 F HN -0.001 nan 8.300 nan 0.000 0.565 751 S N -2.163 113.682 115.700 0.243 0.000 2.708 751 S HA 0.305 4.770 4.470 -0.008 0.000 0.141 751 S C -2.464 172.155 174.600 0.031 0.000 1.349 751 S CA -0.973 57.300 58.200 0.122 0.000 1.206 751 S CB 0.804 64.039 63.200 0.058 0.000 1.603 751 S HN -0.180 nan 8.310 nan 0.000 0.415 752 P HA -0.164 nan 4.420 nan 0.000 0.215 752 P C 1.278 178.565 177.300 -0.022 0.000 1.163 752 P CA 1.566 64.639 63.100 -0.044 0.000 0.894 752 P CB 0.081 31.732 31.700 -0.083 0.000 0.791 753 K N -1.093 119.294 120.400 -0.020 0.000 2.211 753 K HA -0.079 4.236 4.320 -0.008 0.000 0.203 753 K C 0.682 177.277 176.600 -0.008 0.000 1.050 753 K CA 0.975 57.255 56.287 -0.013 0.000 0.945 753 K CB -0.131 32.363 32.500 -0.010 0.000 0.732 753 K HN 0.358 nan 8.250 nan 0.000 0.451 754 Q N -0.345 119.448 119.800 -0.012 0.000 2.907 754 Q HA 0.151 4.486 4.340 -0.008 0.000 0.262 754 Q C -2.348 173.640 176.000 -0.020 0.000 0.997 754 Q CA -1.600 54.191 55.803 -0.020 0.000 0.797 754 Q CB 1.580 30.297 28.738 -0.035 0.000 1.228 754 Q HN -0.085 nan 8.270 nan 0.000 0.466 755 P HA -0.244 nan 4.420 nan 0.000 0.217 755 P C 0.607 177.939 177.300 0.053 0.000 1.151 755 P CA 1.557 64.681 63.100 0.040 0.000 0.849 755 P CB 0.196 31.919 31.700 0.037 0.000 0.787 756 D N -1.420 118.997 120.400 0.027 0.000 2.427 756 D HA 0.002 4.637 4.640 -0.008 0.000 0.224 756 D C 1.520 177.817 176.300 -0.006 0.000 1.157 756 D CA -0.274 53.750 54.000 0.040 0.000 0.828 756 D CB -0.654 40.172 40.800 0.043 0.000 0.974 756 D HN 0.034 nan 8.370 nan 0.000 0.498 757 L N -0.129 121.023 121.223 -0.118 0.000 2.081 757 L HA -0.039 4.296 4.340 -0.008 0.000 0.212 757 L C 1.026 177.667 176.870 -0.383 0.000 1.080 757 L CA 1.666 56.315 54.840 -0.318 0.000 0.754 757 L CB -0.603 41.083 42.059 -0.621 0.000 0.893 757 L HN -0.004 nan 8.230 nan 0.000 0.433 758 F N -0.478 119.528 119.950 0.092 0.000 2.730 758 F HA 0.153 4.676 4.527 -0.008 0.000 0.295 758 F C 1.830 177.682 175.800 0.087 0.000 1.143 758 F CA -0.193 57.852 58.000 0.076 0.000 1.367 758 F CB -0.314 38.720 39.000 0.056 0.000 0.970 758 F HN 0.101 nan 8.300 nan 0.000 0.514 759 K N -0.287 120.229 120.400 0.195 0.000 2.097 759 K HA -0.176 4.139 4.320 -0.008 0.000 0.206 759 K C 0.942 177.644 176.600 0.170 0.000 1.049 759 K CA 1.934 58.319 56.287 0.163 0.000 0.933 759 K CB -0.257 32.314 32.500 0.119 0.000 0.717 759 K HN 0.100 nan 8.250 nan 0.000 0.442 760 D N 1.397 121.912 120.400 0.191 0.000 2.117 760 D HA -0.102 4.533 4.640 -0.008 0.000 0.197 760 D C 2.102 178.515 176.300 0.189 0.000 0.987 760 D CA 1.186 55.313 54.000 0.211 0.000 0.829 760 D CB -0.135 40.834 40.800 0.282 0.000 0.961 760 D HN 0.323 nan 8.370 nan 0.000 0.460 761 I N 0.590 121.272 120.570 0.186 0.000 2.202 761 I HA -0.212 3.953 4.170 -0.008 0.000 0.242 761 I C 2.460 178.624 176.117 0.078 0.000 1.091 761 I CA 0.628 62.002 61.300 0.124 0.000 1.368 761 I CB -0.203 37.866 38.000 0.116 0.000 1.058 761 I HN -0.117 nan 8.210 nan 0.000 0.410 762 V N 1.190 121.167 119.914 0.106 0.000 2.343 762 V HA -0.282 3.833 4.120 -0.008 0.000 0.247 762 V C 2.253 178.340 176.094 -0.012 0.000 1.051 762 V CA 2.282 64.625 62.300 0.071 0.000 1.036 762 V CB -0.948 30.943 31.823 0.114 0.000 0.654 762 V HN 0.473 nan 8.190 nan 0.000 0.451 763 N N -0.000 118.720 118.700 0.034 0.000 2.120 763 N HA -0.210 4.525 4.740 -0.008 0.000 0.188 763 N C 1.842 177.210 175.510 -0.236 0.000 1.024 763 N CA 1.854 54.917 53.050 0.021 0.000 0.852 763 N CB -0.304 38.280 38.487 0.162 0.000 1.003 763 N HN 0.331 nan 8.380 nan 0.000 0.424 764 M N 0.308 119.810 119.600 -0.163 0.000 2.067 764 M HA -0.103 4.372 4.480 -0.008 0.000 0.260 764 M C 1.821 177.928 176.300 -0.323 0.000 1.069 764 M CA 1.358 56.486 55.300 -0.287 0.000 1.117 764 M CB -0.780 31.869 32.600 0.082 0.000 1.334 764 M HN 0.266 nan 8.290 nan 0.000 0.407 765 L N -0.039 121.037 121.223 -0.244 0.000 2.079 765 L HA -0.280 4.055 4.340 -0.008 0.000 0.210 765 L C 2.567 179.088 176.870 -0.582 0.000 1.081 765 L CA 1.109 55.702 54.840 -0.412 0.000 0.752 765 L CB -0.640 41.221 42.059 -0.331 0.000 0.896 765 L HN 0.348 nan 8.230 nan 0.000 0.433 766 M N -1.641 117.668 119.600 -0.485 0.000 2.334 766 M HA -0.062 4.413 4.480 -0.008 0.000 0.266 766 M C 1.882 177.722 176.300 -0.766 0.000 1.082 766 M CA 1.607 56.537 55.300 -0.617 0.000 1.141 766 M CB -0.769 31.379 32.600 -0.753 0.000 1.380 766 M HN 0.309 nan 8.290 nan 0.000 0.440 767 H N -1.714 117.168 119.070 -0.315 0.000 3.017 767 H HA 0.202 4.753 4.556 -0.008 0.000 0.255 767 H C 0.024 175.256 175.328 -0.160 0.000 0.990 767 H CA 0.578 56.482 56.048 -0.240 0.000 1.205 767 H CB 0.283 29.951 29.762 -0.157 0.000 1.460 767 H HN 0.550 nan 8.280 nan 0.000 0.478 768 H N -1.194 117.927 119.070 0.086 0.000 2.823 768 H HA 0.263 4.814 4.556 -0.008 0.000 0.222 768 H C -1.215 174.132 175.328 0.032 0.000 1.414 768 H CA -0.673 55.416 56.048 0.068 0.000 1.289 768 H CB -0.077 29.729 29.762 0.072 0.000 1.970 768 H HN -0.110 nan 8.280 nan 0.000 0.517 769 D N 1.361 121.787 120.400 0.045 0.000 2.411 769 D HA 0.150 4.785 4.640 -0.008 0.000 0.225 769 D C 0.856 177.098 176.300 -0.098 0.000 1.156 769 D CA -0.499 53.502 54.000 0.001 0.000 0.874 769 D CB 0.720 41.491 40.800 -0.049 0.000 1.034 769 D HN 0.457 nan 8.370 nan 0.000 0.502 770 R N 2.269 122.616 120.500 -0.255 0.000 2.237 770 R HA -0.038 4.297 4.340 -0.008 0.000 0.219 770 R C 0.546 176.315 176.300 -0.885 0.000 1.080 770 R CA 0.835 56.573 56.100 -0.604 0.000 0.995 770 R CB 0.076 29.843 30.300 -0.888 0.000 0.875 770 R HN 0.405 nan 8.270 nan 0.000 0.462 771 F N 0.553 120.467 119.950 -0.060 0.000 2.647 771 F HA 0.257 4.779 4.527 -0.008 0.000 0.300 771 F C 0.074 175.749 175.800 -0.208 0.000 1.106 771 F CA -0.743 57.204 58.000 -0.089 0.000 1.313 771 F CB 0.097 39.108 39.000 0.018 0.000 1.007 771 F HN -0.244 nan 8.300 nan 0.000 0.536 772 K N -0.381 119.803 120.400 -0.359 0.000 3.311 772 K HA -0.194 4.121 4.320 -0.008 0.000 0.270 772 K C 1.079 177.556 176.600 -0.205 0.000 0.927 772 K CA 0.187 56.093 56.287 -0.634 0.000 0.706 772 K CB -1.782 30.255 32.500 -0.773 0.000 1.418 772 K HN 0.226 nan 8.250 nan 0.000 0.459 773 V N 0.089 119.962 119.914 -0.068 0.000 2.252 773 V HA -0.305 3.810 4.120 -0.008 0.000 0.249 773 V C 1.982 178.213 176.094 0.228 0.000 1.056 773 V CA 2.362 64.703 62.300 0.068 0.000 1.022 773 V CB -0.513 31.352 31.823 0.070 0.000 0.641 773 V HN 0.514 nan 8.190 nan 0.000 0.445 774 F N 0.248 120.200 119.950 0.003 0.000 2.161 774 F HA -0.229 4.293 4.527 -0.008 0.000 0.300 774 F C 2.565 178.164 175.800 -0.336 0.000 1.089 774 F CA 0.717 58.664 58.000 -0.089 0.000 1.282 774 F CB -0.470 38.482 39.000 -0.081 0.000 1.010 774 F HN 0.209 nan 8.300 nan 0.000 0.485 775 A N -0.352 122.292 122.820 -0.293 0.000 1.978 775 A HA -0.223 4.092 4.320 -0.008 0.000 0.220 775 A C 1.490 179.076 177.584 0.004 0.000 1.170 775 A CA 2.083 53.879 52.037 -0.400 0.000 0.636 775 A CB -0.511 18.393 19.000 -0.159 0.000 0.810 775 A HN 0.268 nan 8.150 nan 0.000 0.448 776 D N -2.935 117.524 120.400 0.100 0.000 2.369 776 D HA 0.094 4.729 4.640 -0.008 0.000 0.211 776 D C 1.145 177.617 176.300 0.287 0.000 1.077 776 D CA -0.048 54.085 54.000 0.221 0.000 0.842 776 D CB -0.111 40.829 40.800 0.233 0.000 0.947 776 D HN 0.600 nan 8.370 nan 0.000 0.509 777 Y N 2.103 122.494 120.300 0.151 0.000 2.097 777 Y HA -0.225 4.320 4.550 -0.008 0.000 0.282 777 Y C 2.118 178.110 175.900 0.153 0.000 1.152 777 Y CA 1.890 60.088 58.100 0.164 0.000 1.136 777 Y CB 0.182 38.704 38.460 0.104 0.000 0.975 777 Y HN -0.106 nan 8.280 nan 0.000 0.498 778 E N -0.273 120.011 120.200 0.141 0.000 2.038 778 E HA -0.227 4.118 4.350 -0.008 0.000 0.195 778 E C 2.095 178.672 176.600 -0.039 0.000 1.000 778 E CA 1.428 57.835 56.400 0.012 0.000 0.803 778 E CB -0.080 29.726 29.700 0.176 0.000 0.750 778 E HN 0.523 nan 8.360 nan 0.000 0.448 779 E N 0.010 120.263 120.200 0.090 0.000 2.153 779 E HA -0.183 4.162 4.350 -0.008 0.000 0.194 779 E C 1.816 178.419 176.600 0.006 0.000 0.988 779 E CA 0.709 57.181 56.400 0.119 0.000 0.811 779 E CB -0.331 29.527 29.700 0.264 0.000 0.746 779 E HN 0.359 nan 8.360 nan 0.000 0.466 780 Y N 1.498 121.627 120.300 -0.286 0.000 2.163 780 Y HA -0.193 4.352 4.550 -0.008 0.000 0.288 780 Y C 2.266 177.764 175.900 -0.671 0.000 1.136 780 Y CA 1.009 58.603 58.100 -0.844 0.000 1.147 780 Y CB -0.492 37.533 38.460 -0.724 0.000 0.987 780 Y HN -0.205 nan 8.280 nan 0.000 0.509 781 V N 0.454 120.010 119.914 -0.596 0.000 2.343 781 V HA -0.300 3.815 4.120 -0.008 0.000 0.247 781 V C 2.349 178.201 176.094 -0.405 0.000 1.051 781 V CA 2.304 64.258 62.300 -0.576 0.000 1.036 781 V CB -0.658 30.859 31.823 -0.509 0.000 0.654 781 V HN 0.202 nan 8.190 nan 0.000 0.451 782 K N -0.496 119.738 120.400 -0.277 0.000 2.026 782 K HA -0.178 4.137 4.320 -0.008 0.000 0.208 782 K C 2.254 178.751 176.600 -0.172 0.000 1.048 782 K CA 1.841 58.032 56.287 -0.161 0.000 0.929 782 K CB -1.041 31.416 32.500 -0.070 0.000 0.713 782 K HN 0.540 nan 8.250 nan 0.000 0.439 783 C N 0.810 119.981 119.300 -0.215 0.000 2.429 783 C HA -0.099 4.356 4.460 -0.008 0.000 0.277 783 C C 2.463 177.251 174.990 -0.336 0.000 1.262 783 C CA 0.774 59.688 59.018 -0.172 0.000 1.733 783 C CB -0.719 26.937 27.740 -0.140 0.000 2.010 783 C HN 0.471 nan 8.230 nan 0.000 0.483 784 Q N 0.428 119.887 119.800 -0.568 0.000 2.170 784 Q HA -0.174 4.161 4.340 -0.008 0.000 0.203 784 Q C 2.003 177.785 176.000 -0.363 0.000 0.976 784 Q CA 1.653 57.077 55.803 -0.631 0.000 0.858 784 Q CB -0.395 27.708 28.738 -1.058 0.000 0.907 784 Q HN 0.765 nan 8.270 nan 0.000 0.433 785 E N 0.146 120.194 120.200 -0.253 0.000 2.106 785 E HA -0.130 4.215 4.350 -0.008 0.000 0.192 785 E C 2.060 178.603 176.600 -0.095 0.000 0.984 785 E CA 0.521 56.838 56.400 -0.138 0.000 0.806 785 E CB -0.044 29.598 29.700 -0.096 0.000 0.750 785 E HN 0.259 nan 8.360 nan 0.000 0.458 786 R N 0.492 120.941 120.500 -0.086 0.000 2.115 786 R HA -0.070 4.265 4.340 -0.008 0.000 0.230 786 R C 2.382 178.659 176.300 -0.038 0.000 1.111 786 R CA 0.706 56.819 56.100 0.022 0.000 0.976 786 R CB -0.181 30.208 30.300 0.148 0.000 0.870 786 R HN 0.055 nan 8.270 nan 0.000 0.445 787 V N 0.418 120.112 119.914 -0.365 0.000 2.307 787 V HA -0.232 3.883 4.120 -0.008 0.000 0.245 787 V C 2.127 178.200 176.094 -0.035 0.000 1.045 787 V CA 1.944 63.930 62.300 -0.524 0.000 1.024 787 V CB -0.318 31.091 31.823 -0.691 0.000 0.651 787 V HN 0.279 nan 8.190 nan 0.000 0.449 788 S N 0.157 115.805 115.700 -0.087 0.000 2.382 788 S HA -0.167 4.298 4.470 -0.008 0.000 0.228 788 S C 2.187 176.838 174.600 0.085 0.000 1.027 788 S CA 1.358 59.545 58.200 -0.022 0.000 0.991 788 S CB -0.469 62.686 63.200 -0.075 0.000 0.823 788 S HN 0.650 nan 8.310 nan 0.000 0.469 789 A N 1.337 124.207 122.820 0.085 0.000 1.902 789 A HA 0.020 4.335 4.320 -0.008 0.000 0.217 789 A C 2.088 179.782 177.584 0.184 0.000 1.181 789 A CA 1.036 53.145 52.037 0.120 0.000 0.623 789 A CB -0.666 18.395 19.000 0.101 0.000 0.818 789 A HN 0.461 nan 8.150 nan 0.000 0.443 790 L N -2.054 119.337 121.223 0.281 0.000 2.109 790 L HA -0.135 4.200 4.340 -0.008 0.000 0.207 790 L C 2.452 179.598 176.870 0.460 0.000 1.086 790 L CA 1.631 56.713 54.840 0.402 0.000 0.760 790 L CB -0.400 42.003 42.059 0.574 0.000 0.910 790 L HN 0.588 nan 8.230 nan 0.000 0.437 791 Y N 1.015 121.455 120.300 0.232 0.000 2.333 791 Y HA -0.262 4.284 4.550 -0.007 0.000 0.290 791 Y C 2.372 178.200 175.900 -0.120 0.000 1.144 791 Y CA 1.572 59.539 58.100 -0.222 0.000 1.228 791 Y CB -0.059 38.065 38.460 -0.559 0.000 0.985 791 Y HN 0.066 nan 8.280 nan 0.000 0.542 792 K N -0.152 120.283 120.400 0.059 0.000 2.442 792 K HA -0.115 4.200 4.320 -0.008 0.000 0.198 792 K C 0.392 176.976 176.600 -0.027 0.000 1.042 792 K CA 0.654 56.959 56.287 0.030 0.000 0.958 792 K CB -0.062 32.504 32.500 0.109 0.000 0.766 792 K HN 0.057 nan 8.250 nan 0.000 0.474 793 N N 0.507 119.205 118.700 -0.003 0.000 2.976 793 N HA 0.132 4.867 4.740 -0.008 0.000 0.255 793 N C -2.449 173.059 175.510 -0.003 0.000 1.312 793 N CA -2.106 50.950 53.050 0.009 0.000 0.897 793 N CB 1.121 39.647 38.487 0.065 0.000 1.184 793 N HN -0.190 nan 8.380 nan 0.000 0.497 794 P HA -0.235 nan 4.420 nan 0.000 0.219 794 P C 1.403 178.707 177.300 0.007 0.000 1.158 794 P CA 1.392 64.410 63.100 -0.136 0.000 0.895 794 P CB 0.325 31.924 31.700 -0.169 0.000 0.792 795 R N -0.182 120.325 120.500 0.011 0.000 2.081 795 R HA -0.163 4.172 4.340 -0.008 0.000 0.235 795 R C 1.964 178.307 176.300 0.070 0.000 1.131 795 R CA 1.482 57.603 56.100 0.035 0.000 0.960 795 R CB -0.390 29.922 30.300 0.020 0.000 0.856 795 R HN 0.110 nan 8.270 nan 0.000 0.436 796 E N -0.115 120.137 120.200 0.087 0.000 2.152 796 E HA -0.204 4.141 4.350 -0.008 0.000 0.192 796 E C 1.597 178.277 176.600 0.133 0.000 0.983 796 E CA 0.589 57.044 56.400 0.093 0.000 0.818 796 E CB -0.401 29.352 29.700 0.087 0.000 0.758 796 E HN 0.526 nan 8.360 nan 0.000 0.467 797 W N 2.232 123.530 121.300 -0.003 0.000 2.355 797 W HA -0.157 4.497 4.660 -0.010 0.000 0.309 797 W C 1.551 178.078 176.519 0.012 0.000 1.206 797 W CA 1.965 59.324 57.345 0.022 0.000 1.284 797 W CB -0.426 29.020 29.460 -0.024 0.000 1.145 797 W HN 0.009 nan 8.180 nan 0.000 0.502 798 T N 1.345 116.055 114.554 0.261 0.000 2.788 798 T HA -0.169 4.176 4.350 -0.008 0.000 0.268 798 T C 1.864 176.585 174.700 0.034 0.000 1.044 798 T CA 1.722 63.903 62.100 0.136 0.000 1.139 798 T CB -0.279 68.644 68.868 0.091 0.000 0.867 798 T HN 0.174 nan 8.240 nan 0.000 0.454 799 R N 0.427 120.951 120.500 0.039 0.000 2.096 799 R HA 0.086 4.421 4.340 -0.008 0.000 0.235 799 R C 2.493 178.788 176.300 -0.009 0.000 1.127 799 R CA 1.181 57.299 56.100 0.031 0.000 0.968 799 R CB -0.336 29.987 30.300 0.038 0.000 0.861 799 R HN 0.369 nan 8.270 nan 0.000 0.440 800 M N 0.477 120.036 119.600 -0.069 0.000 2.175 800 M HA -0.130 4.345 4.480 -0.008 0.000 0.264 800 M C 1.938 178.152 176.300 -0.144 0.000 1.063 800 M CA 1.326 56.545 55.300 -0.134 0.000 1.119 800 M CB 0.195 32.652 32.600 -0.238 0.000 1.377 800 M HN -0.023 nan 8.290 nan 0.000 0.415 801 V N 0.886 120.698 119.914 -0.170 0.000 2.287 801 V HA -0.313 3.802 4.120 -0.008 0.000 0.248 801 V C 2.212 178.295 176.094 -0.018 0.000 1.053 801 V CA 1.985 64.217 62.300 -0.114 0.000 1.027 801 V CB -0.612 31.174 31.823 -0.062 0.000 0.646 801 V HN 0.507 nan 8.190 nan 0.000 0.447 802 I N -0.604 119.977 120.570 0.017 0.000 2.264 802 I HA -0.262 3.903 4.170 -0.008 0.000 0.248 802 I C 2.710 178.879 176.117 0.088 0.000 1.111 802 I CA 1.557 62.914 61.300 0.095 0.000 1.382 802 I CB -0.426 37.678 38.000 0.174 0.000 1.060 802 I HN 0.217 nan 8.210 nan 0.000 0.418 803 R N 0.433 120.961 120.500 0.047 0.000 2.152 803 R HA -0.113 4.222 4.340 -0.008 0.000 0.232 803 R C 2.026 178.359 176.300 0.055 0.000 1.117 803 R CA 1.117 57.242 56.100 0.042 0.000 0.981 803 R CB -0.348 29.960 30.300 0.013 0.000 0.870 803 R HN 0.533 nan 8.270 nan 0.000 0.451 804 N N 0.565 119.293 118.700 0.046 0.000 2.148 804 N HA -0.067 4.668 4.740 -0.008 0.000 0.186 804 N C 1.960 177.532 175.510 0.103 0.000 1.031 804 N CA 1.029 54.130 53.050 0.084 0.000 0.848 804 N CB -0.007 38.505 38.487 0.043 0.000 1.005 804 N HN 0.111 nan 8.380 nan 0.000 0.427 805 I N 1.698 122.318 120.570 0.083 0.000 2.208 805 I HA -0.256 3.909 4.170 -0.008 0.000 0.245 805 I C 2.466 178.638 176.117 0.091 0.000 1.097 805 I CA 0.949 62.303 61.300 0.091 0.000 1.363 805 I CB -0.353 37.695 38.000 0.081 0.000 1.051 805 I HN 0.099 nan 8.210 nan 0.000 0.413 806 A N 0.350 123.223 122.820 0.088 0.000 2.019 806 A HA -0.177 4.138 4.320 -0.008 0.000 0.219 806 A C 2.081 179.703 177.584 0.064 0.000 1.164 806 A CA 2.129 54.207 52.037 0.069 0.000 0.644 806 A CB -0.868 18.174 19.000 0.070 0.000 0.805 806 A HN 0.546 nan 8.150 nan 0.000 0.449 807 T N -2.933 111.673 114.554 0.086 0.000 3.174 807 T HA 0.207 4.552 4.350 -0.008 0.000 0.269 807 T C 1.071 175.861 174.700 0.151 0.000 1.017 807 T CA 0.609 62.762 62.100 0.088 0.000 0.899 807 T CB -0.174 68.744 68.868 0.083 0.000 1.077 807 T HN 0.476 nan 8.240 nan 0.000 0.552 808 S N -0.042 115.766 115.700 0.181 0.000 2.593 808 S HA 0.259 4.724 4.470 -0.008 0.000 0.217 808 S C 2.202 176.928 174.600 0.210 0.000 0.966 808 S CA 0.238 58.625 58.200 0.312 0.000 0.914 808 S CB -0.573 62.785 63.200 0.262 0.000 0.776 808 S HN 0.521 nan 8.310 nan 0.000 0.523 809 G N 2.796 111.641 108.800 0.076 0.000 2.469 809 G HA2 -0.307 3.648 3.960 -0.008 0.000 0.219 809 G HA3 -0.307 3.648 3.960 -0.008 0.000 0.219 809 G C 1.322 176.162 174.900 -0.100 0.000 1.150 809 G CA 1.085 46.194 45.100 0.015 0.000 0.763 809 G HN 0.611 nan 8.290 nan 0.000 0.561 810 K N -0.119 120.099 120.400 -0.304 0.000 2.281 810 K HA -0.036 4.279 4.320 -0.008 0.000 0.203 810 K C 1.238 177.471 176.600 -0.611 0.000 1.046 810 K CA 0.730 56.698 56.287 -0.532 0.000 0.938 810 K CB -0.275 31.742 32.500 -0.805 0.000 0.737 810 K HN 0.412 nan 8.250 nan 0.000 0.458 811 F N 0.943 120.921 119.950 0.046 0.000 2.693 811 F HA 0.121 4.643 4.527 -0.009 0.000 0.303 811 F C 0.798 176.642 175.800 0.074 0.000 1.143 811 F CA -0.555 57.480 58.000 0.058 0.000 1.389 811 F CB 0.352 39.383 39.000 0.051 0.000 1.060 811 F HN -0.112 nan 8.300 nan 0.000 0.535 812 S N 0.233 116.006 115.700 0.123 0.000 2.545 812 S HA 0.096 4.561 4.470 -0.008 0.000 0.275 812 S C 1.399 176.077 174.600 0.130 0.000 1.299 812 S CA -0.289 57.986 58.200 0.124 0.000 1.048 812 S CB 0.891 64.134 63.200 0.071 0.000 0.938 812 S HN 0.326 nan 8.310 nan 0.000 0.496 813 S N 3.181 118.984 115.700 0.172 0.000 2.547 813 S HA -0.064 4.401 4.470 -0.008 0.000 0.235 813 S C 0.894 175.546 174.600 0.087 0.000 0.980 813 S CA 0.597 58.920 58.200 0.204 0.000 0.941 813 S CB -0.313 63.085 63.200 0.330 0.000 0.763 813 S HN 0.785 nan 8.310 nan 0.000 0.532 814 D N 1.953 122.388 120.400 0.058 0.000 2.144 814 D HA -0.070 4.565 4.640 -0.008 0.000 0.200 814 D C 2.068 178.369 176.300 0.001 0.000 0.978 814 D CA 0.776 54.788 54.000 0.019 0.000 0.833 814 D CB -0.310 40.498 40.800 0.014 0.000 0.961 814 D HN 0.399 nan 8.370 nan 0.000 0.470 815 R N 0.734 121.237 120.500 0.005 0.000 2.075 815 R HA -0.087 4.248 4.340 -0.008 0.000 0.232 815 R C 1.801 178.088 176.300 -0.021 0.000 1.126 815 R CA 1.344 57.432 56.100 -0.019 0.000 0.963 815 R CB -0.425 29.851 30.300 -0.040 0.000 0.858 815 R HN 0.067 nan 8.270 nan 0.000 0.435 816 T N 2.112 116.676 114.554 0.016 0.000 2.652 816 T HA -0.107 4.238 4.350 -0.008 0.000 0.267 816 T C 1.901 176.600 174.700 -0.001 0.000 1.039 816 T CA 1.314 63.441 62.100 0.044 0.000 1.153 816 T CB -0.107 68.862 68.868 0.168 0.000 0.863 816 T HN 0.116 nan 8.240 nan 0.000 0.428 817 I N 1.690 122.183 120.570 -0.128 0.000 2.286 817 I HA -0.091 4.074 4.170 -0.008 0.000 0.248 817 I C 2.875 178.946 176.117 -0.078 0.000 1.115 817 I CA 0.881 62.070 61.300 -0.185 0.000 1.392 817 I CB -1.599 36.294 38.000 -0.180 0.000 1.065 817 I HN 0.189 nan 8.210 nan 0.000 0.418 818 A N 0.131 122.922 122.820 -0.047 0.000 1.933 818 A HA -0.226 4.089 4.320 -0.008 0.000 0.218 818 A C 2.251 179.789 177.584 -0.076 0.000 1.175 818 A CA 1.354 53.370 52.037 -0.035 0.000 0.628 818 A CB -0.504 18.482 19.000 -0.025 0.000 0.814 818 A HN 0.503 nan 8.150 nan 0.000 0.444 819 Q N -1.924 117.812 119.800 -0.108 0.000 2.083 819 Q HA -0.144 4.191 4.340 -0.008 0.000 0.198 819 Q C 1.903 177.730 176.000 -0.288 0.000 0.969 819 Q CA 1.527 57.226 55.803 -0.173 0.000 0.838 819 Q CB -0.279 28.347 28.738 -0.188 0.000 0.900 819 Q HN 0.818 nan 8.270 nan 0.000 0.436 820 Y N 0.602 120.607 120.300 -0.491 0.000 2.145 820 Y HA -0.277 4.268 4.550 -0.009 0.000 0.286 820 Y C 2.460 177.770 175.900 -0.984 0.000 1.145 820 Y CA 1.264 58.819 58.100 -0.908 0.000 1.148 820 Y CB -0.415 37.211 38.460 -1.389 0.000 0.981 820 Y HN 0.155 nan 8.280 nan 0.000 0.507 821 A N 0.346 122.922 122.820 -0.406 0.000 1.865 821 A HA -0.242 4.073 4.320 -0.008 0.000 0.217 821 A C 2.258 179.850 177.584 0.014 0.000 1.191 821 A CA 2.161 54.208 52.037 0.018 0.000 0.623 821 A CB -0.594 18.496 19.000 0.149 0.000 0.826 821 A HN 0.427 nan 8.150 nan 0.000 0.444 822 R N -0.611 119.861 120.500 -0.047 0.000 2.062 822 R HA -0.044 4.291 4.340 -0.008 0.000 0.226 822 R C 1.960 178.235 176.300 -0.042 0.000 1.125 822 R CA 1.470 57.555 56.100 -0.025 0.000 0.966 822 R CB -0.262 30.019 30.300 -0.032 0.000 0.861 822 R HN 0.675 nan 8.270 nan 0.000 0.433 823 E N -0.273 119.862 120.200 -0.109 0.000 2.385 823 E HA 0.033 4.378 4.350 -0.008 0.000 0.194 823 E C 1.493 178.040 176.600 -0.089 0.000 1.013 823 E CA 0.615 56.954 56.400 -0.102 0.000 0.866 823 E CB 0.419 30.031 29.700 -0.147 0.000 0.832 823 E HN 0.354 nan 8.360 nan 0.000 0.500 824 I N -1.245 119.236 120.570 -0.148 0.000 3.873 824 I HA 0.018 4.183 4.170 -0.008 0.000 0.284 824 I C 1.308 177.555 176.117 0.216 0.000 1.186 824 I CA -0.088 61.183 61.300 -0.048 0.000 1.362 824 I CB 0.245 38.074 38.000 -0.284 0.000 1.432 824 I HN 0.108 nan 8.210 nan 0.000 0.454 825 W N 1.615 123.009 121.300 0.157 0.000 2.770 825 W HA 0.334 4.989 4.660 -0.008 0.000 0.256 825 W C 1.436 177.992 176.519 0.062 0.000 1.291 825 W CA 0.756 58.174 57.345 0.122 0.000 1.396 825 W CB -1.079 28.440 29.460 0.098 0.000 1.114 825 W HN 0.305 nan 8.180 nan 0.000 0.637 826 G N 1.346 110.285 108.800 0.231 0.000 2.289 826 G HA2 -0.080 3.875 3.960 -0.008 0.000 0.280 826 G HA3 -0.080 3.875 3.960 -0.008 0.000 0.280 826 G C -0.377 174.597 174.900 0.123 0.000 1.089 826 G CA 0.240 45.418 45.100 0.131 0.000 0.939 826 G HN 0.465 nan 8.290 nan 0.000 0.499 827 V N -4.184 115.820 119.914 0.150 0.000 2.925 827 V HA 0.893 5.008 4.120 -0.008 0.000 0.311 827 V C -0.401 175.752 176.094 0.098 0.000 1.104 827 V CA -1.693 60.677 62.300 0.116 0.000 0.954 827 V CB 2.330 34.233 31.823 0.133 0.000 1.022 827 V HN 0.152 nan 8.190 nan 0.000 0.427 828 E N 4.157 124.397 120.200 0.067 0.000 2.197 828 E HA 0.514 4.859 4.350 -0.008 0.000 0.281 828 E C -2.479 174.156 176.600 0.058 0.000 0.995 828 E CA -1.735 54.698 56.400 0.054 0.000 0.808 828 E CB 1.844 31.568 29.700 0.040 0.000 1.093 828 E HN 0.769 nan 8.360 nan 0.000 0.394 829 P HA 0.130 nan 4.420 nan 0.000 0.274 829 P C -0.535 176.792 177.300 0.046 0.000 1.237 829 P CA -0.379 62.754 63.100 0.055 0.000 0.793 829 P CB 1.111 32.838 31.700 0.046 0.000 0.977 830 S N 0.902 116.631 115.700 0.050 0.000 2.547 830 S HA 0.359 4.824 4.470 -0.008 0.000 0.281 830 S C 0.241 174.866 174.600 0.042 0.000 1.118 830 S CA -0.767 57.461 58.200 0.047 0.000 0.947 830 S CB 0.996 64.231 63.200 0.059 0.000 1.053 830 S HN 0.284 nan 8.310 nan 0.000 0.482 831 R N 2.581 123.102 120.500 0.034 0.000 2.515 831 R HA 0.213 4.548 4.340 -0.008 0.000 0.294 831 R C -0.287 176.026 176.300 0.022 0.000 1.021 831 R CA -0.052 56.066 56.100 0.031 0.000 1.081 831 R CB 0.280 30.598 30.300 0.029 0.000 1.263 831 R HN 0.660 nan 8.270 nan 0.000 0.557 832 Q N 1.020 120.834 119.800 0.022 0.000 2.288 832 Q HA 0.190 4.525 4.340 -0.008 0.000 0.258 832 Q C -0.309 175.686 176.000 -0.009 0.000 0.957 832 Q CA -0.215 55.594 55.803 0.010 0.000 0.919 832 Q CB 1.281 30.030 28.738 0.018 0.000 1.185 832 Q HN -0.168 nan 8.270 nan 0.000 0.408 833 R N 1.587 122.073 120.500 -0.023 0.000 2.594 833 R HA 0.253 4.588 4.340 -0.008 0.000 0.272 833 R C -0.466 175.794 176.300 -0.066 0.000 1.074 833 R CA 0.131 56.205 56.100 -0.045 0.000 1.105 833 R CB 0.409 30.682 30.300 -0.046 0.000 1.008 833 R HN 0.492 nan 8.270 nan 0.000 0.472 834 L N 4.818 125.986 121.223 -0.092 0.000 2.334 834 L HA 0.473 4.808 4.340 -0.008 0.000 0.275 834 L C -1.824 174.986 176.870 -0.101 0.000 1.036 834 L CA -2.235 52.520 54.840 -0.141 0.000 0.807 834 L CB 1.752 43.693 42.059 -0.196 0.000 1.231 834 L HN 0.469 nan 8.230 nan 0.000 0.438 835 P HA 0.108 nan 4.420 nan 0.000 0.267 835 P C -0.866 176.403 177.300 -0.052 0.000 1.209 835 P CA -0.111 62.953 63.100 -0.059 0.000 0.763 835 P CB 1.207 32.878 31.700 -0.048 0.000 0.816 836 A N 0.000 122.798 122.820 -0.037 0.000 2.254 836 A HA 0.000 4.315 4.320 -0.008 0.000 0.244 836 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 836 A CB 0.000 18.988 19.000 -0.020 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486