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 3cuu_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXNVGG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.982 176.000 -0.030 0.000 1.003 12 Q CA 0.000 55.772 55.803 -0.051 0.000 1.022 12 Q CB 0.000 28.703 28.738 -0.058 0.000 1.108 13 I N -0.609 119.949 120.570 -0.021 0.000 2.525 13 I HA 0.539 4.700 4.170 -0.015 0.000 0.301 13 I C 0.841 176.957 176.117 -0.002 0.000 0.992 13 I CA -0.231 61.065 61.300 -0.007 0.000 1.162 13 I CB 2.003 40.003 38.000 0.001 0.000 1.332 13 I HN 0.203 nan 8.210 nan 0.000 0.458 14 S N 3.243 118.947 115.700 0.007 0.000 2.368 14 S HA -0.135 4.326 4.470 -0.015 0.000 0.224 14 S C 1.756 176.364 174.600 0.013 0.000 1.029 14 S CA 1.772 59.978 58.200 0.009 0.000 0.988 14 S CB -0.499 62.711 63.200 0.017 0.000 0.838 14 S HN 0.762 nan 8.310 nan 0.000 0.462 15 V N 0.073 120.001 119.914 0.024 0.000 3.026 15 V HA 0.094 4.205 4.120 -0.015 0.000 0.265 15 V C 1.862 177.969 176.094 0.020 0.000 1.121 15 V CA 1.350 63.667 62.300 0.029 0.000 1.142 15 V CB -1.009 30.838 31.823 0.040 0.000 0.730 15 V HN 0.367 nan 8.190 nan 0.000 0.503 16 R N 1.219 121.723 120.500 0.006 0.000 2.310 16 R HA 0.429 4.760 4.340 -0.015 0.000 0.202 16 R C 1.151 177.441 176.300 -0.017 0.000 0.933 16 R CA 0.557 56.654 56.100 -0.005 0.000 1.054 16 R CB -0.045 30.249 30.300 -0.011 0.000 0.985 16 R HN 0.777 nan 8.270 nan 0.000 0.489 17 G N 0.654 109.444 108.800 -0.017 0.000 2.728 17 G HA2 -0.216 3.735 3.960 -0.015 0.000 0.294 17 G HA3 -0.216 3.735 3.960 -0.015 0.000 0.294 17 G C -0.951 173.932 174.900 -0.028 0.000 1.342 17 G CA -1.083 43.999 45.100 -0.030 0.000 0.866 17 G HN -0.030 nan 8.290 nan 0.000 0.534 18 L N 0.484 121.689 121.223 -0.031 0.000 2.371 18 L HA 0.647 4.978 4.340 -0.015 0.000 0.272 18 L C 1.308 178.162 176.870 -0.027 0.000 1.124 18 L CA 0.482 55.306 54.840 -0.026 0.000 0.816 18 L CB 1.042 43.087 42.059 -0.023 0.000 1.129 18 L HN 1.545 nan 8.230 nan 0.000 0.448 19 A N 2.668 125.475 122.820 -0.023 0.000 3.158 19 A HA 0.571 4.882 4.320 -0.015 0.000 0.319 19 A C 0.709 178.287 177.584 -0.011 0.000 1.204 19 A CA -0.322 51.704 52.037 -0.019 0.000 0.992 19 A CB -0.432 18.555 19.000 -0.023 0.000 1.110 19 A HN 0.780 nan 8.150 nan 0.000 0.519 20 G N -0.363 108.432 108.800 -0.009 0.000 2.491 20 G HA2 0.346 4.296 3.960 -0.015 0.000 0.242 20 G HA3 0.346 4.296 3.960 -0.015 0.000 0.242 20 G C 1.041 175.944 174.900 0.005 0.000 1.266 20 G CA -0.068 45.031 45.100 -0.002 0.000 0.844 20 G HN 0.365 nan 8.290 nan 0.000 0.571 21 V N 1.587 121.506 119.914 0.007 0.000 2.282 21 V HA -0.217 3.894 4.120 -0.015 0.000 0.249 21 V C 2.747 178.852 176.094 0.017 0.000 1.057 21 V CA 2.549 64.856 62.300 0.012 0.000 1.032 21 V CB -0.605 31.224 31.823 0.010 0.000 0.645 21 V HN 0.868 nan 8.190 nan 0.000 0.447 22 E N 0.138 120.349 120.200 0.018 0.000 2.085 22 E HA -0.210 4.131 4.350 -0.015 0.000 0.194 22 E C 2.065 178.687 176.600 0.036 0.000 0.994 22 E CA 1.570 57.984 56.400 0.025 0.000 0.801 22 E CB -0.185 29.529 29.700 0.023 0.000 0.743 22 E HN 0.561 nan 8.360 nan 0.000 0.453 23 N N -0.833 117.886 118.700 0.031 0.000 2.171 23 N HA -0.101 4.630 4.740 -0.015 0.000 0.184 23 N C 1.616 177.152 175.510 0.042 0.000 1.021 23 N CA 0.985 54.059 53.050 0.040 0.000 0.854 23 N CB -0.104 38.392 38.487 0.014 0.000 0.994 23 N HN 0.015 nan 8.380 nan 0.000 0.426 24 V N 0.281 120.212 119.914 0.028 0.000 2.358 24 V HA -0.189 3.922 4.120 -0.015 0.000 0.246 24 V C 2.051 178.168 176.094 0.038 0.000 1.047 24 V CA 1.772 64.089 62.300 0.028 0.000 1.035 24 V CB -0.926 30.908 31.823 0.019 0.000 0.658 24 V HN 0.349 nan 8.190 nan 0.000 0.452 25 T N -0.568 114.009 114.554 0.038 0.000 2.746 25 T HA -0.212 4.129 4.350 -0.015 0.000 0.267 25 T C 1.934 176.670 174.700 0.061 0.000 1.039 25 T CA 1.785 63.910 62.100 0.042 0.000 1.142 25 T CB -0.180 68.708 68.868 0.033 0.000 0.866 25 T HN 0.454 nan 8.240 nan 0.000 0.444 26 E N 0.913 121.156 120.200 0.072 0.000 2.077 26 E HA -0.017 4.324 4.350 -0.015 0.000 0.193 26 E C 2.042 178.724 176.600 0.137 0.000 0.989 26 E CA 0.905 57.362 56.400 0.096 0.000 0.800 26 E CB -0.458 29.306 29.700 0.106 0.000 0.746 26 E HN 0.433 nan 8.360 nan 0.000 0.452 27 L N 0.122 121.432 121.223 0.145 0.000 2.046 27 L HA -0.172 4.159 4.340 -0.015 0.000 0.208 27 L C 2.438 179.422 176.870 0.190 0.000 1.077 27 L CA 1.399 56.350 54.840 0.184 0.000 0.747 27 L CB -0.340 41.798 42.059 0.131 0.000 0.896 27 L HN 0.053 nan 8.230 nan 0.000 0.432 28 K N 0.540 121.010 120.400 0.117 0.000 2.063 28 K HA -0.225 4.086 4.320 -0.015 0.000 0.208 28 K C 2.127 178.832 176.600 0.175 0.000 1.048 28 K CA 1.914 58.259 56.287 0.097 0.000 0.928 28 K CB -0.089 32.431 32.500 0.033 0.000 0.713 28 K HN 0.398 nan 8.250 nan 0.000 0.442 29 K N -0.036 120.450 120.400 0.143 0.000 2.167 29 K HA -0.006 4.305 4.320 -0.015 0.000 0.203 29 K C 1.548 178.243 176.600 0.158 0.000 1.052 29 K CA 1.110 57.478 56.287 0.135 0.000 0.956 29 K CB -0.048 32.503 32.500 0.086 0.000 0.735 29 K HN -0.010 nan 8.250 nan 0.000 0.451 30 N N 0.686 119.493 118.700 0.178 0.000 2.244 30 N HA -0.119 4.611 4.740 -0.015 0.000 0.183 30 N C 1.566 177.249 175.510 0.288 0.000 1.016 30 N CA 0.968 54.124 53.050 0.177 0.000 0.866 30 N CB -0.260 38.347 38.487 0.199 0.000 0.980 30 N HN 0.219 nan 8.380 nan 0.000 0.430 31 F N 2.508 122.571 119.950 0.189 0.000 2.102 31 F HA -0.110 4.408 4.527 -0.015 0.000 0.298 31 F C 2.042 177.958 175.800 0.192 0.000 1.105 31 F CA 1.288 59.412 58.000 0.206 0.000 1.239 31 F CB -0.135 38.955 39.000 0.150 0.000 0.991 31 F HN -0.026 nan 8.300 nan 0.000 0.474 32 N N 0.481 119.423 118.700 0.404 0.000 2.188 32 N HA -0.184 4.546 4.740 -0.015 0.000 0.184 32 N C 2.029 177.631 175.510 0.154 0.000 1.018 32 N CA 1.152 54.358 53.050 0.261 0.000 0.858 32 N CB -0.544 38.074 38.487 0.218 0.000 0.989 32 N HN 0.363 nan 8.380 nan 0.000 0.426 33 R N 0.403 120.995 120.500 0.153 0.000 2.080 33 R HA -0.135 4.196 4.340 -0.015 0.000 0.236 33 R C 1.890 178.282 176.300 0.153 0.000 1.137 33 R CA 1.639 57.855 56.100 0.194 0.000 0.943 33 R CB -0.253 30.081 30.300 0.056 0.000 0.846 33 R HN 0.388 nan 8.270 nan 0.000 0.431 34 H N -0.473 118.643 119.070 0.075 0.000 2.387 34 H HA -0.129 4.418 4.556 -0.015 0.000 0.299 34 H C 1.882 177.147 175.328 -0.105 0.000 1.090 34 H CA 1.471 57.494 56.048 -0.041 0.000 1.332 34 H CB 0.029 29.728 29.762 -0.105 0.000 1.386 34 H HN 0.142 nan 8.280 nan 0.000 0.516 35 L N -0.062 121.143 121.223 -0.030 0.000 2.042 35 L HA -0.202 4.129 4.340 -0.015 0.000 0.210 35 L C 2.208 179.060 176.870 -0.029 0.000 1.076 35 L CA 1.914 56.706 54.840 -0.080 0.000 0.749 35 L CB -0.443 41.574 42.059 -0.071 0.000 0.893 35 L HN 0.302 nan 8.230 nan 0.000 0.432 36 H N -1.727 117.270 119.070 -0.121 0.000 2.276 36 H HA -0.048 4.499 4.556 -0.015 0.000 0.307 36 H C 1.814 176.955 175.328 -0.311 0.000 1.061 36 H CA 2.232 58.119 56.048 -0.267 0.000 1.336 36 H CB -0.307 29.206 29.762 -0.416 0.000 1.396 36 H HN 0.291 nan 8.280 nan 0.000 0.503 37 F N -0.371 119.545 119.950 -0.057 0.000 2.234 37 F HA -0.033 4.485 4.527 -0.015 0.000 0.296 37 F C 2.603 178.315 175.800 -0.147 0.000 1.089 37 F CA 1.460 59.381 58.000 -0.132 0.000 1.343 37 F CB -0.406 38.551 39.000 -0.071 0.000 1.040 37 F HN 0.177 nan 8.300 nan 0.000 0.498 38 T N -0.242 114.336 114.554 0.040 0.000 2.939 38 T HA 0.075 4.416 4.350 -0.015 0.000 0.254 38 T C 1.880 176.490 174.700 -0.149 0.000 1.041 38 T CA 0.854 62.907 62.100 -0.078 0.000 1.142 38 T CB -0.208 68.587 68.868 -0.122 0.000 0.874 38 T HN 0.111 nan 8.240 nan 0.000 0.452 39 L N 0.993 122.133 121.223 -0.137 0.000 2.554 39 L HA 0.238 4.569 4.340 -0.015 0.000 0.225 39 L C 0.262 177.044 176.870 -0.147 0.000 1.104 39 L CA -0.133 54.617 54.840 -0.150 0.000 0.866 39 L CB 0.175 42.156 42.059 -0.131 0.000 1.047 39 L HN -0.053 nan 8.230 nan 0.000 0.468 40 V N 0.629 120.438 119.914 -0.175 0.000 5.949 40 V HA -0.282 3.829 4.120 -0.015 0.000 0.287 40 V C -0.094 175.900 176.094 -0.167 0.000 0.603 40 V CA 1.109 63.281 62.300 -0.213 0.000 0.608 40 V CB -2.220 29.501 31.823 -0.170 0.000 0.259 40 V HN 0.410 nan 8.190 nan 0.000 0.742 41 K N 1.039 121.349 120.400 -0.149 0.000 2.512 41 K HA 0.722 5.033 4.320 -0.015 0.000 0.263 41 K C -0.575 176.008 176.600 -0.029 0.000 0.966 41 K CA -0.545 55.688 56.287 -0.090 0.000 0.851 41 K CB 2.879 35.321 32.500 -0.097 0.000 1.395 41 K HN 0.498 nan 8.250 nan 0.000 0.440 42 D N -0.497 119.906 120.400 0.004 0.000 2.497 42 D HA 0.309 4.940 4.640 -0.015 0.000 0.243 42 D C 0.650 176.990 176.300 0.067 0.000 1.039 42 D CA -0.677 53.357 54.000 0.057 0.000 1.052 42 D CB 0.886 41.722 40.800 0.060 0.000 1.344 42 D HN 0.110 nan 8.370 nan 0.000 0.553 43 R N 0.021 120.590 120.500 0.115 0.000 2.303 43 R HA -0.037 4.294 4.340 -0.015 0.000 0.225 43 R C 0.828 177.205 176.300 0.127 0.000 1.114 43 R CA 0.547 56.753 56.100 0.176 0.000 1.007 43 R CB -0.674 29.733 30.300 0.178 0.000 0.861 43 R HN 0.508 nan 8.270 nan 0.000 0.471 44 N N 0.061 118.804 118.700 0.071 0.000 2.376 44 N HA -0.076 4.655 4.740 -0.015 0.000 0.177 44 N C 1.648 177.178 175.510 0.033 0.000 1.024 44 N CA 1.294 54.375 53.050 0.051 0.000 0.893 44 N CB 0.295 38.802 38.487 0.033 0.000 0.980 44 N HN 0.219 nan 8.380 nan 0.000 0.439 45 V N -2.569 117.352 119.914 0.012 0.000 3.605 45 V HA 0.502 4.613 4.120 -0.015 0.000 0.284 45 V C 0.872 176.937 176.094 -0.050 0.000 1.386 45 V CA -0.475 61.818 62.300 -0.012 0.000 1.053 45 V CB -0.416 31.395 31.823 -0.020 0.000 0.857 45 V HN 0.042 nan 8.190 nan 0.000 0.436 46 A N 2.511 125.279 122.820 -0.087 0.000 2.488 46 A HA 0.531 4.842 4.320 -0.015 0.000 0.249 46 A C 0.800 178.214 177.584 -0.284 0.000 1.083 46 A CA 0.793 52.667 52.037 -0.272 0.000 0.768 46 A CB -0.323 18.385 19.000 -0.487 0.000 1.017 46 A HN 0.783 nan 8.150 nan 0.000 0.496 47 T N 0.737 115.132 114.554 -0.265 0.000 2.912 47 T HA 0.528 4.869 4.350 -0.015 0.000 0.280 47 T C -2.047 172.564 174.700 -0.149 0.000 0.989 47 T CA -1.704 60.320 62.100 -0.127 0.000 0.995 47 T CB 0.992 69.834 68.868 -0.043 0.000 1.077 47 T HN 0.277 nan 8.240 nan 0.000 0.531 48 P HA -0.081 nan 4.420 nan 0.000 0.217 48 P C 1.598 179.005 177.300 0.178 0.000 1.148 48 P CA 0.882 64.125 63.100 0.237 0.000 0.828 48 P CB 0.054 31.855 31.700 0.168 0.000 0.783 49 R N 0.127 120.676 120.500 0.082 0.000 2.081 49 R HA -0.135 4.196 4.340 -0.015 0.000 0.235 49 R C 1.699 178.155 176.300 0.260 0.000 1.131 49 R CA 1.772 57.949 56.100 0.127 0.000 0.960 49 R CB -0.693 29.623 30.300 0.025 0.000 0.856 49 R HN 0.100 nan 8.270 nan 0.000 0.436 50 D N -0.352 120.102 120.400 0.091 0.000 2.123 50 D HA -0.202 4.428 4.640 -0.015 0.000 0.196 50 D C 1.721 178.040 176.300 0.032 0.000 0.992 50 D CA 1.355 55.366 54.000 0.018 0.000 0.833 50 D CB -0.278 40.393 40.800 -0.215 0.000 0.954 50 D HN 0.315 nan 8.370 nan 0.000 0.455 51 Y N 0.171 120.578 120.300 0.177 0.000 2.200 51 Y HA -0.206 4.335 4.550 -0.015 0.000 0.290 51 Y C 2.348 178.391 175.900 0.238 0.000 1.137 51 Y CA 0.323 58.577 58.100 0.256 0.000 1.163 51 Y CB -1.205 37.453 38.460 0.330 0.000 0.988 51 Y HN 0.073 nan 8.280 nan 0.000 0.518 52 Y N -0.389 120.046 120.300 0.225 0.000 2.114 52 Y HA -0.318 4.222 4.550 -0.015 0.000 0.282 52 Y C 2.024 177.895 175.900 -0.048 0.000 1.165 52 Y CA 1.437 59.561 58.100 0.040 0.000 1.148 52 Y CB -1.175 37.197 38.460 -0.146 0.000 0.972 52 Y HN 0.067 nan 8.280 nan 0.000 0.504 53 F N 0.066 119.817 119.950 -0.332 0.000 2.171 53 F HA -0.138 4.380 4.527 -0.015 0.000 0.300 53 F C 2.636 178.263 175.800 -0.289 0.000 1.090 53 F CA 1.157 58.888 58.000 -0.448 0.000 1.293 53 F CB -0.712 38.200 39.000 -0.148 0.000 1.013 53 F HN 0.209 nan 8.300 nan 0.000 0.486 54 A N -0.211 122.554 122.820 -0.093 0.000 1.902 54 A HA -0.182 4.129 4.320 -0.015 0.000 0.217 54 A C 2.035 179.504 177.584 -0.192 0.000 1.181 54 A CA 1.477 53.334 52.037 -0.299 0.000 0.623 54 A CB -0.958 17.509 19.000 -0.889 0.000 0.818 54 A HN 0.339 nan 8.150 nan 0.000 0.443 55 L N -0.235 120.993 121.223 0.008 0.000 2.027 55 L HA -0.027 4.304 4.340 -0.015 0.000 0.206 55 L C 2.716 179.572 176.870 -0.024 0.000 1.074 55 L CA 2.120 57.073 54.840 0.189 0.000 0.745 55 L CB -0.969 41.265 42.059 0.292 0.000 0.898 55 L HN 0.351 nan 8.230 nan 0.000 0.433 56 A N -1.218 121.414 122.820 -0.313 0.000 1.883 56 A HA -0.302 4.008 4.320 -0.015 0.000 0.217 56 A C 2.166 179.398 177.584 -0.586 0.000 1.186 56 A CA 2.145 53.870 52.037 -0.519 0.000 0.624 56 A CB -1.126 17.248 19.000 -1.042 0.000 0.822 56 A HN 0.680 nan 8.150 nan 0.000 0.444 57 H N -0.952 117.807 119.070 -0.518 0.000 2.389 57 H HA -0.055 4.492 4.556 -0.015 0.000 0.299 57 H C 2.370 177.413 175.328 -0.475 0.000 1.081 57 H CA 1.931 57.594 56.048 -0.641 0.000 1.345 57 H CB -0.134 29.010 29.762 -1.031 0.000 1.393 57 H HN 0.472 nan 8.280 nan 0.000 0.520 58 T N -0.266 114.216 114.554 -0.121 0.000 2.708 58 T HA -0.139 4.202 4.350 -0.015 0.000 0.266 58 T C 2.248 177.116 174.700 0.281 0.000 1.037 58 T CA 1.356 63.583 62.100 0.211 0.000 1.146 58 T CB -0.381 68.681 68.868 0.323 0.000 0.865 58 T HN 0.093 nan 8.240 nan 0.000 0.435 59 V N 1.564 121.610 119.914 0.220 0.000 2.358 59 V HA -0.118 3.993 4.120 -0.015 0.000 0.246 59 V C 2.621 178.901 176.094 0.310 0.000 1.047 59 V CA 1.577 64.048 62.300 0.285 0.000 1.035 59 V CB -0.634 31.350 31.823 0.268 0.000 0.658 59 V HN 0.378 nan 8.190 nan 0.000 0.452 60 R N 0.310 120.941 120.500 0.219 0.000 2.105 60 R HA -0.226 4.105 4.340 -0.015 0.000 0.239 60 R C 1.906 178.315 176.300 0.182 0.000 1.135 60 R CA 2.118 58.343 56.100 0.208 0.000 0.967 60 R CB -0.439 29.824 30.300 -0.062 0.000 0.861 60 R HN 0.479 nan 8.270 nan 0.000 0.442 61 D N -0.171 120.321 120.400 0.153 0.000 2.182 61 D HA -0.166 4.464 4.640 -0.015 0.000 0.201 61 D C 1.673 177.984 176.300 0.019 0.000 0.986 61 D CA 1.107 55.164 54.000 0.095 0.000 0.847 61 D CB -0.347 40.502 40.800 0.081 0.000 0.942 61 D HN 0.486 nan 8.370 nan 0.000 0.467 62 H N -0.282 118.855 119.070 0.111 0.000 2.495 62 H HA 0.071 4.618 4.556 -0.015 0.000 0.287 62 H C 2.200 177.572 175.328 0.072 0.000 1.033 62 H CA 0.340 56.437 56.048 0.081 0.000 1.307 62 H CB 0.366 30.167 29.762 0.065 0.000 1.401 62 H HN 0.194 nan 8.280 nan 0.000 0.555 63 L N -0.187 121.149 121.223 0.188 0.000 2.179 63 L HA -0.094 4.237 4.340 -0.015 0.000 0.208 63 L C 2.545 179.528 176.870 0.189 0.000 1.096 63 L CA 0.227 55.147 54.840 0.132 0.000 0.779 63 L CB -0.093 42.017 42.059 0.084 0.000 0.922 63 L HN 0.020 nan 8.230 nan 0.000 0.443 64 V N 0.260 120.299 119.914 0.209 0.000 2.255 64 V HA -0.250 3.861 4.120 -0.015 0.000 0.247 64 V C 2.632 178.834 176.094 0.179 0.000 1.051 64 V CA 2.160 64.611 62.300 0.252 0.000 1.018 64 V CB -1.294 30.634 31.823 0.174 0.000 0.641 64 V HN 0.570 nan 8.190 nan 0.000 0.445 65 G N -0.242 108.620 108.800 0.103 0.000 2.491 65 G HA2 -0.292 3.659 3.960 -0.015 0.000 0.218 65 G HA3 -0.292 3.659 3.960 -0.015 0.000 0.218 65 G C 1.734 176.678 174.900 0.073 0.000 1.180 65 G CA 1.071 46.208 45.100 0.062 0.000 0.774 65 G HN 0.454 nan 8.290 nan 0.000 0.562 66 R N -1.474 119.079 120.500 0.089 0.000 2.081 66 R HA -0.067 4.264 4.340 -0.015 0.000 0.235 66 R C 2.261 178.641 176.300 0.133 0.000 1.131 66 R CA 1.194 57.335 56.100 0.067 0.000 0.960 66 R CB -0.391 29.933 30.300 0.040 0.000 0.856 66 R HN 0.490 nan 8.270 nan 0.000 0.436 67 W N 1.503 122.781 121.300 -0.036 0.000 2.355 67 W HA -0.088 4.563 4.660 -0.015 0.000 0.309 67 W C 1.711 178.201 176.519 -0.048 0.000 1.206 67 W CA 0.990 58.311 57.345 -0.040 0.000 1.284 67 W CB -0.636 28.817 29.460 -0.011 0.000 1.145 67 W HN -0.025 nan 8.180 nan 0.000 0.502 68 I N 1.008 121.626 120.570 0.080 0.000 2.226 68 I HA -0.346 3.815 4.170 -0.015 0.000 0.245 68 I C 2.690 178.788 176.117 -0.032 0.000 1.100 68 I CA 2.055 63.320 61.300 -0.059 0.000 1.374 68 I CB -0.590 37.380 38.000 -0.051 0.000 1.057 68 I HN 0.001 nan 8.210 nan 0.000 0.413 69 R N 0.144 120.642 120.500 -0.004 0.000 2.153 69 R HA -0.026 4.305 4.340 -0.015 0.000 0.218 69 R C 1.910 178.175 176.300 -0.058 0.000 1.072 69 R CA 1.385 57.474 56.100 -0.019 0.000 0.990 69 R CB -1.086 29.205 30.300 -0.015 0.000 0.889 69 R HN 0.164 nan 8.270 nan 0.000 0.452 70 T N 1.644 116.139 114.554 -0.098 0.000 2.674 70 T HA -0.108 4.233 4.350 -0.015 0.000 0.265 70 T C 1.810 176.253 174.700 -0.428 0.000 1.039 70 T CA 1.346 63.273 62.100 -0.288 0.000 1.150 70 T CB -0.126 68.609 68.868 -0.220 0.000 0.864 70 T HN 0.221 nan 8.240 nan 0.000 0.427 71 Q N 1.267 120.968 119.800 -0.166 0.000 2.124 71 Q HA -0.140 4.191 4.340 -0.015 0.000 0.202 71 Q C 2.535 178.560 176.000 0.043 0.000 0.977 71 Q CA 1.409 57.196 55.803 -0.026 0.000 0.850 71 Q CB -0.567 28.177 28.738 0.009 0.000 0.901 71 Q HN 0.815 nan 8.270 nan 0.000 0.429 72 Q N -0.531 119.276 119.800 0.013 0.000 2.167 72 Q HA -0.208 4.123 4.340 -0.015 0.000 0.202 72 Q C 1.797 177.876 176.000 0.132 0.000 0.970 72 Q CA 1.621 57.470 55.803 0.076 0.000 0.855 72 Q CB -0.523 28.233 28.738 0.030 0.000 0.911 72 Q HN 0.476 nan 8.270 nan 0.000 0.438 73 H N 0.067 119.108 119.070 -0.048 0.000 2.352 73 H HA -0.182 4.365 4.556 -0.015 0.000 0.299 73 H C 1.184 176.563 175.328 0.085 0.000 1.097 73 H CA 2.277 58.301 56.048 -0.040 0.000 1.311 73 H CB -0.191 29.476 29.762 -0.159 0.000 1.377 73 H HN 0.322 nan 8.280 nan 0.000 0.504 74 Y N -1.139 119.225 120.300 0.106 0.000 2.293 74 Y HA -0.167 4.374 4.550 -0.015 0.000 0.291 74 Y C 2.340 178.276 175.900 0.061 0.000 1.137 74 Y CA 0.975 59.109 58.100 0.056 0.000 1.202 74 Y CB -1.225 37.319 38.460 0.140 0.000 0.990 74 Y HN 0.378 nan 8.280 nan 0.000 0.537 75 Y N 1.161 121.545 120.300 0.140 0.000 2.200 75 Y HA -0.153 4.388 4.550 -0.015 0.000 0.290 75 Y C 2.056 177.965 175.900 0.014 0.000 1.137 75 Y CA 1.583 59.728 58.100 0.075 0.000 1.163 75 Y CB 0.053 38.550 38.460 0.061 0.000 0.988 75 Y HN -0.018 nan 8.280 nan 0.000 0.518 76 E N 0.516 120.720 120.200 0.007 0.000 2.028 76 E HA -0.136 4.205 4.350 -0.015 0.000 0.190 76 E C 1.960 178.464 176.600 -0.160 0.000 0.984 76 E CA 1.242 57.584 56.400 -0.095 0.000 0.800 76 E CB -0.317 29.370 29.700 -0.021 0.000 0.758 76 E HN 0.465 nan 8.360 nan 0.000 0.448 77 K N 0.788 121.070 120.400 -0.198 0.000 2.366 77 K HA -0.080 4.231 4.320 -0.015 0.000 0.198 77 K C -0.064 176.471 176.600 -0.108 0.000 1.044 77 K CA 0.512 56.693 56.287 -0.176 0.000 0.973 77 K CB -0.057 32.277 32.500 -0.276 0.000 0.767 77 K HN 0.035 nan 8.250 nan 0.000 0.475 78 D N 1.106 121.450 120.400 -0.094 0.000 2.740 78 D HA -0.106 4.525 4.640 -0.015 0.000 0.231 78 D C -2.401 173.873 176.300 -0.043 0.000 1.194 78 D CA 0.037 53.994 54.000 -0.072 0.000 0.673 78 D CB -0.081 40.644 40.800 -0.125 0.000 0.995 78 D HN 0.166 nan 8.370 nan 0.000 0.411 79 P HA 0.102 nan 4.420 nan 0.000 0.276 79 P C -0.187 177.076 177.300 -0.062 0.000 1.261 79 P CA -0.594 62.480 63.100 -0.045 0.000 0.800 79 P CB 0.610 32.279 31.700 -0.052 0.000 1.066 80 K N 1.329 121.694 120.400 -0.059 0.000 2.451 80 K HA 0.021 4.332 4.320 -0.015 0.000 0.280 80 K C 0.137 176.648 176.600 -0.148 0.000 1.020 80 K CA -0.068 56.173 56.287 -0.075 0.000 1.008 80 K CB 0.266 32.738 32.500 -0.047 0.000 0.917 80 K HN 0.290 nan 8.250 nan 0.000 0.478 81 R N 4.387 124.780 120.500 -0.179 0.000 2.428 81 R HA 0.350 4.681 4.340 -0.015 0.000 0.294 81 R C -0.159 175.841 176.300 -0.500 0.000 1.000 81 R CA -0.820 55.084 56.100 -0.326 0.000 0.960 81 R CB 0.724 30.832 30.300 -0.319 0.000 1.076 81 R HN 0.502 nan 8.270 nan 0.000 0.475 82 I N 3.555 123.778 120.570 -0.578 0.000 2.339 82 I HA 0.261 4.422 4.170 -0.015 0.000 0.290 82 I C -0.446 175.342 176.117 -0.548 0.000 0.994 82 I CA -1.077 59.836 61.300 -0.644 0.000 1.191 82 I CB 0.510 38.005 38.000 -0.842 0.000 1.343 82 I HN 0.426 nan 8.210 nan 0.000 0.458 83 Y N 5.841 126.103 120.300 -0.063 0.000 2.402 83 Y HA 0.285 4.826 4.550 -0.015 0.000 0.332 83 Y C -0.261 175.737 175.900 0.164 0.000 0.960 83 Y CA -0.734 57.451 58.100 0.143 0.000 1.228 83 Y CB 0.993 39.497 38.460 0.073 0.000 1.120 83 Y HN 0.403 nan 8.280 nan 0.000 0.491 84 Y N 4.552 125.031 120.300 0.297 0.000 2.518 84 Y HA 0.460 5.001 4.550 -0.015 0.000 0.344 84 Y C -1.164 175.003 175.900 0.444 0.000 0.982 84 Y CA -0.867 57.421 58.100 0.313 0.000 1.234 84 Y CB 0.233 38.880 38.460 0.310 0.000 1.114 84 Y HN 0.515 nan 8.280 nan 0.000 0.515 85 L N 5.045 126.327 121.223 0.099 0.000 2.265 85 L HA 0.467 4.798 4.340 -0.015 0.000 0.288 85 L C -0.181 176.713 176.870 0.040 0.000 1.058 85 L CA 0.192 55.144 54.840 0.187 0.000 0.809 85 L CB 1.286 43.419 42.059 0.123 0.000 1.179 85 L HN 0.563 nan 8.230 nan 0.000 0.429 86 S N 2.620 118.419 115.700 0.165 0.000 2.541 86 S HA 0.481 4.942 4.470 -0.015 0.000 0.271 86 S C 0.344 175.016 174.600 0.120 0.000 1.133 86 S CA -0.636 57.552 58.200 -0.019 0.000 0.876 86 S CB 1.060 64.017 63.200 -0.405 0.000 1.105 86 S HN 0.493 nan 8.310 nan 0.000 0.470 87 L N 2.201 123.532 121.223 0.180 0.000 2.558 87 L HA 0.372 4.703 4.340 -0.015 0.000 0.225 87 L C 0.200 177.255 176.870 0.308 0.000 1.128 87 L CA 1.166 56.187 54.840 0.301 0.000 0.868 87 L CB -0.650 41.606 42.059 0.329 0.000 1.006 87 L HN 0.702 nan 8.230 nan 0.000 0.454 88 E N -0.828 119.415 120.200 0.071 0.000 2.275 88 E HA 0.377 4.718 4.350 -0.015 0.000 0.270 88 E C -1.516 174.937 176.600 -0.246 0.000 0.882 88 E CA -0.373 56.055 56.400 0.047 0.000 0.758 88 E CB 2.046 31.762 29.700 0.027 0.000 1.195 88 E HN -0.146 nan 8.360 nan 0.000 0.419 89 F N 2.272 122.327 119.950 0.174 0.000 2.771 89 F HA 0.173 4.691 4.527 -0.015 0.000 0.365 89 F C -0.781 175.101 175.800 0.137 0.000 1.169 89 F CA -0.795 57.294 58.000 0.148 0.000 1.093 89 F CB 0.925 40.001 39.000 0.127 0.000 1.363 89 F HN 0.489 nan 8.300 nan 0.000 0.496 90 Y N 5.226 125.597 120.300 0.119 0.000 2.632 90 Y HA 0.203 4.744 4.550 -0.015 0.000 0.336 90 Y C 0.953 176.868 175.900 0.025 0.000 1.237 90 Y CA -0.976 57.144 58.100 0.034 0.000 1.595 90 Y CB 0.304 38.764 38.460 0.001 0.000 1.508 90 Y HN 0.553 nan 8.280 nan 0.000 0.480 91 M N 1.601 121.345 119.600 0.240 0.000 2.236 91 M HA 0.113 4.583 4.480 -0.015 0.000 0.266 91 M C 1.573 177.851 176.300 -0.037 0.000 1.070 91 M CA 1.139 56.478 55.300 0.065 0.000 1.137 91 M CB -1.222 31.389 32.600 0.017 0.000 1.378 91 M HN 0.694 nan 8.290 nan 0.000 0.426 92 G N 1.205 110.000 108.800 -0.008 0.000 2.562 92 G HA2 -0.262 3.688 3.960 -0.015 0.000 0.250 92 G HA3 -0.262 3.688 3.960 -0.015 0.000 0.250 92 G C -0.267 174.590 174.900 -0.072 0.000 1.269 92 G CA -0.358 44.695 45.100 -0.078 0.000 0.919 92 G HN 0.443 nan 8.290 nan 0.000 0.574 93 R N -0.607 119.831 120.500 -0.104 0.000 2.582 93 R HA 0.538 4.869 4.340 -0.015 0.000 0.271 93 R C 0.964 177.150 176.300 -0.191 0.000 1.078 93 R CA 0.337 56.385 56.100 -0.088 0.000 1.127 93 R CB 0.640 30.896 30.300 -0.073 0.000 1.038 93 R HN 0.532 nan 8.270 nan 0.000 0.500 94 T N 1.139 115.534 114.554 -0.265 0.000 2.978 94 T HA -0.008 4.333 4.350 -0.015 0.000 0.248 94 T C 1.479 175.790 174.700 -0.648 0.000 1.018 94 T CA -0.144 61.586 62.100 -0.617 0.000 1.026 94 T CB 0.139 68.285 68.868 -1.204 0.000 1.032 94 T HN 0.327 nan 8.240 nan 0.000 0.485 95 L N 1.957 123.032 121.223 -0.246 0.000 1.955 95 L HA -0.039 4.292 4.340 -0.015 0.000 0.213 95 L C 2.488 179.320 176.870 -0.063 0.000 1.072 95 L CA 2.035 56.886 54.840 0.017 0.000 0.755 95 L CB -0.673 41.598 42.059 0.354 0.000 0.888 95 L HN 0.177 nan 8.230 nan 0.000 0.432 96 Q N -0.786 118.978 119.800 -0.061 0.000 2.084 96 Q HA -0.254 4.077 4.340 -0.015 0.000 0.202 96 Q C 2.218 178.145 176.000 -0.122 0.000 0.978 96 Q CA 1.861 57.621 55.803 -0.071 0.000 0.844 96 Q CB -0.327 28.367 28.738 -0.073 0.000 0.898 96 Q HN 0.697 nan 8.270 nan 0.000 0.426 97 N N -1.016 117.571 118.700 -0.189 0.000 2.166 97 N HA -0.139 4.592 4.740 -0.015 0.000 0.186 97 N C 1.289 176.684 175.510 -0.191 0.000 1.019 97 N CA 1.740 54.667 53.050 -0.206 0.000 0.856 97 N CB 0.083 38.412 38.487 -0.263 0.000 0.993 97 N HN 0.233 nan 8.380 nan 0.000 0.426 98 T N 1.161 115.567 114.554 -0.247 0.000 2.777 98 T HA -0.030 4.311 4.350 -0.015 0.000 0.266 98 T C 2.068 176.701 174.700 -0.112 0.000 1.040 98 T CA 0.942 62.914 62.100 -0.215 0.000 1.141 98 T CB -0.039 68.647 68.868 -0.304 0.000 0.868 98 T HN 0.252 nan 8.240 nan 0.000 0.444 99 M N 0.639 120.190 119.600 -0.080 0.000 2.117 99 M HA -0.090 4.381 4.480 -0.015 0.000 0.262 99 M C 2.478 178.744 176.300 -0.056 0.000 1.065 99 M CA 1.269 56.537 55.300 -0.053 0.000 1.114 99 M CB -0.654 31.930 32.600 -0.026 0.000 1.361 99 M HN 0.092 nan 8.290 nan 0.000 0.408 100 V N 0.956 120.842 119.914 -0.047 0.000 2.287 100 V HA -0.282 3.829 4.120 -0.015 0.000 0.248 100 V C 1.763 177.874 176.094 0.028 0.000 1.053 100 V CA 2.001 64.301 62.300 -0.000 0.000 1.027 100 V CB -0.906 30.916 31.823 -0.002 0.000 0.646 100 V HN 0.477 nan 8.190 nan 0.000 0.447 101 N N -0.448 118.251 118.700 -0.002 0.000 2.459 101 N HA -0.034 4.697 4.740 -0.015 0.000 0.181 101 N C 1.068 176.488 175.510 -0.149 0.000 1.046 101 N CA 0.683 53.719 53.050 -0.024 0.000 0.904 101 N CB -0.066 38.408 38.487 -0.022 0.000 0.964 101 N HN 0.287 nan 8.380 nan 0.000 0.444 102 L N -0.348 120.802 121.223 -0.122 0.000 2.693 102 L HA 0.415 4.746 4.340 -0.015 0.000 0.235 102 L C 0.520 177.308 176.870 -0.136 0.000 1.127 102 L CA -0.234 54.531 54.840 -0.124 0.000 0.914 102 L CB -0.695 41.313 42.059 -0.085 0.000 1.193 102 L HN 0.090 nan 8.230 nan 0.000 0.502 103 A N -0.463 122.276 122.820 -0.136 0.000 2.846 103 A HA -0.211 4.100 4.320 -0.015 0.000 0.287 103 A C 0.996 178.523 177.584 -0.095 0.000 1.469 103 A CA 0.932 52.900 52.037 -0.115 0.000 0.757 103 A CB -1.920 16.997 19.000 -0.138 0.000 1.033 103 A HN 0.207 nan 8.150 nan 0.000 0.516 104 L N -0.842 120.325 121.223 -0.092 0.000 2.766 104 L HA 0.264 4.595 4.340 -0.015 0.000 0.242 104 L C 1.821 178.654 176.870 -0.062 0.000 1.136 104 L CA 1.471 56.250 54.840 -0.102 0.000 0.933 104 L CB -0.236 41.735 42.059 -0.147 0.000 1.241 104 L HN 0.630 nan 8.230 nan 0.000 0.522 105 E N -0.212 119.961 120.200 -0.045 0.000 2.077 105 E HA -0.220 4.121 4.350 -0.015 0.000 0.193 105 E C 1.487 178.073 176.600 -0.023 0.000 0.989 105 E CA 1.215 57.599 56.400 -0.027 0.000 0.800 105 E CB 0.324 30.011 29.700 -0.022 0.000 0.746 105 E HN 0.400 nan 8.360 nan 0.000 0.452 106 N N 0.083 118.766 118.700 -0.029 0.000 2.171 106 N HA -0.086 4.645 4.740 -0.015 0.000 0.184 106 N C 1.561 177.054 175.510 -0.028 0.000 1.021 106 N CA 1.164 54.196 53.050 -0.030 0.000 0.854 106 N CB -0.339 38.129 38.487 -0.031 0.000 0.994 106 N HN 0.197 nan 8.380 nan 0.000 0.426 107 A N 0.524 123.325 122.820 -0.030 0.000 1.883 107 A HA -0.165 4.146 4.320 -0.015 0.000 0.217 107 A C 2.660 180.236 177.584 -0.013 0.000 1.186 107 A CA 1.496 53.518 52.037 -0.025 0.000 0.624 107 A CB -1.089 17.888 19.000 -0.039 0.000 0.822 107 A HN 0.446 nan 8.150 nan 0.000 0.444 108 C N -0.864 118.428 119.300 -0.013 0.000 2.425 108 C HA -0.077 4.373 4.460 -0.015 0.000 0.277 108 C C 2.473 177.467 174.990 0.006 0.000 1.280 108 C CA 1.070 60.093 59.018 0.008 0.000 1.744 108 C CB -1.199 26.556 27.740 0.026 0.000 1.989 108 C HN 0.668 nan 8.230 nan 0.000 0.491 109 D N 0.623 121.025 120.400 0.003 0.000 2.104 109 D HA -0.145 4.486 4.640 -0.015 0.000 0.194 109 D C 2.133 178.447 176.300 0.022 0.000 0.994 109 D CA 1.547 55.551 54.000 0.006 0.000 0.830 109 D CB -0.279 40.512 40.800 -0.014 0.000 0.959 109 D HN 0.478 nan 8.370 nan 0.000 0.452 110 E N 0.310 120.514 120.200 0.006 0.000 2.051 110 E HA -0.069 4.271 4.350 -0.015 0.000 0.192 110 E C 1.887 178.524 176.600 0.062 0.000 0.991 110 E CA 1.670 58.089 56.400 0.032 0.000 0.799 110 E CB -0.584 29.117 29.700 0.002 0.000 0.748 110 E HN 0.197 nan 8.360 nan 0.000 0.449 111 A N -0.150 122.677 122.820 0.012 0.000 1.908 111 A HA -0.212 4.099 4.320 -0.015 0.000 0.218 111 A C 2.484 180.005 177.584 -0.105 0.000 1.181 111 A CA 2.858 54.879 52.037 -0.027 0.000 0.627 111 A CB -1.416 17.573 19.000 -0.019 0.000 0.818 111 A HN 0.525 nan 8.150 nan 0.000 0.445 112 T N -3.818 110.669 114.554 -0.111 0.000 2.857 112 T HA -0.189 4.152 4.350 -0.015 0.000 0.266 112 T C 1.849 176.472 174.700 -0.129 0.000 1.048 112 T CA 1.430 63.405 62.100 -0.209 0.000 1.139 112 T CB -0.606 68.175 68.868 -0.144 0.000 0.874 112 T HN 0.448 nan 8.240 nan 0.000 0.455 113 Y N 2.222 122.444 120.300 -0.130 0.000 2.128 113 Y HA -0.169 4.373 4.550 -0.014 0.000 0.284 113 Y C 2.688 178.527 175.900 -0.103 0.000 1.154 113 Y CA 1.779 59.820 58.100 -0.098 0.000 1.149 113 Y CB -0.530 37.891 38.460 -0.064 0.000 0.976 113 Y HN 0.245 nan 8.280 nan 0.000 0.505 114 Q N -0.948 118.809 119.800 -0.072 0.000 2.170 114 Q HA -0.147 4.184 4.340 -0.015 0.000 0.203 114 Q C 1.682 177.564 176.000 -0.196 0.000 0.976 114 Q CA 1.089 56.809 55.803 -0.137 0.000 0.858 114 Q CB -0.119 28.605 28.738 -0.023 0.000 0.907 114 Q HN 0.358 nan 8.270 nan 0.000 0.433 115 L N -0.906 120.181 121.223 -0.226 0.000 2.610 115 L HA 0.091 4.421 4.340 -0.015 0.000 0.232 115 L C 1.204 177.909 176.870 -0.275 0.000 1.149 115 L CA 1.422 56.108 54.840 -0.257 0.000 0.872 115 L CB -0.568 41.251 42.059 -0.401 0.000 0.992 115 L HN 0.357 nan 8.230 nan 0.000 0.447 116 G N -0.463 108.155 108.800 -0.303 0.000 2.142 116 G HA2 -0.234 3.717 3.960 -0.015 0.000 0.225 116 G HA3 -0.234 3.717 3.960 -0.015 0.000 0.225 116 G C 0.059 174.807 174.900 -0.252 0.000 1.015 116 G CA 0.169 45.094 45.100 -0.290 0.000 0.716 116 G HN 0.280 nan 8.290 nan 0.000 0.508 117 L N -0.257 120.816 121.223 -0.250 0.000 2.341 117 L HA 0.640 4.971 4.340 -0.015 0.000 0.267 117 L C -0.544 176.282 176.870 -0.075 0.000 1.009 117 L CA -1.193 53.531 54.840 -0.194 0.000 0.819 117 L CB 1.867 43.751 42.059 -0.292 0.000 1.323 117 L HN 0.075 nan 8.230 nan 0.000 0.425 118 D N 1.691 122.079 120.400 -0.021 0.000 2.359 118 D HA 0.196 4.827 4.640 -0.015 0.000 0.230 118 D C 0.629 176.954 176.300 0.042 0.000 1.118 118 D CA -0.206 53.814 54.000 0.033 0.000 0.844 118 D CB 1.503 42.329 40.800 0.043 0.000 1.059 118 D HN 0.491 nan 8.370 nan 0.000 0.493 119 M N 3.087 122.715 119.600 0.047 0.000 2.159 119 M HA -0.138 4.333 4.480 -0.015 0.000 0.263 119 M C 1.314 177.655 176.300 0.069 0.000 1.063 119 M CA 1.512 56.849 55.300 0.062 0.000 1.110 119 M CB 0.193 32.823 32.600 0.051 0.000 1.374 119 M HN 0.440 nan 8.290 nan 0.000 0.411 120 E N -0.155 120.077 120.200 0.053 0.000 2.110 120 E HA -0.264 4.077 4.350 -0.015 0.000 0.193 120 E C 1.860 178.490 176.600 0.051 0.000 0.988 120 E CA 1.480 57.908 56.400 0.047 0.000 0.804 120 E CB -0.213 29.512 29.700 0.042 0.000 0.745 120 E HN 0.645 nan 8.360 nan 0.000 0.458 121 E N 0.527 120.761 120.200 0.056 0.000 2.106 121 E HA -0.194 4.147 4.350 -0.015 0.000 0.192 121 E C 1.965 178.602 176.600 0.060 0.000 0.984 121 E CA 0.573 57.006 56.400 0.055 0.000 0.806 121 E CB 0.172 29.906 29.700 0.057 0.000 0.750 121 E HN 0.077 nan 8.360 nan 0.000 0.458 122 L N 1.475 122.755 121.223 0.094 0.000 2.093 122 L HA -0.130 4.201 4.340 -0.015 0.000 0.208 122 L C 2.117 179.043 176.870 0.093 0.000 1.085 122 L CA 1.628 56.556 54.840 0.146 0.000 0.755 122 L CB -0.755 41.442 42.059 0.230 0.000 0.904 122 L HN 0.140 nan 8.230 nan 0.000 0.435 123 E N -0.627 119.620 120.200 0.078 0.000 2.118 123 E HA -0.205 4.136 4.350 -0.015 0.000 0.195 123 E C 1.819 178.378 176.600 -0.068 0.000 0.992 123 E CA 0.916 57.334 56.400 0.031 0.000 0.804 123 E CB 0.013 29.736 29.700 0.038 0.000 0.741 123 E HN 0.399 nan 8.360 nan 0.000 0.458 124 E N 0.124 120.297 120.200 -0.044 0.000 2.409 124 E HA -0.119 4.222 4.350 -0.015 0.000 0.198 124 E C 1.770 178.300 176.600 -0.116 0.000 1.024 124 E CA 0.566 56.938 56.400 -0.046 0.000 0.861 124 E CB 0.057 29.765 29.700 0.014 0.000 0.788 124 E HN 0.414 nan 8.360 nan 0.000 0.521 125 I N 0.655 121.085 120.570 -0.232 0.000 2.716 125 I HA -0.081 4.080 4.170 -0.015 0.000 0.259 125 I C 1.327 177.118 176.117 -0.543 0.000 1.172 125 I CA 0.167 61.256 61.300 -0.351 0.000 1.478 125 I CB 0.186 37.972 38.000 -0.356 0.000 1.104 125 I HN -0.050 nan 8.210 nan 0.000 0.439 126 E N 2.788 122.562 120.200 -0.711 0.000 2.376 126 E HA -0.033 4.308 4.350 -0.015 0.000 0.266 126 E C -0.234 176.277 176.600 -0.149 0.000 1.009 126 E CA -0.254 55.812 56.400 -0.558 0.000 0.902 126 E CB 0.602 30.098 29.700 -0.339 0.000 0.972 126 E HN 0.094 nan 8.360 nan 0.000 0.439 127 E N 3.497 123.704 120.200 0.011 0.000 2.373 127 E HA 0.028 4.369 4.350 -0.015 0.000 0.267 127 E C -0.754 175.946 176.600 0.167 0.000 1.032 127 E CA -0.082 56.409 56.400 0.151 0.000 0.889 127 E CB 0.561 30.449 29.700 0.312 0.000 0.984 127 E HN 0.480 nan 8.360 nan 0.000 0.425 128 D N 0.898 121.368 120.400 0.117 0.000 2.493 128 D HA 0.114 4.745 4.640 -0.015 0.000 0.240 128 D C -0.236 176.091 176.300 0.044 0.000 1.142 128 D CA 0.264 54.308 54.000 0.074 0.000 0.872 128 D CB 0.501 41.337 40.800 0.060 0.000 1.173 128 D HN 0.383 nan 8.370 nan 0.000 0.467 129 A N 2.743 125.538 122.820 -0.042 0.000 2.666 129 A HA 0.437 4.748 4.320 -0.015 0.000 0.301 129 A C 1.125 178.526 177.584 -0.305 0.000 1.470 129 A CA -0.340 51.437 52.037 -0.433 0.000 1.159 129 A CB -0.345 18.482 19.000 -0.289 0.000 1.116 129 A HN 0.561 nan 8.150 nan 0.000 0.548 130 G N 2.089 110.650 108.800 -0.398 0.000 3.741 130 G HA2 0.400 4.351 3.960 -0.015 0.000 0.263 130 G HA3 0.400 4.351 3.960 -0.015 0.000 0.263 130 G C 0.331 174.943 174.900 -0.481 0.000 1.175 130 G CA -0.322 44.595 45.100 -0.305 0.000 1.642 130 G HN 0.698 nan 8.290 nan 0.000 0.644 131 L N 1.380 122.393 121.223 -0.351 0.000 2.939 131 L HA 0.370 4.700 4.340 -0.015 0.000 0.239 131 L C 1.041 177.837 176.870 -0.123 0.000 1.325 131 L CA -0.198 54.566 54.840 -0.127 0.000 1.170 131 L CB -0.362 41.749 42.059 0.086 0.000 1.538 131 L HN 0.326 nan 8.230 nan 0.000 0.452 132 G N -1.359 107.139 108.800 -0.503 0.000 2.623 132 G HA2 0.180 4.131 3.960 -0.015 0.000 0.290 132 G HA3 0.180 4.131 3.960 -0.015 0.000 0.290 132 G C -0.119 174.384 174.900 -0.660 0.000 1.437 132 G CA -0.470 44.359 45.100 -0.452 0.000 0.798 132 G HN -0.100 nan 8.290 nan 0.000 0.488 133 N N -0.723 117.814 118.700 -0.271 0.000 2.305 133 N HA 0.196 4.927 4.740 -0.015 0.000 0.179 133 N C 1.195 176.724 175.510 0.032 0.000 1.019 133 N CA 1.439 54.403 53.050 -0.143 0.000 0.869 133 N CB 0.955 39.438 38.487 -0.007 0.000 1.000 133 N HN 0.855 nan 8.380 nan 0.000 0.431 134 G N -0.893 108.003 108.800 0.161 0.000 2.725 134 G HA2 0.212 4.163 3.960 -0.015 0.000 0.098 134 G HA3 0.212 4.163 3.960 -0.015 0.000 0.098 134 G C 0.667 175.672 174.900 0.175 0.000 1.188 134 G CA 0.224 45.460 45.100 0.227 0.000 1.237 134 G HN 0.165 nan 8.290 nan 0.000 0.596 135 G N 0.277 109.132 108.800 0.092 0.000 2.418 135 G HA2 0.015 3.966 3.960 -0.015 0.000 0.217 135 G HA3 0.015 3.966 3.960 -0.015 0.000 0.217 135 G C 1.861 176.752 174.900 -0.016 0.000 1.158 135 G CA 1.432 46.551 45.100 0.032 0.000 0.771 135 G HN 0.756 nan 8.290 nan 0.000 0.545 136 L N 0.595 121.787 121.223 -0.051 0.000 2.027 136 L HA 0.118 4.448 4.340 -0.015 0.000 0.206 136 L C 2.799 179.592 176.870 -0.128 0.000 1.074 136 L CA 1.952 56.671 54.840 -0.201 0.000 0.745 136 L CB -0.563 41.337 42.059 -0.267 0.000 0.898 136 L HN 0.216 nan 8.230 nan 0.000 0.433 137 G N -0.622 108.168 108.800 -0.017 0.000 2.408 137 G HA2 -0.302 3.649 3.960 -0.015 0.000 0.217 137 G HA3 -0.302 3.649 3.960 -0.015 0.000 0.217 137 G C 1.642 176.607 174.900 0.108 0.000 1.150 137 G CA 0.703 45.823 45.100 0.033 0.000 0.776 137 G HN 0.300 nan 8.290 nan 0.000 0.542 138 R N -0.046 120.533 120.500 0.131 0.000 2.115 138 R HA 0.149 4.480 4.340 -0.015 0.000 0.226 138 R C 2.290 178.592 176.300 0.003 0.000 1.100 138 R CA 0.702 56.855 56.100 0.089 0.000 0.980 138 R CB -0.829 29.484 30.300 0.023 0.000 0.875 138 R HN 0.330 nan 8.270 nan 0.000 0.445 139 L N 0.150 121.306 121.223 -0.112 0.000 2.046 139 L HA -0.011 4.320 4.340 -0.015 0.000 0.208 139 L C 2.078 178.653 176.870 -0.492 0.000 1.077 139 L CA 2.139 56.772 54.840 -0.346 0.000 0.747 139 L CB -0.830 40.980 42.059 -0.415 0.000 0.896 139 L HN 0.251 nan 8.230 nan 0.000 0.432 140 A N -0.553 122.112 122.820 -0.258 0.000 1.908 140 A HA -0.183 4.128 4.320 -0.015 0.000 0.218 140 A C 2.451 180.094 177.584 0.098 0.000 1.181 140 A CA 2.004 53.965 52.037 -0.127 0.000 0.627 140 A CB -1.210 17.692 19.000 -0.162 0.000 0.818 140 A HN 0.571 nan 8.150 nan 0.000 0.445 141 A N -1.073 121.840 122.820 0.154 0.000 1.877 141 A HA -0.175 4.136 4.320 -0.015 0.000 0.216 141 A C 2.325 179.985 177.584 0.126 0.000 1.186 141 A CA 1.700 53.846 52.037 0.181 0.000 0.620 141 A CB -1.310 17.784 19.000 0.156 0.000 0.822 141 A HN 0.609 nan 8.150 nan 0.000 0.443 142 C N -1.579 117.801 119.300 0.134 0.000 2.425 142 C HA -0.060 4.391 4.460 -0.015 0.000 0.277 142 C C 2.426 177.584 174.990 0.280 0.000 1.280 142 C CA 0.611 59.748 59.018 0.199 0.000 1.744 142 C CB -1.634 26.252 27.740 0.243 0.000 1.989 142 C HN 0.600 nan 8.230 nan 0.000 0.491 143 F N 1.221 121.151 119.950 -0.033 0.000 2.102 143 F HA -0.078 4.440 4.527 -0.015 0.000 0.298 143 F C 2.245 177.981 175.800 -0.107 0.000 1.105 143 F CA 1.082 59.011 58.000 -0.120 0.000 1.239 143 F CB -1.333 37.458 39.000 -0.348 0.000 0.991 143 F HN 0.180 nan 8.300 nan 0.000 0.474 144 L N -0.383 120.908 121.223 0.112 0.000 2.042 144 L HA -0.261 4.069 4.340 -0.015 0.000 0.210 144 L C 2.145 179.015 176.870 -0.001 0.000 1.076 144 L CA 1.988 56.844 54.840 0.028 0.000 0.749 144 L CB -0.785 41.285 42.059 0.019 0.000 0.893 144 L HN 0.124 nan 8.230 nan 0.000 0.432 145 D N -0.537 119.874 120.400 0.019 0.000 2.097 145 D HA -0.167 4.464 4.640 -0.015 0.000 0.195 145 D C 2.197 178.504 176.300 0.011 0.000 0.989 145 D CA 1.443 55.441 54.000 -0.004 0.000 0.827 145 D CB 0.208 41.005 40.800 -0.005 0.000 0.966 145 D HN 0.087 nan 8.370 nan 0.000 0.456 146 S N -0.671 115.049 115.700 0.035 0.000 2.383 146 S HA -0.098 4.363 4.470 -0.015 0.000 0.227 146 S C 1.985 176.586 174.600 0.001 0.000 1.026 146 S CA 0.824 59.036 58.200 0.019 0.000 0.981 146 S CB -0.214 62.997 63.200 0.018 0.000 0.818 146 S HN 0.342 nan 8.310 nan 0.000 0.472 147 M N 0.970 120.563 119.600 -0.011 0.000 2.159 147 M HA -0.090 4.381 4.480 -0.015 0.000 0.263 147 M C 2.440 178.732 176.300 -0.013 0.000 1.063 147 M CA 1.407 56.699 55.300 -0.014 0.000 1.110 147 M CB -0.485 32.090 32.600 -0.041 0.000 1.374 147 M HN 0.398 nan 8.290 nan 0.000 0.411 148 A N -0.368 122.441 122.820 -0.019 0.000 1.897 148 A HA -0.106 4.204 4.320 -0.015 0.000 0.215 148 A C 2.155 179.745 177.584 0.009 0.000 1.181 148 A CA 1.915 53.944 52.037 -0.013 0.000 0.620 148 A CB -0.995 17.980 19.000 -0.042 0.000 0.821 148 A HN 0.411 nan 8.150 nan 0.000 0.443 149 T N 0.276 114.841 114.554 0.019 0.000 2.867 149 T HA 0.021 4.361 4.350 -0.015 0.000 0.268 149 T C 1.298 176.021 174.700 0.039 0.000 1.057 149 T CA 1.028 63.154 62.100 0.043 0.000 1.136 149 T CB -0.250 68.652 68.868 0.057 0.000 0.874 149 T HN 0.336 nan 8.240 nan 0.000 0.466 150 L N 0.536 121.778 121.223 0.031 0.000 2.653 150 L HA 0.306 4.637 4.340 -0.015 0.000 0.231 150 L C 1.586 178.482 176.870 0.043 0.000 1.153 150 L CA -0.123 54.738 54.840 0.035 0.000 0.933 150 L CB -0.423 41.656 42.059 0.034 0.000 1.175 150 L HN 0.384 nan 8.230 nan 0.000 0.473 151 G N 1.208 110.036 108.800 0.046 0.000 2.249 151 G HA2 -0.287 3.663 3.960 -0.015 0.000 0.273 151 G HA3 -0.287 3.663 3.960 -0.015 0.000 0.273 151 G C 0.095 175.042 174.900 0.078 0.000 1.036 151 G CA 0.065 45.210 45.100 0.074 0.000 0.824 151 G HN 0.293 nan 8.290 nan 0.000 0.504 152 L N -0.153 121.086 121.223 0.026 0.000 2.350 152 L HA 0.604 4.935 4.340 -0.015 0.000 0.275 152 L C 1.190 177.940 176.870 -0.200 0.000 1.099 152 L CA -0.380 54.428 54.840 -0.052 0.000 0.808 152 L CB 1.610 43.648 42.059 -0.035 0.000 1.149 152 L HN 0.266 nan 8.230 nan 0.000 0.442 153 A N 3.213 125.777 122.820 -0.428 0.000 2.981 153 A HA 0.559 4.870 4.320 -0.015 0.000 0.280 153 A C 0.286 177.496 177.584 -0.623 0.000 1.743 153 A CA -0.146 51.335 52.037 -0.927 0.000 1.430 153 A CB -0.627 17.699 19.000 -1.124 0.000 1.085 153 A HN 0.703 nan 8.150 nan 0.000 0.597 154 A N 1.714 124.206 122.820 -0.546 0.000 2.350 154 A HA 0.793 5.104 4.320 -0.015 0.000 0.324 154 A C -1.072 176.218 177.584 -0.490 0.000 1.118 154 A CA -0.463 51.331 52.037 -0.406 0.000 0.783 154 A CB 0.815 19.663 19.000 -0.253 0.000 1.236 154 A HN 0.627 nan 8.150 nan 0.000 0.457 155 Y N 0.387 120.622 120.300 -0.108 0.000 2.373 155 Y HA 0.529 5.070 4.550 -0.015 0.000 0.336 155 Y C 0.857 176.837 175.900 0.133 0.000 0.979 155 Y CA -0.534 57.576 58.100 0.017 0.000 1.080 155 Y CB 2.389 40.961 38.460 0.186 0.000 1.190 155 Y HN 0.834 nan 8.280 nan 0.000 0.446 156 G N 2.437 111.303 108.800 0.109 0.000 2.339 156 G HA2 0.403 4.354 3.960 -0.015 0.000 0.287 156 G HA3 0.403 4.354 3.960 -0.015 0.000 0.287 156 G C -1.617 173.273 174.900 -0.017 0.000 1.163 156 G CA -0.171 45.007 45.100 0.130 0.000 0.872 156 G HN 0.526 nan 8.290 nan 0.000 0.464 157 Y N 1.317 121.856 120.300 0.400 0.000 2.341 157 Y HA 0.625 5.166 4.550 -0.015 0.000 0.338 157 Y C 0.805 177.041 175.900 0.561 0.000 0.965 157 Y CA 0.240 58.552 58.100 0.354 0.000 1.108 157 Y CB 2.610 41.292 38.460 0.370 0.000 1.180 157 Y HN 0.850 nan 8.280 nan 0.000 0.458 158 G N 2.367 111.515 108.800 0.580 0.000 2.753 158 G HA2 0.594 4.544 3.960 -0.015 0.000 0.303 158 G HA3 0.594 4.544 3.960 -0.015 0.000 0.303 158 G C -1.733 173.408 174.900 0.401 0.000 1.242 158 G CA -0.804 44.651 45.100 0.591 0.000 0.810 158 G HN 0.423 nan 8.290 nan 0.000 0.515 159 I N 0.492 121.185 120.570 0.205 0.000 2.474 159 I HA 0.443 4.604 4.170 -0.015 0.000 0.294 159 I C 0.143 176.146 176.117 -0.190 0.000 1.005 159 I CA -0.755 60.551 61.300 0.010 0.000 1.113 159 I CB 2.318 40.160 38.000 -0.264 0.000 1.289 159 I HN 0.348 nan 8.210 nan 0.000 0.436 160 R N 5.863 126.352 120.500 -0.017 0.000 2.608 160 R HA 0.247 4.578 4.340 -0.015 0.000 0.277 160 R C -1.308 175.020 176.300 0.046 0.000 1.341 160 R CA -0.446 55.673 56.100 0.032 0.000 1.199 160 R CB -0.005 30.297 30.300 0.004 0.000 1.156 160 R HN 0.389 nan 8.270 nan 0.000 0.558 161 Y N 1.531 121.984 120.300 0.256 0.000 2.442 161 Y HA -0.066 4.475 4.550 -0.015 0.000 0.330 161 Y C 1.576 177.646 175.900 0.284 0.000 1.129 161 Y CA -0.014 58.225 58.100 0.233 0.000 1.365 161 Y CB 0.824 39.400 38.460 0.193 0.000 1.233 161 Y HN 0.592 nan 8.280 nan 0.000 0.529 162 E N 2.200 122.563 120.200 0.272 0.000 2.106 162 E HA -0.077 4.264 4.350 -0.015 0.000 0.192 162 E C -0.736 175.731 176.600 -0.222 0.000 0.984 162 E CA 0.767 57.123 56.400 -0.074 0.000 0.806 162 E CB 0.158 29.708 29.700 -0.249 0.000 0.750 162 E HN 0.514 nan 8.360 nan 0.000 0.458 163 F N -0.206 119.959 119.950 0.358 0.000 2.460 163 F HA 0.442 4.960 4.527 -0.015 0.000 0.341 163 F C 0.756 176.647 175.800 0.152 0.000 1.130 163 F CA -0.875 57.293 58.000 0.281 0.000 0.962 163 F CB 1.844 40.939 39.000 0.158 0.000 1.171 163 F HN -0.101 nan 8.300 nan 0.000 0.436 164 G N 1.858 110.772 108.800 0.189 0.000 2.494 164 G HA2 0.348 4.299 3.960 -0.015 0.000 0.270 164 G HA3 0.348 4.299 3.960 -0.015 0.000 0.270 164 G C -0.467 174.387 174.900 -0.076 0.000 1.423 164 G CA -0.732 44.315 45.100 -0.088 0.000 1.055 164 G HN 0.574 nan 8.290 nan 0.000 0.536 165 I N 0.750 121.186 120.570 -0.224 0.000 2.845 165 I HA 0.154 4.314 4.170 -0.015 0.000 0.296 165 I C 0.591 176.612 176.117 -0.161 0.000 1.216 165 I CA -0.939 60.207 61.300 -0.256 0.000 1.438 165 I CB -0.309 37.431 38.000 -0.434 0.000 1.342 165 I HN 0.336 nan 8.210 nan 0.000 0.577 166 F N 6.324 126.281 119.950 0.012 0.000 2.595 166 F HA 0.257 4.775 4.527 -0.015 0.000 0.359 166 F C 0.533 176.382 175.800 0.081 0.000 1.147 166 F CA -0.657 57.373 58.000 0.051 0.000 1.341 166 F CB -0.338 38.682 39.000 0.033 0.000 1.104 166 F HN 0.428 nan 8.300 nan 0.000 0.603 167 N N 2.501 121.378 118.700 0.295 0.000 2.470 167 N HA 0.019 4.750 4.740 -0.015 0.000 0.268 167 N C -0.697 175.062 175.510 0.414 0.000 1.136 167 N CA -0.175 53.028 53.050 0.255 0.000 0.961 167 N CB 1.050 39.670 38.487 0.221 0.000 1.067 167 N HN 0.755 nan 8.380 nan 0.000 0.468 168 Q N 2.653 122.668 119.800 0.359 0.000 2.296 168 Q HA 0.129 4.460 4.340 -0.015 0.000 0.257 168 Q C -0.907 175.267 176.000 0.291 0.000 0.942 168 Q CA -0.344 55.708 55.803 0.415 0.000 0.939 168 Q CB 0.599 29.588 28.738 0.418 0.000 1.198 168 Q HN 0.194 nan 8.270 nan 0.000 0.429 169 K N 4.180 124.725 120.400 0.241 0.000 2.164 169 K HA 0.449 4.760 4.320 -0.015 0.000 0.258 169 K C -0.554 176.145 176.600 0.164 0.000 0.951 169 K CA -0.854 55.548 56.287 0.192 0.000 0.844 169 K CB 1.462 34.054 32.500 0.153 0.000 1.099 169 K HN 0.628 nan 8.250 nan 0.000 0.435 170 I N 1.971 122.628 120.570 0.145 0.000 2.312 170 I HA 0.162 4.323 4.170 -0.015 0.000 0.290 170 I C -0.090 176.079 176.117 0.088 0.000 1.008 170 I CA -0.764 60.590 61.300 0.091 0.000 1.226 170 I CB 0.870 38.905 38.000 0.059 0.000 1.371 170 I HN 0.440 nan 8.210 nan 0.000 0.468 171 C N 5.055 124.418 119.300 0.104 0.000 2.346 171 C HA 0.623 5.074 4.460 -0.015 0.000 0.326 171 C C 1.134 176.222 174.990 0.164 0.000 1.224 171 C CA 0.178 59.265 59.018 0.115 0.000 1.408 171 C CB -0.028 27.778 27.740 0.110 0.000 2.089 171 C HN 1.097 nan 8.230 nan 0.000 0.456 172 G N 4.021 112.888 108.800 0.112 0.000 2.283 172 G HA2 0.068 4.019 3.960 -0.015 0.000 0.280 172 G HA3 0.068 4.019 3.960 -0.015 0.000 0.280 172 G C 1.216 176.109 174.900 -0.011 0.000 1.029 172 G CA 1.196 46.366 45.100 0.115 0.000 0.840 172 G HN 2.572 nan 8.290 nan 0.000 0.505 173 G N -2.857 105.882 108.800 -0.101 0.000 2.179 173 G HA2 -0.304 3.646 3.960 -0.015 0.000 0.260 173 G HA3 -0.304 3.646 3.960 -0.015 0.000 0.260 173 G C 0.379 175.020 174.900 -0.432 0.000 0.977 173 G CA 0.655 45.570 45.100 -0.308 0.000 0.641 173 G HN 1.184 nan 8.290 nan 0.000 0.533 174 W N 1.024 122.269 121.300 -0.091 0.000 2.438 174 W HA 0.636 5.287 4.660 -0.015 0.000 0.324 174 W C 0.685 177.152 176.519 -0.086 0.000 1.119 174 W CA -0.854 56.432 57.345 -0.097 0.000 1.221 174 W CB 0.849 30.267 29.460 -0.069 0.000 1.253 174 W HN 0.279 nan 8.180 nan 0.000 0.555 175 Q N 3.623 123.517 119.800 0.156 0.000 2.289 175 Q HA 0.180 4.511 4.340 -0.015 0.000 0.273 175 Q C -0.525 175.532 176.000 0.095 0.000 1.029 175 Q CA 0.218 56.086 55.803 0.108 0.000 0.896 175 Q CB 0.520 29.315 28.738 0.096 0.000 1.182 175 Q HN 0.325 nan 8.270 nan 0.000 0.385 176 M N 3.227 122.877 119.600 0.084 0.000 2.456 176 M HA 0.384 4.855 4.480 -0.015 0.000 0.324 176 M C -1.014 175.290 176.300 0.005 0.000 1.124 176 M CA -0.699 54.617 55.300 0.026 0.000 0.959 176 M CB 1.694 34.322 32.600 0.047 0.000 1.692 176 M HN 0.604 nan 8.290 nan 0.000 0.444 177 E N 1.820 121.944 120.200 -0.126 0.000 2.191 177 E HA 0.448 4.789 4.350 -0.015 0.000 0.278 177 E C -0.675 175.908 176.600 -0.028 0.000 0.972 177 E CA -0.545 55.737 56.400 -0.198 0.000 0.804 177 E CB 1.448 30.745 29.700 -0.671 0.000 1.110 177 E HN 0.528 nan 8.360 nan 0.000 0.394 178 E N 0.914 121.182 120.200 0.112 0.000 2.317 178 E HA 0.731 5.072 4.350 -0.015 0.000 0.270 178 E C -1.030 175.657 176.600 0.145 0.000 0.885 178 E CA -1.530 54.926 56.400 0.094 0.000 0.760 178 E CB 1.451 31.212 29.700 0.102 0.000 1.227 178 E HN 0.445 nan 8.360 nan 0.000 0.434 179 A N 1.997 124.856 122.820 0.065 0.000 2.540 179 A HA 0.060 4.371 4.320 -0.015 0.000 0.239 179 A C -0.151 177.591 177.584 0.263 0.000 1.061 179 A CA 0.215 52.291 52.037 0.065 0.000 0.758 179 A CB -0.005 18.872 19.000 -0.205 0.000 0.991 179 A HN 0.706 nan 8.150 nan 0.000 0.502 180 D N 1.495 122.126 120.400 0.386 0.000 2.494 180 D HA 0.234 4.865 4.640 -0.015 0.000 0.217 180 D C -0.570 176.078 176.300 0.581 0.000 1.153 180 D CA -0.173 54.068 54.000 0.401 0.000 0.954 180 D CB 0.410 41.375 40.800 0.275 0.000 1.034 180 D HN 0.379 nan 8.370 nan 0.000 0.518 181 D N 3.903 124.599 120.400 0.493 0.000 2.713 181 D HA 0.003 4.633 4.640 -0.015 0.000 0.229 181 D C 1.059 177.490 176.300 0.219 0.000 1.136 181 D CA -0.581 53.624 54.000 0.342 0.000 1.010 181 D CB -0.124 40.877 40.800 0.335 0.000 1.084 181 D HN 0.547 nan 8.370 nan 0.000 0.495 182 W N 1.923 123.254 121.300 0.052 0.000 2.595 182 W HA 0.009 4.660 4.660 -0.015 0.000 0.257 182 W C 0.083 176.653 176.519 0.084 0.000 1.267 182 W CA 0.042 57.440 57.345 0.090 0.000 1.300 182 W CB -0.683 28.832 29.460 0.092 0.000 1.120 182 W HN 0.177 nan 8.180 nan 0.000 0.618 183 L N 0.789 121.624 121.223 -0.646 0.000 2.607 183 L HA 0.178 4.509 4.340 -0.015 0.000 0.228 183 L C 2.733 179.428 176.870 -0.292 0.000 1.123 183 L CA -0.064 54.380 54.840 -0.659 0.000 0.890 183 L CB -0.621 40.934 42.059 -0.840 0.000 1.103 183 L HN -0.126 nan 8.230 nan 0.000 0.468 184 R N 0.583 120.965 120.500 -0.197 0.000 2.162 184 R HA -0.255 4.075 4.340 -0.015 0.000 0.245 184 R C 1.536 177.663 176.300 -0.288 0.000 1.129 184 R CA 2.368 58.316 56.100 -0.254 0.000 0.940 184 R CB -0.276 29.838 30.300 -0.310 0.000 0.875 184 R HN 0.297 nan 8.270 nan 0.000 0.437 185 Y N -0.747 119.571 120.300 0.030 0.000 2.466 185 Y HA 0.299 4.840 4.550 -0.015 0.000 0.272 185 Y C 0.870 176.768 175.900 -0.003 0.000 1.169 185 Y CA 0.407 58.545 58.100 0.064 0.000 1.285 185 Y CB 0.764 39.377 38.460 0.255 0.000 1.078 185 Y HN 0.436 nan 8.280 nan 0.000 0.523 186 G N 1.230 110.072 108.800 0.070 0.000 2.663 186 G HA2 -0.214 3.737 3.960 -0.015 0.000 0.686 186 G HA3 -0.214 3.737 3.960 -0.015 0.000 0.686 186 G C -1.315 173.646 174.900 0.102 0.000 1.246 186 G CA -0.866 44.228 45.100 -0.010 0.000 0.795 186 G HN 0.247 nan 8.290 nan 0.000 0.627 187 N N 1.290 119.992 118.700 0.004 0.000 2.524 187 N HA 0.604 5.335 4.740 -0.015 0.000 0.261 187 N C -0.665 174.843 175.510 -0.005 0.000 0.998 187 N CA -2.022 51.056 53.050 0.048 0.000 0.915 187 N CB 2.051 40.498 38.487 -0.066 0.000 1.187 187 N HN 0.237 nan 8.380 nan 0.000 0.507 188 P HA 0.035 nan 4.420 nan 0.000 0.229 188 P C 0.595 177.577 177.300 -0.531 0.000 1.160 188 P CA 0.690 63.484 63.100 -0.510 0.000 0.777 188 P CB 0.108 31.212 31.700 -0.994 0.000 0.814 189 W N 1.907 123.217 121.300 0.018 0.000 2.576 189 W HA 0.051 4.702 4.660 -0.015 0.000 0.270 189 W C 1.264 177.820 176.519 0.062 0.000 1.255 189 W CA -0.296 57.054 57.345 0.009 0.000 1.314 189 W CB -0.248 29.216 29.460 0.008 0.000 1.101 189 W HN 0.009 nan 8.180 nan 0.000 0.595 190 E N 1.736 122.100 120.200 0.273 0.000 2.319 190 E HA 0.326 4.667 4.350 -0.015 0.000 0.268 190 E C -0.653 176.112 176.600 0.276 0.000 1.050 190 E CA -0.744 55.828 56.400 0.287 0.000 0.878 190 E CB 1.394 31.267 29.700 0.287 0.000 1.066 190 E HN -0.319 nan 8.360 nan 0.000 0.406 191 K N 1.832 122.412 120.400 0.300 0.000 2.535 191 K HA 0.412 4.723 4.320 -0.015 0.000 0.253 191 K C -1.158 175.476 176.600 0.056 0.000 0.953 191 K CA -0.506 55.893 56.287 0.186 0.000 0.863 191 K CB 1.560 34.164 32.500 0.174 0.000 1.111 191 K HN 0.665 nan 8.250 nan 0.000 0.431 192 A N 4.291 127.065 122.820 -0.077 0.000 2.511 192 A HA 0.281 4.592 4.320 -0.015 0.000 0.242 192 A C -0.238 177.190 177.584 -0.260 0.000 1.069 192 A CA -0.004 51.739 52.037 -0.489 0.000 0.763 192 A CB 0.174 18.883 19.000 -0.485 0.000 1.001 192 A HN 0.662 nan 8.150 nan 0.000 0.498 193 R N 3.359 123.700 120.500 -0.265 0.000 2.983 193 R HA 0.204 4.535 4.340 -0.015 0.000 0.300 193 R C -2.322 173.995 176.300 0.027 0.000 1.367 193 R CA -1.771 54.316 56.100 -0.022 0.000 1.564 193 R CB 0.577 30.926 30.300 0.081 0.000 1.314 193 R HN 0.561 nan 8.270 nan 0.000 0.622 194 P HA -0.178 nan 4.420 nan 0.000 0.221 194 P C 0.947 178.247 177.300 0.001 0.000 1.145 194 P CA 1.079 64.168 63.100 -0.018 0.000 0.795 194 P CB 0.366 32.042 31.700 -0.040 0.000 0.775 195 E N -0.351 119.822 120.200 -0.045 0.000 2.418 195 E HA -0.128 4.213 4.350 -0.015 0.000 0.197 195 E C 0.778 177.208 176.600 -0.284 0.000 1.026 195 E CA 0.780 57.070 56.400 -0.185 0.000 0.862 195 E CB -0.895 28.627 29.700 -0.297 0.000 0.799 195 E HN 0.279 nan 8.360 nan 0.000 0.518 196 F N 1.861 121.823 119.950 0.020 0.000 2.639 196 F HA 0.214 4.732 4.527 -0.015 0.000 0.300 196 F C 0.462 176.357 175.800 0.157 0.000 1.109 196 F CA -0.214 57.830 58.000 0.074 0.000 1.335 196 F CB 0.397 39.432 39.000 0.058 0.000 1.014 196 F HN -0.277 nan 8.300 nan 0.000 0.537 197 T N 2.792 117.486 114.554 0.234 0.000 2.928 197 T HA 0.231 4.572 4.350 -0.015 0.000 0.305 197 T C -0.271 174.527 174.700 0.162 0.000 1.035 197 T CA 0.357 62.592 62.100 0.225 0.000 1.145 197 T CB 0.613 69.564 68.868 0.138 0.000 0.963 197 T HN -0.172 nan 8.240 nan 0.000 0.545 198 L N 5.823 127.119 121.223 0.123 0.000 2.370 198 L HA 0.558 4.889 4.340 -0.015 0.000 0.266 198 L C -2.246 174.579 176.870 -0.075 0.000 1.002 198 L CA -2.547 52.289 54.840 -0.007 0.000 0.818 198 L CB 1.981 43.963 42.059 -0.129 0.000 1.325 198 L HN 0.380 nan 8.230 nan 0.000 0.418 199 P HA 0.366 nan 4.420 nan 0.000 0.288 199 P C -1.185 175.969 177.300 -0.244 0.000 1.267 199 P CA -0.378 62.629 63.100 -0.154 0.000 0.815 199 P CB 1.616 33.220 31.700 -0.159 0.000 0.989 200 V N 4.078 123.834 119.914 -0.265 0.000 2.540 200 V HA 0.324 4.435 4.120 -0.015 0.000 0.302 200 V C 0.144 176.004 176.094 -0.390 0.000 1.035 200 V CA -0.602 61.527 62.300 -0.285 0.000 0.873 200 V CB 1.384 33.096 31.823 -0.184 0.000 0.992 200 V HN 0.598 nan 8.190 nan 0.000 0.428 201 H N 4.031 122.939 119.070 -0.271 0.000 2.463 201 H HA 0.611 5.158 4.556 -0.015 0.000 0.332 201 H C -1.264 173.782 175.328 -0.471 0.000 1.127 201 H CA -0.152 55.666 56.048 -0.383 0.000 1.238 201 H CB 1.877 31.183 29.762 -0.760 0.000 1.478 201 H HN 0.474 nan 8.280 nan 0.000 0.499 202 F N 0.391 120.415 119.950 0.124 0.000 2.603 202 F HA 0.226 4.743 4.527 -0.015 0.000 0.317 202 F C -0.231 175.682 175.800 0.188 0.000 1.066 202 F CA -0.534 57.529 58.000 0.106 0.000 0.941 202 F CB 1.082 40.042 39.000 -0.068 0.000 1.291 202 F HN 0.558 nan 8.300 nan 0.000 0.472 203 Y N 0.090 120.694 120.300 0.507 0.000 2.904 203 Y HA 0.000 4.541 4.550 -0.015 0.000 0.466 203 Y C 1.337 177.491 175.900 0.424 0.000 1.202 203 Y CA 0.561 58.877 58.100 0.360 0.000 2.492 203 Y CB -1.934 36.666 38.460 0.232 0.000 1.237 203 Y HN 1.280 nan 8.280 nan 0.000 0.633 204 G N 0.719 109.794 108.800 0.459 0.000 2.598 204 G HA2 0.090 4.041 3.960 -0.015 0.000 0.244 204 G HA3 0.090 4.041 3.960 -0.015 0.000 0.244 204 G C -0.534 174.578 174.900 0.354 0.000 1.302 204 G CA 0.995 46.283 45.100 0.315 0.000 0.903 204 G HN 1.371 nan 8.290 nan 0.000 0.575 205 R N -2.560 118.144 120.500 0.339 0.000 2.752 205 R HA 0.716 5.047 4.340 -0.015 0.000 0.271 205 R C -1.387 175.047 176.300 0.223 0.000 1.026 205 R CA -0.998 55.243 56.100 0.234 0.000 0.901 205 R CB 1.345 31.728 30.300 0.138 0.000 1.243 205 R HN 0.868 nan 8.270 nan 0.000 0.463 206 V N 0.756 120.712 119.914 0.070 0.000 2.427 206 V HA 0.368 4.479 4.120 -0.015 0.000 0.286 206 V C -0.287 175.720 176.094 -0.145 0.000 1.034 206 V CA -0.494 61.769 62.300 -0.062 0.000 0.893 206 V CB 1.340 33.057 31.823 -0.176 0.000 0.982 206 V HN 0.729 nan 8.190 nan 0.000 0.452 207 E N 3.064 123.155 120.200 -0.181 0.000 2.176 207 E HA 0.404 4.745 4.350 -0.015 0.000 0.267 207 E C -1.082 175.367 176.600 -0.252 0.000 0.893 207 E CA -0.701 55.612 56.400 -0.144 0.000 0.761 207 E CB 0.907 30.586 29.700 -0.035 0.000 1.133 207 E HN 0.731 nan 8.360 nan 0.000 0.409 208 H N 2.463 121.548 119.070 0.024 0.000 2.517 208 H HA 0.231 4.778 4.556 -0.015 0.000 0.317 208 H C 0.228 175.565 175.328 0.015 0.000 1.080 208 H CA -0.248 55.810 56.048 0.015 0.000 1.301 208 H CB 1.404 31.170 29.762 0.008 0.000 1.425 208 H HN 0.558 nan 8.280 nan 0.000 0.471 209 T N -0.960 113.659 114.554 0.109 0.000 2.905 209 T HA 0.198 4.539 4.350 -0.015 0.000 0.283 209 T C 1.414 176.151 174.700 0.061 0.000 1.031 209 T CA -0.743 61.397 62.100 0.067 0.000 1.002 209 T CB 1.147 70.039 68.868 0.040 0.000 1.200 209 T HN 0.376 nan 8.240 nan 0.000 0.560 210 S N 0.033 115.758 115.700 0.041 0.000 2.380 210 S HA -0.118 4.343 4.470 -0.015 0.000 0.229 210 S C 0.937 175.556 174.600 0.033 0.000 1.043 210 S CA 1.398 59.617 58.200 0.032 0.000 1.038 210 S CB -0.414 62.800 63.200 0.024 0.000 0.872 210 S HN 0.725 nan 8.310 nan 0.000 0.456 211 Q N 0.005 119.825 119.800 0.034 0.000 2.700 211 Q HA 0.543 4.874 4.340 -0.015 0.000 0.249 211 Q C -0.033 175.990 176.000 0.038 0.000 1.033 211 Q CA 0.323 56.146 55.803 0.033 0.000 0.804 211 Q CB 0.750 29.504 28.738 0.026 0.000 1.164 211 Q HN 0.445 nan 8.270 nan 0.000 0.500 212 G N 0.803 109.635 108.800 0.053 0.000 2.699 212 G HA2 0.124 4.075 3.960 -0.015 0.000 0.686 212 G HA3 0.124 4.075 3.960 -0.015 0.000 0.686 212 G C -0.613 174.326 174.900 0.065 0.000 1.301 212 G CA -0.641 44.496 45.100 0.062 0.000 0.816 212 G HN 0.724 nan 8.290 nan 0.000 0.595 213 A N 0.787 123.643 122.820 0.060 0.000 2.351 213 A HA 0.737 5.048 4.320 -0.015 0.000 0.257 213 A C 0.532 178.089 177.584 -0.046 0.000 1.087 213 A CA 0.347 52.362 52.037 -0.037 0.000 0.798 213 A CB 0.647 19.604 19.000 -0.070 0.000 1.033 213 A HN 0.789 nan 8.150 nan 0.000 0.488 214 K N 0.445 120.801 120.400 -0.074 0.000 2.482 214 K HA 0.191 4.502 4.320 -0.015 0.000 0.251 214 K C -1.941 174.697 176.600 0.065 0.000 0.936 214 K CA -0.350 55.935 56.287 -0.003 0.000 0.791 214 K CB 2.121 34.618 32.500 -0.005 0.000 1.213 214 K HN 0.745 nan 8.250 nan 0.000 0.428 215 W N 5.373 126.595 121.300 -0.131 0.000 2.308 215 W HA 0.351 5.002 4.660 -0.015 0.000 0.311 215 W C -0.634 175.822 176.519 -0.105 0.000 1.088 215 W CA -0.813 56.458 57.345 -0.123 0.000 1.309 215 W CB 0.167 29.542 29.460 -0.142 0.000 1.229 215 W HN 0.288 nan 8.180 nan 0.000 0.427 216 V N 2.947 122.913 119.914 0.086 0.000 3.126 216 V HA 0.614 4.725 4.120 -0.015 0.000 0.314 216 V C -0.143 175.925 176.094 -0.044 0.000 1.138 216 V CA -0.914 61.361 62.300 -0.042 0.000 1.034 216 V CB 2.036 33.863 31.823 0.007 0.000 1.075 216 V HN 0.475 nan 8.190 nan 0.000 0.442 217 D N 0.248 120.622 120.400 -0.043 0.000 2.772 217 D HA -0.140 4.491 4.640 -0.015 0.000 0.233 217 D C 0.531 176.834 176.300 0.004 0.000 1.143 217 D CA 1.538 55.536 54.000 -0.003 0.000 0.700 217 D CB -1.706 39.116 40.800 0.035 0.000 1.076 217 D HN 1.322 nan 8.370 nan 0.000 0.430 218 T N -2.856 111.653 114.554 -0.075 0.000 2.913 218 T HA 0.481 4.822 4.350 -0.015 0.000 0.287 218 T C 0.441 175.197 174.700 0.093 0.000 1.008 218 T CA -0.732 61.340 62.100 -0.046 0.000 1.067 218 T CB 1.970 70.627 68.868 -0.351 0.000 0.996 218 T HN 0.027 nan 8.240 nan 0.000 0.513 219 Q N 0.848 120.778 119.800 0.216 0.000 2.261 219 Q HA 0.530 4.861 4.340 -0.015 0.000 0.252 219 Q C -0.846 175.293 176.000 0.232 0.000 0.915 219 Q CA -0.723 55.232 55.803 0.254 0.000 0.915 219 Q CB 1.534 30.498 28.738 0.376 0.000 1.204 219 Q HN 0.546 nan 8.270 nan 0.000 0.421 220 V N 3.493 123.503 119.914 0.159 0.000 2.427 220 V HA 0.386 4.497 4.120 -0.015 0.000 0.286 220 V C -0.317 175.869 176.094 0.154 0.000 1.034 220 V CA -0.639 61.671 62.300 0.015 0.000 0.893 220 V CB 1.617 33.391 31.823 -0.082 0.000 0.982 220 V HN 0.486 nan 8.190 nan 0.000 0.452 221 V N 6.037 126.048 119.914 0.162 0.000 2.555 221 V HA 0.476 4.587 4.120 -0.015 0.000 0.302 221 V C -0.105 176.085 176.094 0.160 0.000 1.038 221 V CA -0.651 61.762 62.300 0.189 0.000 0.887 221 V CB 1.956 33.964 31.823 0.308 0.000 0.991 221 V HN 0.638 nan 8.190 nan 0.000 0.434 222 L N 3.674 124.982 121.223 0.142 0.000 2.350 222 L HA 0.689 5.020 4.340 -0.015 0.000 0.275 222 L C 0.478 177.534 176.870 0.309 0.000 1.099 222 L CA -0.263 54.667 54.840 0.151 0.000 0.808 222 L CB 1.271 43.396 42.059 0.110 0.000 1.149 222 L HN 0.754 nan 8.230 nan 0.000 0.442 223 A N 5.407 128.361 122.820 0.224 0.000 2.256 223 A HA 0.571 4.882 4.320 -0.015 0.000 0.317 223 A C -0.451 177.415 177.584 0.470 0.000 1.318 223 A CA -0.470 51.742 52.037 0.291 0.000 0.894 223 A CB 0.849 19.572 19.000 -0.463 0.000 1.165 223 A HN 0.785 nan 8.150 nan 0.000 0.525 224 M N 5.940 125.869 119.600 0.548 0.000 2.129 224 M HA 0.448 4.919 4.480 -0.015 0.000 0.348 224 M C -2.613 173.932 176.300 0.408 0.000 1.116 224 M CA -2.187 53.364 55.300 0.418 0.000 1.022 224 M CB 1.991 34.754 32.600 0.272 0.000 1.599 224 M HN 0.336 nan 8.290 nan 0.000 0.449 225 P HA 0.254 nan 4.420 nan 0.000 0.282 225 P C -1.916 175.277 177.300 -0.178 0.000 1.249 225 P CA 0.004 62.949 63.100 -0.258 0.000 0.806 225 P CB 0.481 31.823 31.700 -0.596 0.000 0.984 226 Y N 0.477 120.679 120.300 -0.164 0.000 2.326 226 Y HA 0.295 4.836 4.550 -0.015 0.000 0.329 226 Y C 0.161 176.018 175.900 -0.072 0.000 0.973 226 Y CA -0.432 57.636 58.100 -0.053 0.000 1.162 226 Y CB 1.201 39.670 38.460 0.015 0.000 1.147 226 Y HN 0.208 nan 8.280 nan 0.000 0.456 227 D N 2.151 122.621 120.400 0.117 0.000 2.225 227 D HA 0.344 4.975 4.640 -0.015 0.000 0.248 227 D C -0.439 176.064 176.300 0.338 0.000 1.096 227 D CA -0.055 54.057 54.000 0.187 0.000 0.863 227 D CB 1.561 42.486 40.800 0.209 0.000 1.156 227 D HN 0.373 nan 8.370 nan 0.000 0.450 228 T N 3.385 118.042 114.554 0.172 0.000 2.829 228 T HA 0.465 4.806 4.350 -0.015 0.000 0.280 228 T C -2.492 172.032 174.700 -0.293 0.000 0.999 228 T CA -1.517 60.593 62.100 0.015 0.000 0.983 228 T CB 1.993 70.865 68.868 0.007 0.000 0.968 228 T HN 0.171 nan 8.240 nan 0.000 0.446 229 P HA 0.312 nan 4.420 nan 0.000 0.276 229 P C -1.007 175.952 177.300 -0.568 0.000 1.230 229 P CA -0.399 62.020 63.100 -1.135 0.000 0.776 229 P CB 0.776 31.633 31.700 -1.405 0.000 0.888 230 V N 5.428 125.067 119.914 -0.458 0.000 2.305 230 V HA 0.262 4.373 4.120 -0.015 0.000 0.275 230 V C -2.054 173.895 176.094 -0.240 0.000 1.020 230 V CA -1.947 60.179 62.300 -0.289 0.000 0.811 230 V CB 1.266 32.966 31.823 -0.205 0.000 1.031 230 V HN 0.536 nan 8.190 nan 0.000 0.439 231 P HA 0.257 nan 4.420 nan 0.000 0.281 231 P C 0.411 177.653 177.300 -0.097 0.000 1.252 231 P CA 0.296 63.299 63.100 -0.161 0.000 0.778 231 P CB 1.532 33.136 31.700 -0.160 0.000 0.895 232 G N 2.347 111.108 108.800 -0.065 0.000 2.606 232 G HA2 0.089 4.040 3.960 -0.015 0.000 0.252 232 G HA3 0.089 4.040 3.960 -0.015 0.000 0.252 232 G C -1.084 173.822 174.900 0.011 0.000 1.206 232 G CA -0.543 44.547 45.100 -0.015 0.000 0.861 232 G HN 0.519 nan 8.290 nan 0.000 0.561 233 Y N 1.055 121.312 120.300 -0.071 0.000 2.674 233 Y HA 0.214 4.755 4.550 -0.016 0.000 0.354 233 Y C 1.372 177.231 175.900 -0.067 0.000 1.089 233 Y CA -0.134 57.920 58.100 -0.076 0.000 1.444 233 Y CB -0.089 38.325 38.460 -0.077 0.000 1.187 233 Y HN 0.737 nan 8.280 nan 0.000 0.523 234 R N 3.037 123.243 120.500 -0.490 0.000 3.610 234 R HA -0.324 4.006 4.340 -0.015 0.000 0.274 234 R C 0.026 176.185 176.300 -0.235 0.000 1.123 234 R CA 1.356 57.189 56.100 -0.445 0.000 0.747 234 R CB -2.078 27.795 30.300 -0.711 0.000 1.149 234 R HN 0.944 nan 8.270 nan 0.000 0.471 235 N N -0.745 117.868 118.700 -0.145 0.000 2.177 235 N HA 0.050 4.781 4.740 -0.015 0.000 0.218 235 N C -0.156 175.303 175.510 -0.085 0.000 1.182 235 N CA -0.527 52.469 53.050 -0.090 0.000 0.882 235 N CB 0.479 38.938 38.487 -0.047 0.000 1.052 235 N HN 0.082 nan 8.380 nan 0.000 0.519 236 N N -0.147 118.499 118.700 -0.091 0.000 2.713 236 N HA -0.141 4.590 4.740 -0.015 0.000 0.251 236 N C -0.900 174.565 175.510 -0.075 0.000 1.117 236 N CA 0.628 53.633 53.050 -0.075 0.000 0.770 236 N CB -1.328 37.117 38.487 -0.070 0.000 1.137 236 N HN 0.209 nan 8.380 nan 0.000 0.566 237 V N 1.158 121.029 119.914 -0.071 0.000 2.465 237 V HA 0.385 4.496 4.120 -0.015 0.000 0.279 237 V C 0.612 176.672 176.094 -0.057 0.000 1.045 237 V CA -0.463 61.801 62.300 -0.061 0.000 0.938 237 V CB 2.060 33.869 31.823 -0.023 0.000 0.986 237 V HN -0.026 nan 8.190 nan 0.000 0.467 238 V N 5.519 125.405 119.914 -0.046 0.000 2.419 238 V HA 0.434 4.545 4.120 -0.015 0.000 0.287 238 V C -0.065 176.017 176.094 -0.021 0.000 1.017 238 V CA -0.848 61.398 62.300 -0.091 0.000 0.844 238 V CB 1.408 33.154 31.823 -0.130 0.000 1.011 238 V HN 0.835 nan 8.190 nan 0.000 0.429 239 N N 1.964 120.621 118.700 -0.071 0.000 2.418 239 N HA 0.558 5.289 4.740 -0.015 0.000 0.283 239 N C -0.042 175.436 175.510 -0.052 0.000 1.267 239 N CA -0.286 52.744 53.050 -0.033 0.000 0.975 239 N CB 1.175 39.599 38.487 -0.105 0.000 1.167 239 N HN 0.574 nan 8.380 nan 0.000 0.581 240 T N 0.781 115.318 114.554 -0.029 0.000 2.824 240 T HA 0.381 4.722 4.350 -0.015 0.000 0.282 240 T C -0.243 174.415 174.700 -0.070 0.000 0.993 240 T CA -0.502 61.648 62.100 0.084 0.000 0.967 240 T CB 1.015 70.067 68.868 0.307 0.000 0.960 240 T HN 0.300 nan 8.240 nan 0.000 0.441 241 M N 3.971 123.488 119.600 -0.138 0.000 2.088 241 M HA 0.490 4.961 4.480 -0.015 0.000 0.346 241 M C -0.373 175.767 176.300 -0.268 0.000 1.111 241 M CA -0.721 54.410 55.300 -0.280 0.000 1.017 241 M CB 0.579 32.953 32.600 -0.378 0.000 1.568 241 M HN 0.485 nan 8.290 nan 0.000 0.445 242 R N 5.928 126.160 120.500 -0.446 0.000 2.295 242 R HA 0.626 4.957 4.340 -0.015 0.000 0.324 242 R C -1.968 174.025 176.300 -0.512 0.000 0.968 242 R CA -0.434 55.346 56.100 -0.532 0.000 0.837 242 R CB 0.877 30.682 30.300 -0.825 0.000 1.133 242 R HN 0.823 nan 8.270 nan 0.000 0.450 243 L N 5.139 126.160 121.223 -0.336 0.000 2.341 243 L HA 0.494 4.825 4.340 -0.015 0.000 0.278 243 L C -0.869 175.935 176.870 -0.109 0.000 1.005 243 L CA -0.912 53.835 54.840 -0.154 0.000 0.818 243 L CB 1.545 43.606 42.059 0.002 0.000 1.259 243 L HN 0.606 nan 8.230 nan 0.000 0.418 244 W N 1.951 123.368 121.300 0.196 0.000 2.315 244 W HA 0.461 5.112 4.660 -0.015 0.000 0.316 244 W C 0.576 177.325 176.519 0.383 0.000 1.211 244 W CA -0.134 57.354 57.345 0.239 0.000 1.201 244 W CB 1.447 30.910 29.460 0.005 0.000 1.184 244 W HN 0.339 nan 8.180 nan 0.000 0.544 245 S N 1.750 117.859 115.700 0.683 0.000 2.503 245 S HA 0.779 5.240 4.470 -0.015 0.000 0.301 245 S C -0.476 174.465 174.600 0.568 0.000 1.087 245 S CA -0.718 57.789 58.200 0.513 0.000 1.042 245 S CB 0.693 64.154 63.200 0.435 0.000 1.043 245 S HN 0.504 nan 8.310 nan 0.000 0.489 246 A N 4.675 127.654 122.820 0.264 0.000 2.320 246 A HA 0.663 4.973 4.320 -0.015 0.000 0.287 246 A C -0.185 177.447 177.584 0.079 0.000 1.181 246 A CA -0.371 51.707 52.037 0.068 0.000 0.831 246 A CB 0.394 19.158 19.000 -0.394 0.000 1.102 246 A HN 0.648 nan 8.150 nan 0.000 0.513 247 K N 1.226 121.688 120.400 0.104 0.000 2.422 247 K HA 0.616 4.927 4.320 -0.015 0.000 0.251 247 K C -0.515 176.064 176.600 -0.034 0.000 0.933 247 K CA -0.464 55.849 56.287 0.043 0.000 0.798 247 K CB 2.289 34.849 32.500 0.100 0.000 1.238 247 K HN 0.823 nan 8.250 nan 0.000 0.428 248 A N 4.317 127.055 122.820 -0.137 0.000 2.401 248 A HA 0.435 4.746 4.320 -0.015 0.000 0.259 248 A C -2.129 175.425 177.584 -0.051 0.000 1.103 248 A CA -1.113 50.773 52.037 -0.252 0.000 0.789 248 A CB -0.254 18.433 19.000 -0.521 0.000 1.035 248 A HN 0.338 nan 8.150 nan 0.000 0.491 249 P HA 0.069 nan 4.420 nan 0.000 0.269 249 P C 0.017 177.397 177.300 0.133 0.000 1.215 249 P CA -0.296 62.865 63.100 0.101 0.000 0.780 249 P CB 0.558 32.339 31.700 0.136 0.000 0.898 250 N N 0.931 119.692 118.700 0.102 0.000 2.512 250 N HA -0.097 4.634 4.740 -0.015 0.000 0.183 250 N C 0.800 176.383 175.510 0.121 0.000 1.073 250 N CA 0.876 53.987 53.050 0.102 0.000 0.911 250 N CB -0.365 38.166 38.487 0.074 0.000 0.964 250 N HN 0.554 nan 8.380 nan 0.000 0.447 251 D N -0.833 119.641 120.400 0.124 0.000 2.328 251 D HA -0.077 4.554 4.640 -0.015 0.000 0.221 251 D C 0.156 176.528 176.300 0.119 0.000 1.072 251 D CA -0.513 53.550 54.000 0.105 0.000 0.850 251 D CB -0.788 40.054 40.800 0.071 0.000 0.922 251 D HN 0.044 nan 8.370 nan 0.000 0.516 252 F N 2.167 122.130 119.950 0.022 0.000 2.602 252 F HA 0.040 4.558 4.527 -0.015 0.000 0.385 252 F C 0.801 176.605 175.800 0.007 0.000 1.063 252 F CA 0.332 58.342 58.000 0.016 0.000 1.233 252 F CB 0.116 39.126 39.000 0.016 0.000 1.067 252 F HN -0.181 nan 8.300 nan 0.000 0.564 253 N N 2.351 120.723 118.700 -0.547 0.000 2.815 253 N HA -0.282 4.449 4.740 -0.015 0.000 0.247 253 N C -0.701 174.736 175.510 -0.122 0.000 1.030 253 N CA 1.470 54.307 53.050 -0.354 0.000 0.881 253 N CB -1.261 37.071 38.487 -0.259 0.000 1.134 253 N HN 0.530 nan 8.380 nan 0.000 0.582 259 V N 2.048 122.008 119.914 0.077 0.000 2.283 259 V HA -0.024 4.087 4.120 -0.015 0.000 0.243 259 V C 2.395 178.576 176.094 0.146 0.000 1.039 259 V CA 2.415 64.791 62.300 0.127 0.000 1.016 259 V CB -0.757 31.115 31.823 0.081 0.000 0.650 259 V HN 0.861 nan 8.190 nan 0.000 0.449 260 G N 0.196 109.046 108.800 0.084 0.000 2.469 260 G HA2 -0.209 3.742 3.960 -0.015 0.000 0.220 260 G HA3 -0.209 3.742 3.960 -0.015 0.000 0.220 260 G C 1.592 176.523 174.900 0.051 0.000 1.136 260 G CA 1.138 46.273 45.100 0.058 0.000 0.759 260 G HN 0.596 nan 8.290 nan 0.000 0.562 261 G N -0.295 108.543 108.800 0.063 0.000 2.394 261 G HA2 -0.192 3.759 3.960 -0.015 0.000 0.215 261 G HA3 -0.192 3.759 3.960 -0.015 0.000 0.215 261 G C 1.625 176.567 174.900 0.071 0.000 1.165 261 G CA 1.077 46.208 45.100 0.053 0.000 0.784 261 G HN 0.463 nan 8.290 nan 0.000 0.535 262 Y N 1.322 121.628 120.300 0.009 0.000 2.145 262 Y HA -0.111 4.430 4.550 -0.015 0.000 0.286 262 Y C 2.535 178.449 175.900 0.023 0.000 1.145 262 Y CA 1.107 59.216 58.100 0.015 0.000 1.148 262 Y CB -0.119 38.349 38.460 0.013 0.000 0.981 262 Y HN 0.088 nan 8.280 nan 0.000 0.507 263 I N 0.528 121.026 120.570 -0.120 0.000 2.127 263 I HA -0.306 3.855 4.170 -0.015 0.000 0.241 263 I C 2.393 178.414 176.117 -0.161 0.000 1.075 263 I CA 1.778 62.966 61.300 -0.186 0.000 1.334 263 I CB -1.462 36.536 38.000 -0.004 0.000 1.040 263 I HN 0.318 nan 8.210 nan 0.000 0.405 264 Q N 1.057 120.813 119.800 -0.073 0.000 2.096 264 Q HA -0.146 4.185 4.340 -0.015 0.000 0.204 264 Q C 2.253 178.224 176.000 -0.048 0.000 0.982 264 Q CA 2.381 58.159 55.803 -0.043 0.000 0.850 264 Q CB -0.447 28.282 28.738 -0.015 0.000 0.901 264 Q HN 0.490 nan 8.270 nan 0.000 0.422 265 A N -0.821 121.954 122.820 -0.074 0.000 1.908 265 A HA -0.166 4.145 4.320 -0.015 0.000 0.218 265 A C 2.277 179.843 177.584 -0.029 0.000 1.181 265 A CA 1.808 53.815 52.037 -0.050 0.000 0.627 265 A CB -0.844 18.121 19.000 -0.058 0.000 0.818 265 A HN 0.273 nan 8.150 nan 0.000 0.445 266 V N 0.068 119.883 119.914 -0.166 0.000 2.358 266 V HA -0.214 3.897 4.120 -0.015 0.000 0.246 266 V C 2.511 178.576 176.094 -0.049 0.000 1.047 266 V CA 1.789 64.007 62.300 -0.137 0.000 1.035 266 V CB -0.705 30.939 31.823 -0.299 0.000 0.658 266 V HN 0.569 nan 8.190 nan 0.000 0.452 267 L N -0.217 120.975 121.223 -0.052 0.000 2.141 267 L HA -0.146 4.185 4.340 -0.015 0.000 0.209 267 L C 2.041 178.926 176.870 0.025 0.000 1.094 267 L CA 1.224 56.055 54.840 -0.015 0.000 0.763 267 L CB -0.679 41.370 42.059 -0.018 0.000 0.908 267 L HN 0.328 nan 8.230 nan 0.000 0.437 268 D N 0.048 120.490 120.400 0.070 0.000 2.371 268 D HA -0.080 4.551 4.640 -0.015 0.000 0.221 268 D C 2.145 178.581 176.300 0.226 0.000 0.986 268 D CA 0.477 54.568 54.000 0.153 0.000 0.899 268 D CB -0.023 40.884 40.800 0.177 0.000 0.902 268 D HN 0.238 nan 8.370 nan 0.000 0.530 269 R N 0.365 120.934 120.500 0.115 0.000 2.159 269 R HA -0.081 4.250 4.340 -0.015 0.000 0.237 269 R C 1.718 177.891 176.300 -0.212 0.000 1.131 269 R CA 0.926 56.923 56.100 -0.171 0.000 0.982 269 R CB -0.303 29.931 30.300 -0.110 0.000 0.868 269 R HN 0.353 nan 8.270 nan 0.000 0.453 270 N N 0.279 118.936 118.700 -0.071 0.000 2.205 270 N HA -0.187 4.544 4.740 -0.015 0.000 0.186 270 N C 1.256 176.734 175.510 -0.053 0.000 1.015 270 N CA 0.717 53.737 53.050 -0.050 0.000 0.862 270 N CB -0.089 38.394 38.487 -0.007 0.000 0.986 270 N HN 0.015 nan 8.380 nan 0.000 0.429 271 L N 1.217 122.427 121.223 -0.022 0.000 2.012 271 L HA -0.174 4.157 4.340 -0.015 0.000 0.210 271 L C 2.478 179.308 176.870 -0.067 0.000 1.073 271 L CA 1.554 56.398 54.840 0.007 0.000 0.748 271 L CB -1.150 40.981 42.059 0.120 0.000 0.891 271 L HN 0.161 nan 8.230 nan 0.000 0.431 272 A N -0.970 121.724 122.820 -0.211 0.000 1.933 272 A HA -0.191 4.119 4.320 -0.015 0.000 0.218 272 A C 2.151 179.609 177.584 -0.211 0.000 1.175 272 A CA 1.617 53.494 52.037 -0.266 0.000 0.628 272 A CB -0.467 18.190 19.000 -0.571 0.000 0.814 272 A HN 0.544 nan 8.150 nan 0.000 0.444 273 E N -0.161 119.929 120.200 -0.183 0.000 2.435 273 E HA -0.047 4.294 4.350 -0.015 0.000 0.195 273 E C 1.025 177.580 176.600 -0.075 0.000 1.029 273 E CA 0.101 56.428 56.400 -0.122 0.000 0.865 273 E CB -0.086 29.562 29.700 -0.086 0.000 0.833 273 E HN 0.458 nan 8.360 nan 0.000 0.510 274 N N 1.036 119.700 118.700 -0.060 0.000 2.443 274 N HA -0.104 4.627 4.740 -0.015 0.000 0.184 274 N C 1.577 177.078 175.510 -0.015 0.000 1.037 274 N CA 0.653 53.696 53.050 -0.011 0.000 0.896 274 N CB -0.042 38.444 38.487 -0.001 0.000 0.959 274 N HN 0.260 nan 8.380 nan 0.000 0.442 275 I N 0.426 120.929 120.570 -0.111 0.000 2.151 275 I HA -0.273 3.887 4.170 -0.015 0.000 0.243 275 I C 1.520 177.606 176.117 -0.052 0.000 1.080 275 I CA 1.386 62.591 61.300 -0.159 0.000 1.339 275 I CB -0.250 37.483 38.000 -0.445 0.000 1.039 275 I HN 0.140 nan 8.210 nan 0.000 0.409 276 S N -0.401 115.257 115.700 -0.070 0.000 2.614 276 S HA 0.172 4.633 4.470 -0.015 0.000 0.230 276 S C 1.482 176.210 174.600 0.214 0.000 0.952 276 S CA -0.471 57.775 58.200 0.078 0.000 0.949 276 S CB 0.218 63.446 63.200 0.047 0.000 0.786 276 S HN 0.222 nan 8.310 nan 0.000 0.478 277 R N 1.255 121.885 120.500 0.217 0.000 2.062 277 R HA 0.286 4.616 4.340 -0.015 0.000 0.226 277 R C 0.340 176.888 176.300 0.413 0.000 1.125 277 R CA 1.052 57.319 56.100 0.279 0.000 0.966 277 R CB -0.250 30.182 30.300 0.220 0.000 0.861 277 R HN 0.380 nan 8.270 nan 0.000 0.433 278 V N 0.692 120.806 119.914 0.332 0.000 2.808 278 V HA 0.357 4.468 4.120 -0.015 0.000 0.308 278 V C -1.491 174.555 176.094 -0.080 0.000 1.099 278 V CA -1.375 61.038 62.300 0.189 0.000 0.920 278 V CB 1.757 33.616 31.823 0.061 0.000 1.014 278 V HN 0.184 nan 8.190 nan 0.000 0.425 279 L N 7.253 128.210 121.223 -0.444 0.000 2.410 279 L HA 0.419 4.750 4.340 -0.015 0.000 0.273 279 L C -0.742 175.948 176.870 -0.299 0.000 1.144 279 L CA 0.484 54.846 54.840 -0.797 0.000 0.863 279 L CB 0.289 41.825 42.059 -0.871 0.000 1.140 279 L HN 0.681 nan 8.230 nan 0.000 0.463 280 Y N 7.295 127.488 120.300 -0.178 0.000 2.650 280 Y HA 0.140 4.681 4.550 -0.015 0.000 0.331 280 Y C -1.291 174.588 175.900 -0.035 0.000 1.165 280 Y CA -0.950 57.118 58.100 -0.053 0.000 1.473 280 Y CB 0.288 38.738 38.460 -0.018 0.000 1.224 280 Y HN 0.587 nan 8.280 nan 0.000 0.533 281 P HA -0.019 nan 4.420 nan 0.000 0.256 281 P C -0.336 177.099 177.300 0.225 0.000 1.384 281 P CA 0.211 63.414 63.100 0.172 0.000 0.879 281 P CB 0.289 32.175 31.700 0.309 0.000 1.403 282 N N 1.686 120.522 118.700 0.226 0.000 2.437 282 N HA 0.101 4.832 4.740 -0.015 0.000 0.243 282 N C -0.954 174.694 175.510 0.230 0.000 1.041 282 N CA 0.118 53.318 53.050 0.248 0.000 0.940 282 N CB 0.218 38.850 38.487 0.241 0.000 1.133 282 N HN -0.064 nan 8.380 nan 0.000 0.506 283 D N 1.789 122.353 120.400 0.272 0.000 2.249 283 D HA 0.244 4.875 4.640 -0.015 0.000 0.246 283 D C 0.199 176.706 176.300 0.345 0.000 1.114 283 D CA -0.026 54.135 54.000 0.268 0.000 0.854 283 D CB 0.327 41.284 40.800 0.262 0.000 1.132 283 D HN 0.407 nan 8.370 nan 0.000 0.461 284 N N 2.402 121.272 118.700 0.284 0.000 2.725 284 N HA -0.254 4.477 4.740 -0.015 0.000 0.249 284 N C -1.221 174.522 175.510 0.388 0.000 1.103 284 N CA 0.659 53.874 53.050 0.274 0.000 0.707 284 N CB -0.773 37.823 38.487 0.182 0.000 1.043 284 N HN 0.360 nan 8.380 nan 0.000 0.553 285 F N 0.394 120.439 119.950 0.158 0.000 2.615 285 F HA 0.478 4.996 4.527 -0.015 0.000 0.312 285 F C -1.527 174.342 175.800 0.115 0.000 1.119 285 F CA -1.255 56.812 58.000 0.112 0.000 0.979 285 F CB 0.902 39.917 39.000 0.025 0.000 1.266 285 F HN -0.054 nan 8.300 nan 0.000 0.444 286 F N 5.475 124.889 119.950 -0.893 0.000 2.410 286 F HA 0.509 5.027 4.527 -0.015 0.000 0.349 286 F C -0.520 174.684 175.800 -0.994 0.000 1.117 286 F CA -0.137 57.408 58.000 -0.759 0.000 1.104 286 F CB 0.836 39.529 39.000 -0.511 0.000 1.122 286 F HN 0.600 nan 8.300 nan 0.000 0.483 287 E N 3.849 123.168 120.200 -1.468 0.000 2.155 287 E HA 0.308 4.649 4.350 -0.015 0.000 0.264 287 E C -0.034 175.667 176.600 -1.499 0.000 0.886 287 E CA -0.739 54.957 56.400 -1.173 0.000 0.752 287 E CB 1.406 30.794 29.700 -0.521 0.000 1.133 287 E HN 0.930 nan 8.360 nan 0.000 0.414 288 G N 5.094 113.113 108.800 -1.301 0.000 3.401 288 G HA2 0.005 3.956 3.960 -0.015 0.000 0.251 288 G HA3 0.005 3.956 3.960 -0.015 0.000 0.251 288 G C 0.038 174.875 174.900 -0.105 0.000 0.960 288 G CA -0.170 44.424 45.100 -0.843 0.000 1.900 288 G HN 0.192 nan 8.290 nan 0.000 0.645 289 K N 0.550 120.907 120.400 -0.071 0.000 2.205 289 K HA 0.148 4.459 4.320 -0.015 0.000 0.279 289 K C 0.996 177.718 176.600 0.203 0.000 1.027 289 K CA -0.518 55.819 56.287 0.083 0.000 0.932 289 K CB 2.155 34.682 32.500 0.045 0.000 1.032 289 K HN 0.454 nan 8.250 nan 0.000 0.466 290 E N 2.140 122.431 120.200 0.152 0.000 2.077 290 E HA -0.208 4.133 4.350 -0.015 0.000 0.193 290 E C 1.508 178.123 176.600 0.026 0.000 0.989 290 E CA 0.944 57.387 56.400 0.072 0.000 0.800 290 E CB 0.166 29.914 29.700 0.080 0.000 0.746 290 E HN 0.420 nan 8.360 nan 0.000 0.452 291 L N 1.324 122.605 121.223 0.098 0.000 2.079 291 L HA -0.178 4.153 4.340 -0.015 0.000 0.210 291 L C 2.481 179.435 176.870 0.140 0.000 1.081 291 L CA 1.788 56.705 54.840 0.129 0.000 0.752 291 L CB -0.474 41.729 42.059 0.241 0.000 0.896 291 L HN 0.018 nan 8.230 nan 0.000 0.433 292 R N -0.630 119.894 120.500 0.040 0.000 2.075 292 R HA -0.160 4.171 4.340 -0.015 0.000 0.232 292 R C 2.107 178.434 176.300 0.045 0.000 1.126 292 R CA 1.861 57.909 56.100 -0.085 0.000 0.963 292 R CB -1.008 29.023 30.300 -0.448 0.000 0.858 292 R HN 0.405 nan 8.270 nan 0.000 0.435 293 L N 0.907 122.060 121.223 -0.116 0.000 2.046 293 L HA -0.080 4.251 4.340 -0.015 0.000 0.208 293 L C 1.772 178.577 176.870 -0.108 0.000 1.077 293 L CA 1.919 56.492 54.840 -0.446 0.000 0.747 293 L CB -0.433 41.033 42.059 -0.988 0.000 0.896 293 L HN 0.156 nan 8.230 nan 0.000 0.432 294 K N -1.017 119.360 120.400 -0.037 0.000 2.063 294 K HA -0.214 4.097 4.320 -0.015 0.000 0.208 294 K C 2.117 178.871 176.600 0.257 0.000 1.048 294 K CA 1.856 58.184 56.287 0.068 0.000 0.928 294 K CB -0.172 32.190 32.500 -0.230 0.000 0.713 294 K HN 0.507 nan 8.250 nan 0.000 0.442 295 Q N 0.450 120.371 119.800 0.202 0.000 2.084 295 Q HA -0.179 4.152 4.340 -0.015 0.000 0.202 295 Q C 1.942 178.142 176.000 0.333 0.000 0.978 295 Q CA 1.404 57.387 55.803 0.300 0.000 0.844 295 Q CB 0.026 28.960 28.738 0.327 0.000 0.898 295 Q HN 0.384 nan 8.270 nan 0.000 0.426 296 E N -0.164 120.184 120.200 0.246 0.000 2.051 296 E HA -0.214 4.127 4.350 -0.015 0.000 0.192 296 E C 1.766 178.482 176.600 0.193 0.000 0.991 296 E CA 1.054 57.583 56.400 0.215 0.000 0.799 296 E CB -0.171 29.632 29.700 0.172 0.000 0.748 296 E HN 0.321 nan 8.360 nan 0.000 0.449 297 Y N 0.605 120.952 120.300 0.079 0.000 2.200 297 Y HA -0.228 4.313 4.550 -0.015 0.000 0.290 297 Y C 2.012 177.949 175.900 0.062 0.000 1.137 297 Y CA 1.124 59.229 58.100 0.009 0.000 1.163 297 Y CB -0.408 38.026 38.460 -0.042 0.000 0.988 297 Y HN 0.019 nan 8.280 nan 0.000 0.518 298 F N -0.361 119.593 119.950 0.007 0.000 2.065 298 F HA -0.251 4.267 4.527 -0.015 0.000 0.298 298 F C 2.469 178.120 175.800 -0.248 0.000 1.112 298 F CA 2.055 60.010 58.000 -0.077 0.000 1.212 298 F CB -1.058 38.049 39.000 0.179 0.000 0.975 298 F HN -0.062 nan 8.300 nan 0.000 0.476 299 V N -0.516 119.340 119.914 -0.097 0.000 2.427 299 V HA -0.181 3.930 4.120 -0.015 0.000 0.248 299 V C 2.181 178.118 176.094 -0.262 0.000 1.051 299 V CA 1.812 64.022 62.300 -0.149 0.000 1.048 299 V CB -0.321 31.631 31.823 0.216 0.000 0.666 299 V HN 0.268 nan 8.190 nan 0.000 0.456 300 V N 0.441 120.211 119.914 -0.239 0.000 2.270 300 V HA -0.180 3.931 4.120 -0.015 0.000 0.245 300 V C 2.806 178.640 176.094 -0.433 0.000 1.043 300 V CA 2.179 64.326 62.300 -0.255 0.000 1.014 300 V CB -1.051 30.686 31.823 -0.143 0.000 0.645 300 V HN 0.638 nan 8.190 nan 0.000 0.447 301 A N -0.204 122.184 122.820 -0.719 0.000 1.877 301 A HA -0.102 4.209 4.320 -0.015 0.000 0.216 301 A C 2.398 179.605 177.584 -0.629 0.000 1.186 301 A CA 2.111 53.724 52.037 -0.708 0.000 0.620 301 A CB -0.830 17.543 19.000 -1.045 0.000 0.822 301 A HN 0.568 nan 8.150 nan 0.000 0.443 302 A N -1.002 121.275 122.820 -0.905 0.000 1.898 302 A HA -0.065 4.245 4.320 -0.015 0.000 0.216 302 A C 2.311 179.375 177.584 -0.867 0.000 1.181 302 A CA 2.282 53.583 52.037 -1.226 0.000 0.620 302 A CB -1.277 16.326 19.000 -2.328 0.000 0.819 302 A HN 0.434 nan 8.150 nan 0.000 0.442 303 T N 0.256 114.447 114.554 -0.604 0.000 2.708 303 T HA -0.116 4.225 4.350 -0.015 0.000 0.266 303 T C 1.746 176.180 174.700 -0.443 0.000 1.037 303 T CA 1.591 63.453 62.100 -0.397 0.000 1.146 303 T CB -0.336 68.291 68.868 -0.402 0.000 0.865 303 T HN 0.206 nan 8.240 nan 0.000 0.435 304 L N 1.129 122.140 121.223 -0.354 0.000 2.083 304 L HA -0.055 4.276 4.340 -0.015 0.000 0.209 304 L C 2.656 179.421 176.870 -0.175 0.000 1.083 304 L CA 1.584 56.273 54.840 -0.252 0.000 0.752 304 L CB -0.808 41.141 42.059 -0.183 0.000 0.899 304 L HN 0.307 nan 8.230 nan 0.000 0.433 305 Q N -1.037 118.656 119.800 -0.178 0.000 2.084 305 Q HA -0.247 4.084 4.340 -0.015 0.000 0.202 305 Q C 1.824 177.809 176.000 -0.025 0.000 0.978 305 Q CA 1.685 57.435 55.803 -0.087 0.000 0.844 305 Q CB -0.187 28.486 28.738 -0.109 0.000 0.898 305 Q HN 0.438 nan 8.270 nan 0.000 0.426 306 D N 0.547 120.924 120.400 -0.039 0.000 2.117 306 D HA -0.100 4.531 4.640 -0.015 0.000 0.198 306 D C 1.699 177.967 176.300 -0.053 0.000 0.982 306 D CA 0.844 54.878 54.000 0.057 0.000 0.828 306 D CB -0.045 40.894 40.800 0.232 0.000 0.967 306 D HN 0.144 nan 8.370 nan 0.000 0.464 307 I N 0.133 120.549 120.570 -0.257 0.000 2.127 307 I HA -0.278 3.883 4.170 -0.015 0.000 0.241 307 I C 2.323 178.453 176.117 0.021 0.000 1.075 307 I CA 0.888 61.971 61.300 -0.363 0.000 1.334 307 I CB -0.201 37.442 38.000 -0.594 0.000 1.040 307 I HN 0.067 nan 8.210 nan 0.000 0.405 308 I N 0.117 120.762 120.570 0.124 0.000 2.202 308 I HA -0.297 3.864 4.170 -0.015 0.000 0.242 308 I C 2.792 179.091 176.117 0.302 0.000 1.091 308 I CA 1.183 62.678 61.300 0.326 0.000 1.368 308 I CB -0.443 37.704 38.000 0.245 0.000 1.058 308 I HN 0.181 nan 8.210 nan 0.000 0.410 309 R N 1.179 121.789 120.500 0.184 0.000 2.113 309 R HA -0.267 4.064 4.340 -0.015 0.000 0.244 309 R C 2.484 178.884 176.300 0.167 0.000 1.142 309 R CA 2.057 58.255 56.100 0.164 0.000 0.953 309 R CB -0.327 30.064 30.300 0.150 0.000 0.860 309 R HN 0.243 nan 8.270 nan 0.000 0.438 310 R N -0.643 119.955 120.500 0.163 0.000 2.081 310 R HA -0.168 4.163 4.340 -0.015 0.000 0.235 310 R C 2.247 178.657 176.300 0.183 0.000 1.131 310 R CA 1.745 57.942 56.100 0.161 0.000 0.960 310 R CB -0.422 29.955 30.300 0.129 0.000 0.856 310 R HN 0.306 nan 8.270 nan 0.000 0.436 311 F N 1.560 121.555 119.950 0.076 0.000 2.134 311 F HA -0.145 4.373 4.527 -0.015 0.000 0.299 311 F C 1.730 177.544 175.800 0.024 0.000 1.097 311 F CA 1.614 59.645 58.000 0.052 0.000 1.264 311 F CB -0.004 39.069 39.000 0.121 0.000 1.001 311 F HN -0.116 nan 8.300 nan 0.000 0.479 312 K N -0.290 120.078 120.400 -0.053 0.000 2.148 312 K HA -0.030 4.281 4.320 -0.015 0.000 0.204 312 K C 1.325 177.837 176.600 -0.147 0.000 1.050 312 K CA 1.262 57.437 56.287 -0.187 0.000 0.942 312 K CB -0.267 32.241 32.500 0.012 0.000 0.724 312 K HN 0.108 nan 8.250 nan 0.000 0.446 313 S N 1.501 117.185 115.700 -0.027 0.000 2.815 313 S HA 0.123 4.584 4.470 -0.015 0.000 0.254 313 S C -0.002 174.620 174.600 0.037 0.000 1.197 313 S CA -0.345 57.879 58.200 0.041 0.000 1.216 313 S CB 0.198 63.474 63.200 0.127 0.000 0.871 313 S HN 0.114 nan 8.310 nan 0.000 0.473 325 N N 0.588 119.244 118.700 -0.074 0.000 2.501 325 N HA 0.344 5.075 4.740 -0.015 0.000 0.245 325 N C -0.671 174.900 175.510 0.102 0.000 0.974 325 N CA -0.223 52.859 53.050 0.053 0.000 0.941 325 N CB 0.520 39.040 38.487 0.055 0.000 1.122 325 N HN 0.069 nan 8.380 nan 0.000 0.507 326 F N 1.977 122.045 119.950 0.196 0.000 2.797 326 F HA 0.141 4.659 4.527 -0.015 0.000 0.302 326 F C 1.260 177.127 175.800 0.112 0.000 1.130 326 F CA -0.082 58.006 58.000 0.146 0.000 1.387 326 F CB 0.417 39.385 39.000 -0.053 0.000 1.107 326 F HN 0.503 nan 8.300 nan 0.000 0.577 327 D N 0.327 120.871 120.400 0.241 0.000 2.178 327 D HA -0.130 4.501 4.640 -0.015 0.000 0.202 327 D C 2.243 178.636 176.300 0.155 0.000 0.974 327 D CA 1.183 55.280 54.000 0.162 0.000 0.841 327 D CB -0.042 40.828 40.800 0.117 0.000 0.953 327 D HN 0.222 nan 8.370 nan 0.000 0.478 328 A N -0.514 122.425 122.820 0.199 0.000 2.169 328 A HA 0.036 4.347 4.320 -0.015 0.000 0.212 328 A C 1.666 179.365 177.584 0.191 0.000 1.153 328 A CA -0.073 52.079 52.037 0.192 0.000 0.756 328 A CB -0.790 18.335 19.000 0.209 0.000 0.813 328 A HN 0.232 nan 8.150 nan 0.000 0.471 329 F N 1.872 121.786 119.950 -0.059 0.000 2.063 329 F HA -0.175 4.343 4.527 -0.015 0.000 0.298 329 F C -0.768 174.917 175.800 -0.193 0.000 1.109 329 F CA 2.701 60.441 58.000 -0.432 0.000 1.212 329 F CB -0.630 38.114 39.000 -0.427 0.000 0.973 329 F HN 0.206 nan 8.300 nan 0.000 0.480 330 P HA -0.078 nan 4.420 nan 0.000 0.226 330 P C 0.662 177.919 177.300 -0.071 0.000 1.153 330 P CA 1.346 64.418 63.100 -0.047 0.000 0.777 330 P CB -0.078 31.623 31.700 0.001 0.000 0.794 331 D N -0.704 119.674 120.400 -0.036 0.000 2.317 331 D HA -0.032 4.599 4.640 -0.015 0.000 0.211 331 D C 1.526 177.810 176.300 -0.028 0.000 0.966 331 D CA 0.907 54.899 54.000 -0.014 0.000 0.876 331 D CB 0.105 40.918 40.800 0.022 0.000 0.927 331 D HN 0.154 nan 8.370 nan 0.000 0.519 332 K N -0.027 120.330 120.400 -0.071 0.000 2.412 332 K HA 0.204 4.515 4.320 -0.015 0.000 0.202 332 K C -0.088 176.420 176.600 -0.153 0.000 1.102 332 K CA 0.112 56.368 56.287 -0.051 0.000 1.027 332 K CB 2.348 34.921 32.500 0.122 0.000 0.931 332 K HN -0.063 nan 8.250 nan 0.000 0.557 333 V N 1.266 120.997 119.914 -0.304 0.000 2.577 333 V HA 0.587 4.697 4.120 -0.015 0.000 0.303 333 V C -0.907 175.093 176.094 -0.156 0.000 1.042 333 V CA -1.255 60.862 62.300 -0.305 0.000 0.872 333 V CB 1.685 33.003 31.823 -0.842 0.000 0.998 333 V HN 0.114 nan 8.190 nan 0.000 0.423 334 A N 5.846 128.619 122.820 -0.078 0.000 2.331 334 A HA 0.936 5.247 4.320 -0.015 0.000 0.320 334 A C -0.898 176.702 177.584 0.026 0.000 1.138 334 A CA -0.502 51.518 52.037 -0.029 0.000 0.790 334 A CB 0.941 19.855 19.000 -0.143 0.000 1.206 334 A HN 0.784 nan 8.150 nan 0.000 0.470 335 I N 1.862 122.497 120.570 0.108 0.000 2.410 335 I HA 0.283 4.444 4.170 -0.015 0.000 0.286 335 I C -0.311 175.897 176.117 0.151 0.000 1.009 335 I CA -0.502 60.877 61.300 0.132 0.000 1.111 335 I CB 1.919 39.983 38.000 0.107 0.000 1.262 335 I HN 0.695 nan 8.210 nan 0.000 0.443 336 Q N 6.657 126.541 119.800 0.141 0.000 2.278 336 Q HA 0.529 4.860 4.340 -0.015 0.000 0.257 336 Q C -1.336 174.659 176.000 -0.009 0.000 0.928 336 Q CA -0.210 55.703 55.803 0.184 0.000 0.932 336 Q CB 1.333 30.291 28.738 0.367 0.000 1.221 336 Q HN 0.575 nan 8.270 nan 0.000 0.434 337 L N 3.856 125.111 121.223 0.054 0.000 2.255 337 L HA 0.403 4.734 4.340 -0.015 0.000 0.289 337 L C 0.004 176.887 176.870 0.022 0.000 1.046 337 L CA -0.766 54.095 54.840 0.035 0.000 0.816 337 L CB 0.797 42.930 42.059 0.123 0.000 1.197 337 L HN 0.573 nan 8.230 nan 0.000 0.427 338 N N 3.829 122.462 118.700 -0.110 0.000 2.549 338 N HA 0.065 4.796 4.740 -0.015 0.000 0.267 338 N C -0.188 175.323 175.510 0.002 0.000 1.182 338 N CA 0.539 53.569 53.050 -0.034 0.000 1.019 338 N CB -0.219 38.172 38.487 -0.159 0.000 1.380 338 N HN 0.612 nan 8.380 nan 0.000 0.505 339 D N -0.593 119.905 120.400 0.164 0.000 3.876 339 D HA -0.229 4.402 4.640 -0.015 0.000 0.275 339 D C 0.549 176.941 176.300 0.153 0.000 2.055 339 D CA 1.734 55.827 54.000 0.154 0.000 1.173 339 D CB -0.601 40.067 40.800 -0.221 0.000 0.929 339 D HN 0.471 nan 8.370 nan 0.000 1.134 340 T N -2.783 111.793 114.554 0.037 0.000 3.129 340 T HA 0.076 4.417 4.350 -0.015 0.000 0.251 340 T C 1.619 176.386 174.700 0.112 0.000 1.117 340 T CA 1.624 63.727 62.100 0.005 0.000 1.034 340 T CB -0.536 68.310 68.868 -0.036 0.000 0.968 340 T HN 0.531 nan 8.240 nan 0.000 0.526 341 H N 2.588 121.744 119.070 0.144 0.000 2.352 341 H HA 0.006 4.553 4.556 -0.015 0.000 0.299 341 H C -0.885 174.530 175.328 0.145 0.000 1.097 341 H CA 0.899 57.046 56.048 0.165 0.000 1.311 341 H CB -0.907 28.953 29.762 0.163 0.000 1.377 341 H HN 0.440 nan 8.280 nan 0.000 0.504 342 P HA 0.083 nan 4.420 nan 0.000 0.254 342 P C 0.752 178.096 177.300 0.073 0.000 1.620 342 P CA 0.311 63.489 63.100 0.130 0.000 1.050 342 P CB 0.331 32.096 31.700 0.108 0.000 1.539 343 S N -0.154 115.583 115.700 0.061 0.000 2.419 343 S HA -0.147 4.314 4.470 -0.015 0.000 0.235 343 S C 1.748 176.350 174.600 0.003 0.000 1.019 343 S CA 0.852 59.048 58.200 -0.006 0.000 0.982 343 S CB -1.517 61.654 63.200 -0.049 0.000 0.789 343 S HN 0.158 nan 8.310 nan 0.000 0.490 344 L N 1.058 122.298 121.223 0.028 0.000 2.450 344 L HA -0.014 4.317 4.340 -0.015 0.000 0.224 344 L C 2.970 179.871 176.870 0.053 0.000 1.149 344 L CA 0.646 55.503 54.840 0.028 0.000 0.816 344 L CB -0.834 41.243 42.059 0.030 0.000 0.932 344 L HN 0.476 nan 8.230 nan 0.000 0.449 345 A N 0.642 123.477 122.820 0.024 0.000 1.948 345 A HA -0.217 4.094 4.320 -0.015 0.000 0.220 345 A C 2.181 179.763 177.584 -0.002 0.000 1.177 345 A CA 1.642 53.680 52.037 0.001 0.000 0.636 345 A CB -0.494 18.500 19.000 -0.011 0.000 0.815 345 A HN 0.379 nan 8.150 nan 0.000 0.449 346 I N 0.212 120.781 120.570 -0.001 0.000 2.110 346 I HA -0.140 4.021 4.170 -0.015 0.000 0.236 346 I C -0.366 175.766 176.117 0.025 0.000 1.068 346 I CA 1.556 62.851 61.300 -0.008 0.000 1.333 346 I CB -0.960 37.036 38.000 -0.006 0.000 1.054 346 I HN 0.240 nan 8.210 nan 0.000 0.402 347 P HA -0.168 nan 4.420 nan 0.000 0.221 347 P C 1.263 178.599 177.300 0.059 0.000 1.150 347 P CA 1.461 64.601 63.100 0.066 0.000 0.800 347 P CB 0.033 31.794 31.700 0.102 0.000 0.787 348 E N 0.193 120.487 120.200 0.156 0.000 2.072 348 E HA -0.146 4.195 4.350 -0.015 0.000 0.191 348 E C 1.909 178.504 176.600 -0.008 0.000 0.985 348 E CA 0.656 57.166 56.400 0.183 0.000 0.801 348 E CB -1.174 28.678 29.700 0.253 0.000 0.750 348 E HN -0.009 nan 8.360 nan 0.000 0.452 349 L N -0.005 121.179 121.223 -0.065 0.000 2.017 349 L HA -0.097 4.234 4.340 -0.015 0.000 0.208 349 L C 2.089 178.821 176.870 -0.229 0.000 1.073 349 L CA 1.760 56.501 54.840 -0.164 0.000 0.745 349 L CB -0.637 41.325 42.059 -0.161 0.000 0.894 349 L HN 0.234 nan 8.230 nan 0.000 0.432 350 M N -0.689 118.791 119.600 -0.201 0.000 2.082 350 M HA -0.248 4.223 4.480 -0.015 0.000 0.258 350 M C 2.436 178.579 176.300 -0.262 0.000 1.069 350 M CA 1.637 56.767 55.300 -0.283 0.000 1.102 350 M CB -1.276 31.143 32.600 -0.302 0.000 1.336 350 M HN 0.334 nan 8.290 nan 0.000 0.404 351 R N -0.087 120.286 120.500 -0.212 0.000 2.080 351 R HA -0.146 4.185 4.340 -0.015 0.000 0.236 351 R C 2.119 178.318 176.300 -0.168 0.000 1.137 351 R CA 1.868 57.843 56.100 -0.209 0.000 0.943 351 R CB -0.286 29.838 30.300 -0.294 0.000 0.846 351 R HN 0.216 nan 8.270 nan 0.000 0.431 352 V N 1.481 121.296 119.914 -0.165 0.000 2.287 352 V HA -0.266 3.845 4.120 -0.015 0.000 0.248 352 V C 2.398 178.333 176.094 -0.265 0.000 1.053 352 V CA 1.820 64.015 62.300 -0.174 0.000 1.027 352 V CB -0.396 31.323 31.823 -0.173 0.000 0.646 352 V HN 0.359 nan 8.190 nan 0.000 0.447 353 L N -0.842 120.162 121.223 -0.364 0.000 2.093 353 L HA -0.113 4.218 4.340 -0.015 0.000 0.208 353 L C 2.337 179.025 176.870 -0.302 0.000 1.085 353 L CA 0.995 55.552 54.840 -0.472 0.000 0.755 353 L CB -0.545 41.188 42.059 -0.544 0.000 0.904 353 L HN 0.207 nan 8.230 nan 0.000 0.435 354 V N -0.636 119.147 119.914 -0.219 0.000 2.341 354 V HA -0.154 3.957 4.120 -0.015 0.000 0.240 354 V C 1.946 178.000 176.094 -0.066 0.000 1.035 354 V CA 1.563 63.797 62.300 -0.111 0.000 1.033 354 V CB -0.280 31.510 31.823 -0.055 0.000 0.678 354 V HN 0.316 nan 8.190 nan 0.000 0.464 355 D N 0.155 120.511 120.400 -0.073 0.000 2.123 355 D HA -0.036 4.595 4.640 -0.015 0.000 0.200 355 D C 2.023 178.299 176.300 -0.041 0.000 0.976 355 D CA 1.278 55.253 54.000 -0.043 0.000 0.831 355 D CB -0.003 40.770 40.800 -0.046 0.000 0.974 355 D HN 0.327 nan 8.370 nan 0.000 0.469 356 L N 0.119 121.303 121.223 -0.066 0.000 2.286 356 L HA 0.122 4.453 4.340 -0.015 0.000 0.203 356 L C 1.849 178.691 176.870 -0.047 0.000 1.068 356 L CA 0.532 55.343 54.840 -0.047 0.000 0.811 356 L CB 0.017 42.050 42.059 -0.044 0.000 0.989 356 L HN -0.179 nan 8.230 nan 0.000 0.467 357 E N 0.337 120.475 120.200 -0.104 0.000 2.447 357 E HA 0.044 4.385 4.350 -0.015 0.000 0.195 357 E C 0.161 176.726 176.600 -0.058 0.000 1.028 357 E CA -0.051 56.293 56.400 -0.092 0.000 0.876 357 E CB 0.396 29.927 29.700 -0.282 0.000 0.885 357 E HN 0.211 nan 8.360 nan 0.000 0.500 358 R N -0.361 120.102 120.500 -0.061 0.000 3.878 358 R HA -0.188 4.143 4.340 -0.015 0.000 0.330 358 R C -0.190 176.099 176.300 -0.019 0.000 1.186 358 R CA 0.263 56.349 56.100 -0.022 0.000 0.885 358 R CB -2.821 27.483 30.300 0.007 0.000 1.377 358 R HN 0.093 nan 8.270 nan 0.000 0.523 359 L N 2.597 123.781 121.223 -0.065 0.000 2.467 359 L HA 0.082 4.413 4.340 -0.015 0.000 0.270 359 L C 1.508 178.372 176.870 -0.010 0.000 1.205 359 L CA 0.491 55.302 54.840 -0.049 0.000 0.828 359 L CB 0.308 42.290 42.059 -0.129 0.000 1.101 359 L HN 0.131 nan 8.230 nan 0.000 0.479 360 D N 1.131 121.550 120.400 0.032 0.000 2.357 360 D HA -0.130 4.501 4.640 -0.015 0.000 0.242 360 D C 0.949 177.320 176.300 0.117 0.000 1.153 360 D CA -0.545 53.508 54.000 0.088 0.000 0.918 360 D CB 0.683 41.541 40.800 0.096 0.000 1.181 360 D HN 0.621 nan 8.370 nan 0.000 0.435 361 W N 1.901 123.205 121.300 0.008 0.000 2.315 361 W HA -0.239 4.412 4.660 -0.015 0.000 0.323 361 W C 1.093 177.660 176.519 0.080 0.000 1.233 361 W CA 1.969 59.327 57.345 0.021 0.000 1.267 361 W CB -0.342 29.111 29.460 -0.011 0.000 1.160 361 W HN 0.452 nan 8.180 nan 0.000 0.474 362 D N 0.327 120.938 120.400 0.352 0.000 2.123 362 D HA -0.209 4.422 4.640 -0.015 0.000 0.196 362 D C 1.881 178.287 176.300 0.177 0.000 0.992 362 D CA 2.025 56.202 54.000 0.295 0.000 0.833 362 D CB -0.394 40.548 40.800 0.236 0.000 0.954 362 D HN 0.095 nan 8.370 nan 0.000 0.455 363 K N 1.162 121.623 120.400 0.101 0.000 2.025 363 K HA 0.011 4.322 4.320 -0.015 0.000 0.207 363 K C 1.875 178.466 176.600 -0.015 0.000 1.049 363 K CA 1.480 57.797 56.287 0.051 0.000 0.933 363 K CB -0.592 31.934 32.500 0.043 0.000 0.714 363 K HN -0.010 nan 8.250 nan 0.000 0.438 364 A N 0.760 123.528 122.820 -0.087 0.000 1.908 364 A HA -0.205 4.106 4.320 -0.015 0.000 0.218 364 A C 2.256 179.734 177.584 -0.176 0.000 1.181 364 A CA 1.617 53.532 52.037 -0.203 0.000 0.627 364 A CB -1.250 17.567 19.000 -0.304 0.000 0.818 364 A HN 0.713 nan 8.150 nan 0.000 0.445 365 W N 0.584 121.666 121.300 -0.363 0.000 2.358 365 W HA -0.167 4.484 4.660 -0.015 0.000 0.303 365 W C 1.982 178.440 176.519 -0.102 0.000 1.208 365 W CA 1.837 59.017 57.345 -0.274 0.000 1.274 365 W CB -0.184 29.143 29.460 -0.223 0.000 1.138 365 W HN 0.612 nan 8.180 nan 0.000 0.515 366 E N 0.110 120.295 120.200 -0.025 0.000 2.058 366 E HA -0.237 4.104 4.350 -0.015 0.000 0.194 366 E C 2.051 178.572 176.600 -0.131 0.000 0.997 366 E CA 2.095 58.450 56.400 -0.074 0.000 0.801 366 E CB -0.293 29.424 29.700 0.027 0.000 0.746 366 E HN 0.064 nan 8.360 nan 0.000 0.450 367 V N 0.662 120.512 119.914 -0.106 0.000 2.261 367 V HA -0.276 3.835 4.120 -0.015 0.000 0.246 367 V C 2.414 178.438 176.094 -0.118 0.000 1.047 367 V CA 2.228 64.483 62.300 -0.075 0.000 1.015 367 V CB -0.895 30.875 31.823 -0.087 0.000 0.642 367 V HN 0.381 nan 8.190 nan 0.000 0.446 368 T N 0.188 114.598 114.554 -0.239 0.000 2.652 368 T HA -0.202 4.138 4.350 -0.015 0.000 0.267 368 T C 1.941 176.464 174.700 -0.295 0.000 1.039 368 T CA 1.897 63.830 62.100 -0.277 0.000 1.153 368 T CB -0.365 68.274 68.868 -0.382 0.000 0.863 368 T HN 0.273 nan 8.240 nan 0.000 0.428 369 V N 1.341 120.964 119.914 -0.486 0.000 2.343 369 V HA -0.171 3.940 4.120 -0.015 0.000 0.247 369 V C 2.380 178.434 176.094 -0.067 0.000 1.051 369 V CA 1.647 63.724 62.300 -0.373 0.000 1.036 369 V CB -0.499 31.021 31.823 -0.505 0.000 0.654 369 V HN 0.462 nan 8.190 nan 0.000 0.451 370 K N -0.482 119.859 120.400 -0.099 0.000 2.283 370 K HA -0.088 4.223 4.320 -0.015 0.000 0.202 370 K C 2.085 178.650 176.600 -0.058 0.000 1.048 370 K CA 1.533 57.744 56.287 -0.127 0.000 0.948 370 K CB -0.192 32.236 32.500 -0.120 0.000 0.742 370 K HN 0.479 nan 8.250 nan 0.000 0.458 371 T N 0.127 114.709 114.554 0.046 0.000 2.976 371 T HA 0.020 4.361 4.350 -0.015 0.000 0.257 371 T C 0.912 175.723 174.700 0.184 0.000 1.051 371 T CA 0.394 62.560 62.100 0.110 0.000 1.141 371 T CB 0.101 69.071 68.868 0.171 0.000 0.881 371 T HN 0.160 nan 8.240 nan 0.000 0.461 372 C N 2.207 121.603 119.300 0.160 0.000 2.370 372 C HA 0.891 5.342 4.460 -0.015 0.000 0.354 372 C C 0.582 175.638 174.990 0.110 0.000 1.218 372 C CA -1.193 57.898 59.018 0.122 0.000 2.154 372 C CB 0.270 28.019 27.740 0.015 0.000 2.391 372 C HN 0.596 nan 8.230 nan 0.000 0.540 373 A N 1.847 124.724 122.820 0.094 0.000 2.539 373 A HA 0.783 5.094 4.320 -0.015 0.000 0.296 373 A C -1.622 176.034 177.584 0.119 0.000 1.073 373 A CA -0.426 51.614 52.037 0.004 0.000 0.700 373 A CB 1.105 20.109 19.000 0.007 0.000 1.296 373 A HN 0.956 nan 8.150 nan 0.000 0.405 374 Y N 0.949 121.197 120.300 -0.086 0.000 2.361 374 Y HA 0.630 5.171 4.550 -0.015 0.000 0.337 374 Y C -0.604 175.269 175.900 -0.045 0.000 0.965 374 Y CA -0.305 57.752 58.100 -0.072 0.000 1.091 374 Y CB 2.081 40.453 38.460 -0.147 0.000 1.182 374 Y HN 0.577 nan 8.280 nan 0.000 0.450 375 T N 6.531 120.845 114.554 -0.401 0.000 2.758 375 T HA 0.194 4.535 4.350 -0.015 0.000 0.285 375 T C -0.746 173.474 174.700 -0.800 0.000 0.981 375 T CA -0.787 61.021 62.100 -0.486 0.000 0.965 375 T CB 0.479 69.304 68.868 -0.072 0.000 0.927 375 T HN 0.650 nan 8.240 nan 0.000 0.448 376 N N 1.706 119.937 118.700 -0.781 0.000 2.498 376 N HA 0.130 4.861 4.740 -0.015 0.000 0.287 376 N C 0.036 175.404 175.510 -0.236 0.000 1.097 376 N CA -0.306 52.523 53.050 -0.369 0.000 0.973 376 N CB 0.749 39.196 38.487 -0.067 0.000 1.153 376 N HN 0.676 nan 8.380 nan 0.000 0.472 377 H N 0.835 119.940 119.070 0.059 0.000 3.058 377 H HA 0.162 4.709 4.556 -0.015 0.000 0.266 377 H C -0.210 175.051 175.328 -0.112 0.000 1.135 377 H CA -0.024 56.004 56.048 -0.032 0.000 1.174 377 H CB 1.177 30.925 29.762 -0.023 0.000 1.581 377 H HN 0.520 nan 8.280 nan 0.000 0.553 378 T N 0.261 114.859 114.554 0.074 0.000 2.886 378 T HA 0.223 4.564 4.350 -0.015 0.000 0.330 378 T C 0.500 175.244 174.700 0.075 0.000 1.488 378 T CA -0.348 61.746 62.100 -0.010 0.000 1.054 378 T CB 1.366 70.212 68.868 -0.036 0.000 1.348 378 T HN -0.045 nan 8.240 nan 0.000 0.489 379 V N 1.677 121.593 119.914 0.003 0.000 3.643 379 V HA 0.549 4.660 4.120 -0.015 0.000 0.280 379 V C 0.794 176.858 176.094 -0.050 0.000 1.351 379 V CA 0.023 62.308 62.300 -0.025 0.000 1.073 379 V CB -0.450 31.357 31.823 -0.028 0.000 0.863 379 V HN 0.703 nan 8.190 nan 0.000 0.436 380 L N 3.128 124.313 121.223 -0.062 0.000 2.534 380 L HA 0.201 4.532 4.340 -0.015 0.000 0.271 380 L C -0.585 176.299 176.870 0.023 0.000 1.178 380 L CA -0.963 53.866 54.840 -0.019 0.000 0.907 380 L CB 0.937 42.971 42.059 -0.041 0.000 1.164 380 L HN 0.149 nan 8.230 nan 0.000 0.482 381 P HA -0.207 nan 4.420 nan 0.000 0.217 381 P C 1.002 178.339 177.300 0.062 0.000 1.150 381 P CA 1.170 64.288 63.100 0.030 0.000 0.832 381 P CB 0.041 31.759 31.700 0.030 0.000 0.787 382 E N 0.472 120.751 120.200 0.132 0.000 2.409 382 E HA -0.088 4.252 4.350 -0.015 0.000 0.198 382 E C 1.659 178.369 176.600 0.184 0.000 1.024 382 E CA 1.175 57.708 56.400 0.221 0.000 0.861 382 E CB -0.771 29.167 29.700 0.397 0.000 0.788 382 E HN 0.201 nan 8.360 nan 0.000 0.521 383 A N 1.417 124.314 122.820 0.128 0.000 2.081 383 A HA 0.186 4.497 4.320 -0.015 0.000 0.214 383 A C 1.503 179.092 177.584 0.008 0.000 1.158 383 A CA -0.214 51.887 52.037 0.106 0.000 0.724 383 A CB -0.190 18.874 19.000 0.107 0.000 0.826 383 A HN 0.180 nan 8.150 nan 0.000 0.463 384 L N 1.642 122.829 121.223 -0.061 0.000 2.499 384 L HA 0.044 4.375 4.340 -0.015 0.000 0.273 384 L C -0.012 176.527 176.870 -0.552 0.000 1.195 384 L CA -0.058 54.674 54.840 -0.181 0.000 0.882 384 L CB 0.302 42.284 42.059 -0.128 0.000 1.133 384 L HN 0.369 nan 8.230 nan 0.000 0.483 385 E N 4.301 124.078 120.200 -0.706 0.000 2.217 385 E HA 0.169 4.510 4.350 -0.015 0.000 0.279 385 E C -0.503 175.440 176.600 -1.094 0.000 1.068 385 E CA -0.069 55.452 56.400 -1.466 0.000 0.882 385 E CB 0.614 29.842 29.700 -0.787 0.000 1.039 385 E HN 0.382 nan 8.360 nan 0.000 0.418 386 R N 3.712 123.415 120.500 -1.328 0.000 2.415 386 R HA 0.180 4.511 4.340 -0.015 0.000 0.292 386 R C -1.262 174.858 176.300 -0.300 0.000 1.295 386 R CA -0.521 55.262 56.100 -0.528 0.000 1.137 386 R CB 0.712 30.839 30.300 -0.289 0.000 1.135 386 R HN 0.455 nan 8.270 nan 0.000 0.560 387 W N 4.532 125.783 121.300 -0.082 0.000 2.356 387 W HA 0.238 4.889 4.660 -0.015 0.000 0.311 387 W C -1.830 174.664 176.519 -0.042 0.000 1.328 387 W CA -2.113 55.243 57.345 0.019 0.000 1.251 387 W CB 0.633 30.083 29.460 -0.017 0.000 1.280 387 W HN 0.240 nan 8.180 nan 0.000 0.524 388 P HA -0.123 nan 4.420 nan 0.000 0.262 388 P C 0.859 178.096 177.300 -0.106 0.000 1.182 388 P CA 0.336 63.405 63.100 -0.053 0.000 0.761 388 P CB 0.679 32.172 31.700 -0.345 0.000 0.795 389 V N 3.474 123.376 119.914 -0.021 0.000 2.392 389 V HA -0.292 3.819 4.120 -0.015 0.000 0.249 389 V C 2.162 178.261 176.094 0.008 0.000 1.059 389 V CA 2.606 64.919 62.300 0.022 0.000 1.051 389 V CB -1.650 30.250 31.823 0.129 0.000 0.658 389 V HN 0.763 nan 8.190 nan 0.000 0.455 390 H N -1.181 117.951 119.070 0.103 0.000 2.456 390 H HA -0.094 4.453 4.556 -0.015 0.000 0.296 390 H C 2.027 177.407 175.328 0.086 0.000 1.079 390 H CA 1.643 57.746 56.048 0.092 0.000 1.322 390 H CB -0.595 29.222 29.762 0.090 0.000 1.388 390 H HN 0.364 nan 8.280 nan 0.000 0.538 391 L N -0.021 121.070 121.223 -0.221 0.000 2.027 391 L HA -0.100 4.231 4.340 -0.015 0.000 0.206 391 L C 2.302 179.134 176.870 -0.063 0.000 1.074 391 L CA 1.094 55.897 54.840 -0.061 0.000 0.745 391 L CB -0.208 41.805 42.059 -0.077 0.000 0.898 391 L HN 0.333 nan 8.230 nan 0.000 0.433 392 L N -0.842 120.320 121.223 -0.103 0.000 2.141 392 L HA -0.209 4.122 4.340 -0.015 0.000 0.209 392 L C 2.425 179.237 176.870 -0.097 0.000 1.094 392 L CA 0.940 55.691 54.840 -0.148 0.000 0.763 392 L CB -0.426 41.532 42.059 -0.167 0.000 0.908 392 L HN 0.306 nan 8.230 nan 0.000 0.437 393 E N -0.173 120.014 120.200 -0.023 0.000 2.038 393 E HA -0.222 4.118 4.350 -0.015 0.000 0.195 393 E C 1.989 178.629 176.600 0.066 0.000 1.000 393 E CA 2.109 58.528 56.400 0.031 0.000 0.803 393 E CB 0.111 29.869 29.700 0.096 0.000 0.750 393 E HN 0.421 nan 8.360 nan 0.000 0.448 394 T N 0.765 115.383 114.554 0.107 0.000 2.770 394 T HA -0.105 4.236 4.350 -0.015 0.000 0.263 394 T C 1.768 176.587 174.700 0.198 0.000 1.039 394 T CA 0.840 63.055 62.100 0.191 0.000 1.142 394 T CB -0.171 68.839 68.868 0.238 0.000 0.868 394 T HN 0.057 nan 8.240 nan 0.000 0.435 395 L N -0.056 121.183 121.223 0.026 0.000 2.095 395 L HA 0.335 4.666 4.340 -0.015 0.000 0.204 395 L C 0.525 177.342 176.870 -0.088 0.000 1.080 395 L CA 1.593 56.329 54.840 -0.173 0.000 0.759 395 L CB 0.006 41.927 42.059 -0.230 0.000 0.914 395 L HN 0.182 nan 8.230 nan 0.000 0.439 396 L N 0.693 121.824 121.223 -0.153 0.000 2.625 396 L HA 0.284 4.615 4.340 -0.015 0.000 0.255 396 L C -1.678 175.008 176.870 -0.306 0.000 1.493 396 L CA -0.925 53.736 54.840 -0.298 0.000 0.796 396 L CB 0.811 42.547 42.059 -0.538 0.000 1.064 396 L HN -0.032 nan 8.230 nan 0.000 0.516 397 P HA -0.201 nan 4.420 nan 0.000 0.216 397 P C 1.459 178.568 177.300 -0.317 0.000 1.150 397 P CA 1.147 64.131 63.100 -0.193 0.000 0.837 397 P CB 0.381 32.042 31.700 -0.064 0.000 0.786 398 R N -0.059 120.070 120.500 -0.619 0.000 2.075 398 R HA -0.137 4.194 4.340 -0.015 0.000 0.232 398 R C 2.314 178.306 176.300 -0.514 0.000 1.126 398 R CA 1.666 57.401 56.100 -0.610 0.000 0.963 398 R CB -1.676 28.084 30.300 -0.901 0.000 0.858 398 R HN 0.241 nan 8.270 nan 0.000 0.435 399 H N -0.283 118.472 119.070 -0.525 0.000 2.387 399 H HA -0.061 4.486 4.556 -0.015 0.000 0.299 399 H C 1.808 176.961 175.328 -0.293 0.000 1.090 399 H CA 1.635 57.460 56.048 -0.372 0.000 1.332 399 H CB -0.109 29.395 29.762 -0.430 0.000 1.386 399 H HN 0.094 nan 8.280 nan 0.000 0.516 400 L N 0.486 121.580 121.223 -0.215 0.000 2.046 400 L HA -0.246 4.085 4.340 -0.015 0.000 0.208 400 L C 1.901 178.560 176.870 -0.353 0.000 1.077 400 L CA 1.586 56.226 54.840 -0.333 0.000 0.747 400 L CB -0.281 41.598 42.059 -0.301 0.000 0.896 400 L HN 0.453 nan 8.230 nan 0.000 0.432 401 Q N -0.316 119.392 119.800 -0.154 0.000 2.084 401 Q HA -0.231 4.100 4.340 -0.015 0.000 0.202 401 Q C 2.161 178.173 176.000 0.021 0.000 0.978 401 Q CA 1.608 57.413 55.803 0.003 0.000 0.844 401 Q CB -0.100 28.648 28.738 0.017 0.000 0.898 401 Q HN 0.551 nan 8.270 nan 0.000 0.426 402 I N 0.385 120.950 120.570 -0.008 0.000 2.315 402 I HA -0.267 3.894 4.170 -0.015 0.000 0.248 402 I C 2.126 178.319 176.117 0.127 0.000 1.117 402 I CA 1.006 62.388 61.300 0.135 0.000 1.404 402 I CB -0.138 37.894 38.000 0.053 0.000 1.071 402 I HN 0.189 nan 8.210 nan 0.000 0.419 403 I N -0.488 120.069 120.570 -0.021 0.000 2.179 403 I HA -0.314 3.847 4.170 -0.015 0.000 0.242 403 I C 2.415 178.544 176.117 0.020 0.000 1.088 403 I CA 1.439 62.715 61.300 -0.040 0.000 1.357 403 I CB -0.425 37.484 38.000 -0.153 0.000 1.051 403 I HN 0.140 nan 8.210 nan 0.000 0.409 404 Y N 0.911 121.219 120.300 0.014 0.000 2.165 404 Y HA -0.285 4.256 4.550 -0.015 0.000 0.286 404 Y C 2.610 178.479 175.900 -0.051 0.000 1.155 404 Y CA 1.559 59.652 58.100 -0.011 0.000 1.164 404 Y CB -0.842 37.604 38.460 -0.023 0.000 0.978 404 Y HN 0.194 nan 8.280 nan 0.000 0.513 405 E N 0.401 120.642 120.200 0.069 0.000 2.077 405 E HA -0.148 4.193 4.350 -0.015 0.000 0.193 405 E C 2.103 178.619 176.600 -0.139 0.000 0.989 405 E CA 1.308 57.607 56.400 -0.170 0.000 0.800 405 E CB -0.562 28.875 29.700 -0.437 0.000 0.746 405 E HN 0.471 nan 8.360 nan 0.000 0.452 406 I N 0.716 121.318 120.570 0.054 0.000 2.163 406 I HA -0.318 3.843 4.170 -0.015 0.000 0.243 406 I C 2.297 178.420 176.117 0.010 0.000 1.085 406 I CA 1.529 62.817 61.300 -0.020 0.000 1.347 406 I CB -0.433 37.567 38.000 -0.000 0.000 1.044 406 I HN 0.212 nan 8.210 nan 0.000 0.408 407 N N 0.606 119.358 118.700 0.086 0.000 2.120 407 N HA -0.265 4.466 4.740 -0.015 0.000 0.188 407 N C 1.874 177.472 175.510 0.146 0.000 1.024 407 N CA 1.509 54.657 53.050 0.163 0.000 0.852 407 N CB -0.171 38.430 38.487 0.190 0.000 1.003 407 N HN 0.333 nan 8.380 nan 0.000 0.424 408 Q N 0.124 119.956 119.800 0.053 0.000 2.050 408 Q HA -0.141 4.190 4.340 -0.015 0.000 0.202 408 Q C 1.956 177.941 176.000 -0.025 0.000 0.980 408 Q CA 1.387 57.185 55.803 -0.007 0.000 0.840 408 Q CB -0.028 28.666 28.738 -0.075 0.000 0.898 408 Q HN 0.392 nan 8.270 nan 0.000 0.424 409 R N -0.736 119.726 120.500 -0.064 0.000 2.115 409 R HA -0.109 4.222 4.340 -0.015 0.000 0.230 409 R C 2.142 178.459 176.300 0.027 0.000 1.111 409 R CA 1.245 57.302 56.100 -0.073 0.000 0.976 409 R CB -0.294 29.907 30.300 -0.165 0.000 0.870 409 R HN 0.276 nan 8.270 nan 0.000 0.445 410 F N 1.228 121.147 119.950 -0.052 0.000 2.163 410 F HA -0.064 4.454 4.527 -0.015 0.000 0.297 410 F C 1.770 177.588 175.800 0.031 0.000 1.094 410 F CA 1.271 59.288 58.000 0.028 0.000 1.290 410 F CB -0.074 38.975 39.000 0.082 0.000 1.017 410 F HN -0.122 nan 8.300 nan 0.000 0.483 411 L N 0.003 121.243 121.223 0.028 0.000 2.201 411 L HA -0.202 4.129 4.340 -0.015 0.000 0.212 411 L C 1.906 178.715 176.870 -0.101 0.000 1.105 411 L CA 1.402 56.203 54.840 -0.065 0.000 0.775 411 L CB -0.876 41.205 42.059 0.037 0.000 0.913 411 L HN 0.241 nan 8.230 nan 0.000 0.440 412 N N -0.110 118.544 118.700 -0.077 0.000 2.166 412 N HA -0.166 4.565 4.740 -0.015 0.000 0.186 412 N C 1.909 177.359 175.510 -0.099 0.000 1.019 412 N CA 0.845 53.850 53.050 -0.076 0.000 0.856 412 N CB -0.015 38.434 38.487 -0.063 0.000 0.993 412 N HN 0.283 nan 8.380 nan 0.000 0.426 413 R N 0.534 120.952 120.500 -0.138 0.000 2.075 413 R HA -0.036 4.295 4.340 -0.015 0.000 0.232 413 R C 2.173 178.358 176.300 -0.191 0.000 1.126 413 R CA 0.839 56.847 56.100 -0.153 0.000 0.963 413 R CB -0.315 29.892 30.300 -0.155 0.000 0.858 413 R HN 0.093 nan 8.270 nan 0.000 0.435 414 V N 1.033 120.785 119.914 -0.270 0.000 2.295 414 V HA -0.241 3.870 4.120 -0.015 0.000 0.246 414 V C 2.469 178.550 176.094 -0.021 0.000 1.049 414 V CA 1.992 64.204 62.300 -0.146 0.000 1.024 414 V CB -0.771 30.912 31.823 -0.233 0.000 0.648 414 V HN 0.393 nan 8.190 nan 0.000 0.447 415 A N 0.109 122.894 122.820 -0.057 0.000 1.908 415 A HA -0.141 4.169 4.320 -0.015 0.000 0.218 415 A C 2.402 179.959 177.584 -0.044 0.000 1.181 415 A CA 2.199 54.219 52.037 -0.028 0.000 0.627 415 A CB -0.790 18.187 19.000 -0.038 0.000 0.818 415 A HN 0.590 nan 8.150 nan 0.000 0.445 416 A N -0.595 122.179 122.820 -0.077 0.000 1.969 416 A HA 0.250 4.561 4.320 -0.015 0.000 0.218 416 A C 2.374 179.867 177.584 -0.150 0.000 1.169 416 A CA 1.871 53.852 52.037 -0.093 0.000 0.635 416 A CB -0.677 18.272 19.000 -0.086 0.000 0.810 416 A HN 0.994 nan 8.150 nan 0.000 0.445 417 A N -1.731 120.956 122.820 -0.223 0.000 1.984 417 A HA 0.405 4.716 4.320 -0.015 0.000 0.214 417 A C 0.414 177.563 177.584 -0.726 0.000 1.173 417 A CA 0.464 52.208 52.037 -0.488 0.000 0.673 417 A CB -0.087 18.550 19.000 -0.605 0.000 0.830 417 A HN 0.408 nan 8.150 nan 0.000 0.453 418 F N 0.232 120.134 119.950 -0.081 0.000 2.622 418 F HA 0.355 4.873 4.527 -0.015 0.000 0.338 418 F C -2.794 172.969 175.800 -0.061 0.000 1.334 418 F CA -2.897 55.061 58.000 -0.070 0.000 1.179 418 F CB 0.841 39.792 39.000 -0.082 0.000 1.471 418 F HN -0.062 nan 8.300 nan 0.000 0.576 419 P HA 0.210 nan 4.420 nan 0.000 0.268 419 P C 0.999 178.320 177.300 0.034 0.000 1.204 419 P CA 0.823 63.935 63.100 0.020 0.000 0.768 419 P CB 0.978 32.672 31.700 -0.010 0.000 0.842 420 G N 2.331 111.144 108.800 0.020 0.000 2.184 420 G HA2 -0.247 3.704 3.960 -0.015 0.000 0.264 420 G HA3 -0.247 3.704 3.960 -0.015 0.000 0.264 420 G C 0.311 175.221 174.900 0.016 0.000 0.975 420 G CA 0.059 45.167 45.100 0.014 0.000 0.642 420 G HN 0.607 nan 8.290 nan 0.000 0.536 421 D N 1.297 121.714 120.400 0.029 0.000 2.551 421 D HA 0.383 5.014 4.640 -0.015 0.000 0.223 421 D C 2.089 178.382 176.300 -0.013 0.000 1.144 421 D CA 0.377 54.381 54.000 0.007 0.000 1.025 421 D CB 0.375 41.180 40.800 0.008 0.000 1.085 421 D HN 0.559 nan 8.370 nan 0.000 0.506 422 V N 0.662 120.570 119.914 -0.010 0.000 2.515 422 V HA -0.144 3.967 4.120 -0.015 0.000 0.250 422 V C 1.777 177.862 176.094 -0.015 0.000 1.058 422 V CA 1.538 63.832 62.300 -0.010 0.000 1.064 422 V CB -0.475 31.345 31.823 -0.005 0.000 0.675 422 V HN 0.213 nan 8.190 nan 0.000 0.461 423 D N 0.227 120.614 120.400 -0.022 0.000 2.183 423 D HA -0.142 4.489 4.640 -0.015 0.000 0.203 423 D C 2.325 178.601 176.300 -0.040 0.000 0.969 423 D CA 1.116 55.104 54.000 -0.021 0.000 0.842 423 D CB -0.172 40.617 40.800 -0.019 0.000 0.957 423 D HN 0.430 nan 8.370 nan 0.000 0.484 424 R N -0.062 120.391 120.500 -0.079 0.000 2.091 424 R HA -0.120 4.211 4.340 -0.015 0.000 0.238 424 R C 2.230 178.470 176.300 -0.100 0.000 1.136 424 R CA 1.003 57.022 56.100 -0.135 0.000 0.959 424 R CB -0.287 29.876 30.300 -0.228 0.000 0.856 424 R HN 0.254 nan 8.270 nan 0.000 0.437 425 L N 0.518 121.707 121.223 -0.058 0.000 2.013 425 L HA -0.241 4.090 4.340 -0.015 0.000 0.212 425 L C 2.715 179.595 176.870 0.016 0.000 1.073 425 L CA 2.068 56.894 54.840 -0.025 0.000 0.753 425 L CB -0.521 41.532 42.059 -0.010 0.000 0.890 425 L HN 0.326 nan 8.230 nan 0.000 0.432 426 R N -0.095 120.419 120.500 0.024 0.000 2.115 426 R HA -0.086 4.245 4.340 -0.015 0.000 0.226 426 R C 2.178 178.534 176.300 0.093 0.000 1.100 426 R CA 0.876 57.013 56.100 0.061 0.000 0.980 426 R CB -0.511 29.819 30.300 0.049 0.000 0.875 426 R HN 0.180 nan 8.270 nan 0.000 0.445 427 R N 0.225 120.762 120.500 0.060 0.000 2.092 427 R HA 0.074 4.405 4.340 -0.015 0.000 0.231 427 R C 1.959 178.336 176.300 0.129 0.000 1.119 427 R CA 1.843 58.002 56.100 0.097 0.000 0.970 427 R CB -0.185 30.133 30.300 0.030 0.000 0.864 427 R HN 0.342 nan 8.270 nan 0.000 0.440 428 M N -0.029 119.568 119.600 -0.006 0.000 2.502 428 M HA 0.055 4.526 4.480 -0.015 0.000 0.243 428 M C 0.782 177.196 176.300 0.189 0.000 1.130 428 M CA -0.048 55.170 55.300 -0.137 0.000 1.055 428 M CB 0.558 32.938 32.600 -0.367 0.000 1.457 428 M HN -0.091 nan 8.290 nan 0.000 0.488 429 S N 1.092 116.940 115.700 0.247 0.000 2.558 429 S HA 0.089 4.550 4.470 -0.015 0.000 0.288 429 S C 1.173 176.028 174.600 0.424 0.000 1.318 429 S CA -0.270 58.109 58.200 0.300 0.000 1.056 429 S CB 0.599 63.925 63.200 0.211 0.000 0.853 429 S HN 0.367 nan 8.310 nan 0.000 0.505 430 L N 4.155 125.575 121.223 0.327 0.000 2.217 430 L HA 0.084 4.415 4.340 -0.015 0.000 0.211 430 L C 0.421 177.406 176.870 0.192 0.000 1.107 430 L CA 0.376 55.373 54.840 0.262 0.000 0.783 430 L CB -0.449 41.699 42.059 0.150 0.000 0.919 430 L HN 0.408 nan 8.230 nan 0.000 0.442 431 V N 0.962 120.999 119.914 0.206 0.000 2.406 431 V HA 0.128 4.239 4.120 -0.015 0.000 0.272 431 V C 0.114 176.303 176.094 0.159 0.000 1.043 431 V CA -0.463 61.949 62.300 0.186 0.000 0.915 431 V CB 1.164 33.132 31.823 0.241 0.000 0.988 431 V HN 0.185 nan 8.190 nan 0.000 0.466 432 E N 3.373 123.646 120.200 0.122 0.000 2.115 432 E HA 0.348 4.689 4.350 -0.015 0.000 0.282 432 E C -0.572 176.084 176.600 0.094 0.000 0.987 432 E CA -0.529 55.933 56.400 0.103 0.000 0.797 432 E CB 1.553 31.294 29.700 0.068 0.000 1.086 432 E HN 0.629 nan 8.360 nan 0.000 0.397 433 E N 1.084 121.336 120.200 0.087 0.000 2.374 433 E HA 0.535 4.876 4.350 -0.015 0.000 0.260 433 E C 0.198 176.837 176.600 0.066 0.000 1.101 433 E CA 0.434 56.878 56.400 0.074 0.000 0.907 433 E CB 1.290 31.026 29.700 0.061 0.000 1.014 433 E HN 0.646 nan 8.360 nan 0.000 0.427 434 G N -0.314 108.524 108.800 0.063 0.000 2.351 434 G HA2 0.318 4.269 3.960 -0.015 0.000 0.279 434 G HA3 0.318 4.269 3.960 -0.015 0.000 0.279 434 G C 0.228 175.164 174.900 0.060 0.000 1.297 434 G CA -0.023 45.111 45.100 0.058 0.000 0.886 434 G HN 0.526 nan 8.290 nan 0.000 0.493 435 A N -1.080 121.774 122.820 0.058 0.000 1.883 435 A HA 0.336 4.647 4.320 -0.015 0.000 0.217 435 A C 1.507 179.137 177.584 0.077 0.000 1.186 435 A CA 3.131 55.203 52.037 0.058 0.000 0.624 435 A CB -1.027 18.005 19.000 0.053 0.000 0.822 435 A HN 2.188 nan 8.150 nan 0.000 0.444 436 V N -2.897 117.073 119.914 0.094 0.000 2.448 436 V HA 0.486 4.597 4.120 -0.015 0.000 0.295 436 V C -0.468 175.697 176.094 0.118 0.000 1.025 436 V CA -1.452 60.926 62.300 0.131 0.000 0.859 436 V CB 1.377 33.305 31.823 0.175 0.000 0.988 436 V HN 0.256 nan 8.190 nan 0.000 0.431 437 K N 3.931 124.408 120.400 0.129 0.000 2.448 437 K HA 0.408 4.719 4.320 -0.015 0.000 0.278 437 K C -0.272 176.394 176.600 0.111 0.000 1.009 437 K CA 0.033 56.393 56.287 0.121 0.000 0.995 437 K CB 0.743 33.328 32.500 0.142 0.000 0.917 437 K HN 0.728 nan 8.250 nan 0.000 0.481 438 R N 1.713 122.268 120.500 0.093 0.000 2.837 438 R HA 0.466 4.796 4.340 -0.015 0.000 0.271 438 R C -0.578 175.761 176.300 0.064 0.000 0.993 438 R CA -1.015 55.127 56.100 0.070 0.000 0.931 438 R CB 1.304 31.626 30.300 0.036 0.000 1.206 438 R HN 0.370 nan 8.270 nan 0.000 0.474 439 I N 1.943 122.546 120.570 0.056 0.000 2.336 439 I HA 0.158 4.319 4.170 -0.015 0.000 0.292 439 I C -0.091 176.009 176.117 -0.029 0.000 0.991 439 I CA -0.696 60.625 61.300 0.034 0.000 1.227 439 I CB 1.026 39.045 38.000 0.033 0.000 1.366 439 I HN 0.491 nan 8.210 nan 0.000 0.466 440 N N 7.002 125.659 118.700 -0.072 0.000 2.401 440 N HA 0.116 4.847 4.740 -0.015 0.000 0.255 440 N C 0.724 176.131 175.510 -0.171 0.000 1.110 440 N CA -0.313 52.611 53.050 -0.210 0.000 0.949 440 N CB 1.050 39.270 38.487 -0.445 0.000 1.110 440 N HN 0.382 nan 8.380 nan 0.000 0.490 441 M N 2.426 121.920 119.600 -0.176 0.000 2.349 441 M HA -0.003 4.468 4.480 -0.015 0.000 0.266 441 M C 1.936 178.079 176.300 -0.262 0.000 1.076 441 M CA 0.563 55.777 55.300 -0.144 0.000 1.126 441 M CB -1.506 31.058 32.600 -0.060 0.000 1.392 441 M HN 0.599 nan 8.290 nan 0.000 0.440 442 A N -0.188 122.467 122.820 -0.275 0.000 1.902 442 A HA -0.184 4.127 4.320 -0.015 0.000 0.217 442 A C 1.994 179.318 177.584 -0.434 0.000 1.181 442 A CA 1.583 53.402 52.037 -0.363 0.000 0.623 442 A CB -1.180 17.811 19.000 -0.015 0.000 0.818 442 A HN 0.588 nan 8.150 nan 0.000 0.443 443 H N -1.067 117.772 119.070 -0.385 0.000 2.353 443 H HA -0.052 4.495 4.556 -0.015 0.000 0.300 443 H C 2.136 177.230 175.328 -0.390 0.000 1.090 443 H CA 0.974 56.762 56.048 -0.434 0.000 1.327 443 H CB -0.084 29.646 29.762 -0.053 0.000 1.383 443 H HN 0.361 nan 8.280 nan 0.000 0.508 444 L N 0.435 121.569 121.223 -0.148 0.000 2.012 444 L HA -0.241 4.090 4.340 -0.015 0.000 0.210 444 L C 2.301 179.033 176.870 -0.229 0.000 1.073 444 L CA 1.387 56.139 54.840 -0.146 0.000 0.748 444 L CB -0.450 41.552 42.059 -0.095 0.000 0.891 444 L HN 0.463 nan 8.230 nan 0.000 0.431 445 C N 0.018 119.075 119.300 -0.405 0.000 2.429 445 C HA -0.177 4.274 4.460 -0.015 0.000 0.277 445 C C 2.673 177.412 174.990 -0.419 0.000 1.262 445 C CA 0.644 59.346 59.018 -0.526 0.000 1.733 445 C CB -0.748 26.285 27.740 -1.177 0.000 2.010 445 C HN 0.512 nan 8.230 nan 0.000 0.483 446 I N 1.449 121.720 120.570 -0.499 0.000 2.179 446 I HA -0.207 3.954 4.170 -0.015 0.000 0.242 446 I C 2.756 178.749 176.117 -0.208 0.000 1.088 446 I CA 1.690 62.753 61.300 -0.396 0.000 1.357 446 I CB -0.595 37.034 38.000 -0.618 0.000 1.051 446 I HN 0.271 nan 8.210 nan 0.000 0.409 447 A N 0.606 123.279 122.820 -0.244 0.000 1.933 447 A HA -0.108 4.203 4.320 -0.015 0.000 0.218 447 A C 2.244 179.905 177.584 0.128 0.000 1.175 447 A CA 1.928 53.883 52.037 -0.137 0.000 0.628 447 A CB -1.193 17.513 19.000 -0.490 0.000 0.814 447 A HN 0.486 nan 8.150 nan 0.000 0.444 448 G N -1.289 107.508 108.800 -0.004 0.000 3.189 448 G HA2 0.404 4.354 3.960 -0.015 0.000 0.225 448 G HA3 0.404 4.354 3.960 -0.015 0.000 0.225 448 G C 0.141 174.887 174.900 -0.257 0.000 1.159 448 G CA 0.505 45.480 45.100 -0.208 0.000 0.763 448 G HN 0.353 nan 8.290 nan 0.000 0.549 449 S N -0.238 115.370 115.700 -0.153 0.000 2.536 449 S HA 0.315 4.776 4.470 -0.015 0.000 0.298 449 S C 0.769 175.329 174.600 -0.066 0.000 1.083 449 S CA -0.700 57.435 58.200 -0.109 0.000 0.995 449 S CB 1.279 64.416 63.200 -0.105 0.000 1.058 449 S HN 0.504 nan 8.310 nan 0.000 0.488 450 H N 0.093 119.136 119.070 -0.044 0.000 2.548 450 H HA 0.460 5.007 4.556 -0.015 0.000 0.268 450 H C 0.134 175.468 175.328 0.009 0.000 0.975 450 H CA 0.316 56.367 56.048 0.006 0.000 1.195 450 H CB 0.146 29.920 29.762 0.020 0.000 1.397 450 H HN 0.507 nan 8.280 nan 0.000 0.572 451 A N 1.060 123.575 122.820 -0.508 0.000 2.488 451 A HA 0.550 4.861 4.320 -0.015 0.000 0.298 451 A C -1.381 176.009 177.584 -0.324 0.000 1.044 451 A CA -0.587 51.216 52.037 -0.389 0.000 0.693 451 A CB 2.225 20.960 19.000 -0.441 0.000 1.272 451 A HN 0.096 nan 8.150 nan 0.000 0.402 452 V N 4.277 123.965 119.914 -0.376 0.000 2.531 452 V HA 0.529 4.640 4.120 -0.015 0.000 0.301 452 V C -0.669 175.236 176.094 -0.315 0.000 1.034 452 V CA -0.762 61.298 62.300 -0.400 0.000 0.865 452 V CB 1.746 33.157 31.823 -0.687 0.000 0.995 452 V HN 1.004 nan 8.190 nan 0.000 0.424 453 N N 3.251 121.783 118.700 -0.280 0.000 2.240 453 N HA 0.596 5.327 4.740 -0.015 0.000 0.302 453 N C -0.236 175.166 175.510 -0.180 0.000 1.106 453 N CA -0.379 52.550 53.050 -0.201 0.000 0.778 453 N CB 2.854 41.203 38.487 -0.230 0.000 1.431 453 N HN 0.622 nan 8.380 nan 0.000 0.479 454 G N -0.711 108.023 108.800 -0.110 0.000 2.535 454 G HA2 0.418 4.369 3.960 -0.015 0.000 0.303 454 G HA3 0.418 4.369 3.960 -0.015 0.000 0.303 454 G C 0.800 175.757 174.900 0.095 0.000 1.237 454 G CA -0.402 44.690 45.100 -0.012 0.000 0.986 454 G HN 0.641 nan 8.290 nan 0.000 0.494 455 V N -4.028 116.055 119.914 0.283 0.000 3.528 455 V HA 0.698 4.809 4.120 -0.015 0.000 0.294 455 V C 0.603 176.775 176.094 0.129 0.000 1.404 455 V CA 0.526 62.906 62.300 0.134 0.000 1.065 455 V CB -0.586 31.264 31.823 0.045 0.000 0.904 455 V HN 1.273 nan 8.190 nan 0.000 0.435 456 A N -0.011 122.900 122.820 0.152 0.000 2.604 456 A HA 0.662 4.973 4.320 -0.015 0.000 0.295 456 A C 0.748 178.384 177.584 0.087 0.000 1.067 456 A CA -0.147 51.956 52.037 0.110 0.000 0.683 456 A CB 1.385 20.438 19.000 0.089 0.000 1.281 456 A HN 0.019 nan 8.150 nan 0.000 0.407 457 R N 0.768 121.297 120.500 0.049 0.000 2.096 457 R HA -0.154 4.177 4.340 -0.015 0.000 0.240 457 R C 1.630 177.930 176.300 0.001 0.000 1.139 457 R CA 2.271 58.378 56.100 0.011 0.000 0.952 457 R CB -0.248 30.053 30.300 0.002 0.000 0.854 457 R HN 0.826 nan 8.270 nan 0.000 0.436 458 I N 0.280 120.859 120.570 0.015 0.000 2.286 458 I HA -0.305 3.856 4.170 -0.015 0.000 0.248 458 I C 2.364 178.494 176.117 0.022 0.000 1.115 458 I CA 1.865 63.167 61.300 0.004 0.000 1.392 458 I CB -0.226 37.775 38.000 0.000 0.000 1.065 458 I HN 0.351 nan 8.210 nan 0.000 0.418 459 H N 0.162 119.206 119.070 -0.044 0.000 2.357 459 H HA -0.113 4.434 4.556 -0.015 0.000 0.301 459 H C 2.279 177.578 175.328 -0.048 0.000 1.082 459 H CA 2.156 58.175 56.048 -0.049 0.000 1.342 459 H CB -0.223 29.514 29.762 -0.041 0.000 1.389 459 H HN 0.225 nan 8.280 nan 0.000 0.511 460 S N 0.311 115.907 115.700 -0.174 0.000 2.382 460 S HA -0.121 4.339 4.470 -0.015 0.000 0.228 460 S C 1.897 176.386 174.600 -0.186 0.000 1.027 460 S CA 1.203 59.279 58.200 -0.206 0.000 0.991 460 S CB -0.065 63.079 63.200 -0.094 0.000 0.823 460 S HN 0.489 nan 8.310 nan 0.000 0.469 461 E N 1.166 121.277 120.200 -0.148 0.000 2.072 461 E HA -0.014 4.327 4.350 -0.015 0.000 0.191 461 E C 2.029 178.521 176.600 -0.180 0.000 0.985 461 E CA 0.649 56.950 56.400 -0.165 0.000 0.801 461 E CB -0.404 29.229 29.700 -0.112 0.000 0.750 461 E HN 0.503 nan 8.360 nan 0.000 0.452 462 I N 1.048 121.528 120.570 -0.151 0.000 2.264 462 I HA -0.284 3.877 4.170 -0.015 0.000 0.248 462 I C 2.389 178.389 176.117 -0.195 0.000 1.111 462 I CA 0.840 62.053 61.300 -0.144 0.000 1.382 462 I CB -0.220 37.725 38.000 -0.091 0.000 1.060 462 I HN 0.063 nan 8.210 nan 0.000 0.418 463 L N 0.265 121.342 121.223 -0.243 0.000 2.046 463 L HA -0.217 4.114 4.340 -0.015 0.000 0.208 463 L C 2.464 179.240 176.870 -0.157 0.000 1.077 463 L CA 1.508 56.234 54.840 -0.189 0.000 0.747 463 L CB -0.550 41.475 42.059 -0.057 0.000 0.896 463 L HN 0.201 nan 8.230 nan 0.000 0.432 464 K N 0.022 120.242 120.400 -0.301 0.000 2.217 464 K HA -0.103 4.208 4.320 -0.015 0.000 0.202 464 K C 1.924 178.320 176.600 -0.341 0.000 1.051 464 K CA 0.939 56.886 56.287 -0.566 0.000 0.952 464 K CB 0.096 32.003 32.500 -0.987 0.000 0.736 464 K HN 0.283 nan 8.250 nan 0.000 0.453 465 K N -0.184 120.081 120.400 -0.225 0.000 2.334 465 K HA 0.006 4.317 4.320 -0.015 0.000 0.195 465 K C 1.710 178.258 176.600 -0.086 0.000 1.045 465 K CA 1.106 57.315 56.287 -0.131 0.000 1.004 465 K CB 0.684 33.116 32.500 -0.115 0.000 0.837 465 K HN 0.219 nan 8.250 nan 0.000 0.510 466 T N -1.260 113.233 114.554 -0.103 0.000 3.409 466 T HA 0.075 4.416 4.350 -0.015 0.000 0.188 466 T C 1.903 176.552 174.700 -0.084 0.000 0.929 466 T CA -0.079 61.971 62.100 -0.084 0.000 1.184 466 T CB -0.732 68.081 68.868 -0.092 0.000 1.570 466 T HN 0.097 nan 8.240 nan 0.000 0.367 467 I N -0.929 119.525 120.570 -0.193 0.000 2.493 467 I HA 0.236 4.397 4.170 -0.015 0.000 0.254 467 I C 1.342 177.377 176.117 -0.137 0.000 1.160 467 I CA 1.330 62.466 61.300 -0.273 0.000 1.445 467 I CB -0.596 37.084 38.000 -0.534 0.000 1.086 467 I HN 0.236 nan 8.210 nan 0.000 0.433 468 F N 0.751 120.787 119.950 0.143 0.000 2.735 468 F HA 0.347 4.865 4.527 -0.015 0.000 0.304 468 F C 1.972 177.879 175.800 0.177 0.000 1.119 468 F CA -0.640 57.523 58.000 0.273 0.000 1.280 468 F CB 0.158 39.341 39.000 0.304 0.000 0.994 468 F HN -0.114 nan 8.300 nan 0.000 0.520 469 K N 1.110 121.629 120.400 0.198 0.000 2.059 469 K HA -0.228 4.083 4.320 -0.015 0.000 0.212 469 K C 1.333 177.995 176.600 0.102 0.000 1.050 469 K CA 2.308 58.654 56.287 0.098 0.000 0.927 469 K CB -0.029 32.491 32.500 0.034 0.000 0.714 469 K HN 0.161 nan 8.250 nan 0.000 0.447 470 D N -0.138 120.304 120.400 0.071 0.000 2.123 470 D HA -0.173 4.458 4.640 -0.015 0.000 0.196 470 D C 1.834 178.071 176.300 -0.105 0.000 0.992 470 D CA 1.317 55.238 54.000 -0.132 0.000 0.833 470 D CB -0.354 40.278 40.800 -0.280 0.000 0.954 470 D HN 0.255 nan 8.370 nan 0.000 0.455 471 F N -0.184 119.860 119.950 0.156 0.000 2.146 471 F HA -0.143 4.375 4.527 -0.015 0.000 0.298 471 F C 2.366 178.321 175.800 0.258 0.000 1.096 471 F CA 0.521 58.695 58.000 0.290 0.000 1.275 471 F CB -0.694 38.561 39.000 0.425 0.000 1.008 471 F HN -0.046 nan 8.300 nan 0.000 0.480 472 Y N 1.405 121.662 120.300 -0.071 0.000 2.165 472 Y HA -0.234 4.306 4.550 -0.015 0.000 0.286 472 Y C 2.163 178.019 175.900 -0.073 0.000 1.155 472 Y CA 1.738 59.575 58.100 -0.438 0.000 1.164 472 Y CB -0.657 37.367 38.460 -0.725 0.000 0.978 472 Y HN 0.135 nan 8.280 nan 0.000 0.513 473 E N -0.460 119.673 120.200 -0.113 0.000 2.110 473 E HA -0.202 4.139 4.350 -0.015 0.000 0.193 473 E C 2.018 178.669 176.600 0.085 0.000 0.988 473 E CA 1.225 57.574 56.400 -0.085 0.000 0.804 473 E CB -0.302 29.383 29.700 -0.025 0.000 0.745 473 E HN 0.435 nan 8.360 nan 0.000 0.458 474 L N 0.895 122.211 121.223 0.155 0.000 2.072 474 L HA -0.057 4.274 4.340 -0.015 0.000 0.205 474 L C 0.209 177.145 176.870 0.110 0.000 1.079 474 L CA 1.699 56.660 54.840 0.201 0.000 0.752 474 L CB 0.350 42.525 42.059 0.193 0.000 0.906 474 L HN -0.091 nan 8.230 nan 0.000 0.436 475 E N -0.245 120.017 120.200 0.103 0.000 3.386 475 E HA 0.182 4.522 4.350 -0.015 0.000 0.236 475 E C -2.006 174.528 176.600 -0.110 0.000 1.227 475 E CA -1.209 55.154 56.400 -0.062 0.000 0.970 475 E CB 0.828 30.517 29.700 -0.019 0.000 1.343 475 E HN 0.201 nan 8.360 nan 0.000 0.397 476 P HA -0.228 nan 4.420 nan 0.000 0.220 476 P C 1.174 178.576 177.300 0.169 0.000 1.148 476 P CA 1.318 64.318 63.100 -0.167 0.000 0.803 476 P CB -0.040 31.431 31.700 -0.382 0.000 0.782 477 H N -0.105 119.084 119.070 0.199 0.000 2.491 477 H HA 0.076 4.623 4.556 -0.015 0.000 0.290 477 H C 1.732 177.168 175.328 0.181 0.000 1.050 477 H CA 0.748 56.900 56.048 0.173 0.000 1.309 477 H CB -0.548 29.282 29.762 0.114 0.000 1.392 477 H HN 0.132 nan 8.280 nan 0.000 0.554 478 K N 0.317 120.682 120.400 -0.058 0.000 2.283 478 K HA 0.010 4.321 4.320 -0.015 0.000 0.202 478 K C -0.297 176.218 176.600 -0.142 0.000 1.048 478 K CA 0.221 56.461 56.287 -0.080 0.000 0.948 478 K CB 0.107 32.455 32.500 -0.255 0.000 0.742 478 K HN 0.066 nan 8.250 nan 0.000 0.458 479 F N 1.325 121.314 119.950 0.065 0.000 2.411 479 F HA 0.247 4.765 4.527 -0.015 0.000 0.350 479 F C 0.221 176.026 175.800 0.008 0.000 1.114 479 F CA -0.396 57.636 58.000 0.054 0.000 1.135 479 F CB 1.350 40.433 39.000 0.138 0.000 1.120 479 F HN -0.093 nan 8.300 nan 0.000 0.495 480 Q N 1.786 121.621 119.800 0.059 0.000 2.544 480 Q HA 0.333 4.664 4.340 -0.015 0.000 0.291 480 Q C -1.209 174.754 176.000 -0.063 0.000 1.068 480 Q CA -1.241 54.548 55.803 -0.023 0.000 0.785 480 Q CB 3.115 31.787 28.738 -0.110 0.000 1.481 480 Q HN 0.602 nan 8.270 nan 0.000 0.430 481 N N 0.837 119.485 118.700 -0.086 0.000 2.361 481 N HA 0.253 4.984 4.740 -0.015 0.000 0.302 481 N C -1.354 174.061 175.510 -0.159 0.000 1.074 481 N CA -0.361 52.633 53.050 -0.093 0.000 0.850 481 N CB 0.880 39.333 38.487 -0.056 0.000 1.228 481 N HN 0.276 nan 8.380 nan 0.000 0.491 482 K N 2.817 123.124 120.400 -0.155 0.000 2.675 482 K HA 0.177 4.488 4.320 -0.015 0.000 0.224 482 K C -0.907 175.703 176.600 0.016 0.000 1.003 482 K CA -0.491 55.682 56.287 -0.189 0.000 1.034 482 K CB 1.195 33.355 32.500 -0.566 0.000 1.218 482 K HN 0.541 nan 8.250 nan 0.000 0.507 483 T N 2.060 116.638 114.554 0.041 0.000 2.908 483 T HA 0.018 4.359 4.350 -0.015 0.000 0.301 483 T C 0.793 175.616 174.700 0.206 0.000 1.019 483 T CA 0.445 62.618 62.100 0.122 0.000 1.152 483 T CB 0.214 69.153 68.868 0.117 0.000 0.966 483 T HN 0.359 nan 8.240 nan 0.000 0.540 484 N N 0.649 119.490 118.700 0.236 0.000 2.307 484 N HA 0.392 5.122 4.740 -0.015 0.000 0.230 484 N C 0.488 176.182 175.510 0.307 0.000 1.297 484 N CA -0.117 53.104 53.050 0.285 0.000 0.884 484 N CB 0.384 38.983 38.487 0.185 0.000 1.115 484 N HN 0.766 nan 8.380 nan 0.000 0.436 485 G N -0.541 108.452 108.800 0.322 0.000 2.682 485 G HA2 0.610 4.560 3.960 -0.015 0.000 0.290 485 G HA3 0.610 4.560 3.960 -0.015 0.000 0.290 485 G C -1.400 173.640 174.900 0.232 0.000 1.425 485 G CA -0.741 44.533 45.100 0.290 0.000 0.807 485 G HN 0.600 nan 8.290 nan 0.000 0.482 486 I N -2.309 118.380 120.570 0.199 0.000 2.689 486 I HA 0.725 4.886 4.170 -0.015 0.000 0.299 486 I C -0.091 176.185 176.117 0.266 0.000 1.059 486 I CA -0.937 60.474 61.300 0.186 0.000 1.055 486 I CB 2.474 40.472 38.000 -0.003 0.000 1.243 486 I HN 0.453 nan 8.210 nan 0.000 0.425 487 T N 4.956 119.723 114.554 0.356 0.000 2.799 487 T HA 0.308 4.649 4.350 -0.015 0.000 0.296 487 T C -1.361 173.459 174.700 0.200 0.000 0.947 487 T CA -1.418 60.815 62.100 0.221 0.000 1.141 487 T CB 0.628 69.568 68.868 0.119 0.000 0.891 487 T HN 0.626 nan 8.240 nan 0.000 0.533 488 P HA 0.027 nan 4.420 nan 0.000 0.230 488 P C 1.124 178.391 177.300 -0.054 0.000 1.158 488 P CA 0.395 63.532 63.100 0.061 0.000 0.769 488 P CB 0.357 32.076 31.700 0.032 0.000 0.807 489 R N 0.407 120.825 120.500 -0.135 0.000 2.070 489 R HA 0.004 4.335 4.340 -0.015 0.000 0.227 489 R C 2.684 178.859 176.300 -0.207 0.000 1.147 489 R CA 1.539 57.515 56.100 -0.207 0.000 0.924 489 R CB -1.272 28.904 30.300 -0.206 0.000 0.827 489 R HN 0.031 nan 8.270 nan 0.000 0.431 490 R N -0.734 119.583 120.500 -0.305 0.000 2.081 490 R HA -0.142 4.189 4.340 -0.015 0.000 0.235 490 R C 1.187 177.144 176.300 -0.571 0.000 1.131 490 R CA 1.810 57.571 56.100 -0.565 0.000 0.960 490 R CB -0.203 29.540 30.300 -0.928 0.000 0.856 490 R HN 0.318 nan 8.270 nan 0.000 0.436 491 W N -0.470 120.784 121.300 -0.077 0.000 3.353 491 W HA 0.150 4.801 4.660 -0.016 0.000 0.304 491 W C 1.029 177.514 176.519 -0.057 0.000 1.273 491 W CA -0.712 56.587 57.345 -0.077 0.000 1.773 491 W CB 0.421 29.840 29.460 -0.068 0.000 1.095 491 W HN 0.227 nan 8.180 nan 0.000 0.676 492 L N -2.246 119.032 121.223 0.092 0.000 2.681 492 L HA 0.189 4.520 4.340 -0.015 0.000 0.163 492 L C 1.817 178.699 176.870 0.020 0.000 1.188 492 L CA 0.744 55.630 54.840 0.076 0.000 0.944 492 L CB -0.876 41.254 42.059 0.119 0.000 1.835 492 L HN -0.258 nan 8.230 nan 0.000 0.510 493 V N 1.208 121.112 119.914 -0.017 0.000 2.287 493 V HA -0.292 3.819 4.120 -0.015 0.000 0.248 493 V C 2.459 178.523 176.094 -0.051 0.000 1.053 493 V CA 2.551 64.831 62.300 -0.034 0.000 1.027 493 V CB -0.729 31.043 31.823 -0.085 0.000 0.646 493 V HN 0.534 nan 8.190 nan 0.000 0.447 494 L N 0.434 121.597 121.223 -0.099 0.000 2.023 494 L HA -0.173 4.158 4.340 -0.015 0.000 0.205 494 L C 2.496 179.303 176.870 -0.107 0.000 1.073 494 L CA 2.398 57.164 54.840 -0.124 0.000 0.745 494 L CB -0.281 41.654 42.059 -0.207 0.000 0.900 494 L HN 0.641 nan 8.230 nan 0.000 0.435 495 C N -1.772 117.462 119.300 -0.110 0.000 2.533 495 C HA 0.206 4.657 4.460 -0.015 0.000 0.272 495 C C 1.234 176.208 174.990 -0.027 0.000 1.371 495 C CA -0.272 58.701 59.018 -0.076 0.000 1.758 495 C CB -1.006 26.695 27.740 -0.065 0.000 1.972 495 C HN 0.595 nan 8.230 nan 0.000 0.522 496 N N 1.293 119.987 118.700 -0.010 0.000 2.765 496 N HA 0.297 5.028 4.740 -0.015 0.000 0.277 496 N C -1.787 173.732 175.510 0.015 0.000 1.750 496 N CA -1.671 51.384 53.050 0.008 0.000 0.827 496 N CB 0.795 39.295 38.487 0.021 0.000 1.200 496 N HN 0.251 nan 8.380 nan 0.000 0.494 497 P HA -0.043 nan 4.420 nan 0.000 0.217 497 P C 1.398 178.711 177.300 0.022 0.000 1.150 497 P CA 0.908 64.016 63.100 0.014 0.000 0.832 497 P CB 0.235 31.937 31.700 0.003 0.000 0.787 498 G N 0.545 109.353 108.800 0.014 0.000 2.440 498 G HA2 -0.248 3.703 3.960 -0.015 0.000 0.218 498 G HA3 -0.248 3.703 3.960 -0.015 0.000 0.218 498 G C 1.525 176.430 174.900 0.009 0.000 1.154 498 G CA 0.682 45.787 45.100 0.008 0.000 0.767 498 G HN 0.246 nan 8.290 nan 0.000 0.552 499 L N 1.201 122.431 121.223 0.012 0.000 2.072 499 L HA 0.300 4.631 4.340 -0.015 0.000 0.205 499 L C 3.071 179.970 176.870 0.047 0.000 1.079 499 L CA 1.968 56.813 54.840 0.009 0.000 0.752 499 L CB -0.770 41.294 42.059 0.010 0.000 0.906 499 L HN 0.222 nan 8.230 nan 0.000 0.436 500 A N -0.792 122.079 122.820 0.084 0.000 1.940 500 A HA -0.261 4.050 4.320 -0.015 0.000 0.219 500 A C 2.232 179.914 177.584 0.164 0.000 1.176 500 A CA 1.888 54.029 52.037 0.173 0.000 0.631 500 A CB -0.639 18.452 19.000 0.153 0.000 0.814 500 A HN 0.546 nan 8.150 nan 0.000 0.446 501 E N 0.567 120.821 120.200 0.091 0.000 2.028 501 E HA -0.141 4.200 4.350 -0.015 0.000 0.190 501 E C 1.834 178.475 176.600 0.068 0.000 0.984 501 E CA 1.498 57.942 56.400 0.074 0.000 0.800 501 E CB -0.525 29.200 29.700 0.042 0.000 0.758 501 E HN 0.737 nan 8.360 nan 0.000 0.448 502 I N -1.576 119.026 120.570 0.053 0.000 2.454 502 I HA -0.150 4.011 4.170 -0.015 0.000 0.254 502 I C 2.119 178.311 176.117 0.124 0.000 1.156 502 I CA 1.178 62.520 61.300 0.070 0.000 1.433 502 I CB -0.330 37.681 38.000 0.019 0.000 1.082 502 I HN 0.019 nan 8.210 nan 0.000 0.432 503 I N 1.822 122.444 120.570 0.086 0.000 2.233 503 I HA -0.171 3.990 4.170 -0.015 0.000 0.243 503 I C 2.986 179.072 176.117 -0.052 0.000 1.093 503 I CA 1.280 62.565 61.300 -0.025 0.000 1.380 503 I CB -0.528 37.337 38.000 -0.225 0.000 1.067 503 I HN 0.302 nan 8.210 nan 0.000 0.413 504 A N 0.478 123.361 122.820 0.105 0.000 1.972 504 A HA -0.232 4.079 4.320 -0.015 0.000 0.219 504 A C 2.167 179.789 177.584 0.064 0.000 1.169 504 A CA 1.654 53.795 52.037 0.174 0.000 0.635 504 A CB -0.608 18.516 19.000 0.207 0.000 0.810 504 A HN 0.455 nan 8.150 nan 0.000 0.446 505 E N -0.662 119.557 120.200 0.033 0.000 2.085 505 E HA -0.218 4.123 4.350 -0.015 0.000 0.194 505 E C 2.250 178.825 176.600 -0.041 0.000 0.994 505 E CA 1.253 57.657 56.400 0.008 0.000 0.801 505 E CB -0.103 29.608 29.700 0.019 0.000 0.743 505 E HN 0.432 nan 8.360 nan 0.000 0.453 506 R N 0.174 120.590 120.500 -0.139 0.000 2.090 506 R HA 0.046 4.377 4.340 -0.015 0.000 0.219 506 R C 2.337 178.539 176.300 -0.164 0.000 1.100 506 R CA 0.921 56.850 56.100 -0.284 0.000 0.991 506 R CB -0.340 29.442 30.300 -0.862 0.000 0.893 506 R HN 0.362 nan 8.270 nan 0.000 0.443 507 I N -3.458 117.035 120.570 -0.129 0.000 4.240 507 I HA 0.446 4.607 4.170 -0.015 0.000 0.331 507 I C 0.479 176.632 176.117 0.059 0.000 1.381 507 I CA 0.132 61.411 61.300 -0.035 0.000 1.136 507 I CB 0.872 38.827 38.000 -0.075 0.000 1.137 507 I HN 0.170 nan 8.210 nan 0.000 0.411 508 G N 1.993 110.840 108.800 0.079 0.000 2.681 508 G HA2 -0.235 3.716 3.960 -0.015 0.000 0.220 508 G HA3 -0.235 3.716 3.960 -0.015 0.000 0.220 508 G C -0.011 175.017 174.900 0.215 0.000 1.353 508 G CA 0.259 45.428 45.100 0.115 0.000 0.872 508 G HN 0.436 nan 8.290 nan 0.000 0.557 509 E N -0.526 119.747 120.200 0.122 0.000 2.481 509 E HA 0.087 4.428 4.350 -0.015 0.000 0.198 509 E C 1.841 178.382 176.600 -0.098 0.000 1.027 509 E CA -0.053 56.355 56.400 0.013 0.000 0.900 509 E CB 0.252 29.956 29.700 0.007 0.000 0.993 509 E HN 0.432 nan 8.360 nan 0.000 0.482 510 E N 0.340 120.558 120.200 0.029 0.000 2.268 510 E HA -0.157 4.184 4.350 -0.015 0.000 0.195 510 E C 1.647 178.244 176.600 -0.004 0.000 0.995 510 E CA 0.694 57.106 56.400 0.019 0.000 0.836 510 E CB 0.062 29.796 29.700 0.057 0.000 0.763 510 E HN 0.498 nan 8.360 nan 0.000 0.491 511 Y N -0.876 119.428 120.300 0.007 0.000 2.333 511 Y HA -0.064 4.478 4.550 -0.014 0.000 0.290 511 Y C 1.993 177.870 175.900 -0.038 0.000 1.144 511 Y CA 0.713 58.809 58.100 -0.008 0.000 1.228 511 Y CB -0.831 37.626 38.460 -0.005 0.000 0.985 511 Y HN -0.098 nan 8.280 nan 0.000 0.542 512 I N 1.036 121.138 120.570 -0.779 0.000 2.335 512 I HA -0.256 3.904 4.170 -0.015 0.000 0.251 512 I C 1.748 177.611 176.117 -0.423 0.000 1.129 512 I CA 1.889 62.778 61.300 -0.685 0.000 1.402 512 I CB -0.437 37.066 38.000 -0.828 0.000 1.069 512 I HN 0.478 nan 8.210 nan 0.000 0.424 513 S N -2.001 113.558 115.700 -0.236 0.000 2.593 513 S HA 0.173 4.634 4.470 -0.015 0.000 0.236 513 S C 0.147 174.733 174.600 -0.023 0.000 0.991 513 S CA -0.472 57.670 58.200 -0.096 0.000 0.963 513 S CB 0.280 63.502 63.200 0.036 0.000 0.865 513 S HN 0.300 nan 8.310 nan 0.000 0.488 514 D N 0.660 121.055 120.400 -0.008 0.000 2.823 514 D HA 0.256 4.887 4.640 -0.015 0.000 0.255 514 D C 0.279 176.624 176.300 0.075 0.000 1.257 514 D CA -0.383 53.636 54.000 0.032 0.000 0.803 514 D CB 0.438 41.261 40.800 0.039 0.000 1.384 514 D HN 0.087 nan 8.370 nan 0.000 0.541 515 L N 1.296 122.562 121.223 0.072 0.000 2.362 515 L HA 0.024 4.355 4.340 -0.015 0.000 0.219 515 L C 1.458 178.379 176.870 0.085 0.000 1.134 515 L CA 1.430 56.342 54.840 0.119 0.000 0.807 515 L CB -0.050 42.073 42.059 0.107 0.000 0.927 515 L HN 0.279 nan 8.230 nan 0.000 0.447 516 D N -0.577 119.850 120.400 0.045 0.000 2.190 516 D HA -0.242 4.389 4.640 -0.015 0.000 0.200 516 D C 1.936 178.256 176.300 0.032 0.000 0.992 516 D CA 1.007 55.019 54.000 0.020 0.000 0.854 516 D CB 0.019 40.819 40.800 0.000 0.000 0.936 516 D HN 0.538 nan 8.370 nan 0.000 0.462 517 Q N -0.022 119.813 119.800 0.060 0.000 2.368 517 Q HA -0.100 4.231 4.340 -0.015 0.000 0.210 517 Q C 2.334 178.348 176.000 0.024 0.000 0.982 517 Q CA 0.316 56.155 55.803 0.060 0.000 0.884 517 Q CB -0.065 28.739 28.738 0.109 0.000 0.933 517 Q HN 0.402 nan 8.270 nan 0.000 0.460 518 L N 0.132 121.360 121.223 0.009 0.000 2.261 518 L HA -0.209 4.122 4.340 -0.015 0.000 0.216 518 L C 2.337 179.195 176.870 -0.021 0.000 1.114 518 L CA 0.898 55.706 54.840 -0.054 0.000 0.777 518 L CB -0.380 41.657 42.059 -0.038 0.000 0.910 518 L HN 0.229 nan 8.230 nan 0.000 0.440 519 R N 0.394 120.895 120.500 0.003 0.000 2.133 519 R HA -0.225 4.106 4.340 -0.015 0.000 0.247 519 R C 2.137 178.443 176.300 0.010 0.000 1.151 519 R CA 1.393 57.498 56.100 0.008 0.000 0.971 519 R CB -0.325 29.977 30.300 0.004 0.000 0.866 519 R HN 0.409 nan 8.270 nan 0.000 0.447 520 K N 0.581 120.986 120.400 0.010 0.000 2.286 520 K HA -0.141 4.170 4.320 -0.015 0.000 0.203 520 K C 1.931 178.582 176.600 0.085 0.000 1.045 520 K CA 0.992 57.299 56.287 0.034 0.000 0.935 520 K CB -0.153 32.370 32.500 0.038 0.000 0.737 520 K HN 0.249 nan 8.250 nan 0.000 0.460 521 L N 0.438 121.678 121.223 0.029 0.000 2.376 521 L HA -0.139 4.192 4.340 -0.015 0.000 0.219 521 L C 1.887 178.814 176.870 0.096 0.000 1.133 521 L CA 0.056 54.913 54.840 0.029 0.000 0.816 521 L CB -0.287 41.736 42.059 -0.060 0.000 0.933 521 L HN 0.130 nan 8.230 nan 0.000 0.449 522 L N 0.217 121.472 121.223 0.054 0.000 2.127 522 L HA -0.196 4.135 4.340 -0.015 0.000 0.211 522 L C 2.650 179.512 176.870 -0.013 0.000 1.089 522 L CA 1.963 56.821 54.840 0.030 0.000 0.757 522 L CB -1.037 41.028 42.059 0.011 0.000 0.899 522 L HN 0.372 nan 8.230 nan 0.000 0.434 523 S N -2.850 112.805 115.700 -0.075 0.000 2.650 523 S HA -0.043 4.418 4.470 -0.015 0.000 0.219 523 S C 1.134 175.460 174.600 -0.457 0.000 0.960 523 S CA 0.084 58.135 58.200 -0.249 0.000 0.925 523 S CB -0.517 62.494 63.200 -0.316 0.000 0.775 523 S HN 0.466 nan 8.310 nan 0.000 0.525 524 Y N -0.561 119.653 120.300 -0.144 0.000 2.557 524 Y HA 0.425 4.973 4.550 -0.004 0.000 0.247 524 Y C 1.896 177.811 175.900 0.024 0.000 1.164 524 Y CA -0.524 57.477 58.100 -0.165 0.000 1.218 524 Y CB 0.264 38.377 38.460 -0.579 0.000 1.210 524 Y HN 0.267 nan 8.280 nan 0.000 0.529 525 V N 0.397 120.389 119.914 0.131 0.000 2.626 525 V HA -0.196 3.915 4.120 -0.015 0.000 0.252 525 V C 0.998 177.160 176.094 0.113 0.000 1.067 525 V CA 2.170 64.556 62.300 0.144 0.000 1.081 525 V CB 0.004 31.878 31.823 0.084 0.000 0.686 525 V HN 0.338 nan 8.190 nan 0.000 0.468 526 D N -0.473 119.968 120.400 0.068 0.000 2.363 526 D HA 0.106 4.737 4.640 -0.015 0.000 0.214 526 D C 0.343 176.683 176.300 0.067 0.000 1.093 526 D CA 0.044 54.075 54.000 0.052 0.000 0.837 526 D CB 0.109 40.917 40.800 0.014 0.000 0.948 526 D HN 0.452 nan 8.370 nan 0.000 0.507 527 D N 1.375 121.847 120.400 0.119 0.000 2.339 527 D HA -0.008 4.623 4.640 -0.015 0.000 0.241 527 D C 1.067 177.474 176.300 0.177 0.000 1.183 527 D CA -0.070 54.020 54.000 0.151 0.000 0.859 527 D CB 1.642 42.584 40.800 0.237 0.000 1.067 527 D HN -0.174 nan 8.370 nan 0.000 0.484 528 E N 3.042 123.311 120.200 0.115 0.000 2.150 528 E HA -0.126 4.215 4.350 -0.015 0.000 0.193 528 E C 1.752 178.410 176.600 0.096 0.000 0.985 528 E CA 1.265 57.719 56.400 0.090 0.000 0.814 528 E CB 0.077 29.811 29.700 0.057 0.000 0.752 528 E HN 0.588 nan 8.360 nan 0.000 0.466 529 A N -0.306 122.587 122.820 0.122 0.000 1.898 529 A HA -0.127 4.184 4.320 -0.015 0.000 0.216 529 A C 2.152 179.825 177.584 0.148 0.000 1.181 529 A CA 1.194 53.300 52.037 0.115 0.000 0.620 529 A CB -0.878 18.194 19.000 0.118 0.000 0.819 529 A HN 0.443 nan 8.150 nan 0.000 0.442 530 F N 0.440 120.418 119.950 0.047 0.000 2.102 530 F HA -0.146 4.373 4.527 -0.013 0.000 0.298 530 F C 2.033 177.849 175.800 0.026 0.000 1.105 530 F CA 1.642 59.658 58.000 0.027 0.000 1.239 530 F CB -0.130 38.905 39.000 0.060 0.000 0.991 530 F HN 0.166 nan 8.300 nan 0.000 0.474 531 I N 0.282 120.901 120.570 0.081 0.000 2.118 531 I HA -0.387 3.774 4.170 -0.015 0.000 0.241 531 I C 2.617 178.691 176.117 -0.071 0.000 1.070 531 I CA 1.912 63.206 61.300 -0.011 0.000 1.327 531 I CB -0.573 37.462 38.000 0.057 0.000 1.034 531 I HN 0.097 nan 8.210 nan 0.000 0.405 532 R N 0.848 121.329 120.500 -0.032 0.000 2.091 532 R HA -0.209 4.122 4.340 -0.015 0.000 0.238 532 R C 1.887 178.140 176.300 -0.079 0.000 1.136 532 R CA 2.050 58.126 56.100 -0.040 0.000 0.959 532 R CB -0.195 30.099 30.300 -0.010 0.000 0.856 532 R HN 0.315 nan 8.270 nan 0.000 0.437 533 D N -0.206 120.125 120.400 -0.115 0.000 2.097 533 D HA -0.121 4.510 4.640 -0.015 0.000 0.197 533 D C 1.989 178.154 176.300 -0.225 0.000 0.984 533 D CA 1.339 55.249 54.000 -0.151 0.000 0.826 533 D CB -0.271 40.445 40.800 -0.141 0.000 0.973 533 D HN 0.084 nan 8.370 nan 0.000 0.460 534 V N 1.556 121.239 119.914 -0.385 0.000 2.282 534 V HA -0.283 3.828 4.120 -0.015 0.000 0.249 534 V C 2.522 178.525 176.094 -0.152 0.000 1.057 534 V CA 2.062 64.158 62.300 -0.339 0.000 1.032 534 V CB -0.836 30.721 31.823 -0.444 0.000 0.645 534 V HN 0.203 nan 8.190 nan 0.000 0.447 535 A N -0.670 122.084 122.820 -0.110 0.000 1.969 535 A HA -0.240 4.071 4.320 -0.015 0.000 0.218 535 A C 2.344 179.893 177.584 -0.058 0.000 1.169 535 A CA 2.029 54.034 52.037 -0.053 0.000 0.635 535 A CB -0.456 18.518 19.000 -0.043 0.000 0.810 535 A HN 0.547 nan 8.150 nan 0.000 0.445 536 K N -0.277 120.083 120.400 -0.068 0.000 2.057 536 K HA -0.070 4.241 4.320 -0.015 0.000 0.206 536 K C 1.778 178.350 176.600 -0.046 0.000 1.050 536 K CA 1.492 57.747 56.287 -0.053 0.000 0.935 536 K CB -0.219 32.252 32.500 -0.049 0.000 0.715 536 K HN 0.217 nan 8.250 nan 0.000 0.439 537 V N 1.620 121.500 119.914 -0.057 0.000 2.343 537 V HA -0.223 3.888 4.120 -0.015 0.000 0.247 537 V C 2.340 178.418 176.094 -0.027 0.000 1.051 537 V CA 1.863 64.139 62.300 -0.041 0.000 1.036 537 V CB -0.410 31.381 31.823 -0.054 0.000 0.654 537 V HN 0.339 nan 8.190 nan 0.000 0.451 538 K N 0.528 120.910 120.400 -0.029 0.000 2.032 538 K HA -0.236 4.075 4.320 -0.015 0.000 0.209 538 K C 2.170 178.743 176.600 -0.045 0.000 1.048 538 K CA 1.879 58.155 56.287 -0.018 0.000 0.927 538 K CB -0.530 31.976 32.500 0.009 0.000 0.712 538 K HN 0.371 nan 8.250 nan 0.000 0.441 539 Q N 0.898 120.666 119.800 -0.055 0.000 2.124 539 Q HA -0.101 4.229 4.340 -0.015 0.000 0.202 539 Q C 1.697 177.676 176.000 -0.035 0.000 0.977 539 Q CA 1.900 57.662 55.803 -0.069 0.000 0.850 539 Q CB -0.061 28.639 28.738 -0.063 0.000 0.901 539 Q HN 0.503 nan 8.270 nan 0.000 0.429 540 E N -0.532 119.659 120.200 -0.015 0.000 2.077 540 E HA -0.166 4.175 4.350 -0.015 0.000 0.193 540 E C 1.685 178.307 176.600 0.036 0.000 0.989 540 E CA 1.051 57.457 56.400 0.010 0.000 0.800 540 E CB -0.050 29.654 29.700 0.006 0.000 0.746 540 E HN 0.415 nan 8.360 nan 0.000 0.452 541 N N 0.863 119.581 118.700 0.030 0.000 2.188 541 N HA -0.122 4.609 4.740 -0.015 0.000 0.184 541 N C 1.484 177.067 175.510 0.123 0.000 1.018 541 N CA 1.002 54.091 53.050 0.064 0.000 0.858 541 N CB -0.066 38.442 38.487 0.035 0.000 0.989 541 N HN 0.126 nan 8.380 nan 0.000 0.426 542 K N 0.526 120.955 120.400 0.048 0.000 2.057 542 K HA 0.041 4.352 4.320 -0.015 0.000 0.206 542 K C 2.089 178.800 176.600 0.185 0.000 1.050 542 K CA 0.627 56.943 56.287 0.047 0.000 0.935 542 K CB -0.148 32.117 32.500 -0.392 0.000 0.715 542 K HN 0.082 nan 8.250 nan 0.000 0.439 543 L N 1.262 122.545 121.223 0.100 0.000 2.046 543 L HA -0.190 4.141 4.340 -0.015 0.000 0.208 543 L C 2.605 179.569 176.870 0.157 0.000 1.077 543 L CA 1.321 56.231 54.840 0.116 0.000 0.747 543 L CB -0.324 41.773 42.059 0.064 0.000 0.896 543 L HN 0.141 nan 8.230 nan 0.000 0.432 544 K N -0.381 120.116 120.400 0.162 0.000 2.097 544 K HA -0.221 4.090 4.320 -0.015 0.000 0.206 544 K C 2.201 178.957 176.600 0.260 0.000 1.049 544 K CA 1.544 57.937 56.287 0.177 0.000 0.933 544 K CB -0.099 32.490 32.500 0.148 0.000 0.717 544 K HN 0.109 nan 8.250 nan 0.000 0.442 545 F N 1.108 121.162 119.950 0.173 0.000 2.163 545 F HA -0.006 4.512 4.527 -0.015 0.000 0.297 545 F C 2.031 177.991 175.800 0.267 0.000 1.094 545 F CA 1.110 59.240 58.000 0.218 0.000 1.290 545 F CB -0.380 38.750 39.000 0.218 0.000 1.017 545 F HN 0.041 nan 8.300 nan 0.000 0.483 546 A N 0.226 123.225 122.820 0.298 0.000 1.978 546 A HA -0.112 4.199 4.320 -0.015 0.000 0.220 546 A C 2.358 179.990 177.584 0.078 0.000 1.170 546 A CA 1.842 53.989 52.037 0.184 0.000 0.636 546 A CB -1.434 17.733 19.000 0.278 0.000 0.810 546 A HN 0.460 nan 8.150 nan 0.000 0.448 547 A N -1.769 121.110 122.820 0.100 0.000 1.930 547 A HA 0.006 4.317 4.320 -0.015 0.000 0.215 547 A C 2.085 179.690 177.584 0.035 0.000 1.176 547 A CA 1.363 53.443 52.037 0.072 0.000 0.632 547 A CB -0.742 18.311 19.000 0.088 0.000 0.819 547 A HN 0.709 nan 8.150 nan 0.000 0.445 548 Y N 0.744 120.990 120.300 -0.089 0.000 2.165 548 Y HA -0.203 4.338 4.550 -0.015 0.000 0.286 548 Y C 1.920 177.726 175.900 -0.156 0.000 1.155 548 Y CA 1.850 59.873 58.100 -0.128 0.000 1.164 548 Y CB -0.229 38.136 38.460 -0.160 0.000 0.978 548 Y HN 0.218 nan 8.280 nan 0.000 0.513 549 L N -0.016 121.101 121.223 -0.177 0.000 2.017 549 L HA -0.232 4.099 4.340 -0.015 0.000 0.208 549 L C 2.475 179.272 176.870 -0.121 0.000 1.073 549 L CA 1.894 56.638 54.840 -0.161 0.000 0.745 549 L CB -0.634 41.303 42.059 -0.204 0.000 0.894 549 L HN 0.317 nan 8.230 nan 0.000 0.432 550 E N -0.166 119.985 120.200 -0.081 0.000 2.051 550 E HA -0.226 4.115 4.350 -0.015 0.000 0.192 550 E C 2.355 178.912 176.600 -0.072 0.000 0.991 550 E CA 1.190 57.574 56.400 -0.027 0.000 0.799 550 E CB -0.027 29.729 29.700 0.094 0.000 0.748 550 E HN 0.424 nan 8.360 nan 0.000 0.449 551 R N 0.612 121.039 120.500 -0.122 0.000 2.061 551 R HA -0.124 4.207 4.340 -0.015 0.000 0.230 551 R C 2.086 178.228 176.300 -0.262 0.000 1.140 551 R CA 1.267 57.275 56.100 -0.153 0.000 0.940 551 R CB -0.097 30.121 30.300 -0.136 0.000 0.839 551 R HN -0.009 nan 8.270 nan 0.000 0.429 552 E N -1.345 118.568 120.200 -0.478 0.000 2.478 552 E HA -0.028 4.313 4.350 -0.015 0.000 0.194 552 E C 0.028 176.123 176.600 -0.841 0.000 1.045 552 E CA 0.688 56.665 56.400 -0.704 0.000 0.868 552 E CB 0.473 29.530 29.700 -1.072 0.000 0.885 552 E HN 0.354 nan 8.360 nan 0.000 0.505 553 Y N -0.799 119.349 120.300 -0.253 0.000 2.729 553 Y HA 0.191 4.732 4.550 -0.015 0.000 0.266 553 Y C -0.081 175.723 175.900 -0.160 0.000 1.064 553 Y CA -0.627 57.371 58.100 -0.169 0.000 1.251 553 Y CB 0.825 39.191 38.460 -0.156 0.000 1.379 553 Y HN -0.244 nan 8.280 nan 0.000 0.569 554 K N 0.199 120.561 120.400 -0.063 0.000 3.035 554 K HA -0.146 4.165 4.320 -0.015 0.000 0.262 554 K C -0.365 175.999 176.600 -0.393 0.000 1.024 554 K CA 0.906 57.118 56.287 -0.125 0.000 0.748 554 K CB -2.546 29.931 32.500 -0.039 0.000 1.247 554 K HN 0.266 nan 8.250 nan 0.000 0.482 555 V N -2.223 117.466 119.914 -0.376 0.000 2.513 555 V HA 0.577 4.688 4.120 -0.015 0.000 0.299 555 V C 0.072 175.908 176.094 -0.431 0.000 1.035 555 V CA -0.934 61.091 62.300 -0.458 0.000 0.889 555 V CB 1.588 33.291 31.823 -0.199 0.000 0.988 555 V HN 0.307 nan 8.190 nan 0.000 0.440 556 H N 5.336 124.398 119.070 -0.013 0.000 2.595 556 H HA 0.752 5.299 4.556 -0.015 0.000 0.313 556 H C -0.075 175.250 175.328 -0.005 0.000 1.023 556 H CA -0.470 55.575 56.048 -0.005 0.000 1.218 556 H CB 1.499 31.262 29.762 0.003 0.000 1.403 556 H HN 0.933 nan 8.280 nan 0.000 0.477 557 I N -0.566 120.070 120.570 0.110 0.000 2.693 557 I HA 0.478 4.639 4.170 -0.015 0.000 0.303 557 I C -0.237 175.962 176.117 0.136 0.000 1.025 557 I CA -1.333 60.018 61.300 0.086 0.000 1.086 557 I CB 2.004 40.024 38.000 0.033 0.000 1.268 557 I HN 0.334 nan 8.210 nan 0.000 0.440 558 N N 4.801 123.582 118.700 0.136 0.000 2.401 558 N HA 0.339 5.070 4.740 -0.015 0.000 0.255 558 N C -1.983 173.668 175.510 0.235 0.000 1.110 558 N CA -2.340 50.797 53.050 0.145 0.000 0.949 558 N CB 0.884 39.431 38.487 0.100 0.000 1.110 558 N HN 0.394 nan 8.380 nan 0.000 0.490 559 P HA 0.063 nan 4.420 nan 0.000 0.237 559 P C -0.136 177.157 177.300 -0.011 0.000 1.178 559 P CA 0.860 64.043 63.100 0.139 0.000 0.766 559 P CB 0.250 32.006 31.700 0.094 0.000 0.876 560 N N -1.231 117.496 118.700 0.046 0.000 2.336 560 N HA 0.002 4.733 4.740 -0.015 0.000 0.189 560 N C 0.277 175.832 175.510 0.075 0.000 1.113 560 N CA -0.055 53.013 53.050 0.030 0.000 0.858 560 N CB 0.023 38.532 38.487 0.036 0.000 0.970 560 N HN 0.119 nan 8.380 nan 0.000 0.471 561 S N 0.121 115.878 115.700 0.096 0.000 2.614 561 S HA 0.194 4.655 4.470 -0.015 0.000 0.265 561 S C 0.082 174.671 174.600 -0.019 0.000 1.303 561 S CA -0.933 57.310 58.200 0.072 0.000 1.000 561 S CB 1.053 64.318 63.200 0.108 0.000 0.935 561 S HN 0.208 nan 8.310 nan 0.000 0.551 562 L N 2.035 123.074 121.223 -0.306 0.000 2.410 562 L HA 0.361 4.692 4.340 -0.015 0.000 0.273 562 L C -0.867 175.989 176.870 -0.022 0.000 1.144 562 L CA -0.530 53.937 54.840 -0.622 0.000 0.863 562 L CB -0.155 41.236 42.059 -1.112 0.000 1.140 562 L HN 0.718 nan 8.230 nan 0.000 0.463 563 F N 4.266 124.078 119.950 -0.230 0.000 2.423 563 F HA 0.097 4.616 4.527 -0.014 0.000 0.356 563 F C 0.420 176.152 175.800 -0.113 0.000 1.170 563 F CA -0.831 57.104 58.000 -0.108 0.000 1.163 563 F CB 0.442 39.424 39.000 -0.029 0.000 1.318 563 F HN 0.534 nan 8.300 nan 0.000 0.569 564 D N 4.659 125.054 120.400 -0.008 0.000 2.380 564 D HA 0.195 4.826 4.640 -0.015 0.000 0.230 564 D C -0.980 175.258 176.300 -0.103 0.000 1.154 564 D CA 0.015 53.969 54.000 -0.076 0.000 0.859 564 D CB 1.313 42.054 40.800 -0.099 0.000 1.045 564 D HN 0.249 nan 8.370 nan 0.000 0.495 565 V N 3.453 123.293 119.914 -0.122 0.000 2.604 565 V HA 0.542 4.653 4.120 -0.015 0.000 0.305 565 V C -1.333 174.612 176.094 -0.249 0.000 1.043 565 V CA -0.655 61.554 62.300 -0.151 0.000 0.888 565 V CB 1.813 33.603 31.823 -0.055 0.000 0.995 565 V HN 0.538 nan 8.190 nan 0.000 0.429 566 Q N 4.954 124.619 119.800 -0.225 0.000 2.394 566 Q HA 0.659 4.990 4.340 -0.015 0.000 0.261 566 Q C -1.496 174.334 176.000 -0.285 0.000 1.023 566 Q CA -0.643 55.011 55.803 -0.247 0.000 0.720 566 Q CB 1.858 30.482 28.738 -0.191 0.000 1.241 566 Q HN 1.093 nan 8.270 nan 0.000 0.483 567 V N 1.643 121.375 119.914 -0.304 0.000 2.444 567 V HA 0.875 4.985 4.120 -0.015 0.000 0.294 567 V C -0.962 174.880 176.094 -0.420 0.000 1.022 567 V CA -0.521 61.419 62.300 -0.599 0.000 0.850 567 V CB 1.136 32.337 31.823 -1.036 0.000 0.992 567 V HN 0.845 nan 8.190 nan 0.000 0.426 568 K N 2.563 122.768 120.400 -0.325 0.000 3.040 568 K HA 0.445 4.756 4.320 -0.015 0.000 0.300 568 K C -1.200 175.416 176.600 0.027 0.000 1.092 568 K CA -1.208 55.064 56.287 -0.024 0.000 0.831 568 K CB 0.857 33.319 32.500 -0.063 0.000 1.469 568 K HN 0.435 nan 8.250 nan 0.000 0.365 569 R N 0.914 121.472 120.500 0.096 0.000 2.698 569 R HA 0.133 4.464 4.340 -0.015 0.000 0.266 569 R C 0.309 176.637 176.300 0.046 0.000 1.026 569 R CA -0.262 55.903 56.100 0.110 0.000 1.102 569 R CB -0.161 30.226 30.300 0.145 0.000 0.978 569 R HN 0.492 nan 8.270 nan 0.000 0.436 570 I N 3.714 124.325 120.570 0.069 0.000 2.421 570 I HA 0.104 4.265 4.170 -0.015 0.000 0.291 570 I C 0.479 176.592 176.117 -0.007 0.000 1.089 570 I CA 0.282 61.577 61.300 -0.009 0.000 1.354 570 I CB -0.572 37.410 38.000 -0.030 0.000 1.413 570 I HN 0.487 nan 8.210 nan 0.000 0.513 571 H N 3.532 122.510 119.070 -0.153 0.000 2.930 571 H HA 0.249 4.796 4.556 -0.015 0.000 0.371 571 H C 0.765 175.969 175.328 -0.207 0.000 1.169 571 H CA -0.465 55.533 56.048 -0.082 0.000 1.157 571 H CB 2.004 31.721 29.762 -0.074 0.000 1.789 571 H HN 0.555 nan 8.280 nan 0.000 0.547 572 E N 1.867 122.065 120.200 -0.003 0.000 2.097 572 E HA -0.309 4.032 4.350 -0.015 0.000 0.196 572 E C 1.248 177.671 176.600 -0.294 0.000 1.000 572 E CA 1.902 58.304 56.400 0.004 0.000 0.804 572 E CB -0.105 29.753 29.700 0.263 0.000 0.740 572 E HN 0.667 nan 8.360 nan 0.000 0.454 573 Y N 0.833 120.748 120.300 -0.641 0.000 2.333 573 Y HA -0.065 4.476 4.550 -0.015 0.000 0.290 573 Y C 1.533 177.189 175.900 -0.406 0.000 1.144 573 Y CA 0.965 58.426 58.100 -1.065 0.000 1.228 573 Y CB -0.162 37.651 38.460 -1.078 0.000 0.985 573 Y HN -0.197 nan 8.280 nan 0.000 0.542 574 K N 0.656 120.631 120.400 -0.708 0.000 2.432 574 K HA 0.067 4.378 4.320 -0.015 0.000 0.196 574 K C 0.176 176.622 176.600 -0.257 0.000 1.038 574 K CA 0.544 56.530 56.287 -0.502 0.000 0.986 574 K CB -0.040 32.140 32.500 -0.534 0.000 0.782 574 K HN 0.238 nan 8.250 nan 0.000 0.485 575 R N 0.401 120.777 120.500 -0.206 0.000 3.336 575 R HA -0.236 4.095 4.340 -0.015 0.000 0.260 575 R C 0.257 176.483 176.300 -0.124 0.000 1.032 575 R CA 0.226 56.251 56.100 -0.125 0.000 0.693 575 R CB -1.929 28.314 30.300 -0.095 0.000 1.134 575 R HN 0.300 nan 8.270 nan 0.000 0.433 576 Q N 0.324 120.049 119.800 -0.125 0.000 2.248 576 Q HA -0.093 4.238 4.340 -0.015 0.000 0.208 576 Q C 2.019 177.972 176.000 -0.079 0.000 0.984 576 Q CA 1.541 57.284 55.803 -0.100 0.000 0.875 576 Q CB -0.018 28.665 28.738 -0.091 0.000 0.910 576 Q HN 0.592 nan 8.270 nan 0.000 0.433 577 L N -0.736 120.444 121.223 -0.071 0.000 2.141 577 L HA -0.169 4.162 4.340 -0.015 0.000 0.209 577 L C 1.979 178.847 176.870 -0.003 0.000 1.094 577 L CA 0.486 55.299 54.840 -0.046 0.000 0.763 577 L CB -0.285 41.760 42.059 -0.024 0.000 0.908 577 L HN 0.304 nan 8.230 nan 0.000 0.437 578 L N -0.091 121.118 121.223 -0.023 0.000 2.056 578 L HA -0.216 4.115 4.340 -0.015 0.000 0.207 578 L C 2.022 178.916 176.870 0.039 0.000 1.078 578 L CA 1.835 56.660 54.840 -0.024 0.000 0.749 578 L CB -0.776 41.161 42.059 -0.203 0.000 0.901 578 L HN 0.269 nan 8.230 nan 0.000 0.433 579 N N -1.580 117.116 118.700 -0.007 0.000 2.069 579 N HA -0.256 4.474 4.740 -0.015 0.000 0.191 579 N C 1.957 177.546 175.510 0.132 0.000 1.031 579 N CA 1.771 54.904 53.050 0.138 0.000 0.852 579 N CB -0.158 38.347 38.487 0.029 0.000 1.018 579 N HN 0.495 nan 8.380 nan 0.000 0.423 580 C N 0.548 119.861 119.300 0.023 0.000 2.413 580 C HA -0.100 4.351 4.460 -0.015 0.000 0.276 580 C C 2.606 177.584 174.990 -0.020 0.000 1.248 580 C CA 0.441 59.428 59.018 -0.052 0.000 1.742 580 C CB -1.270 26.389 27.740 -0.135 0.000 2.017 580 C HN 0.502 nan 8.230 nan 0.000 0.481 581 L N -0.431 120.837 121.223 0.074 0.000 2.046 581 L HA -0.198 4.133 4.340 -0.015 0.000 0.208 581 L C 2.773 179.790 176.870 0.246 0.000 1.077 581 L CA 1.856 56.779 54.840 0.140 0.000 0.747 581 L CB -1.080 41.112 42.059 0.221 0.000 0.896 581 L HN 0.588 nan 8.230 nan 0.000 0.432 582 H N 0.038 119.232 119.070 0.205 0.000 2.321 582 H HA -0.151 4.396 4.556 -0.015 0.000 0.300 582 H C 2.258 177.591 175.328 0.009 0.000 1.087 582 H CA 2.056 58.152 56.048 0.081 0.000 1.319 582 H CB 0.240 29.996 29.762 -0.010 0.000 1.379 582 H HN 0.086 nan 8.280 nan 0.000 0.501 583 V N 1.566 121.412 119.914 -0.114 0.000 2.282 583 V HA -0.290 3.821 4.120 -0.015 0.000 0.249 583 V C 2.842 178.870 176.094 -0.110 0.000 1.057 583 V CA 2.050 64.246 62.300 -0.173 0.000 1.032 583 V CB -0.533 31.235 31.823 -0.092 0.000 0.645 583 V HN 0.393 nan 8.190 nan 0.000 0.447 584 I N -0.360 120.177 120.570 -0.055 0.000 2.394 584 I HA -0.195 3.966 4.170 -0.015 0.000 0.251 584 I C 2.456 178.623 176.117 0.084 0.000 1.136 584 I CA 1.562 62.892 61.300 0.051 0.000 1.425 584 I CB -0.625 37.372 38.000 -0.004 0.000 1.079 584 I HN 0.327 nan 8.210 nan 0.000 0.425 585 T N 1.182 115.743 114.554 0.011 0.000 2.708 585 T HA -0.147 4.193 4.350 -0.015 0.000 0.266 585 T C 1.882 176.536 174.700 -0.078 0.000 1.037 585 T CA 1.189 63.288 62.100 -0.001 0.000 1.146 585 T CB -0.275 68.622 68.868 0.049 0.000 0.865 585 T HN 0.072 nan 8.240 nan 0.000 0.435 586 L N 0.190 121.295 121.223 -0.197 0.000 2.012 586 L HA -0.058 4.273 4.340 -0.015 0.000 0.210 586 L C 2.129 178.962 176.870 -0.062 0.000 1.073 586 L CA 1.614 56.340 54.840 -0.189 0.000 0.748 586 L CB -1.129 40.748 42.059 -0.302 0.000 0.891 586 L HN 0.360 nan 8.230 nan 0.000 0.431 587 Y N 0.269 120.507 120.300 -0.103 0.000 2.128 587 Y HA -0.302 4.239 4.550 -0.015 0.000 0.284 587 Y C 2.485 178.369 175.900 -0.026 0.000 1.154 587 Y CA 1.903 59.983 58.100 -0.034 0.000 1.149 587 Y CB -0.125 38.360 38.460 0.042 0.000 0.976 587 Y HN 0.282 nan 8.280 nan 0.000 0.505 588 N N 0.446 119.116 118.700 -0.049 0.000 2.120 588 N HA -0.156 4.575 4.740 -0.015 0.000 0.188 588 N C 1.876 177.282 175.510 -0.173 0.000 1.024 588 N CA 1.573 54.533 53.050 -0.150 0.000 0.852 588 N CB -0.393 38.063 38.487 -0.052 0.000 1.003 588 N HN 0.427 nan 8.380 nan 0.000 0.424 589 R N 0.433 120.857 120.500 -0.127 0.000 2.081 589 R HA 0.030 4.361 4.340 -0.015 0.000 0.235 589 R C 2.287 178.504 176.300 -0.139 0.000 1.131 589 R CA 0.865 56.895 56.100 -0.116 0.000 0.960 589 R CB -0.316 29.926 30.300 -0.098 0.000 0.856 589 R HN 0.229 nan 8.270 nan 0.000 0.436 590 I N 0.999 121.468 120.570 -0.169 0.000 2.127 590 I HA -0.310 3.851 4.170 -0.015 0.000 0.241 590 I C 2.173 178.173 176.117 -0.195 0.000 1.075 590 I CA 1.324 62.522 61.300 -0.170 0.000 1.334 590 I CB -0.189 37.714 38.000 -0.161 0.000 1.040 590 I HN 0.055 nan 8.210 nan 0.000 0.405 591 K N 0.721 120.939 120.400 -0.304 0.000 2.147 591 K HA -0.210 4.101 4.320 -0.015 0.000 0.205 591 K C 2.028 178.529 176.600 -0.165 0.000 1.049 591 K CA 1.189 57.312 56.287 -0.273 0.000 0.936 591 K CB -0.335 31.923 32.500 -0.403 0.000 0.722 591 K HN 0.340 nan 8.250 nan 0.000 0.446 592 K N 1.128 121.439 120.400 -0.149 0.000 2.103 592 K HA -0.087 4.224 4.320 -0.015 0.000 0.204 592 K C 0.016 176.570 176.600 -0.077 0.000 1.052 592 K CA 1.039 57.265 56.287 -0.101 0.000 0.945 592 K CB 0.335 32.779 32.500 -0.092 0.000 0.722 592 K HN 0.096 nan 8.250 nan 0.000 0.443 593 E N 0.164 120.316 120.200 -0.079 0.000 3.108 593 E HA 0.117 4.458 4.350 -0.015 0.000 0.228 593 E C -2.324 174.242 176.600 -0.056 0.000 1.176 593 E CA -1.596 54.770 56.400 -0.056 0.000 0.881 593 E CB 1.713 31.386 29.700 -0.044 0.000 1.354 593 E HN 0.120 nan 8.360 nan 0.000 0.400 594 P HA -0.130 nan 4.420 nan 0.000 0.217 594 P C 0.291 177.573 177.300 -0.029 0.000 1.150 594 P CA 1.199 64.268 63.100 -0.052 0.000 0.832 594 P CB 0.205 31.879 31.700 -0.043 0.000 0.787 595 N N -1.197 117.495 118.700 -0.014 0.000 2.276 595 N HA 0.021 4.751 4.740 -0.015 0.000 0.212 595 N C 0.519 176.045 175.510 0.027 0.000 1.127 595 N CA -0.093 52.962 53.050 0.008 0.000 0.834 595 N CB 0.085 38.577 38.487 0.008 0.000 1.014 595 N HN 0.018 nan 8.380 nan 0.000 0.491 596 K N 1.025 121.436 120.400 0.017 0.000 2.118 596 K HA 0.157 4.468 4.320 -0.015 0.000 0.267 596 K C -0.909 175.734 176.600 0.070 0.000 0.991 596 K CA -0.561 55.751 56.287 0.043 0.000 0.916 596 K CB 0.688 33.194 32.500 0.010 0.000 1.041 596 K HN -0.060 nan 8.250 nan 0.000 0.455 597 F N 4.257 124.195 119.950 -0.020 0.000 2.456 597 F HA 0.210 4.728 4.527 -0.015 0.000 0.358 597 F C -0.386 175.402 175.800 -0.020 0.000 1.095 597 F CA -0.201 57.788 58.000 -0.017 0.000 1.216 597 F CB 0.611 39.604 39.000 -0.012 0.000 1.125 597 F HN 0.168 nan 8.300 nan 0.000 0.549 598 V N 4.516 123.891 119.914 -0.899 0.000 2.789 598 V HA 0.547 4.658 4.120 -0.015 0.000 0.311 598 V C -0.718 174.733 176.094 -1.072 0.000 1.073 598 V CA -1.183 60.676 62.300 -0.735 0.000 0.921 598 V CB 0.971 32.578 31.823 -0.360 0.000 1.009 598 V HN 0.563 nan 8.190 nan 0.000 0.426 599 V N 5.621 125.159 119.914 -0.627 0.000 2.493 599 V HA 0.188 4.299 4.120 -0.015 0.000 0.292 599 V C -1.746 174.187 176.094 -0.267 0.000 1.016 599 V CA -0.334 61.768 62.300 -0.331 0.000 1.097 599 V CB 0.410 32.186 31.823 -0.078 0.000 0.947 599 V HN 0.924 nan 8.190 nan 0.000 0.479 600 P HA 0.373 nan 4.420 nan 0.000 0.271 600 P C -0.498 176.726 177.300 -0.127 0.000 1.216 600 P CA -0.232 62.789 63.100 -0.132 0.000 0.776 600 P CB 0.632 32.302 31.700 -0.051 0.000 0.881 601 R N 0.866 121.300 120.500 -0.110 0.000 2.686 601 R HA 0.553 4.884 4.340 -0.015 0.000 0.286 601 R C -0.703 175.562 176.300 -0.059 0.000 0.969 601 R CA -0.617 55.419 56.100 -0.107 0.000 0.898 601 R CB 1.920 32.142 30.300 -0.130 0.000 1.183 601 R HN 0.321 nan 8.270 nan 0.000 0.456 602 T N 2.143 116.677 114.554 -0.033 0.000 2.821 602 T HA 0.227 4.568 4.350 -0.015 0.000 0.307 602 T C -0.269 174.339 174.700 -0.152 0.000 1.034 602 T CA -0.463 61.571 62.100 -0.110 0.000 0.953 602 T CB 1.074 69.812 68.868 -0.217 0.000 0.968 602 T HN 0.137 nan 8.240 nan 0.000 0.462 603 V N 5.844 125.680 119.914 -0.130 0.000 2.348 603 V HA 0.376 4.487 4.120 -0.015 0.000 0.270 603 V C 0.060 176.072 176.094 -0.136 0.000 1.037 603 V CA -0.401 61.828 62.300 -0.118 0.000 0.872 603 V CB 0.509 32.282 31.823 -0.083 0.000 1.002 603 V HN 0.867 nan 8.190 nan 0.000 0.464 604 M N 6.523 126.028 119.600 -0.158 0.000 2.149 604 M HA 0.589 5.060 4.480 -0.015 0.000 0.342 604 M C -0.880 175.305 176.300 -0.192 0.000 1.068 604 M CA -0.050 55.146 55.300 -0.173 0.000 0.991 604 M CB 1.665 34.156 32.600 -0.180 0.000 1.596 604 M HN 0.431 nan 8.290 nan 0.000 0.439 605 I N 2.185 122.625 120.570 -0.217 0.000 2.465 605 I HA 0.782 4.943 4.170 -0.015 0.000 0.291 605 I C 0.165 175.940 176.117 -0.570 0.000 1.014 605 I CA -0.632 60.511 61.300 -0.263 0.000 1.093 605 I CB 2.140 40.081 38.000 -0.098 0.000 1.267 605 I HN 0.758 nan 8.210 nan 0.000 0.431 606 G N 3.073 111.506 108.800 -0.611 0.000 2.659 606 G HA2 0.838 4.789 3.960 -0.015 0.000 0.296 606 G HA3 0.838 4.789 3.960 -0.015 0.000 0.296 606 G C -0.971 173.625 174.900 -0.506 0.000 1.369 606 G CA -0.880 43.719 45.100 -0.835 0.000 0.937 606 G HN 0.971 nan 8.290 nan 0.000 0.485 607 G N -0.195 108.457 108.800 -0.247 0.000 2.352 607 G HA2 0.401 4.352 3.960 -0.015 0.000 0.303 607 G HA3 0.401 4.352 3.960 -0.015 0.000 0.303 607 G C -1.223 173.827 174.900 0.250 0.000 1.593 607 G CA -1.062 44.086 45.100 0.079 0.000 0.963 607 G HN 0.616 nan 8.290 nan 0.000 0.685 608 K N 0.032 120.574 120.400 0.235 0.000 2.118 608 K HA 0.719 5.030 4.320 -0.015 0.000 0.267 608 K C 0.349 177.110 176.600 0.269 0.000 0.991 608 K CA -0.126 56.322 56.287 0.269 0.000 0.916 608 K CB 1.936 34.493 32.500 0.095 0.000 1.041 608 K HN 0.837 nan 8.250 nan 0.000 0.455 609 A N 1.554 124.563 122.820 0.316 0.000 2.312 609 A HA 0.605 4.916 4.320 -0.015 0.000 0.326 609 A C -0.363 177.431 177.584 0.350 0.000 1.172 609 A CA -0.729 51.444 52.037 0.227 0.000 0.821 609 A CB 0.912 19.959 19.000 0.078 0.000 1.166 609 A HN 0.783 nan 8.150 nan 0.000 0.493 610 A N 3.772 126.800 122.820 0.346 0.000 2.546 610 A HA 0.445 4.756 4.320 -0.015 0.000 0.243 610 A C -1.325 176.399 177.584 0.233 0.000 1.063 610 A CA -0.738 51.510 52.037 0.352 0.000 0.757 610 A CB -0.401 18.821 19.000 0.370 0.000 0.991 610 A HN 0.611 nan 8.150 nan 0.000 0.503 611 P HA -0.168 nan 4.420 nan 0.000 0.217 611 P C 1.230 178.556 177.300 0.043 0.000 1.151 611 P CA 2.082 65.160 63.100 -0.037 0.000 0.849 611 P CB 0.214 31.841 31.700 -0.122 0.000 0.787 612 G N -3.127 105.740 108.800 0.111 0.000 3.434 612 G HA2 -0.018 3.932 3.960 -0.015 0.000 0.258 612 G HA3 -0.018 3.932 3.960 -0.015 0.000 0.258 612 G C -0.484 174.517 174.900 0.169 0.000 1.128 612 G CA -0.079 45.090 45.100 0.114 0.000 0.792 612 G HN 0.306 nan 8.290 nan 0.000 0.539 613 Y N 1.255 121.575 120.300 0.033 0.000 2.717 613 Y HA 0.248 4.789 4.550 -0.015 0.000 0.329 613 Y C 1.446 177.365 175.900 0.033 0.000 1.017 613 Y CA -1.134 56.965 58.100 -0.001 0.000 1.275 613 Y CB 0.331 38.780 38.460 -0.018 0.000 1.109 613 Y HN 0.309 nan 8.280 nan 0.000 0.511 614 H N 4.343 123.541 119.070 0.214 0.000 2.290 614 H HA -0.202 4.345 4.556 -0.015 0.000 0.298 614 H C 1.768 177.123 175.328 0.045 0.000 1.087 614 H CA 2.344 58.453 56.048 0.101 0.000 1.291 614 H CB 0.397 30.206 29.762 0.078 0.000 1.369 614 H HN 0.739 nan 8.280 nan 0.000 0.492 615 M N 1.115 120.727 119.600 0.020 0.000 2.108 615 M HA -0.118 4.353 4.480 -0.015 0.000 0.261 615 M C 2.567 178.638 176.300 -0.383 0.000 1.066 615 M CA 1.936 57.154 55.300 -0.137 0.000 1.107 615 M CB -0.813 31.824 32.600 0.061 0.000 1.356 615 M HN 0.350 nan 8.290 nan 0.000 0.406 616 A N -0.496 121.848 122.820 -0.792 0.000 1.933 616 A HA -0.199 4.112 4.320 -0.015 0.000 0.218 616 A C 2.199 179.581 177.584 -0.337 0.000 1.175 616 A CA 1.913 53.509 52.037 -0.734 0.000 0.628 616 A CB -0.665 17.672 19.000 -1.105 0.000 0.814 616 A HN 0.594 nan 8.150 nan 0.000 0.444 617 K N -1.171 119.089 120.400 -0.234 0.000 2.148 617 K HA -0.053 4.258 4.320 -0.015 0.000 0.204 617 K C 1.908 178.454 176.600 -0.091 0.000 1.050 617 K CA 1.234 57.469 56.287 -0.087 0.000 0.942 617 K CB -0.214 32.302 32.500 0.027 0.000 0.724 617 K HN 0.339 nan 8.250 nan 0.000 0.446 618 M N 0.505 120.001 119.600 -0.172 0.000 2.229 618 M HA -0.075 4.396 4.480 -0.015 0.000 0.264 618 M C 2.076 178.309 176.300 -0.113 0.000 1.063 618 M CA 1.382 56.613 55.300 -0.115 0.000 1.114 618 M CB -0.602 31.912 32.600 -0.144 0.000 1.387 618 M HN 0.118 nan 8.290 nan 0.000 0.420 619 I N -0.298 120.170 120.570 -0.170 0.000 2.252 619 I HA -0.289 3.872 4.170 -0.015 0.000 0.245 619 I C 2.269 178.256 176.117 -0.216 0.000 1.102 619 I CA 0.989 62.182 61.300 -0.178 0.000 1.385 619 I CB -0.323 37.572 38.000 -0.175 0.000 1.064 619 I HN 0.157 nan 8.210 nan 0.000 0.414 620 I N 0.720 121.137 120.570 -0.255 0.000 2.127 620 I HA -0.326 3.835 4.170 -0.015 0.000 0.241 620 I C 2.629 178.450 176.117 -0.493 0.000 1.075 620 I CA 1.352 62.390 61.300 -0.436 0.000 1.334 620 I CB -0.357 37.354 38.000 -0.480 0.000 1.040 620 I HN 0.157 nan 8.210 nan 0.000 0.405 621 K N 1.485 121.607 120.400 -0.464 0.000 2.063 621 K HA -0.177 4.133 4.320 -0.015 0.000 0.208 621 K C 2.045 178.487 176.600 -0.264 0.000 1.048 621 K CA 1.584 57.525 56.287 -0.578 0.000 0.928 621 K CB -0.649 31.228 32.500 -1.040 0.000 0.713 621 K HN 0.237 nan 8.250 nan 0.000 0.442 622 L N 0.320 121.434 121.223 -0.182 0.000 2.012 622 L HA -0.199 4.132 4.340 -0.015 0.000 0.210 622 L C 2.254 178.898 176.870 -0.377 0.000 1.073 622 L CA 1.844 56.420 54.840 -0.441 0.000 0.748 622 L CB -0.321 41.408 42.059 -0.550 0.000 0.891 622 L HN 0.285 nan 8.230 nan 0.000 0.431 623 I N -0.263 120.133 120.570 -0.289 0.000 2.163 623 I HA -0.339 3.822 4.170 -0.015 0.000 0.243 623 I C 2.631 178.644 176.117 -0.173 0.000 1.085 623 I CA 1.944 63.125 61.300 -0.198 0.000 1.347 623 I CB -0.521 37.440 38.000 -0.064 0.000 1.044 623 I HN 0.447 nan 8.210 nan 0.000 0.408 624 T N -0.915 113.503 114.554 -0.226 0.000 2.821 624 T HA -0.070 4.271 4.350 -0.015 0.000 0.267 624 T C 1.992 176.624 174.700 -0.113 0.000 1.046 624 T CA 0.921 62.918 62.100 -0.171 0.000 1.139 624 T CB -0.489 68.230 68.868 -0.247 0.000 0.871 624 T HN 0.333 nan 8.240 nan 0.000 0.454 625 A N 1.466 124.218 122.820 -0.113 0.000 1.933 625 A HA 0.131 4.442 4.320 -0.015 0.000 0.218 625 A C 2.366 179.969 177.584 0.030 0.000 1.175 625 A CA 1.310 53.351 52.037 0.006 0.000 0.628 625 A CB -0.812 18.288 19.000 0.167 0.000 0.814 625 A HN 0.608 nan 8.150 nan 0.000 0.444 626 I N -0.395 120.097 120.570 -0.129 0.000 2.202 626 I HA -0.167 3.994 4.170 -0.015 0.000 0.242 626 I C 2.741 178.822 176.117 -0.060 0.000 1.091 626 I CA 1.070 62.285 61.300 -0.142 0.000 1.368 626 I CB -0.695 37.096 38.000 -0.349 0.000 1.058 626 I HN 0.375 nan 8.210 nan 0.000 0.410 627 G N 0.605 109.360 108.800 -0.076 0.000 2.469 627 G HA2 -0.284 3.667 3.960 -0.015 0.000 0.219 627 G HA3 -0.284 3.667 3.960 -0.015 0.000 0.219 627 G C 1.271 176.161 174.900 -0.016 0.000 1.150 627 G CA 1.134 46.197 45.100 -0.063 0.000 0.763 627 G HN 0.284 nan 8.290 nan 0.000 0.561 628 D N -0.007 120.421 120.400 0.046 0.000 2.133 628 D HA -0.101 4.530 4.640 -0.015 0.000 0.195 628 D C 2.707 179.112 176.300 0.175 0.000 0.997 628 D CA 0.884 54.974 54.000 0.149 0.000 0.840 628 D CB -0.307 40.535 40.800 0.070 0.000 0.947 628 D HN 0.248 nan 8.370 nan 0.000 0.452 629 V N 0.135 120.078 119.914 0.049 0.000 2.302 629 V HA -0.140 3.971 4.120 -0.015 0.000 0.243 629 V C 2.597 178.631 176.094 -0.100 0.000 1.036 629 V CA 0.781 63.047 62.300 -0.057 0.000 1.020 629 V CB -0.240 31.488 31.823 -0.159 0.000 0.657 629 V HN 0.029 nan 8.190 nan 0.000 0.453 630 V N 0.943 120.748 119.914 -0.182 0.000 2.307 630 V HA -0.205 3.906 4.120 -0.015 0.000 0.245 630 V C 2.170 178.220 176.094 -0.073 0.000 1.045 630 V CA 2.079 64.266 62.300 -0.189 0.000 1.024 630 V CB -0.848 30.866 31.823 -0.182 0.000 0.651 630 V HN 0.572 nan 8.190 nan 0.000 0.449 631 N N -0.295 118.306 118.700 -0.164 0.000 2.520 631 N HA -0.094 4.637 4.740 -0.015 0.000 0.185 631 N C 1.207 176.461 175.510 -0.427 0.000 1.068 631 N CA 0.950 53.814 53.050 -0.309 0.000 0.911 631 N CB -0.290 37.934 38.487 -0.437 0.000 0.961 631 N HN 0.693 nan 8.380 nan 0.000 0.446 632 H N -1.503 117.571 119.070 0.007 0.000 2.674 632 H HA 0.216 4.763 4.556 -0.015 0.000 0.274 632 H C -0.514 174.832 175.328 0.030 0.000 1.121 632 H CA -0.494 55.562 56.048 0.013 0.000 1.132 632 H CB 0.587 30.346 29.762 -0.005 0.000 1.606 632 H HN -0.029 nan 8.280 nan 0.000 0.558 633 D N 1.698 122.175 120.400 0.127 0.000 2.316 633 D HA 0.045 4.676 4.640 -0.015 0.000 0.245 633 D C -1.602 174.758 176.300 0.100 0.000 1.171 633 D CA -2.089 51.998 54.000 0.145 0.000 0.856 633 D CB 1.688 42.650 40.800 0.270 0.000 1.090 633 D HN 0.109 nan 8.370 nan 0.000 0.476 634 P HA -0.105 nan 4.420 nan 0.000 0.218 634 P C 1.555 178.879 177.300 0.039 0.000 1.149 634 P CA 0.345 63.476 63.100 0.052 0.000 0.817 634 P CB 0.432 32.157 31.700 0.042 0.000 0.785 635 V N -0.603 119.335 119.914 0.039 0.000 2.515 635 V HA -0.164 3.946 4.120 -0.015 0.000 0.250 635 V C 2.432 178.532 176.094 0.009 0.000 1.058 635 V CA 1.497 63.805 62.300 0.014 0.000 1.064 635 V CB -1.007 30.814 31.823 -0.005 0.000 0.675 635 V HN -0.015 nan 8.190 nan 0.000 0.461 636 V N -0.278 119.659 119.914 0.039 0.000 2.379 636 V HA 0.134 4.245 4.120 -0.015 0.000 0.245 636 V C 1.722 177.827 176.094 0.019 0.000 1.044 636 V CA 1.485 63.808 62.300 0.039 0.000 1.036 636 V CB -1.185 30.709 31.823 0.118 0.000 0.664 636 V HN 0.742 nan 8.190 nan 0.000 0.453 637 G N 1.561 110.376 108.800 0.025 0.000 2.552 637 G HA2 -0.355 3.596 3.960 -0.015 0.000 0.265 637 G HA3 -0.355 3.596 3.960 -0.015 0.000 0.265 637 G C 0.184 175.090 174.900 0.010 0.000 1.234 637 G CA 0.381 45.492 45.100 0.017 0.000 0.944 637 G HN 0.678 nan 8.290 nan 0.000 0.568 638 D N 0.279 120.685 120.400 0.010 0.000 2.352 638 D HA 0.140 4.771 4.640 -0.015 0.000 0.236 638 D C 1.833 178.132 176.300 -0.002 0.000 1.148 638 D CA 0.330 54.337 54.000 0.011 0.000 0.844 638 D CB -0.106 40.709 40.800 0.026 0.000 0.933 638 D HN 0.615 nan 8.370 nan 0.000 0.507 639 R N -0.851 119.638 120.500 -0.018 0.000 2.173 639 R HA 0.228 4.559 4.340 -0.015 0.000 0.208 639 R C -0.048 176.217 176.300 -0.059 0.000 1.035 639 R CA 0.103 56.171 56.100 -0.053 0.000 1.004 639 R CB 0.328 30.580 30.300 -0.080 0.000 0.917 639 R HN 0.128 nan 8.270 nan 0.000 0.462 640 L N 0.952 122.155 121.223 -0.033 0.000 2.476 640 L HA 0.390 4.721 4.340 -0.015 0.000 0.269 640 L C -1.484 175.365 176.870 -0.035 0.000 0.965 640 L CA -0.494 54.325 54.840 -0.036 0.000 0.845 640 L CB 1.734 43.785 42.059 -0.012 0.000 1.259 640 L HN -0.163 nan 8.230 nan 0.000 0.403 641 R N 3.984 124.450 120.500 -0.057 0.000 2.621 641 R HA 0.751 5.082 4.340 -0.015 0.000 0.292 641 R C -1.564 174.682 176.300 -0.090 0.000 0.969 641 R CA -0.791 55.264 56.100 -0.075 0.000 0.887 641 R CB 2.391 32.647 30.300 -0.073 0.000 1.180 641 R HN 0.416 nan 8.270 nan 0.000 0.450 642 V N 4.974 124.831 119.914 -0.095 0.000 2.378 642 V HA 0.462 4.572 4.120 -0.015 0.000 0.288 642 V C -0.212 175.834 176.094 -0.080 0.000 1.016 642 V CA -0.720 61.526 62.300 -0.090 0.000 0.840 642 V CB 1.492 33.261 31.823 -0.091 0.000 0.994 642 V HN 0.537 nan 8.190 nan 0.000 0.431 643 I N 4.798 125.319 120.570 -0.082 0.000 2.465 643 I HA 0.450 4.611 4.170 -0.015 0.000 0.291 643 I C -0.647 175.451 176.117 -0.032 0.000 1.014 643 I CA -0.365 60.895 61.300 -0.067 0.000 1.093 643 I CB 1.904 39.839 38.000 -0.109 0.000 1.267 643 I HN 0.556 nan 8.210 nan 0.000 0.431 644 F N 7.091 126.965 119.950 -0.126 0.000 2.391 644 F HA 0.459 4.977 4.527 -0.015 0.000 0.359 644 F C -0.529 175.197 175.800 -0.125 0.000 1.122 644 F CA -0.723 57.206 58.000 -0.118 0.000 1.120 644 F CB 0.630 39.564 39.000 -0.110 0.000 1.142 644 F HN 0.145 nan 8.300 nan 0.000 0.483 645 L N 6.051 126.903 121.223 -0.618 0.000 2.433 645 L HA 0.123 4.454 4.340 -0.015 0.000 0.284 645 L C 0.364 176.984 176.870 -0.417 0.000 1.120 645 L CA 0.217 54.804 54.840 -0.421 0.000 0.879 645 L CB -0.160 41.727 42.059 -0.287 0.000 1.232 645 L HN 0.612 nan 8.230 nan 0.000 0.454 646 E N 3.346 123.447 120.200 -0.166 0.000 2.392 646 E HA -0.035 4.306 4.350 -0.015 0.000 0.264 646 E C 0.540 177.212 176.600 0.120 0.000 1.024 646 E CA -0.147 56.296 56.400 0.072 0.000 0.903 646 E CB 0.284 29.997 29.700 0.022 0.000 0.963 646 E HN 0.532 nan 8.360 nan 0.000 0.432 647 N N 2.551 121.376 118.700 0.207 0.000 2.738 647 N HA -0.277 4.454 4.740 -0.015 0.000 0.249 647 N C -1.550 174.063 175.510 0.172 0.000 1.047 647 N CA 0.512 53.680 53.050 0.196 0.000 0.707 647 N CB -1.593 37.024 38.487 0.217 0.000 0.937 647 N HN 0.479 nan 8.380 nan 0.000 0.545 648 Y N 1.597 121.910 120.300 0.021 0.000 2.717 648 Y HA 0.191 4.732 4.550 -0.015 0.000 0.330 648 Y C 1.150 177.073 175.900 0.038 0.000 1.217 648 Y CA 0.693 58.793 58.100 -0.001 0.000 1.506 648 Y CB 0.327 38.751 38.460 -0.059 0.000 1.268 648 Y HN 0.378 nan 8.280 nan 0.000 0.561 649 R N 2.348 122.508 120.500 -0.566 0.000 2.756 649 R HA 0.392 4.723 4.340 -0.015 0.000 0.273 649 R C -0.641 175.348 176.300 -0.517 0.000 1.030 649 R CA -0.593 55.278 56.100 -0.380 0.000 0.887 649 R CB 0.266 30.530 30.300 -0.061 0.000 1.274 649 R HN 0.360 nan 8.270 nan 0.000 0.461 650 V N 1.124 120.765 119.914 -0.455 0.000 2.287 650 V HA -0.280 3.831 4.120 -0.015 0.000 0.248 650 V C 2.557 178.537 176.094 -0.191 0.000 1.053 650 V CA 2.849 64.928 62.300 -0.369 0.000 1.027 650 V CB -0.744 30.815 31.823 -0.441 0.000 0.646 650 V HN 0.915 nan 8.190 nan 0.000 0.447 651 S N -0.136 115.472 115.700 -0.154 0.000 2.423 651 S HA -0.143 4.318 4.470 -0.015 0.000 0.231 651 S C 1.886 176.444 174.600 -0.070 0.000 1.014 651 S CA 1.493 59.630 58.200 -0.105 0.000 0.965 651 S CB -0.428 62.735 63.200 -0.062 0.000 0.785 651 S HN 0.399 nan 8.310 nan 0.000 0.495 652 L N 1.737 122.928 121.223 -0.054 0.000 2.179 652 L HA 0.387 4.718 4.340 -0.015 0.000 0.208 652 L C 2.607 179.512 176.870 0.058 0.000 1.096 652 L CA 1.235 56.089 54.840 0.024 0.000 0.779 652 L CB -1.180 40.953 42.059 0.124 0.000 0.922 652 L HN 0.336 nan 8.230 nan 0.000 0.443 653 A N -0.601 122.234 122.820 0.026 0.000 1.902 653 A HA -0.224 4.087 4.320 -0.015 0.000 0.217 653 A C 2.114 179.770 177.584 0.121 0.000 1.181 653 A CA 1.769 53.890 52.037 0.141 0.000 0.623 653 A CB -0.594 18.465 19.000 0.099 0.000 0.818 653 A HN 0.582 nan 8.150 nan 0.000 0.443 654 E N -0.423 119.838 120.200 0.102 0.000 2.333 654 E HA -0.163 4.178 4.350 -0.015 0.000 0.198 654 E C 1.825 178.404 176.600 -0.035 0.000 1.007 654 E CA 1.148 57.561 56.400 0.022 0.000 0.845 654 E CB -0.047 29.566 29.700 -0.144 0.000 0.766 654 E HN 0.614 nan 8.360 nan 0.000 0.507 655 K N -0.052 120.312 120.400 -0.059 0.000 2.214 655 K HA 0.039 4.350 4.320 -0.015 0.000 0.201 655 K C 2.124 178.573 176.600 -0.252 0.000 1.049 655 K CA 0.358 56.601 56.287 -0.074 0.000 0.978 655 K CB 0.130 32.598 32.500 -0.053 0.000 0.842 655 K HN -0.043 nan 8.250 nan 0.000 0.474 656 V N 1.748 121.427 119.914 -0.392 0.000 2.535 656 V HA -0.107 4.004 4.120 -0.015 0.000 0.246 656 V C 1.877 177.718 176.094 -0.422 0.000 1.045 656 V CA 1.121 62.957 62.300 -0.774 0.000 1.058 656 V CB -0.121 31.361 31.823 -0.569 0.000 0.689 656 V HN 0.214 nan 8.190 nan 0.000 0.461 657 I N 0.760 121.133 120.570 -0.329 0.000 2.142 657 I HA -0.133 4.028 4.170 -0.015 0.000 0.240 657 I C -0.177 175.802 176.117 -0.231 0.000 1.078 657 I CA 1.726 62.747 61.300 -0.465 0.000 1.343 657 I CB -1.540 36.042 38.000 -0.696 0.000 1.046 657 I HN 0.352 nan 8.210 nan 0.000 0.405 658 P HA -0.168 nan 4.420 nan 0.000 0.219 658 P C 1.100 178.388 177.300 -0.020 0.000 1.146 658 P CA 1.546 64.615 63.100 -0.052 0.000 0.808 658 P CB -0.033 31.649 31.700 -0.030 0.000 0.779 659 A N -1.191 121.599 122.820 -0.050 0.000 2.208 659 A HA 0.388 4.699 4.320 -0.015 0.000 0.209 659 A C 1.241 178.915 177.584 0.150 0.000 1.161 659 A CA 0.321 52.383 52.037 0.042 0.000 0.782 659 A CB -0.806 18.217 19.000 0.039 0.000 0.816 659 A HN 0.221 nan 8.150 nan 0.000 0.477 660 A N -0.092 122.813 122.820 0.143 0.000 2.354 660 A HA 0.477 4.788 4.320 -0.015 0.000 0.269 660 A C 0.344 178.073 177.584 0.241 0.000 1.109 660 A CA -0.179 52.012 52.037 0.256 0.000 0.800 660 A CB 0.373 19.608 19.000 0.392 0.000 1.045 660 A HN 0.282 nan 8.150 nan 0.000 0.489 661 D N 0.549 121.095 120.400 0.243 0.000 2.431 661 D HA 0.109 4.740 4.640 -0.015 0.000 0.235 661 D C 0.073 176.586 176.300 0.356 0.000 0.980 661 D CA 0.702 54.899 54.000 0.330 0.000 0.912 661 D CB 0.254 41.165 40.800 0.184 0.000 1.056 661 D HN 0.360 nan 8.370 nan 0.000 0.494 662 L N 1.311 122.631 121.223 0.161 0.000 2.325 662 L HA 0.282 4.613 4.340 -0.015 0.000 0.281 662 L C -0.658 176.108 176.870 -0.173 0.000 1.004 662 L CA -0.269 54.585 54.840 0.024 0.000 0.823 662 L CB 1.971 44.008 42.059 -0.037 0.000 1.236 662 L HN -0.168 nan 8.230 nan 0.000 0.415 663 S N 4.295 119.810 115.700 -0.308 0.000 2.438 663 S HA 0.301 4.762 4.470 -0.015 0.000 0.293 663 S C -0.343 173.985 174.600 -0.453 0.000 1.141 663 S CA -0.668 57.111 58.200 -0.702 0.000 1.080 663 S CB 0.557 63.300 63.200 -0.761 0.000 0.978 663 S HN 0.529 nan 8.310 nan 0.000 0.479 664 E N 4.125 124.060 120.200 -0.440 0.000 2.081 664 E HA 0.214 4.555 4.350 -0.015 0.000 0.281 664 E C -0.552 175.930 176.600 -0.196 0.000 0.986 664 E CA -0.428 55.840 56.400 -0.220 0.000 0.796 664 E CB 1.062 30.664 29.700 -0.164 0.000 1.085 664 E HN 0.603 nan 8.360 nan 0.000 0.398 665 Q N 2.815 122.560 119.800 -0.092 0.000 2.965 665 Q HA 0.264 4.595 4.340 -0.015 0.000 0.288 665 Q C 0.667 176.661 176.000 -0.011 0.000 0.974 665 Q CA -0.120 55.643 55.803 -0.066 0.000 0.849 665 Q CB 0.211 28.917 28.738 -0.053 0.000 1.280 665 Q HN 0.615 nan 8.270 nan 0.000 0.441 666 I N -1.844 118.712 120.570 -0.025 0.000 3.762 666 I HA 0.263 4.424 4.170 -0.015 0.000 0.333 666 I C 0.428 176.512 176.117 -0.055 0.000 1.566 666 I CA -0.670 60.641 61.300 0.018 0.000 1.129 666 I CB 0.451 38.468 38.000 0.027 0.000 1.218 666 I HN -0.009 nan 8.210 nan 0.000 0.456 667 S N 0.569 116.230 115.700 -0.064 0.000 2.568 667 S HA 0.155 4.616 4.470 -0.015 0.000 0.282 667 S C 0.586 175.175 174.600 -0.018 0.000 1.338 667 S CA -0.271 57.911 58.200 -0.031 0.000 1.045 667 S CB 0.208 63.438 63.200 0.049 0.000 0.873 667 S HN 0.395 nan 8.310 nan 0.000 0.516 668 T N 2.984 117.557 114.554 0.032 0.000 2.908 668 T HA 0.343 4.684 4.350 -0.015 0.000 0.301 668 T C 0.783 175.497 174.700 0.022 0.000 1.019 668 T CA 0.291 62.417 62.100 0.044 0.000 1.152 668 T CB -0.110 68.856 68.868 0.164 0.000 0.966 668 T HN 1.042 nan 8.240 nan 0.000 0.540 669 A N 2.727 125.530 122.820 -0.028 0.000 2.566 669 A HA 0.457 4.768 4.320 -0.015 0.000 0.245 669 A C 1.654 179.232 177.584 -0.009 0.000 1.056 669 A CA 0.265 52.280 52.037 -0.037 0.000 0.757 669 A CB -0.885 18.081 19.000 -0.057 0.000 0.979 669 A HN 1.756 nan 8.150 nan 0.000 0.508 670 G N 1.350 110.142 108.800 -0.013 0.000 2.176 670 G HA2 -0.249 3.702 3.960 -0.015 0.000 0.232 670 G HA3 -0.249 3.702 3.960 -0.015 0.000 0.232 670 G C 0.907 175.790 174.900 -0.027 0.000 0.986 670 G CA 1.119 46.212 45.100 -0.011 0.000 0.643 670 G HN 1.961 nan 8.290 nan 0.000 0.522 671 T N -2.285 112.245 114.554 -0.039 0.000 3.042 671 T HA 0.394 4.735 4.350 -0.015 0.000 0.245 671 T C 0.794 175.298 174.700 -0.325 0.000 1.029 671 T CA 1.105 63.100 62.100 -0.174 0.000 1.120 671 T CB 0.471 69.277 68.868 -0.104 0.000 0.917 671 T HN 0.285 nan 8.240 nan 0.000 0.467 672 E N 1.539 121.697 120.200 -0.070 0.000 2.052 672 E HA 0.644 4.985 4.350 -0.015 0.000 0.283 672 E C 1.138 177.682 176.600 -0.093 0.000 1.071 672 E CA 0.102 56.515 56.400 0.021 0.000 0.851 672 E CB 0.802 30.588 29.700 0.144 0.000 1.066 672 E HN 0.362 nan 8.360 nan 0.000 0.396 673 A N 3.460 126.150 122.820 -0.217 0.000 1.892 673 A HA -0.216 4.095 4.320 -0.015 0.000 0.218 673 A C 2.007 179.454 177.584 -0.228 0.000 1.188 673 A CA 2.270 54.036 52.037 -0.453 0.000 0.631 673 A CB -0.311 18.167 19.000 -0.869 0.000 0.822 673 A HN 0.609 nan 8.150 nan 0.000 0.447 674 S N -3.750 111.880 115.700 -0.116 0.000 3.624 674 S HA 0.449 4.910 4.470 -0.015 0.000 0.244 674 S C 0.760 175.349 174.600 -0.017 0.000 1.115 674 S CA 1.458 59.639 58.200 -0.032 0.000 0.820 674 S CB -0.151 63.054 63.200 0.008 0.000 0.964 674 S HN 2.269 nan 8.310 nan 0.000 0.508 675 G N 0.381 109.177 108.800 -0.007 0.000 2.722 675 G HA2 -0.080 3.871 3.960 -0.015 0.000 0.686 675 G HA3 -0.080 3.871 3.960 -0.015 0.000 0.686 675 G C 0.259 175.143 174.900 -0.026 0.000 1.282 675 G CA 0.444 45.538 45.100 -0.010 0.000 0.817 675 G HN 1.310 nan 8.290 nan 0.000 0.605 676 T N -1.853 112.674 114.554 -0.046 0.000 3.029 676 T HA 0.380 4.721 4.350 -0.015 0.000 0.256 676 T C 2.396 177.006 174.700 -0.150 0.000 0.914 676 T CA 1.249 63.296 62.100 -0.089 0.000 0.880 676 T CB 0.232 69.042 68.868 -0.096 0.000 1.246 676 T HN 1.908 nan 8.240 nan 0.000 0.523 677 G N 3.251 111.989 108.800 -0.103 0.000 2.440 677 G HA2 -0.303 3.648 3.960 -0.015 0.000 0.218 677 G HA3 -0.303 3.648 3.960 -0.015 0.000 0.218 677 G C 1.463 176.433 174.900 0.117 0.000 1.154 677 G CA 1.280 46.352 45.100 -0.046 0.000 0.767 677 G HN 0.836 nan 8.290 nan 0.000 0.552 678 N N -0.049 118.684 118.700 0.054 0.000 2.094 678 N HA -0.114 4.616 4.740 -0.015 0.000 0.191 678 N C 1.442 176.960 175.510 0.015 0.000 1.023 678 N CA 0.702 53.777 53.050 0.041 0.000 0.857 678 N CB -0.354 38.111 38.487 -0.036 0.000 1.013 678 N HN 0.347 nan 8.380 nan 0.000 0.426 682 M N 0.387 120.071 119.600 0.140 0.000 2.149 682 M HA -0.180 4.291 4.480 -0.015 0.000 0.261 682 M C 1.975 178.325 176.300 0.083 0.000 1.064 682 M CA 1.853 57.203 55.300 0.082 0.000 1.102 682 M CB -0.076 32.560 32.600 0.061 0.000 1.369 682 M HN 0.334 nan 8.290 nan 0.000 0.408 683 L N 0.558 121.826 121.223 0.075 0.000 2.291 683 L HA -0.062 4.269 4.340 -0.015 0.000 0.214 683 L C 1.340 178.251 176.870 0.067 0.000 1.120 683 L CA 1.592 56.483 54.840 0.085 0.000 0.799 683 L CB -0.556 41.563 42.059 0.099 0.000 0.925 683 L HN 0.326 nan 8.230 nan 0.000 0.446 684 N N -0.304 118.426 118.700 0.049 0.000 2.214 684 N HA 0.183 4.913 4.740 -0.015 0.000 0.214 684 N C 0.808 176.349 175.510 0.051 0.000 1.132 684 N CA 0.793 53.865 53.050 0.036 0.000 0.856 684 N CB 0.657 39.139 38.487 -0.008 0.000 1.020 684 N HN 0.380 nan 8.380 nan 0.000 0.509 685 G N 0.572 109.411 108.800 0.065 0.000 2.140 685 G HA2 -0.177 3.774 3.960 -0.015 0.000 0.211 685 G HA3 -0.177 3.774 3.960 -0.015 0.000 0.211 685 G C -0.043 174.928 174.900 0.118 0.000 1.013 685 G CA 0.092 45.233 45.100 0.069 0.000 0.705 685 G HN 0.508 nan 8.290 nan 0.000 0.508 686 A N -0.300 122.599 122.820 0.132 0.000 2.312 686 A HA 0.887 5.198 4.320 -0.015 0.000 0.328 686 A C 0.394 177.989 177.584 0.019 0.000 1.158 686 A CA -0.616 51.518 52.037 0.162 0.000 0.821 686 A CB 1.009 20.168 19.000 0.265 0.000 1.170 686 A HN 0.730 nan 8.150 nan 0.000 0.490 687 L N 0.821 122.017 121.223 -0.044 0.000 2.399 687 L HA 0.427 4.758 4.340 -0.015 0.000 0.266 687 L C 0.162 176.917 176.870 -0.193 0.000 1.114 687 L CA -0.342 54.378 54.840 -0.200 0.000 0.804 687 L CB 1.549 43.402 42.059 -0.344 0.000 1.146 687 L HN 0.683 nan 8.230 nan 0.000 0.451 688 T N 3.029 117.352 114.554 -0.386 0.000 2.758 688 T HA 0.425 4.766 4.350 -0.015 0.000 0.285 688 T C -0.310 174.246 174.700 -0.239 0.000 0.981 688 T CA -0.222 61.608 62.100 -0.450 0.000 0.965 688 T CB 1.205 69.596 68.868 -0.795 0.000 0.927 688 T HN 0.336 nan 8.240 nan 0.000 0.448 689 I N 3.352 123.879 120.570 -0.072 0.000 2.315 689 I HA 0.682 4.843 4.170 -0.015 0.000 0.291 689 I C 0.239 176.501 176.117 0.242 0.000 1.006 689 I CA 0.254 61.630 61.300 0.126 0.000 1.265 689 I CB 0.149 38.158 38.000 0.015 0.000 1.387 689 I HN 0.767 nan 8.210 nan 0.000 0.475 690 G N 3.971 112.998 108.800 0.377 0.000 2.576 690 G HA2 0.441 4.392 3.960 -0.015 0.000 0.290 690 G HA3 0.441 4.392 3.960 -0.015 0.000 0.290 690 G C -0.910 173.920 174.900 -0.117 0.000 1.442 690 G CA -0.403 44.829 45.100 0.219 0.000 0.792 690 G HN 0.580 nan 8.290 nan 0.000 0.491 691 T N -1.305 113.037 114.554 -0.353 0.000 2.874 691 T HA 0.508 4.849 4.350 -0.015 0.000 0.281 691 T C 0.726 175.309 174.700 -0.195 0.000 0.994 691 T CA -0.684 61.133 62.100 -0.472 0.000 1.015 691 T CB 1.095 69.698 68.868 -0.442 0.000 1.028 691 T HN 0.258 nan 8.240 nan 0.000 0.523 692 M N 2.900 122.396 119.600 -0.172 0.000 3.254 692 M HA 0.334 4.804 4.480 -0.015 0.000 0.257 692 M C -0.439 175.808 176.300 -0.088 0.000 1.490 692 M CA -0.087 55.147 55.300 -0.110 0.000 1.620 692 M CB -1.785 30.758 32.600 -0.094 0.000 1.157 692 M HN 0.733 nan 8.290 nan 0.000 0.541 693 D N 0.041 120.396 120.400 -0.075 0.000 2.732 693 D HA 0.670 5.301 4.640 -0.015 0.000 0.229 693 D C 0.739 177.018 176.300 -0.034 0.000 1.152 693 D CA 0.727 54.697 54.000 -0.049 0.000 0.854 693 D CB 1.726 42.498 40.800 -0.046 0.000 1.590 693 D HN 0.601 nan 8.370 nan 0.000 0.468 694 G N 1.846 110.635 108.800 -0.019 0.000 2.652 694 G HA2 -0.270 3.681 3.960 -0.015 0.000 0.318 694 G HA3 -0.270 3.681 3.960 -0.015 0.000 0.318 694 G C 1.037 175.931 174.900 -0.010 0.000 1.295 694 G CA 1.267 46.360 45.100 -0.012 0.000 0.999 694 G HN 1.066 nan 8.290 nan 0.000 0.548 695 A N -0.377 122.432 122.820 -0.018 0.000 2.169 695 A HA 0.136 4.447 4.320 -0.015 0.000 0.212 695 A C 2.110 179.637 177.584 -0.096 0.000 1.153 695 A CA 1.698 53.721 52.037 -0.023 0.000 0.756 695 A CB -0.414 18.568 19.000 -0.030 0.000 0.813 695 A HN 0.629 nan 8.150 nan 0.000 0.471 696 N N 0.766 119.415 118.700 -0.084 0.000 2.091 696 N HA -0.184 4.547 4.740 -0.015 0.000 0.193 696 N C 1.612 176.984 175.510 -0.229 0.000 1.021 696 N CA 1.748 54.742 53.050 -0.093 0.000 0.862 696 N CB -0.747 37.738 38.487 -0.003 0.000 1.018 696 N HN 0.283 nan 8.380 nan 0.000 0.429 697 V N 1.217 121.043 119.914 -0.146 0.000 2.287 697 V HA -0.227 3.884 4.120 -0.015 0.000 0.248 697 V C 1.994 178.006 176.094 -0.135 0.000 1.053 697 V CA 1.779 63.991 62.300 -0.146 0.000 1.027 697 V CB -0.508 31.269 31.823 -0.077 0.000 0.646 697 V HN 0.380 nan 8.190 nan 0.000 0.447 698 E N -0.701 119.476 120.200 -0.038 0.000 2.158 698 E HA -0.106 4.235 4.350 -0.015 0.000 0.191 698 E C 2.215 178.922 176.600 0.179 0.000 0.982 698 E CA 0.945 57.399 56.400 0.090 0.000 0.823 698 E CB -0.167 29.669 29.700 0.226 0.000 0.766 698 E HN 0.547 nan 8.360 nan 0.000 0.468 699 M N 0.604 120.200 119.600 -0.006 0.000 2.067 699 M HA -0.143 4.328 4.480 -0.015 0.000 0.260 699 M C 2.547 178.636 176.300 -0.351 0.000 1.069 699 M CA 1.572 56.800 55.300 -0.120 0.000 1.117 699 M CB -0.260 32.153 32.600 -0.312 0.000 1.334 699 M HN 0.139 nan 8.290 nan 0.000 0.407 700 A N 0.007 122.281 122.820 -0.911 0.000 1.908 700 A HA -0.244 4.067 4.320 -0.015 0.000 0.218 700 A C 1.998 179.379 177.584 -0.338 0.000 1.181 700 A CA 2.123 53.583 52.037 -0.961 0.000 0.627 700 A CB -0.884 17.552 19.000 -0.939 0.000 0.818 700 A HN 0.605 nan 8.150 nan 0.000 0.445 701 E N -0.558 119.515 120.200 -0.211 0.000 2.077 701 E HA -0.211 4.130 4.350 -0.015 0.000 0.193 701 E C 1.818 178.392 176.600 -0.044 0.000 0.989 701 E CA 1.213 57.555 56.400 -0.097 0.000 0.800 701 E CB -0.067 29.595 29.700 -0.064 0.000 0.746 701 E HN 0.561 nan 8.360 nan 0.000 0.452 702 E N 0.152 120.355 120.200 0.005 0.000 2.047 702 E HA -0.134 4.207 4.350 -0.015 0.000 0.191 702 E C 1.878 178.505 176.600 0.044 0.000 0.987 702 E CA 1.165 57.591 56.400 0.043 0.000 0.799 702 E CB -0.215 29.565 29.700 0.134 0.000 0.752 702 E HN 0.360 nan 8.360 nan 0.000 0.449 703 A N 0.384 123.238 122.820 0.056 0.000 2.072 703 A HA 0.315 4.626 4.320 -0.015 0.000 0.216 703 A C 1.063 178.667 177.584 0.033 0.000 1.156 703 A CA 1.125 53.209 52.037 0.077 0.000 0.701 703 A CB -0.077 19.027 19.000 0.173 0.000 0.816 703 A HN 0.263 nan 8.150 nan 0.000 0.458 704 G N -0.628 108.167 108.800 -0.009 0.000 3.055 704 G HA2 -0.102 3.849 3.960 -0.015 0.000 0.686 704 G HA3 -0.102 3.849 3.960 -0.015 0.000 0.686 704 G C -0.014 174.870 174.900 -0.026 0.000 1.087 704 G CA 0.000 45.086 45.100 -0.023 0.000 0.779 704 G HN 0.251 nan 8.290 nan 0.000 0.599 705 E N 0.942 121.114 120.200 -0.048 0.000 2.204 705 E HA -0.152 4.189 4.350 -0.015 0.000 0.195 705 E C 2.006 178.594 176.600 -0.021 0.000 0.990 705 E CA 1.709 58.087 56.400 -0.038 0.000 0.821 705 E CB 0.096 29.769 29.700 -0.045 0.000 0.750 705 E HN 0.771 nan 8.360 nan 0.000 0.477 706 E N 0.610 120.784 120.200 -0.043 0.000 2.347 706 E HA -0.065 4.276 4.350 -0.015 0.000 0.196 706 E C 0.979 177.490 176.600 -0.149 0.000 1.008 706 E CA 0.533 56.884 56.400 -0.082 0.000 0.852 706 E CB 0.008 29.673 29.700 -0.058 0.000 0.783 706 E HN 0.121 nan 8.360 nan 0.000 0.505 707 N N -0.300 118.342 118.700 -0.097 0.000 2.235 707 N HA 0.140 4.871 4.740 -0.015 0.000 0.209 707 N C -0.995 174.423 175.510 -0.154 0.000 1.122 707 N CA 0.091 53.055 53.050 -0.143 0.000 0.845 707 N CB 0.362 38.821 38.487 -0.047 0.000 1.004 707 N HN 0.059 nan 8.380 nan 0.000 0.499 708 F N -0.304 119.424 119.950 -0.370 0.000 2.565 708 F HA 0.397 4.914 4.527 -0.016 0.000 0.313 708 F C -0.785 174.784 175.800 -0.385 0.000 1.091 708 F CA -1.101 56.722 58.000 -0.296 0.000 0.915 708 F CB 1.291 40.211 39.000 -0.133 0.000 1.208 708 F HN -0.213 nan 8.300 nan 0.000 0.453 709 F N 5.710 125.642 119.950 -0.031 0.000 2.425 709 F HA 0.411 4.929 4.527 -0.015 0.000 0.354 709 F C -0.055 175.873 175.800 0.213 0.000 1.162 709 F CA -0.379 57.655 58.000 0.056 0.000 1.250 709 F CB -0.117 38.863 39.000 -0.034 0.000 1.579 709 F HN 0.078 nan 8.300 nan 0.000 0.589 710 I N 4.000 124.775 120.570 0.342 0.000 2.365 710 I HA 0.357 4.518 4.170 -0.015 0.000 0.291 710 I C -0.218 176.085 176.117 0.311 0.000 1.004 710 I CA -0.586 60.881 61.300 0.279 0.000 1.311 710 I CB 0.747 38.837 38.000 0.150 0.000 1.401 710 I HN 0.339 nan 8.210 nan 0.000 0.491 711 F N 3.604 123.625 119.950 0.118 0.000 2.685 711 F HA 0.942 5.460 4.527 -0.016 0.000 0.315 711 F C 0.019 175.864 175.800 0.075 0.000 1.126 711 F CA -0.699 57.359 58.000 0.097 0.000 0.950 711 F CB 1.012 40.084 39.000 0.119 0.000 1.360 711 F HN 0.759 nan 8.300 nan 0.000 0.469 712 G N 0.920 109.795 108.800 0.125 0.000 2.757 712 G HA2 -0.061 3.890 3.960 -0.015 0.000 0.638 712 G HA3 -0.061 3.890 3.960 -0.015 0.000 0.638 712 G C -0.939 173.940 174.900 -0.034 0.000 1.344 712 G CA -0.658 44.455 45.100 0.022 0.000 0.855 712 G HN 0.951 nan 8.290 nan 0.000 0.537 713 M N 1.007 120.599 119.600 -0.014 0.000 2.249 713 M HA 0.204 4.675 4.480 -0.015 0.000 0.340 713 M C 1.279 177.548 176.300 -0.053 0.000 1.166 713 M CA 0.065 55.360 55.300 -0.009 0.000 1.115 713 M CB 0.275 32.878 32.600 0.005 0.000 1.606 713 M HN 0.520 nan 8.290 nan 0.000 0.448 714 R N 1.829 122.310 120.500 -0.032 0.000 2.541 714 R HA 0.240 4.571 4.340 -0.015 0.000 0.263 714 R C 1.240 177.523 176.300 -0.029 0.000 1.112 714 R CA -0.525 55.551 56.100 -0.040 0.000 1.170 714 R CB -0.061 30.222 30.300 -0.029 0.000 1.167 714 R HN 0.577 nan 8.270 nan 0.000 0.582 715 V N 1.556 121.452 119.914 -0.030 0.000 2.278 715 V HA -0.300 3.811 4.120 -0.015 0.000 0.251 715 V C 1.942 178.028 176.094 -0.015 0.000 1.062 715 V CA 2.175 64.462 62.300 -0.023 0.000 1.038 715 V CB -0.492 31.316 31.823 -0.026 0.000 0.646 715 V HN 0.644 nan 8.190 nan 0.000 0.447 716 E N 0.069 120.262 120.200 -0.012 0.000 2.118 716 E HA -0.193 4.148 4.350 -0.015 0.000 0.195 716 E C 1.963 178.568 176.600 0.008 0.000 0.992 716 E CA 1.428 57.826 56.400 -0.004 0.000 0.804 716 E CB -0.375 29.324 29.700 -0.003 0.000 0.741 716 E HN 0.638 nan 8.360 nan 0.000 0.458 717 D N -0.136 120.270 120.400 0.011 0.000 2.144 717 D HA -0.100 4.531 4.640 -0.015 0.000 0.200 717 D C 1.980 178.298 176.300 0.030 0.000 0.978 717 D CA 0.900 54.916 54.000 0.028 0.000 0.833 717 D CB -0.038 40.782 40.800 0.032 0.000 0.961 717 D HN 0.076 nan 8.370 nan 0.000 0.470 718 V N 1.892 121.812 119.914 0.010 0.000 2.295 718 V HA -0.209 3.902 4.120 -0.015 0.000 0.246 718 V C 2.032 178.130 176.094 0.007 0.000 1.049 718 V CA 1.609 63.909 62.300 -0.001 0.000 1.024 718 V CB -0.434 31.379 31.823 -0.017 0.000 0.648 718 V HN 0.027 nan 8.190 nan 0.000 0.447 719 D N 0.120 120.523 120.400 0.005 0.000 2.116 719 D HA -0.192 4.439 4.640 -0.015 0.000 0.193 719 D C 2.418 178.731 176.300 0.022 0.000 0.998 719 D CA 1.508 55.512 54.000 0.007 0.000 0.836 719 D CB -0.263 40.538 40.800 0.001 0.000 0.951 719 D HN 0.353 nan 8.370 nan 0.000 0.449 720 R N 0.028 120.545 120.500 0.030 0.000 2.096 720 R HA -0.011 4.320 4.340 -0.015 0.000 0.235 720 R C 2.500 178.837 176.300 0.061 0.000 1.127 720 R CA 0.444 56.569 56.100 0.041 0.000 0.968 720 R CB -0.284 30.042 30.300 0.043 0.000 0.861 720 R HN 0.204 nan 8.270 nan 0.000 0.440 721 L N 0.427 121.696 121.223 0.076 0.000 2.109 721 L HA -0.173 4.158 4.340 -0.015 0.000 0.207 721 L C 1.343 178.280 176.870 0.112 0.000 1.086 721 L CA 1.223 56.135 54.840 0.120 0.000 0.760 721 L CB -0.189 41.961 42.059 0.150 0.000 0.910 721 L HN 0.224 nan 8.230 nan 0.000 0.437 722 D N -0.414 120.026 120.400 0.068 0.000 2.117 722 D HA -0.202 4.429 4.640 -0.015 0.000 0.198 722 D C 2.182 178.512 176.300 0.050 0.000 0.982 722 D CA 1.098 55.130 54.000 0.053 0.000 0.828 722 D CB -0.037 40.775 40.800 0.020 0.000 0.967 722 D HN 0.406 nan 8.370 nan 0.000 0.464 723 Q N 0.014 119.840 119.800 0.042 0.000 2.124 723 Q HA -0.108 4.223 4.340 -0.015 0.000 0.202 723 Q C 2.181 178.206 176.000 0.041 0.000 0.977 723 Q CA 0.978 56.802 55.803 0.035 0.000 0.850 723 Q CB 0.053 28.808 28.738 0.029 0.000 0.901 723 Q HN 0.133 nan 8.270 nan 0.000 0.429 724 R N -0.519 120.013 120.500 0.054 0.000 2.173 724 R HA 0.076 4.407 4.340 -0.015 0.000 0.208 724 R C -0.179 176.158 176.300 0.062 0.000 1.035 724 R CA 0.724 56.857 56.100 0.055 0.000 1.004 724 R CB 0.500 30.838 30.300 0.064 0.000 0.917 724 R HN 0.262 nan 8.270 nan 0.000 0.462 725 G N 0.340 109.190 108.800 0.083 0.000 3.338 725 G HA2 -0.276 3.675 3.960 -0.015 0.000 0.686 725 G HA3 -0.276 3.675 3.960 -0.015 0.000 0.686 725 G C -1.332 173.657 174.900 0.148 0.000 1.053 725 G CA -0.412 44.746 45.100 0.096 0.000 0.852 725 G HN 0.277 nan 8.290 nan 0.000 0.545 726 Y N 3.288 123.617 120.300 0.048 0.000 2.486 726 Y HA 0.581 5.122 4.550 -0.015 0.000 0.348 726 Y C 0.271 176.218 175.900 0.077 0.000 1.000 726 Y CA -1.178 56.969 58.100 0.078 0.000 1.253 726 Y CB 1.046 39.534 38.460 0.047 0.000 1.140 726 Y HN 0.610 nan 8.280 nan 0.000 0.526 727 N N 4.894 123.393 118.700 -0.335 0.000 2.558 727 N HA 0.335 5.066 4.740 -0.015 0.000 0.242 727 N C 0.274 175.538 175.510 -0.411 0.000 0.979 727 N CA 0.246 53.095 53.050 -0.334 0.000 0.931 727 N CB 1.196 39.605 38.487 -0.129 0.000 1.122 727 N HN 0.774 nan 8.380 nan 0.000 0.508 728 A N 2.833 125.299 122.820 -0.590 0.000 2.015 728 A HA -0.165 4.146 4.320 -0.015 0.000 0.219 728 A C 1.870 179.562 177.584 0.179 0.000 1.163 728 A CA 1.261 53.162 52.037 -0.227 0.000 0.646 728 A CB -0.391 18.372 19.000 -0.394 0.000 0.806 728 A HN 0.702 nan 8.150 nan 0.000 0.448 729 Q N 0.441 120.241 119.800 -0.001 0.000 2.112 729 Q HA -0.240 4.091 4.340 -0.015 0.000 0.206 729 Q C 1.864 177.933 176.000 0.114 0.000 0.987 729 Q CA 2.350 58.179 55.803 0.044 0.000 0.858 729 Q CB -0.389 28.326 28.738 -0.039 0.000 0.905 729 Q HN 0.764 nan 8.270 nan 0.000 0.420 730 E N -1.408 118.801 120.200 0.016 0.000 2.070 730 E HA -0.247 4.094 4.350 -0.015 0.000 0.197 730 E C 1.598 178.132 176.600 -0.111 0.000 1.004 730 E CA 1.589 57.928 56.400 -0.101 0.000 0.805 730 E CB -0.229 29.314 29.700 -0.263 0.000 0.744 730 E HN 0.597 nan 8.360 nan 0.000 0.451 731 Y N -1.224 119.148 120.300 0.120 0.000 2.263 731 Y HA -0.185 4.356 4.550 -0.015 0.000 0.292 731 Y C 2.183 178.095 175.900 0.019 0.000 1.130 731 Y CA 1.402 59.566 58.100 0.106 0.000 1.179 731 Y CB -0.671 37.911 38.460 0.204 0.000 0.998 731 Y HN 0.224 nan 8.280 nan 0.000 0.532 732 Y N 1.396 121.749 120.300 0.089 0.000 2.128 732 Y HA -0.281 4.260 4.550 -0.015 0.000 0.284 732 Y C 1.819 177.695 175.900 -0.039 0.000 1.154 732 Y CA 1.938 60.012 58.100 -0.043 0.000 1.149 732 Y CB -0.364 38.122 38.460 0.044 0.000 0.976 732 Y HN 0.078 nan 8.280 nan 0.000 0.505 733 D N -0.467 120.035 120.400 0.171 0.000 2.224 733 D HA -0.084 4.547 4.640 -0.015 0.000 0.205 733 D C 1.855 178.138 176.300 -0.029 0.000 0.965 733 D CA 1.112 55.155 54.000 0.071 0.000 0.852 733 D CB -0.081 40.775 40.800 0.094 0.000 0.947 733 D HN 0.491 nan 8.370 nan 0.000 0.494 734 R N -0.250 120.231 120.500 -0.033 0.000 2.308 734 R HA 0.281 4.612 4.340 -0.015 0.000 0.202 734 R C 0.412 176.693 176.300 -0.032 0.000 0.898 734 R CA 0.083 56.162 56.100 -0.035 0.000 1.046 734 R CB 1.170 31.445 30.300 -0.041 0.000 1.026 734 R HN 0.135 nan 8.270 nan 0.000 0.512 735 I N 2.471 123.006 120.570 -0.058 0.000 2.405 735 I HA 0.222 4.383 4.170 -0.015 0.000 0.280 735 I C -1.930 174.101 176.117 -0.144 0.000 1.027 735 I CA -2.336 58.934 61.300 -0.050 0.000 1.161 735 I CB 2.040 40.052 38.000 0.020 0.000 1.300 735 I HN -0.284 nan 8.210 nan 0.000 0.463 736 P HA -0.151 nan 4.420 nan 0.000 0.216 736 P C 1.181 178.392 177.300 -0.148 0.000 1.150 736 P CA 1.327 64.342 63.100 -0.142 0.000 0.837 736 P CB 0.315 31.963 31.700 -0.087 0.000 0.786 737 E N -0.938 119.211 120.200 -0.084 0.000 2.106 737 E HA -0.157 4.183 4.350 -0.015 0.000 0.192 737 E C 1.861 178.368 176.600 -0.154 0.000 0.984 737 E CA 0.701 57.067 56.400 -0.057 0.000 0.806 737 E CB -0.591 29.147 29.700 0.062 0.000 0.750 737 E HN 0.121 nan 8.360 nan 0.000 0.458 738 L N 1.223 122.272 121.223 -0.289 0.000 2.056 738 L HA -0.121 4.209 4.340 -0.015 0.000 0.207 738 L C 2.350 178.940 176.870 -0.466 0.000 1.078 738 L CA 1.581 56.075 54.840 -0.577 0.000 0.749 738 L CB -0.281 41.288 42.059 -0.816 0.000 0.901 738 L HN -0.090 nan 8.230 nan 0.000 0.433 739 R N -0.851 119.353 120.500 -0.493 0.000 2.083 739 R HA -0.245 4.086 4.340 -0.015 0.000 0.237 739 R C 2.421 178.538 176.300 -0.306 0.000 1.137 739 R CA 2.069 57.782 56.100 -0.645 0.000 0.951 739 R CB -0.386 29.482 30.300 -0.720 0.000 0.851 739 R HN 0.587 nan 8.270 nan 0.000 0.434 740 Q N 0.388 120.054 119.800 -0.223 0.000 2.096 740 Q HA -0.198 4.133 4.340 -0.015 0.000 0.204 740 Q C 2.091 178.034 176.000 -0.095 0.000 0.982 740 Q CA 2.009 57.729 55.803 -0.139 0.000 0.850 740 Q CB -0.114 28.546 28.738 -0.130 0.000 0.901 740 Q HN 0.475 nan 8.270 nan 0.000 0.422 741 I N 0.590 121.100 120.570 -0.100 0.000 2.226 741 I HA -0.293 3.868 4.170 -0.015 0.000 0.245 741 I C 2.134 178.266 176.117 0.024 0.000 1.100 741 I CA 0.654 61.933 61.300 -0.035 0.000 1.374 741 I CB -0.303 37.645 38.000 -0.087 0.000 1.057 741 I HN 0.298 nan 8.210 nan 0.000 0.413 742 I N 0.821 121.402 120.570 0.019 0.000 2.226 742 I HA -0.241 3.920 4.170 -0.015 0.000 0.245 742 I C 2.435 178.651 176.117 0.165 0.000 1.100 742 I CA 1.678 63.063 61.300 0.142 0.000 1.374 742 I CB -1.247 36.930 38.000 0.295 0.000 1.057 742 I HN 0.342 nan 8.210 nan 0.000 0.413 743 E N 0.233 120.509 120.200 0.126 0.000 2.106 743 E HA -0.212 4.129 4.350 -0.015 0.000 0.192 743 E C 2.170 178.832 176.600 0.104 0.000 0.984 743 E CA 0.767 57.235 56.400 0.114 0.000 0.806 743 E CB -0.074 29.666 29.700 0.066 0.000 0.750 743 E HN 0.571 nan 8.360 nan 0.000 0.458 744 Q N 0.463 120.309 119.800 0.077 0.000 2.084 744 Q HA -0.134 4.197 4.340 -0.015 0.000 0.202 744 Q C 2.347 178.540 176.000 0.323 0.000 0.978 744 Q CA 0.989 56.856 55.803 0.108 0.000 0.844 744 Q CB -0.046 28.694 28.738 0.003 0.000 0.898 744 Q HN 0.304 nan 8.270 nan 0.000 0.426 745 L N 0.015 121.425 121.223 0.312 0.000 1.994 745 L HA -0.213 4.118 4.340 -0.015 0.000 0.208 745 L C 2.478 179.536 176.870 0.314 0.000 1.071 745 L CA 1.136 56.170 54.840 0.324 0.000 0.745 745 L CB -0.432 41.728 42.059 0.168 0.000 0.892 745 L HN 0.166 nan 8.230 nan 0.000 0.431 746 S N -0.213 115.626 115.700 0.231 0.000 2.356 746 S HA -0.163 4.298 4.470 -0.015 0.000 0.223 746 S C 2.080 176.787 174.600 0.178 0.000 1.032 746 S CA 1.543 59.858 58.200 0.192 0.000 1.005 746 S CB -0.303 62.989 63.200 0.152 0.000 0.867 746 S HN 0.608 nan 8.310 nan 0.000 0.449 747 S N 0.704 116.509 115.700 0.175 0.000 2.515 747 S HA 0.226 4.687 4.470 -0.015 0.000 0.231 747 S C 1.470 176.169 174.600 0.164 0.000 0.987 747 S CA 0.799 59.089 58.200 0.149 0.000 0.936 747 S CB -0.420 62.860 63.200 0.134 0.000 0.766 747 S HN 0.915 nan 8.310 nan 0.000 0.528 748 G N 0.515 109.448 108.800 0.222 0.000 2.142 748 G HA2 -0.279 3.672 3.960 -0.015 0.000 0.225 748 G HA3 -0.279 3.672 3.960 -0.015 0.000 0.225 748 G C 0.124 175.133 174.900 0.182 0.000 1.015 748 G CA 0.119 45.344 45.100 0.207 0.000 0.716 748 G HN 0.537 nan 8.290 nan 0.000 0.508 749 F N 0.032 120.003 119.950 0.035 0.000 2.216 749 F HA 0.206 4.723 4.527 -0.015 0.000 0.300 749 F C 1.900 177.509 175.800 -0.318 0.000 1.085 749 F CA 1.897 59.792 58.000 -0.175 0.000 1.326 749 F CB -0.020 38.803 39.000 -0.294 0.000 1.027 749 F HN 0.190 nan 8.300 nan 0.000 0.497 750 F N -0.450 119.621 119.950 0.202 0.000 2.727 750 F HA 0.194 4.712 4.527 -0.015 0.000 0.302 750 F C 0.703 176.612 175.800 0.181 0.000 1.097 750 F CA 0.221 58.293 58.000 0.120 0.000 1.330 750 F CB -0.034 39.034 39.000 0.113 0.000 1.084 750 F HN -0.049 nan 8.300 nan 0.000 0.578 751 S N -1.538 114.326 115.700 0.273 0.000 2.440 751 S HA 0.328 4.789 4.470 -0.015 0.000 0.142 751 S C -2.476 172.150 174.600 0.044 0.000 1.578 751 S CA -1.075 57.205 58.200 0.134 0.000 1.260 751 S CB 0.936 64.175 63.200 0.064 0.000 1.407 751 S HN -0.180 nan 8.310 nan 0.000 0.392 752 P HA -0.009 nan 4.420 nan 0.000 0.220 752 P C 0.878 178.170 177.300 -0.014 0.000 1.148 752 P CA 1.050 64.130 63.100 -0.033 0.000 0.803 752 P CB 0.094 31.745 31.700 -0.081 0.000 0.782 753 K N -1.323 119.071 120.400 -0.011 0.000 2.352 753 K HA 0.102 4.413 4.320 -0.015 0.000 0.194 753 K C 0.587 177.185 176.600 -0.002 0.000 1.038 753 K CA 0.502 56.785 56.287 -0.007 0.000 1.023 753 K CB 0.270 32.765 32.500 -0.008 0.000 0.840 753 K HN 0.211 nan 8.250 nan 0.000 0.519 754 Q N 0.103 119.900 119.800 -0.005 0.000 2.907 754 Q HA 0.160 4.491 4.340 -0.015 0.000 0.262 754 Q C -2.376 173.617 176.000 -0.012 0.000 0.997 754 Q CA -1.648 54.147 55.803 -0.014 0.000 0.797 754 Q CB 1.474 30.195 28.738 -0.029 0.000 1.228 754 Q HN -0.082 nan 8.270 nan 0.000 0.466 755 P HA -0.202 nan 4.420 nan 0.000 0.219 755 P C 0.552 177.892 177.300 0.065 0.000 1.146 755 P CA 1.363 64.494 63.100 0.052 0.000 0.808 755 P CB 0.222 31.952 31.700 0.051 0.000 0.779 756 D N -1.335 119.085 120.400 0.034 0.000 2.388 756 D HA 0.003 4.634 4.640 -0.015 0.000 0.221 756 D C 1.541 177.840 176.300 -0.002 0.000 1.133 756 D CA -0.278 53.749 54.000 0.044 0.000 0.831 756 D CB -0.655 40.171 40.800 0.043 0.000 0.962 756 D HN 0.019 nan 8.370 nan 0.000 0.502 757 L N -0.118 121.037 121.223 -0.113 0.000 2.081 757 L HA -0.030 4.301 4.340 -0.015 0.000 0.212 757 L C 1.066 177.715 176.870 -0.368 0.000 1.080 757 L CA 1.620 56.272 54.840 -0.313 0.000 0.754 757 L CB -0.587 41.113 42.059 -0.598 0.000 0.893 757 L HN -0.017 nan 8.230 nan 0.000 0.433 758 F N -0.541 119.465 119.950 0.093 0.000 2.730 758 F HA 0.144 4.662 4.527 -0.015 0.000 0.295 758 F C 1.802 177.654 175.800 0.086 0.000 1.143 758 F CA -0.222 57.822 58.000 0.074 0.000 1.367 758 F CB -0.353 38.679 39.000 0.054 0.000 0.970 758 F HN 0.102 nan 8.300 nan 0.000 0.514 759 K N -0.507 120.006 120.400 0.188 0.000 2.097 759 K HA -0.159 4.151 4.320 -0.015 0.000 0.206 759 K C 0.891 177.590 176.600 0.164 0.000 1.049 759 K CA 1.838 58.221 56.287 0.159 0.000 0.933 759 K CB -0.199 32.369 32.500 0.114 0.000 0.717 759 K HN 0.085 nan 8.250 nan 0.000 0.442 760 D N 1.352 121.859 120.400 0.178 0.000 2.144 760 D HA -0.055 4.576 4.640 -0.015 0.000 0.200 760 D C 2.070 178.474 176.300 0.173 0.000 0.978 760 D CA 1.016 55.127 54.000 0.186 0.000 0.833 760 D CB -0.093 40.852 40.800 0.242 0.000 0.961 760 D HN 0.292 nan 8.370 nan 0.000 0.470 761 I N 0.553 121.229 120.570 0.176 0.000 2.163 761 I HA -0.218 3.943 4.170 -0.015 0.000 0.240 761 I C 2.444 178.625 176.117 0.107 0.000 1.081 761 I CA 0.651 62.029 61.300 0.130 0.000 1.353 761 I CB -0.300 37.775 38.000 0.125 0.000 1.054 761 I HN -0.116 nan 8.210 nan 0.000 0.407 762 V N 1.278 121.271 119.914 0.132 0.000 2.287 762 V HA -0.320 3.791 4.120 -0.015 0.000 0.248 762 V C 2.264 178.395 176.094 0.061 0.000 1.053 762 V CA 2.496 64.861 62.300 0.109 0.000 1.027 762 V CB -1.016 30.888 31.823 0.134 0.000 0.646 762 V HN 0.481 nan 8.190 nan 0.000 0.447 763 N N -0.242 118.526 118.700 0.113 0.000 2.104 763 N HA -0.221 4.509 4.740 -0.015 0.000 0.190 763 N C 1.841 177.432 175.510 0.135 0.000 1.024 763 N CA 1.863 55.014 53.050 0.169 0.000 0.853 763 N CB -0.276 38.345 38.487 0.223 0.000 1.008 763 N HN 0.346 nan 8.380 nan 0.000 0.424 764 M N -0.210 119.468 119.600 0.130 0.000 2.067 764 M HA -0.106 4.365 4.480 -0.015 0.000 0.260 764 M C 1.457 177.747 176.300 -0.016 0.000 1.069 764 M CA 1.301 56.676 55.300 0.124 0.000 1.117 764 M CB -0.698 31.981 32.600 0.131 0.000 1.334 764 M HN 0.205 nan 8.290 nan 0.000 0.407 765 L N 0.785 121.952 121.223 -0.093 0.000 2.042 765 L HA -0.238 4.093 4.340 -0.015 0.000 0.210 765 L C 2.505 179.069 176.870 -0.510 0.000 1.076 765 L CA 1.742 56.389 54.840 -0.322 0.000 0.749 765 L CB -1.197 40.708 42.059 -0.256 0.000 0.893 765 L HN 0.355 nan 8.230 nan 0.000 0.432 766 M N -1.958 117.403 119.600 -0.398 0.000 2.236 766 M HA -0.085 4.386 4.480 -0.015 0.000 0.266 766 M C 1.960 177.827 176.300 -0.722 0.000 1.070 766 M CA 1.507 56.462 55.300 -0.576 0.000 1.137 766 M CB -0.819 31.351 32.600 -0.718 0.000 1.378 766 M HN 0.359 nan 8.290 nan 0.000 0.426 767 H N -2.464 116.436 119.070 -0.283 0.000 2.926 767 H HA 0.217 4.764 4.556 -0.015 0.000 0.249 767 H C 0.190 175.115 175.328 -0.672 0.000 0.963 767 H CA 0.537 56.269 56.048 -0.526 0.000 1.158 767 H CB 0.302 29.633 29.762 -0.719 0.000 1.445 767 H HN 0.493 nan 8.280 nan 0.000 0.452 768 H N 0.378 119.500 119.070 0.087 0.000 2.624 768 H HA 0.180 4.726 4.556 -0.015 0.000 0.233 768 H C -0.776 174.567 175.328 0.026 0.000 1.376 768 H CA -0.382 55.701 56.048 0.059 0.000 1.137 768 H CB 0.695 30.492 29.762 0.058 0.000 1.867 768 H HN -0.011 nan 8.280 nan 0.000 0.547 769 D N 1.187 121.636 120.400 0.082 0.000 2.393 769 D HA 0.094 4.725 4.640 -0.015 0.000 0.232 769 D C 0.983 177.231 176.300 -0.086 0.000 1.192 769 D CA -0.226 53.792 54.000 0.030 0.000 0.882 769 D CB 0.558 41.366 40.800 0.014 0.000 1.038 769 D HN 0.359 nan 8.370 nan 0.000 0.499 770 R N 2.215 122.564 120.500 -0.253 0.000 2.189 770 R HA -0.064 4.267 4.340 -0.015 0.000 0.223 770 R C 0.641 176.464 176.300 -0.795 0.000 1.092 770 R CA 0.950 56.679 56.100 -0.617 0.000 0.989 770 R CB 0.105 29.800 30.300 -1.009 0.000 0.876 770 R HN 0.404 nan 8.270 nan 0.000 0.457 771 F N 0.170 120.075 119.950 -0.074 0.000 2.661 771 F HA 0.278 4.796 4.527 -0.015 0.000 0.306 771 F C 0.011 175.687 175.800 -0.206 0.000 1.094 771 F CA -0.668 57.278 58.000 -0.090 0.000 1.254 771 F CB 0.264 39.278 39.000 0.022 0.000 1.040 771 F HN -0.254 nan 8.300 nan 0.000 0.562 772 K N -0.330 119.876 120.400 -0.322 0.000 3.257 772 K HA -0.173 4.138 4.320 -0.015 0.000 0.270 772 K C 0.950 177.424 176.600 -0.210 0.000 0.984 772 K CA 0.208 56.103 56.287 -0.653 0.000 0.739 772 K CB -1.918 30.126 32.500 -0.760 0.000 1.351 772 K HN 0.206 nan 8.250 nan 0.000 0.463 773 V N -0.000 119.880 119.914 -0.056 0.000 2.252 773 V HA -0.308 3.803 4.120 -0.015 0.000 0.249 773 V C 1.975 178.218 176.094 0.250 0.000 1.056 773 V CA 2.422 64.776 62.300 0.090 0.000 1.022 773 V CB -0.525 31.360 31.823 0.104 0.000 0.641 773 V HN 0.497 nan 8.190 nan 0.000 0.445 774 F N 0.252 120.203 119.950 0.001 0.000 2.171 774 F HA -0.184 4.334 4.527 -0.015 0.000 0.300 774 F C 2.551 178.141 175.800 -0.350 0.000 1.090 774 F CA 0.673 58.619 58.000 -0.091 0.000 1.293 774 F CB -0.430 38.531 39.000 -0.065 0.000 1.013 774 F HN 0.194 nan 8.300 nan 0.000 0.486 775 A N -0.476 122.170 122.820 -0.290 0.000 2.024 775 A HA -0.206 4.104 4.320 -0.015 0.000 0.220 775 A C 1.484 179.059 177.584 -0.014 0.000 1.164 775 A CA 1.978 53.767 52.037 -0.413 0.000 0.643 775 A CB -0.476 18.432 19.000 -0.153 0.000 0.806 775 A HN 0.251 nan 8.150 nan 0.000 0.451 776 D N -2.964 117.489 120.400 0.087 0.000 2.379 776 D HA 0.082 4.713 4.640 -0.015 0.000 0.208 776 D C 1.217 177.674 176.300 0.262 0.000 1.065 776 D CA 0.010 54.136 54.000 0.209 0.000 0.848 776 D CB -0.135 40.805 40.800 0.233 0.000 0.949 776 D HN 0.594 nan 8.370 nan 0.000 0.509 777 Y N 2.101 122.475 120.300 0.123 0.000 2.097 777 Y HA -0.228 4.313 4.550 -0.015 0.000 0.282 777 Y C 2.092 178.071 175.900 0.132 0.000 1.152 777 Y CA 1.901 60.081 58.100 0.133 0.000 1.136 777 Y CB 0.182 38.685 38.460 0.071 0.000 0.975 777 Y HN -0.107 nan 8.280 nan 0.000 0.498 778 E N 0.045 120.276 120.200 0.051 0.000 2.023 778 E HA -0.253 4.087 4.350 -0.015 0.000 0.196 778 E C 2.190 178.752 176.600 -0.064 0.000 1.003 778 E CA 1.618 57.988 56.400 -0.050 0.000 0.809 778 E CB -0.216 29.561 29.700 0.128 0.000 0.755 778 E HN 0.618 nan 8.360 nan 0.000 0.449 779 E N -0.194 120.047 120.200 0.069 0.000 2.118 779 E HA -0.224 4.117 4.350 -0.015 0.000 0.195 779 E C 1.947 178.546 176.600 -0.002 0.000 0.992 779 E CA 0.960 57.426 56.400 0.109 0.000 0.804 779 E CB -0.173 29.680 29.700 0.256 0.000 0.741 779 E HN 0.283 nan 8.360 nan 0.000 0.458 780 Y N 1.226 121.345 120.300 -0.301 0.000 2.133 780 Y HA -0.225 4.316 4.550 -0.015 0.000 0.287 780 Y C 2.199 177.725 175.900 -0.624 0.000 1.134 780 Y CA 1.046 58.666 58.100 -0.801 0.000 1.133 780 Y CB -0.530 37.488 38.460 -0.738 0.000 0.987 780 Y HN -0.211 nan 8.280 nan 0.000 0.502 781 V N 0.478 120.046 119.914 -0.577 0.000 2.287 781 V HA -0.334 3.777 4.120 -0.015 0.000 0.248 781 V C 2.334 178.203 176.094 -0.375 0.000 1.053 781 V CA 2.393 64.374 62.300 -0.532 0.000 1.027 781 V CB -0.669 30.858 31.823 -0.492 0.000 0.646 781 V HN 0.257 nan 8.190 nan 0.000 0.447 782 K N -0.696 119.549 120.400 -0.259 0.000 2.044 782 K HA -0.243 4.068 4.320 -0.015 0.000 0.210 782 K C 2.295 178.804 176.600 -0.151 0.000 1.049 782 K CA 2.033 58.231 56.287 -0.148 0.000 0.927 782 K CB -0.837 31.623 32.500 -0.067 0.000 0.713 782 K HN 0.564 nan 8.250 nan 0.000 0.443 783 C N 0.995 120.183 119.300 -0.187 0.000 2.425 783 C HA -0.105 4.346 4.460 -0.015 0.000 0.277 783 C C 2.537 177.354 174.990 -0.288 0.000 1.280 783 C CA 0.774 59.711 59.018 -0.136 0.000 1.744 783 C CB -0.728 26.963 27.740 -0.081 0.000 1.989 783 C HN 0.449 nan 8.230 nan 0.000 0.491 784 Q N 0.459 119.944 119.800 -0.525 0.000 2.170 784 Q HA -0.179 4.152 4.340 -0.015 0.000 0.203 784 Q C 2.005 177.814 176.000 -0.318 0.000 0.976 784 Q CA 1.703 57.153 55.803 -0.589 0.000 0.858 784 Q CB -0.414 27.720 28.738 -1.007 0.000 0.907 784 Q HN 0.762 nan 8.270 nan 0.000 0.433 785 E N 0.177 120.250 120.200 -0.212 0.000 2.110 785 E HA -0.151 4.189 4.350 -0.015 0.000 0.193 785 E C 2.081 178.645 176.600 -0.061 0.000 0.988 785 E CA 0.638 56.975 56.400 -0.106 0.000 0.804 785 E CB -0.041 29.614 29.700 -0.074 0.000 0.745 785 E HN 0.264 nan 8.360 nan 0.000 0.458 786 R N 0.435 120.907 120.500 -0.047 0.000 2.115 786 R HA -0.087 4.244 4.340 -0.015 0.000 0.230 786 R C 2.411 178.739 176.300 0.046 0.000 1.111 786 R CA 0.899 57.039 56.100 0.068 0.000 0.976 786 R CB -0.303 30.104 30.300 0.179 0.000 0.870 786 R HN 0.074 nan 8.270 nan 0.000 0.445 787 V N 0.536 120.283 119.914 -0.278 0.000 2.295 787 V HA -0.243 3.868 4.120 -0.015 0.000 0.246 787 V C 2.235 178.321 176.094 -0.014 0.000 1.049 787 V CA 1.939 63.969 62.300 -0.450 0.000 1.024 787 V CB -0.420 31.012 31.823 -0.652 0.000 0.648 787 V HN 0.275 nan 8.190 nan 0.000 0.447 788 S N -0.000 115.661 115.700 -0.064 0.000 2.370 788 S HA -0.213 4.248 4.470 -0.015 0.000 0.226 788 S C 2.208 176.870 174.600 0.104 0.000 1.033 788 S CA 1.531 59.728 58.200 -0.005 0.000 1.011 788 S CB -0.522 62.648 63.200 -0.050 0.000 0.852 788 S HN 0.658 nan 8.310 nan 0.000 0.457 789 A N 1.313 124.196 122.820 0.106 0.000 1.877 789 A HA -0.021 4.289 4.320 -0.015 0.000 0.216 789 A C 2.119 179.821 177.584 0.196 0.000 1.186 789 A CA 1.153 53.272 52.037 0.137 0.000 0.620 789 A CB -0.769 18.300 19.000 0.116 0.000 0.822 789 A HN 0.463 nan 8.150 nan 0.000 0.443 790 L N -1.986 119.412 121.223 0.292 0.000 2.046 790 L HA -0.188 4.143 4.340 -0.015 0.000 0.208 790 L C 2.515 179.662 176.870 0.462 0.000 1.077 790 L CA 2.038 57.128 54.840 0.418 0.000 0.747 790 L CB -0.463 41.961 42.059 0.608 0.000 0.896 790 L HN 0.606 nan 8.230 nan 0.000 0.432 791 Y N 0.935 121.373 120.300 0.230 0.000 2.333 791 Y HA -0.280 4.262 4.550 -0.014 0.000 0.290 791 Y C 2.439 178.274 175.900 -0.108 0.000 1.144 791 Y CA 1.607 59.581 58.100 -0.210 0.000 1.228 791 Y CB -0.082 38.034 38.460 -0.574 0.000 0.985 791 Y HN 0.074 nan 8.280 nan 0.000 0.542 792 K N -0.082 120.356 120.400 0.063 0.000 2.280 792 K HA -0.164 4.147 4.320 -0.015 0.000 0.202 792 K C 0.396 176.977 176.600 -0.032 0.000 1.047 792 K CA 0.974 57.279 56.287 0.030 0.000 0.942 792 K CB -0.128 32.435 32.500 0.106 0.000 0.739 792 K HN 0.055 nan 8.250 nan 0.000 0.457 793 N N 0.252 118.954 118.700 0.002 0.000 2.936 793 N HA 0.135 4.866 4.740 -0.015 0.000 0.243 793 N C -2.431 173.084 175.510 0.009 0.000 1.149 793 N CA -2.251 50.807 53.050 0.014 0.000 0.914 793 N CB 1.173 39.701 38.487 0.068 0.000 1.179 793 N HN -0.187 nan 8.380 nan 0.000 0.502 794 P HA -0.164 nan 4.420 nan 0.000 0.216 794 P C 1.385 178.703 177.300 0.030 0.000 1.153 794 P CA 1.089 64.124 63.100 -0.109 0.000 0.858 794 P CB 0.404 32.012 31.700 -0.153 0.000 0.789 795 R N 0.013 120.529 120.500 0.027 0.000 2.081 795 R HA -0.146 4.185 4.340 -0.015 0.000 0.235 795 R C 1.898 178.247 176.300 0.082 0.000 1.131 795 R CA 1.395 57.523 56.100 0.046 0.000 0.960 795 R CB -0.308 30.009 30.300 0.028 0.000 0.856 795 R HN 0.096 nan 8.270 nan 0.000 0.436 796 E N -0.182 120.077 120.200 0.098 0.000 2.158 796 E HA -0.195 4.146 4.350 -0.015 0.000 0.191 796 E C 1.585 178.273 176.600 0.148 0.000 0.982 796 E CA 0.469 56.931 56.400 0.104 0.000 0.823 796 E CB -0.399 29.357 29.700 0.093 0.000 0.766 796 E HN 0.499 nan 8.360 nan 0.000 0.468 797 W N 2.296 123.607 121.300 0.019 0.000 2.333 797 W HA -0.202 4.448 4.660 -0.016 0.000 0.316 797 W C 1.621 178.161 176.519 0.035 0.000 1.215 797 W CA 2.165 59.539 57.345 0.048 0.000 1.278 797 W CB -0.436 29.032 29.460 0.015 0.000 1.154 797 W HN 0.032 nan 8.180 nan 0.000 0.486 798 T N 1.154 115.864 114.554 0.260 0.000 2.788 798 T HA -0.172 4.169 4.350 -0.015 0.000 0.268 798 T C 1.841 176.568 174.700 0.046 0.000 1.044 798 T CA 1.739 63.924 62.100 0.141 0.000 1.139 798 T CB -0.291 68.642 68.868 0.109 0.000 0.867 798 T HN 0.181 nan 8.240 nan 0.000 0.454 799 R N 0.412 120.942 120.500 0.050 0.000 2.092 799 R HA 0.112 4.443 4.340 -0.015 0.000 0.231 799 R C 2.495 178.795 176.300 -0.001 0.000 1.119 799 R CA 1.103 57.227 56.100 0.041 0.000 0.970 799 R CB -0.323 30.006 30.300 0.047 0.000 0.864 799 R HN 0.368 nan 8.270 nan 0.000 0.440 800 M N 0.515 120.078 119.600 -0.061 0.000 2.175 800 M HA -0.136 4.335 4.480 -0.015 0.000 0.264 800 M C 1.953 178.167 176.300 -0.143 0.000 1.063 800 M CA 1.368 56.591 55.300 -0.128 0.000 1.119 800 M CB 0.151 32.619 32.600 -0.220 0.000 1.377 800 M HN -0.018 nan 8.290 nan 0.000 0.415 801 V N 1.074 120.882 119.914 -0.176 0.000 2.282 801 V HA -0.335 3.776 4.120 -0.015 0.000 0.249 801 V C 2.215 178.299 176.094 -0.017 0.000 1.057 801 V CA 2.190 64.421 62.300 -0.114 0.000 1.032 801 V CB -0.648 31.133 31.823 -0.070 0.000 0.645 801 V HN 0.513 nan 8.190 nan 0.000 0.447 802 I N -0.673 119.912 120.570 0.025 0.000 2.226 802 I HA -0.256 3.905 4.170 -0.015 0.000 0.245 802 I C 2.688 178.859 176.117 0.090 0.000 1.100 802 I CA 1.580 62.944 61.300 0.107 0.000 1.374 802 I CB -0.435 37.687 38.000 0.203 0.000 1.057 802 I HN 0.206 nan 8.210 nan 0.000 0.413 803 R N 0.460 120.990 120.500 0.050 0.000 2.120 803 R HA -0.127 4.204 4.340 -0.015 0.000 0.234 803 R C 2.052 178.382 176.300 0.051 0.000 1.123 803 R CA 1.279 57.403 56.100 0.041 0.000 0.975 803 R CB -0.460 29.848 30.300 0.014 0.000 0.866 803 R HN 0.538 nan 8.270 nan 0.000 0.446 804 N N 0.632 119.355 118.700 0.039 0.000 2.109 804 N HA -0.095 4.636 4.740 -0.015 0.000 0.188 804 N C 1.965 177.530 175.510 0.091 0.000 1.034 804 N CA 1.140 54.232 53.050 0.070 0.000 0.846 804 N CB -0.060 38.441 38.487 0.023 0.000 1.010 804 N HN 0.121 nan 8.380 nan 0.000 0.425 805 I N 1.568 122.182 120.570 0.073 0.000 2.208 805 I HA -0.240 3.921 4.170 -0.015 0.000 0.245 805 I C 2.424 178.587 176.117 0.078 0.000 1.097 805 I CA 0.900 62.247 61.300 0.079 0.000 1.363 805 I CB -0.274 37.768 38.000 0.069 0.000 1.051 805 I HN 0.107 nan 8.210 nan 0.000 0.413 806 A N 0.234 123.100 122.820 0.076 0.000 2.067 806 A HA -0.143 4.168 4.320 -0.015 0.000 0.219 806 A C 2.115 179.734 177.584 0.057 0.000 1.158 806 A CA 1.933 54.004 52.037 0.057 0.000 0.661 806 A CB -0.814 18.222 19.000 0.060 0.000 0.801 806 A HN 0.525 nan 8.150 nan 0.000 0.452 807 T N -2.811 111.793 114.554 0.084 0.000 3.134 807 T HA 0.150 4.491 4.350 -0.015 0.000 0.260 807 T C 1.205 176.000 174.700 0.159 0.000 1.027 807 T CA 0.658 62.814 62.100 0.093 0.000 0.913 807 T CB -0.197 68.726 68.868 0.092 0.000 1.046 807 T HN 0.474 nan 8.240 nan 0.000 0.553 808 S N 0.256 116.066 115.700 0.184 0.000 2.603 808 S HA 0.240 4.701 4.470 -0.015 0.000 0.220 808 S C 2.190 176.928 174.600 0.231 0.000 0.967 808 S CA 0.231 58.619 58.200 0.313 0.000 0.920 808 S CB -0.642 62.708 63.200 0.250 0.000 0.773 808 S HN 0.527 nan 8.310 nan 0.000 0.529 809 G N 2.547 111.398 108.800 0.085 0.000 2.469 809 G HA2 -0.266 3.685 3.960 -0.015 0.000 0.220 809 G HA3 -0.266 3.685 3.960 -0.015 0.000 0.220 809 G C 1.334 176.186 174.900 -0.080 0.000 1.136 809 G CA 0.942 46.056 45.100 0.023 0.000 0.759 809 G HN 0.584 nan 8.290 nan 0.000 0.562 810 K N -0.195 120.033 120.400 -0.286 0.000 2.209 810 K HA -0.023 4.288 4.320 -0.015 0.000 0.204 810 K C 1.216 177.501 176.600 -0.525 0.000 1.048 810 K CA 0.699 56.671 56.287 -0.524 0.000 0.940 810 K CB -0.232 31.747 32.500 -0.869 0.000 0.729 810 K HN 0.435 nan 8.250 nan 0.000 0.451 811 F N 0.672 120.651 119.950 0.049 0.000 2.664 811 F HA 0.133 4.651 4.527 -0.016 0.000 0.301 811 F C 0.804 176.649 175.800 0.075 0.000 1.126 811 F CA -0.614 57.422 58.000 0.060 0.000 1.373 811 F CB 0.487 39.519 39.000 0.053 0.000 1.042 811 F HN -0.139 nan 8.300 nan 0.000 0.535 812 S N 0.454 116.241 115.700 0.145 0.000 2.531 812 S HA 0.045 4.506 4.470 -0.015 0.000 0.279 812 S C 1.454 176.132 174.600 0.131 0.000 1.305 812 S CA -0.164 58.114 58.200 0.130 0.000 1.058 812 S CB 0.757 64.003 63.200 0.077 0.000 0.899 812 S HN 0.361 nan 8.310 nan 0.000 0.493 813 S N 3.369 119.171 115.700 0.171 0.000 2.507 813 S HA -0.083 4.378 4.470 -0.015 0.000 0.235 813 S C 0.963 175.605 174.600 0.071 0.000 0.988 813 S CA 0.714 59.028 58.200 0.191 0.000 0.944 813 S CB -0.340 63.052 63.200 0.321 0.000 0.762 813 S HN 0.792 nan 8.310 nan 0.000 0.526 814 D N 1.948 122.379 120.400 0.052 0.000 2.117 814 D HA -0.089 4.542 4.640 -0.015 0.000 0.197 814 D C 2.102 178.403 176.300 0.000 0.000 0.987 814 D CA 0.826 54.835 54.000 0.015 0.000 0.829 814 D CB -0.328 40.481 40.800 0.014 0.000 0.961 814 D HN 0.301 nan 8.370 nan 0.000 0.460 815 R N 0.763 121.267 120.500 0.007 0.000 2.070 815 R HA -0.093 4.238 4.340 -0.015 0.000 0.233 815 R C 1.948 178.240 176.300 -0.015 0.000 1.137 815 R CA 1.502 57.593 56.100 -0.015 0.000 0.945 815 R CB -0.824 29.454 30.300 -0.036 0.000 0.845 815 R HN 0.125 nan 8.270 nan 0.000 0.430 816 T N 2.218 116.787 114.554 0.025 0.000 2.665 816 T HA -0.157 4.183 4.350 -0.015 0.000 0.268 816 T C 1.918 176.631 174.700 0.021 0.000 1.035 816 T CA 1.519 63.657 62.100 0.064 0.000 1.151 816 T CB -0.140 68.847 68.868 0.199 0.000 0.862 816 T HN 0.119 nan 8.240 nan 0.000 0.438 817 I N 1.501 122.003 120.570 -0.113 0.000 2.252 817 I HA -0.039 4.122 4.170 -0.015 0.000 0.245 817 I C 2.923 179.001 176.117 -0.066 0.000 1.102 817 I CA 0.881 62.073 61.300 -0.180 0.000 1.385 817 I CB -1.617 36.255 38.000 -0.213 0.000 1.064 817 I HN 0.202 nan 8.210 nan 0.000 0.414 818 A N 0.140 122.937 122.820 -0.038 0.000 1.972 818 A HA -0.235 4.075 4.320 -0.015 0.000 0.219 818 A C 2.246 179.792 177.584 -0.062 0.000 1.169 818 A CA 1.422 53.445 52.037 -0.025 0.000 0.635 818 A CB -0.520 18.470 19.000 -0.017 0.000 0.810 818 A HN 0.507 nan 8.150 nan 0.000 0.446 819 Q N -1.776 117.967 119.800 -0.095 0.000 2.046 819 Q HA -0.166 4.165 4.340 -0.015 0.000 0.200 819 Q C 1.947 177.781 176.000 -0.276 0.000 0.975 819 Q CA 1.662 57.367 55.803 -0.162 0.000 0.836 819 Q CB -0.334 28.298 28.738 -0.177 0.000 0.896 819 Q HN 0.806 nan 8.270 nan 0.000 0.428 820 Y N 0.678 120.703 120.300 -0.458 0.000 2.081 820 Y HA -0.329 4.212 4.550 -0.015 0.000 0.280 820 Y C 2.498 177.863 175.900 -0.892 0.000 1.163 820 Y CA 1.396 58.966 58.100 -0.883 0.000 1.135 820 Y CB -0.551 37.065 38.460 -1.406 0.000 0.970 820 Y HN 0.176 nan 8.280 nan 0.000 0.498 821 A N 0.196 122.831 122.820 -0.308 0.000 1.883 821 A HA -0.248 4.063 4.320 -0.015 0.000 0.217 821 A C 2.234 179.846 177.584 0.048 0.000 1.186 821 A CA 2.213 54.306 52.037 0.094 0.000 0.624 821 A CB -0.601 18.509 19.000 0.183 0.000 0.822 821 A HN 0.459 nan 8.150 nan 0.000 0.444 822 R N -0.850 119.632 120.500 -0.030 0.000 2.093 822 R HA -0.004 4.327 4.340 -0.015 0.000 0.224 822 R C 1.768 178.049 176.300 -0.031 0.000 1.101 822 R CA 1.431 57.523 56.100 -0.013 0.000 0.979 822 R CB -0.120 30.166 30.300 -0.023 0.000 0.877 822 R HN 0.665 nan 8.270 nan 0.000 0.441 823 E N -0.592 119.550 120.200 -0.097 0.000 2.431 823 E HA 0.112 4.453 4.350 -0.015 0.000 0.200 823 E C 1.356 177.913 176.600 -0.072 0.000 0.995 823 E CA 0.348 56.695 56.400 -0.088 0.000 0.915 823 E CB 0.605 30.227 29.700 -0.130 0.000 0.930 823 E HN 0.276 nan 8.360 nan 0.000 0.496 824 I N -1.034 119.458 120.570 -0.130 0.000 3.570 824 I HA 0.033 4.194 4.170 -0.015 0.000 0.270 824 I C 1.371 177.631 176.117 0.239 0.000 1.162 824 I CA -0.033 61.249 61.300 -0.031 0.000 1.413 824 I CB 0.219 38.050 38.000 -0.281 0.000 1.437 824 I HN 0.106 nan 8.210 nan 0.000 0.457 825 W N 1.483 122.879 121.300 0.159 0.000 2.640 825 W HA 0.328 4.979 4.660 -0.015 0.000 0.268 825 W C 1.476 178.034 176.519 0.065 0.000 1.263 825 W CA 0.833 58.254 57.345 0.126 0.000 1.344 825 W CB -1.036 28.487 29.460 0.104 0.000 1.093 825 W HN 0.306 nan 8.180 nan 0.000 0.603 826 G N 1.180 110.122 108.800 0.236 0.000 2.256 826 G HA2 -0.090 3.861 3.960 -0.015 0.000 0.272 826 G HA3 -0.090 3.861 3.960 -0.015 0.000 0.272 826 G C -0.382 174.591 174.900 0.122 0.000 1.076 826 G CA 0.198 45.377 45.100 0.132 0.000 0.882 826 G HN 0.401 nan 8.290 nan 0.000 0.497 827 V N -4.161 115.843 119.914 0.151 0.000 2.925 827 V HA 0.887 4.998 4.120 -0.015 0.000 0.311 827 V C -0.380 175.774 176.094 0.100 0.000 1.104 827 V CA -1.726 60.645 62.300 0.118 0.000 0.954 827 V CB 2.333 34.234 31.823 0.129 0.000 1.022 827 V HN 0.130 nan 8.190 nan 0.000 0.427 828 E N 4.045 124.287 120.200 0.070 0.000 2.146 828 E HA 0.492 4.833 4.350 -0.015 0.000 0.282 828 E C -2.460 174.176 176.600 0.060 0.000 0.989 828 E CA -1.755 54.679 56.400 0.057 0.000 0.799 828 E CB 1.761 31.487 29.700 0.043 0.000 1.088 828 E HN 0.727 nan 8.360 nan 0.000 0.397 829 P HA 0.048 nan 4.420 nan 0.000 0.270 829 P C -0.462 176.865 177.300 0.045 0.000 1.223 829 P CA -0.228 62.904 63.100 0.054 0.000 0.785 829 P CB 0.840 32.568 31.700 0.046 0.000 0.923 830 S N 0.917 116.644 115.700 0.046 0.000 2.619 830 S HA 0.307 4.768 4.470 -0.015 0.000 0.280 830 S C 0.477 175.098 174.600 0.035 0.000 1.150 830 S CA -0.752 57.473 58.200 0.042 0.000 0.978 830 S CB 0.922 64.153 63.200 0.052 0.000 1.041 830 S HN 0.264 nan 8.310 nan 0.000 0.485 831 R N 2.386 122.902 120.500 0.028 0.000 2.317 831 R HA 0.179 4.510 4.340 -0.015 0.000 0.208 831 R C -0.004 176.304 176.300 0.014 0.000 0.914 831 R CA 0.103 56.218 56.100 0.024 0.000 1.060 831 R CB 0.043 30.359 30.300 0.026 0.000 1.015 831 R HN 0.687 nan 8.270 nan 0.000 0.498 832 Q N 0.913 120.720 119.800 0.012 0.000 2.332 832 Q HA 0.104 4.435 4.340 -0.015 0.000 0.263 832 Q C -0.266 175.723 176.000 -0.020 0.000 0.979 832 Q CA 0.101 55.904 55.803 -0.001 0.000 0.885 832 Q CB 0.846 29.588 28.738 0.007 0.000 1.218 832 Q HN -0.186 nan 8.270 nan 0.000 0.405 833 R N 1.486 121.966 120.500 -0.033 0.000 2.590 833 R HA 0.176 4.507 4.340 -0.015 0.000 0.274 833 R C -0.470 175.783 176.300 -0.078 0.000 1.061 833 R CA 0.100 56.167 56.100 -0.055 0.000 1.081 833 R CB 0.343 30.611 30.300 -0.054 0.000 0.984 833 R HN 0.499 nan 8.270 nan 0.000 0.448 834 L N 5.319 126.475 121.223 -0.111 0.000 2.375 834 L HA 0.383 4.714 4.340 -0.015 0.000 0.271 834 L C -1.715 175.094 176.870 -0.101 0.000 1.107 834 L CA -2.110 52.638 54.840 -0.154 0.000 0.806 834 L CB 1.103 43.028 42.059 -0.224 0.000 1.146 834 L HN 0.466 nan 8.230 nan 0.000 0.447 835 P HA 0.051 nan 4.420 nan 0.000 0.265 835 P C -0.562 176.710 177.300 -0.046 0.000 1.193 835 P CA -0.192 62.876 63.100 -0.052 0.000 0.765 835 P CB 0.780 32.458 31.700 -0.037 0.000 0.823 836 A N 0.000 122.800 122.820 -0.033 0.000 2.254 836 A HA 0.000 4.311 4.320 -0.015 0.000 0.244 836 A CA 0.000 52.024 52.037 -0.021 0.000 0.836 836 A CB 0.000 18.991 19.000 -0.015 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486