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 2gj4_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 RLWSAKAPNX XXXXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSXXXXXXXX XXXNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLP 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 0.000 175.991 176.000 -0.015 0.000 1.003 12 Q CA 0.000 55.785 55.803 -0.030 0.000 1.022 12 Q CB 0.000 28.719 28.738 -0.032 0.000 1.108 13 I N 0.209 120.772 120.570 -0.011 0.000 2.315 13 I HA 0.597 4.767 4.170 -0.001 0.000 0.291 13 I C 1.282 177.403 176.117 0.007 0.000 1.006 13 I CA 0.281 61.583 61.300 0.003 0.000 1.265 13 I CB 1.906 39.911 38.000 0.008 0.000 1.387 13 I HN 0.208 nan 8.210 nan 0.000 0.475 14 S N 4.766 120.475 115.700 0.014 0.000 2.399 14 S HA -0.173 4.296 4.470 -0.001 0.000 0.231 14 S C 1.741 176.355 174.600 0.024 0.000 1.022 14 S CA 1.125 59.335 58.200 0.017 0.000 0.983 14 S CB -0.964 62.249 63.200 0.021 0.000 0.803 14 S HN 0.875 nan 8.310 nan 0.000 0.480 15 V N -0.090 119.846 119.914 0.037 0.000 2.867 15 V HA 0.062 4.182 4.120 -0.001 0.000 0.260 15 V C 2.124 178.240 176.094 0.038 0.000 1.099 15 V CA 1.350 63.678 62.300 0.046 0.000 1.122 15 V CB -1.062 30.798 31.823 0.062 0.000 0.708 15 V HN 0.402 nan 8.190 nan 0.000 0.490 16 R N 1.173 121.686 120.500 0.021 0.000 2.313 16 R HA 0.431 4.771 4.340 -0.001 0.000 0.199 16 R C 1.155 177.452 176.300 -0.004 0.000 0.958 16 R CA 0.588 56.694 56.100 0.009 0.000 1.047 16 R CB 0.007 30.308 30.300 0.001 0.000 0.955 16 R HN 0.783 nan 8.270 nan 0.000 0.481 17 G N 0.571 109.369 108.800 -0.004 0.000 2.610 17 G HA2 -0.200 3.760 3.960 -0.001 0.000 0.304 17 G HA3 -0.200 3.760 3.960 -0.001 0.000 0.304 17 G C -1.366 173.524 174.900 -0.017 0.000 1.309 17 G CA -1.065 44.025 45.100 -0.017 0.000 0.906 17 G HN -0.028 nan 8.290 nan 0.000 0.521 18 L N 0.716 121.926 121.223 -0.022 0.000 2.325 18 L HA 0.747 5.087 4.340 -0.001 0.000 0.279 18 L C 1.142 178.001 176.870 -0.019 0.000 1.054 18 L CA -0.077 54.752 54.840 -0.018 0.000 0.804 18 L CB 1.238 43.287 42.059 -0.017 0.000 1.200 18 L HN 1.548 nan 8.230 nan 0.000 0.436 19 A N 2.756 125.567 122.820 -0.015 0.000 3.079 19 A HA 0.623 4.942 4.320 -0.001 0.000 0.315 19 A C 0.660 178.241 177.584 -0.005 0.000 1.334 19 A CA -0.301 51.729 52.037 -0.011 0.000 1.048 19 A CB -0.579 18.413 19.000 -0.013 0.000 1.156 19 A HN 0.757 nan 8.150 nan 0.000 0.523 20 G N -0.005 108.793 108.800 -0.003 0.000 2.491 20 G HA2 0.363 4.322 3.960 -0.001 0.000 0.242 20 G HA3 0.363 4.322 3.960 -0.001 0.000 0.242 20 G C 1.199 176.104 174.900 0.008 0.000 1.266 20 G CA 0.175 45.276 45.100 0.002 0.000 0.844 20 G HN 1.271 nan 8.290 nan 0.000 0.571 21 V N -0.456 119.463 119.914 0.010 0.000 2.358 21 V HA -0.083 4.037 4.120 -0.001 0.000 0.246 21 V C 2.095 178.200 176.094 0.018 0.000 1.047 21 V CA 2.115 64.423 62.300 0.013 0.000 1.035 21 V CB -0.477 31.352 31.823 0.011 0.000 0.658 21 V HN 0.550 nan 8.190 nan 0.000 0.452 22 E N 1.056 121.267 120.200 0.019 0.000 2.106 22 E HA -0.160 4.189 4.350 -0.001 0.000 0.192 22 E C 2.167 178.788 176.600 0.035 0.000 0.984 22 E CA 1.511 57.926 56.400 0.025 0.000 0.806 22 E CB -0.654 29.060 29.700 0.023 0.000 0.750 22 E HN 0.711 nan 8.360 nan 0.000 0.458 23 N N 0.843 119.563 118.700 0.034 0.000 2.084 23 N HA -0.122 4.618 4.740 -0.001 0.000 0.190 23 N C 1.854 177.392 175.510 0.047 0.000 1.030 23 N CA 1.039 54.116 53.050 0.046 0.000 0.849 23 N CB -0.189 38.314 38.487 0.027 0.000 1.012 23 N HN -0.064 nan 8.380 nan 0.000 0.423 24 V N 0.256 120.188 119.914 0.031 0.000 2.343 24 V HA -0.219 3.900 4.120 -0.001 0.000 0.247 24 V C 2.199 178.315 176.094 0.036 0.000 1.051 24 V CA 2.091 64.408 62.300 0.029 0.000 1.036 24 V CB -1.061 30.773 31.823 0.020 0.000 0.654 24 V HN 0.404 nan 8.190 nan 0.000 0.451 25 T N -0.617 113.958 114.554 0.035 0.000 2.720 25 T HA -0.267 4.082 4.350 -0.001 0.000 0.268 25 T C 1.884 176.615 174.700 0.052 0.000 1.037 25 T CA 1.960 64.082 62.100 0.036 0.000 1.144 25 T CB -0.211 68.674 68.868 0.029 0.000 0.864 25 T HN 0.650 nan 8.240 nan 0.000 0.444 26 E N 0.420 120.658 120.200 0.064 0.000 2.106 26 E HA -0.057 4.292 4.350 -0.001 0.000 0.192 26 E C 2.158 178.828 176.600 0.118 0.000 0.984 26 E CA 0.630 57.079 56.400 0.082 0.000 0.806 26 E CB -0.160 29.592 29.700 0.087 0.000 0.750 26 E HN 0.432 nan 8.360 nan 0.000 0.458 27 L N 0.655 121.955 121.223 0.128 0.000 2.046 27 L HA -0.193 4.147 4.340 -0.001 0.000 0.208 27 L C 2.556 179.529 176.870 0.172 0.000 1.077 27 L CA 1.379 56.319 54.840 0.167 0.000 0.747 27 L CB -0.262 41.871 42.059 0.124 0.000 0.896 27 L HN 0.037 nan 8.230 nan 0.000 0.432 28 K N 0.027 120.489 120.400 0.103 0.000 2.057 28 K HA -0.229 4.090 4.320 -0.001 0.000 0.207 28 K C 2.170 178.865 176.600 0.159 0.000 1.049 28 K CA 1.384 57.725 56.287 0.091 0.000 0.931 28 K CB -0.107 32.408 32.500 0.025 0.000 0.714 28 K HN 0.124 nan 8.250 nan 0.000 0.440 29 K N 0.840 121.313 120.400 0.122 0.000 2.032 29 K HA -0.138 4.182 4.320 -0.001 0.000 0.209 29 K C 1.769 178.448 176.600 0.132 0.000 1.048 29 K CA 1.560 57.911 56.287 0.107 0.000 0.927 29 K CB 0.081 32.625 32.500 0.072 0.000 0.712 29 K HN 0.081 nan 8.250 nan 0.000 0.441 30 N N -0.089 118.704 118.700 0.156 0.000 2.300 30 N HA -0.125 4.615 4.740 -0.001 0.000 0.179 30 N C 1.570 177.222 175.510 0.237 0.000 1.016 30 N CA 0.759 53.896 53.050 0.146 0.000 0.876 30 N CB -0.255 38.325 38.487 0.156 0.000 0.979 30 N HN 0.149 nan 8.380 nan 0.000 0.432 31 F N 2.682 122.727 119.950 0.158 0.000 2.069 31 F HA -0.166 4.360 4.527 -0.001 0.000 0.298 31 F C 1.949 177.845 175.800 0.161 0.000 1.113 31 F CA 1.446 59.552 58.000 0.176 0.000 1.214 31 F CB -0.240 38.835 39.000 0.126 0.000 0.978 31 F HN -0.021 nan 8.300 nan 0.000 0.474 32 N N 0.354 119.262 118.700 0.347 0.000 2.166 32 N HA -0.179 4.561 4.740 -0.001 0.000 0.186 32 N C 2.040 177.610 175.510 0.099 0.000 1.019 32 N CA 1.170 54.346 53.050 0.211 0.000 0.856 32 N CB -0.553 38.045 38.487 0.184 0.000 0.993 32 N HN 0.372 nan 8.380 nan 0.000 0.426 33 R N 0.176 120.736 120.500 0.100 0.000 2.073 33 R HA -0.109 4.230 4.340 -0.001 0.000 0.234 33 R C 1.902 178.271 176.300 0.115 0.000 1.134 33 R CA 1.271 57.449 56.100 0.130 0.000 0.952 33 R CB -0.133 30.200 30.300 0.056 0.000 0.850 33 R HN 0.342 nan 8.270 nan 0.000 0.433 34 H N 0.112 119.213 119.070 0.051 0.000 2.389 34 H HA -0.121 4.434 4.556 -0.001 0.000 0.299 34 H C 2.046 177.293 175.328 -0.135 0.000 1.081 34 H CA 1.401 57.411 56.048 -0.063 0.000 1.345 34 H CB -0.124 29.552 29.762 -0.144 0.000 1.393 34 H HN 0.171 nan 8.280 nan 0.000 0.520 35 L N 0.396 121.583 121.223 -0.060 0.000 2.042 35 L HA -0.203 4.137 4.340 -0.001 0.000 0.210 35 L C 2.463 179.304 176.870 -0.049 0.000 1.076 35 L CA 1.905 56.689 54.840 -0.093 0.000 0.749 35 L CB -0.586 41.433 42.059 -0.067 0.000 0.893 35 L HN 0.229 nan 8.230 nan 0.000 0.432 36 H N -1.699 117.280 119.070 -0.151 0.000 2.260 36 H HA -0.101 4.454 4.556 -0.001 0.000 0.304 36 H C 1.843 176.983 175.328 -0.313 0.000 1.059 36 H CA 2.386 58.254 56.048 -0.299 0.000 1.305 36 H CB -0.333 29.134 29.762 -0.492 0.000 1.388 36 H HN 0.284 nan 8.280 nan 0.000 0.496 37 F N -0.444 119.504 119.950 -0.003 0.000 2.293 37 F HA -0.030 4.496 4.527 -0.001 0.000 0.297 37 F C 2.549 178.279 175.800 -0.118 0.000 1.089 37 F CA 1.402 59.355 58.000 -0.079 0.000 1.377 37 F CB -0.289 38.697 39.000 -0.023 0.000 1.051 37 F HN 0.206 nan 8.300 nan 0.000 0.511 38 T N -0.488 114.095 114.554 0.048 0.000 3.010 38 T HA 0.107 4.457 4.350 -0.001 0.000 0.252 38 T C 1.687 176.286 174.700 -0.169 0.000 1.047 38 T CA 0.599 62.646 62.100 -0.089 0.000 1.140 38 T CB 0.093 68.859 68.868 -0.170 0.000 0.885 38 T HN -0.035 nan 8.240 nan 0.000 0.464 39 L N 1.089 122.222 121.223 -0.150 0.000 2.616 39 L HA 0.294 4.633 4.340 -0.001 0.000 0.229 39 L C 0.719 177.510 176.870 -0.132 0.000 1.110 39 L CA 0.419 55.176 54.840 -0.140 0.000 0.884 39 L CB -0.552 41.439 42.059 -0.114 0.000 1.115 39 L HN 0.074 nan 8.230 nan 0.000 0.481 40 V N 0.112 119.924 119.914 -0.171 0.000 5.767 40 V HA -0.267 3.853 4.120 -0.001 0.000 0.311 40 V C 0.364 176.353 176.094 -0.175 0.000 0.532 40 V CA 0.952 63.125 62.300 -0.213 0.000 0.659 40 V CB -2.111 29.617 31.823 -0.159 0.000 0.353 40 V HN 0.398 nan 8.190 nan 0.000 1.082 41 K N 0.321 120.626 120.400 -0.157 0.000 2.477 41 K HA 0.632 4.952 4.320 -0.001 0.000 0.255 41 K C -0.374 176.201 176.600 -0.042 0.000 0.952 41 K CA -0.795 55.433 56.287 -0.098 0.000 0.826 41 K CB 2.621 35.061 32.500 -0.100 0.000 1.331 41 K HN 0.248 nan 8.250 nan 0.000 0.437 42 D N 0.599 120.992 120.400 -0.012 0.000 2.440 42 D HA 0.273 4.912 4.640 -0.001 0.000 0.258 42 D C 0.934 177.272 176.300 0.063 0.000 1.092 42 D CA -0.422 53.601 54.000 0.039 0.000 1.016 42 D CB 1.208 42.026 40.800 0.030 0.000 1.141 42 D HN 0.167 nan 8.370 nan 0.000 0.552 43 R N 0.763 121.328 120.500 0.108 0.000 2.280 43 R HA 0.001 4.341 4.340 -0.001 0.000 0.207 43 R C 1.100 177.473 176.300 0.121 0.000 1.043 43 R CA 0.387 56.590 56.100 0.172 0.000 1.006 43 R CB -0.299 30.102 30.300 0.169 0.000 0.885 43 R HN 0.387 nan 8.270 nan 0.000 0.467 44 N N 0.284 119.022 118.700 0.064 0.000 2.173 44 N HA -0.097 4.643 4.740 -0.001 0.000 0.184 44 N C 1.708 177.232 175.510 0.023 0.000 1.025 44 N CA 1.617 54.692 53.050 0.042 0.000 0.852 44 N CB 0.081 38.583 38.487 0.024 0.000 0.998 44 N HN 0.186 nan 8.380 nan 0.000 0.427 45 V N -1.952 117.961 119.914 -0.001 0.000 3.621 45 V HA 0.492 4.612 4.120 -0.001 0.000 0.285 45 V C 0.840 176.888 176.094 -0.077 0.000 1.346 45 V CA -0.482 61.800 62.300 -0.029 0.000 1.104 45 V CB -0.647 31.157 31.823 -0.032 0.000 0.913 45 V HN 0.085 nan 8.190 nan 0.000 0.432 46 A N 2.566 125.319 122.820 -0.113 0.000 2.524 46 A HA 0.472 4.792 4.320 -0.001 0.000 0.250 46 A C 0.902 178.244 177.584 -0.403 0.000 1.078 46 A CA 0.815 52.666 52.037 -0.311 0.000 0.761 46 A CB -0.443 18.271 19.000 -0.476 0.000 1.012 46 A HN 0.816 nan 8.150 nan 0.000 0.500 47 T N 1.114 115.461 114.554 -0.345 0.000 2.849 47 T HA 0.434 4.784 4.350 -0.001 0.000 0.284 47 T C -1.819 172.702 174.700 -0.298 0.000 1.004 47 T CA -1.388 60.569 62.100 -0.238 0.000 1.021 47 T CB 0.768 69.547 68.868 -0.147 0.000 1.013 47 T HN 0.310 nan 8.240 nan 0.000 0.527 48 P HA -0.070 nan 4.420 nan 0.000 0.215 48 P C 1.663 178.981 177.300 0.030 0.000 1.153 48 P CA 0.933 64.070 63.100 0.063 0.000 0.853 48 P CB 0.027 31.763 31.700 0.060 0.000 0.788 49 R N -0.058 120.391 120.500 -0.085 0.000 2.081 49 R HA -0.154 4.185 4.340 -0.001 0.000 0.235 49 R C 1.729 177.977 176.300 -0.086 0.000 1.131 49 R CA 1.780 57.787 56.100 -0.155 0.000 0.960 49 R CB -0.764 29.359 30.300 -0.296 0.000 0.856 49 R HN 0.050 nan 8.270 nan 0.000 0.436 50 D N -0.342 120.010 120.400 -0.081 0.000 2.116 50 D HA -0.202 4.437 4.640 -0.001 0.000 0.193 50 D C 1.722 178.023 176.300 0.003 0.000 0.998 50 D CA 1.399 55.369 54.000 -0.050 0.000 0.836 50 D CB -0.333 40.327 40.800 -0.234 0.000 0.951 50 D HN 0.298 nan 8.370 nan 0.000 0.449 51 Y N -0.255 120.102 120.300 0.095 0.000 2.200 51 Y HA -0.181 4.368 4.550 -0.001 0.000 0.290 51 Y C 2.299 178.321 175.900 0.203 0.000 1.137 51 Y CA 0.343 58.556 58.100 0.189 0.000 1.163 51 Y CB -1.217 37.413 38.460 0.283 0.000 0.988 51 Y HN 0.104 nan 8.280 nan 0.000 0.518 52 Y N -0.460 119.963 120.300 0.206 0.000 2.128 52 Y HA -0.290 4.259 4.550 -0.001 0.000 0.284 52 Y C 1.967 177.943 175.900 0.127 0.000 1.154 52 Y CA 1.355 59.518 58.100 0.106 0.000 1.149 52 Y CB -0.984 37.431 38.460 -0.075 0.000 0.976 52 Y HN 0.002 nan 8.280 nan 0.000 0.505 53 F N 0.274 120.075 119.950 -0.249 0.000 2.186 53 F HA -0.077 4.450 4.527 -0.001 0.000 0.299 53 F C 2.630 178.288 175.800 -0.236 0.000 1.090 53 F CA 0.922 58.725 58.000 -0.328 0.000 1.307 53 F CB -1.344 37.599 39.000 -0.095 0.000 1.019 53 F HN 0.214 nan 8.300 nan 0.000 0.489 54 A N -0.245 122.537 122.820 -0.064 0.000 1.902 54 A HA -0.153 4.166 4.320 -0.001 0.000 0.217 54 A C 2.161 179.654 177.584 -0.150 0.000 1.181 54 A CA 1.522 53.385 52.037 -0.290 0.000 0.623 54 A CB -1.097 17.409 19.000 -0.823 0.000 0.818 54 A HN 0.319 nan 8.150 nan 0.000 0.443 55 L N -0.208 121.064 121.223 0.082 0.000 2.056 55 L HA -0.022 4.318 4.340 -0.001 0.000 0.207 55 L C 2.645 179.571 176.870 0.093 0.000 1.078 55 L CA 2.142 57.155 54.840 0.289 0.000 0.749 55 L CB -0.872 41.413 42.059 0.375 0.000 0.901 55 L HN 0.341 nan 8.230 nan 0.000 0.433 56 A N -1.183 121.563 122.820 -0.125 0.000 1.883 56 A HA -0.286 4.034 4.320 -0.001 0.000 0.217 56 A C 2.143 179.480 177.584 -0.411 0.000 1.186 56 A CA 2.064 53.948 52.037 -0.255 0.000 0.624 56 A CB -1.073 17.572 19.000 -0.593 0.000 0.822 56 A HN 0.666 nan 8.150 nan 0.000 0.444 57 H N -0.801 117.992 119.070 -0.461 0.000 2.389 57 H HA -0.045 4.510 4.556 -0.001 0.000 0.299 57 H C 2.363 177.480 175.328 -0.352 0.000 1.081 57 H CA 1.956 57.637 56.048 -0.612 0.000 1.345 57 H CB -0.317 28.755 29.762 -1.150 0.000 1.393 57 H HN 0.450 nan 8.280 nan 0.000 0.520 58 T N -0.269 114.286 114.554 0.001 0.000 2.684 58 T HA -0.146 4.204 4.350 -0.001 0.000 0.267 58 T C 2.249 177.131 174.700 0.303 0.000 1.036 58 T CA 1.445 63.705 62.100 0.265 0.000 1.148 58 T CB -0.418 68.660 68.868 0.349 0.000 0.863 58 T HN 0.093 nan 8.240 nan 0.000 0.436 59 V N 1.228 121.293 119.914 0.252 0.000 2.379 59 V HA -0.096 4.024 4.120 -0.001 0.000 0.245 59 V C 2.597 178.882 176.094 0.317 0.000 1.044 59 V CA 1.523 64.010 62.300 0.312 0.000 1.036 59 V CB -0.594 31.411 31.823 0.302 0.000 0.664 59 V HN 0.349 nan 8.190 nan 0.000 0.453 60 R N 0.235 120.845 120.500 0.183 0.000 2.117 60 R HA -0.228 4.111 4.340 -0.001 0.000 0.243 60 R C 1.975 178.351 176.300 0.127 0.000 1.143 60 R CA 2.128 58.304 56.100 0.127 0.000 0.968 60 R CB -0.399 29.759 30.300 -0.237 0.000 0.863 60 R HN 0.492 nan 8.270 nan 0.000 0.444 61 D N -0.409 120.057 120.400 0.110 0.000 2.182 61 D HA -0.153 4.487 4.640 -0.001 0.000 0.201 61 D C 1.514 177.816 176.300 0.004 0.000 0.986 61 D CA 1.329 55.365 54.000 0.060 0.000 0.847 61 D CB -0.307 40.519 40.800 0.043 0.000 0.942 61 D HN 0.501 nan 8.370 nan 0.000 0.467 62 H N -0.530 118.597 119.070 0.095 0.000 2.546 62 H HA 0.118 4.674 4.556 -0.001 0.000 0.277 62 H C 1.926 177.290 175.328 0.061 0.000 1.004 62 H CA 0.368 56.459 56.048 0.072 0.000 1.231 62 H CB 0.068 29.868 29.762 0.063 0.000 1.382 62 H HN 0.110 nan 8.280 nan 0.000 0.580 63 L N -0.802 120.522 121.223 0.168 0.000 2.341 63 L HA -0.052 4.288 4.340 -0.001 0.000 0.214 63 L C 1.875 178.838 176.870 0.155 0.000 1.115 63 L CA 0.115 55.020 54.840 0.109 0.000 0.820 63 L CB 0.094 42.184 42.059 0.051 0.000 0.944 63 L HN 0.168 nan 8.230 nan 0.000 0.452 64 V N 0.207 120.223 119.914 0.170 0.000 2.270 64 V HA -0.186 3.933 4.120 -0.001 0.000 0.245 64 V C 2.641 178.838 176.094 0.170 0.000 1.043 64 V CA 2.082 64.512 62.300 0.217 0.000 1.014 64 V CB -1.242 30.668 31.823 0.145 0.000 0.645 64 V HN 0.538 nan 8.190 nan 0.000 0.447 65 G N -0.174 108.686 108.800 0.099 0.000 2.446 65 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.217 65 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.217 65 G C 1.748 176.693 174.900 0.076 0.000 1.168 65 G CA 0.927 46.066 45.100 0.065 0.000 0.771 65 G HN 0.432 nan 8.290 nan 0.000 0.551 66 R N -1.424 119.127 120.500 0.085 0.000 2.091 66 R HA -0.110 4.229 4.340 -0.001 0.000 0.238 66 R C 2.285 178.667 176.300 0.138 0.000 1.136 66 R CA 1.317 57.458 56.100 0.069 0.000 0.959 66 R CB -0.368 29.956 30.300 0.041 0.000 0.856 66 R HN 0.489 nan 8.270 nan 0.000 0.437 67 W N 1.462 122.746 121.300 -0.026 0.000 2.355 67 W HA -0.066 4.594 4.660 -0.001 0.000 0.309 67 W C 1.765 178.268 176.519 -0.028 0.000 1.206 67 W CA 0.870 58.200 57.345 -0.025 0.000 1.284 67 W CB -0.608 28.852 29.460 0.001 0.000 1.145 67 W HN -0.023 nan 8.180 nan 0.000 0.502 68 I N 0.118 120.760 120.570 0.121 0.000 2.179 68 I HA -0.346 3.823 4.170 -0.001 0.000 0.242 68 I C 2.612 178.726 176.117 -0.005 0.000 1.088 68 I CA 1.584 62.876 61.300 -0.014 0.000 1.357 68 I CB -0.613 37.379 38.000 -0.014 0.000 1.051 68 I HN -0.109 nan 8.210 nan 0.000 0.409 69 R N -0.071 120.438 120.500 0.014 0.000 2.092 69 R HA -0.097 4.243 4.340 -0.001 0.000 0.231 69 R C 2.331 178.606 176.300 -0.041 0.000 1.119 69 R CA 1.718 57.814 56.100 -0.006 0.000 0.970 69 R CB -0.493 29.801 30.300 -0.010 0.000 0.864 69 R HN 0.358 nan 8.270 nan 0.000 0.440 70 T N 1.192 115.701 114.554 -0.075 0.000 2.674 70 T HA -0.137 4.213 4.350 -0.001 0.000 0.265 70 T C 1.800 176.289 174.700 -0.352 0.000 1.039 70 T CA 1.098 63.046 62.100 -0.253 0.000 1.150 70 T CB -0.077 68.675 68.868 -0.194 0.000 0.864 70 T HN 0.210 nan 8.240 nan 0.000 0.427 71 Q N 0.672 120.404 119.800 -0.113 0.000 2.167 71 Q HA -0.063 4.276 4.340 -0.001 0.000 0.202 71 Q C 2.335 178.382 176.000 0.079 0.000 0.970 71 Q CA 1.091 56.909 55.803 0.024 0.000 0.855 71 Q CB -0.410 28.362 28.738 0.057 0.000 0.911 71 Q HN 0.476 nan 8.270 nan 0.000 0.438 72 Q N 0.477 120.298 119.800 0.036 0.000 2.079 72 Q HA -0.190 4.149 4.340 -0.001 0.000 0.200 72 Q C 1.900 177.983 176.000 0.139 0.000 0.974 72 Q CA 1.982 57.832 55.803 0.078 0.000 0.840 72 Q CB -0.411 28.346 28.738 0.033 0.000 0.898 72 Q HN 0.584 nan 8.270 nan 0.000 0.430 73 H N -1.128 117.925 119.070 -0.028 0.000 2.387 73 H HA -0.180 4.375 4.556 -0.001 0.000 0.299 73 H C 1.101 176.484 175.328 0.091 0.000 1.099 73 H CA 2.166 58.201 56.048 -0.021 0.000 1.315 73 H CB -0.199 29.483 29.762 -0.134 0.000 1.380 73 H HN 0.348 nan 8.280 nan 0.000 0.513 74 Y N -0.972 119.386 120.300 0.098 0.000 2.242 74 Y HA -0.168 4.381 4.550 -0.001 0.000 0.291 74 Y C 2.419 178.339 175.900 0.034 0.000 1.137 74 Y CA 1.035 59.156 58.100 0.036 0.000 1.181 74 Y CB -1.330 37.210 38.460 0.133 0.000 0.989 74 Y HN 0.369 nan 8.280 nan 0.000 0.527 75 Y N 1.164 121.547 120.300 0.139 0.000 2.145 75 Y HA -0.236 4.313 4.550 -0.001 0.000 0.286 75 Y C 2.081 177.988 175.900 0.010 0.000 1.145 75 Y CA 2.090 60.231 58.100 0.069 0.000 1.148 75 Y CB -0.222 38.271 38.460 0.055 0.000 0.981 75 Y HN 0.177 nan 8.280 nan 0.000 0.507 76 E N 0.043 120.294 120.200 0.086 0.000 2.072 76 E HA -0.198 4.151 4.350 -0.001 0.000 0.191 76 E C 2.135 178.656 176.600 -0.132 0.000 0.985 76 E CA 1.255 57.642 56.400 -0.021 0.000 0.801 76 E CB -0.175 29.557 29.700 0.054 0.000 0.750 76 E HN 0.371 nan 8.360 nan 0.000 0.452 77 K N 1.120 121.412 120.400 -0.181 0.000 2.155 77 K HA -0.162 4.157 4.320 -0.001 0.000 0.203 77 K C 0.012 176.539 176.600 -0.121 0.000 1.052 77 K CA 1.106 57.285 56.287 -0.180 0.000 0.948 77 K CB 0.136 32.448 32.500 -0.313 0.000 0.728 77 K HN -0.063 nan 8.250 nan 0.000 0.448 78 D N 0.809 121.139 120.400 -0.118 0.000 2.697 78 D HA -0.098 4.541 4.640 -0.001 0.000 0.238 78 D C -2.409 173.848 176.300 -0.072 0.000 1.152 78 D CA 0.268 54.199 54.000 -0.115 0.000 0.666 78 D CB -0.180 40.518 40.800 -0.169 0.000 1.037 78 D HN 0.288 nan 8.370 nan 0.000 0.423 79 P HA 0.113 nan 4.420 nan 0.000 0.276 79 P C -0.080 177.178 177.300 -0.070 0.000 1.261 79 P CA -0.573 62.492 63.100 -0.058 0.000 0.800 79 P CB 0.656 32.315 31.700 -0.069 0.000 1.066 80 K N 1.174 121.537 120.400 -0.062 0.000 2.448 80 K HA 0.039 4.358 4.320 -0.001 0.000 0.278 80 K C 0.095 176.611 176.600 -0.139 0.000 1.009 80 K CA 0.110 56.353 56.287 -0.073 0.000 0.995 80 K CB 0.253 32.727 32.500 -0.043 0.000 0.917 80 K HN 0.323 nan 8.250 nan 0.000 0.481 81 R N 3.764 124.163 120.500 -0.168 0.000 2.407 81 R HA 0.370 4.709 4.340 -0.001 0.000 0.303 81 R C -0.519 175.490 176.300 -0.485 0.000 0.981 81 R CA -0.876 55.041 56.100 -0.304 0.000 0.905 81 R CB 0.993 31.135 30.300 -0.263 0.000 1.099 81 R HN 0.462 nan 8.270 nan 0.000 0.459 82 I N 3.822 124.039 120.570 -0.588 0.000 2.339 82 I HA 0.236 4.405 4.170 -0.001 0.000 0.290 82 I C -0.727 175.051 176.117 -0.565 0.000 0.994 82 I CA -0.900 60.011 61.300 -0.649 0.000 1.191 82 I CB 0.880 38.399 38.000 -0.802 0.000 1.343 82 I HN 0.525 nan 8.210 nan 0.000 0.458 83 Y N 5.955 126.217 120.300 -0.063 0.000 2.345 83 Y HA 0.308 4.857 4.550 -0.001 0.000 0.331 83 Y C -0.384 175.621 175.900 0.175 0.000 0.959 83 Y CA -0.774 57.419 58.100 0.154 0.000 1.204 83 Y CB 1.255 39.782 38.460 0.113 0.000 1.135 83 Y HN 0.401 nan 8.280 nan 0.000 0.477 84 Y N 4.667 125.157 120.300 0.316 0.000 2.504 84 Y HA 0.491 5.040 4.550 -0.001 0.000 0.339 84 Y C -0.893 175.276 175.900 0.449 0.000 0.974 84 Y CA -0.689 57.604 58.100 0.323 0.000 1.232 84 Y CB 0.390 39.038 38.460 0.313 0.000 1.108 84 Y HN 0.576 nan 8.280 nan 0.000 0.509 85 L N 5.231 126.530 121.223 0.128 0.000 2.264 85 L HA 0.480 4.819 4.340 -0.001 0.000 0.289 85 L C -0.211 176.725 176.870 0.110 0.000 1.044 85 L CA -0.205 54.769 54.840 0.224 0.000 0.807 85 L CB 1.069 43.212 42.059 0.140 0.000 1.192 85 L HN 0.565 nan 8.230 nan 0.000 0.425 86 S N 2.816 118.670 115.700 0.257 0.000 2.541 86 S HA 0.393 4.862 4.470 -0.001 0.000 0.271 86 S C 0.270 175.007 174.600 0.229 0.000 1.133 86 S CA -0.692 57.571 58.200 0.106 0.000 0.876 86 S CB 1.443 64.512 63.200 -0.219 0.000 1.105 86 S HN 0.495 nan 8.310 nan 0.000 0.470 87 L N 2.455 123.828 121.223 0.250 0.000 2.599 87 L HA 0.373 4.713 4.340 -0.001 0.000 0.230 87 L C 0.202 177.283 176.870 0.353 0.000 1.141 87 L CA 1.211 56.252 54.840 0.335 0.000 0.877 87 L CB -0.948 41.320 42.059 0.347 0.000 1.009 87 L HN 0.702 nan 8.230 nan 0.000 0.447 88 E N -0.929 119.367 120.200 0.159 0.000 2.290 88 E HA 0.368 4.718 4.350 -0.001 0.000 0.274 88 E C -1.523 174.972 176.600 -0.175 0.000 0.889 88 E CA -0.380 56.087 56.400 0.112 0.000 0.760 88 E CB 2.039 31.761 29.700 0.038 0.000 1.206 88 E HN -0.162 nan 8.360 nan 0.000 0.419 89 F N 2.185 122.246 119.950 0.186 0.000 2.610 89 F HA 0.192 4.718 4.527 -0.001 0.000 0.355 89 F C -0.711 175.181 175.800 0.153 0.000 1.140 89 F CA -0.756 57.340 58.000 0.160 0.000 1.037 89 F CB 0.933 40.018 39.000 0.141 0.000 1.287 89 F HN 0.492 nan 8.300 nan 0.000 0.457 90 Y N 5.299 125.670 120.300 0.118 0.000 2.636 90 Y HA 0.221 4.770 4.550 -0.001 0.000 0.334 90 Y C 0.901 176.822 175.900 0.035 0.000 1.286 90 Y CA -0.940 57.185 58.100 0.041 0.000 1.688 90 Y CB 0.274 38.743 38.460 0.015 0.000 1.662 90 Y HN 0.556 nan 8.280 nan 0.000 0.465 91 M N 0.984 120.693 119.600 0.182 0.000 2.388 91 M HA 0.126 4.606 4.480 -0.001 0.000 0.265 91 M C 1.553 177.820 176.300 -0.055 0.000 1.088 91 M CA 1.005 56.337 55.300 0.053 0.000 1.134 91 M CB -1.047 31.574 32.600 0.035 0.000 1.384 91 M HN 0.661 nan 8.290 nan 0.000 0.447 92 G N 1.422 110.185 108.800 -0.062 0.000 2.569 92 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.259 92 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.259 92 G C -0.215 174.633 174.900 -0.088 0.000 1.263 92 G CA -0.282 44.750 45.100 -0.113 0.000 0.928 92 G HN 0.436 nan 8.290 nan 0.000 0.572 93 R N -0.937 119.496 120.500 -0.113 0.000 2.528 93 R HA 0.627 4.966 4.340 -0.001 0.000 0.271 93 R C 0.998 177.179 176.300 -0.199 0.000 1.056 93 R CA 0.148 56.194 56.100 -0.090 0.000 1.117 93 R CB 0.920 31.180 30.300 -0.066 0.000 1.085 93 R HN 0.516 nan 8.270 nan 0.000 0.530 94 T N 0.753 115.123 114.554 -0.308 0.000 2.978 94 T HA -0.000 4.349 4.350 -0.001 0.000 0.248 94 T C 1.397 175.666 174.700 -0.719 0.000 1.018 94 T CA -0.133 61.575 62.100 -0.654 0.000 1.026 94 T CB 0.153 68.320 68.868 -1.169 0.000 1.032 94 T HN 0.304 nan 8.240 nan 0.000 0.485 95 L N 1.945 122.946 121.223 -0.370 0.000 1.989 95 L HA -0.014 4.326 4.340 -0.001 0.000 0.211 95 L C 2.445 179.267 176.870 -0.081 0.000 1.071 95 L CA 1.998 56.794 54.840 -0.074 0.000 0.749 95 L CB -0.652 41.621 42.059 0.357 0.000 0.890 95 L HN 0.176 nan 8.230 nan 0.000 0.431 96 Q N -0.830 118.930 119.800 -0.067 0.000 2.084 96 Q HA -0.268 4.071 4.340 -0.001 0.000 0.202 96 Q C 2.121 178.053 176.000 -0.114 0.000 0.978 96 Q CA 1.916 57.680 55.803 -0.065 0.000 0.844 96 Q CB -0.164 28.534 28.738 -0.065 0.000 0.898 96 Q HN 0.660 nan 8.270 nan 0.000 0.426 97 N N -0.746 117.846 118.700 -0.180 0.000 2.104 97 N HA -0.134 4.606 4.740 -0.001 0.000 0.190 97 N C 1.471 176.881 175.510 -0.167 0.000 1.024 97 N CA 2.097 55.035 53.050 -0.186 0.000 0.853 97 N CB -0.155 38.190 38.487 -0.237 0.000 1.008 97 N HN 0.148 nan 8.380 nan 0.000 0.424 98 T N 0.304 114.724 114.554 -0.225 0.000 2.777 98 T HA -0.073 4.276 4.350 -0.001 0.000 0.266 98 T C 1.917 176.563 174.700 -0.089 0.000 1.040 98 T CA 1.271 63.261 62.100 -0.183 0.000 1.141 98 T CB -0.175 68.544 68.868 -0.248 0.000 0.868 98 T HN 0.254 nan 8.240 nan 0.000 0.444 99 M N 0.588 120.150 119.600 -0.063 0.000 2.086 99 M HA -0.092 4.387 4.480 -0.001 0.000 0.261 99 M C 2.495 178.768 176.300 -0.045 0.000 1.067 99 M CA 1.290 56.566 55.300 -0.040 0.000 1.116 99 M CB -0.682 31.910 32.600 -0.013 0.000 1.348 99 M HN 0.091 nan 8.290 nan 0.000 0.407 100 V N 0.977 120.871 119.914 -0.033 0.000 2.287 100 V HA -0.292 3.827 4.120 -0.001 0.000 0.248 100 V C 1.988 178.101 176.094 0.032 0.000 1.053 100 V CA 1.841 64.150 62.300 0.014 0.000 1.027 100 V CB -0.878 30.957 31.823 0.021 0.000 0.646 100 V HN 0.509 nan 8.190 nan 0.000 0.447 101 N N -0.159 118.544 118.700 0.005 0.000 2.396 101 N HA 0.002 4.741 4.740 -0.001 0.000 0.180 101 N C 1.435 176.852 175.510 -0.156 0.000 1.028 101 N CA 0.995 54.028 53.050 -0.028 0.000 0.893 101 N CB 0.069 38.550 38.487 -0.011 0.000 0.967 101 N HN 0.431 nan 8.380 nan 0.000 0.440 102 L N 0.124 121.275 121.223 -0.120 0.000 2.640 102 L HA 0.290 4.629 4.340 -0.001 0.000 0.230 102 L C 0.732 177.521 176.870 -0.135 0.000 1.123 102 L CA -0.152 54.614 54.840 -0.123 0.000 0.900 102 L CB 0.081 42.092 42.059 -0.081 0.000 1.146 102 L HN -0.067 nan 8.230 nan 0.000 0.484 103 A N 0.459 123.197 122.820 -0.137 0.000 2.872 103 A HA -0.213 4.107 4.320 -0.001 0.000 0.273 103 A C 0.931 178.462 177.584 -0.088 0.000 1.442 103 A CA 0.936 52.907 52.037 -0.111 0.000 0.801 103 A CB -2.073 16.849 19.000 -0.131 0.000 1.031 103 A HN 0.431 nan 8.150 nan 0.000 0.582 104 L N -1.393 119.776 121.223 -0.089 0.000 2.640 104 L HA 0.148 4.488 4.340 -0.001 0.000 0.230 104 L C 1.952 178.789 176.870 -0.055 0.000 1.123 104 L CA 0.765 55.547 54.840 -0.097 0.000 0.900 104 L CB 0.056 42.024 42.059 -0.151 0.000 1.146 104 L HN 0.648 nan 8.230 nan 0.000 0.484 105 E N 0.810 120.988 120.200 -0.036 0.000 2.031 105 E HA -0.229 4.120 4.350 -0.001 0.000 0.193 105 E C 1.699 178.290 176.600 -0.014 0.000 0.994 105 E CA 1.359 57.749 56.400 -0.017 0.000 0.800 105 E CB 0.241 29.935 29.700 -0.011 0.000 0.752 105 E HN 0.393 nan 8.360 nan 0.000 0.447 106 N N 0.074 118.762 118.700 -0.019 0.000 2.223 106 N HA -0.119 4.620 4.740 -0.001 0.000 0.185 106 N C 1.476 176.974 175.510 -0.019 0.000 1.016 106 N CA 1.164 54.202 53.050 -0.020 0.000 0.863 106 N CB -0.280 38.195 38.487 -0.022 0.000 0.983 106 N HN 0.237 nan 8.380 nan 0.000 0.429 107 A N 0.151 122.958 122.820 -0.022 0.000 1.898 107 A HA -0.101 4.218 4.320 -0.001 0.000 0.216 107 A C 2.622 180.202 177.584 -0.007 0.000 1.181 107 A CA 1.080 53.107 52.037 -0.017 0.000 0.620 107 A CB -0.907 18.076 19.000 -0.028 0.000 0.819 107 A HN 0.416 nan 8.150 nan 0.000 0.442 108 C N -0.727 118.569 119.300 -0.007 0.000 2.440 108 C HA -0.067 4.393 4.460 -0.001 0.000 0.278 108 C C 2.461 177.455 174.990 0.007 0.000 1.295 108 C CA 1.174 60.199 59.018 0.011 0.000 1.738 108 C CB -1.061 26.697 27.740 0.031 0.000 1.987 108 C HN 0.697 nan 8.230 nan 0.000 0.492 109 D N 0.682 121.086 120.400 0.007 0.000 2.117 109 D HA -0.142 4.498 4.640 -0.001 0.000 0.197 109 D C 2.126 178.441 176.300 0.025 0.000 0.987 109 D CA 1.475 55.482 54.000 0.011 0.000 0.829 109 D CB -0.247 40.550 40.800 -0.006 0.000 0.961 109 D HN 0.485 nan 8.370 nan 0.000 0.460 110 E N 0.123 120.331 120.200 0.014 0.000 2.072 110 E HA -0.038 4.312 4.350 -0.001 0.000 0.191 110 E C 1.861 178.499 176.600 0.064 0.000 0.985 110 E CA 1.472 57.899 56.400 0.045 0.000 0.801 110 E CB -0.498 29.210 29.700 0.014 0.000 0.750 110 E HN 0.214 nan 8.360 nan 0.000 0.452 111 A N -0.028 122.797 122.820 0.009 0.000 1.883 111 A HA -0.212 4.108 4.320 -0.001 0.000 0.217 111 A C 2.511 180.025 177.584 -0.116 0.000 1.186 111 A CA 2.818 54.833 52.037 -0.037 0.000 0.624 111 A CB -1.485 17.495 19.000 -0.034 0.000 0.822 111 A HN 0.518 nan 8.150 nan 0.000 0.444 112 T N -3.640 110.837 114.554 -0.129 0.000 2.821 112 T HA -0.213 4.136 4.350 -0.001 0.000 0.267 112 T C 1.851 176.471 174.700 -0.133 0.000 1.046 112 T CA 1.524 63.488 62.100 -0.227 0.000 1.139 112 T CB -0.619 68.149 68.868 -0.167 0.000 0.871 112 T HN 0.460 nan 8.240 nan 0.000 0.454 113 Y N 2.282 122.505 120.300 -0.129 0.000 2.128 113 Y HA -0.156 4.394 4.550 -0.001 0.000 0.284 113 Y C 2.688 178.529 175.900 -0.098 0.000 1.154 113 Y CA 1.761 59.804 58.100 -0.095 0.000 1.149 113 Y CB -0.601 37.821 38.460 -0.062 0.000 0.976 113 Y HN 0.246 nan 8.280 nan 0.000 0.505 114 Q N -0.206 119.531 119.800 -0.105 0.000 2.234 114 Q HA -0.156 4.184 4.340 -0.001 0.000 0.206 114 Q C 1.935 177.805 176.000 -0.217 0.000 0.980 114 Q CA 1.542 57.242 55.803 -0.170 0.000 0.869 114 Q CB -0.179 28.535 28.738 -0.039 0.000 0.912 114 Q HN 0.536 nan 8.270 nan 0.000 0.436 115 L N -0.978 120.102 121.223 -0.238 0.000 2.591 115 L HA 0.145 4.484 4.340 -0.001 0.000 0.228 115 L C 0.981 177.689 176.870 -0.270 0.000 1.133 115 L CA 0.305 54.992 54.840 -0.255 0.000 0.880 115 L CB 0.072 41.914 42.059 -0.363 0.000 1.033 115 L HN 0.334 nan 8.230 nan 0.000 0.450 116 G N 0.794 109.413 108.800 -0.302 0.000 2.171 116 G HA2 -0.239 3.720 3.960 -0.001 0.000 0.238 116 G HA3 -0.239 3.720 3.960 -0.001 0.000 0.238 116 G C -0.223 174.545 174.900 -0.220 0.000 1.039 116 G CA -0.184 44.753 45.100 -0.271 0.000 0.759 116 G HN 0.226 nan 8.290 nan 0.000 0.501 117 L N -0.233 120.860 121.223 -0.217 0.000 2.370 117 L HA 0.608 4.948 4.340 -0.001 0.000 0.266 117 L C -0.705 176.134 176.870 -0.051 0.000 1.002 117 L CA -1.200 53.545 54.840 -0.159 0.000 0.818 117 L CB 2.019 43.922 42.059 -0.260 0.000 1.325 117 L HN 0.100 nan 8.230 nan 0.000 0.418 118 D N 2.251 122.652 120.400 0.001 0.000 2.359 118 D HA 0.182 4.822 4.640 -0.001 0.000 0.230 118 D C 0.646 176.978 176.300 0.053 0.000 1.118 118 D CA -0.260 53.768 54.000 0.047 0.000 0.844 118 D CB 1.511 42.342 40.800 0.053 0.000 1.059 118 D HN 0.532 nan 8.370 nan 0.000 0.493 119 M N 3.166 122.800 119.600 0.055 0.000 2.213 119 M HA -0.144 4.336 4.480 -0.001 0.000 0.263 119 M C 1.245 177.596 176.300 0.084 0.000 1.062 119 M CA 1.522 56.866 55.300 0.073 0.000 1.105 119 M CB 0.207 32.843 32.600 0.061 0.000 1.385 119 M HN 0.421 nan 8.290 nan 0.000 0.417 120 E N -0.097 120.142 120.200 0.065 0.000 2.150 120 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 120 E C 1.825 178.462 176.600 0.063 0.000 0.985 120 E CA 1.259 57.694 56.400 0.059 0.000 0.814 120 E CB -0.109 29.620 29.700 0.047 0.000 0.752 120 E HN 0.661 nan 8.360 nan 0.000 0.466 121 E N 0.704 120.944 120.200 0.067 0.000 2.077 121 E HA -0.169 4.181 4.350 -0.001 0.000 0.193 121 E C 2.245 178.891 176.600 0.077 0.000 0.989 121 E CA 0.750 57.189 56.400 0.065 0.000 0.800 121 E CB -0.041 29.698 29.700 0.066 0.000 0.746 121 E HN 0.259 nan 8.360 nan 0.000 0.452 122 L N 0.768 122.062 121.223 0.120 0.000 2.046 122 L HA -0.191 4.149 4.340 -0.001 0.000 0.208 122 L C 2.279 179.243 176.870 0.156 0.000 1.077 122 L CA 1.245 56.199 54.840 0.190 0.000 0.747 122 L CB -0.501 41.723 42.059 0.275 0.000 0.896 122 L HN 0.132 nan 8.230 nan 0.000 0.432 123 E N -0.062 120.216 120.200 0.129 0.000 2.153 123 E HA -0.202 4.148 4.350 -0.001 0.000 0.194 123 E C 1.973 178.554 176.600 -0.032 0.000 0.988 123 E CA 0.810 57.259 56.400 0.082 0.000 0.811 123 E CB 0.041 29.785 29.700 0.074 0.000 0.746 123 E HN 0.371 nan 8.360 nan 0.000 0.466 124 E N 0.244 120.432 120.200 -0.020 0.000 2.409 124 E HA -0.120 4.229 4.350 -0.001 0.000 0.198 124 E C 1.824 178.363 176.600 -0.102 0.000 1.024 124 E CA 0.575 56.956 56.400 -0.032 0.000 0.861 124 E CB 0.031 29.741 29.700 0.016 0.000 0.788 124 E HN 0.418 nan 8.360 nan 0.000 0.521 125 I N 0.775 121.216 120.570 -0.214 0.000 2.761 125 I HA -0.095 4.075 4.170 -0.001 0.000 0.261 125 I C 1.338 177.163 176.117 -0.486 0.000 1.198 125 I CA 0.210 61.311 61.300 -0.331 0.000 1.482 125 I CB 0.122 37.908 38.000 -0.357 0.000 1.100 125 I HN -0.042 nan 8.210 nan 0.000 0.445 126 E N 2.651 122.482 120.200 -0.615 0.000 2.376 126 E HA -0.016 4.333 4.350 -0.001 0.000 0.266 126 E C -0.212 176.347 176.600 -0.068 0.000 1.009 126 E CA -0.330 55.818 56.400 -0.420 0.000 0.902 126 E CB 0.639 30.213 29.700 -0.209 0.000 0.972 126 E HN 0.085 nan 8.360 nan 0.000 0.439 127 E N 3.415 123.668 120.200 0.088 0.000 2.373 127 E HA 0.036 4.385 4.350 -0.001 0.000 0.267 127 E C -0.743 175.970 176.600 0.188 0.000 1.032 127 E CA -0.055 56.456 56.400 0.186 0.000 0.889 127 E CB 0.575 30.468 29.700 0.321 0.000 0.984 127 E HN 0.487 nan 8.360 nan 0.000 0.425 128 D N 0.742 121.213 120.400 0.119 0.000 2.443 128 D HA 0.141 4.781 4.640 -0.001 0.000 0.239 128 D C -0.263 176.057 176.300 0.033 0.000 1.136 128 D CA 0.233 54.267 54.000 0.057 0.000 0.879 128 D CB 0.532 41.338 40.800 0.010 0.000 1.195 128 D HN 0.395 nan 8.370 nan 0.000 0.443 129 A N 2.365 125.147 122.820 -0.063 0.000 2.805 129 A HA 0.466 4.785 4.320 -0.001 0.000 0.301 129 A C 0.979 178.392 177.584 -0.286 0.000 1.557 129 A CA -0.427 51.347 52.037 -0.439 0.000 1.254 129 A CB -0.329 18.484 19.000 -0.313 0.000 1.114 129 A HN 0.542 nan 8.150 nan 0.000 0.553 130 G N 1.972 110.582 108.800 -0.316 0.000 3.717 130 G HA2 0.427 4.386 3.960 -0.001 0.000 0.258 130 G HA3 0.427 4.386 3.960 -0.001 0.000 0.258 130 G C 0.269 175.048 174.900 -0.202 0.000 1.088 130 G CA -0.299 44.761 45.100 -0.067 0.000 1.737 130 G HN 0.683 nan 8.290 nan 0.000 0.648 131 L N 1.330 122.464 121.223 -0.149 0.000 2.888 131 L HA 0.403 4.743 4.340 -0.001 0.000 0.237 131 L C 1.068 177.906 176.870 -0.053 0.000 1.288 131 L CA -0.267 54.549 54.840 -0.040 0.000 1.110 131 L CB -0.185 41.952 42.059 0.129 0.000 1.441 131 L HN 0.332 nan 8.230 nan 0.000 0.474 132 G N -1.335 107.218 108.800 -0.411 0.000 2.682 132 G HA2 0.228 4.187 3.960 -0.001 0.000 0.290 132 G HA3 0.228 4.187 3.960 -0.001 0.000 0.290 132 G C -0.165 174.153 174.900 -0.969 0.000 1.425 132 G CA -0.412 44.336 45.100 -0.587 0.000 0.807 132 G HN -0.095 nan 8.290 nan 0.000 0.482 133 N N -0.935 117.426 118.700 -0.565 0.000 2.482 133 N HA 0.234 4.973 4.740 -0.001 0.000 0.179 133 N C 1.075 176.509 175.510 -0.127 0.000 1.039 133 N CA 1.228 54.087 53.050 -0.319 0.000 0.884 133 N CB 1.364 39.813 38.487 -0.063 0.000 1.113 133 N HN 0.821 nan 8.380 nan 0.000 0.440 134 G N -0.778 108.042 108.800 0.033 0.000 2.818 134 G HA2 0.230 4.190 3.960 -0.001 0.000 0.109 134 G HA3 0.230 4.190 3.960 -0.001 0.000 0.109 134 G C 0.663 175.711 174.900 0.246 0.000 1.206 134 G CA 0.221 45.487 45.100 0.276 0.000 1.243 134 G HN 0.145 nan 8.290 nan 0.000 0.609 135 G N 0.296 109.184 108.800 0.146 0.000 2.446 135 G HA2 -0.063 3.896 3.960 -0.001 0.000 0.217 135 G HA3 -0.063 3.896 3.960 -0.001 0.000 0.217 135 G C 1.883 176.806 174.900 0.037 0.000 1.168 135 G CA 1.463 46.615 45.100 0.086 0.000 0.771 135 G HN 0.793 nan 8.290 nan 0.000 0.551 136 L N 0.642 121.850 121.223 -0.025 0.000 2.046 136 L HA 0.067 4.407 4.340 -0.001 0.000 0.208 136 L C 2.810 179.617 176.870 -0.105 0.000 1.077 136 L CA 1.964 56.693 54.840 -0.185 0.000 0.747 136 L CB -0.539 41.312 42.059 -0.346 0.000 0.896 136 L HN 0.249 nan 8.230 nan 0.000 0.432 137 G N -0.668 108.123 108.800 -0.016 0.000 2.408 137 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.217 137 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.217 137 G C 1.635 176.610 174.900 0.125 0.000 1.150 137 G CA 0.662 45.774 45.100 0.020 0.000 0.776 137 G HN 0.296 nan 8.290 nan 0.000 0.542 138 R N -0.051 120.572 120.500 0.205 0.000 2.115 138 R HA 0.161 4.500 4.340 -0.001 0.000 0.226 138 R C 2.279 178.594 176.300 0.026 0.000 1.100 138 R CA 0.676 56.869 56.100 0.154 0.000 0.980 138 R CB -0.835 29.529 30.300 0.107 0.000 0.875 138 R HN 0.320 nan 8.270 nan 0.000 0.445 139 L N 0.270 121.442 121.223 -0.084 0.000 2.012 139 L HA -0.035 4.305 4.340 -0.001 0.000 0.210 139 L C 2.105 178.676 176.870 -0.497 0.000 1.073 139 L CA 2.229 56.872 54.840 -0.328 0.000 0.748 139 L CB -0.947 40.891 42.059 -0.369 0.000 0.891 139 L HN 0.255 nan 8.230 nan 0.000 0.431 140 A N -0.521 122.116 122.820 -0.304 0.000 1.917 140 A HA -0.244 4.075 4.320 -0.001 0.000 0.219 140 A C 2.445 180.047 177.584 0.030 0.000 1.182 140 A CA 2.279 54.179 52.037 -0.229 0.000 0.633 140 A CB -1.276 17.521 19.000 -0.338 0.000 0.819 140 A HN 0.603 nan 8.150 nan 0.000 0.448 141 A N -1.251 121.637 122.820 0.114 0.000 1.898 141 A HA -0.144 4.176 4.320 -0.001 0.000 0.216 141 A C 2.323 179.988 177.584 0.135 0.000 1.181 141 A CA 1.628 53.779 52.037 0.191 0.000 0.620 141 A CB -1.268 17.837 19.000 0.175 0.000 0.819 141 A HN 0.616 nan 8.150 nan 0.000 0.442 142 C N -1.443 117.932 119.300 0.125 0.000 2.425 142 C HA -0.071 4.389 4.460 -0.001 0.000 0.277 142 C C 2.424 177.576 174.990 0.269 0.000 1.280 142 C CA 0.634 59.764 59.018 0.186 0.000 1.744 142 C CB -1.619 26.251 27.740 0.216 0.000 1.989 142 C HN 0.605 nan 8.230 nan 0.000 0.491 143 F N 1.165 121.099 119.950 -0.025 0.000 2.134 143 F HA -0.066 4.460 4.527 -0.001 0.000 0.299 143 F C 2.252 178.004 175.800 -0.080 0.000 1.097 143 F CA 0.998 58.933 58.000 -0.109 0.000 1.264 143 F CB -1.358 37.432 39.000 -0.350 0.000 1.001 143 F HN 0.195 nan 8.300 nan 0.000 0.479 144 L N -0.446 120.866 121.223 0.149 0.000 2.046 144 L HA -0.245 4.095 4.340 -0.001 0.000 0.208 144 L C 2.397 179.291 176.870 0.039 0.000 1.077 144 L CA 1.898 56.783 54.840 0.075 0.000 0.747 144 L CB -0.757 41.350 42.059 0.081 0.000 0.896 144 L HN 0.182 nan 8.230 nan 0.000 0.432 145 D N -0.181 120.252 120.400 0.055 0.000 2.097 145 D HA -0.163 4.476 4.640 -0.001 0.000 0.195 145 D C 2.072 178.396 176.300 0.040 0.000 0.989 145 D CA 1.592 55.609 54.000 0.028 0.000 0.827 145 D CB 0.345 41.158 40.800 0.023 0.000 0.966 145 D HN 0.212 nan 8.370 nan 0.000 0.456 146 S N -0.069 115.671 115.700 0.067 0.000 2.383 146 S HA -0.067 4.403 4.470 -0.001 0.000 0.227 146 S C 2.124 176.741 174.600 0.030 0.000 1.026 146 S CA 0.729 58.959 58.200 0.051 0.000 0.981 146 S CB -0.099 63.139 63.200 0.063 0.000 0.818 146 S HN 0.342 nan 8.310 nan 0.000 0.472 147 M N 0.924 120.536 119.600 0.019 0.000 2.159 147 M HA -0.083 4.396 4.480 -0.001 0.000 0.263 147 M C 2.425 178.730 176.300 0.009 0.000 1.063 147 M CA 1.330 56.636 55.300 0.011 0.000 1.110 147 M CB -0.488 32.102 32.600 -0.018 0.000 1.374 147 M HN 0.395 nan 8.290 nan 0.000 0.411 148 A N -0.331 122.492 122.820 0.005 0.000 1.897 148 A HA -0.111 4.208 4.320 -0.001 0.000 0.215 148 A C 2.162 179.765 177.584 0.030 0.000 1.181 148 A CA 1.944 53.988 52.037 0.012 0.000 0.620 148 A CB -1.001 17.991 19.000 -0.013 0.000 0.821 148 A HN 0.397 nan 8.150 nan 0.000 0.443 149 T N -0.060 114.516 114.554 0.037 0.000 2.915 149 T HA -0.025 4.324 4.350 -0.001 0.000 0.269 149 T C 1.006 175.737 174.700 0.051 0.000 1.071 149 T CA 1.050 63.183 62.100 0.055 0.000 1.132 149 T CB -0.186 68.723 68.868 0.069 0.000 0.878 149 T HN 0.174 nan 8.240 nan 0.000 0.479 150 L N 0.522 121.773 121.223 0.046 0.000 2.685 150 L HA 0.398 4.738 4.340 -0.001 0.000 0.233 150 L C 1.682 178.587 176.870 0.058 0.000 1.173 150 L CA 0.151 55.021 54.840 0.049 0.000 0.961 150 L CB -0.814 41.274 42.059 0.047 0.000 1.217 150 L HN 0.349 nan 8.230 nan 0.000 0.478 151 G N -0.068 108.771 108.800 0.066 0.000 2.225 151 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.267 151 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.267 151 G C 0.334 175.299 174.900 0.108 0.000 1.024 151 G CA 0.195 45.356 45.100 0.103 0.000 0.784 151 G HN 0.314 nan 8.290 nan 0.000 0.507 152 L N -0.077 121.170 121.223 0.040 0.000 2.371 152 L HA 0.569 4.908 4.340 -0.001 0.000 0.272 152 L C 1.238 177.962 176.870 -0.244 0.000 1.124 152 L CA -0.225 54.579 54.840 -0.060 0.000 0.816 152 L CB 1.448 43.483 42.059 -0.040 0.000 1.129 152 L HN 0.251 nan 8.230 nan 0.000 0.448 153 A N 3.154 125.666 122.820 -0.513 0.000 2.990 153 A HA 0.560 4.880 4.320 -0.001 0.000 0.282 153 A C 0.302 177.508 177.584 -0.629 0.000 1.688 153 A CA -0.150 51.273 52.037 -1.023 0.000 1.391 153 A CB -0.630 17.711 19.000 -1.099 0.000 1.112 153 A HN 0.715 nan 8.150 nan 0.000 0.588 154 A N 1.384 123.849 122.820 -0.591 0.000 2.355 154 A HA 0.809 5.128 4.320 -0.001 0.000 0.324 154 A C -1.186 176.054 177.584 -0.573 0.000 1.117 154 A CA -0.461 51.307 52.037 -0.448 0.000 0.785 154 A CB 0.876 19.705 19.000 -0.286 0.000 1.254 154 A HN 0.577 nan 8.150 nan 0.000 0.453 155 Y N 0.256 120.480 120.300 -0.127 0.000 2.373 155 Y HA 0.540 5.090 4.550 -0.001 0.000 0.336 155 Y C 0.808 176.776 175.900 0.114 0.000 0.979 155 Y CA -0.604 57.491 58.100 -0.008 0.000 1.080 155 Y CB 2.248 40.776 38.460 0.113 0.000 1.190 155 Y HN 0.849 nan 8.280 nan 0.000 0.446 156 G N 2.094 110.965 108.800 0.118 0.000 2.353 156 G HA2 0.413 4.372 3.960 -0.001 0.000 0.284 156 G HA3 0.413 4.372 3.960 -0.001 0.000 0.284 156 G C -1.693 173.207 174.900 -0.000 0.000 1.172 156 G CA -0.196 45.009 45.100 0.175 0.000 0.854 156 G HN 0.514 nan 8.290 nan 0.000 0.485 157 Y N 1.109 121.629 120.300 0.367 0.000 2.331 157 Y HA 0.613 5.163 4.550 -0.001 0.000 0.334 157 Y C 0.746 176.939 175.900 0.488 0.000 0.960 157 Y CA 0.187 58.477 58.100 0.317 0.000 1.130 157 Y CB 2.563 41.233 38.460 0.350 0.000 1.164 157 Y HN 0.876 nan 8.280 nan 0.000 0.458 158 G N 2.276 111.394 108.800 0.530 0.000 2.753 158 G HA2 0.522 4.482 3.960 -0.001 0.000 0.303 158 G HA3 0.522 4.482 3.960 -0.001 0.000 0.303 158 G C -2.017 173.126 174.900 0.405 0.000 1.242 158 G CA -0.736 44.700 45.100 0.560 0.000 0.810 158 G HN 0.543 nan 8.290 nan 0.000 0.515 159 I N 0.398 121.110 120.570 0.236 0.000 2.465 159 I HA 0.566 4.736 4.170 -0.001 0.000 0.291 159 I C 0.019 176.068 176.117 -0.114 0.000 1.014 159 I CA -1.098 60.253 61.300 0.085 0.000 1.093 159 I CB 1.895 39.856 38.000 -0.065 0.000 1.267 159 I HN 0.467 nan 8.210 nan 0.000 0.431 160 R N 6.986 127.512 120.500 0.044 0.000 2.612 160 R HA 0.202 4.542 4.340 -0.001 0.000 0.273 160 R C -1.453 174.906 176.300 0.100 0.000 1.376 160 R CA -0.365 55.789 56.100 0.090 0.000 1.171 160 R CB -0.077 30.243 30.300 0.034 0.000 1.151 160 R HN 0.476 nan 8.270 nan 0.000 0.560 161 Y N 1.583 122.039 120.300 0.259 0.000 2.526 161 Y HA -0.100 4.450 4.550 -0.001 0.000 0.330 161 Y C 1.598 177.658 175.900 0.267 0.000 1.156 161 Y CA 0.161 58.398 58.100 0.228 0.000 1.419 161 Y CB 0.744 39.322 38.460 0.195 0.000 1.250 161 Y HN 0.597 nan 8.280 nan 0.000 0.540 162 E N 2.206 122.548 120.200 0.237 0.000 2.150 162 E HA -0.097 4.252 4.350 -0.001 0.000 0.193 162 E C -0.741 175.668 176.600 -0.319 0.000 0.985 162 E CA 0.803 57.123 56.400 -0.134 0.000 0.814 162 E CB 0.154 29.659 29.700 -0.324 0.000 0.752 162 E HN 0.481 nan 8.360 nan 0.000 0.466 163 F N -0.304 119.854 119.950 0.347 0.000 2.507 163 F HA 0.454 4.981 4.527 -0.001 0.000 0.328 163 F C 0.794 176.683 175.800 0.148 0.000 1.136 163 F CA -0.759 57.405 58.000 0.273 0.000 0.930 163 F CB 1.789 40.878 39.000 0.148 0.000 1.166 163 F HN -0.108 nan 8.300 nan 0.000 0.436 164 G N 1.768 110.683 108.800 0.192 0.000 2.504 164 G HA2 0.333 4.292 3.960 -0.001 0.000 0.257 164 G HA3 0.333 4.292 3.960 -0.001 0.000 0.257 164 G C -0.465 174.405 174.900 -0.049 0.000 1.451 164 G CA -0.641 44.422 45.100 -0.062 0.000 1.059 164 G HN 0.563 nan 8.290 nan 0.000 0.550 165 I N 0.792 121.273 120.570 -0.149 0.000 2.775 165 I HA 0.204 4.374 4.170 -0.001 0.000 0.290 165 I C 0.558 176.606 176.117 -0.115 0.000 1.203 165 I CA -1.094 60.103 61.300 -0.171 0.000 1.433 165 I CB -0.247 37.569 38.000 -0.306 0.000 1.354 165 I HN 0.333 nan 8.210 nan 0.000 0.579 166 F N 6.254 126.212 119.950 0.013 0.000 2.595 166 F HA 0.245 4.772 4.527 -0.001 0.000 0.359 166 F C 0.487 176.331 175.800 0.073 0.000 1.147 166 F CA -0.602 57.423 58.000 0.042 0.000 1.341 166 F CB -0.349 38.663 39.000 0.020 0.000 1.104 166 F HN 0.421 nan 8.300 nan 0.000 0.603 167 N N 2.770 121.620 118.700 0.252 0.000 2.470 167 N HA 0.032 4.772 4.740 -0.001 0.000 0.268 167 N C -0.716 175.006 175.510 0.353 0.000 1.136 167 N CA -0.182 52.990 53.050 0.204 0.000 0.961 167 N CB 1.040 39.639 38.487 0.187 0.000 1.067 167 N HN 0.754 nan 8.380 nan 0.000 0.468 168 Q N 2.522 122.497 119.800 0.291 0.000 2.296 168 Q HA 0.184 4.524 4.340 -0.001 0.000 0.257 168 Q C -0.854 175.309 176.000 0.273 0.000 0.942 168 Q CA -0.294 55.737 55.803 0.379 0.000 0.939 168 Q CB 0.749 29.700 28.738 0.355 0.000 1.198 168 Q HN 0.310 nan 8.270 nan 0.000 0.429 169 K N 3.921 124.462 120.400 0.235 0.000 2.203 169 K HA 0.491 4.811 4.320 -0.001 0.000 0.251 169 K C -0.646 176.052 176.600 0.163 0.000 0.944 169 K CA -0.958 55.443 56.287 0.191 0.000 0.829 169 K CB 1.469 34.060 32.500 0.152 0.000 1.125 169 K HN 0.579 nan 8.250 nan 0.000 0.430 170 I N 1.929 122.587 120.570 0.147 0.000 2.330 170 I HA 0.199 4.368 4.170 -0.001 0.000 0.289 170 I C -0.349 175.827 176.117 0.097 0.000 1.001 170 I CA -0.639 60.719 61.300 0.096 0.000 1.193 170 I CB 0.940 38.976 38.000 0.059 0.000 1.345 170 I HN 0.573 nan 8.210 nan 0.000 0.461 171 C N 4.679 124.046 119.300 0.111 0.000 2.397 171 C HA 0.642 5.102 4.460 -0.001 0.000 0.325 171 C C 1.074 176.164 174.990 0.166 0.000 1.201 171 C CA 0.333 59.419 59.018 0.114 0.000 1.377 171 C CB 0.239 28.037 27.740 0.096 0.000 2.038 171 C HN 1.106 nan 8.230 nan 0.000 0.457 172 G N 3.789 112.666 108.800 0.128 0.000 2.225 172 G HA2 0.091 4.050 3.960 -0.001 0.000 0.267 172 G HA3 0.091 4.050 3.960 -0.001 0.000 0.267 172 G C 1.198 176.155 174.900 0.095 0.000 1.024 172 G CA 1.188 46.381 45.100 0.156 0.000 0.784 172 G HN 2.600 nan 8.290 nan 0.000 0.507 173 G N -2.917 105.871 108.800 -0.021 0.000 2.179 173 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.260 173 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.260 173 G C 0.323 175.014 174.900 -0.349 0.000 0.977 173 G CA 0.688 45.655 45.100 -0.222 0.000 0.641 173 G HN 1.224 nan 8.290 nan 0.000 0.533 174 W N 0.747 121.989 121.300 -0.097 0.000 2.570 174 W HA 0.664 5.324 4.660 -0.001 0.000 0.337 174 W C 0.582 177.037 176.519 -0.106 0.000 1.067 174 W CA -0.956 56.322 57.345 -0.111 0.000 1.229 174 W CB 0.917 30.332 29.460 -0.075 0.000 1.355 174 W HN 0.252 nan 8.180 nan 0.000 0.555 175 Q N 2.526 122.409 119.800 0.138 0.000 2.311 175 Q HA 0.277 4.616 4.340 -0.001 0.000 0.272 175 Q C -0.895 175.161 176.000 0.093 0.000 1.012 175 Q CA 0.186 56.047 55.803 0.096 0.000 0.891 175 Q CB 0.563 29.348 28.738 0.078 0.000 1.201 175 Q HN 0.436 nan 8.270 nan 0.000 0.391 176 M N 3.244 122.895 119.600 0.085 0.000 2.456 176 M HA 0.345 4.825 4.480 -0.001 0.000 0.324 176 M C -1.447 174.869 176.300 0.027 0.000 1.124 176 M CA -0.288 55.031 55.300 0.032 0.000 0.959 176 M CB 2.327 34.959 32.600 0.053 0.000 1.692 176 M HN 0.571 nan 8.290 nan 0.000 0.444 177 E N 1.668 121.815 120.200 -0.088 0.000 2.166 177 E HA 0.530 4.879 4.350 -0.001 0.000 0.275 177 E C -1.148 175.445 176.600 -0.011 0.000 0.941 177 E CA -0.518 55.801 56.400 -0.134 0.000 0.784 177 E CB 1.411 30.787 29.700 -0.540 0.000 1.115 177 E HN 0.459 nan 8.360 nan 0.000 0.399 178 E N 0.922 121.191 120.200 0.115 0.000 2.288 178 E HA 0.591 4.941 4.350 -0.001 0.000 0.268 178 E C -1.008 175.662 176.600 0.118 0.000 0.885 178 E CA -1.315 55.137 56.400 0.088 0.000 0.767 178 E CB 1.963 31.727 29.700 0.107 0.000 1.220 178 E HN 0.556 nan 8.360 nan 0.000 0.427 179 A N 1.709 124.550 122.820 0.034 0.000 2.511 179 A HA 0.034 4.353 4.320 -0.001 0.000 0.242 179 A C -0.082 177.626 177.584 0.207 0.000 1.069 179 A CA 0.063 52.109 52.037 0.016 0.000 0.763 179 A CB 0.019 18.860 19.000 -0.265 0.000 1.001 179 A HN 0.591 nan 8.150 nan 0.000 0.498 180 D N 1.746 122.348 120.400 0.336 0.000 2.522 180 D HA 0.180 4.820 4.640 -0.001 0.000 0.218 180 D C -0.459 176.163 176.300 0.536 0.000 1.149 180 D CA -0.212 54.005 54.000 0.363 0.000 0.981 180 D CB 0.340 41.295 40.800 0.259 0.000 1.041 180 D HN 0.368 nan 8.370 nan 0.000 0.518 181 D N 3.685 124.355 120.400 0.450 0.000 2.801 181 D HA -0.025 4.614 4.640 -0.001 0.000 0.232 181 D C 1.146 177.540 176.300 0.157 0.000 1.128 181 D CA -0.537 53.657 54.000 0.324 0.000 1.003 181 D CB -0.198 40.768 40.800 0.276 0.000 1.110 181 D HN 0.564 nan 8.370 nan 0.000 0.477 182 W N 1.537 122.844 121.300 0.012 0.000 2.465 182 W HA -0.035 4.624 4.660 -0.001 0.000 0.268 182 W C 0.206 176.739 176.519 0.024 0.000 1.242 182 W CA 0.120 57.488 57.345 0.037 0.000 1.248 182 W CB -0.739 28.762 29.460 0.068 0.000 1.118 182 W HN 0.155 nan 8.180 nan 0.000 0.587 183 L N 1.157 121.997 121.223 -0.638 0.000 2.628 183 L HA 0.192 4.532 4.340 -0.001 0.000 0.229 183 L C 2.776 179.451 176.870 -0.325 0.000 1.137 183 L CA -0.065 54.390 54.840 -0.641 0.000 0.909 183 L CB -0.588 40.965 42.059 -0.844 0.000 1.137 183 L HN -0.125 nan 8.230 nan 0.000 0.470 184 R N 0.525 120.847 120.500 -0.297 0.000 2.091 184 R HA -0.200 4.139 4.340 -0.001 0.000 0.238 184 R C 1.283 177.420 176.300 -0.272 0.000 1.136 184 R CA 1.859 57.754 56.100 -0.342 0.000 0.959 184 R CB -0.088 29.900 30.300 -0.521 0.000 0.856 184 R HN 0.325 nan 8.270 nan 0.000 0.437 185 Y N -0.752 119.598 120.300 0.083 0.000 2.457 185 Y HA 0.343 4.892 4.550 -0.001 0.000 0.263 185 Y C 0.877 176.883 175.900 0.176 0.000 1.164 185 Y CA 0.386 58.601 58.100 0.191 0.000 1.274 185 Y CB 0.408 39.070 38.460 0.336 0.000 1.097 185 Y HN 0.310 nan 8.280 nan 0.000 0.523 186 G N 1.326 110.210 108.800 0.139 0.000 2.712 186 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.686 186 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.686 186 G C -1.250 173.689 174.900 0.065 0.000 1.181 186 G CA -0.928 44.173 45.100 0.002 0.000 0.762 186 G HN 0.256 nan 8.290 nan 0.000 0.641 187 N N 2.048 120.724 118.700 -0.040 0.000 2.564 187 N HA 0.623 5.363 4.740 -0.001 0.000 0.248 187 N C -0.815 174.655 175.510 -0.067 0.000 0.986 187 N CA -2.332 50.732 53.050 0.023 0.000 0.921 187 N CB 1.921 40.370 38.487 -0.063 0.000 1.136 187 N HN 0.139 nan 8.380 nan 0.000 0.509 188 P HA -0.004 nan 4.420 nan 0.000 0.222 188 P C 0.206 177.206 177.300 -0.500 0.000 1.147 188 P CA 1.055 63.789 63.100 -0.609 0.000 0.790 188 P CB 0.011 31.045 31.700 -1.110 0.000 0.780 189 W N 1.269 122.579 121.300 0.015 0.000 3.400 189 W HA 0.160 4.819 4.660 -0.001 0.000 0.347 189 W C 0.592 177.147 176.519 0.059 0.000 1.218 189 W CA -0.568 56.788 57.345 0.019 0.000 1.837 189 W CB -0.147 29.342 29.460 0.049 0.000 1.067 189 W HN 0.047 nan 8.180 nan 0.000 0.701 190 E N 0.717 121.054 120.200 0.229 0.000 2.256 190 E HA 0.541 4.890 4.350 -0.001 0.000 0.267 190 E C -1.015 175.723 176.600 0.230 0.000 0.892 190 E CA -1.272 55.282 56.400 0.257 0.000 0.775 190 E CB 1.939 31.802 29.700 0.273 0.000 1.207 190 E HN -0.277 nan 8.360 nan 0.000 0.420 191 K N 1.865 122.420 120.400 0.259 0.000 2.483 191 K HA 0.472 4.792 4.320 -0.001 0.000 0.256 191 K C -1.019 175.599 176.600 0.030 0.000 0.961 191 K CA -0.447 55.933 56.287 0.155 0.000 0.873 191 K CB 1.493 34.099 32.500 0.175 0.000 1.107 191 K HN 0.691 nan 8.250 nan 0.000 0.432 192 A N 4.229 126.979 122.820 -0.116 0.000 2.531 192 A HA 0.323 4.643 4.320 -0.001 0.000 0.236 192 A C -0.352 177.078 177.584 -0.256 0.000 1.062 192 A CA -0.007 51.734 52.037 -0.493 0.000 0.760 192 A CB 0.203 18.878 19.000 -0.543 0.000 0.995 192 A HN 0.677 nan 8.150 nan 0.000 0.501 193 R N 2.777 123.129 120.500 -0.247 0.000 2.564 193 R HA 0.232 4.571 4.340 -0.001 0.000 0.282 193 R C -2.544 173.738 176.300 -0.030 0.000 1.573 193 R CA -1.712 54.355 56.100 -0.054 0.000 1.588 193 R CB 0.583 30.937 30.300 0.090 0.000 1.154 193 R HN 0.444 nan 8.270 nan 0.000 0.606 194 P HA -0.235 nan 4.420 nan 0.000 0.216 194 P C 1.204 178.459 177.300 -0.075 0.000 1.154 194 P CA 1.294 64.355 63.100 -0.065 0.000 0.865 194 P CB 0.311 31.966 31.700 -0.075 0.000 0.789 195 E N -0.909 119.183 120.200 -0.180 0.000 2.472 195 E HA -0.140 4.210 4.350 -0.001 0.000 0.200 195 E C 0.614 176.951 176.600 -0.439 0.000 1.046 195 E CA 1.000 57.195 56.400 -0.342 0.000 0.871 195 E CB -0.779 28.618 29.700 -0.504 0.000 0.806 195 E HN 0.280 nan 8.360 nan 0.000 0.533 196 F N 1.495 121.458 119.950 0.022 0.000 2.639 196 F HA 0.240 4.767 4.527 -0.001 0.000 0.302 196 F C 0.524 176.422 175.800 0.163 0.000 1.097 196 F CA -0.342 57.705 58.000 0.079 0.000 1.294 196 F CB 0.417 39.454 39.000 0.062 0.000 1.027 196 F HN -0.268 nan 8.300 nan 0.000 0.550 197 T N 3.203 117.895 114.554 0.230 0.000 2.928 197 T HA 0.397 4.746 4.350 -0.001 0.000 0.305 197 T C -0.014 174.782 174.700 0.161 0.000 1.035 197 T CA 0.499 62.733 62.100 0.223 0.000 1.145 197 T CB 0.466 69.415 68.868 0.134 0.000 0.963 197 T HN -0.012 nan 8.240 nan 0.000 0.545 198 L N 4.952 126.243 121.223 0.114 0.000 2.393 198 L HA 0.541 4.880 4.340 -0.001 0.000 0.260 198 L C -2.401 174.423 176.870 -0.077 0.000 1.002 198 L CA -2.591 52.245 54.840 -0.006 0.000 0.818 198 L CB 2.616 44.618 42.059 -0.096 0.000 1.369 198 L HN 0.392 nan 8.230 nan 0.000 0.412 199 P HA 0.314 nan 4.420 nan 0.000 0.290 199 P C -1.118 176.010 177.300 -0.286 0.000 1.276 199 P CA -0.431 62.561 63.100 -0.181 0.000 0.808 199 P CB 1.906 33.493 31.700 -0.189 0.000 0.966 200 V N 4.137 123.862 119.914 -0.315 0.000 2.628 200 V HA 0.355 4.475 4.120 -0.001 0.000 0.306 200 V C 0.202 176.003 176.094 -0.488 0.000 1.045 200 V CA -0.600 61.488 62.300 -0.352 0.000 0.905 200 V CB 1.420 33.086 31.823 -0.260 0.000 0.997 200 V HN 0.599 nan 8.190 nan 0.000 0.436 201 H N 3.478 122.332 119.070 -0.360 0.000 2.492 201 H HA 0.608 5.163 4.556 -0.001 0.000 0.345 201 H C -1.365 173.619 175.328 -0.574 0.000 1.136 201 H CA -0.197 55.570 56.048 -0.469 0.000 1.202 201 H CB 1.903 31.182 29.762 -0.805 0.000 1.524 201 H HN 0.459 nan 8.280 nan 0.000 0.506 202 F N 0.568 120.545 119.950 0.046 0.000 2.588 202 F HA 0.235 4.761 4.527 -0.001 0.000 0.314 202 F C -0.175 175.723 175.800 0.163 0.000 1.069 202 F CA -0.545 57.493 58.000 0.063 0.000 0.931 202 F CB 0.933 39.894 39.000 -0.065 0.000 1.260 202 F HN 0.564 nan 8.300 nan 0.000 0.465 203 Y N 0.172 120.739 120.300 0.446 0.000 2.904 203 Y HA 0.008 4.558 4.550 -0.001 0.000 0.466 203 Y C 1.393 177.524 175.900 0.385 0.000 1.202 203 Y CA 0.689 58.975 58.100 0.310 0.000 2.492 203 Y CB -1.876 36.700 38.460 0.193 0.000 1.237 203 Y HN 1.304 nan 8.280 nan 0.000 0.633 204 G N 0.659 109.722 108.800 0.438 0.000 2.593 204 G HA2 0.130 4.090 3.960 -0.001 0.000 0.237 204 G HA3 0.130 4.090 3.960 -0.001 0.000 0.237 204 G C -0.568 174.540 174.900 0.347 0.000 1.312 204 G CA 1.053 46.348 45.100 0.326 0.000 0.896 204 G HN 1.404 nan 8.290 nan 0.000 0.574 205 R N -2.659 118.053 120.500 0.353 0.000 2.728 205 R HA 0.681 5.021 4.340 -0.001 0.000 0.274 205 R C -1.376 175.067 176.300 0.239 0.000 1.030 205 R CA -0.981 55.264 56.100 0.240 0.000 0.876 205 R CB 1.167 31.558 30.300 0.153 0.000 1.259 205 R HN 0.930 nan 8.270 nan 0.000 0.468 206 V N 1.279 121.261 119.914 0.113 0.000 2.427 206 V HA 0.390 4.510 4.120 -0.001 0.000 0.286 206 V C 0.015 176.130 176.094 0.035 0.000 1.034 206 V CA -0.354 61.968 62.300 0.037 0.000 0.893 206 V CB 1.097 32.890 31.823 -0.051 0.000 0.982 206 V HN 0.894 nan 8.190 nan 0.000 0.452 207 E N 3.187 123.365 120.200 -0.036 0.000 2.423 207 E HA 0.696 5.045 4.350 -0.001 0.000 0.269 207 E C -1.637 174.848 176.600 -0.191 0.000 0.948 207 E CA -1.081 55.333 56.400 0.023 0.000 0.802 207 E CB 2.133 31.871 29.700 0.064 0.000 1.339 207 E HN 0.700 nan 8.360 nan 0.000 0.445 208 H N -0.040 119.043 119.070 0.021 0.000 2.609 208 H HA 0.366 4.922 4.556 -0.001 0.000 0.344 208 H C -0.336 175.000 175.328 0.014 0.000 1.040 208 H CA -0.279 55.778 56.048 0.014 0.000 1.216 208 H CB 1.921 31.688 29.762 0.008 0.000 1.529 208 H HN 0.730 nan 8.280 nan 0.000 0.519 209 T N -1.359 113.246 114.554 0.085 0.000 2.893 209 T HA 0.185 4.534 4.350 -0.001 0.000 0.281 209 T C 1.630 176.365 174.700 0.058 0.000 1.027 209 T CA -0.055 62.079 62.100 0.056 0.000 0.953 209 T CB 0.687 69.571 68.868 0.027 0.000 1.434 209 T HN 0.508 nan 8.240 nan 0.000 0.597 210 S N -0.379 115.345 115.700 0.039 0.000 2.419 210 S HA -0.157 4.313 4.470 -0.001 0.000 0.233 210 S C 1.828 176.448 174.600 0.034 0.000 1.016 210 S CA 0.994 59.215 58.200 0.034 0.000 0.974 210 S CB -0.736 62.479 63.200 0.025 0.000 0.786 210 S HN 0.741 nan 8.310 nan 0.000 0.492 211 Q N 0.626 120.445 119.800 0.031 0.000 2.391 211 Q HA 0.465 4.804 4.340 -0.001 0.000 0.211 211 Q C 1.128 177.147 176.000 0.032 0.000 0.908 211 Q CA 0.350 56.170 55.803 0.027 0.000 0.920 211 Q CB 0.654 29.402 28.738 0.017 0.000 1.056 211 Q HN 0.715 nan 8.270 nan 0.000 0.523 212 G N 0.434 109.257 108.800 0.038 0.000 2.291 212 G HA2 0.251 4.210 3.960 -0.001 0.000 0.249 212 G HA3 0.251 4.210 3.960 -0.001 0.000 0.249 212 G C -1.561 173.320 174.900 -0.032 0.000 1.340 212 G CA -0.606 44.520 45.100 0.044 0.000 1.017 212 G HN 0.210 nan 8.290 nan 0.000 0.470 213 A N -0.102 122.653 122.820 -0.109 0.000 2.407 213 A HA 0.706 5.026 4.320 -0.001 0.000 0.248 213 A C 0.259 177.740 177.584 -0.172 0.000 1.082 213 A CA 0.879 52.731 52.037 -0.308 0.000 0.785 213 A CB 0.703 19.542 19.000 -0.270 0.000 1.020 213 A HN 0.958 nan 8.150 nan 0.000 0.489 214 K N 1.259 121.555 120.400 -0.173 0.000 2.535 214 K HA 0.295 4.615 4.320 -0.001 0.000 0.250 214 K C -1.972 174.656 176.600 0.047 0.000 0.948 214 K CA -0.490 55.769 56.287 -0.047 0.000 0.796 214 K CB 1.246 33.724 32.500 -0.037 0.000 1.216 214 K HN 0.727 nan 8.250 nan 0.000 0.432 215 W N 6.420 127.635 121.300 -0.141 0.000 2.342 215 W HA 0.375 5.035 4.660 -0.001 0.000 0.310 215 W C -0.900 175.554 176.519 -0.108 0.000 1.128 215 W CA -0.682 56.588 57.345 -0.124 0.000 1.322 215 W CB 0.270 29.644 29.460 -0.144 0.000 1.251 215 W HN 0.287 nan 8.180 nan 0.000 0.439 216 V N 2.951 122.930 119.914 0.108 0.000 3.126 216 V HA 0.612 4.731 4.120 -0.001 0.000 0.314 216 V C -0.163 175.917 176.094 -0.023 0.000 1.138 216 V CA -0.935 61.350 62.300 -0.026 0.000 1.034 216 V CB 2.071 33.906 31.823 0.021 0.000 1.075 216 V HN 0.481 nan 8.190 nan 0.000 0.442 217 D N 0.125 120.507 120.400 -0.029 0.000 2.870 217 D HA -0.142 4.498 4.640 -0.001 0.000 0.228 217 D C 0.576 176.886 176.300 0.016 0.000 1.147 217 D CA 1.520 55.526 54.000 0.011 0.000 0.757 217 D CB -1.738 39.092 40.800 0.050 0.000 1.091 217 D HN 1.321 nan 8.370 nan 0.000 0.429 218 T N -2.793 111.723 114.554 -0.063 0.000 2.849 218 T HA 0.464 4.814 4.350 -0.001 0.000 0.284 218 T C 0.455 175.201 174.700 0.077 0.000 1.004 218 T CA -0.684 61.392 62.100 -0.041 0.000 1.021 218 T CB 1.825 70.517 68.868 -0.294 0.000 1.013 218 T HN 0.039 nan 8.240 nan 0.000 0.527 219 Q N 0.680 120.586 119.800 0.177 0.000 2.257 219 Q HA 0.552 4.891 4.340 -0.001 0.000 0.255 219 Q C -0.874 175.226 176.000 0.165 0.000 0.920 219 Q CA -0.851 55.065 55.803 0.188 0.000 0.927 219 Q CB 1.834 30.742 28.738 0.284 0.000 1.229 219 Q HN 0.501 nan 8.270 nan 0.000 0.433 220 V N 3.204 123.158 119.914 0.067 0.000 2.481 220 V HA 0.388 4.507 4.120 -0.001 0.000 0.286 220 V C -0.238 175.905 176.094 0.081 0.000 1.042 220 V CA -0.601 61.674 62.300 -0.042 0.000 0.928 220 V CB 1.682 33.424 31.823 -0.135 0.000 0.986 220 V HN 0.491 nan 8.190 nan 0.000 0.462 221 V N 5.803 125.798 119.914 0.136 0.000 2.531 221 V HA 0.449 4.568 4.120 -0.001 0.000 0.301 221 V C -0.147 176.054 176.094 0.179 0.000 1.034 221 V CA -0.628 61.795 62.300 0.205 0.000 0.865 221 V CB 1.802 33.840 31.823 0.358 0.000 0.995 221 V HN 0.634 nan 8.190 nan 0.000 0.424 222 L N 3.636 124.956 121.223 0.161 0.000 2.397 222 L HA 0.668 5.007 4.340 -0.001 0.000 0.271 222 L C 0.576 177.622 176.870 0.294 0.000 1.148 222 L CA -0.163 54.768 54.840 0.150 0.000 0.825 222 L CB 1.054 43.185 42.059 0.121 0.000 1.117 222 L HN 0.771 nan 8.230 nan 0.000 0.456 223 A N 5.262 128.192 122.820 0.182 0.000 2.267 223 A HA 0.552 4.872 4.320 -0.001 0.000 0.315 223 A C -0.441 177.405 177.584 0.437 0.000 1.297 223 A CA -0.480 51.698 52.037 0.236 0.000 0.865 223 A CB 0.888 19.608 19.000 -0.467 0.000 1.165 223 A HN 0.784 nan 8.150 nan 0.000 0.513 224 M N 5.970 125.878 119.600 0.513 0.000 2.113 224 M HA 0.419 4.898 4.480 -0.001 0.000 0.352 224 M C -2.539 174.014 176.300 0.423 0.000 1.170 224 M CA -2.122 53.423 55.300 0.409 0.000 1.053 224 M CB 1.871 34.643 32.600 0.287 0.000 1.601 224 M HN 0.363 nan 8.290 nan 0.000 0.459 225 P HA 0.254 nan 4.420 nan 0.000 0.288 225 P C -1.939 175.270 177.300 -0.151 0.000 1.267 225 P CA -0.077 62.897 63.100 -0.209 0.000 0.815 225 P CB 0.607 31.939 31.700 -0.613 0.000 0.989 226 Y N 0.592 120.808 120.300 -0.140 0.000 2.331 226 Y HA 0.329 4.878 4.550 -0.001 0.000 0.334 226 Y C 0.218 176.084 175.900 -0.056 0.000 0.960 226 Y CA -0.277 57.800 58.100 -0.039 0.000 1.130 226 Y CB 1.361 39.834 38.460 0.023 0.000 1.164 226 Y HN 0.218 nan 8.280 nan 0.000 0.458 227 D N 1.897 122.376 120.400 0.132 0.000 2.193 227 D HA 0.394 5.033 4.640 -0.001 0.000 0.244 227 D C -0.600 175.905 176.300 0.342 0.000 1.064 227 D CA -0.181 53.934 54.000 0.192 0.000 0.845 227 D CB 1.738 42.662 40.800 0.207 0.000 1.148 227 D HN 0.375 nan 8.370 nan 0.000 0.464 228 T N 3.350 118.036 114.554 0.219 0.000 2.807 228 T HA 0.471 4.821 4.350 -0.001 0.000 0.279 228 T C -2.504 172.093 174.700 -0.170 0.000 0.993 228 T CA -1.471 60.679 62.100 0.083 0.000 0.970 228 T CB 2.007 70.910 68.868 0.058 0.000 0.950 228 T HN 0.174 nan 8.240 nan 0.000 0.441 229 P HA 0.329 nan 4.420 nan 0.000 0.275 229 P C -1.034 175.971 177.300 -0.492 0.000 1.227 229 P CA -0.396 62.092 63.100 -1.020 0.000 0.781 229 P CB 0.862 31.770 31.700 -1.321 0.000 0.906 230 V N 4.967 124.638 119.914 -0.404 0.000 2.327 230 V HA 0.252 4.372 4.120 -0.001 0.000 0.272 230 V C -2.130 173.846 176.094 -0.196 0.000 1.019 230 V CA -1.818 60.341 62.300 -0.235 0.000 0.814 230 V CB 1.436 33.166 31.823 -0.156 0.000 1.040 230 V HN 0.545 nan 8.190 nan 0.000 0.440 231 P HA 0.279 nan 4.420 nan 0.000 0.281 231 P C 0.349 177.607 177.300 -0.070 0.000 1.252 231 P CA 0.312 63.334 63.100 -0.132 0.000 0.778 231 P CB 1.685 33.305 31.700 -0.134 0.000 0.895 232 G N 2.297 111.071 108.800 -0.043 0.000 2.599 232 G HA2 0.149 4.108 3.960 -0.001 0.000 0.264 232 G HA3 0.149 4.108 3.960 -0.001 0.000 0.264 232 G C -1.196 173.718 174.900 0.025 0.000 1.200 232 G CA -0.432 44.671 45.100 0.005 0.000 0.896 232 G HN 0.464 nan 8.290 nan 0.000 0.536 233 Y N 1.263 121.531 120.300 -0.054 0.000 2.585 233 Y HA 0.241 4.791 4.550 -0.001 0.000 0.354 233 Y C 1.450 177.317 175.900 -0.055 0.000 1.024 233 Y CA -0.308 57.755 58.100 -0.060 0.000 1.321 233 Y CB -0.243 38.179 38.460 -0.063 0.000 1.151 233 Y HN 0.714 nan 8.280 nan 0.000 0.525 234 R N 2.757 122.962 120.500 -0.491 0.000 3.627 234 R HA -0.272 4.067 4.340 -0.001 0.000 0.281 234 R C 0.036 176.207 176.300 -0.215 0.000 1.140 234 R CA 0.991 56.830 56.100 -0.435 0.000 0.761 234 R CB -1.896 27.979 30.300 -0.708 0.000 1.181 234 R HN 0.783 nan 8.270 nan 0.000 0.472 235 N N -0.102 118.519 118.700 -0.132 0.000 2.177 235 N HA -0.005 4.734 4.740 -0.001 0.000 0.218 235 N C -0.042 175.422 175.510 -0.077 0.000 1.182 235 N CA -0.216 52.787 53.050 -0.079 0.000 0.882 235 N CB 0.192 38.657 38.487 -0.036 0.000 1.052 235 N HN 0.182 nan 8.380 nan 0.000 0.519 236 N N -0.615 118.034 118.700 -0.083 0.000 2.753 236 N HA -0.136 4.603 4.740 -0.001 0.000 0.251 236 N C -1.040 174.426 175.510 -0.073 0.000 1.097 236 N CA 0.635 53.642 53.050 -0.072 0.000 0.786 236 N CB -1.713 36.733 38.487 -0.069 0.000 1.137 236 N HN 0.222 nan 8.380 nan 0.000 0.566 237 V N 1.089 120.963 119.914 -0.066 0.000 2.465 237 V HA 0.438 4.558 4.120 -0.001 0.000 0.279 237 V C 0.615 176.680 176.094 -0.048 0.000 1.045 237 V CA -0.512 61.755 62.300 -0.055 0.000 0.938 237 V CB 2.130 33.944 31.823 -0.016 0.000 0.986 237 V HN -0.028 nan 8.190 nan 0.000 0.467 238 V N 5.297 125.192 119.914 -0.032 0.000 2.447 238 V HA 0.454 4.573 4.120 -0.001 0.000 0.292 238 V C -0.118 175.986 176.094 0.016 0.000 1.021 238 V CA -0.829 61.423 62.300 -0.079 0.000 0.850 238 V CB 1.524 33.252 31.823 -0.159 0.000 1.005 238 V HN 0.847 nan 8.190 nan 0.000 0.426 239 N N 1.978 120.659 118.700 -0.032 0.000 2.476 239 N HA 0.589 5.328 4.740 -0.001 0.000 0.287 239 N C -0.103 175.424 175.510 0.028 0.000 1.262 239 N CA -0.342 52.716 53.050 0.014 0.000 0.980 239 N CB 1.149 39.592 38.487 -0.074 0.000 1.163 239 N HN 0.601 nan 8.380 nan 0.000 0.592 240 T N 0.702 115.269 114.554 0.021 0.000 2.848 240 T HA 0.387 4.736 4.350 -0.001 0.000 0.285 240 T C -0.333 174.344 174.700 -0.039 0.000 0.995 240 T CA -0.505 61.676 62.100 0.135 0.000 0.970 240 T CB 1.131 70.183 68.868 0.307 0.000 0.976 240 T HN 0.290 nan 8.240 nan 0.000 0.441 241 M N 3.726 123.272 119.600 -0.089 0.000 2.088 241 M HA 0.482 4.961 4.480 -0.001 0.000 0.346 241 M C -0.412 175.747 176.300 -0.236 0.000 1.111 241 M CA -0.714 54.440 55.300 -0.244 0.000 1.017 241 M CB 0.578 32.984 32.600 -0.323 0.000 1.568 241 M HN 0.466 nan 8.290 nan 0.000 0.445 242 R N 5.883 126.141 120.500 -0.403 0.000 2.229 242 R HA 0.595 4.935 4.340 -0.001 0.000 0.332 242 R C -1.863 174.168 176.300 -0.449 0.000 0.989 242 R CA -0.383 55.426 56.100 -0.485 0.000 0.842 242 R CB 0.779 30.606 30.300 -0.789 0.000 1.119 242 R HN 0.797 nan 8.270 nan 0.000 0.456 243 L N 5.127 126.181 121.223 -0.281 0.000 2.322 243 L HA 0.502 4.842 4.340 -0.001 0.000 0.281 243 L C -0.864 175.974 176.870 -0.053 0.000 1.014 243 L CA -0.915 53.864 54.840 -0.102 0.000 0.815 243 L CB 1.495 43.573 42.059 0.033 0.000 1.247 243 L HN 0.579 nan 8.230 nan 0.000 0.421 244 W N 1.834 123.262 121.300 0.214 0.000 2.376 244 W HA 0.511 5.171 4.660 -0.001 0.000 0.322 244 W C 0.478 177.236 176.519 0.398 0.000 1.160 244 W CA -0.307 57.194 57.345 0.259 0.000 1.218 244 W CB 1.556 31.041 29.460 0.042 0.000 1.205 244 W HN 0.332 nan 8.180 nan 0.000 0.559 245 S N 1.897 118.006 115.700 0.682 0.000 2.500 245 S HA 0.779 5.248 4.470 -0.001 0.000 0.301 245 S C -0.472 174.462 174.600 0.557 0.000 1.092 245 S CA -0.702 57.796 58.200 0.497 0.000 1.030 245 S CB 0.619 64.043 63.200 0.373 0.000 1.031 245 S HN 0.550 nan 8.310 nan 0.000 0.483 246 A N 3.912 126.900 122.820 0.281 0.000 2.366 246 A HA 0.644 4.963 4.320 -0.001 0.000 0.272 246 A C -0.105 177.575 177.584 0.159 0.000 1.135 246 A CA -0.394 51.732 52.037 0.148 0.000 0.804 246 A CB 0.249 19.069 19.000 -0.301 0.000 1.064 246 A HN 0.795 nan 8.150 nan 0.000 0.499 247 K N 2.089 122.603 120.400 0.190 0.000 2.427 247 K HA 0.651 4.970 4.320 -0.001 0.000 0.252 247 K C -0.354 176.311 176.600 0.108 0.000 0.931 247 K CA -0.409 55.961 56.287 0.137 0.000 0.793 247 K CB 1.841 34.433 32.500 0.152 0.000 1.211 247 K HN 0.903 nan 8.250 nan 0.000 0.426 248 A N 4.638 127.502 122.820 0.074 0.000 2.462 248 A HA 0.364 4.683 4.320 -0.001 0.000 0.243 248 A C -2.174 175.445 177.584 0.058 0.000 1.076 248 A CA -1.017 51.055 52.037 0.058 0.000 0.773 248 A CB -0.417 18.606 19.000 0.039 0.000 1.010 248 A HN 0.626 nan 8.150 nan 0.000 0.493 249 P HA 0.197 nan 4.420 nan 0.000 0.274 249 P C -0.942 176.381 177.300 0.037 0.000 1.231 249 P CA -0.275 62.849 63.100 0.041 0.000 0.790 249 P CB 0.880 32.598 31.700 0.030 0.000 0.951 262 Y N 0.777 121.081 120.300 0.006 0.000 2.128 262 Y HA -0.078 4.471 4.550 -0.001 0.000 0.284 262 Y C 2.653 178.557 175.900 0.008 0.000 1.154 262 Y CA 2.345 60.450 58.100 0.007 0.000 1.149 262 Y CB -0.070 38.394 38.460 0.007 0.000 0.976 262 Y HN 0.228 nan 8.280 nan 0.000 0.505 263 I N 0.499 120.973 120.570 -0.160 0.000 2.179 263 I HA -0.290 3.880 4.170 -0.001 0.000 0.242 263 I C 2.380 178.378 176.117 -0.199 0.000 1.088 263 I CA 1.799 62.950 61.300 -0.249 0.000 1.357 263 I CB -1.463 36.506 38.000 -0.051 0.000 1.051 263 I HN 0.338 nan 8.210 nan 0.000 0.409 264 Q N 1.153 120.892 119.800 -0.102 0.000 2.124 264 Q HA -0.094 4.245 4.340 -0.001 0.000 0.202 264 Q C 2.230 178.178 176.000 -0.088 0.000 0.977 264 Q CA 2.059 57.818 55.803 -0.073 0.000 0.850 264 Q CB -0.302 28.415 28.738 -0.034 0.000 0.901 264 Q HN 0.463 nan 8.270 nan 0.000 0.429 265 A N -0.679 122.079 122.820 -0.103 0.000 1.908 265 A HA -0.160 4.159 4.320 -0.001 0.000 0.218 265 A C 2.238 179.750 177.584 -0.121 0.000 1.181 265 A CA 1.784 53.769 52.037 -0.087 0.000 0.627 265 A CB -0.861 18.107 19.000 -0.055 0.000 0.818 265 A HN 0.274 nan 8.150 nan 0.000 0.445 266 V N 0.224 120.001 119.914 -0.228 0.000 2.358 266 V HA -0.236 3.884 4.120 -0.001 0.000 0.246 266 V C 2.543 178.569 176.094 -0.114 0.000 1.047 266 V CA 1.823 64.004 62.300 -0.198 0.000 1.035 266 V CB -0.800 30.829 31.823 -0.323 0.000 0.658 266 V HN 0.566 nan 8.190 nan 0.000 0.452 267 L N -0.154 121.003 121.223 -0.110 0.000 2.083 267 L HA -0.180 4.160 4.340 -0.001 0.000 0.209 267 L C 2.155 179.000 176.870 -0.041 0.000 1.083 267 L CA 1.469 56.272 54.840 -0.062 0.000 0.752 267 L CB -0.793 41.233 42.059 -0.055 0.000 0.899 267 L HN 0.328 nan 8.230 nan 0.000 0.433 268 D N 0.028 120.402 120.400 -0.044 0.000 2.378 268 D HA -0.099 4.541 4.640 -0.001 0.000 0.222 268 D C 2.173 178.463 176.300 -0.017 0.000 0.980 268 D CA 0.523 54.507 54.000 -0.026 0.000 0.907 268 D CB -0.055 40.730 40.800 -0.025 0.000 0.899 268 D HN 0.237 nan 8.370 nan 0.000 0.527 269 R N 0.467 120.955 120.500 -0.019 0.000 2.127 269 R HA -0.094 4.246 4.340 -0.001 0.000 0.238 269 R C 1.638 177.939 176.300 0.002 0.000 1.134 269 R CA 0.758 56.856 56.100 -0.005 0.000 0.975 269 R CB -0.142 30.156 30.300 -0.004 0.000 0.865 269 R HN 0.157 nan 8.270 nan 0.000 0.447 270 N N 0.863 119.562 118.700 -0.001 0.000 2.192 270 N HA -0.178 4.561 4.740 -0.001 0.000 0.188 270 N C 1.708 177.220 175.510 0.004 0.000 1.013 270 N CA 1.164 54.219 53.050 0.007 0.000 0.863 270 N CB -0.194 38.297 38.487 0.007 0.000 0.990 270 N HN 0.273 nan 8.380 nan 0.000 0.430 271 L N 0.370 121.591 121.223 -0.003 0.000 2.027 271 L HA -0.078 4.262 4.340 -0.001 0.000 0.206 271 L C 2.465 179.321 176.870 -0.023 0.000 1.074 271 L CA 1.243 56.078 54.840 -0.008 0.000 0.745 271 L CB -0.575 41.480 42.059 -0.007 0.000 0.898 271 L HN 0.104 nan 8.230 nan 0.000 0.433 272 A N -0.080 122.728 122.820 -0.019 0.000 1.933 272 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 272 A C 2.135 179.686 177.584 -0.054 0.000 1.175 272 A CA 1.614 53.629 52.037 -0.036 0.000 0.628 272 A CB -0.444 18.560 19.000 0.007 0.000 0.814 272 A HN 0.457 nan 8.150 nan 0.000 0.444 273 E N -0.029 120.158 120.200 -0.021 0.000 2.347 273 E HA -0.110 4.240 4.350 -0.001 0.000 0.196 273 E C 1.176 177.765 176.600 -0.018 0.000 1.008 273 E CA 0.466 56.857 56.400 -0.014 0.000 0.852 273 E CB -0.126 29.586 29.700 0.020 0.000 0.783 273 E HN 0.492 nan 8.360 nan 0.000 0.505 274 N N 0.854 119.547 118.700 -0.012 0.000 2.443 274 N HA -0.116 4.623 4.740 -0.001 0.000 0.184 274 N C 1.569 177.075 175.510 -0.006 0.000 1.037 274 N CA 0.663 53.720 53.050 0.011 0.000 0.896 274 N CB -0.057 38.438 38.487 0.013 0.000 0.959 274 N HN 0.277 nan 8.380 nan 0.000 0.442 275 I N 0.421 120.933 120.570 -0.097 0.000 2.208 275 I HA -0.240 3.929 4.170 -0.001 0.000 0.245 275 I C 1.481 177.540 176.117 -0.097 0.000 1.097 275 I CA 1.230 62.435 61.300 -0.158 0.000 1.363 275 I CB -0.223 37.544 38.000 -0.388 0.000 1.051 275 I HN 0.132 nan 8.210 nan 0.000 0.413 276 S N -0.398 115.238 115.700 -0.107 0.000 2.582 276 S HA 0.162 4.632 4.470 -0.001 0.000 0.234 276 S C 1.504 176.215 174.600 0.185 0.000 0.961 276 S CA -0.488 57.729 58.200 0.029 0.000 0.953 276 S CB 0.215 63.415 63.200 -0.001 0.000 0.800 276 S HN 0.201 nan 8.310 nan 0.000 0.471 277 R N 1.319 121.935 120.500 0.194 0.000 2.062 277 R HA 0.266 4.605 4.340 -0.001 0.000 0.229 277 R C 0.374 176.911 176.300 0.395 0.000 1.128 277 R CA 1.177 57.435 56.100 0.264 0.000 0.960 277 R CB -0.281 30.147 30.300 0.214 0.000 0.855 277 R HN 0.403 nan 8.270 nan 0.000 0.432 278 V N 0.320 120.432 119.914 0.330 0.000 2.891 278 V HA 0.320 4.440 4.120 -0.001 0.000 0.304 278 V C -1.614 174.427 176.094 -0.088 0.000 1.171 278 V CA -1.379 61.036 62.300 0.193 0.000 0.943 278 V CB 1.711 33.579 31.823 0.075 0.000 1.037 278 V HN 0.142 nan 8.190 nan 0.000 0.427 279 L N 6.990 127.918 121.223 -0.491 0.000 2.462 279 L HA 0.401 4.740 4.340 -0.001 0.000 0.272 279 L C -0.777 175.921 176.870 -0.287 0.000 1.166 279 L CA 0.591 54.941 54.840 -0.817 0.000 0.880 279 L CB 0.217 41.766 42.059 -0.850 0.000 1.142 279 L HN 0.675 nan 8.230 nan 0.000 0.473 280 Y N 7.218 127.436 120.300 -0.138 0.000 2.496 280 Y HA 0.199 4.749 4.550 -0.001 0.000 0.334 280 Y C -1.281 174.616 175.900 -0.004 0.000 1.080 280 Y CA -1.092 56.999 58.100 -0.014 0.000 1.355 280 Y CB 0.475 38.956 38.460 0.035 0.000 1.193 280 Y HN 0.591 nan 8.280 nan 0.000 0.523 281 P HA -0.005 nan 4.420 nan 0.000 0.256 281 P C -0.820 176.609 177.300 0.215 0.000 1.384 281 P CA 0.154 63.363 63.100 0.181 0.000 0.879 281 P CB 0.149 32.023 31.700 0.290 0.000 1.403 282 N N 1.318 120.157 118.700 0.231 0.000 2.470 282 N HA 0.004 4.744 4.740 -0.001 0.000 0.268 282 N C 0.556 176.209 175.510 0.239 0.000 1.136 282 N CA 0.233 53.434 53.050 0.251 0.000 0.961 282 N CB 1.398 40.047 38.487 0.270 0.000 1.067 282 N HN 0.095 nan 8.380 nan 0.000 0.468 283 D N 1.306 121.890 120.400 0.307 0.000 2.628 283 D HA -0.041 4.599 4.640 -0.001 0.000 0.258 283 D C 0.293 176.768 176.300 0.292 0.000 1.165 283 D CA 0.556 54.746 54.000 0.316 0.000 0.991 283 D CB 0.224 41.314 40.800 0.483 0.000 1.104 283 D HN 0.681 nan 8.370 nan 0.000 0.438 284 N N -0.298 118.608 118.700 0.344 0.000 3.114 284 N HA 0.179 4.919 4.740 -0.001 0.000 0.289 284 N C -1.392 174.313 175.510 0.324 0.000 1.519 284 N CA -0.468 52.728 53.050 0.242 0.000 1.026 284 N CB 0.190 38.744 38.487 0.112 0.000 1.306 284 N HN 0.111 nan 8.380 nan 0.000 0.495 285 F N 1.658 121.678 119.950 0.116 0.000 2.639 285 F HA 0.365 4.892 4.527 -0.001 0.000 0.326 285 F C -1.912 173.943 175.800 0.091 0.000 1.150 285 F CA -1.197 56.850 58.000 0.078 0.000 1.057 285 F CB 1.236 40.249 39.000 0.023 0.000 1.300 285 F HN 0.116 nan 8.300 nan 0.000 0.486 286 F N 6.414 125.953 119.950 -0.686 0.000 2.424 286 F HA 0.356 4.883 4.527 -0.001 0.000 0.356 286 F C 0.938 176.336 175.800 -0.669 0.000 1.110 286 F CA 0.090 57.751 58.000 -0.565 0.000 1.161 286 F CB 1.170 39.866 39.000 -0.507 0.000 1.115 286 F HN 0.761 nan 8.300 nan 0.000 0.507 287 E N 3.558 123.212 120.200 -0.909 0.000 2.251 287 E HA 0.171 4.521 4.350 -0.001 0.000 0.194 287 E C 1.375 177.436 176.600 -0.899 0.000 0.964 287 E CA 0.718 56.741 56.400 -0.629 0.000 0.868 287 E CB 0.026 29.599 29.700 -0.211 0.000 0.828 287 E HN 1.008 nan 8.360 nan 0.000 0.481 288 G N 2.346 110.274 108.800 -1.453 0.000 2.176 288 G HA2 -0.210 3.749 3.960 -0.001 0.000 0.252 288 G HA3 -0.210 3.749 3.960 -0.001 0.000 0.252 288 G C -0.252 174.578 174.900 -0.116 0.000 1.024 288 G CA 0.306 44.796 45.100 -1.016 0.000 0.755 288 G HN 0.003 nan 8.290 nan 0.000 0.507 289 K N 0.373 120.731 120.400 -0.069 0.000 2.298 289 K HA 0.256 4.575 4.320 -0.001 0.000 0.280 289 K C 1.254 177.959 176.600 0.175 0.000 1.032 289 K CA -0.237 56.084 56.287 0.057 0.000 0.958 289 K CB 1.376 33.873 32.500 -0.005 0.000 0.978 289 K HN 0.511 nan 8.250 nan 0.000 0.472 290 E N 2.040 122.321 120.200 0.136 0.000 2.085 290 E HA -0.230 4.119 4.350 -0.001 0.000 0.194 290 E C 1.484 178.099 176.600 0.025 0.000 0.994 290 E CA 1.026 57.462 56.400 0.061 0.000 0.801 290 E CB 0.126 29.864 29.700 0.064 0.000 0.743 290 E HN 0.427 nan 8.360 nan 0.000 0.453 291 L N 1.225 122.502 121.223 0.090 0.000 2.083 291 L HA -0.161 4.178 4.340 -0.001 0.000 0.209 291 L C 2.454 179.415 176.870 0.152 0.000 1.083 291 L CA 1.746 56.661 54.840 0.125 0.000 0.752 291 L CB -0.500 41.699 42.059 0.233 0.000 0.899 291 L HN 0.024 nan 8.230 nan 0.000 0.433 292 R N -0.509 120.033 120.500 0.070 0.000 2.081 292 R HA -0.169 4.171 4.340 -0.001 0.000 0.235 292 R C 2.113 178.467 176.300 0.090 0.000 1.131 292 R CA 1.935 58.039 56.100 0.008 0.000 0.960 292 R CB -1.095 29.022 30.300 -0.304 0.000 0.856 292 R HN 0.411 nan 8.270 nan 0.000 0.436 293 L N 0.925 122.112 121.223 -0.060 0.000 2.046 293 L HA -0.097 4.243 4.340 -0.001 0.000 0.208 293 L C 1.717 178.537 176.870 -0.084 0.000 1.077 293 L CA 1.920 56.542 54.840 -0.365 0.000 0.747 293 L CB -0.436 41.092 42.059 -0.885 0.000 0.896 293 L HN 0.165 nan 8.230 nan 0.000 0.432 294 K N -0.964 119.433 120.400 -0.006 0.000 2.057 294 K HA -0.209 4.110 4.320 -0.001 0.000 0.207 294 K C 2.096 178.859 176.600 0.272 0.000 1.049 294 K CA 1.875 58.235 56.287 0.123 0.000 0.931 294 K CB -0.232 32.179 32.500 -0.148 0.000 0.714 294 K HN 0.507 nan 8.250 nan 0.000 0.440 295 Q N 0.694 120.619 119.800 0.209 0.000 2.096 295 Q HA -0.203 4.137 4.340 -0.001 0.000 0.204 295 Q C 2.003 178.198 176.000 0.325 0.000 0.982 295 Q CA 1.536 57.509 55.803 0.284 0.000 0.850 295 Q CB -0.047 28.880 28.738 0.316 0.000 0.901 295 Q HN 0.390 nan 8.270 nan 0.000 0.422 296 E N -0.220 120.132 120.200 0.254 0.000 2.051 296 E HA -0.217 4.132 4.350 -0.001 0.000 0.192 296 E C 1.753 178.471 176.600 0.196 0.000 0.991 296 E CA 1.120 57.654 56.400 0.223 0.000 0.799 296 E CB -0.164 29.649 29.700 0.189 0.000 0.748 296 E HN 0.328 nan 8.360 nan 0.000 0.449 297 Y N 0.399 120.747 120.300 0.080 0.000 2.263 297 Y HA -0.208 4.341 4.550 -0.001 0.000 0.292 297 Y C 1.966 177.896 175.900 0.049 0.000 1.130 297 Y CA 1.034 59.134 58.100 0.000 0.000 1.179 297 Y CB -0.369 38.051 38.460 -0.066 0.000 0.998 297 Y HN 0.019 nan 8.280 nan 0.000 0.532 298 F N 0.403 120.351 119.950 -0.002 0.000 2.065 298 F HA -0.292 4.234 4.527 -0.001 0.000 0.298 298 F C 2.398 178.050 175.800 -0.245 0.000 1.112 298 F CA 2.761 60.713 58.000 -0.081 0.000 1.212 298 F CB -0.910 38.183 39.000 0.156 0.000 0.975 298 F HN -0.047 nan 8.300 nan 0.000 0.476 299 V N -2.270 117.610 119.914 -0.058 0.000 2.427 299 V HA -0.180 3.939 4.120 -0.001 0.000 0.248 299 V C 2.172 178.115 176.094 -0.252 0.000 1.051 299 V CA 1.620 63.848 62.300 -0.120 0.000 1.048 299 V CB -1.606 30.341 31.823 0.207 0.000 0.666 299 V HN 0.248 nan 8.190 nan 0.000 0.456 300 V N 1.092 120.865 119.914 -0.234 0.000 2.307 300 V HA -0.151 3.969 4.120 -0.001 0.000 0.245 300 V C 3.111 178.948 176.094 -0.428 0.000 1.045 300 V CA 2.288 64.437 62.300 -0.253 0.000 1.024 300 V CB -1.199 30.542 31.823 -0.136 0.000 0.651 300 V HN 0.641 nan 8.190 nan 0.000 0.449 301 A N -0.076 122.320 122.820 -0.706 0.000 1.877 301 A HA -0.126 4.193 4.320 -0.001 0.000 0.216 301 A C 2.409 179.625 177.584 -0.613 0.000 1.186 301 A CA 2.242 53.861 52.037 -0.697 0.000 0.620 301 A CB -0.866 17.523 19.000 -1.018 0.000 0.822 301 A HN 0.566 nan 8.150 nan 0.000 0.443 302 A N -1.161 121.135 122.820 -0.873 0.000 1.873 302 A HA -0.057 4.263 4.320 -0.001 0.000 0.215 302 A C 2.316 179.414 177.584 -0.810 0.000 1.186 302 A CA 2.267 53.615 52.037 -1.148 0.000 0.616 302 A CB -1.331 16.335 19.000 -2.224 0.000 0.823 302 A HN 0.427 nan 8.150 nan 0.000 0.442 303 T N 0.338 114.527 114.554 -0.609 0.000 2.684 303 T HA -0.139 4.210 4.350 -0.001 0.000 0.267 303 T C 1.737 176.152 174.700 -0.476 0.000 1.036 303 T CA 1.705 63.541 62.100 -0.441 0.000 1.148 303 T CB -0.346 68.261 68.868 -0.435 0.000 0.863 303 T HN 0.212 nan 8.240 nan 0.000 0.436 304 L N 0.989 121.989 121.223 -0.371 0.000 2.093 304 L HA -0.019 4.320 4.340 -0.001 0.000 0.208 304 L C 2.683 179.437 176.870 -0.192 0.000 1.085 304 L CA 1.499 56.179 54.840 -0.268 0.000 0.755 304 L CB -0.782 41.159 42.059 -0.197 0.000 0.904 304 L HN 0.276 nan 8.230 nan 0.000 0.435 305 Q N -0.750 118.933 119.800 -0.195 0.000 2.061 305 Q HA -0.269 4.071 4.340 -0.001 0.000 0.204 305 Q C 1.841 177.814 176.000 -0.045 0.000 0.984 305 Q CA 1.899 57.638 55.803 -0.107 0.000 0.846 305 Q CB -0.147 28.512 28.738 -0.131 0.000 0.902 305 Q HN 0.457 nan 8.270 nan 0.000 0.421 306 D N 0.267 120.630 120.400 -0.062 0.000 2.097 306 D HA -0.111 4.529 4.640 -0.001 0.000 0.195 306 D C 1.725 177.981 176.300 -0.073 0.000 0.989 306 D CA 0.881 54.890 54.000 0.016 0.000 0.827 306 D CB -0.094 40.799 40.800 0.154 0.000 0.966 306 D HN 0.169 nan 8.370 nan 0.000 0.456 307 I N 0.182 120.606 120.570 -0.243 0.000 2.163 307 I HA -0.251 3.919 4.170 -0.001 0.000 0.243 307 I C 2.293 178.441 176.117 0.051 0.000 1.085 307 I CA 0.802 61.918 61.300 -0.307 0.000 1.347 307 I CB -0.145 37.528 38.000 -0.545 0.000 1.044 307 I HN 0.068 nan 8.210 nan 0.000 0.408 308 I N 0.012 120.661 120.570 0.130 0.000 2.252 308 I HA -0.262 3.907 4.170 -0.001 0.000 0.245 308 I C 2.781 179.082 176.117 0.308 0.000 1.102 308 I CA 1.006 62.495 61.300 0.315 0.000 1.385 308 I CB -0.422 37.695 38.000 0.194 0.000 1.064 308 I HN 0.196 nan 8.210 nan 0.000 0.414 309 R N 1.222 121.832 120.500 0.182 0.000 2.083 309 R HA -0.207 4.133 4.340 -0.001 0.000 0.237 309 R C 2.486 178.883 176.300 0.161 0.000 1.137 309 R CA 1.660 57.857 56.100 0.163 0.000 0.951 309 R CB -0.239 30.148 30.300 0.144 0.000 0.851 309 R HN 0.235 nan 8.270 nan 0.000 0.434 310 R N -0.503 120.085 120.500 0.147 0.000 2.096 310 R HA -0.163 4.176 4.340 -0.001 0.000 0.235 310 R C 2.210 178.608 176.300 0.163 0.000 1.127 310 R CA 1.601 57.781 56.100 0.133 0.000 0.968 310 R CB -0.395 29.957 30.300 0.086 0.000 0.861 310 R HN 0.248 nan 8.270 nan 0.000 0.440 311 F N 1.658 121.654 119.950 0.078 0.000 2.126 311 F HA -0.176 4.351 4.527 -0.001 0.000 0.299 311 F C 1.711 177.533 175.800 0.037 0.000 1.096 311 F CA 1.672 59.712 58.000 0.068 0.000 1.255 311 F CB -0.013 39.099 39.000 0.187 0.000 0.997 311 F HN -0.121 nan 8.300 nan 0.000 0.479 312 K N 0.043 120.428 120.400 -0.025 0.000 2.211 312 K HA -0.016 4.304 4.320 -0.001 0.000 0.203 312 K C 1.089 177.612 176.600 -0.127 0.000 1.050 312 K CA 0.771 56.961 56.287 -0.161 0.000 0.945 312 K CB -0.169 32.344 32.500 0.022 0.000 0.732 312 K HN 0.175 nan 8.250 nan 0.000 0.451 326 F N 0.347 120.389 119.950 0.154 0.000 2.802 326 F HA 0.098 4.624 4.527 -0.001 0.000 0.300 326 F C 1.504 177.359 175.800 0.092 0.000 1.168 326 F CA 0.183 58.249 58.000 0.110 0.000 1.433 326 F CB 0.177 39.126 39.000 -0.085 0.000 1.115 326 F HN 0.512 nan 8.300 nan 0.000 0.582 327 D N 0.372 120.904 120.400 0.219 0.000 2.182 327 D HA -0.164 4.475 4.640 -0.001 0.000 0.201 327 D C 2.185 178.575 176.300 0.150 0.000 0.986 327 D CA 1.303 55.393 54.000 0.150 0.000 0.847 327 D CB -0.092 40.772 40.800 0.106 0.000 0.942 327 D HN 0.304 nan 8.370 nan 0.000 0.467 328 A N -0.453 122.485 122.820 0.196 0.000 2.275 328 A HA 0.052 4.372 4.320 -0.001 0.000 0.212 328 A C 1.651 179.366 177.584 0.218 0.000 1.201 328 A CA -0.302 51.851 52.037 0.194 0.000 0.843 328 A CB -0.575 18.544 19.000 0.199 0.000 0.873 328 A HN 0.110 nan 8.150 nan 0.000 0.492 329 F N 2.055 121.988 119.950 -0.028 0.000 2.095 329 F HA -0.088 4.438 4.527 -0.001 0.000 0.298 329 F C -0.836 174.880 175.800 -0.141 0.000 1.104 329 F CA 2.169 59.961 58.000 -0.347 0.000 1.232 329 F CB -0.601 38.168 39.000 -0.386 0.000 0.987 329 F HN 0.195 nan 8.300 nan 0.000 0.475 330 P HA -0.067 nan 4.420 nan 0.000 0.226 330 P C 0.771 178.037 177.300 -0.057 0.000 1.153 330 P CA 1.296 64.373 63.100 -0.039 0.000 0.777 330 P CB -0.060 31.639 31.700 -0.001 0.000 0.794 331 D N -0.508 119.881 120.400 -0.019 0.000 2.269 331 D HA -0.075 4.564 4.640 -0.001 0.000 0.208 331 D C 1.465 177.755 176.300 -0.018 0.000 0.963 331 D CA 1.094 55.091 54.000 -0.004 0.000 0.864 331 D CB -0.039 40.778 40.800 0.028 0.000 0.936 331 D HN 0.056 nan 8.370 nan 0.000 0.505 332 K N -0.454 119.919 120.400 -0.044 0.000 2.373 332 K HA 0.246 4.566 4.320 -0.001 0.000 0.200 332 K C -0.375 176.146 176.600 -0.132 0.000 1.054 332 K CA -0.036 56.231 56.287 -0.033 0.000 1.065 332 K CB 1.568 34.148 32.500 0.133 0.000 0.886 332 K HN -0.085 nan 8.250 nan 0.000 0.546 333 V N 0.647 120.404 119.914 -0.262 0.000 2.686 333 V HA 0.711 4.830 4.120 -0.001 0.000 0.306 333 V C -1.151 174.866 176.094 -0.129 0.000 1.065 333 V CA -1.437 60.705 62.300 -0.263 0.000 0.894 333 V CB 1.801 33.171 31.823 -0.755 0.000 1.004 333 V HN 0.059 nan 8.190 nan 0.000 0.424 334 A N 5.667 128.459 122.820 -0.047 0.000 2.343 334 A HA 0.932 5.251 4.320 -0.001 0.000 0.316 334 A C -0.927 176.699 177.584 0.070 0.000 1.104 334 A CA -0.512 51.530 52.037 0.009 0.000 0.768 334 A CB 1.015 19.962 19.000 -0.088 0.000 1.213 334 A HN 0.774 nan 8.150 nan 0.000 0.456 335 I N 1.914 122.561 120.570 0.128 0.000 2.382 335 I HA 0.293 4.462 4.170 -0.001 0.000 0.286 335 I C -0.366 175.842 176.117 0.150 0.000 1.002 335 I CA -0.534 60.850 61.300 0.139 0.000 1.135 335 I CB 1.871 39.932 38.000 0.101 0.000 1.288 335 I HN 0.693 nan 8.210 nan 0.000 0.448 336 Q N 6.717 126.599 119.800 0.137 0.000 2.290 336 Q HA 0.541 4.880 4.340 -0.001 0.000 0.259 336 Q C -1.373 174.604 176.000 -0.038 0.000 0.941 336 Q CA -0.273 55.622 55.803 0.154 0.000 0.912 336 Q CB 1.517 30.447 28.738 0.320 0.000 1.244 336 Q HN 0.575 nan 8.270 nan 0.000 0.441 337 L N 3.774 125.019 121.223 0.037 0.000 2.262 337 L HA 0.429 4.769 4.340 -0.001 0.000 0.288 337 L C -0.068 176.822 176.870 0.033 0.000 1.035 337 L CA -0.804 54.056 54.840 0.034 0.000 0.820 337 L CB 0.866 42.998 42.059 0.120 0.000 1.204 337 L HN 0.562 nan 8.230 nan 0.000 0.424 338 N N 4.485 123.133 118.700 -0.086 0.000 2.508 338 N HA 0.057 4.796 4.740 -0.001 0.000 0.253 338 N C -0.127 175.394 175.510 0.018 0.000 1.145 338 N CA 0.543 53.599 53.050 0.009 0.000 0.973 338 N CB -0.090 38.362 38.487 -0.058 0.000 1.305 338 N HN 0.625 nan 8.380 nan 0.000 0.506 339 D N -0.162 120.337 120.400 0.164 0.000 4.160 339 D HA -0.227 4.412 4.640 -0.001 0.000 0.291 339 D C 0.309 176.678 176.300 0.116 0.000 2.226 339 D CA 1.525 55.593 54.000 0.113 0.000 1.157 339 D CB -0.471 40.116 40.800 -0.355 0.000 1.020 339 D HN 0.513 nan 8.370 nan 0.000 1.219 340 T N -2.352 112.221 114.554 0.033 0.000 3.148 340 T HA 0.068 4.417 4.350 -0.001 0.000 0.253 340 T C 1.621 176.406 174.700 0.141 0.000 1.134 340 T CA 1.532 63.648 62.100 0.027 0.000 1.051 340 T CB -0.507 68.353 68.868 -0.014 0.000 0.959 340 T HN 0.493 nan 8.240 nan 0.000 0.525 341 H N 2.548 121.706 119.070 0.146 0.000 2.352 341 H HA 0.004 4.559 4.556 -0.001 0.000 0.299 341 H C -0.813 174.608 175.328 0.155 0.000 1.097 341 H CA 0.930 57.081 56.048 0.171 0.000 1.311 341 H CB -0.825 29.039 29.762 0.171 0.000 1.377 341 H HN 0.439 nan 8.280 nan 0.000 0.504 342 P HA 0.081 nan 4.420 nan 0.000 0.254 342 P C 0.734 178.082 177.300 0.081 0.000 1.620 342 P CA 0.344 63.529 63.100 0.141 0.000 1.050 342 P CB 0.327 32.100 31.700 0.122 0.000 1.539 343 S N -0.165 115.576 115.700 0.069 0.000 2.419 343 S HA -0.133 4.337 4.470 -0.001 0.000 0.235 343 S C 1.785 176.392 174.600 0.011 0.000 1.019 343 S CA 0.769 58.970 58.200 0.001 0.000 0.982 343 S CB -1.506 61.668 63.200 -0.043 0.000 0.789 343 S HN 0.148 nan 8.310 nan 0.000 0.490 344 L N 1.081 122.326 121.223 0.036 0.000 2.450 344 L HA -0.015 4.324 4.340 -0.001 0.000 0.224 344 L C 2.932 179.837 176.870 0.058 0.000 1.149 344 L CA 0.648 55.509 54.840 0.034 0.000 0.816 344 L CB -0.781 41.292 42.059 0.024 0.000 0.932 344 L HN 0.475 nan 8.230 nan 0.000 0.449 345 A N 0.513 123.351 122.820 0.031 0.000 1.978 345 A HA -0.212 4.108 4.320 -0.001 0.000 0.220 345 A C 2.178 179.766 177.584 0.007 0.000 1.170 345 A CA 1.590 53.631 52.037 0.008 0.000 0.636 345 A CB -0.481 18.516 19.000 -0.006 0.000 0.810 345 A HN 0.379 nan 8.150 nan 0.000 0.448 346 I N 0.265 120.843 120.570 0.012 0.000 2.110 346 I HA -0.140 4.029 4.170 -0.001 0.000 0.236 346 I C -0.307 175.839 176.117 0.049 0.000 1.068 346 I CA 1.565 62.876 61.300 0.018 0.000 1.333 346 I CB -0.944 37.072 38.000 0.027 0.000 1.054 346 I HN 0.241 nan 8.210 nan 0.000 0.402 347 P HA -0.186 nan 4.420 nan 0.000 0.220 347 P C 1.295 178.620 177.300 0.042 0.000 1.148 347 P CA 1.537 64.673 63.100 0.059 0.000 0.803 347 P CB 0.021 31.779 31.700 0.096 0.000 0.782 348 E N 0.279 120.571 120.200 0.153 0.000 2.072 348 E HA -0.163 4.187 4.350 -0.001 0.000 0.191 348 E C 1.950 178.533 176.600 -0.028 0.000 0.985 348 E CA 0.737 57.236 56.400 0.165 0.000 0.801 348 E CB -1.230 28.611 29.700 0.236 0.000 0.750 348 E HN 0.017 nan 8.360 nan 0.000 0.452 349 L N -0.053 121.125 121.223 -0.074 0.000 2.046 349 L HA -0.113 4.227 4.340 -0.001 0.000 0.208 349 L C 2.126 178.850 176.870 -0.243 0.000 1.077 349 L CA 1.785 56.521 54.840 -0.174 0.000 0.747 349 L CB -0.529 41.432 42.059 -0.164 0.000 0.896 349 L HN 0.241 nan 8.230 nan 0.000 0.432 350 M N -0.803 118.671 119.600 -0.211 0.000 2.159 350 M HA -0.216 4.264 4.480 -0.001 0.000 0.263 350 M C 2.439 178.554 176.300 -0.309 0.000 1.063 350 M CA 1.547 56.661 55.300 -0.309 0.000 1.110 350 M CB -1.181 31.218 32.600 -0.336 0.000 1.374 350 M HN 0.355 nan 8.290 nan 0.000 0.411 351 R N -0.001 120.348 120.500 -0.251 0.000 2.073 351 R HA -0.116 4.223 4.340 -0.001 0.000 0.234 351 R C 2.062 178.245 176.300 -0.196 0.000 1.134 351 R CA 1.499 57.454 56.100 -0.241 0.000 0.952 351 R CB -0.112 30.000 30.300 -0.313 0.000 0.850 351 R HN 0.198 nan 8.270 nan 0.000 0.433 352 V N 1.414 121.211 119.914 -0.195 0.000 2.307 352 V HA -0.242 3.878 4.120 -0.001 0.000 0.245 352 V C 2.402 178.326 176.094 -0.283 0.000 1.045 352 V CA 1.678 63.858 62.300 -0.200 0.000 1.024 352 V CB -0.388 31.314 31.823 -0.202 0.000 0.651 352 V HN 0.336 nan 8.190 nan 0.000 0.449 353 L N -0.599 120.390 121.223 -0.390 0.000 2.046 353 L HA -0.136 4.203 4.340 -0.001 0.000 0.208 353 L C 2.383 179.066 176.870 -0.311 0.000 1.077 353 L CA 1.137 55.684 54.840 -0.487 0.000 0.747 353 L CB -0.589 41.133 42.059 -0.560 0.000 0.896 353 L HN 0.207 nan 8.230 nan 0.000 0.432 354 V N -0.647 119.119 119.914 -0.246 0.000 2.331 354 V HA -0.181 3.938 4.120 -0.001 0.000 0.242 354 V C 1.921 177.963 176.094 -0.087 0.000 1.034 354 V CA 1.693 63.910 62.300 -0.139 0.000 1.027 354 V CB -0.363 31.396 31.823 -0.106 0.000 0.667 354 V HN 0.348 nan 8.190 nan 0.000 0.457 355 D N -0.161 120.180 120.400 -0.098 0.000 2.194 355 D HA 0.017 4.656 4.640 -0.001 0.000 0.204 355 D C 1.986 178.250 176.300 -0.059 0.000 0.964 355 D CA 1.084 55.044 54.000 -0.068 0.000 0.846 355 D CB 0.153 40.908 40.800 -0.074 0.000 0.962 355 D HN 0.340 nan 8.370 nan 0.000 0.490 356 L N 0.070 121.245 121.223 -0.080 0.000 2.445 356 L HA 0.138 4.477 4.340 -0.001 0.000 0.207 356 L C 1.861 178.703 176.870 -0.047 0.000 1.053 356 L CA 0.371 55.178 54.840 -0.056 0.000 0.841 356 L CB 0.073 42.098 42.059 -0.056 0.000 1.074 356 L HN -0.210 nan 8.230 nan 0.000 0.479 357 E N 0.920 121.063 120.200 -0.095 0.000 2.442 357 E HA 0.027 4.377 4.350 -0.001 0.000 0.195 357 E C 0.102 176.681 176.600 -0.035 0.000 1.030 357 E CA 0.006 56.370 56.400 -0.060 0.000 0.869 357 E CB 0.264 29.842 29.700 -0.202 0.000 0.857 357 E HN 0.275 nan 8.360 nan 0.000 0.505 358 R N 0.060 120.526 120.500 -0.057 0.000 3.532 358 R HA -0.186 4.154 4.340 -0.001 0.000 0.284 358 R C -0.464 175.828 176.300 -0.013 0.000 1.140 358 R CA 0.196 56.284 56.100 -0.021 0.000 0.768 358 R CB -2.589 27.715 30.300 0.007 0.000 1.252 358 R HN 0.029 nan 8.270 nan 0.000 0.454 359 L N 1.503 122.693 121.223 -0.055 0.000 2.436 359 L HA 0.111 4.451 4.340 -0.001 0.000 0.265 359 L C 1.130 177.999 176.870 -0.002 0.000 1.168 359 L CA 0.300 55.118 54.840 -0.036 0.000 0.815 359 L CB 0.472 42.467 42.059 -0.107 0.000 1.109 359 L HN 0.176 nan 8.230 nan 0.000 0.462 360 D N -0.005 120.417 120.400 0.037 0.000 2.362 360 D HA -0.090 4.549 4.640 -0.001 0.000 0.242 360 D C 0.945 177.316 176.300 0.119 0.000 1.132 360 D CA -0.445 53.610 54.000 0.092 0.000 0.907 360 D CB 0.513 41.371 40.800 0.098 0.000 1.195 360 D HN 0.522 nan 8.370 nan 0.000 0.429 361 W N 2.241 123.544 121.300 0.006 0.000 2.318 361 W HA -0.250 4.410 4.660 -0.001 0.000 0.313 361 W C 0.797 177.360 176.519 0.073 0.000 1.221 361 W CA 1.881 59.235 57.345 0.016 0.000 1.266 361 W CB -0.310 29.141 29.460 -0.015 0.000 1.150 361 W HN 0.537 nan 8.180 nan 0.000 0.496 362 D N 0.105 120.708 120.400 0.339 0.000 2.144 362 D HA -0.175 4.465 4.640 -0.001 0.000 0.199 362 D C 2.097 178.504 176.300 0.179 0.000 0.984 362 D CA 1.273 55.448 54.000 0.292 0.000 0.834 362 D CB -0.423 40.517 40.800 0.232 0.000 0.955 362 D HN 0.023 nan 8.370 nan 0.000 0.465 363 K N 1.084 121.548 120.400 0.106 0.000 2.026 363 K HA -0.027 4.292 4.320 -0.001 0.000 0.208 363 K C 1.943 178.539 176.600 -0.007 0.000 1.048 363 K CA 1.122 57.441 56.287 0.054 0.000 0.929 363 K CB -0.446 32.080 32.500 0.043 0.000 0.713 363 K HN 0.040 nan 8.250 nan 0.000 0.439 364 A N 0.709 123.485 122.820 -0.073 0.000 1.940 364 A HA -0.196 4.123 4.320 -0.001 0.000 0.219 364 A C 2.167 179.668 177.584 -0.140 0.000 1.176 364 A CA 1.410 53.334 52.037 -0.188 0.000 0.631 364 A CB -1.004 17.809 19.000 -0.310 0.000 0.814 364 A HN 0.674 nan 8.150 nan 0.000 0.446 365 W N 0.746 121.866 121.300 -0.299 0.000 2.418 365 W HA -0.127 4.532 4.660 -0.001 0.000 0.292 365 W C 1.795 178.270 176.519 -0.075 0.000 1.213 365 W CA 1.493 58.712 57.345 -0.210 0.000 1.283 365 W CB -0.088 29.289 29.460 -0.137 0.000 1.119 365 W HN 0.553 nan 8.180 nan 0.000 0.542 366 E N 0.251 120.438 120.200 -0.022 0.000 2.049 366 E HA -0.278 4.071 4.350 -0.001 0.000 0.198 366 E C 2.025 178.540 176.600 -0.142 0.000 1.007 366 E CA 2.226 58.579 56.400 -0.079 0.000 0.809 366 E CB -0.626 29.080 29.700 0.009 0.000 0.749 366 E HN 0.074 nan 8.360 nan 0.000 0.450 367 V N 1.031 120.878 119.914 -0.112 0.000 2.295 367 V HA -0.260 3.859 4.120 -0.001 0.000 0.246 367 V C 2.334 178.353 176.094 -0.124 0.000 1.049 367 V CA 2.200 64.451 62.300 -0.082 0.000 1.024 367 V CB -0.766 31.003 31.823 -0.090 0.000 0.648 367 V HN 0.353 nan 8.190 nan 0.000 0.447 368 T N 0.173 114.584 114.554 -0.239 0.000 2.684 368 T HA -0.183 4.167 4.350 -0.001 0.000 0.267 368 T C 1.931 176.447 174.700 -0.307 0.000 1.036 368 T CA 1.827 63.762 62.100 -0.275 0.000 1.148 368 T CB -0.302 68.355 68.868 -0.352 0.000 0.863 368 T HN 0.292 nan 8.240 nan 0.000 0.436 369 V N 1.268 120.883 119.914 -0.498 0.000 2.358 369 V HA -0.133 3.987 4.120 -0.001 0.000 0.246 369 V C 2.339 178.387 176.094 -0.076 0.000 1.047 369 V CA 1.539 63.612 62.300 -0.378 0.000 1.035 369 V CB -0.497 31.025 31.823 -0.502 0.000 0.658 369 V HN 0.443 nan 8.190 nan 0.000 0.452 370 K N -0.293 120.040 120.400 -0.111 0.000 2.283 370 K HA -0.087 4.233 4.320 -0.001 0.000 0.202 370 K C 2.097 178.665 176.600 -0.054 0.000 1.048 370 K CA 1.531 57.736 56.287 -0.138 0.000 0.948 370 K CB -0.200 32.220 32.500 -0.134 0.000 0.742 370 K HN 0.476 nan 8.250 nan 0.000 0.458 371 T N 0.091 114.671 114.554 0.044 0.000 2.976 371 T HA 0.016 4.365 4.350 -0.001 0.000 0.257 371 T C 0.903 175.711 174.700 0.181 0.000 1.051 371 T CA 0.429 62.593 62.100 0.107 0.000 1.141 371 T CB 0.096 69.056 68.868 0.152 0.000 0.881 371 T HN 0.160 nan 8.240 nan 0.000 0.461 372 C N 2.190 121.581 119.300 0.152 0.000 2.365 372 C HA 0.893 5.353 4.460 -0.001 0.000 0.351 372 C C 0.536 175.578 174.990 0.085 0.000 1.240 372 C CA -1.164 57.919 59.018 0.109 0.000 2.062 372 C CB 0.236 27.983 27.740 0.011 0.000 2.387 372 C HN 0.605 nan 8.230 nan 0.000 0.537 373 A N 1.872 124.732 122.820 0.068 0.000 2.515 373 A HA 0.760 5.080 4.320 -0.001 0.000 0.298 373 A C -1.736 175.913 177.584 0.109 0.000 1.059 373 A CA -0.370 51.654 52.037 -0.021 0.000 0.698 373 A CB 1.184 20.151 19.000 -0.055 0.000 1.289 373 A HN 0.911 nan 8.150 nan 0.000 0.404 374 Y N 0.993 121.240 120.300 -0.088 0.000 2.361 374 Y HA 0.670 5.220 4.550 -0.001 0.000 0.337 374 Y C -0.591 175.292 175.900 -0.028 0.000 0.965 374 Y CA -0.623 57.439 58.100 -0.064 0.000 1.091 374 Y CB 1.964 40.343 38.460 -0.134 0.000 1.182 374 Y HN 0.570 nan 8.280 nan 0.000 0.450 375 T N 6.973 121.376 114.554 -0.252 0.000 2.771 375 T HA 0.252 4.602 4.350 -0.001 0.000 0.281 375 T C -0.690 173.663 174.700 -0.577 0.000 0.982 375 T CA -0.783 61.109 62.100 -0.347 0.000 0.978 375 T CB 0.390 69.276 68.868 0.030 0.000 0.930 375 T HN 0.668 nan 8.240 nan 0.000 0.447 376 N N 1.665 119.995 118.700 -0.617 0.000 2.430 376 N HA 0.155 4.895 4.740 -0.001 0.000 0.292 376 N C 0.044 175.484 175.510 -0.117 0.000 1.051 376 N CA -0.377 52.511 53.050 -0.270 0.000 0.917 376 N CB 0.888 39.316 38.487 -0.098 0.000 1.164 376 N HN 0.667 nan 8.380 nan 0.000 0.484 377 H N 0.995 120.098 119.070 0.055 0.000 2.986 377 H HA 0.152 4.707 4.556 -0.001 0.000 0.267 377 H C -0.159 175.094 175.328 -0.124 0.000 1.072 377 H CA 0.100 56.134 56.048 -0.024 0.000 1.202 377 H CB 1.240 30.994 29.762 -0.013 0.000 1.535 377 H HN 0.565 nan 8.280 nan 0.000 0.522 378 T N -0.032 114.544 114.554 0.037 0.000 2.827 378 T HA 0.200 4.549 4.350 -0.001 0.000 0.328 378 T C 0.418 175.131 174.700 0.021 0.000 1.598 378 T CA -0.302 61.759 62.100 -0.066 0.000 1.043 378 T CB 1.207 70.029 68.868 -0.076 0.000 1.447 378 T HN -0.060 nan 8.240 nan 0.000 0.491 379 V N 1.554 121.447 119.914 -0.036 0.000 3.578 379 V HA 0.548 4.668 4.120 -0.001 0.000 0.290 379 V C 0.648 176.710 176.094 -0.055 0.000 1.376 379 V CA 0.078 62.361 62.300 -0.027 0.000 1.083 379 V CB -0.518 31.293 31.823 -0.019 0.000 0.911 379 V HN 0.685 nan 8.190 nan 0.000 0.433 380 L N 2.178 123.355 121.223 -0.076 0.000 2.477 380 L HA 0.247 4.586 4.340 -0.001 0.000 0.272 380 L C -1.046 175.814 176.870 -0.015 0.000 1.157 380 L CA -1.132 53.680 54.840 -0.046 0.000 0.889 380 L CB 0.634 42.649 42.059 -0.072 0.000 1.158 380 L HN 0.101 nan 8.230 nan 0.000 0.473 381 P HA -0.190 nan 4.420 nan 0.000 0.218 381 P C 1.150 178.435 177.300 -0.025 0.000 1.148 381 P CA 0.923 64.013 63.100 -0.017 0.000 0.822 381 P CB 0.089 31.783 31.700 -0.010 0.000 0.784 382 E N -0.059 120.145 120.200 0.007 0.000 2.418 382 E HA -0.052 4.297 4.350 -0.001 0.000 0.197 382 E C 1.577 178.125 176.600 -0.087 0.000 1.026 382 E CA 1.032 57.415 56.400 -0.029 0.000 0.862 382 E CB -0.732 29.021 29.700 0.089 0.000 0.799 382 E HN 0.169 nan 8.360 nan 0.000 0.518 383 A N 1.376 124.187 122.820 -0.014 0.000 2.067 383 A HA 0.082 4.402 4.320 -0.001 0.000 0.217 383 A C 1.341 178.899 177.584 -0.043 0.000 1.156 383 A CA -0.138 51.906 52.037 0.011 0.000 0.683 383 A CB -0.133 18.897 19.000 0.050 0.000 0.808 383 A HN 0.244 nan 8.150 nan 0.000 0.455 384 L N 1.849 123.007 121.223 -0.109 0.000 2.499 384 L HA 0.075 4.414 4.340 -0.001 0.000 0.273 384 L C -0.134 176.403 176.870 -0.554 0.000 1.195 384 L CA 0.643 55.359 54.840 -0.207 0.000 0.882 384 L CB -0.119 41.841 42.059 -0.166 0.000 1.133 384 L HN 0.399 nan 8.230 nan 0.000 0.483 385 E N 5.955 125.759 120.200 -0.659 0.000 2.129 385 E HA 0.177 4.526 4.350 -0.001 0.000 0.283 385 E C -0.515 175.430 176.600 -1.092 0.000 1.080 385 E CA -0.146 55.448 56.400 -1.344 0.000 0.867 385 E CB 0.571 29.846 29.700 -0.709 0.000 1.056 385 E HN 0.384 nan 8.360 nan 0.000 0.404 386 R N 3.863 123.514 120.500 -1.415 0.000 2.487 386 R HA 0.206 4.545 4.340 -0.001 0.000 0.288 386 R C -1.221 174.872 176.300 -0.345 0.000 1.394 386 R CA -0.582 55.161 56.100 -0.596 0.000 1.155 386 R CB 0.713 30.808 30.300 -0.342 0.000 1.156 386 R HN 0.422 nan 8.270 nan 0.000 0.553 387 W N 4.027 125.285 121.300 -0.069 0.000 2.287 387 W HA 0.272 4.931 4.660 -0.001 0.000 0.313 387 W C -1.913 174.645 176.519 0.065 0.000 1.267 387 W CA -2.263 55.135 57.345 0.089 0.000 1.201 387 W CB 0.570 30.059 29.460 0.050 0.000 1.196 387 W HN 0.234 nan 8.180 nan 0.000 0.536 388 P HA -0.124 nan 4.420 nan 0.000 0.264 388 P C 0.926 178.350 177.300 0.207 0.000 1.193 388 P CA 0.255 63.496 63.100 0.237 0.000 0.763 388 P CB 0.597 32.437 31.700 0.232 0.000 0.810 389 V N 1.750 121.764 119.914 0.167 0.000 2.392 389 V HA -0.293 3.827 4.120 -0.001 0.000 0.249 389 V C 1.948 178.125 176.094 0.138 0.000 1.059 389 V CA 2.096 64.474 62.300 0.130 0.000 1.051 389 V CB -1.812 30.109 31.823 0.163 0.000 0.658 389 V HN 0.537 nan 8.190 nan 0.000 0.455 390 H N -0.104 119.023 119.070 0.095 0.000 2.423 390 H HA -0.006 4.550 4.556 -0.001 0.000 0.297 390 H C 2.056 177.433 175.328 0.081 0.000 1.075 390 H CA 2.031 58.131 56.048 0.086 0.000 1.342 390 H CB -0.058 29.754 29.762 0.084 0.000 1.395 390 H HN 0.452 nan 8.280 nan 0.000 0.530 391 L N -0.302 120.983 121.223 0.102 0.000 2.027 391 L HA -0.148 4.192 4.340 -0.001 0.000 0.206 391 L C 2.008 178.838 176.870 -0.067 0.000 1.074 391 L CA 1.300 56.165 54.840 0.042 0.000 0.745 391 L CB -0.235 41.909 42.059 0.141 0.000 0.898 391 L HN 0.370 nan 8.230 nan 0.000 0.433 392 L N -0.345 120.837 121.223 -0.067 0.000 2.046 392 L HA -0.253 4.087 4.340 -0.001 0.000 0.208 392 L C 2.545 179.329 176.870 -0.143 0.000 1.077 392 L CA 1.403 56.156 54.840 -0.146 0.000 0.747 392 L CB -0.531 41.446 42.059 -0.136 0.000 0.896 392 L HN 0.352 nan 8.230 nan 0.000 0.432 393 E N -0.330 119.802 120.200 -0.112 0.000 2.085 393 E HA -0.232 4.118 4.350 -0.001 0.000 0.194 393 E C 1.959 178.496 176.600 -0.106 0.000 0.994 393 E CA 1.982 58.322 56.400 -0.100 0.000 0.801 393 E CB 0.095 29.754 29.700 -0.068 0.000 0.743 393 E HN 0.435 nan 8.360 nan 0.000 0.453 394 T N 1.024 115.483 114.554 -0.159 0.000 2.732 394 T HA -0.122 4.228 4.350 -0.001 0.000 0.261 394 T C 1.788 176.545 174.700 0.095 0.000 1.040 394 T CA 1.057 63.137 62.100 -0.034 0.000 1.145 394 T CB -0.213 68.615 68.868 -0.067 0.000 0.866 394 T HN 0.100 nan 8.240 nan 0.000 0.427 395 L N -0.018 121.180 121.223 -0.042 0.000 2.095 395 L HA 0.300 4.640 4.340 -0.001 0.000 0.204 395 L C 0.458 177.250 176.870 -0.130 0.000 1.080 395 L CA 1.625 56.337 54.840 -0.214 0.000 0.759 395 L CB 0.002 41.889 42.059 -0.285 0.000 0.914 395 L HN 0.184 nan 8.230 nan 0.000 0.439 396 L N 0.623 121.734 121.223 -0.187 0.000 2.551 396 L HA 0.290 4.629 4.340 -0.001 0.000 0.248 396 L C -1.708 174.980 176.870 -0.303 0.000 1.509 396 L CA -0.993 53.661 54.840 -0.310 0.000 0.842 396 L CB 0.852 42.596 42.059 -0.526 0.000 1.087 396 L HN -0.051 nan 8.230 nan 0.000 0.512 397 P HA -0.194 nan 4.420 nan 0.000 0.215 397 P C 1.464 178.572 177.300 -0.320 0.000 1.153 397 P CA 1.128 64.097 63.100 -0.219 0.000 0.853 397 P CB 0.381 32.016 31.700 -0.108 0.000 0.788 398 R N -0.197 119.939 120.500 -0.607 0.000 2.092 398 R HA -0.134 4.206 4.340 -0.001 0.000 0.231 398 R C 2.285 178.283 176.300 -0.504 0.000 1.119 398 R CA 1.625 57.373 56.100 -0.587 0.000 0.970 398 R CB -1.684 28.105 30.300 -0.852 0.000 0.864 398 R HN 0.261 nan 8.270 nan 0.000 0.440 399 H N -0.702 118.070 119.070 -0.497 0.000 2.387 399 H HA -0.066 4.490 4.556 -0.001 0.000 0.299 399 H C 1.568 176.735 175.328 -0.268 0.000 1.090 399 H CA 1.581 57.417 56.048 -0.353 0.000 1.332 399 H CB -0.140 29.376 29.762 -0.411 0.000 1.386 399 H HN 0.114 nan 8.280 nan 0.000 0.516 400 L N 0.824 121.941 121.223 -0.177 0.000 2.056 400 L HA -0.176 4.164 4.340 -0.001 0.000 0.207 400 L C 1.946 178.691 176.870 -0.209 0.000 1.078 400 L CA 1.589 56.282 54.840 -0.246 0.000 0.749 400 L CB -0.528 41.405 42.059 -0.209 0.000 0.901 400 L HN 0.260 nan 8.230 nan 0.000 0.433 401 Q N -0.500 119.256 119.800 -0.073 0.000 2.077 401 Q HA -0.246 4.093 4.340 -0.001 0.000 0.206 401 Q C 2.292 178.316 176.000 0.040 0.000 0.989 401 Q CA 2.284 58.111 55.803 0.041 0.000 0.853 401 Q CB -0.330 28.407 28.738 -0.002 0.000 0.907 401 Q HN 0.580 nan 8.270 nan 0.000 0.418 402 I N 0.301 120.871 120.570 0.001 0.000 2.252 402 I HA -0.273 3.897 4.170 -0.001 0.000 0.245 402 I C 2.221 178.398 176.117 0.100 0.000 1.102 402 I CA 0.982 62.360 61.300 0.130 0.000 1.385 402 I CB -0.224 37.797 38.000 0.036 0.000 1.064 402 I HN 0.192 nan 8.210 nan 0.000 0.414 403 I N -0.216 120.335 120.570 -0.032 0.000 2.163 403 I HA -0.339 3.831 4.170 -0.001 0.000 0.243 403 I C 2.460 178.556 176.117 -0.035 0.000 1.085 403 I CA 1.652 62.908 61.300 -0.073 0.000 1.347 403 I CB -0.451 37.439 38.000 -0.184 0.000 1.044 403 I HN 0.143 nan 8.210 nan 0.000 0.408 404 Y N 0.704 121.003 120.300 -0.001 0.000 2.207 404 Y HA -0.282 4.268 4.550 -0.001 0.000 0.287 404 Y C 2.586 178.450 175.900 -0.060 0.000 1.156 404 Y CA 1.624 59.712 58.100 -0.020 0.000 1.182 404 Y CB -0.692 37.749 38.460 -0.031 0.000 0.979 404 Y HN 0.209 nan 8.280 nan 0.000 0.521 405 E N 0.364 120.597 120.200 0.055 0.000 2.072 405 E HA -0.127 4.223 4.350 -0.001 0.000 0.190 405 E C 2.060 178.593 176.600 -0.112 0.000 0.982 405 E CA 1.167 57.474 56.400 -0.155 0.000 0.803 405 E CB -0.518 28.901 29.700 -0.468 0.000 0.755 405 E HN 0.461 nan 8.360 nan 0.000 0.453 406 I N 0.837 121.414 120.570 0.011 0.000 2.151 406 I HA -0.325 3.844 4.170 -0.001 0.000 0.243 406 I C 2.275 178.379 176.117 -0.021 0.000 1.080 406 I CA 1.504 62.737 61.300 -0.112 0.000 1.339 406 I CB -0.438 37.480 38.000 -0.136 0.000 1.039 406 I HN 0.218 nan 8.210 nan 0.000 0.409 407 N N 0.514 119.251 118.700 0.061 0.000 2.084 407 N HA -0.261 4.479 4.740 -0.001 0.000 0.190 407 N C 1.823 177.417 175.510 0.139 0.000 1.030 407 N CA 1.475 54.615 53.050 0.151 0.000 0.849 407 N CB -0.118 38.475 38.487 0.176 0.000 1.012 407 N HN 0.199 nan 8.380 nan 0.000 0.423 408 Q N 0.705 120.539 119.800 0.057 0.000 2.050 408 Q HA 0.002 4.341 4.340 -0.001 0.000 0.202 408 Q C 1.962 177.960 176.000 -0.004 0.000 0.980 408 Q CA 1.673 57.480 55.803 0.007 0.000 0.840 408 Q CB -0.123 28.582 28.738 -0.055 0.000 0.898 408 Q HN 0.357 nan 8.270 nan 0.000 0.424 409 R N -1.141 119.338 120.500 -0.034 0.000 2.092 409 R HA -0.093 4.247 4.340 -0.001 0.000 0.231 409 R C 2.155 178.498 176.300 0.071 0.000 1.119 409 R CA 1.226 57.310 56.100 -0.027 0.000 0.970 409 R CB -0.475 29.766 30.300 -0.099 0.000 0.864 409 R HN 0.277 nan 8.270 nan 0.000 0.440 410 F N 1.483 121.422 119.950 -0.018 0.000 2.102 410 F HA -0.103 4.423 4.527 -0.001 0.000 0.298 410 F C 1.815 177.648 175.800 0.055 0.000 1.105 410 F CA 1.363 59.400 58.000 0.061 0.000 1.239 410 F CB -0.148 38.914 39.000 0.103 0.000 0.991 410 F HN -0.117 nan 8.300 nan 0.000 0.474 411 L N 0.016 121.251 121.223 0.019 0.000 2.201 411 L HA -0.200 4.140 4.340 -0.001 0.000 0.212 411 L C 2.054 178.862 176.870 -0.103 0.000 1.105 411 L CA 0.753 55.539 54.840 -0.090 0.000 0.775 411 L CB -0.803 41.270 42.059 0.024 0.000 0.913 411 L HN 0.137 nan 8.230 nan 0.000 0.440 412 N N 0.468 119.131 118.700 -0.062 0.000 2.166 412 N HA -0.147 4.593 4.740 -0.001 0.000 0.186 412 N C 1.894 177.360 175.510 -0.073 0.000 1.019 412 N CA 1.126 54.142 53.050 -0.056 0.000 0.856 412 N CB -0.160 38.304 38.487 -0.038 0.000 0.993 412 N HN 0.310 nan 8.380 nan 0.000 0.426 413 R N 0.163 120.601 120.500 -0.102 0.000 2.075 413 R HA 0.011 4.350 4.340 -0.001 0.000 0.232 413 R C 2.082 178.294 176.300 -0.146 0.000 1.126 413 R CA 0.800 56.835 56.100 -0.109 0.000 0.963 413 R CB -0.386 29.860 30.300 -0.091 0.000 0.858 413 R HN 0.040 nan 8.270 nan 0.000 0.435 414 V N 1.095 120.867 119.914 -0.238 0.000 2.295 414 V HA -0.244 3.876 4.120 -0.001 0.000 0.246 414 V C 2.459 178.554 176.094 0.001 0.000 1.049 414 V CA 2.007 64.230 62.300 -0.127 0.000 1.024 414 V CB -0.728 30.946 31.823 -0.249 0.000 0.648 414 V HN 0.405 nan 8.190 nan 0.000 0.447 415 A N -0.051 122.742 122.820 -0.044 0.000 1.933 415 A HA -0.110 4.210 4.320 -0.001 0.000 0.218 415 A C 2.402 179.971 177.584 -0.025 0.000 1.175 415 A CA 2.083 54.111 52.037 -0.016 0.000 0.628 415 A CB -0.717 18.265 19.000 -0.029 0.000 0.814 415 A HN 0.575 nan 8.150 nan 0.000 0.444 416 A N -0.324 122.464 122.820 -0.053 0.000 1.930 416 A HA 0.226 4.546 4.320 -0.001 0.000 0.217 416 A C 2.450 179.958 177.584 -0.127 0.000 1.175 416 A CA 1.884 53.878 52.037 -0.072 0.000 0.627 416 A CB -0.834 18.128 19.000 -0.065 0.000 0.815 416 A HN 0.995 nan 8.150 nan 0.000 0.443 417 A N -1.591 121.119 122.820 -0.183 0.000 1.929 417 A HA 0.286 4.606 4.320 -0.001 0.000 0.216 417 A C 0.564 177.720 177.584 -0.712 0.000 1.176 417 A CA 0.714 52.479 52.037 -0.452 0.000 0.628 417 A CB -0.258 18.428 19.000 -0.523 0.000 0.816 417 A HN 0.453 nan 8.150 nan 0.000 0.444 418 F N -0.158 119.748 119.950 -0.073 0.000 2.584 418 F HA 0.337 4.863 4.527 -0.001 0.000 0.328 418 F C -2.789 172.976 175.800 -0.058 0.000 1.407 418 F CA -2.728 55.233 58.000 -0.065 0.000 1.145 418 F CB 0.865 39.818 39.000 -0.079 0.000 1.440 418 F HN -0.062 nan 8.300 nan 0.000 0.580 419 P HA 0.223 nan 4.420 nan 0.000 0.267 419 P C 0.993 178.313 177.300 0.032 0.000 1.209 419 P CA 0.892 64.005 63.100 0.022 0.000 0.763 419 P CB 0.941 32.635 31.700 -0.010 0.000 0.816 420 G N 2.722 111.535 108.800 0.022 0.000 2.199 420 G HA2 -0.237 3.722 3.960 -0.001 0.000 0.254 420 G HA3 -0.237 3.722 3.960 -0.001 0.000 0.254 420 G C 0.305 175.215 174.900 0.015 0.000 0.982 420 G CA -0.066 45.043 45.100 0.014 0.000 0.632 420 G HN 0.592 nan 8.290 nan 0.000 0.529 421 D N 1.287 121.705 120.400 0.030 0.000 2.498 421 D HA 0.432 5.071 4.640 -0.001 0.000 0.229 421 D C 1.736 178.024 176.300 -0.019 0.000 1.188 421 D CA 0.245 54.247 54.000 0.003 0.000 1.028 421 D CB 0.516 41.315 40.800 -0.002 0.000 1.087 421 D HN 0.111 nan 8.370 nan 0.000 0.510 422 V N 2.816 122.720 119.914 -0.016 0.000 2.358 422 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 422 V C 1.843 177.923 176.094 -0.024 0.000 1.047 422 V CA 2.097 64.387 62.300 -0.016 0.000 1.035 422 V CB -0.442 31.376 31.823 -0.009 0.000 0.658 422 V HN 0.534 nan 8.190 nan 0.000 0.452 423 D N 0.244 120.627 120.400 -0.028 0.000 2.178 423 D HA -0.235 4.404 4.640 -0.001 0.000 0.201 423 D C 2.131 178.401 176.300 -0.051 0.000 0.980 423 D CA 1.089 55.072 54.000 -0.029 0.000 0.842 423 D CB -0.453 40.332 40.800 -0.025 0.000 0.948 423 D HN 0.313 nan 8.370 nan 0.000 0.472 424 R N 0.466 120.912 120.500 -0.090 0.000 2.091 424 R HA -0.098 4.242 4.340 -0.001 0.000 0.238 424 R C 2.187 178.411 176.300 -0.127 0.000 1.136 424 R CA 1.033 57.041 56.100 -0.152 0.000 0.959 424 R CB -0.344 29.808 30.300 -0.247 0.000 0.856 424 R HN 0.265 nan 8.270 nan 0.000 0.437 425 L N 0.162 121.336 121.223 -0.081 0.000 2.012 425 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 425 L C 2.932 179.800 176.870 -0.003 0.000 1.073 425 L CA 1.674 56.486 54.840 -0.047 0.000 0.748 425 L CB -0.559 41.486 42.059 -0.024 0.000 0.891 425 L HN 0.284 nan 8.230 nan 0.000 0.431 426 R N 0.404 120.907 120.500 0.005 0.000 2.073 426 R HA -0.156 4.183 4.340 -0.001 0.000 0.234 426 R C 2.489 178.830 176.300 0.070 0.000 1.134 426 R CA 1.465 57.589 56.100 0.040 0.000 0.952 426 R CB -0.068 30.250 30.300 0.030 0.000 0.850 426 R HN 0.319 nan 8.270 nan 0.000 0.433 427 R N -0.389 120.133 120.500 0.038 0.000 2.092 427 R HA -0.046 4.294 4.340 -0.001 0.000 0.231 427 R C 2.211 178.571 176.300 0.101 0.000 1.119 427 R CA 1.579 57.725 56.100 0.077 0.000 0.970 427 R CB -0.113 30.197 30.300 0.017 0.000 0.864 427 R HN 0.316 nan 8.270 nan 0.000 0.440 428 M N 0.138 119.713 119.600 -0.043 0.000 2.514 428 M HA 0.038 4.517 4.480 -0.001 0.000 0.258 428 M C 0.925 177.313 176.300 0.146 0.000 1.119 428 M CA 0.065 55.255 55.300 -0.184 0.000 1.111 428 M CB 0.345 32.703 32.600 -0.403 0.000 1.390 428 M HN -0.068 nan 8.290 nan 0.000 0.475 429 S N 0.893 116.724 115.700 0.217 0.000 2.558 429 S HA 0.000 4.470 4.470 -0.001 0.000 0.291 429 S C 1.013 175.858 174.600 0.409 0.000 1.306 429 S CA -0.383 57.988 58.200 0.285 0.000 1.056 429 S CB 0.590 63.910 63.200 0.200 0.000 0.836 429 S HN 0.209 nan 8.310 nan 0.000 0.504 430 L N 5.296 126.714 121.223 0.324 0.000 2.275 430 L HA 0.112 4.451 4.340 -0.001 0.000 0.215 430 L C 0.542 177.516 176.870 0.174 0.000 1.119 430 L CA 0.887 55.877 54.840 0.250 0.000 0.790 430 L CB -0.560 41.584 42.059 0.141 0.000 0.919 430 L HN 0.470 nan 8.230 nan 0.000 0.443 431 V N 0.101 120.127 119.914 0.187 0.000 2.383 431 V HA 0.190 4.310 4.120 -0.001 0.000 0.275 431 V C 0.170 176.348 176.094 0.140 0.000 1.036 431 V CA -0.855 61.542 62.300 0.162 0.000 0.889 431 V CB 1.178 33.129 31.823 0.214 0.000 0.985 431 V HN 0.160 nan 8.190 nan 0.000 0.459 432 E N 3.912 124.173 120.200 0.102 0.000 2.134 432 E HA 0.336 4.685 4.350 -0.001 0.000 0.278 432 E C -0.597 176.049 176.600 0.077 0.000 0.959 432 E CA -0.648 55.801 56.400 0.081 0.000 0.783 432 E CB 1.442 31.167 29.700 0.042 0.000 1.095 432 E HN 0.596 nan 8.360 nan 0.000 0.399 433 E N 1.337 121.580 120.200 0.072 0.000 2.374 433 E HA 0.543 4.893 4.350 -0.001 0.000 0.260 433 E C 0.405 177.035 176.600 0.050 0.000 1.101 433 E CA -0.291 56.146 56.400 0.061 0.000 0.907 433 E CB 1.531 31.263 29.700 0.053 0.000 1.014 433 E HN 0.749 nan 8.360 nan 0.000 0.427 434 G N -0.767 108.060 108.800 0.046 0.000 2.343 434 G HA2 0.258 4.218 3.960 -0.001 0.000 0.289 434 G HA3 0.258 4.218 3.960 -0.001 0.000 0.289 434 G C 0.250 175.173 174.900 0.037 0.000 1.295 434 G CA -0.081 45.042 45.100 0.039 0.000 0.869 434 G HN 0.404 nan 8.290 nan 0.000 0.522 435 A N -1.223 121.616 122.820 0.032 0.000 1.940 435 A HA 0.359 4.679 4.320 -0.001 0.000 0.219 435 A C 1.158 178.763 177.584 0.036 0.000 1.176 435 A CA 2.281 54.336 52.037 0.029 0.000 0.631 435 A CB -0.348 18.666 19.000 0.024 0.000 0.814 435 A HN 1.455 nan 8.150 nan 0.000 0.446 436 V N 0.792 120.733 119.914 0.045 0.000 2.334 436 V HA 0.235 4.355 4.120 -0.001 0.000 0.281 436 V C 0.055 176.192 176.094 0.071 0.000 1.016 436 V CA -0.793 61.543 62.300 0.060 0.000 0.832 436 V CB 1.280 33.142 31.823 0.065 0.000 0.999 436 V HN 0.439 nan 8.190 nan 0.000 0.439 437 K N 5.098 125.549 120.400 0.085 0.000 2.350 437 K HA 0.473 4.792 4.320 -0.001 0.000 0.279 437 K C -0.124 176.542 176.600 0.110 0.000 1.027 437 K CA -0.115 56.231 56.287 0.098 0.000 0.969 437 K CB 0.590 33.160 32.500 0.116 0.000 0.954 437 K HN 0.647 nan 8.250 nan 0.000 0.474 438 R N 2.908 123.465 120.500 0.096 0.000 2.836 438 R HA 0.470 4.809 4.340 -0.001 0.000 0.269 438 R C -0.900 175.440 176.300 0.067 0.000 1.010 438 R CA -1.074 55.078 56.100 0.088 0.000 0.930 438 R CB 1.157 31.489 30.300 0.054 0.000 1.218 438 R HN 0.412 nan 8.270 nan 0.000 0.473 439 I N 1.903 122.509 120.570 0.060 0.000 2.321 439 I HA 0.163 4.332 4.170 -0.001 0.000 0.291 439 I C -0.164 175.934 176.117 -0.032 0.000 0.998 439 I CA -0.805 60.510 61.300 0.025 0.000 1.227 439 I CB 0.997 39.008 38.000 0.019 0.000 1.368 439 I HN 0.506 nan 8.210 nan 0.000 0.466 440 N N 7.087 125.738 118.700 -0.081 0.000 2.401 440 N HA 0.097 4.837 4.740 -0.001 0.000 0.255 440 N C 0.716 176.127 175.510 -0.164 0.000 1.110 440 N CA -0.243 52.682 53.050 -0.208 0.000 0.949 440 N CB 1.006 39.239 38.487 -0.423 0.000 1.110 440 N HN 0.382 nan 8.380 nan 0.000 0.490 441 M N 2.589 122.088 119.600 -0.168 0.000 2.349 441 M HA 0.002 4.481 4.480 -0.001 0.000 0.266 441 M C 1.882 178.044 176.300 -0.229 0.000 1.076 441 M CA 0.509 55.731 55.300 -0.129 0.000 1.126 441 M CB -1.443 31.128 32.600 -0.047 0.000 1.392 441 M HN 0.622 nan 8.290 nan 0.000 0.440 442 A N -0.225 122.454 122.820 -0.235 0.000 1.902 442 A HA -0.177 4.143 4.320 -0.001 0.000 0.217 442 A C 1.976 179.349 177.584 -0.352 0.000 1.181 442 A CA 1.510 53.369 52.037 -0.296 0.000 0.623 442 A CB -1.147 17.863 19.000 0.016 0.000 0.818 442 A HN 0.577 nan 8.150 nan 0.000 0.443 443 H N -1.466 117.413 119.070 -0.319 0.000 2.353 443 H HA -0.117 4.439 4.556 -0.001 0.000 0.300 443 H C 2.101 177.221 175.328 -0.346 0.000 1.090 443 H CA 1.132 56.974 56.048 -0.345 0.000 1.327 443 H CB -0.041 29.720 29.762 -0.003 0.000 1.383 443 H HN 0.440 nan 8.280 nan 0.000 0.508 444 L N 0.644 121.790 121.223 -0.127 0.000 2.046 444 L HA -0.173 4.167 4.340 -0.001 0.000 0.208 444 L C 2.276 179.010 176.870 -0.226 0.000 1.077 444 L CA 1.461 56.216 54.840 -0.141 0.000 0.747 444 L CB -0.765 41.240 42.059 -0.089 0.000 0.896 444 L HN 0.292 nan 8.230 nan 0.000 0.432 445 C N -0.337 118.730 119.300 -0.388 0.000 2.429 445 C HA -0.125 4.335 4.460 -0.001 0.000 0.277 445 C C 2.708 177.444 174.990 -0.423 0.000 1.262 445 C CA 1.026 59.731 59.018 -0.522 0.000 1.733 445 C CB -0.932 26.101 27.740 -1.180 0.000 2.010 445 C HN 0.618 nan 8.230 nan 0.000 0.483 446 I N 1.364 121.635 120.570 -0.499 0.000 2.252 446 I HA -0.176 3.994 4.170 -0.001 0.000 0.245 446 I C 2.758 178.714 176.117 -0.269 0.000 1.102 446 I CA 1.567 62.614 61.300 -0.421 0.000 1.385 446 I CB -0.595 36.981 38.000 -0.707 0.000 1.064 446 I HN 0.258 nan 8.210 nan 0.000 0.414 447 A N 0.710 123.327 122.820 -0.339 0.000 1.933 447 A HA -0.111 4.209 4.320 -0.001 0.000 0.218 447 A C 2.240 179.857 177.584 0.056 0.000 1.175 447 A CA 1.913 53.775 52.037 -0.291 0.000 0.628 447 A CB -1.182 17.431 19.000 -0.645 0.000 0.814 447 A HN 0.480 nan 8.150 nan 0.000 0.444 448 G N -1.283 107.512 108.800 -0.008 0.000 3.189 448 G HA2 0.400 4.359 3.960 -0.001 0.000 0.225 448 G HA3 0.400 4.359 3.960 -0.001 0.000 0.225 448 G C 0.151 174.921 174.900 -0.218 0.000 1.159 448 G CA 0.506 45.529 45.100 -0.128 0.000 0.763 448 G HN 0.351 nan 8.290 nan 0.000 0.549 449 S N -0.297 115.316 115.700 -0.145 0.000 2.513 449 S HA 0.320 4.789 4.470 -0.001 0.000 0.299 449 S C 0.748 175.304 174.600 -0.074 0.000 1.087 449 S CA -0.705 57.429 58.200 -0.110 0.000 1.012 449 S CB 1.272 64.407 63.200 -0.109 0.000 1.044 449 S HN 0.506 nan 8.310 nan 0.000 0.485 450 H N 0.094 119.131 119.070 -0.054 0.000 2.551 450 H HA 0.485 5.040 4.556 -0.001 0.000 0.266 450 H C 0.149 175.470 175.328 -0.012 0.000 0.964 450 H CA 0.289 56.330 56.048 -0.011 0.000 1.180 450 H CB 0.151 29.918 29.762 0.009 0.000 1.408 450 H HN 0.505 nan 8.280 nan 0.000 0.563 451 A N 0.923 123.449 122.820 -0.490 0.000 2.520 451 A HA 0.562 4.881 4.320 -0.001 0.000 0.298 451 A C -1.425 175.957 177.584 -0.336 0.000 1.051 451 A CA -0.583 51.226 52.037 -0.380 0.000 0.690 451 A CB 2.276 21.036 19.000 -0.400 0.000 1.281 451 A HN 0.094 nan 8.150 nan 0.000 0.402 452 V N 3.977 123.647 119.914 -0.406 0.000 2.577 452 V HA 0.525 4.645 4.120 -0.001 0.000 0.303 452 V C -0.799 175.084 176.094 -0.352 0.000 1.042 452 V CA -0.770 61.270 62.300 -0.434 0.000 0.872 452 V CB 1.795 33.180 31.823 -0.730 0.000 0.998 452 V HN 1.004 nan 8.190 nan 0.000 0.423 453 N N 3.259 121.781 118.700 -0.296 0.000 2.238 453 N HA 0.578 5.318 4.740 -0.001 0.000 0.302 453 N C -0.197 175.201 175.510 -0.187 0.000 1.072 453 N CA -0.347 52.576 53.050 -0.212 0.000 0.792 453 N CB 2.851 41.194 38.487 -0.239 0.000 1.425 453 N HN 0.630 nan 8.380 nan 0.000 0.478 454 G N -0.513 108.213 108.800 -0.123 0.000 2.557 454 G HA2 0.396 4.355 3.960 -0.001 0.000 0.292 454 G HA3 0.396 4.355 3.960 -0.001 0.000 0.292 454 G C 0.858 175.799 174.900 0.069 0.000 1.237 454 G CA -0.368 44.718 45.100 -0.025 0.000 0.978 454 G HN 0.637 nan 8.290 nan 0.000 0.498 455 V N -3.951 116.102 119.914 0.232 0.000 3.528 455 V HA 0.693 4.813 4.120 -0.001 0.000 0.294 455 V C 0.642 176.798 176.094 0.103 0.000 1.404 455 V CA 0.563 62.919 62.300 0.093 0.000 1.065 455 V CB -0.733 31.080 31.823 -0.017 0.000 0.904 455 V HN 1.266 nan 8.190 nan 0.000 0.435 456 A N -0.079 122.817 122.820 0.126 0.000 2.610 456 A HA 0.687 5.007 4.320 -0.001 0.000 0.291 456 A C 0.648 178.276 177.584 0.073 0.000 1.086 456 A CA -0.137 51.956 52.037 0.094 0.000 0.677 456 A CB 1.213 20.261 19.000 0.079 0.000 1.278 456 A HN 0.022 nan 8.150 nan 0.000 0.414 457 R N 0.236 120.762 120.500 0.043 0.000 2.096 457 R HA -0.153 4.187 4.340 -0.001 0.000 0.240 457 R C 1.804 178.105 176.300 0.001 0.000 1.139 457 R CA 2.293 58.399 56.100 0.010 0.000 0.952 457 R CB -0.309 29.992 30.300 0.002 0.000 0.854 457 R HN 0.786 nan 8.270 nan 0.000 0.436 458 I N 0.090 120.669 120.570 0.015 0.000 2.226 458 I HA -0.313 3.856 4.170 -0.001 0.000 0.245 458 I C 2.270 178.402 176.117 0.025 0.000 1.100 458 I CA 1.942 63.245 61.300 0.006 0.000 1.374 458 I CB -0.211 37.791 38.000 0.003 0.000 1.057 458 I HN 0.360 nan 8.210 nan 0.000 0.413 459 H N 0.363 119.404 119.070 -0.049 0.000 2.326 459 H HA -0.119 4.437 4.556 -0.001 0.000 0.301 459 H C 2.297 177.590 175.328 -0.058 0.000 1.081 459 H CA 2.221 58.235 56.048 -0.056 0.000 1.334 459 H CB -0.315 29.418 29.762 -0.049 0.000 1.385 459 H HN 0.255 nan 8.280 nan 0.000 0.504 460 S N 0.394 115.996 115.700 -0.163 0.000 2.399 460 S HA -0.126 4.344 4.470 -0.001 0.000 0.231 460 S C 1.887 176.379 174.600 -0.180 0.000 1.022 460 S CA 1.185 59.264 58.200 -0.202 0.000 0.983 460 S CB -0.069 63.074 63.200 -0.095 0.000 0.803 460 S HN 0.478 nan 8.310 nan 0.000 0.480 461 E N 1.179 121.292 120.200 -0.145 0.000 2.072 461 E HA -0.007 4.343 4.350 -0.001 0.000 0.191 461 E C 2.023 178.508 176.600 -0.191 0.000 0.985 461 E CA 0.705 57.007 56.400 -0.163 0.000 0.801 461 E CB -0.390 29.244 29.700 -0.110 0.000 0.750 461 E HN 0.516 nan 8.360 nan 0.000 0.452 462 I N 1.131 121.604 120.570 -0.163 0.000 2.286 462 I HA -0.266 3.903 4.170 -0.001 0.000 0.248 462 I C 2.421 178.408 176.117 -0.216 0.000 1.115 462 I CA 0.726 61.930 61.300 -0.159 0.000 1.392 462 I CB -0.275 37.660 38.000 -0.107 0.000 1.065 462 I HN 0.038 nan 8.210 nan 0.000 0.418 463 L N 0.439 121.501 121.223 -0.268 0.000 2.012 463 L HA -0.259 4.081 4.340 -0.001 0.000 0.210 463 L C 2.551 179.291 176.870 -0.217 0.000 1.073 463 L CA 1.704 56.404 54.840 -0.232 0.000 0.748 463 L CB -0.661 41.352 42.059 -0.076 0.000 0.891 463 L HN 0.242 nan 8.230 nan 0.000 0.431 464 K N -0.206 119.979 120.400 -0.358 0.000 2.103 464 K HA -0.125 4.195 4.320 -0.001 0.000 0.204 464 K C 2.171 178.531 176.600 -0.399 0.000 1.052 464 K CA 0.934 56.828 56.287 -0.655 0.000 0.945 464 K CB 0.001 31.865 32.500 -1.060 0.000 0.722 464 K HN 0.243 nan 8.250 nan 0.000 0.443 465 K N -0.193 120.046 120.400 -0.268 0.000 2.076 465 K HA -0.029 4.291 4.320 -0.001 0.000 0.204 465 K C 1.495 178.036 176.600 -0.098 0.000 1.051 465 K CA 1.353 57.548 56.287 -0.153 0.000 0.949 465 K CB 0.289 32.713 32.500 -0.126 0.000 0.726 465 K HN 0.077 nan 8.250 nan 0.000 0.443 466 T N -0.138 114.348 114.554 -0.112 0.000 3.361 466 T HA 0.191 4.540 4.350 -0.001 0.000 0.241 466 T C 1.788 176.436 174.700 -0.086 0.000 0.998 466 T CA -0.217 61.833 62.100 -0.084 0.000 1.215 466 T CB -0.021 68.793 68.868 -0.090 0.000 1.196 466 T HN -0.059 nan 8.240 nan 0.000 0.376 467 I N 0.769 121.230 120.570 -0.181 0.000 2.226 467 I HA -0.043 4.126 4.170 -0.001 0.000 0.245 467 I C 0.664 176.637 176.117 -0.240 0.000 1.100 467 I CA 1.538 62.653 61.300 -0.309 0.000 1.374 467 I CB -0.037 37.624 38.000 -0.566 0.000 1.057 467 I HN 0.182 nan 8.210 nan 0.000 0.413 468 F N 0.597 120.606 119.950 0.097 0.000 2.908 468 F HA 0.265 4.792 4.527 -0.001 0.000 0.328 468 F C 1.619 177.493 175.800 0.124 0.000 1.211 468 F CA -0.827 57.313 58.000 0.233 0.000 1.291 468 F CB -0.551 38.615 39.000 0.276 0.000 0.962 468 F HN -0.135 nan 8.300 nan 0.000 0.505 469 K N 0.713 121.210 120.400 0.161 0.000 2.044 469 K HA -0.206 4.113 4.320 -0.001 0.000 0.210 469 K C 1.225 177.866 176.600 0.069 0.000 1.049 469 K CA 2.218 58.546 56.287 0.069 0.000 0.927 469 K CB 0.070 32.579 32.500 0.016 0.000 0.713 469 K HN 0.148 nan 8.250 nan 0.000 0.443 470 D N -0.111 120.302 120.400 0.023 0.000 2.117 470 D HA -0.153 4.486 4.640 -0.001 0.000 0.197 470 D C 1.833 178.046 176.300 -0.144 0.000 0.987 470 D CA 1.194 55.088 54.000 -0.177 0.000 0.829 470 D CB -0.349 40.248 40.800 -0.338 0.000 0.961 470 D HN 0.238 nan 8.370 nan 0.000 0.460 471 F N 0.013 120.029 119.950 0.110 0.000 2.186 471 F HA -0.151 4.375 4.527 -0.001 0.000 0.299 471 F C 2.359 178.282 175.800 0.205 0.000 1.090 471 F CA 0.557 58.698 58.000 0.235 0.000 1.307 471 F CB -0.692 38.530 39.000 0.370 0.000 1.019 471 F HN -0.037 nan 8.300 nan 0.000 0.489 472 Y N 1.385 121.643 120.300 -0.071 0.000 2.181 472 Y HA -0.211 4.339 4.550 -0.001 0.000 0.288 472 Y C 2.122 177.997 175.900 -0.041 0.000 1.146 472 Y CA 1.700 59.589 58.100 -0.352 0.000 1.164 472 Y CB -0.647 37.441 38.460 -0.620 0.000 0.982 472 Y HN 0.147 nan 8.280 nan 0.000 0.515 473 E N -0.407 119.723 120.200 -0.116 0.000 2.106 473 E HA -0.187 4.163 4.350 -0.001 0.000 0.192 473 E C 2.024 178.683 176.600 0.097 0.000 0.984 473 E CA 1.140 57.489 56.400 -0.084 0.000 0.806 473 E CB -0.276 29.415 29.700 -0.015 0.000 0.750 473 E HN 0.426 nan 8.360 nan 0.000 0.458 474 L N 0.975 122.295 121.223 0.162 0.000 2.072 474 L HA -0.077 4.262 4.340 -0.001 0.000 0.205 474 L C 0.314 177.264 176.870 0.134 0.000 1.079 474 L CA 1.706 56.682 54.840 0.227 0.000 0.752 474 L CB 0.351 42.540 42.059 0.216 0.000 0.906 474 L HN -0.087 nan 8.230 nan 0.000 0.436 475 E N -0.519 119.744 120.200 0.104 0.000 3.386 475 E HA 0.170 4.520 4.350 -0.001 0.000 0.236 475 E C -1.992 174.503 176.600 -0.175 0.000 1.227 475 E CA -1.193 55.157 56.400 -0.082 0.000 0.970 475 E CB 0.810 30.500 29.700 -0.017 0.000 1.343 475 E HN 0.194 nan 8.360 nan 0.000 0.397 476 P HA -0.236 nan 4.420 nan 0.000 0.218 476 P C 1.227 178.603 177.300 0.127 0.000 1.149 476 P CA 1.345 64.345 63.100 -0.167 0.000 0.817 476 P CB -0.080 31.400 31.700 -0.366 0.000 0.785 477 H N 0.166 119.339 119.070 0.173 0.000 2.518 477 H HA 0.043 4.598 4.556 -0.001 0.000 0.289 477 H C 1.435 176.861 175.328 0.163 0.000 1.051 477 H CA 0.821 56.962 56.048 0.156 0.000 1.280 477 H CB -0.687 29.137 29.762 0.103 0.000 1.380 477 H HN 0.168 nan 8.280 nan 0.000 0.566 478 K N 0.207 120.550 120.400 -0.095 0.000 2.217 478 K HA 0.026 4.346 4.320 -0.001 0.000 0.202 478 K C -0.146 176.362 176.600 -0.153 0.000 1.051 478 K CA 0.295 56.522 56.287 -0.100 0.000 0.952 478 K CB 0.099 32.442 32.500 -0.261 0.000 0.736 478 K HN 0.078 nan 8.250 nan 0.000 0.453 479 F N 1.763 121.750 119.950 0.061 0.000 2.420 479 F HA 0.183 4.710 4.527 -0.001 0.000 0.352 479 F C 0.446 176.249 175.800 0.004 0.000 1.108 479 F CA -0.088 57.943 58.000 0.051 0.000 1.162 479 F CB 0.962 40.042 39.000 0.133 0.000 1.118 479 F HN -0.100 nan 8.300 nan 0.000 0.510 480 Q N 1.752 121.575 119.800 0.038 0.000 2.544 480 Q HA 0.350 4.690 4.340 -0.001 0.000 0.291 480 Q C -1.169 174.788 176.000 -0.072 0.000 1.068 480 Q CA -1.231 54.550 55.803 -0.038 0.000 0.785 480 Q CB 3.195 31.857 28.738 -0.127 0.000 1.481 480 Q HN 0.617 nan 8.270 nan 0.000 0.430 481 N N 0.751 119.392 118.700 -0.098 0.000 2.321 481 N HA 0.266 5.006 4.740 -0.001 0.000 0.299 481 N C -1.410 173.998 175.510 -0.170 0.000 1.048 481 N CA -0.395 52.592 53.050 -0.105 0.000 0.836 481 N CB 0.965 39.414 38.487 -0.064 0.000 1.269 481 N HN 0.272 nan 8.380 nan 0.000 0.486 482 K N 2.787 123.087 120.400 -0.168 0.000 2.675 482 K HA 0.185 4.504 4.320 -0.001 0.000 0.224 482 K C -0.914 175.688 176.600 0.003 0.000 1.003 482 K CA -0.495 55.674 56.287 -0.197 0.000 1.034 482 K CB 1.236 33.400 32.500 -0.559 0.000 1.218 482 K HN 0.534 nan 8.250 nan 0.000 0.507 483 T N 2.568 117.142 114.554 0.033 0.000 2.908 483 T HA 0.051 4.400 4.350 -0.001 0.000 0.301 483 T C 0.752 175.569 174.700 0.196 0.000 1.019 483 T CA 0.109 62.276 62.100 0.112 0.000 1.152 483 T CB 0.174 69.111 68.868 0.114 0.000 0.966 483 T HN 0.255 nan 8.240 nan 0.000 0.540 484 N N 1.248 120.080 118.700 0.220 0.000 2.307 484 N HA 0.399 5.139 4.740 -0.001 0.000 0.230 484 N C 0.532 176.217 175.510 0.292 0.000 1.297 484 N CA 0.363 53.572 53.050 0.265 0.000 0.884 484 N CB 0.415 39.003 38.487 0.169 0.000 1.115 484 N HN 0.872 nan 8.380 nan 0.000 0.436 485 G N -1.235 107.745 108.800 0.301 0.000 2.687 485 G HA2 0.677 4.636 3.960 -0.001 0.000 0.291 485 G HA3 0.677 4.636 3.960 -0.001 0.000 0.291 485 G C -1.240 173.790 174.900 0.217 0.000 1.420 485 G CA -0.702 44.565 45.100 0.279 0.000 0.796 485 G HN 0.581 nan 8.290 nan 0.000 0.485 486 I N -2.332 118.357 120.570 0.198 0.000 2.730 486 I HA 0.714 4.883 4.170 -0.001 0.000 0.298 486 I C -0.255 176.023 176.117 0.268 0.000 1.089 486 I CA -0.919 60.492 61.300 0.186 0.000 1.041 486 I CB 2.430 40.434 38.000 0.006 0.000 1.235 486 I HN 0.491 nan 8.210 nan 0.000 0.423 487 T N 4.712 119.478 114.554 0.354 0.000 2.814 487 T HA 0.350 4.700 4.350 -0.001 0.000 0.297 487 T C -1.459 173.368 174.700 0.212 0.000 0.956 487 T CA -1.488 60.749 62.100 0.227 0.000 1.123 487 T CB 0.756 69.703 68.868 0.132 0.000 0.902 487 T HN 0.648 nan 8.240 nan 0.000 0.528 488 P HA 0.097 nan 4.420 nan 0.000 0.245 488 P C 0.971 178.247 177.300 -0.040 0.000 1.212 488 P CA 0.192 63.338 63.100 0.076 0.000 0.774 488 P CB 0.374 32.109 31.700 0.059 0.000 0.999 489 R N 0.565 120.999 120.500 -0.110 0.000 2.065 489 R HA 0.040 4.380 4.340 -0.001 0.000 0.224 489 R C 2.642 178.835 176.300 -0.177 0.000 1.161 489 R CA 1.454 57.447 56.100 -0.178 0.000 0.923 489 R CB -1.396 28.800 30.300 -0.175 0.000 0.822 489 R HN 0.004 nan 8.270 nan 0.000 0.437 490 R N -0.660 119.681 120.500 -0.265 0.000 2.103 490 R HA -0.160 4.180 4.340 -0.001 0.000 0.242 490 R C 1.034 177.015 176.300 -0.533 0.000 1.142 490 R CA 1.925 57.711 56.100 -0.522 0.000 0.960 490 R CB -0.208 29.578 30.300 -0.856 0.000 0.858 490 R HN 0.326 nan 8.270 nan 0.000 0.439 491 W N -0.656 120.609 121.300 -0.058 0.000 3.330 491 W HA 0.185 4.845 4.660 -0.001 0.000 0.348 491 W C 0.898 177.394 176.519 -0.038 0.000 1.205 491 W CA -0.740 56.570 57.345 -0.058 0.000 1.841 491 W CB 0.487 29.918 29.460 -0.048 0.000 1.084 491 W HN 0.224 nan 8.180 nan 0.000 0.665 492 L N -2.398 118.885 121.223 0.101 0.000 2.230 492 L HA 0.193 4.533 4.340 -0.001 0.000 0.164 492 L C 1.675 178.565 176.870 0.032 0.000 1.237 492 L CA 0.743 55.635 54.840 0.086 0.000 1.030 492 L CB -0.777 41.358 42.059 0.128 0.000 2.103 492 L HN -0.254 nan 8.230 nan 0.000 0.490 493 V N 0.722 120.631 119.914 -0.007 0.000 2.343 493 V HA -0.235 3.885 4.120 -0.001 0.000 0.247 493 V C 2.440 178.511 176.094 -0.038 0.000 1.051 493 V CA 2.236 64.522 62.300 -0.024 0.000 1.036 493 V CB -0.581 31.194 31.823 -0.081 0.000 0.654 493 V HN 0.363 nan 8.190 nan 0.000 0.451 494 L N 0.373 121.547 121.223 -0.083 0.000 2.007 494 L HA -0.141 4.198 4.340 -0.001 0.000 0.205 494 L C 2.621 179.437 176.870 -0.090 0.000 1.073 494 L CA 2.418 57.194 54.840 -0.106 0.000 0.744 494 L CB -0.823 41.122 42.059 -0.190 0.000 0.898 494 L HN 0.644 nan 8.230 nan 0.000 0.435 495 C N -2.448 116.794 119.300 -0.097 0.000 2.495 495 C HA 0.151 4.611 4.460 -0.001 0.000 0.275 495 C C 1.323 176.302 174.990 -0.019 0.000 1.392 495 C CA -0.169 58.809 59.018 -0.067 0.000 1.766 495 C CB -0.802 26.903 27.740 -0.058 0.000 1.933 495 C HN 0.555 nan 8.230 nan 0.000 0.519 496 N N 1.082 119.781 118.700 -0.001 0.000 2.703 496 N HA 0.281 5.021 4.740 -0.001 0.000 0.283 496 N C -1.802 173.722 175.510 0.023 0.000 1.851 496 N CA -1.612 51.447 53.050 0.015 0.000 0.826 496 N CB 0.654 39.157 38.487 0.027 0.000 1.239 496 N HN 0.233 nan 8.380 nan 0.000 0.495 497 P HA -0.045 nan 4.420 nan 0.000 0.218 497 P C 1.421 178.738 177.300 0.029 0.000 1.149 497 P CA 0.930 64.043 63.100 0.023 0.000 0.817 497 P CB 0.181 31.887 31.700 0.011 0.000 0.785 498 G N 0.534 109.345 108.800 0.018 0.000 2.440 498 G HA2 -0.252 3.708 3.960 -0.001 0.000 0.218 498 G HA3 -0.252 3.708 3.960 -0.001 0.000 0.218 498 G C 1.510 176.417 174.900 0.013 0.000 1.154 498 G CA 0.653 45.760 45.100 0.012 0.000 0.767 498 G HN 0.247 nan 8.290 nan 0.000 0.552 499 L N 1.186 122.419 121.223 0.017 0.000 2.072 499 L HA 0.308 4.648 4.340 -0.001 0.000 0.205 499 L C 3.048 179.951 176.870 0.055 0.000 1.079 499 L CA 1.879 56.730 54.840 0.018 0.000 0.752 499 L CB -0.757 41.313 42.059 0.018 0.000 0.906 499 L HN 0.223 nan 8.230 nan 0.000 0.436 500 A N -0.775 122.099 122.820 0.090 0.000 1.940 500 A HA -0.252 4.068 4.320 -0.001 0.000 0.219 500 A C 2.242 179.926 177.584 0.166 0.000 1.176 500 A CA 1.824 53.966 52.037 0.176 0.000 0.631 500 A CB -0.616 18.480 19.000 0.160 0.000 0.814 500 A HN 0.528 nan 8.150 nan 0.000 0.446 501 E N 0.612 120.870 120.200 0.097 0.000 2.047 501 E HA -0.147 4.203 4.350 -0.001 0.000 0.191 501 E C 1.867 178.509 176.600 0.070 0.000 0.987 501 E CA 1.534 57.981 56.400 0.079 0.000 0.799 501 E CB -0.493 29.235 29.700 0.046 0.000 0.752 501 E HN 0.735 nan 8.360 nan 0.000 0.449 502 I N -1.614 118.992 120.570 0.059 0.000 2.361 502 I HA -0.153 4.017 4.170 -0.001 0.000 0.251 502 I C 2.126 178.321 176.117 0.129 0.000 1.133 502 I CA 1.117 62.467 61.300 0.083 0.000 1.413 502 I CB -0.390 37.641 38.000 0.052 0.000 1.073 502 I HN 0.020 nan 8.210 nan 0.000 0.424 503 I N 2.083 122.702 120.570 0.082 0.000 2.202 503 I HA -0.222 3.948 4.170 -0.001 0.000 0.242 503 I C 3.030 179.105 176.117 -0.070 0.000 1.091 503 I CA 1.460 62.722 61.300 -0.063 0.000 1.368 503 I CB -0.525 37.300 38.000 -0.292 0.000 1.058 503 I HN 0.310 nan 8.210 nan 0.000 0.410 504 A N 0.349 123.220 122.820 0.084 0.000 1.972 504 A HA -0.219 4.101 4.320 -0.001 0.000 0.219 504 A C 2.156 179.781 177.584 0.067 0.000 1.169 504 A CA 1.559 53.697 52.037 0.168 0.000 0.635 504 A CB -0.599 18.531 19.000 0.216 0.000 0.810 504 A HN 0.451 nan 8.150 nan 0.000 0.446 505 E N -0.709 119.510 120.200 0.032 0.000 2.209 505 E HA -0.190 4.160 4.350 -0.001 0.000 0.196 505 E C 2.128 178.703 176.600 -0.043 0.000 0.993 505 E CA 1.041 57.443 56.400 0.003 0.000 0.819 505 E CB -0.030 29.674 29.700 0.006 0.000 0.745 505 E HN 0.481 nan 8.360 nan 0.000 0.477 506 R N 0.000 120.432 120.500 -0.114 0.000 2.123 506 R HA 0.120 4.459 4.340 -0.001 0.000 0.209 506 R C 2.231 178.496 176.300 -0.058 0.000 1.078 506 R CA 0.737 56.722 56.100 -0.191 0.000 1.028 506 R CB -0.011 29.918 30.300 -0.617 0.000 0.939 506 R HN 0.291 nan 8.270 nan 0.000 0.463 507 I N -2.791 117.756 120.570 -0.038 0.000 4.081 507 I HA 0.431 4.600 4.170 -0.001 0.000 0.333 507 I C 0.428 176.601 176.117 0.093 0.000 1.413 507 I CA 0.002 61.319 61.300 0.030 0.000 1.110 507 I CB 0.802 38.805 38.000 0.005 0.000 1.082 507 I HN 0.163 nan 8.210 nan 0.000 0.402 508 G N 2.233 111.094 108.800 0.103 0.000 2.693 508 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.226 508 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.226 508 G C 0.027 175.060 174.900 0.220 0.000 1.354 508 G CA 0.323 45.499 45.100 0.127 0.000 0.873 508 G HN 0.507 nan 8.290 nan 0.000 0.562 509 E N -0.066 120.212 120.200 0.130 0.000 2.481 509 E HA 0.117 4.466 4.350 -0.001 0.000 0.198 509 E C 1.989 178.543 176.600 -0.078 0.000 1.027 509 E CA 0.342 56.757 56.400 0.025 0.000 0.900 509 E CB 0.325 30.035 29.700 0.015 0.000 0.993 509 E HN 0.648 nan 8.360 nan 0.000 0.482 510 E N 0.451 120.673 120.200 0.037 0.000 2.160 510 E HA -0.224 4.125 4.350 -0.001 0.000 0.195 510 E C 1.696 178.291 176.600 -0.008 0.000 0.991 510 E CA 1.228 57.642 56.400 0.023 0.000 0.810 510 E CB -0.224 29.512 29.700 0.061 0.000 0.742 510 E HN 0.494 nan 8.360 nan 0.000 0.466 511 Y N -0.330 119.979 120.300 0.015 0.000 2.315 511 Y HA -0.134 4.416 4.550 -0.001 0.000 0.288 511 Y C 1.797 177.683 175.900 -0.024 0.000 1.154 511 Y CA 0.708 58.810 58.100 0.003 0.000 1.229 511 Y CB -0.591 37.874 38.460 0.010 0.000 0.980 511 Y HN -0.059 nan 8.280 nan 0.000 0.540 512 I N 0.929 121.019 120.570 -0.800 0.000 2.423 512 I HA -0.229 3.941 4.170 -0.001 0.000 0.254 512 I C 1.330 177.213 176.117 -0.388 0.000 1.151 512 I CA 1.777 62.656 61.300 -0.702 0.000 1.421 512 I CB -0.376 37.129 38.000 -0.826 0.000 1.079 512 I HN 0.469 nan 8.210 nan 0.000 0.431 513 S N -1.756 113.817 115.700 -0.211 0.000 2.809 513 S HA 0.259 4.728 4.470 -0.001 0.000 0.248 513 S C -0.078 174.512 174.600 -0.016 0.000 1.071 513 S CA -0.588 57.561 58.200 -0.085 0.000 1.059 513 S CB 0.316 63.511 63.200 -0.008 0.000 0.923 513 S HN 0.272 nan 8.310 nan 0.000 0.516 514 D N 0.711 121.112 120.400 0.001 0.000 3.250 514 D HA 0.180 4.819 4.640 -0.001 0.000 0.252 514 D C 0.362 176.709 176.300 0.078 0.000 1.342 514 D CA -0.343 53.679 54.000 0.037 0.000 0.807 514 D CB 0.255 41.079 40.800 0.041 0.000 1.449 514 D HN 0.179 nan 8.370 nan 0.000 0.610 515 L N 0.890 122.160 121.223 0.077 0.000 2.265 515 L HA 0.023 4.363 4.340 -0.001 0.000 0.215 515 L C 1.424 178.350 176.870 0.093 0.000 1.117 515 L CA 1.568 56.483 54.840 0.124 0.000 0.782 515 L CB -0.042 42.084 42.059 0.111 0.000 0.914 515 L HN 0.214 nan 8.230 nan 0.000 0.441 516 D N -0.714 119.716 120.400 0.050 0.000 2.311 516 D HA -0.211 4.429 4.640 -0.001 0.000 0.212 516 D C 1.862 178.185 176.300 0.038 0.000 0.972 516 D CA 0.731 54.747 54.000 0.026 0.000 0.887 516 D CB 0.052 40.853 40.800 0.001 0.000 0.915 516 D HN 0.567 nan 8.370 nan 0.000 0.497 517 Q N 0.004 119.844 119.800 0.066 0.000 2.364 517 Q HA -0.047 4.293 4.340 -0.001 0.000 0.209 517 Q C 2.274 178.297 176.000 0.039 0.000 0.977 517 Q CA 0.247 56.091 55.803 0.068 0.000 0.885 517 Q CB 0.021 28.828 28.738 0.114 0.000 0.941 517 Q HN 0.400 nan 8.270 nan 0.000 0.464 518 L N 0.115 121.357 121.223 0.032 0.000 2.261 518 L HA -0.192 4.147 4.340 -0.001 0.000 0.216 518 L C 2.201 179.073 176.870 0.004 0.000 1.114 518 L CA 0.941 55.771 54.840 -0.017 0.000 0.777 518 L CB -0.336 41.726 42.059 0.006 0.000 0.910 518 L HN 0.196 nan 8.230 nan 0.000 0.440 519 R N 0.236 120.745 120.500 0.015 0.000 2.193 519 R HA -0.149 4.191 4.340 -0.001 0.000 0.229 519 R C 2.090 178.390 176.300 0.000 0.000 1.110 519 R CA 0.834 56.941 56.100 0.012 0.000 0.988 519 R CB -0.143 30.160 30.300 0.006 0.000 0.871 519 R HN 0.393 nan 8.270 nan 0.000 0.458 520 K N 0.620 121.019 120.400 -0.001 0.000 2.211 520 K HA -0.130 4.190 4.320 -0.001 0.000 0.204 520 K C 1.842 178.448 176.600 0.008 0.000 1.047 520 K CA 1.032 57.315 56.287 -0.007 0.000 0.935 520 K CB -0.123 32.385 32.500 0.013 0.000 0.728 520 K HN 0.209 nan 8.250 nan 0.000 0.452 521 L N 0.820 122.061 121.223 0.029 0.000 2.275 521 L HA -0.136 4.204 4.340 -0.001 0.000 0.215 521 L C 2.002 178.918 176.870 0.076 0.000 1.119 521 L CA 0.590 55.473 54.840 0.072 0.000 0.790 521 L CB -0.416 41.658 42.059 0.025 0.000 0.919 521 L HN 0.191 nan 8.230 nan 0.000 0.443 522 L N -0.863 120.373 121.223 0.022 0.000 2.261 522 L HA -0.190 4.149 4.340 -0.001 0.000 0.216 522 L C 2.404 179.240 176.870 -0.058 0.000 1.114 522 L CA 0.760 55.603 54.840 0.005 0.000 0.777 522 L CB -0.407 41.648 42.059 -0.006 0.000 0.910 522 L HN 0.187 nan 8.230 nan 0.000 0.440 523 S N -1.510 114.087 115.700 -0.171 0.000 2.555 523 S HA -0.063 4.407 4.470 -0.001 0.000 0.230 523 S C 0.935 175.238 174.600 -0.495 0.000 0.978 523 S CA 0.618 58.605 58.200 -0.355 0.000 0.934 523 S CB -0.123 62.783 63.200 -0.491 0.000 0.766 523 S HN 0.433 nan 8.310 nan 0.000 0.533 524 Y N -0.110 120.127 120.300 -0.104 0.000 2.636 524 Y HA 0.206 4.756 4.550 -0.001 0.000 0.260 524 Y C 1.752 177.685 175.900 0.055 0.000 1.177 524 Y CA -0.507 57.541 58.100 -0.086 0.000 1.209 524 Y CB -0.057 38.197 38.460 -0.343 0.000 1.166 524 Y HN 0.173 nan 8.280 nan 0.000 0.531 525 V N -2.809 117.185 119.914 0.134 0.000 2.720 525 V HA -0.162 3.958 4.120 -0.001 0.000 0.256 525 V C 0.659 176.817 176.094 0.106 0.000 1.082 525 V CA 1.926 64.302 62.300 0.127 0.000 1.101 525 V CB -0.028 31.833 31.823 0.063 0.000 0.693 525 V HN 0.250 nan 8.190 nan 0.000 0.479 526 D N -0.138 120.314 120.400 0.086 0.000 2.501 526 D HA 0.175 4.814 4.640 -0.001 0.000 0.224 526 D C 0.111 176.466 176.300 0.091 0.000 1.202 526 D CA 0.066 54.107 54.000 0.069 0.000 0.829 526 D CB 0.245 41.064 40.800 0.032 0.000 1.023 526 D HN 0.577 nan 8.370 nan 0.000 0.499 527 D N 1.756 122.249 120.400 0.154 0.000 2.316 527 D HA 0.003 4.642 4.640 -0.001 0.000 0.245 527 D C 1.086 177.487 176.300 0.167 0.000 1.171 527 D CA -0.097 54.013 54.000 0.184 0.000 0.856 527 D CB 1.441 42.432 40.800 0.318 0.000 1.090 527 D HN -0.148 nan 8.370 nan 0.000 0.476 528 E N 2.982 123.248 120.200 0.110 0.000 2.077 528 E HA -0.177 4.172 4.350 -0.001 0.000 0.193 528 E C 1.739 178.386 176.600 0.078 0.000 0.989 528 E CA 0.916 57.362 56.400 0.077 0.000 0.800 528 E CB -0.194 29.537 29.700 0.051 0.000 0.746 528 E HN 0.652 nan 8.360 nan 0.000 0.452 529 A N 0.671 123.548 122.820 0.095 0.000 1.898 529 A HA -0.157 4.163 4.320 -0.001 0.000 0.216 529 A C 2.069 179.716 177.584 0.106 0.000 1.181 529 A CA 1.089 53.175 52.037 0.082 0.000 0.620 529 A CB -0.713 18.333 19.000 0.078 0.000 0.819 529 A HN 0.227 nan 8.150 nan 0.000 0.442 530 F N 0.509 120.446 119.950 -0.022 0.000 2.146 530 F HA -0.082 4.445 4.527 -0.001 0.000 0.298 530 F C 1.979 177.767 175.800 -0.019 0.000 1.096 530 F CA 1.172 59.141 58.000 -0.052 0.000 1.275 530 F CB -0.272 38.681 39.000 -0.078 0.000 1.008 530 F HN 0.164 nan 8.300 nan 0.000 0.480 531 I N -0.044 120.550 120.570 0.040 0.000 2.163 531 I HA -0.352 3.818 4.170 -0.001 0.000 0.243 531 I C 2.735 178.798 176.117 -0.091 0.000 1.085 531 I CA 1.663 62.940 61.300 -0.039 0.000 1.347 531 I CB -0.551 37.469 38.000 0.033 0.000 1.044 531 I HN 0.073 nan 8.210 nan 0.000 0.408 532 R N 0.931 121.399 120.500 -0.053 0.000 2.083 532 R HA -0.220 4.119 4.340 -0.001 0.000 0.237 532 R C 1.827 178.067 176.300 -0.100 0.000 1.137 532 R CA 2.261 58.326 56.100 -0.058 0.000 0.951 532 R CB -0.244 30.040 30.300 -0.026 0.000 0.851 532 R HN 0.308 nan 8.270 nan 0.000 0.434 533 D N -0.146 120.170 120.400 -0.139 0.000 2.123 533 D HA -0.095 4.545 4.640 -0.001 0.000 0.200 533 D C 2.001 178.155 176.300 -0.243 0.000 0.976 533 D CA 0.980 54.881 54.000 -0.165 0.000 0.831 533 D CB -0.140 40.577 40.800 -0.139 0.000 0.974 533 D HN 0.082 nan 8.370 nan 0.000 0.469 534 V N 1.410 121.083 119.914 -0.401 0.000 2.332 534 V HA -0.249 3.871 4.120 -0.001 0.000 0.248 534 V C 2.481 178.471 176.094 -0.172 0.000 1.055 534 V CA 1.937 64.023 62.300 -0.357 0.000 1.038 534 V CB -0.723 30.825 31.823 -0.460 0.000 0.651 534 V HN 0.192 nan 8.190 nan 0.000 0.450 535 A N -0.423 122.318 122.820 -0.132 0.000 1.929 535 A HA -0.208 4.111 4.320 -0.001 0.000 0.216 535 A C 2.321 179.859 177.584 -0.076 0.000 1.176 535 A CA 1.872 53.863 52.037 -0.078 0.000 0.628 535 A CB -0.439 18.521 19.000 -0.067 0.000 0.816 535 A HN 0.544 nan 8.150 nan 0.000 0.444 536 K N -0.065 120.287 120.400 -0.081 0.000 2.032 536 K HA -0.128 4.191 4.320 -0.001 0.000 0.209 536 K C 1.774 178.340 176.600 -0.056 0.000 1.048 536 K CA 1.846 58.095 56.287 -0.063 0.000 0.927 536 K CB -0.330 32.135 32.500 -0.059 0.000 0.712 536 K HN 0.195 nan 8.250 nan 0.000 0.441 537 V N 1.643 121.517 119.914 -0.065 0.000 2.343 537 V HA -0.244 3.875 4.120 -0.001 0.000 0.247 537 V C 2.422 178.495 176.094 -0.035 0.000 1.051 537 V CA 2.105 64.376 62.300 -0.048 0.000 1.036 537 V CB -0.519 31.268 31.823 -0.058 0.000 0.654 537 V HN 0.388 nan 8.190 nan 0.000 0.451 538 K N 0.433 120.809 120.400 -0.041 0.000 2.057 538 K HA -0.229 4.090 4.320 -0.001 0.000 0.207 538 K C 2.147 178.715 176.600 -0.053 0.000 1.049 538 K CA 1.792 58.061 56.287 -0.030 0.000 0.931 538 K CB -0.467 32.026 32.500 -0.012 0.000 0.714 538 K HN 0.398 nan 8.250 nan 0.000 0.440 539 Q N 0.794 120.556 119.800 -0.064 0.000 2.079 539 Q HA -0.086 4.254 4.340 -0.001 0.000 0.200 539 Q C 1.675 177.652 176.000 -0.039 0.000 0.974 539 Q CA 1.925 57.682 55.803 -0.076 0.000 0.840 539 Q CB -0.016 28.679 28.738 -0.071 0.000 0.898 539 Q HN 0.498 nan 8.270 nan 0.000 0.430 540 E N -0.393 119.795 120.200 -0.020 0.000 2.085 540 E HA -0.187 4.162 4.350 -0.001 0.000 0.194 540 E C 1.713 178.331 176.600 0.030 0.000 0.994 540 E CA 1.141 57.544 56.400 0.004 0.000 0.801 540 E CB -0.084 29.616 29.700 0.001 0.000 0.743 540 E HN 0.398 nan 8.360 nan 0.000 0.453 541 N N 0.930 119.645 118.700 0.026 0.000 2.120 541 N HA -0.132 4.608 4.740 -0.001 0.000 0.188 541 N C 1.488 177.069 175.510 0.118 0.000 1.024 541 N CA 1.043 54.129 53.050 0.060 0.000 0.852 541 N CB -0.118 38.391 38.487 0.036 0.000 1.003 541 N HN 0.126 nan 8.380 nan 0.000 0.424 542 K N 0.629 121.066 120.400 0.062 0.000 2.057 542 K HA 0.006 4.326 4.320 -0.001 0.000 0.207 542 K C 2.080 178.805 176.600 0.209 0.000 1.049 542 K CA 0.692 57.042 56.287 0.105 0.000 0.931 542 K CB -0.180 32.140 32.500 -0.300 0.000 0.714 542 K HN 0.122 nan 8.250 nan 0.000 0.440 543 L N 1.073 122.359 121.223 0.105 0.000 2.046 543 L HA -0.205 4.134 4.340 -0.001 0.000 0.208 543 L C 2.611 179.563 176.870 0.136 0.000 1.077 543 L CA 1.321 56.224 54.840 0.105 0.000 0.747 543 L CB -0.357 41.736 42.059 0.057 0.000 0.896 543 L HN 0.177 nan 8.230 nan 0.000 0.432 544 K N -0.234 120.253 120.400 0.145 0.000 2.057 544 K HA -0.227 4.093 4.320 -0.001 0.000 0.207 544 K C 2.178 178.915 176.600 0.229 0.000 1.049 544 K CA 1.470 57.851 56.287 0.156 0.000 0.931 544 K CB -0.144 32.434 32.500 0.131 0.000 0.714 544 K HN 0.065 nan 8.250 nan 0.000 0.440 545 F N 1.217 121.254 119.950 0.144 0.000 2.146 545 F HA -0.065 4.461 4.527 -0.001 0.000 0.298 545 F C 2.008 177.935 175.800 0.212 0.000 1.096 545 F CA 1.221 59.327 58.000 0.177 0.000 1.275 545 F CB -0.519 38.584 39.000 0.171 0.000 1.008 545 F HN 0.083 nan 8.300 nan 0.000 0.480 546 A N 0.302 123.230 122.820 0.180 0.000 1.908 546 A HA -0.136 4.184 4.320 -0.001 0.000 0.218 546 A C 2.406 179.974 177.584 -0.027 0.000 1.181 546 A CA 1.989 54.047 52.037 0.035 0.000 0.627 546 A CB -1.537 17.526 19.000 0.105 0.000 0.818 546 A HN 0.467 nan 8.150 nan 0.000 0.445 547 A N -1.645 121.196 122.820 0.036 0.000 1.968 547 A HA -0.023 4.296 4.320 -0.001 0.000 0.217 547 A C 2.091 179.683 177.584 0.014 0.000 1.169 547 A CA 1.490 53.544 52.037 0.029 0.000 0.638 547 A CB -0.742 18.293 19.000 0.059 0.000 0.812 547 A HN 0.809 nan 8.150 nan 0.000 0.446 548 Y N 0.595 120.833 120.300 -0.104 0.000 2.145 548 Y HA -0.173 4.376 4.550 -0.001 0.000 0.286 548 Y C 1.858 177.677 175.900 -0.136 0.000 1.145 548 Y CA 1.935 59.963 58.100 -0.120 0.000 1.148 548 Y CB -0.300 38.078 38.460 -0.137 0.000 0.981 548 Y HN 0.194 nan 8.280 nan 0.000 0.507 549 L N 0.137 121.168 121.223 -0.320 0.000 2.083 549 L HA -0.170 4.170 4.340 -0.001 0.000 0.209 549 L C 2.503 179.274 176.870 -0.165 0.000 1.083 549 L CA 1.730 56.389 54.840 -0.301 0.000 0.752 549 L CB -0.561 41.333 42.059 -0.276 0.000 0.899 549 L HN 0.256 nan 8.230 nan 0.000 0.433 550 E N 0.699 120.824 120.200 -0.124 0.000 2.047 550 E HA -0.236 4.113 4.350 -0.001 0.000 0.191 550 E C 2.221 178.768 176.600 -0.089 0.000 0.987 550 E CA 1.332 57.696 56.400 -0.061 0.000 0.799 550 E CB -0.055 29.634 29.700 -0.017 0.000 0.752 550 E HN 0.193 nan 8.360 nan 0.000 0.449 551 R N -0.070 120.354 120.500 -0.127 0.000 2.070 551 R HA -0.115 4.224 4.340 -0.001 0.000 0.233 551 R C 1.792 177.959 176.300 -0.222 0.000 1.137 551 R CA 1.748 57.766 56.100 -0.137 0.000 0.945 551 R CB -0.057 30.178 30.300 -0.108 0.000 0.845 551 R HN 0.105 nan 8.270 nan 0.000 0.430 552 E N -0.992 118.977 120.200 -0.385 0.000 2.250 552 E HA -0.079 4.271 4.350 -0.001 0.000 0.192 552 E C 0.736 176.896 176.600 -0.734 0.000 0.986 552 E CA 0.948 56.992 56.400 -0.593 0.000 0.849 552 E CB 0.326 29.506 29.700 -0.867 0.000 0.797 552 E HN 0.500 nan 8.360 nan 0.000 0.482 553 Y N -0.228 119.935 120.300 -0.228 0.000 2.610 553 Y HA 0.279 4.829 4.550 -0.001 0.000 0.254 553 Y C 0.146 175.994 175.900 -0.086 0.000 1.110 553 Y CA -0.519 57.500 58.100 -0.134 0.000 1.238 553 Y CB 0.649 39.029 38.460 -0.135 0.000 1.322 553 Y HN -0.206 nan 8.280 nan 0.000 0.547 554 K N 0.731 121.143 120.400 0.019 0.000 3.035 554 K HA -0.152 4.168 4.320 -0.001 0.000 0.262 554 K C -0.818 175.811 176.600 0.049 0.000 1.024 554 K CA 0.403 56.704 56.287 0.022 0.000 0.748 554 K CB -1.530 30.980 32.500 0.017 0.000 1.247 554 K HN 0.025 nan 8.250 nan 0.000 0.482 555 V N 1.011 120.951 119.914 0.043 0.000 2.398 555 V HA 0.167 4.287 4.120 -0.001 0.000 0.286 555 V C 0.013 176.128 176.094 0.035 0.000 1.026 555 V CA -0.689 61.630 62.300 0.032 0.000 0.868 555 V CB 1.277 33.093 31.823 -0.011 0.000 0.982 555 V HN 0.290 nan 8.190 nan 0.000 0.443 556 H N 5.677 124.729 119.070 -0.030 0.000 2.489 556 H HA 0.713 5.268 4.556 -0.001 0.000 0.322 556 H C -0.343 174.967 175.328 -0.029 0.000 1.091 556 H CA -0.591 55.443 56.048 -0.022 0.000 1.291 556 H CB 1.165 30.920 29.762 -0.012 0.000 1.436 556 H HN 0.691 nan 8.280 nan 0.000 0.480 557 I N 1.835 122.129 120.570 -0.460 0.000 2.740 557 I HA 0.412 4.582 4.170 -0.001 0.000 0.303 557 I C -0.468 175.434 176.117 -0.357 0.000 1.044 557 I CA -1.401 59.724 61.300 -0.291 0.000 1.064 557 I CB 1.944 39.819 38.000 -0.209 0.000 1.249 557 I HN 0.508 nan 8.210 nan 0.000 0.433 558 N N 6.201 124.860 118.700 -0.069 0.000 2.431 558 N HA 0.225 4.964 4.740 -0.001 0.000 0.265 558 N C -1.624 173.968 175.510 0.136 0.000 1.184 558 N CA -2.199 50.880 53.050 0.049 0.000 0.943 558 N CB 0.870 39.413 38.487 0.093 0.000 1.080 558 N HN 0.488 nan 8.380 nan 0.000 0.477 559 P HA -0.008 nan 4.420 nan 0.000 0.225 559 P C -0.423 176.894 177.300 0.029 0.000 1.156 559 P CA 0.735 63.895 63.100 0.101 0.000 0.787 559 P CB 0.377 32.108 31.700 0.052 0.000 0.802 560 N N 0.648 119.378 118.700 0.050 0.000 2.994 560 N HA 0.105 4.845 4.740 -0.001 0.000 0.306 560 N C -0.052 175.490 175.510 0.054 0.000 1.348 560 N CA 0.135 53.205 53.050 0.034 0.000 1.109 560 N CB 0.008 38.520 38.487 0.042 0.000 1.415 560 N HN 0.215 nan 8.380 nan 0.000 0.529 561 S N -1.205 114.529 115.700 0.058 0.000 2.599 561 S HA 0.477 4.946 4.470 -0.001 0.000 0.287 561 S C -0.329 174.243 174.600 -0.046 0.000 1.105 561 S CA -0.993 57.228 58.200 0.036 0.000 0.899 561 S CB 1.918 65.176 63.200 0.096 0.000 1.100 561 S HN 0.248 nan 8.310 nan 0.000 0.482 562 L N 2.466 123.514 121.223 -0.292 0.000 2.418 562 L HA 0.373 4.712 4.340 -0.001 0.000 0.274 562 L C -1.186 175.676 176.870 -0.012 0.000 1.135 562 L CA -0.508 54.010 54.840 -0.537 0.000 0.870 562 L CB -0.219 41.228 42.059 -1.020 0.000 1.154 562 L HN 0.649 nan 8.230 nan 0.000 0.462 563 F N 3.796 123.630 119.950 -0.192 0.000 2.404 563 F HA 0.199 4.725 4.527 -0.001 0.000 0.359 563 F C 0.418 176.157 175.800 -0.102 0.000 1.134 563 F CA -1.019 56.920 58.000 -0.101 0.000 1.160 563 F CB 0.179 39.158 39.000 -0.034 0.000 1.186 563 F HN 0.425 nan 8.300 nan 0.000 0.526 564 D N 3.941 124.356 120.400 0.025 0.000 2.373 564 D HA 0.427 5.066 4.640 -0.001 0.000 0.227 564 D C -1.127 175.127 176.300 -0.076 0.000 1.091 564 D CA -0.167 53.803 54.000 -0.049 0.000 0.840 564 D CB 1.186 41.936 40.800 -0.083 0.000 1.060 564 D HN 0.161 nan 8.370 nan 0.000 0.502 565 V N 4.469 124.325 119.914 -0.098 0.000 2.483 565 V HA 0.371 4.490 4.120 -0.001 0.000 0.297 565 V C -0.218 175.750 176.094 -0.209 0.000 1.027 565 V CA -0.868 61.362 62.300 -0.115 0.000 0.855 565 V CB 1.640 33.478 31.823 0.025 0.000 0.995 565 V HN 0.527 nan 8.190 nan 0.000 0.424 566 Q N 3.874 123.556 119.800 -0.196 0.000 2.401 566 Q HA 0.646 4.986 4.340 -0.001 0.000 0.260 566 Q C -1.249 174.591 176.000 -0.267 0.000 1.034 566 Q CA -0.462 55.209 55.803 -0.220 0.000 0.737 566 Q CB 1.841 30.474 28.738 -0.175 0.000 1.227 566 Q HN 0.825 nan 8.270 nan 0.000 0.488 567 V N 1.564 121.312 119.914 -0.278 0.000 2.487 567 V HA 0.875 4.994 4.120 -0.001 0.000 0.298 567 V C -0.971 174.882 176.094 -0.402 0.000 1.028 567 V CA -0.558 61.397 62.300 -0.574 0.000 0.860 567 V CB 1.198 32.399 31.823 -1.037 0.000 0.991 567 V HN 0.828 nan 8.190 nan 0.000 0.427 568 K N 2.531 122.740 120.400 -0.319 0.000 3.040 568 K HA 0.413 4.733 4.320 -0.001 0.000 0.300 568 K C -1.244 175.382 176.600 0.042 0.000 1.092 568 K CA -1.205 55.075 56.287 -0.012 0.000 0.831 568 K CB 0.756 33.234 32.500 -0.036 0.000 1.469 568 K HN 0.457 nan 8.250 nan 0.000 0.365 569 R N 0.920 121.505 120.500 0.142 0.000 2.698 569 R HA 0.162 4.502 4.340 -0.001 0.000 0.266 569 R C 0.312 176.629 176.300 0.029 0.000 1.026 569 R CA -0.324 55.856 56.100 0.135 0.000 1.102 569 R CB -0.139 30.311 30.300 0.249 0.000 0.978 569 R HN 0.479 nan 8.270 nan 0.000 0.436 570 I N 4.840 125.348 120.570 -0.104 0.000 2.436 570 I HA 0.130 4.300 4.170 -0.001 0.000 0.289 570 I C 0.669 176.534 176.117 -0.419 0.000 1.083 570 I CA 0.536 61.717 61.300 -0.197 0.000 1.372 570 I CB -0.243 37.659 38.000 -0.164 0.000 1.408 570 I HN 0.293 nan 8.210 nan 0.000 0.516 571 H N 4.400 123.370 119.070 -0.168 0.000 3.046 571 H HA 0.218 4.774 4.556 -0.001 0.000 0.363 571 H C 0.444 175.654 175.328 -0.197 0.000 1.203 571 H CA -0.509 55.485 56.048 -0.090 0.000 1.169 571 H CB 1.980 31.660 29.762 -0.136 0.000 1.851 571 H HN 0.500 nan 8.280 nan 0.000 0.546 572 E N 1.050 121.282 120.200 0.053 0.000 2.118 572 E HA -0.216 4.133 4.350 -0.001 0.000 0.195 572 E C 1.491 177.792 176.600 -0.497 0.000 0.992 572 E CA 1.678 58.012 56.400 -0.111 0.000 0.804 572 E CB -0.012 29.768 29.700 0.134 0.000 0.741 572 E HN 0.576 nan 8.360 nan 0.000 0.458 573 Y N 0.700 120.466 120.300 -0.889 0.000 2.421 573 Y HA -0.040 4.509 4.550 -0.001 0.000 0.292 573 Y C 1.581 177.242 175.900 -0.399 0.000 1.136 573 Y CA 0.726 58.197 58.100 -1.048 0.000 1.255 573 Y CB 0.064 38.003 38.460 -0.869 0.000 0.991 573 Y HN -0.204 nan 8.280 nan 0.000 0.552 574 K N 1.023 120.988 120.400 -0.724 0.000 2.365 574 K HA 0.059 4.379 4.320 -0.001 0.000 0.197 574 K C 0.216 176.650 176.600 -0.276 0.000 1.042 574 K CA 0.594 56.566 56.287 -0.525 0.000 0.987 574 K CB -0.122 32.077 32.500 -0.502 0.000 0.779 574 K HN 0.450 nan 8.250 nan 0.000 0.484 575 R N 0.943 121.304 120.500 -0.230 0.000 3.336 575 R HA -0.197 4.143 4.340 -0.001 0.000 0.260 575 R C 0.494 176.716 176.300 -0.131 0.000 1.032 575 R CA 0.285 56.299 56.100 -0.144 0.000 0.693 575 R CB -2.026 28.206 30.300 -0.113 0.000 1.134 575 R HN 0.266 nan 8.270 nan 0.000 0.433 576 Q N 0.383 120.105 119.800 -0.131 0.000 2.248 576 Q HA -0.099 4.240 4.340 -0.001 0.000 0.208 576 Q C 2.046 178.001 176.000 -0.075 0.000 0.984 576 Q CA 1.598 57.341 55.803 -0.101 0.000 0.875 576 Q CB -0.021 28.659 28.738 -0.096 0.000 0.910 576 Q HN 0.590 nan 8.270 nan 0.000 0.433 577 L N -0.586 120.595 121.223 -0.070 0.000 2.083 577 L HA -0.171 4.168 4.340 -0.001 0.000 0.209 577 L C 2.047 178.925 176.870 0.013 0.000 1.083 577 L CA 0.535 55.350 54.840 -0.041 0.000 0.752 577 L CB -0.349 41.695 42.059 -0.026 0.000 0.899 577 L HN 0.317 nan 8.230 nan 0.000 0.433 578 L N 0.096 121.321 121.223 0.003 0.000 2.046 578 L HA -0.251 4.088 4.340 -0.001 0.000 0.208 578 L C 2.030 178.968 176.870 0.114 0.000 1.077 578 L CA 1.946 56.806 54.840 0.034 0.000 0.747 578 L CB -0.845 41.139 42.059 -0.126 0.000 0.896 578 L HN 0.278 nan 8.230 nan 0.000 0.432 579 N N -1.551 117.180 118.700 0.052 0.000 2.069 579 N HA -0.257 4.483 4.740 -0.001 0.000 0.191 579 N C 1.973 177.567 175.510 0.140 0.000 1.031 579 N CA 1.785 54.936 53.050 0.169 0.000 0.852 579 N CB -0.172 38.345 38.487 0.050 0.000 1.018 579 N HN 0.513 nan 8.380 nan 0.000 0.423 580 C N 0.680 120.000 119.300 0.034 0.000 2.385 580 C HA -0.142 4.317 4.460 -0.001 0.000 0.275 580 C C 2.634 177.630 174.990 0.011 0.000 1.207 580 C CA 0.565 59.560 59.018 -0.039 0.000 1.760 580 C CB -1.346 26.321 27.740 -0.121 0.000 2.051 580 C HN 0.505 nan 8.230 nan 0.000 0.467 581 L N -0.530 120.760 121.223 0.112 0.000 2.079 581 L HA -0.215 4.124 4.340 -0.001 0.000 0.210 581 L C 2.737 179.777 176.870 0.284 0.000 1.081 581 L CA 1.885 56.846 54.840 0.201 0.000 0.752 581 L CB -1.033 41.213 42.059 0.312 0.000 0.896 581 L HN 0.604 nan 8.230 nan 0.000 0.433 582 H N -0.132 119.052 119.070 0.190 0.000 2.357 582 H HA -0.122 4.433 4.556 -0.001 0.000 0.301 582 H C 2.255 177.582 175.328 -0.003 0.000 1.082 582 H CA 1.771 57.849 56.048 0.050 0.000 1.342 582 H CB 0.351 30.071 29.762 -0.069 0.000 1.389 582 H HN 0.097 nan 8.280 nan 0.000 0.511 583 V N 1.553 121.391 119.914 -0.127 0.000 2.332 583 V HA -0.280 3.839 4.120 -0.001 0.000 0.248 583 V C 2.766 178.804 176.094 -0.094 0.000 1.055 583 V CA 1.928 64.120 62.300 -0.180 0.000 1.038 583 V CB -0.505 31.255 31.823 -0.106 0.000 0.651 583 V HN 0.387 nan 8.190 nan 0.000 0.450 584 I N -0.230 120.325 120.570 -0.024 0.000 2.394 584 I HA -0.193 3.977 4.170 -0.001 0.000 0.251 584 I C 2.476 178.672 176.117 0.131 0.000 1.136 584 I CA 1.564 62.925 61.300 0.101 0.000 1.425 584 I CB -0.673 37.381 38.000 0.090 0.000 1.079 584 I HN 0.312 nan 8.210 nan 0.000 0.425 585 T N 1.509 116.094 114.554 0.053 0.000 2.708 585 T HA -0.134 4.215 4.350 -0.001 0.000 0.266 585 T C 1.974 176.640 174.700 -0.057 0.000 1.037 585 T CA 1.290 63.408 62.100 0.030 0.000 1.146 585 T CB -0.364 68.543 68.868 0.064 0.000 0.865 585 T HN 0.248 nan 8.240 nan 0.000 0.435 586 L N -0.335 120.781 121.223 -0.179 0.000 2.042 586 L HA -0.141 4.199 4.340 -0.001 0.000 0.210 586 L C 2.425 179.267 176.870 -0.047 0.000 1.076 586 L CA 1.710 56.447 54.840 -0.173 0.000 0.749 586 L CB -0.643 41.251 42.059 -0.275 0.000 0.893 586 L HN 0.285 nan 8.230 nan 0.000 0.432 587 Y N 1.385 121.636 120.300 -0.082 0.000 2.145 587 Y HA -0.246 4.304 4.550 -0.001 0.000 0.286 587 Y C 2.524 178.419 175.900 -0.008 0.000 1.145 587 Y CA 1.753 59.844 58.100 -0.015 0.000 1.148 587 Y CB -0.268 38.232 38.460 0.067 0.000 0.981 587 Y HN 0.191 nan 8.280 nan 0.000 0.507 588 N N 0.410 119.086 118.700 -0.040 0.000 2.166 588 N HA -0.143 4.597 4.740 -0.001 0.000 0.186 588 N C 1.901 177.311 175.510 -0.167 0.000 1.019 588 N CA 1.524 54.486 53.050 -0.147 0.000 0.856 588 N CB -0.379 38.094 38.487 -0.023 0.000 0.993 588 N HN 0.433 nan 8.380 nan 0.000 0.426 589 R N 0.398 120.828 120.500 -0.117 0.000 2.092 589 R HA 0.063 4.402 4.340 -0.001 0.000 0.231 589 R C 2.232 178.453 176.300 -0.131 0.000 1.119 589 R CA 0.740 56.775 56.100 -0.108 0.000 0.970 589 R CB -0.278 29.970 30.300 -0.088 0.000 0.864 589 R HN 0.238 nan 8.270 nan 0.000 0.440 590 I N 0.999 121.472 120.570 -0.161 0.000 2.179 590 I HA -0.290 3.879 4.170 -0.001 0.000 0.242 590 I C 2.073 178.079 176.117 -0.186 0.000 1.088 590 I CA 1.245 62.448 61.300 -0.163 0.000 1.357 590 I CB -0.160 37.746 38.000 -0.157 0.000 1.051 590 I HN 0.021 nan 8.210 nan 0.000 0.409 591 K N 1.069 121.297 120.400 -0.286 0.000 2.147 591 K HA -0.146 4.174 4.320 -0.001 0.000 0.205 591 K C 1.982 178.485 176.600 -0.162 0.000 1.049 591 K CA 1.324 57.455 56.287 -0.260 0.000 0.936 591 K CB -0.332 31.937 32.500 -0.384 0.000 0.722 591 K HN 0.369 nan 8.250 nan 0.000 0.446 592 K N 0.646 120.959 120.400 -0.145 0.000 2.155 592 K HA -0.052 4.267 4.320 -0.001 0.000 0.203 592 K C 0.298 176.853 176.600 -0.077 0.000 1.052 592 K CA 0.891 57.118 56.287 -0.100 0.000 0.948 592 K CB 0.203 32.649 32.500 -0.089 0.000 0.728 592 K HN 0.161 nan 8.250 nan 0.000 0.448 593 E N -0.178 119.975 120.200 -0.078 0.000 3.386 593 E HA 0.101 4.450 4.350 -0.001 0.000 0.236 593 E C -2.347 174.220 176.600 -0.055 0.000 1.227 593 E CA -1.379 54.987 56.400 -0.056 0.000 0.970 593 E CB 1.495 31.168 29.700 -0.045 0.000 1.343 593 E HN -0.032 nan 8.360 nan 0.000 0.397 594 P HA -0.161 nan 4.420 nan 0.000 0.218 594 P C 0.796 178.081 177.300 -0.024 0.000 1.148 594 P CA 1.028 64.099 63.100 -0.047 0.000 0.822 594 P CB 0.281 31.957 31.700 -0.040 0.000 0.784 595 N N -0.696 117.996 118.700 -0.012 0.000 2.494 595 N HA -0.064 4.676 4.740 -0.001 0.000 0.182 595 N C 0.733 176.259 175.510 0.028 0.000 1.076 595 N CA 0.533 53.588 53.050 0.009 0.000 0.908 595 N CB -0.234 38.258 38.487 0.007 0.000 0.967 595 N HN 0.279 nan 8.380 nan 0.000 0.449 596 K N 0.917 121.326 120.400 0.015 0.000 2.297 596 K HA 0.053 4.373 4.320 -0.001 0.000 0.286 596 K C -0.590 176.044 176.600 0.056 0.000 1.053 596 K CA -0.493 55.817 56.287 0.038 0.000 0.940 596 K CB 0.370 32.873 32.500 0.005 0.000 1.019 596 K HN -0.164 nan 8.250 nan 0.000 0.475 597 F N 5.714 125.652 119.950 -0.019 0.000 2.572 597 F HA 0.166 4.692 4.527 -0.001 0.000 0.370 597 F C -0.469 175.318 175.800 -0.021 0.000 1.103 597 F CA -0.039 57.951 58.000 -0.017 0.000 1.286 597 F CB 0.578 39.571 39.000 -0.012 0.000 1.105 597 F HN 0.230 nan 8.300 nan 0.000 0.583 598 V N 4.389 123.701 119.914 -1.005 0.000 2.876 598 V HA 0.542 4.662 4.120 -0.001 0.000 0.312 598 V C -0.717 174.679 176.094 -1.164 0.000 1.085 598 V CA -1.231 60.568 62.300 -0.834 0.000 0.945 598 V CB 1.031 32.617 31.823 -0.394 0.000 1.017 598 V HN 0.615 nan 8.190 nan 0.000 0.428 599 V N 4.828 124.356 119.914 -0.644 0.000 2.493 599 V HA 0.178 4.298 4.120 -0.001 0.000 0.292 599 V C -1.825 174.091 176.094 -0.297 0.000 1.016 599 V CA -0.394 61.704 62.300 -0.336 0.000 1.097 599 V CB 0.285 32.038 31.823 -0.116 0.000 0.947 599 V HN 0.901 nan 8.190 nan 0.000 0.479 600 P HA 0.275 nan 4.420 nan 0.000 0.268 600 P C -0.365 176.839 177.300 -0.160 0.000 1.204 600 P CA 0.072 63.081 63.100 -0.152 0.000 0.768 600 P CB 0.497 32.162 31.700 -0.060 0.000 0.842 601 R N 1.181 121.599 120.500 -0.135 0.000 2.750 601 R HA 0.549 4.888 4.340 -0.001 0.000 0.281 601 R C -0.691 175.568 176.300 -0.069 0.000 0.972 601 R CA -0.669 55.357 56.100 -0.124 0.000 0.912 601 R CB 1.837 32.046 30.300 -0.152 0.000 1.187 601 R HN 0.288 nan 8.270 nan 0.000 0.464 602 T N 2.034 116.565 114.554 -0.039 0.000 2.801 602 T HA 0.230 4.579 4.350 -0.001 0.000 0.306 602 T C -0.188 174.435 174.700 -0.129 0.000 1.020 602 T CA -0.474 61.563 62.100 -0.106 0.000 0.948 602 T CB 1.043 69.779 68.868 -0.220 0.000 0.962 602 T HN 0.139 nan 8.240 nan 0.000 0.465 603 V N 6.034 125.878 119.914 -0.116 0.000 2.385 603 V HA 0.405 4.524 4.120 -0.001 0.000 0.269 603 V C 0.107 176.127 176.094 -0.122 0.000 1.043 603 V CA -0.365 61.871 62.300 -0.107 0.000 0.906 603 V CB 0.636 32.407 31.823 -0.087 0.000 0.995 603 V HN 0.852 nan 8.190 nan 0.000 0.467 604 M N 6.783 126.301 119.600 -0.138 0.000 2.243 604 M HA 0.622 5.101 4.480 -0.001 0.000 0.324 604 M C -1.012 175.176 176.300 -0.187 0.000 1.031 604 M CA -0.195 55.010 55.300 -0.159 0.000 0.949 604 M CB 2.016 34.517 32.600 -0.166 0.000 1.615 604 M HN 0.412 nan 8.290 nan 0.000 0.430 605 I N 1.675 122.105 120.570 -0.233 0.000 2.545 605 I HA 0.877 5.046 4.170 -0.001 0.000 0.292 605 I C 0.062 175.782 176.117 -0.662 0.000 1.040 605 I CA -0.708 60.409 61.300 -0.305 0.000 1.068 605 I CB 2.396 40.309 38.000 -0.144 0.000 1.251 605 I HN 0.809 nan 8.210 nan 0.000 0.424 606 G N 2.728 111.119 108.800 -0.681 0.000 2.704 606 G HA2 0.811 4.771 3.960 -0.001 0.000 0.293 606 G HA3 0.811 4.771 3.960 -0.001 0.000 0.293 606 G C -1.040 173.558 174.900 -0.503 0.000 1.421 606 G CA -0.587 43.961 45.100 -0.920 0.000 0.870 606 G HN 1.024 nan 8.290 nan 0.000 0.492 607 G N -0.438 108.239 108.800 -0.205 0.000 2.350 607 G HA2 0.419 4.378 3.960 -0.001 0.000 0.305 607 G HA3 0.419 4.378 3.960 -0.001 0.000 0.305 607 G C -1.360 173.674 174.900 0.223 0.000 1.479 607 G CA -1.042 44.110 45.100 0.085 0.000 0.949 607 G HN 0.611 nan 8.290 nan 0.000 0.651 608 K N -0.149 120.362 120.400 0.185 0.000 2.110 608 K HA 0.740 5.060 4.320 -0.001 0.000 0.263 608 K C 0.254 176.951 176.600 0.162 0.000 0.975 608 K CA -0.170 56.234 56.287 0.194 0.000 0.895 608 K CB 2.034 34.540 32.500 0.010 0.000 1.060 608 K HN 0.866 nan 8.250 nan 0.000 0.448 609 A N 1.425 124.373 122.820 0.213 0.000 2.312 609 A HA 0.628 4.948 4.320 -0.001 0.000 0.326 609 A C -0.431 177.286 177.584 0.222 0.000 1.172 609 A CA -0.729 51.360 52.037 0.086 0.000 0.821 609 A CB 0.969 19.951 19.000 -0.030 0.000 1.166 609 A HN 0.777 nan 8.150 nan 0.000 0.493 610 A N 3.597 126.534 122.820 0.196 0.000 2.520 610 A HA 0.470 4.789 4.320 -0.001 0.000 0.245 610 A C -1.347 176.308 177.584 0.118 0.000 1.072 610 A CA -0.849 51.321 52.037 0.222 0.000 0.761 610 A CB -0.389 18.745 19.000 0.222 0.000 1.004 610 A HN 0.601 nan 8.150 nan 0.000 0.499 611 P HA -0.186 nan 4.420 nan 0.000 0.218 611 P C 1.381 178.670 177.300 -0.018 0.000 1.152 611 P CA 2.131 65.168 63.100 -0.105 0.000 0.857 611 P CB 0.183 31.770 31.700 -0.188 0.000 0.787 612 G N -3.305 105.510 108.800 0.024 0.000 3.042 612 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.212 612 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.212 612 G C -0.181 174.766 174.900 0.077 0.000 1.166 612 G CA 0.003 45.121 45.100 0.029 0.000 0.767 612 G HN 0.184 nan 8.290 nan 0.000 0.546 613 Y N 1.966 122.232 120.300 -0.057 0.000 2.751 613 Y HA 0.251 4.800 4.550 -0.001 0.000 0.333 613 Y C 1.344 177.248 175.900 0.007 0.000 1.122 613 Y CA -2.073 55.986 58.100 -0.068 0.000 1.367 613 Y CB -0.669 37.729 38.460 -0.103 0.000 1.242 613 Y HN 0.371 nan 8.280 nan 0.000 0.505 614 H N 3.599 122.787 119.070 0.198 0.000 2.319 614 H HA -0.223 4.333 4.556 -0.001 0.000 0.297 614 H C 1.634 177.007 175.328 0.074 0.000 1.097 614 H CA 2.357 58.469 56.048 0.107 0.000 1.285 614 H CB 0.397 30.213 29.762 0.089 0.000 1.368 614 H HN 0.620 nan 8.280 nan 0.000 0.495 615 M N 0.942 120.556 119.600 0.023 0.000 2.117 615 M HA -0.054 4.426 4.480 -0.001 0.000 0.262 615 M C 2.558 178.661 176.300 -0.329 0.000 1.065 615 M CA 1.816 57.045 55.300 -0.119 0.000 1.114 615 M CB -0.645 32.018 32.600 0.104 0.000 1.361 615 M HN 0.325 nan 8.290 nan 0.000 0.408 616 A N -0.273 122.134 122.820 -0.688 0.000 1.933 616 A HA -0.196 4.123 4.320 -0.001 0.000 0.218 616 A C 2.199 179.573 177.584 -0.351 0.000 1.175 616 A CA 1.914 53.520 52.037 -0.718 0.000 0.628 616 A CB -0.658 17.628 19.000 -1.190 0.000 0.814 616 A HN 0.587 nan 8.150 nan 0.000 0.444 617 K N -1.136 119.119 120.400 -0.241 0.000 2.097 617 K HA -0.064 4.255 4.320 -0.001 0.000 0.205 617 K C 1.984 178.536 176.600 -0.079 0.000 1.050 617 K CA 1.340 57.573 56.287 -0.090 0.000 0.938 617 K CB -0.228 32.287 32.500 0.024 0.000 0.718 617 K HN 0.343 nan 8.250 nan 0.000 0.442 618 M N 0.530 120.040 119.600 -0.150 0.000 2.175 618 M HA -0.098 4.382 4.480 -0.001 0.000 0.264 618 M C 2.119 178.344 176.300 -0.125 0.000 1.063 618 M CA 1.443 56.682 55.300 -0.102 0.000 1.119 618 M CB -0.668 31.852 32.600 -0.132 0.000 1.377 618 M HN 0.134 nan 8.290 nan 0.000 0.415 619 I N -0.145 120.319 120.570 -0.176 0.000 2.252 619 I HA -0.291 3.879 4.170 -0.001 0.000 0.245 619 I C 2.274 178.259 176.117 -0.220 0.000 1.102 619 I CA 0.999 62.185 61.300 -0.190 0.000 1.385 619 I CB -0.312 37.578 38.000 -0.183 0.000 1.064 619 I HN 0.172 nan 8.210 nan 0.000 0.414 620 I N 0.712 121.130 120.570 -0.252 0.000 2.208 620 I HA -0.310 3.860 4.170 -0.001 0.000 0.245 620 I C 2.593 178.434 176.117 -0.461 0.000 1.097 620 I CA 1.295 62.352 61.300 -0.405 0.000 1.363 620 I CB -0.376 37.332 38.000 -0.488 0.000 1.051 620 I HN 0.162 nan 8.210 nan 0.000 0.413 621 K N 1.380 121.510 120.400 -0.450 0.000 2.097 621 K HA -0.194 4.126 4.320 -0.001 0.000 0.206 621 K C 1.969 178.389 176.600 -0.300 0.000 1.049 621 K CA 1.396 57.333 56.287 -0.584 0.000 0.933 621 K CB -0.540 31.291 32.500 -1.115 0.000 0.717 621 K HN 0.110 nan 8.250 nan 0.000 0.442 622 L N 0.882 121.952 121.223 -0.256 0.000 2.012 622 L HA -0.079 4.260 4.340 -0.001 0.000 0.210 622 L C 1.968 178.604 176.870 -0.390 0.000 1.073 622 L CA 1.699 56.240 54.840 -0.498 0.000 0.748 622 L CB -0.524 41.155 42.059 -0.633 0.000 0.891 622 L HN 0.296 nan 8.230 nan 0.000 0.431 623 I N -0.660 119.738 120.570 -0.286 0.000 2.163 623 I HA -0.352 3.817 4.170 -0.001 0.000 0.243 623 I C 2.445 178.464 176.117 -0.164 0.000 1.085 623 I CA 1.931 63.118 61.300 -0.187 0.000 1.347 623 I CB -0.889 37.091 38.000 -0.033 0.000 1.044 623 I HN 0.491 nan 8.210 nan 0.000 0.408 624 T N -0.896 113.540 114.554 -0.195 0.000 2.821 624 T HA -0.058 4.292 4.350 -0.001 0.000 0.267 624 T C 1.964 176.595 174.700 -0.115 0.000 1.046 624 T CA 0.926 62.938 62.100 -0.148 0.000 1.139 624 T CB -0.454 68.290 68.868 -0.207 0.000 0.871 624 T HN 0.345 nan 8.240 nan 0.000 0.454 625 A N 1.422 124.165 122.820 -0.128 0.000 1.930 625 A HA 0.173 4.493 4.320 -0.001 0.000 0.217 625 A C 2.358 179.932 177.584 -0.017 0.000 1.175 625 A CA 1.119 53.140 52.037 -0.027 0.000 0.627 625 A CB -0.795 18.276 19.000 0.118 0.000 0.815 625 A HN 0.578 nan 8.150 nan 0.000 0.443 626 I N -0.185 120.267 120.570 -0.196 0.000 2.163 626 I HA -0.229 3.941 4.170 -0.001 0.000 0.243 626 I C 2.739 178.804 176.117 -0.085 0.000 1.085 626 I CA 1.251 62.401 61.300 -0.250 0.000 1.347 626 I CB -0.678 37.064 38.000 -0.431 0.000 1.044 626 I HN 0.388 nan 8.210 nan 0.000 0.408 627 G N 0.405 109.155 108.800 -0.084 0.000 2.469 627 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.220 627 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.220 627 G C 1.257 176.176 174.900 0.032 0.000 1.136 627 G CA 1.102 46.176 45.100 -0.042 0.000 0.759 627 G HN 0.315 nan 8.290 nan 0.000 0.562 628 D N -0.013 120.420 120.400 0.056 0.000 2.178 628 D HA -0.069 4.570 4.640 -0.001 0.000 0.201 628 D C 2.662 179.037 176.300 0.126 0.000 0.980 628 D CA 0.668 54.737 54.000 0.116 0.000 0.842 628 D CB -0.054 40.756 40.800 0.016 0.000 0.948 628 D HN 0.285 nan 8.370 nan 0.000 0.472 629 V N 0.235 120.166 119.914 0.029 0.000 2.341 629 V HA -0.127 3.993 4.120 -0.001 0.000 0.240 629 V C 2.640 178.689 176.094 -0.074 0.000 1.035 629 V CA 0.647 62.901 62.300 -0.076 0.000 1.033 629 V CB -0.390 31.295 31.823 -0.230 0.000 0.678 629 V HN 0.001 nan 8.190 nan 0.000 0.464 630 V N 1.182 121.001 119.914 -0.159 0.000 2.287 630 V HA -0.239 3.881 4.120 -0.001 0.000 0.248 630 V C 2.116 178.186 176.094 -0.040 0.000 1.053 630 V CA 2.199 64.401 62.300 -0.162 0.000 1.027 630 V CB -0.890 30.842 31.823 -0.152 0.000 0.646 630 V HN 0.579 nan 8.190 nan 0.000 0.447 631 N N -0.534 118.110 118.700 -0.092 0.000 2.550 631 N HA -0.069 4.670 4.740 -0.001 0.000 0.186 631 N C 1.081 176.331 175.510 -0.433 0.000 1.110 631 N CA 0.785 53.688 53.050 -0.246 0.000 0.912 631 N CB -0.235 38.050 38.487 -0.337 0.000 0.968 631 N HN 0.693 nan 8.380 nan 0.000 0.448 632 H N -1.697 117.373 119.070 -0.000 0.000 2.923 632 H HA 0.204 4.759 4.556 -0.001 0.000 0.268 632 H C -0.557 174.787 175.328 0.026 0.000 1.148 632 H CA -0.531 55.520 56.048 0.005 0.000 1.146 632 H CB 0.644 30.398 29.762 -0.013 0.000 1.607 632 H HN -0.022 nan 8.280 nan 0.000 0.566 633 D N 2.531 123.011 120.400 0.135 0.000 2.325 633 D HA 0.029 4.668 4.640 -0.001 0.000 0.251 633 D C -1.452 174.909 176.300 0.103 0.000 1.196 633 D CA -2.053 52.039 54.000 0.153 0.000 0.866 633 D CB 1.692 42.662 40.800 0.284 0.000 1.101 633 D HN 0.149 nan 8.370 nan 0.000 0.476 634 P HA -0.092 nan 4.420 nan 0.000 0.226 634 P C 1.498 178.820 177.300 0.038 0.000 1.153 634 P CA 0.252 63.381 63.100 0.048 0.000 0.777 634 P CB 0.532 32.256 31.700 0.040 0.000 0.794 635 V N -0.112 119.827 119.914 0.042 0.000 2.515 635 V HA -0.149 3.971 4.120 -0.001 0.000 0.250 635 V C 2.687 178.790 176.094 0.014 0.000 1.058 635 V CA 1.449 63.760 62.300 0.017 0.000 1.064 635 V CB -0.808 31.014 31.823 -0.003 0.000 0.675 635 V HN -0.027 nan 8.190 nan 0.000 0.461 636 V N -0.324 119.617 119.914 0.044 0.000 2.379 636 V HA 0.196 4.316 4.120 -0.001 0.000 0.243 636 V C 1.933 178.041 176.094 0.024 0.000 1.035 636 V CA 1.406 63.733 62.300 0.043 0.000 1.035 636 V CB -1.148 30.748 31.823 0.122 0.000 0.673 636 V HN 0.667 nan 8.190 nan 0.000 0.457 637 G N 1.914 110.731 108.800 0.028 0.000 2.651 637 G HA2 -0.425 3.534 3.960 -0.001 0.000 0.315 637 G HA3 -0.425 3.534 3.960 -0.001 0.000 0.315 637 G C 0.452 175.355 174.900 0.006 0.000 1.258 637 G CA 0.701 45.808 45.100 0.012 0.000 1.002 637 G HN 0.699 nan 8.290 nan 0.000 0.551 638 D N 0.610 121.017 120.400 0.012 0.000 2.325 638 D HA 0.161 4.800 4.640 -0.001 0.000 0.225 638 D C 1.953 178.255 176.300 0.003 0.000 1.096 638 D CA 0.283 54.295 54.000 0.020 0.000 0.844 638 D CB -0.165 40.666 40.800 0.051 0.000 0.925 638 D HN 0.615 nan 8.370 nan 0.000 0.513 639 R N -0.762 119.729 120.500 -0.016 0.000 2.193 639 R HA 0.206 4.546 4.340 -0.001 0.000 0.213 639 R C 0.001 176.261 176.300 -0.067 0.000 1.055 639 R CA 0.352 56.419 56.100 -0.055 0.000 0.995 639 R CB 0.150 30.405 30.300 -0.075 0.000 0.893 639 R HN 0.134 nan 8.270 nan 0.000 0.459 640 L N 0.249 121.449 121.223 -0.037 0.000 2.543 640 L HA 0.381 4.720 4.340 -0.001 0.000 0.265 640 L C -1.576 175.274 176.870 -0.034 0.000 0.945 640 L CA -0.468 54.346 54.840 -0.043 0.000 0.869 640 L CB 1.824 43.868 42.059 -0.025 0.000 1.294 640 L HN -0.136 nan 8.230 nan 0.000 0.405 641 R N 3.245 123.712 120.500 -0.055 0.000 2.673 641 R HA 0.819 5.159 4.340 -0.001 0.000 0.281 641 R C -1.837 174.414 176.300 -0.081 0.000 0.991 641 R CA -0.980 55.080 56.100 -0.067 0.000 0.896 641 R CB 2.765 33.026 30.300 -0.065 0.000 1.201 641 R HN 0.427 nan 8.270 nan 0.000 0.457 642 V N 5.111 124.976 119.914 -0.082 0.000 2.531 642 V HA 0.643 4.763 4.120 -0.001 0.000 0.301 642 V C -0.706 175.348 176.094 -0.066 0.000 1.034 642 V CA -0.627 61.624 62.300 -0.082 0.000 0.865 642 V CB 1.597 33.368 31.823 -0.086 0.000 0.995 642 V HN 0.724 nan 8.190 nan 0.000 0.424 643 I N 4.321 124.852 120.570 -0.065 0.000 2.647 643 I HA 0.605 4.775 4.170 -0.001 0.000 0.295 643 I C -1.973 174.135 176.117 -0.014 0.000 1.078 643 I CA -0.790 60.486 61.300 -0.041 0.000 1.048 643 I CB 2.207 40.162 38.000 -0.075 0.000 1.239 643 I HN 0.656 nan 8.210 nan 0.000 0.421 644 F N 7.233 127.121 119.950 -0.104 0.000 2.391 644 F HA 0.518 5.044 4.527 -0.001 0.000 0.359 644 F C -0.646 175.098 175.800 -0.094 0.000 1.122 644 F CA -0.604 57.338 58.000 -0.097 0.000 1.120 644 F CB 1.072 40.015 39.000 -0.094 0.000 1.142 644 F HN 0.383 nan 8.300 nan 0.000 0.483 645 L N 6.033 126.966 121.223 -0.483 0.000 2.325 645 L HA 0.206 4.546 4.340 -0.001 0.000 0.284 645 L C 0.344 177.094 176.870 -0.200 0.000 1.089 645 L CA -0.202 54.479 54.840 -0.265 0.000 0.836 645 L CB 0.586 42.543 42.059 -0.171 0.000 1.184 645 L HN 0.629 nan 8.230 nan 0.000 0.444 646 E N 4.223 124.408 120.200 -0.026 0.000 2.360 646 E HA -0.060 4.290 4.350 -0.001 0.000 0.269 646 E C 0.355 177.065 176.600 0.184 0.000 1.022 646 E CA -0.301 56.186 56.400 0.146 0.000 0.887 646 E CB 0.419 30.165 29.700 0.076 0.000 0.990 646 E HN 0.586 nan 8.360 nan 0.000 0.426 647 N N 2.677 121.513 118.700 0.228 0.000 2.758 647 N HA -0.270 4.469 4.740 -0.001 0.000 0.248 647 N C -1.552 174.058 175.510 0.166 0.000 1.076 647 N CA 0.507 53.671 53.050 0.190 0.000 0.696 647 N CB -1.731 36.877 38.487 0.202 0.000 0.979 647 N HN 0.522 nan 8.380 nan 0.000 0.550 648 Y N 1.652 121.972 120.300 0.032 0.000 2.721 648 Y HA 0.145 4.694 4.550 -0.001 0.000 0.329 648 Y C 1.159 177.075 175.900 0.025 0.000 1.211 648 Y CA 0.850 58.952 58.100 0.004 0.000 1.512 648 Y CB 0.300 38.733 38.460 -0.045 0.000 1.249 648 Y HN 0.375 nan 8.280 nan 0.000 0.549 649 R N 2.328 122.477 120.500 -0.584 0.000 2.741 649 R HA 0.403 4.742 4.340 -0.001 0.000 0.274 649 R C -0.597 175.382 176.300 -0.534 0.000 1.029 649 R CA -0.578 55.270 56.100 -0.421 0.000 0.880 649 R CB 0.262 30.486 30.300 -0.126 0.000 1.264 649 R HN 0.350 nan 8.270 nan 0.000 0.465 650 V N 1.110 120.747 119.914 -0.461 0.000 2.287 650 V HA -0.289 3.831 4.120 -0.001 0.000 0.248 650 V C 2.571 178.541 176.094 -0.206 0.000 1.053 650 V CA 2.835 64.926 62.300 -0.350 0.000 1.027 650 V CB -0.819 30.780 31.823 -0.374 0.000 0.646 650 V HN 0.918 nan 8.190 nan 0.000 0.447 651 S N 0.161 115.756 115.700 -0.175 0.000 2.382 651 S HA -0.186 4.283 4.470 -0.001 0.000 0.228 651 S C 1.938 176.478 174.600 -0.101 0.000 1.027 651 S CA 1.642 59.766 58.200 -0.127 0.000 0.991 651 S CB -0.584 62.568 63.200 -0.080 0.000 0.823 651 S HN 0.389 nan 8.310 nan 0.000 0.469 652 L N 2.056 123.224 121.223 -0.092 0.000 2.093 652 L HA 0.265 4.605 4.340 -0.001 0.000 0.208 652 L C 2.676 179.554 176.870 0.012 0.000 1.085 652 L CA 1.433 56.253 54.840 -0.034 0.000 0.755 652 L CB -1.287 40.809 42.059 0.062 0.000 0.904 652 L HN 0.358 nan 8.230 nan 0.000 0.435 653 A N -0.754 122.060 122.820 -0.010 0.000 1.902 653 A HA -0.233 4.087 4.320 -0.001 0.000 0.217 653 A C 2.139 179.791 177.584 0.115 0.000 1.181 653 A CA 1.785 53.898 52.037 0.127 0.000 0.623 653 A CB -0.611 18.454 19.000 0.109 0.000 0.818 653 A HN 0.593 nan 8.150 nan 0.000 0.443 654 E N -0.290 119.962 120.200 0.087 0.000 2.204 654 E HA -0.188 4.162 4.350 -0.001 0.000 0.195 654 E C 1.947 178.526 176.600 -0.035 0.000 0.990 654 E CA 1.287 57.691 56.400 0.006 0.000 0.821 654 E CB -0.084 29.527 29.700 -0.149 0.000 0.750 654 E HN 0.622 nan 8.360 nan 0.000 0.477 655 K N 0.134 120.500 120.400 -0.056 0.000 2.067 655 K HA -0.006 4.314 4.320 -0.001 0.000 0.203 655 K C 2.196 178.700 176.600 -0.161 0.000 1.048 655 K CA 0.636 56.893 56.287 -0.050 0.000 0.954 655 K CB -0.056 32.402 32.500 -0.070 0.000 0.737 655 K HN -0.026 nan 8.250 nan 0.000 0.444 656 V N 1.725 121.442 119.914 -0.328 0.000 2.535 656 V HA -0.096 4.024 4.120 -0.001 0.000 0.246 656 V C 1.903 177.753 176.094 -0.406 0.000 1.045 656 V CA 1.036 62.899 62.300 -0.729 0.000 1.058 656 V CB -0.123 31.257 31.823 -0.738 0.000 0.689 656 V HN 0.236 nan 8.190 nan 0.000 0.461 657 I N 0.878 121.256 120.570 -0.320 0.000 2.179 657 I HA -0.124 4.045 4.170 -0.001 0.000 0.242 657 I C -0.284 175.693 176.117 -0.232 0.000 1.088 657 I CA 1.586 62.609 61.300 -0.460 0.000 1.357 657 I CB -1.501 36.115 38.000 -0.641 0.000 1.051 657 I HN 0.370 nan 8.210 nan 0.000 0.409 658 P HA -0.115 nan 4.420 nan 0.000 0.225 658 P C 0.946 178.239 177.300 -0.012 0.000 1.148 658 P CA 1.179 64.252 63.100 -0.045 0.000 0.779 658 P CB 0.015 31.704 31.700 -0.019 0.000 0.780 659 A N -1.105 121.698 122.820 -0.028 0.000 2.238 659 A HA 0.465 4.784 4.320 -0.001 0.000 0.210 659 A C 1.201 178.868 177.584 0.137 0.000 1.179 659 A CA 0.136 52.208 52.037 0.058 0.000 0.827 659 A CB -0.642 18.421 19.000 0.104 0.000 0.856 659 A HN 0.204 nan 8.150 nan 0.000 0.488 660 A N 0.033 122.932 122.820 0.132 0.000 2.354 660 A HA 0.460 4.780 4.320 -0.001 0.000 0.269 660 A C 0.372 178.095 177.584 0.231 0.000 1.109 660 A CA -0.166 52.016 52.037 0.242 0.000 0.800 660 A CB 0.330 19.574 19.000 0.407 0.000 1.045 660 A HN 0.286 nan 8.150 nan 0.000 0.489 661 D N 0.403 120.940 120.400 0.229 0.000 2.338 661 D HA 0.084 4.724 4.640 -0.001 0.000 0.224 661 D C -0.150 176.366 176.300 0.359 0.000 0.967 661 D CA 0.912 55.097 54.000 0.309 0.000 0.896 661 D CB 0.191 41.099 40.800 0.180 0.000 1.028 661 D HN 0.354 nan 8.370 nan 0.000 0.493 662 L N 0.588 121.916 121.223 0.175 0.000 2.356 662 L HA 0.335 4.674 4.340 -0.001 0.000 0.277 662 L C -0.685 176.095 176.870 -0.150 0.000 0.996 662 L CA -0.529 54.343 54.840 0.054 0.000 0.822 662 L CB 2.081 44.143 42.059 0.005 0.000 1.256 662 L HN -0.294 nan 8.230 nan 0.000 0.413 663 S N 4.181 119.705 115.700 -0.294 0.000 2.422 663 S HA 0.418 4.887 4.470 -0.001 0.000 0.298 663 S C -0.527 173.808 174.600 -0.443 0.000 1.118 663 S CA -0.633 57.131 58.200 -0.727 0.000 1.083 663 S CB 0.245 62.969 63.200 -0.793 0.000 0.971 663 S HN 0.614 nan 8.310 nan 0.000 0.478 664 E N 4.101 124.045 120.200 -0.427 0.000 2.089 664 E HA 0.206 4.556 4.350 -0.001 0.000 0.284 664 E C -0.496 175.992 176.600 -0.187 0.000 1.023 664 E CA -0.339 55.939 56.400 -0.204 0.000 0.819 664 E CB 0.980 30.587 29.700 -0.155 0.000 1.076 664 E HN 0.610 nan 8.360 nan 0.000 0.396 665 Q N 2.828 122.577 119.800 -0.085 0.000 3.122 665 Q HA 0.265 4.605 4.340 -0.001 0.000 0.282 665 Q C 0.563 176.546 176.000 -0.029 0.000 0.947 665 Q CA -0.110 55.651 55.803 -0.070 0.000 0.812 665 Q CB 0.244 28.950 28.738 -0.055 0.000 1.333 665 Q HN 0.612 nan 8.270 nan 0.000 0.430 666 I N -1.801 118.737 120.570 -0.052 0.000 3.569 666 I HA 0.278 4.448 4.170 -0.001 0.000 0.334 666 I C 0.405 176.468 176.117 -0.091 0.000 1.570 666 I CA -0.679 60.601 61.300 -0.032 0.000 1.082 666 I CB 0.530 38.511 38.000 -0.032 0.000 1.323 666 I HN -0.004 nan 8.210 nan 0.000 0.489 667 S N 0.426 116.072 115.700 -0.090 0.000 2.573 667 S HA 0.173 4.643 4.470 -0.001 0.000 0.277 667 S C 0.575 175.156 174.600 -0.033 0.000 1.346 667 S CA -0.241 57.926 58.200 -0.054 0.000 1.034 667 S CB 0.273 63.489 63.200 0.025 0.000 0.879 667 S HN 0.387 nan 8.310 nan 0.000 0.528 668 T N 2.743 117.315 114.554 0.029 0.000 2.902 668 T HA 0.383 4.733 4.350 -0.001 0.000 0.301 668 T C 0.751 175.461 174.700 0.017 0.000 1.012 668 T CA 0.237 62.359 62.100 0.037 0.000 1.151 668 T CB 0.015 68.973 68.868 0.151 0.000 0.946 668 T HN 1.009 nan 8.240 nan 0.000 0.542 669 A N 2.722 125.518 122.820 -0.039 0.000 2.566 669 A HA 0.452 4.771 4.320 -0.001 0.000 0.245 669 A C 1.640 179.215 177.584 -0.015 0.000 1.056 669 A CA 0.308 52.318 52.037 -0.045 0.000 0.757 669 A CB -0.894 18.065 19.000 -0.069 0.000 0.979 669 A HN 1.690 nan 8.150 nan 0.000 0.508 670 G N 1.381 110.172 108.800 -0.014 0.000 2.176 670 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.232 670 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.232 670 G C 0.881 175.773 174.900 -0.015 0.000 0.986 670 G CA 1.086 46.180 45.100 -0.011 0.000 0.643 670 G HN 1.957 nan 8.290 nan 0.000 0.522 671 T N -2.358 112.194 114.554 -0.003 0.000 3.038 671 T HA 0.412 4.761 4.350 -0.001 0.000 0.244 671 T C 0.750 175.342 174.700 -0.181 0.000 1.016 671 T CA 1.081 63.138 62.100 -0.073 0.000 1.098 671 T CB 0.549 69.455 68.868 0.063 0.000 0.954 671 T HN 0.302 nan 8.240 nan 0.000 0.469 672 E N 1.402 121.611 120.200 0.015 0.000 2.089 672 E HA 0.664 5.013 4.350 -0.001 0.000 0.284 672 E C 1.105 177.664 176.600 -0.069 0.000 1.023 672 E CA 0.053 56.489 56.400 0.061 0.000 0.819 672 E CB 0.918 30.703 29.700 0.142 0.000 1.076 672 E HN 0.333 nan 8.360 nan 0.000 0.396 673 A N 3.438 126.147 122.820 -0.185 0.000 1.883 673 A HA -0.180 4.139 4.320 -0.001 0.000 0.217 673 A C 1.971 179.448 177.584 -0.179 0.000 1.186 673 A CA 2.144 53.957 52.037 -0.375 0.000 0.624 673 A CB -0.256 18.287 19.000 -0.762 0.000 0.822 673 A HN 0.602 nan 8.150 nan 0.000 0.444 674 S N -3.748 111.897 115.700 -0.091 0.000 3.792 674 S HA 0.453 4.923 4.470 -0.001 0.000 0.229 674 S C 0.739 175.332 174.600 -0.013 0.000 1.118 674 S CA 1.467 59.653 58.200 -0.023 0.000 0.877 674 S CB -0.130 63.077 63.200 0.011 0.000 1.077 674 S HN 2.235 nan 8.310 nan 0.000 0.546 675 G N 0.358 109.160 108.800 0.003 0.000 2.716 675 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.686 675 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.686 675 G C 0.256 175.146 174.900 -0.016 0.000 1.337 675 G CA 0.463 45.562 45.100 -0.001 0.000 0.829 675 G HN 1.324 nan 8.290 nan 0.000 0.599 676 T N -2.013 112.522 114.554 -0.032 0.000 3.029 676 T HA 0.385 4.734 4.350 -0.001 0.000 0.256 676 T C 2.385 177.003 174.700 -0.136 0.000 0.914 676 T CA 1.266 63.319 62.100 -0.078 0.000 0.880 676 T CB 0.253 69.069 68.868 -0.086 0.000 1.246 676 T HN 1.922 nan 8.240 nan 0.000 0.523 677 G N 3.443 112.189 108.800 -0.090 0.000 2.440 677 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.218 677 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.218 677 G C 1.550 176.515 174.900 0.109 0.000 1.154 677 G CA 1.454 46.531 45.100 -0.039 0.000 0.767 677 G HN 0.695 nan 8.290 nan 0.000 0.552 678 N N 1.261 119.995 118.700 0.057 0.000 2.060 678 N HA -0.227 4.513 4.740 -0.001 0.000 0.195 678 N C 2.042 177.560 175.510 0.012 0.000 1.028 678 N CA 2.231 55.306 53.050 0.041 0.000 0.861 678 N CB -0.832 37.631 38.487 -0.039 0.000 1.029 678 N HN 0.436 nan 8.380 nan 0.000 0.428 679 M N 0.236 119.779 119.600 -0.096 0.000 2.117 679 M HA -0.041 4.438 4.480 -0.001 0.000 0.262 679 M C 2.066 178.329 176.300 -0.061 0.000 1.065 679 M CA 1.606 56.832 55.300 -0.124 0.000 1.114 679 M CB -0.293 32.239 32.600 -0.115 0.000 1.361 679 M HN 0.132 nan 8.290 nan 0.000 0.408 680 K N 0.047 120.353 120.400 -0.157 0.000 2.063 680 K HA -0.131 4.189 4.320 -0.001 0.000 0.208 680 K C 1.725 178.234 176.600 -0.153 0.000 1.048 680 K CA 1.489 57.625 56.287 -0.252 0.000 0.928 680 K CB -0.354 31.790 32.500 -0.595 0.000 0.713 680 K HN 0.157 nan 8.250 nan 0.000 0.442 681 F N 1.052 120.940 119.950 -0.103 0.000 2.134 681 F HA -0.146 4.381 4.527 -0.001 0.000 0.299 681 F C 2.595 178.369 175.800 -0.043 0.000 1.097 681 F CA 1.239 59.200 58.000 -0.065 0.000 1.264 681 F CB -0.288 38.667 39.000 -0.075 0.000 1.001 681 F HN 0.003 nan 8.300 nan 0.000 0.479 682 M N -0.429 119.255 119.600 0.139 0.000 2.117 682 M HA -0.196 4.284 4.480 -0.001 0.000 0.262 682 M C 2.130 178.480 176.300 0.082 0.000 1.065 682 M CA 1.556 56.905 55.300 0.081 0.000 1.114 682 M CB -0.238 32.413 32.600 0.085 0.000 1.361 682 M HN 0.260 nan 8.290 nan 0.000 0.408 683 L N 0.831 122.105 121.223 0.084 0.000 2.201 683 L HA -0.099 4.241 4.340 -0.001 0.000 0.212 683 L C 1.311 178.225 176.870 0.072 0.000 1.105 683 L CA 1.683 56.579 54.840 0.093 0.000 0.775 683 L CB -0.656 41.468 42.059 0.109 0.000 0.913 683 L HN 0.359 nan 8.230 nan 0.000 0.440 684 N N -0.294 118.437 118.700 0.052 0.000 2.235 684 N HA 0.179 4.919 4.740 -0.001 0.000 0.209 684 N C 0.825 176.363 175.510 0.047 0.000 1.122 684 N CA 0.782 53.855 53.050 0.038 0.000 0.845 684 N CB 0.577 39.063 38.487 -0.002 0.000 1.004 684 N HN 0.417 nan 8.380 nan 0.000 0.499 685 G N 0.490 109.323 108.800 0.054 0.000 2.140 685 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.211 685 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.211 685 G C -0.010 174.945 174.900 0.093 0.000 1.013 685 G CA 0.097 45.227 45.100 0.050 0.000 0.705 685 G HN 0.512 nan 8.290 nan 0.000 0.508 686 A N -0.317 122.570 122.820 0.111 0.000 2.306 686 A HA 0.891 5.211 4.320 -0.001 0.000 0.330 686 A C 0.373 177.950 177.584 -0.010 0.000 1.146 686 A CA -0.612 51.513 52.037 0.146 0.000 0.827 686 A CB 0.992 20.154 19.000 0.270 0.000 1.178 686 A HN 0.736 nan 8.150 nan 0.000 0.490 687 L N 0.781 121.963 121.223 -0.068 0.000 2.379 687 L HA 0.465 4.805 4.340 -0.001 0.000 0.269 687 L C 0.148 176.911 176.870 -0.179 0.000 1.084 687 L CA -0.395 54.296 54.840 -0.248 0.000 0.802 687 L CB 1.618 43.435 42.059 -0.403 0.000 1.175 687 L HN 0.680 nan 8.230 nan 0.000 0.448 688 T N 2.796 117.171 114.554 -0.299 0.000 2.779 688 T HA 0.453 4.802 4.350 -0.001 0.000 0.280 688 T C -0.372 174.357 174.700 0.047 0.000 0.987 688 T CA -0.254 61.737 62.100 -0.181 0.000 0.966 688 T CB 1.505 70.244 68.868 -0.216 0.000 0.933 688 T HN 0.353 nan 8.240 nan 0.000 0.442 689 I N 3.109 123.722 120.570 0.072 0.000 2.312 689 I HA 0.692 4.862 4.170 -0.001 0.000 0.290 689 I C 0.149 176.444 176.117 0.296 0.000 1.008 689 I CA 0.095 61.525 61.300 0.217 0.000 1.226 689 I CB 0.225 38.266 38.000 0.068 0.000 1.371 689 I HN 0.777 nan 8.210 nan 0.000 0.468 690 G N 4.015 113.052 108.800 0.395 0.000 2.660 690 G HA2 0.481 4.441 3.960 -0.001 0.000 0.290 690 G HA3 0.481 4.441 3.960 -0.001 0.000 0.290 690 G C -0.894 173.928 174.900 -0.131 0.000 1.432 690 G CA -0.459 44.761 45.100 0.201 0.000 0.807 690 G HN 0.555 nan 8.290 nan 0.000 0.485 691 T N -1.386 112.965 114.554 -0.338 0.000 2.847 691 T HA 0.510 4.860 4.350 -0.001 0.000 0.279 691 T C 0.707 175.282 174.700 -0.208 0.000 0.984 691 T CA -0.693 61.141 62.100 -0.444 0.000 0.988 691 T CB 1.147 69.772 68.868 -0.405 0.000 1.040 691 T HN 0.250 nan 8.240 nan 0.000 0.528 692 M N 2.805 122.295 119.600 -0.183 0.000 3.436 692 M HA 0.324 4.804 4.480 -0.001 0.000 0.240 692 M C -0.522 175.720 176.300 -0.096 0.000 1.469 692 M CA -0.016 55.213 55.300 -0.119 0.000 1.622 692 M CB -1.661 30.880 32.600 -0.099 0.000 1.098 692 M HN 0.741 nan 8.290 nan 0.000 0.568 693 D N 0.044 120.393 120.400 -0.086 0.000 2.732 693 D HA 0.664 5.303 4.640 -0.001 0.000 0.229 693 D C 0.645 176.918 176.300 -0.046 0.000 1.152 693 D CA 0.740 54.704 54.000 -0.059 0.000 0.854 693 D CB 1.691 42.458 40.800 -0.055 0.000 1.590 693 D HN 0.608 nan 8.370 nan 0.000 0.468 694 G N 1.871 110.653 108.800 -0.029 0.000 2.614 694 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.303 694 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.303 694 G C 1.042 175.930 174.900 -0.020 0.000 1.270 694 G CA 1.031 46.118 45.100 -0.021 0.000 0.988 694 G HN 1.110 nan 8.290 nan 0.000 0.551 695 A N -0.258 122.547 122.820 -0.026 0.000 2.167 695 A HA 0.111 4.431 4.320 -0.001 0.000 0.214 695 A C 2.100 179.618 177.584 -0.110 0.000 1.151 695 A CA 1.808 53.826 52.037 -0.032 0.000 0.735 695 A CB -0.456 18.522 19.000 -0.037 0.000 0.802 695 A HN 0.631 nan 8.150 nan 0.000 0.467 696 N N 0.617 119.255 118.700 -0.105 0.000 2.094 696 N HA -0.162 4.577 4.740 -0.001 0.000 0.191 696 N C 1.594 176.991 175.510 -0.189 0.000 1.023 696 N CA 1.663 54.637 53.050 -0.127 0.000 0.857 696 N CB -0.674 37.770 38.487 -0.072 0.000 1.013 696 N HN 0.294 nan 8.380 nan 0.000 0.426 697 V N 1.225 121.064 119.914 -0.126 0.000 2.287 697 V HA -0.217 3.902 4.120 -0.001 0.000 0.248 697 V C 2.006 178.033 176.094 -0.113 0.000 1.053 697 V CA 1.709 63.937 62.300 -0.120 0.000 1.027 697 V CB -0.520 31.262 31.823 -0.068 0.000 0.646 697 V HN 0.350 nan 8.190 nan 0.000 0.447 698 E N -0.570 119.611 120.200 -0.032 0.000 2.152 698 E HA -0.136 4.213 4.350 -0.001 0.000 0.192 698 E C 2.225 178.918 176.600 0.154 0.000 0.983 698 E CA 1.070 57.522 56.400 0.086 0.000 0.818 698 E CB -0.190 29.640 29.700 0.216 0.000 0.758 698 E HN 0.548 nan 8.360 nan 0.000 0.467 699 M N 0.458 120.033 119.600 -0.042 0.000 2.086 699 M HA -0.159 4.320 4.480 -0.001 0.000 0.261 699 M C 2.500 178.498 176.300 -0.503 0.000 1.067 699 M CA 1.607 56.790 55.300 -0.195 0.000 1.116 699 M CB -0.221 32.151 32.600 -0.381 0.000 1.348 699 M HN 0.135 nan 8.290 nan 0.000 0.407 700 A N -0.208 122.096 122.820 -0.859 0.000 1.933 700 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 700 A C 2.018 179.402 177.584 -0.332 0.000 1.175 700 A CA 1.882 53.385 52.037 -0.890 0.000 0.628 700 A CB -0.799 17.794 19.000 -0.677 0.000 0.814 700 A HN 0.580 nan 8.150 nan 0.000 0.444 701 E N -0.393 119.690 120.200 -0.194 0.000 2.077 701 E HA -0.218 4.131 4.350 -0.001 0.000 0.193 701 E C 1.782 178.357 176.600 -0.042 0.000 0.989 701 E CA 1.258 57.606 56.400 -0.087 0.000 0.800 701 E CB -0.065 29.605 29.700 -0.050 0.000 0.746 701 E HN 0.553 nan 8.360 nan 0.000 0.452 702 E N -0.028 120.172 120.200 0.000 0.000 2.072 702 E HA -0.133 4.217 4.350 -0.001 0.000 0.191 702 E C 1.790 178.425 176.600 0.059 0.000 0.985 702 E CA 1.131 57.562 56.400 0.050 0.000 0.801 702 E CB -0.130 29.660 29.700 0.149 0.000 0.750 702 E HN 0.343 nan 8.360 nan 0.000 0.452 703 A N 0.273 123.136 122.820 0.072 0.000 2.081 703 A HA 0.355 4.675 4.320 -0.001 0.000 0.214 703 A C 1.032 178.662 177.584 0.077 0.000 1.158 703 A CA 1.014 53.129 52.037 0.130 0.000 0.724 703 A CB 0.044 19.240 19.000 0.327 0.000 0.826 703 A HN 0.239 nan 8.150 nan 0.000 0.463 704 G N -0.422 108.389 108.800 0.019 0.000 3.039 704 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.686 704 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.686 704 G C -0.015 174.892 174.900 0.011 0.000 1.066 704 G CA 0.015 45.117 45.100 0.003 0.000 0.774 704 G HN 0.280 nan 8.290 nan 0.000 0.591 705 E N 0.614 120.797 120.200 -0.028 0.000 2.265 705 E HA -0.171 4.179 4.350 -0.001 0.000 0.196 705 E C 2.344 178.945 176.600 0.001 0.000 0.996 705 E CA 1.193 57.580 56.400 -0.021 0.000 0.832 705 E CB 0.090 29.766 29.700 -0.039 0.000 0.756 705 E HN 0.793 nan 8.360 nan 0.000 0.491 706 E N 0.933 121.120 120.200 -0.020 0.000 2.333 706 E HA -0.183 4.167 4.350 -0.001 0.000 0.198 706 E C 0.890 177.425 176.600 -0.109 0.000 1.007 706 E CA 0.864 57.227 56.400 -0.061 0.000 0.845 706 E CB -0.124 29.547 29.700 -0.047 0.000 0.766 706 E HN 0.203 nan 8.360 nan 0.000 0.507 707 N N -0.336 118.345 118.700 -0.031 0.000 2.230 707 N HA 0.148 4.888 4.740 -0.001 0.000 0.202 707 N C -0.932 174.518 175.510 -0.101 0.000 1.119 707 N CA 0.074 53.078 53.050 -0.076 0.000 0.851 707 N CB 0.264 38.762 38.487 0.018 0.000 0.990 707 N HN 0.028 nan 8.380 nan 0.000 0.497 708 F N -0.401 119.393 119.950 -0.261 0.000 2.563 708 F HA 0.403 4.930 4.527 -0.001 0.000 0.316 708 F C -0.193 175.441 175.800 -0.277 0.000 1.076 708 F CA -1.065 56.817 58.000 -0.196 0.000 0.921 708 F CB 1.119 40.071 39.000 -0.080 0.000 1.209 708 F HN -0.207 nan 8.300 nan 0.000 0.462 709 F N 4.630 124.636 119.950 0.093 0.000 2.541 709 F HA 0.308 4.834 4.527 -0.001 0.000 0.351 709 F C -0.080 175.854 175.800 0.223 0.000 1.209 709 F CA -0.393 57.673 58.000 0.109 0.000 1.277 709 F CB -0.326 38.696 39.000 0.037 0.000 1.632 709 F HN 0.009 nan 8.300 nan 0.000 0.619 710 I N 3.750 124.501 120.570 0.301 0.000 2.428 710 I HA 0.315 4.485 4.170 -0.001 0.000 0.289 710 I C -0.038 176.256 176.117 0.295 0.000 1.019 710 I CA -0.677 60.764 61.300 0.236 0.000 1.351 710 I CB 0.444 38.502 38.000 0.098 0.000 1.412 710 I HN 0.304 nan 8.210 nan 0.000 0.513 711 F N 2.544 122.550 119.950 0.093 0.000 2.685 711 F HA 0.878 5.404 4.527 -0.001 0.000 0.315 711 F C 0.031 175.865 175.800 0.057 0.000 1.126 711 F CA -0.548 57.501 58.000 0.081 0.000 0.950 711 F CB 1.209 40.274 39.000 0.110 0.000 1.360 711 F HN 0.817 nan 8.300 nan 0.000 0.469 712 G N 0.960 109.823 108.800 0.105 0.000 2.796 712 G HA2 -0.089 3.871 3.960 -0.001 0.000 0.571 712 G HA3 -0.089 3.871 3.960 -0.001 0.000 0.571 712 G C -0.799 174.070 174.900 -0.051 0.000 1.370 712 G CA -0.617 44.484 45.100 0.001 0.000 0.856 712 G HN 0.980 nan 8.290 nan 0.000 0.538 713 M N 0.330 119.913 119.600 -0.028 0.000 2.248 713 M HA 0.204 4.684 4.480 -0.001 0.000 0.343 713 M C 1.149 177.410 176.300 -0.065 0.000 1.243 713 M CA 0.343 55.629 55.300 -0.024 0.000 1.025 713 M CB 0.266 32.858 32.600 -0.013 0.000 1.759 713 M HN 0.559 nan 8.290 nan 0.000 0.452 714 R N 1.414 121.889 120.500 -0.042 0.000 2.541 714 R HA 0.248 4.587 4.340 -0.001 0.000 0.263 714 R C 1.103 177.381 176.300 -0.036 0.000 1.112 714 R CA -0.531 55.540 56.100 -0.048 0.000 1.170 714 R CB 0.162 30.441 30.300 -0.035 0.000 1.167 714 R HN 0.571 nan 8.270 nan 0.000 0.582 715 V N 0.810 120.702 119.914 -0.037 0.000 2.324 715 V HA -0.281 3.839 4.120 -0.001 0.000 0.250 715 V C 2.082 178.164 176.094 -0.020 0.000 1.060 715 V CA 2.288 64.570 62.300 -0.029 0.000 1.042 715 V CB -0.492 31.313 31.823 -0.030 0.000 0.650 715 V HN 0.736 nan 8.190 nan 0.000 0.450 716 E N -0.255 119.935 120.200 -0.017 0.000 2.118 716 E HA -0.247 4.103 4.350 -0.001 0.000 0.195 716 E C 1.869 178.470 176.600 0.002 0.000 0.992 716 E CA 1.496 57.892 56.400 -0.008 0.000 0.804 716 E CB -0.047 29.649 29.700 -0.006 0.000 0.741 716 E HN 0.668 nan 8.360 nan 0.000 0.458 717 D N -0.314 120.088 120.400 0.004 0.000 2.149 717 D HA -0.115 4.525 4.640 -0.001 0.000 0.201 717 D C 2.065 178.378 176.300 0.020 0.000 0.972 717 D CA 0.746 54.758 54.000 0.021 0.000 0.835 717 D CB -0.015 40.801 40.800 0.027 0.000 0.966 717 D HN 0.128 nan 8.370 nan 0.000 0.476 718 V N 2.052 121.966 119.914 -0.001 0.000 2.295 718 V HA -0.223 3.897 4.120 -0.001 0.000 0.246 718 V C 1.969 178.059 176.094 -0.007 0.000 1.049 718 V CA 1.753 64.043 62.300 -0.016 0.000 1.024 718 V CB -0.430 31.373 31.823 -0.034 0.000 0.648 718 V HN 0.032 nan 8.190 nan 0.000 0.447 719 D N -0.128 120.269 120.400 -0.006 0.000 2.117 719 D HA -0.141 4.499 4.640 -0.001 0.000 0.197 719 D C 2.413 178.721 176.300 0.013 0.000 0.987 719 D CA 1.159 55.157 54.000 -0.002 0.000 0.829 719 D CB -0.279 40.517 40.800 -0.007 0.000 0.961 719 D HN 0.411 nan 8.370 nan 0.000 0.460 720 R N 0.145 120.659 120.500 0.023 0.000 2.096 720 R HA -0.021 4.319 4.340 -0.001 0.000 0.235 720 R C 2.555 178.889 176.300 0.056 0.000 1.127 720 R CA 0.448 56.569 56.100 0.036 0.000 0.968 720 R CB -0.429 29.895 30.300 0.039 0.000 0.861 720 R HN 0.236 nan 8.270 nan 0.000 0.440 721 L N 0.877 122.142 121.223 0.071 0.000 2.083 721 L HA -0.200 4.140 4.340 -0.001 0.000 0.209 721 L C 1.733 178.663 176.870 0.100 0.000 1.083 721 L CA 1.215 56.123 54.840 0.114 0.000 0.752 721 L CB -0.326 41.822 42.059 0.148 0.000 0.899 721 L HN 0.159 nan 8.230 nan 0.000 0.433 722 D N -0.489 119.944 120.400 0.055 0.000 2.144 722 D HA -0.201 4.439 4.640 -0.001 0.000 0.199 722 D C 2.234 178.559 176.300 0.041 0.000 0.984 722 D CA 1.075 55.099 54.000 0.040 0.000 0.834 722 D CB -0.043 40.761 40.800 0.006 0.000 0.955 722 D HN 0.404 nan 8.370 nan 0.000 0.465 723 Q N -0.140 119.681 119.800 0.036 0.000 2.124 723 Q HA -0.121 4.218 4.340 -0.001 0.000 0.202 723 Q C 2.162 178.184 176.000 0.038 0.000 0.977 723 Q CA 1.115 56.937 55.803 0.031 0.000 0.850 723 Q CB 0.047 28.800 28.738 0.025 0.000 0.901 723 Q HN 0.240 nan 8.270 nan 0.000 0.429 724 R N -0.328 120.203 120.500 0.052 0.000 2.237 724 R HA 0.153 4.493 4.340 -0.001 0.000 0.195 724 R C -0.125 176.212 176.300 0.061 0.000 0.956 724 R CA 0.877 57.009 56.100 0.052 0.000 1.029 724 R CB 0.602 30.935 30.300 0.055 0.000 0.972 724 R HN 0.102 nan 8.270 nan 0.000 0.493 725 G N 0.840 109.690 108.800 0.083 0.000 3.355 725 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.686 725 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.686 725 G C -1.462 173.529 174.900 0.152 0.000 1.097 725 G CA -0.287 44.871 45.100 0.098 0.000 0.881 725 G HN 0.294 nan 8.290 nan 0.000 0.550 726 Y N 3.073 123.401 120.300 0.047 0.000 2.480 726 Y HA 0.552 5.101 4.550 -0.001 0.000 0.341 726 Y C 0.344 176.292 175.900 0.081 0.000 1.031 726 Y CA -1.016 57.129 58.100 0.076 0.000 1.295 726 Y CB 1.029 39.511 38.460 0.037 0.000 1.162 726 Y HN 0.620 nan 8.280 nan 0.000 0.523 727 N N 4.864 123.371 118.700 -0.322 0.000 2.626 727 N HA 0.352 5.091 4.740 -0.001 0.000 0.242 727 N C 0.341 175.606 175.510 -0.409 0.000 1.005 727 N CA 0.264 53.119 53.050 -0.325 0.000 0.905 727 N CB 1.100 39.515 38.487 -0.120 0.000 1.128 727 N HN 0.754 nan 8.380 nan 0.000 0.512 728 A N 2.777 125.233 122.820 -0.607 0.000 1.972 728 A HA -0.201 4.119 4.320 -0.001 0.000 0.219 728 A C 1.878 179.579 177.584 0.194 0.000 1.169 728 A CA 1.486 53.407 52.037 -0.193 0.000 0.635 728 A CB -0.459 18.360 19.000 -0.302 0.000 0.810 728 A HN 0.713 nan 8.150 nan 0.000 0.446 729 Q N 0.238 120.041 119.800 0.004 0.000 2.181 729 Q HA -0.227 4.113 4.340 -0.001 0.000 0.205 729 Q C 1.881 177.938 176.000 0.095 0.000 0.980 729 Q CA 2.184 58.013 55.803 0.043 0.000 0.862 729 Q CB -0.342 28.373 28.738 -0.038 0.000 0.905 729 Q HN 0.797 nan 8.270 nan 0.000 0.429 730 E N -1.360 118.839 120.200 -0.000 0.000 2.085 730 E HA -0.246 4.103 4.350 -0.001 0.000 0.194 730 E C 1.422 177.941 176.600 -0.135 0.000 0.994 730 E CA 1.451 57.776 56.400 -0.125 0.000 0.801 730 E CB -0.234 29.287 29.700 -0.298 0.000 0.743 730 E HN 0.596 nan 8.360 nan 0.000 0.453 731 Y N -1.028 119.329 120.300 0.095 0.000 2.220 731 Y HA -0.173 4.377 4.550 -0.001 0.000 0.291 731 Y C 2.240 178.127 175.900 -0.022 0.000 1.129 731 Y CA 1.467 59.614 58.100 0.078 0.000 1.161 731 Y CB -0.771 37.797 38.460 0.180 0.000 0.997 731 Y HN 0.203 nan 8.280 nan 0.000 0.522 732 Y N 1.444 121.748 120.300 0.006 0.000 2.128 732 Y HA -0.293 4.257 4.550 -0.001 0.000 0.284 732 Y C 1.797 177.652 175.900 -0.076 0.000 1.154 732 Y CA 1.973 59.998 58.100 -0.124 0.000 1.149 732 Y CB -0.403 38.029 38.460 -0.046 0.000 0.976 732 Y HN 0.085 nan 8.280 nan 0.000 0.505 733 D N -0.423 120.063 120.400 0.143 0.000 2.264 733 D HA -0.077 4.562 4.640 -0.001 0.000 0.208 733 D C 1.836 178.107 176.300 -0.048 0.000 0.966 733 D CA 1.139 55.169 54.000 0.049 0.000 0.864 733 D CB -0.119 40.727 40.800 0.077 0.000 0.933 733 D HN 0.452 nan 8.370 nan 0.000 0.499 734 R N -0.481 119.987 120.500 -0.053 0.000 2.334 734 R HA 0.319 4.658 4.340 -0.001 0.000 0.212 734 R C 0.234 176.507 176.300 -0.046 0.000 0.897 734 R CA 0.091 56.162 56.100 -0.048 0.000 1.056 734 R CB 1.135 31.407 30.300 -0.047 0.000 1.046 734 R HN 0.090 nan 8.270 nan 0.000 0.513 735 I N 1.353 121.871 120.570 -0.087 0.000 2.537 735 I HA 0.233 4.402 4.170 -0.001 0.000 0.276 735 I C -2.047 173.974 176.117 -0.160 0.000 1.063 735 I CA -2.278 58.978 61.300 -0.073 0.000 1.144 735 I CB 2.061 40.048 38.000 -0.021 0.000 1.252 735 I HN -0.272 nan 8.210 nan 0.000 0.480 736 P HA -0.201 nan 4.420 nan 0.000 0.216 736 P C 1.185 178.396 177.300 -0.147 0.000 1.157 736 P CA 1.550 64.563 63.100 -0.145 0.000 0.880 736 P CB 0.294 31.942 31.700 -0.087 0.000 0.791 737 E N -1.255 118.898 120.200 -0.078 0.000 2.204 737 E HA -0.157 4.192 4.350 -0.001 0.000 0.195 737 E C 1.848 178.372 176.600 -0.126 0.000 0.990 737 E CA 0.529 56.903 56.400 -0.044 0.000 0.821 737 E CB -0.550 29.192 29.700 0.069 0.000 0.750 737 E HN 0.112 nan 8.360 nan 0.000 0.477 738 L N 1.276 122.336 121.223 -0.271 0.000 2.044 738 L HA -0.120 4.219 4.340 -0.001 0.000 0.205 738 L C 2.079 178.708 176.870 -0.403 0.000 1.075 738 L CA 1.620 56.148 54.840 -0.520 0.000 0.747 738 L CB -0.216 41.391 42.059 -0.753 0.000 0.903 738 L HN -0.087 nan 8.230 nan 0.000 0.435 739 R N -0.750 119.472 120.500 -0.462 0.000 2.091 739 R HA -0.242 4.097 4.340 -0.001 0.000 0.238 739 R C 2.266 178.438 176.300 -0.213 0.000 1.136 739 R CA 1.845 57.628 56.100 -0.528 0.000 0.959 739 R CB -0.552 29.335 30.300 -0.688 0.000 0.856 739 R HN 0.583 nan 8.270 nan 0.000 0.437 740 Q N 0.896 120.592 119.800 -0.174 0.000 2.045 740 Q HA -0.204 4.136 4.340 -0.001 0.000 0.206 740 Q C 2.111 178.080 176.000 -0.052 0.000 0.991 740 Q CA 1.744 57.485 55.803 -0.104 0.000 0.851 740 Q CB -0.102 28.577 28.738 -0.099 0.000 0.911 740 Q HN 0.360 nan 8.270 nan 0.000 0.418 741 I N 0.507 121.054 120.570 -0.039 0.000 2.179 741 I HA -0.287 3.882 4.170 -0.001 0.000 0.242 741 I C 2.172 178.346 176.117 0.095 0.000 1.088 741 I CA 0.601 61.929 61.300 0.046 0.000 1.357 741 I CB -0.315 37.693 38.000 0.012 0.000 1.051 741 I HN 0.289 nan 8.210 nan 0.000 0.409 742 I N 0.707 121.319 120.570 0.070 0.000 2.208 742 I HA -0.257 3.912 4.170 -0.001 0.000 0.245 742 I C 2.491 178.715 176.117 0.179 0.000 1.097 742 I CA 1.642 63.040 61.300 0.164 0.000 1.363 742 I CB -1.343 36.818 38.000 0.268 0.000 1.051 742 I HN 0.237 nan 8.210 nan 0.000 0.413 743 E N 0.640 120.926 120.200 0.144 0.000 2.110 743 E HA -0.190 4.159 4.350 -0.001 0.000 0.193 743 E C 2.246 178.914 176.600 0.114 0.000 0.988 743 E CA 0.909 57.381 56.400 0.121 0.000 0.804 743 E CB -0.249 29.494 29.700 0.071 0.000 0.745 743 E HN 0.500 nan 8.360 nan 0.000 0.458 744 Q N -0.276 119.585 119.800 0.102 0.000 2.084 744 Q HA -0.109 4.231 4.340 -0.001 0.000 0.202 744 Q C 2.209 178.409 176.000 0.333 0.000 0.978 744 Q CA 1.134 57.023 55.803 0.143 0.000 0.844 744 Q CB -0.136 28.657 28.738 0.091 0.000 0.898 744 Q HN 0.290 nan 8.270 nan 0.000 0.426 745 L N -0.325 121.109 121.223 0.350 0.000 2.056 745 L HA -0.176 4.164 4.340 -0.001 0.000 0.207 745 L C 2.509 179.571 176.870 0.320 0.000 1.078 745 L CA 0.826 55.887 54.840 0.368 0.000 0.749 745 L CB -0.369 41.828 42.059 0.229 0.000 0.901 745 L HN 0.125 nan 8.230 nan 0.000 0.433 746 S N -0.281 115.561 115.700 0.236 0.000 2.356 746 S HA -0.163 4.307 4.470 -0.001 0.000 0.223 746 S C 2.147 176.848 174.600 0.169 0.000 1.032 746 S CA 1.650 59.964 58.200 0.191 0.000 1.005 746 S CB -0.175 63.118 63.200 0.154 0.000 0.867 746 S HN 0.607 nan 8.310 nan 0.000 0.449 747 S N 0.060 115.856 115.700 0.161 0.000 2.489 747 S HA 0.265 4.734 4.470 -0.001 0.000 0.228 747 S C 1.426 176.109 174.600 0.138 0.000 0.995 747 S CA 0.927 59.204 58.200 0.129 0.000 0.934 747 S CB -0.003 63.263 63.200 0.109 0.000 0.771 747 S HN 0.853 nan 8.310 nan 0.000 0.522 748 G N 0.379 109.291 108.800 0.188 0.000 2.138 748 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.193 748 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.193 748 G C 0.207 175.195 174.900 0.147 0.000 0.998 748 G CA 0.089 45.289 45.100 0.167 0.000 0.668 748 G HN 0.467 nan 8.290 nan 0.000 0.516 749 F N 0.641 120.583 119.950 -0.014 0.000 2.154 749 F HA 0.124 4.651 4.527 -0.001 0.000 0.301 749 F C 1.795 177.400 175.800 -0.325 0.000 1.087 749 F CA 2.003 59.872 58.000 -0.218 0.000 1.274 749 F CB -0.104 38.670 39.000 -0.375 0.000 1.009 749 F HN 0.171 nan 8.300 nan 0.000 0.485 750 F N -0.422 119.590 119.950 0.103 0.000 2.664 750 F HA 0.211 4.737 4.527 -0.001 0.000 0.303 750 F C 0.750 176.630 175.800 0.133 0.000 1.092 750 F CA 0.330 58.348 58.000 0.030 0.000 1.305 750 F CB -0.225 38.831 39.000 0.093 0.000 1.054 750 F HN -0.002 nan 8.300 nan 0.000 0.565 751 S N -2.062 113.760 115.700 0.203 0.000 2.606 751 S HA 0.301 4.770 4.470 -0.001 0.000 0.156 751 S C -2.403 172.204 174.600 0.011 0.000 1.308 751 S CA -0.964 57.284 58.200 0.080 0.000 1.228 751 S CB 0.646 63.834 63.200 -0.021 0.000 1.568 751 S HN -0.174 nan 8.310 nan 0.000 0.397 752 P HA -0.101 nan 4.420 nan 0.000 0.216 752 P C 1.038 178.326 177.300 -0.019 0.000 1.150 752 P CA 1.373 64.452 63.100 -0.034 0.000 0.843 752 P CB 0.067 31.724 31.700 -0.072 0.000 0.787 753 K N -1.404 118.982 120.400 -0.022 0.000 2.365 753 K HA -0.009 4.310 4.320 -0.001 0.000 0.197 753 K C 1.226 177.819 176.600 -0.011 0.000 1.042 753 K CA 0.519 56.797 56.287 -0.015 0.000 0.987 753 K CB 0.124 32.615 32.500 -0.015 0.000 0.779 753 K HN 0.145 nan 8.250 nan 0.000 0.484 754 Q N 0.145 119.934 119.800 -0.018 0.000 3.090 754 Q HA 0.164 4.504 4.340 -0.001 0.000 0.241 754 Q C -2.389 173.595 176.000 -0.026 0.000 0.958 754 Q CA -1.966 53.822 55.803 -0.024 0.000 0.715 754 Q CB 1.172 29.889 28.738 -0.034 0.000 1.298 754 Q HN -0.130 nan 8.270 nan 0.000 0.468 755 P HA -0.183 nan 4.420 nan 0.000 0.217 755 P C 0.446 177.771 177.300 0.041 0.000 1.148 755 P CA 1.395 64.515 63.100 0.033 0.000 0.828 755 P CB 0.211 31.935 31.700 0.039 0.000 0.783 756 D N -1.323 119.087 120.400 0.018 0.000 2.342 756 D HA -0.019 4.621 4.640 -0.001 0.000 0.221 756 D C 1.593 177.885 176.300 -0.013 0.000 1.101 756 D CA -0.216 53.803 54.000 0.031 0.000 0.837 756 D CB -0.746 40.076 40.800 0.036 0.000 0.938 756 D HN -0.002 nan 8.370 nan 0.000 0.508 757 L N -0.038 121.108 121.223 -0.127 0.000 2.043 757 L HA -0.101 4.239 4.340 -0.001 0.000 0.212 757 L C 0.977 177.634 176.870 -0.355 0.000 1.075 757 L CA 1.662 56.307 54.840 -0.325 0.000 0.752 757 L CB -0.639 41.031 42.059 -0.648 0.000 0.891 757 L HN -0.040 nan 8.230 nan 0.000 0.432 758 F N -0.306 119.698 119.950 0.089 0.000 2.668 758 F HA 0.179 4.706 4.527 -0.001 0.000 0.297 758 F C 1.842 177.698 175.800 0.093 0.000 1.124 758 F CA -0.102 57.944 58.000 0.076 0.000 1.353 758 F CB -0.777 38.259 39.000 0.061 0.000 0.992 758 F HN 0.147 nan 8.300 nan 0.000 0.524 759 K N -0.342 120.179 120.400 0.201 0.000 2.103 759 K HA -0.191 4.128 4.320 -0.001 0.000 0.207 759 K C 0.866 177.574 176.600 0.180 0.000 1.048 759 K CA 2.067 58.457 56.287 0.172 0.000 0.930 759 K CB -0.290 32.285 32.500 0.124 0.000 0.716 759 K HN 0.084 nan 8.250 nan 0.000 0.444 760 D N 1.295 121.811 120.400 0.192 0.000 2.144 760 D HA -0.055 4.584 4.640 -0.001 0.000 0.200 760 D C 2.106 178.520 176.300 0.190 0.000 0.978 760 D CA 1.000 55.120 54.000 0.201 0.000 0.833 760 D CB -0.117 40.834 40.800 0.252 0.000 0.961 760 D HN 0.310 nan 8.370 nan 0.000 0.470 761 I N 0.582 121.266 120.570 0.190 0.000 2.179 761 I HA -0.222 3.948 4.170 -0.001 0.000 0.242 761 I C 2.428 178.620 176.117 0.127 0.000 1.088 761 I CA 0.652 62.036 61.300 0.140 0.000 1.357 761 I CB -0.249 37.820 38.000 0.114 0.000 1.051 761 I HN -0.113 nan 8.210 nan 0.000 0.409 762 V N 1.201 121.207 119.914 0.154 0.000 2.287 762 V HA -0.344 3.776 4.120 -0.001 0.000 0.248 762 V C 2.290 178.453 176.094 0.115 0.000 1.053 762 V CA 2.380 64.764 62.300 0.141 0.000 1.027 762 V CB -1.028 30.892 31.823 0.161 0.000 0.646 762 V HN 0.559 nan 8.190 nan 0.000 0.447 763 N N -0.373 118.423 118.700 0.159 0.000 2.104 763 N HA -0.238 4.502 4.740 -0.001 0.000 0.190 763 N C 2.008 177.642 175.510 0.206 0.000 1.024 763 N CA 1.783 54.964 53.050 0.218 0.000 0.853 763 N CB -0.107 38.522 38.487 0.236 0.000 1.008 763 N HN 0.392 nan 8.380 nan 0.000 0.424 764 M N 1.313 121.023 119.600 0.184 0.000 2.099 764 M HA -0.106 4.373 4.480 -0.001 0.000 0.262 764 M C 2.033 178.350 176.300 0.029 0.000 1.067 764 M CA 1.143 56.549 55.300 0.177 0.000 1.124 764 M CB -0.751 31.950 32.600 0.169 0.000 1.353 764 M HN 0.210 nan 8.290 nan 0.000 0.410 765 L N -0.008 121.182 121.223 -0.055 0.000 2.042 765 L HA -0.272 4.067 4.340 -0.001 0.000 0.210 765 L C 2.600 179.194 176.870 -0.460 0.000 1.076 765 L CA 1.134 55.798 54.840 -0.294 0.000 0.749 765 L CB -0.636 41.262 42.059 -0.268 0.000 0.893 765 L HN 0.328 nan 8.230 nan 0.000 0.432 766 M N -1.604 117.801 119.600 -0.324 0.000 2.288 766 M HA -0.084 4.396 4.480 -0.001 0.000 0.266 766 M C 1.673 177.509 176.300 -0.772 0.000 1.072 766 M CA 1.646 56.632 55.300 -0.524 0.000 1.132 766 M CB -0.655 31.575 32.600 -0.617 0.000 1.386 766 M HN 0.351 nan 8.290 nan 0.000 0.432 767 H N -2.787 116.127 119.070 -0.260 0.000 3.643 767 H HA 0.258 4.814 4.556 -0.001 0.000 0.256 767 H C 0.285 175.197 175.328 -0.694 0.000 1.107 767 H CA 0.265 56.011 56.048 -0.503 0.000 1.175 767 H CB 0.836 30.195 29.762 -0.672 0.000 1.519 767 H HN 0.399 nan 8.280 nan 0.000 0.565 768 H N 0.361 119.492 119.070 0.102 0.000 2.750 768 H HA 0.122 4.678 4.556 -0.001 0.000 0.239 768 H C -0.571 174.791 175.328 0.056 0.000 1.210 768 H CA -0.214 55.884 56.048 0.084 0.000 0.936 768 H CB 1.087 30.904 29.762 0.092 0.000 2.074 768 H HN 0.122 nan 8.280 nan 0.000 0.622 769 D N 1.268 121.731 120.400 0.106 0.000 2.422 769 D HA 0.105 4.745 4.640 -0.001 0.000 0.227 769 D C 1.157 177.427 176.300 -0.050 0.000 1.190 769 D CA -0.281 53.755 54.000 0.060 0.000 0.905 769 D CB 0.520 41.331 40.800 0.018 0.000 1.034 769 D HN 0.167 nan 8.370 nan 0.000 0.507 770 R N 2.245 122.625 120.500 -0.201 0.000 2.285 770 R HA -0.024 4.315 4.340 -0.001 0.000 0.213 770 R C 0.515 176.302 176.300 -0.855 0.000 1.068 770 R CA 0.797 56.558 56.100 -0.565 0.000 1.004 770 R CB 0.136 29.938 30.300 -0.830 0.000 0.873 770 R HN 0.406 nan 8.270 nan 0.000 0.467 771 F N 0.075 119.972 119.950 -0.088 0.000 2.688 771 F HA 0.273 4.800 4.527 -0.001 0.000 0.310 771 F C 0.103 175.773 175.800 -0.217 0.000 1.098 771 F CA -0.670 57.266 58.000 -0.106 0.000 1.228 771 F CB 0.323 39.318 39.000 -0.009 0.000 1.042 771 F HN -0.249 nan 8.300 nan 0.000 0.557 772 K N -0.311 119.887 120.400 -0.338 0.000 3.150 772 K HA -0.174 4.146 4.320 -0.001 0.000 0.267 772 K C 0.974 177.445 176.600 -0.216 0.000 1.028 772 K CA 0.220 56.126 56.287 -0.636 0.000 0.753 772 K CB -1.887 30.198 32.500 -0.691 0.000 1.288 772 K HN 0.207 nan 8.250 nan 0.000 0.473 773 V N -0.136 119.734 119.914 -0.073 0.000 2.287 773 V HA -0.279 3.840 4.120 -0.001 0.000 0.248 773 V C 2.015 178.238 176.094 0.214 0.000 1.053 773 V CA 2.166 64.502 62.300 0.060 0.000 1.027 773 V CB -0.475 31.388 31.823 0.067 0.000 0.646 773 V HN 0.375 nan 8.190 nan 0.000 0.447 774 F N 0.773 120.738 119.950 0.024 0.000 2.216 774 F HA -0.058 4.469 4.527 -0.001 0.000 0.300 774 F C 2.433 178.078 175.800 -0.258 0.000 1.085 774 F CA 0.759 58.732 58.000 -0.045 0.000 1.326 774 F CB -1.481 37.505 39.000 -0.023 0.000 1.027 774 F HN 0.163 nan 8.300 nan 0.000 0.497 775 A N -0.699 121.979 122.820 -0.238 0.000 2.067 775 A HA -0.130 4.190 4.320 -0.001 0.000 0.219 775 A C 1.550 179.138 177.584 0.007 0.000 1.158 775 A CA 1.699 53.498 52.037 -0.396 0.000 0.661 775 A CB -0.466 18.389 19.000 -0.241 0.000 0.801 775 A HN 0.186 nan 8.150 nan 0.000 0.452 776 D N -2.695 117.767 120.400 0.103 0.000 2.395 776 D HA 0.106 4.746 4.640 -0.001 0.000 0.213 776 D C 1.037 177.507 176.300 0.283 0.000 1.110 776 D CA -0.097 54.033 54.000 0.216 0.000 0.835 776 D CB -0.083 40.851 40.800 0.223 0.000 0.965 776 D HN 0.560 nan 8.370 nan 0.000 0.505 777 Y N 1.997 122.390 120.300 0.156 0.000 2.114 777 Y HA -0.165 4.384 4.550 -0.001 0.000 0.284 777 Y C 1.958 177.946 175.900 0.147 0.000 1.143 777 Y CA 1.804 60.005 58.100 0.168 0.000 1.135 777 Y CB 0.219 38.755 38.460 0.127 0.000 0.980 777 Y HN -0.100 nan 8.280 nan 0.000 0.499 778 E N -0.075 120.207 120.200 0.137 0.000 2.047 778 E HA -0.203 4.147 4.350 -0.001 0.000 0.191 778 E C 2.120 178.699 176.600 -0.036 0.000 0.987 778 E CA 1.343 57.744 56.400 0.002 0.000 0.799 778 E CB -0.146 29.644 29.700 0.149 0.000 0.752 778 E HN 0.621 nan 8.360 nan 0.000 0.449 779 E N 0.085 120.335 120.200 0.083 0.000 2.153 779 E HA -0.195 4.154 4.350 -0.001 0.000 0.194 779 E C 1.924 178.515 176.600 -0.015 0.000 0.988 779 E CA 0.754 57.221 56.400 0.111 0.000 0.811 779 E CB -0.141 29.717 29.700 0.263 0.000 0.746 779 E HN 0.279 nan 8.360 nan 0.000 0.466 780 Y N 1.496 121.616 120.300 -0.301 0.000 2.163 780 Y HA -0.208 4.342 4.550 -0.001 0.000 0.288 780 Y C 2.194 177.706 175.900 -0.647 0.000 1.136 780 Y CA 0.909 58.529 58.100 -0.801 0.000 1.147 780 Y CB -0.448 37.605 38.460 -0.678 0.000 0.987 780 Y HN -0.220 nan 8.280 nan 0.000 0.509 781 V N 0.647 120.211 119.914 -0.584 0.000 2.343 781 V HA -0.316 3.804 4.120 -0.001 0.000 0.247 781 V C 2.262 178.126 176.094 -0.384 0.000 1.051 781 V CA 2.356 64.321 62.300 -0.558 0.000 1.036 781 V CB -0.587 30.944 31.823 -0.486 0.000 0.654 781 V HN 0.315 nan 8.190 nan 0.000 0.451 782 K N -0.902 119.341 120.400 -0.262 0.000 2.097 782 K HA -0.186 4.134 4.320 -0.001 0.000 0.205 782 K C 2.291 178.806 176.600 -0.142 0.000 1.050 782 K CA 1.601 57.800 56.287 -0.147 0.000 0.938 782 K CB -0.588 31.874 32.500 -0.063 0.000 0.718 782 K HN 0.516 nan 8.250 nan 0.000 0.442 783 C N 1.564 120.750 119.300 -0.190 0.000 2.429 783 C HA -0.107 4.353 4.460 -0.001 0.000 0.277 783 C C 2.637 177.467 174.990 -0.268 0.000 1.262 783 C CA 0.888 59.828 59.018 -0.130 0.000 1.733 783 C CB -0.627 27.039 27.740 -0.123 0.000 2.010 783 C HN 0.433 nan 8.230 nan 0.000 0.483 784 Q N 0.402 119.896 119.800 -0.510 0.000 2.170 784 Q HA -0.171 4.168 4.340 -0.001 0.000 0.203 784 Q C 1.975 177.801 176.000 -0.290 0.000 0.976 784 Q CA 1.595 57.073 55.803 -0.542 0.000 0.858 784 Q CB -0.415 27.776 28.738 -0.910 0.000 0.907 784 Q HN 0.760 nan 8.270 nan 0.000 0.433 785 E N 0.354 120.436 120.200 -0.196 0.000 2.077 785 E HA -0.161 4.189 4.350 -0.001 0.000 0.193 785 E C 2.087 178.663 176.600 -0.039 0.000 0.989 785 E CA 0.746 57.091 56.400 -0.092 0.000 0.800 785 E CB -0.045 29.618 29.700 -0.062 0.000 0.746 785 E HN 0.269 nan 8.360 nan 0.000 0.452 786 R N 0.420 120.914 120.500 -0.010 0.000 2.115 786 R HA -0.079 4.261 4.340 -0.001 0.000 0.230 786 R C 2.432 178.805 176.300 0.122 0.000 1.111 786 R CA 0.869 57.048 56.100 0.131 0.000 0.976 786 R CB -0.337 30.122 30.300 0.266 0.000 0.870 786 R HN 0.072 nan 8.270 nan 0.000 0.445 787 V N 0.693 120.457 119.914 -0.250 0.000 2.287 787 V HA -0.258 3.862 4.120 -0.001 0.000 0.248 787 V C 2.214 178.309 176.094 0.002 0.000 1.053 787 V CA 2.008 64.033 62.300 -0.459 0.000 1.027 787 V CB -0.382 31.042 31.823 -0.665 0.000 0.646 787 V HN 0.286 nan 8.190 nan 0.000 0.447 788 S N -0.094 115.580 115.700 -0.044 0.000 2.368 788 S HA -0.141 4.328 4.470 -0.001 0.000 0.225 788 S C 2.216 176.889 174.600 0.121 0.000 1.030 788 S CA 1.316 59.521 58.200 0.008 0.000 0.999 788 S CB -0.475 62.696 63.200 -0.048 0.000 0.844 788 S HN 0.651 nan 8.310 nan 0.000 0.459 789 A N 1.214 124.108 122.820 0.123 0.000 1.908 789 A HA -0.086 4.234 4.320 -0.001 0.000 0.218 789 A C 2.109 179.819 177.584 0.210 0.000 1.181 789 A CA 1.436 53.563 52.037 0.151 0.000 0.627 789 A CB -0.673 18.405 19.000 0.130 0.000 0.818 789 A HN 0.428 nan 8.150 nan 0.000 0.445 790 L N -2.149 119.261 121.223 0.312 0.000 2.109 790 L HA -0.048 4.291 4.340 -0.001 0.000 0.207 790 L C 2.232 179.375 176.870 0.455 0.000 1.086 790 L CA 1.816 56.903 54.840 0.411 0.000 0.760 790 L CB -0.763 41.639 42.059 0.572 0.000 0.910 790 L HN 0.491 nan 8.230 nan 0.000 0.437 791 Y N 0.423 120.873 120.300 0.250 0.000 2.333 791 Y HA -0.248 4.302 4.550 -0.001 0.000 0.290 791 Y C 2.279 178.134 175.900 -0.076 0.000 1.144 791 Y CA 1.678 59.688 58.100 -0.150 0.000 1.228 791 Y CB -0.088 38.093 38.460 -0.466 0.000 0.985 791 Y HN 0.188 nan 8.280 nan 0.000 0.542 792 K N -0.250 120.224 120.400 0.125 0.000 2.360 792 K HA -0.155 4.165 4.320 -0.001 0.000 0.201 792 K C 0.401 177.003 176.600 0.004 0.000 1.046 792 K CA 0.810 57.142 56.287 0.076 0.000 0.945 792 K CB -0.147 32.426 32.500 0.122 0.000 0.750 792 K HN 0.076 nan 8.250 nan 0.000 0.464 793 N N 0.669 119.384 118.700 0.025 0.000 2.816 793 N HA 0.123 4.863 4.740 -0.001 0.000 0.236 793 N C -2.389 173.123 175.510 0.004 0.000 1.076 793 N CA -2.181 50.881 53.050 0.020 0.000 0.902 793 N CB 1.301 39.828 38.487 0.067 0.000 1.149 793 N HN -0.195 nan 8.380 nan 0.000 0.506 794 P HA -0.152 nan 4.420 nan 0.000 0.216 794 P C 1.394 178.697 177.300 0.006 0.000 1.153 794 P CA 1.061 64.091 63.100 -0.117 0.000 0.858 794 P CB 0.415 32.024 31.700 -0.153 0.000 0.789 795 R N 0.133 120.640 120.500 0.010 0.000 2.073 795 R HA -0.154 4.186 4.340 -0.001 0.000 0.234 795 R C 1.896 178.231 176.300 0.058 0.000 1.134 795 R CA 1.457 57.574 56.100 0.028 0.000 0.952 795 R CB -0.366 29.944 30.300 0.017 0.000 0.850 795 R HN 0.079 nan 8.270 nan 0.000 0.433 796 E N -0.134 120.110 120.200 0.074 0.000 2.216 796 E HA -0.198 4.151 4.350 -0.001 0.000 0.192 796 E C 1.576 178.240 176.600 0.106 0.000 0.988 796 E CA 0.493 56.938 56.400 0.075 0.000 0.834 796 E CB -0.396 29.346 29.700 0.070 0.000 0.772 796 E HN 0.513 nan 8.360 nan 0.000 0.479 797 W N 2.262 123.547 121.300 -0.025 0.000 2.333 797 W HA -0.191 4.468 4.660 -0.001 0.000 0.316 797 W C 1.594 178.100 176.519 -0.021 0.000 1.215 797 W CA 2.122 59.459 57.345 -0.014 0.000 1.278 797 W CB -0.441 28.970 29.460 -0.082 0.000 1.154 797 W HN 0.030 nan 8.180 nan 0.000 0.486 798 T N 1.168 115.844 114.554 0.202 0.000 2.788 798 T HA -0.175 4.174 4.350 -0.001 0.000 0.268 798 T C 1.859 176.560 174.700 0.003 0.000 1.044 798 T CA 1.695 63.848 62.100 0.089 0.000 1.139 798 T CB -0.297 68.608 68.868 0.061 0.000 0.867 798 T HN 0.179 nan 8.240 nan 0.000 0.454 799 R N 0.393 120.900 120.500 0.012 0.000 2.092 799 R HA 0.104 4.444 4.340 -0.001 0.000 0.231 799 R C 2.497 178.779 176.300 -0.031 0.000 1.119 799 R CA 1.153 57.259 56.100 0.011 0.000 0.970 799 R CB -0.334 29.980 30.300 0.023 0.000 0.864 799 R HN 0.365 nan 8.270 nan 0.000 0.440 800 M N 0.498 120.040 119.600 -0.097 0.000 2.175 800 M HA -0.132 4.348 4.480 -0.001 0.000 0.264 800 M C 1.894 178.084 176.300 -0.182 0.000 1.063 800 M CA 1.311 56.514 55.300 -0.162 0.000 1.119 800 M CB 0.210 32.653 32.600 -0.262 0.000 1.377 800 M HN -0.025 nan 8.290 nan 0.000 0.415 801 V N 0.779 120.569 119.914 -0.208 0.000 2.343 801 V HA -0.299 3.820 4.120 -0.001 0.000 0.247 801 V C 2.181 178.247 176.094 -0.046 0.000 1.051 801 V CA 1.917 64.126 62.300 -0.153 0.000 1.036 801 V CB -0.597 31.160 31.823 -0.110 0.000 0.654 801 V HN 0.500 nan 8.190 nan 0.000 0.451 802 I N -0.390 120.180 120.570 -0.001 0.000 2.264 802 I HA -0.269 3.901 4.170 -0.001 0.000 0.248 802 I C 2.657 178.822 176.117 0.080 0.000 1.111 802 I CA 1.626 62.980 61.300 0.089 0.000 1.382 802 I CB -0.413 37.690 38.000 0.170 0.000 1.060 802 I HN 0.216 nan 8.210 nan 0.000 0.418 803 R N 0.401 120.923 120.500 0.036 0.000 2.148 803 R HA -0.082 4.258 4.340 -0.001 0.000 0.227 803 R C 1.994 178.327 176.300 0.055 0.000 1.103 803 R CA 0.966 57.089 56.100 0.039 0.000 0.983 803 R CB -0.364 29.944 30.300 0.013 0.000 0.874 803 R HN 0.523 nan 8.270 nan 0.000 0.451 804 N N 0.711 119.427 118.700 0.027 0.000 2.132 804 N HA -0.058 4.681 4.740 -0.001 0.000 0.187 804 N C 1.950 177.515 175.510 0.092 0.000 1.038 804 N CA 1.065 54.150 53.050 0.057 0.000 0.846 804 N CB -0.020 38.435 38.487 -0.053 0.000 1.012 804 N HN 0.086 nan 8.380 nan 0.000 0.429 805 I N 1.822 122.433 120.570 0.068 0.000 2.151 805 I HA -0.270 3.899 4.170 -0.001 0.000 0.243 805 I C 2.424 178.598 176.117 0.094 0.000 1.080 805 I CA 1.091 62.441 61.300 0.084 0.000 1.339 805 I CB -0.340 37.705 38.000 0.075 0.000 1.039 805 I HN 0.108 nan 8.210 nan 0.000 0.409 806 A N 0.141 123.016 122.820 0.092 0.000 2.070 806 A HA -0.164 4.156 4.320 -0.001 0.000 0.220 806 A C 2.039 179.669 177.584 0.076 0.000 1.159 806 A CA 2.055 54.138 52.037 0.076 0.000 0.656 806 A CB -0.837 18.208 19.000 0.075 0.000 0.800 806 A HN 0.556 nan 8.150 nan 0.000 0.453 807 T N -3.280 111.337 114.554 0.106 0.000 3.182 807 T HA 0.186 4.536 4.350 -0.001 0.000 0.277 807 T C 1.152 175.966 174.700 0.191 0.000 1.013 807 T CA 0.621 62.792 62.100 0.119 0.000 0.900 807 T CB -0.180 68.761 68.868 0.122 0.000 1.098 807 T HN 0.481 nan 8.240 nan 0.000 0.543 808 S N 0.259 116.085 115.700 0.210 0.000 2.603 808 S HA 0.229 4.698 4.470 -0.001 0.000 0.220 808 S C 2.200 176.955 174.600 0.259 0.000 0.967 808 S CA 0.334 58.735 58.200 0.335 0.000 0.920 808 S CB -0.670 62.684 63.200 0.256 0.000 0.773 808 S HN 0.528 nan 8.310 nan 0.000 0.529 809 G N 2.557 111.421 108.800 0.108 0.000 2.450 809 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.220 809 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.220 809 G C 1.325 176.183 174.900 -0.070 0.000 1.130 809 G CA 0.978 46.103 45.100 0.041 0.000 0.760 809 G HN 0.627 nan 8.290 nan 0.000 0.557 810 K N -0.260 119.977 120.400 -0.273 0.000 2.211 810 K HA -0.060 4.260 4.320 -0.001 0.000 0.204 810 K C 1.268 177.522 176.600 -0.577 0.000 1.047 810 K CA 0.892 56.857 56.287 -0.535 0.000 0.935 810 K CB -0.258 31.722 32.500 -0.866 0.000 0.728 810 K HN 0.345 nan 8.250 nan 0.000 0.452 811 F N 0.911 120.895 119.950 0.057 0.000 2.692 811 F HA 0.186 4.713 4.527 -0.001 0.000 0.303 811 F C 0.825 176.674 175.800 0.081 0.000 1.114 811 F CA -0.301 57.738 58.000 0.066 0.000 1.361 811 F CB -0.017 39.019 39.000 0.060 0.000 1.063 811 F HN -0.142 nan 8.300 nan 0.000 0.550 812 S N 0.375 116.160 115.700 0.141 0.000 2.533 812 S HA 0.049 4.518 4.470 -0.001 0.000 0.282 812 S C 1.537 176.221 174.600 0.141 0.000 1.304 812 S CA 0.050 58.330 58.200 0.134 0.000 1.063 812 S CB 0.584 63.833 63.200 0.083 0.000 0.881 812 S HN 0.397 nan 8.310 nan 0.000 0.493 813 S N 3.434 119.243 115.700 0.182 0.000 2.500 813 S HA -0.098 4.372 4.470 -0.001 0.000 0.239 813 S C 1.017 175.684 174.600 0.111 0.000 0.989 813 S CA 0.849 59.179 58.200 0.217 0.000 0.951 813 S CB -0.339 63.052 63.200 0.319 0.000 0.759 813 S HN 0.787 nan 8.310 nan 0.000 0.523 814 D N 1.923 122.369 120.400 0.076 0.000 2.117 814 D HA -0.092 4.548 4.640 -0.001 0.000 0.197 814 D C 2.105 178.415 176.300 0.017 0.000 0.987 814 D CA 0.856 54.878 54.000 0.036 0.000 0.829 814 D CB -0.351 40.467 40.800 0.030 0.000 0.961 814 D HN 0.296 nan 8.370 nan 0.000 0.460 815 R N 0.775 121.286 120.500 0.020 0.000 2.073 815 R HA -0.093 4.247 4.340 -0.001 0.000 0.234 815 R C 1.894 178.191 176.300 -0.004 0.000 1.134 815 R CA 1.438 57.535 56.100 -0.005 0.000 0.952 815 R CB -0.788 29.495 30.300 -0.028 0.000 0.850 815 R HN 0.135 nan 8.270 nan 0.000 0.433 816 T N 2.224 116.800 114.554 0.038 0.000 2.652 816 T HA -0.128 4.222 4.350 -0.001 0.000 0.267 816 T C 1.942 176.652 174.700 0.016 0.000 1.039 816 T CA 1.430 63.574 62.100 0.073 0.000 1.153 816 T CB -0.141 68.861 68.868 0.223 0.000 0.863 816 T HN 0.112 nan 8.240 nan 0.000 0.428 817 I N 1.639 122.145 120.570 -0.107 0.000 2.286 817 I HA -0.102 4.067 4.170 -0.001 0.000 0.248 817 I C 2.932 179.005 176.117 -0.073 0.000 1.115 817 I CA 1.002 62.193 61.300 -0.182 0.000 1.392 817 I CB -1.585 36.300 38.000 -0.191 0.000 1.065 817 I HN 0.199 nan 8.210 nan 0.000 0.418 818 A N 0.246 123.043 122.820 -0.038 0.000 1.940 818 A HA -0.245 4.075 4.320 -0.001 0.000 0.219 818 A C 2.255 179.799 177.584 -0.066 0.000 1.176 818 A CA 1.492 53.513 52.037 -0.026 0.000 0.631 818 A CB -0.553 18.438 19.000 -0.015 0.000 0.814 818 A HN 0.511 nan 8.150 nan 0.000 0.446 819 Q N -1.768 117.975 119.800 -0.095 0.000 2.046 819 Q HA -0.180 4.159 4.340 -0.001 0.000 0.200 819 Q C 1.981 177.815 176.000 -0.276 0.000 0.975 819 Q CA 1.713 57.419 55.803 -0.161 0.000 0.836 819 Q CB -0.350 28.284 28.738 -0.173 0.000 0.896 819 Q HN 0.814 nan 8.270 nan 0.000 0.428 820 Y N 0.650 120.668 120.300 -0.471 0.000 2.114 820 Y HA -0.320 4.230 4.550 -0.001 0.000 0.282 820 Y C 2.491 177.825 175.900 -0.943 0.000 1.165 820 Y CA 1.389 58.959 58.100 -0.883 0.000 1.148 820 Y CB -0.477 37.158 38.460 -1.374 0.000 0.972 820 Y HN 0.177 nan 8.280 nan 0.000 0.504 821 A N 0.105 122.700 122.820 -0.375 0.000 1.877 821 A HA -0.212 4.107 4.320 -0.001 0.000 0.216 821 A C 2.206 179.809 177.584 0.031 0.000 1.186 821 A CA 2.014 54.078 52.037 0.045 0.000 0.620 821 A CB -0.536 18.576 19.000 0.187 0.000 0.822 821 A HN 0.438 nan 8.150 nan 0.000 0.443 822 R N -0.701 119.776 120.500 -0.037 0.000 2.093 822 R HA 0.012 4.352 4.340 -0.001 0.000 0.224 822 R C 1.792 178.070 176.300 -0.037 0.000 1.101 822 R CA 1.405 57.495 56.100 -0.017 0.000 0.979 822 R CB -0.115 30.170 30.300 -0.024 0.000 0.877 822 R HN 0.637 nan 8.270 nan 0.000 0.441 823 E N -0.575 119.563 120.200 -0.104 0.000 2.415 823 E HA 0.105 4.455 4.350 -0.001 0.000 0.197 823 E C 1.285 177.833 176.600 -0.086 0.000 1.007 823 E CA 0.443 56.784 56.400 -0.098 0.000 0.890 823 E CB 0.581 30.195 29.700 -0.143 0.000 0.891 823 E HN 0.288 nan 8.360 nan 0.000 0.496 824 I N -1.223 119.266 120.570 -0.136 0.000 3.739 824 I HA 0.021 4.190 4.170 -0.001 0.000 0.272 824 I C 1.240 177.486 176.117 0.215 0.000 1.167 824 I CA -0.088 61.189 61.300 -0.038 0.000 1.386 824 I CB 0.243 38.090 38.000 -0.254 0.000 1.490 824 I HN 0.116 nan 8.210 nan 0.000 0.452 825 W N 1.592 122.982 121.300 0.151 0.000 2.658 825 W HA 0.303 4.963 4.660 -0.001 0.000 0.263 825 W C 1.518 178.075 176.519 0.063 0.000 1.274 825 W CA 0.856 58.274 57.345 0.121 0.000 1.343 825 W CB -1.127 28.393 29.460 0.099 0.000 1.106 825 W HN 0.341 nan 8.180 nan 0.000 0.615 826 G N 1.141 110.081 108.800 0.233 0.000 2.225 826 G HA2 -0.126 3.834 3.960 -0.001 0.000 0.264 826 G HA3 -0.126 3.834 3.960 -0.001 0.000 0.264 826 G C -0.253 174.722 174.900 0.124 0.000 1.060 826 G CA 0.278 45.459 45.100 0.134 0.000 0.833 826 G HN 0.416 nan 8.290 nan 0.000 0.498 827 V N -3.407 116.603 119.914 0.159 0.000 2.914 827 V HA 0.946 5.066 4.120 -0.001 0.000 0.314 827 V C -0.308 175.848 176.094 0.102 0.000 1.084 827 V CA -1.337 61.036 62.300 0.121 0.000 0.963 827 V CB 2.287 34.187 31.823 0.128 0.000 1.025 827 V HN 0.445 nan 8.190 nan 0.000 0.432 828 E N 3.859 124.102 120.200 0.073 0.000 2.134 828 E HA 0.685 5.035 4.350 -0.001 0.000 0.278 828 E C -2.624 174.013 176.600 0.063 0.000 0.959 828 E CA -2.007 54.428 56.400 0.059 0.000 0.783 828 E CB 1.411 31.138 29.700 0.044 0.000 1.095 828 E HN 0.765 nan 8.360 nan 0.000 0.399 829 P HA 0.251 nan 4.420 nan 0.000 0.272 829 P C -1.166 176.165 177.300 0.052 0.000 1.230 829 P CA -0.587 62.549 63.100 0.060 0.000 0.788 829 P CB 1.107 32.838 31.700 0.052 0.000 0.949 830 S N 0.112 115.845 115.700 0.054 0.000 2.603 830 S HA 0.317 4.786 4.470 -0.001 0.000 0.274 830 S C 0.096 174.723 174.600 0.045 0.000 1.168 830 S CA -0.726 57.504 58.200 0.050 0.000 0.963 830 S CB 0.752 63.987 63.200 0.059 0.000 1.078 830 S HN 0.309 nan 8.310 nan 0.000 0.477 831 R N 2.199 122.721 120.500 0.037 0.000 2.388 831 R HA 0.172 4.512 4.340 -0.001 0.000 0.247 831 R C 0.025 176.338 176.300 0.022 0.000 0.931 831 R CA -0.101 56.019 56.100 0.034 0.000 1.082 831 R CB 0.239 30.561 30.300 0.037 0.000 1.135 831 R HN 0.624 nan 8.270 nan 0.000 0.525 832 Q N 2.095 121.907 119.800 0.020 0.000 2.330 832 Q HA -0.003 4.336 4.340 -0.001 0.000 0.279 832 Q C 0.065 176.058 176.000 -0.013 0.000 1.024 832 Q CA 0.376 56.183 55.803 0.007 0.000 0.900 832 Q CB 0.614 29.360 28.738 0.013 0.000 1.221 832 Q HN 0.245 nan 8.270 nan 0.000 0.396 833 R N 2.073 122.557 120.500 -0.027 0.000 2.490 833 R HA 0.403 4.742 4.340 -0.001 0.000 0.278 833 R C -0.764 175.493 176.300 -0.073 0.000 1.069 833 R CA -0.656 55.414 56.100 -0.050 0.000 1.080 833 R CB 0.544 30.813 30.300 -0.051 0.000 1.030 833 R HN 0.443 nan 8.270 nan 0.000 0.491 834 L N 2.728 123.887 121.223 -0.105 0.000 2.418 834 L HA 0.359 4.699 4.340 -0.001 0.000 0.265 834 L C -1.723 175.096 176.870 -0.086 0.000 1.143 834 L CA -2.306 52.451 54.840 -0.137 0.000 0.809 834 L CB 0.675 42.614 42.059 -0.200 0.000 1.124 834 L HN 0.543 nan 8.230 nan 0.000 0.456 835 P HA 0.000 nan 4.420 nan 0.000 0.216 835 P CA 0.000 63.075 63.100 -0.042 0.000 0.800 835 P CB 0.000 31.682 31.700 -0.030 0.000 0.726