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 2off_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMXF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.984 176.000 -0.026 0.000 1.003 12 Q CA 0.000 55.775 55.803 -0.047 0.000 1.022 12 Q CB 0.000 28.704 28.738 -0.056 0.000 1.108 13 I N -0.713 119.846 120.570 -0.018 0.000 2.525 13 I HA 0.550 4.713 4.170 -0.011 0.000 0.301 13 I C 0.819 176.937 176.117 0.002 0.000 0.992 13 I CA -0.282 61.015 61.300 -0.004 0.000 1.162 13 I CB 2.034 40.036 38.000 0.003 0.000 1.332 13 I HN 0.202 nan 8.210 nan 0.000 0.458 14 S N 3.248 118.955 115.700 0.011 0.000 2.356 14 S HA -0.143 4.321 4.470 -0.011 0.000 0.223 14 S C 1.750 176.361 174.600 0.019 0.000 1.032 14 S CA 1.939 60.148 58.200 0.014 0.000 1.005 14 S CB -0.500 62.713 63.200 0.022 0.000 0.867 14 S HN 0.755 nan 8.310 nan 0.000 0.449 15 V N 0.084 120.017 119.914 0.032 0.000 2.867 15 V HA 0.081 4.194 4.120 -0.011 0.000 0.260 15 V C 1.927 178.039 176.094 0.029 0.000 1.099 15 V CA 1.366 63.690 62.300 0.039 0.000 1.122 15 V CB -0.984 30.871 31.823 0.054 0.000 0.708 15 V HN 0.358 nan 8.190 nan 0.000 0.490 16 R N 1.270 121.778 120.500 0.013 0.000 2.313 16 R HA 0.407 4.740 4.340 -0.011 0.000 0.199 16 R C 1.169 177.461 176.300 -0.013 0.000 0.958 16 R CA 0.581 56.681 56.100 0.001 0.000 1.047 16 R CB -0.149 30.148 30.300 -0.006 0.000 0.955 16 R HN 0.781 nan 8.270 nan 0.000 0.481 17 G N 0.592 109.384 108.800 -0.014 0.000 2.728 17 G HA2 -0.216 3.737 3.960 -0.011 0.000 0.294 17 G HA3 -0.216 3.737 3.960 -0.011 0.000 0.294 17 G C -0.938 173.947 174.900 -0.026 0.000 1.342 17 G CA -1.081 44.002 45.100 -0.028 0.000 0.866 17 G HN -0.026 nan 8.290 nan 0.000 0.534 18 L N 0.495 121.700 121.223 -0.030 0.000 2.371 18 L HA 0.642 4.976 4.340 -0.011 0.000 0.272 18 L C 1.231 178.087 176.870 -0.025 0.000 1.124 18 L CA 0.496 55.322 54.840 -0.024 0.000 0.816 18 L CB 0.987 43.032 42.059 -0.023 0.000 1.129 18 L HN 1.551 nan 8.230 nan 0.000 0.448 19 A N 2.834 125.642 122.820 -0.019 0.000 3.047 19 A HA 0.602 4.915 4.320 -0.011 0.000 0.337 19 A C 0.640 178.219 177.584 -0.007 0.000 1.143 19 A CA -0.324 51.704 52.037 -0.015 0.000 0.905 19 A CB -0.183 18.807 19.000 -0.016 0.000 1.088 19 A HN 0.786 nan 8.150 nan 0.000 0.488 20 G N -0.352 108.444 108.800 -0.006 0.000 2.606 20 G HA2 0.373 4.326 3.960 -0.011 0.000 0.252 20 G HA3 0.373 4.326 3.960 -0.011 0.000 0.252 20 G C 1.001 175.905 174.900 0.006 0.000 1.206 20 G CA -0.046 45.054 45.100 -0.000 0.000 0.861 20 G HN 0.397 nan 8.290 nan 0.000 0.561 21 V N 0.716 120.635 119.914 0.008 0.000 2.295 21 V HA -0.160 3.953 4.120 -0.011 0.000 0.246 21 V C 2.714 178.818 176.094 0.017 0.000 1.049 21 V CA 2.407 64.714 62.300 0.012 0.000 1.024 21 V CB -0.622 31.207 31.823 0.011 0.000 0.648 21 V HN 0.814 nan 8.190 nan 0.000 0.447 22 E N 0.441 120.652 120.200 0.017 0.000 2.077 22 E HA -0.190 4.153 4.350 -0.011 0.000 0.193 22 E C 2.090 178.710 176.600 0.033 0.000 0.989 22 E CA 1.439 57.853 56.400 0.023 0.000 0.800 22 E CB -0.207 29.506 29.700 0.021 0.000 0.746 22 E HN 0.536 nan 8.360 nan 0.000 0.452 23 N N -0.670 118.048 118.700 0.029 0.000 2.106 23 N HA -0.109 4.624 4.740 -0.011 0.000 0.188 23 N C 1.705 177.239 175.510 0.041 0.000 1.029 23 N CA 1.099 54.171 53.050 0.037 0.000 0.848 23 N CB -0.310 38.185 38.487 0.013 0.000 1.007 23 N HN 0.028 nan 8.380 nan 0.000 0.423 24 V N 0.679 120.610 119.914 0.027 0.000 2.343 24 V HA -0.203 3.910 4.120 -0.011 0.000 0.247 24 V C 2.041 178.156 176.094 0.036 0.000 1.051 24 V CA 1.799 64.115 62.300 0.027 0.000 1.036 24 V CB -0.884 30.951 31.823 0.019 0.000 0.654 24 V HN 0.374 nan 8.190 nan 0.000 0.451 25 T N -0.585 113.991 114.554 0.036 0.000 2.777 25 T HA -0.211 4.132 4.350 -0.011 0.000 0.266 25 T C 1.915 176.648 174.700 0.056 0.000 1.040 25 T CA 1.741 63.864 62.100 0.038 0.000 1.141 25 T CB -0.176 68.710 68.868 0.030 0.000 0.868 25 T HN 0.481 nan 8.240 nan 0.000 0.444 26 E N 1.007 121.247 120.200 0.066 0.000 2.072 26 E HA -0.017 4.326 4.350 -0.011 0.000 0.191 26 E C 2.044 178.720 176.600 0.127 0.000 0.985 26 E CA 0.875 57.328 56.400 0.088 0.000 0.801 26 E CB -0.501 29.257 29.700 0.096 0.000 0.750 26 E HN 0.428 nan 8.360 nan 0.000 0.452 27 L N 0.113 121.417 121.223 0.136 0.000 2.046 27 L HA -0.183 4.150 4.340 -0.011 0.000 0.208 27 L C 2.445 179.423 176.870 0.179 0.000 1.077 27 L CA 1.450 56.395 54.840 0.175 0.000 0.747 27 L CB -0.326 41.809 42.059 0.126 0.000 0.896 27 L HN 0.087 nan 8.230 nan 0.000 0.432 28 K N 0.428 120.894 120.400 0.110 0.000 2.057 28 K HA -0.203 4.110 4.320 -0.011 0.000 0.207 28 K C 2.134 178.833 176.600 0.165 0.000 1.049 28 K CA 1.658 58.001 56.287 0.094 0.000 0.931 28 K CB -0.047 32.470 32.500 0.029 0.000 0.714 28 K HN 0.378 nan 8.250 nan 0.000 0.440 29 K N 0.164 120.643 120.400 0.132 0.000 2.103 29 K HA -0.033 4.281 4.320 -0.011 0.000 0.204 29 K C 1.547 178.232 176.600 0.140 0.000 1.052 29 K CA 1.208 57.568 56.287 0.121 0.000 0.945 29 K CB -0.082 32.463 32.500 0.075 0.000 0.722 29 K HN -0.016 nan 8.250 nan 0.000 0.443 30 N N 0.636 119.431 118.700 0.157 0.000 2.188 30 N HA -0.123 4.611 4.740 -0.011 0.000 0.184 30 N C 1.598 177.254 175.510 0.244 0.000 1.018 30 N CA 0.994 54.131 53.050 0.145 0.000 0.858 30 N CB -0.287 38.300 38.487 0.166 0.000 0.989 30 N HN 0.221 nan 8.380 nan 0.000 0.426 31 F N 2.409 122.459 119.950 0.167 0.000 2.134 31 F HA -0.109 4.411 4.527 -0.011 0.000 0.299 31 F C 2.004 177.908 175.800 0.174 0.000 1.097 31 F CA 1.258 59.372 58.000 0.190 0.000 1.264 31 F CB -0.083 39.004 39.000 0.144 0.000 1.001 31 F HN -0.020 nan 8.300 nan 0.000 0.479 32 N N 0.356 119.285 118.700 0.383 0.000 2.270 32 N HA -0.152 4.581 4.740 -0.011 0.000 0.181 32 N C 2.000 177.596 175.510 0.142 0.000 1.016 32 N CA 0.926 54.126 53.050 0.250 0.000 0.870 32 N CB -0.468 38.142 38.487 0.206 0.000 0.979 32 N HN 0.371 nan 8.380 nan 0.000 0.431 33 R N 0.211 120.790 120.500 0.131 0.000 2.073 33 R HA -0.087 4.246 4.340 -0.011 0.000 0.234 33 R C 1.768 178.139 176.300 0.119 0.000 1.134 33 R CA 1.436 57.633 56.100 0.162 0.000 0.952 33 R CB -0.157 30.163 30.300 0.034 0.000 0.850 33 R HN 0.371 nan 8.270 nan 0.000 0.433 34 H N -0.418 118.689 119.070 0.061 0.000 2.357 34 H HA -0.115 4.434 4.556 -0.011 0.000 0.301 34 H C 1.903 177.163 175.328 -0.113 0.000 1.082 34 H CA 1.411 57.427 56.048 -0.053 0.000 1.342 34 H CB 0.063 29.759 29.762 -0.111 0.000 1.389 34 H HN 0.112 nan 8.280 nan 0.000 0.511 35 L N 0.062 121.259 121.223 -0.043 0.000 2.042 35 L HA -0.230 4.103 4.340 -0.011 0.000 0.210 35 L C 2.245 179.090 176.870 -0.043 0.000 1.076 35 L CA 1.990 56.780 54.840 -0.083 0.000 0.749 35 L CB -0.472 41.552 42.059 -0.060 0.000 0.893 35 L HN 0.322 nan 8.230 nan 0.000 0.432 36 H N -1.938 117.055 119.070 -0.127 0.000 2.294 36 H HA -0.070 4.479 4.556 -0.011 0.000 0.306 36 H C 1.801 176.935 175.328 -0.323 0.000 1.065 36 H CA 2.255 58.136 56.048 -0.277 0.000 1.343 36 H CB -0.228 29.273 29.762 -0.435 0.000 1.396 36 H HN 0.301 nan 8.280 nan 0.000 0.506 37 F N -0.503 119.427 119.950 -0.034 0.000 2.270 37 F HA 0.002 4.522 4.527 -0.012 0.000 0.295 37 F C 2.613 178.334 175.800 -0.132 0.000 1.087 37 F CA 1.336 59.275 58.000 -0.102 0.000 1.365 37 F CB -0.397 38.581 39.000 -0.037 0.000 1.056 37 F HN 0.159 nan 8.300 nan 0.000 0.506 38 T N 0.022 114.610 114.554 0.057 0.000 2.852 38 T HA 0.042 4.386 4.350 -0.011 0.000 0.256 38 T C 1.919 176.531 174.700 -0.147 0.000 1.038 38 T CA 0.963 63.020 62.100 -0.072 0.000 1.141 38 T CB -0.293 68.495 68.868 -0.133 0.000 0.869 38 T HN 0.103 nan 8.240 nan 0.000 0.439 39 L N 1.034 122.173 121.223 -0.141 0.000 2.554 39 L HA 0.224 4.558 4.340 -0.011 0.000 0.225 39 L C 0.368 177.144 176.870 -0.156 0.000 1.104 39 L CA -0.108 54.638 54.840 -0.156 0.000 0.866 39 L CB 0.127 42.102 42.059 -0.140 0.000 1.047 39 L HN -0.032 nan 8.230 nan 0.000 0.468 40 V N 0.038 119.839 119.914 -0.188 0.000 5.767 40 V HA -0.276 3.837 4.120 -0.011 0.000 0.311 40 V C -0.050 175.929 176.094 -0.192 0.000 0.532 40 V CA 1.100 63.262 62.300 -0.231 0.000 0.659 40 V CB -2.295 29.421 31.823 -0.178 0.000 0.353 40 V HN 0.412 nan 8.190 nan 0.000 1.082 41 K N 0.727 121.024 120.400 -0.173 0.000 2.480 41 K HA 0.776 5.089 4.320 -0.011 0.000 0.258 41 K C -0.367 176.202 176.600 -0.052 0.000 0.990 41 K CA -0.334 55.885 56.287 -0.113 0.000 0.857 41 K CB 2.768 35.195 32.500 -0.121 0.000 1.384 41 K HN 0.462 nan 8.250 nan 0.000 0.446 42 D N -1.097 119.296 120.400 -0.010 0.000 2.687 42 D HA 0.327 4.960 4.640 -0.011 0.000 0.264 42 D C 0.625 176.971 176.300 0.077 0.000 1.091 42 D CA -0.652 53.380 54.000 0.054 0.000 1.123 42 D CB 0.730 41.565 40.800 0.057 0.000 1.407 42 D HN 0.086 nan 8.370 nan 0.000 0.591 43 R N -0.294 120.282 120.500 0.127 0.000 2.285 43 R HA 0.051 4.384 4.340 -0.011 0.000 0.213 43 R C 0.830 177.210 176.300 0.133 0.000 1.068 43 R CA 0.394 56.608 56.100 0.190 0.000 1.004 43 R CB -0.796 29.609 30.300 0.175 0.000 0.873 43 R HN 0.469 nan 8.270 nan 0.000 0.467 44 N N 0.213 118.958 118.700 0.075 0.000 2.300 44 N HA -0.090 4.643 4.740 -0.011 0.000 0.179 44 N C 1.669 177.201 175.510 0.036 0.000 1.016 44 N CA 1.400 54.481 53.050 0.051 0.000 0.876 44 N CB 0.218 38.724 38.487 0.031 0.000 0.979 44 N HN 0.231 nan 8.380 nan 0.000 0.432 45 V N -3.017 116.905 119.914 0.014 0.000 3.556 45 V HA 0.539 4.652 4.120 -0.011 0.000 0.287 45 V C 0.759 176.819 176.094 -0.056 0.000 1.422 45 V CA -0.439 61.852 62.300 -0.015 0.000 1.038 45 V CB -0.397 31.411 31.823 -0.024 0.000 0.850 45 V HN 0.060 nan 8.190 nan 0.000 0.437 46 A N 2.489 125.249 122.820 -0.099 0.000 2.511 46 A HA 0.527 4.840 4.320 -0.011 0.000 0.242 46 A C 0.811 178.226 177.584 -0.282 0.000 1.069 46 A CA 0.801 52.662 52.037 -0.293 0.000 0.763 46 A CB -0.255 18.384 19.000 -0.603 0.000 1.001 46 A HN 0.832 nan 8.150 nan 0.000 0.498 47 T N 0.580 114.985 114.554 -0.247 0.000 2.902 47 T HA 0.494 4.838 4.350 -0.011 0.000 0.280 47 T C -1.999 172.629 174.700 -0.121 0.000 0.992 47 T CA -1.616 60.418 62.100 -0.111 0.000 1.015 47 T CB 0.992 69.839 68.868 -0.035 0.000 1.044 47 T HN 0.301 nan 8.240 nan 0.000 0.520 48 P HA -0.074 nan 4.420 nan 0.000 0.218 48 P C 1.583 178.990 177.300 0.177 0.000 1.148 48 P CA 0.848 64.085 63.100 0.227 0.000 0.822 48 P CB 0.042 31.841 31.700 0.166 0.000 0.784 49 R N 0.102 120.656 120.500 0.091 0.000 2.092 49 R HA -0.135 4.198 4.340 -0.011 0.000 0.231 49 R C 1.621 178.077 176.300 0.261 0.000 1.119 49 R CA 1.690 57.870 56.100 0.133 0.000 0.970 49 R CB -0.703 29.630 30.300 0.056 0.000 0.864 49 R HN 0.065 nan 8.270 nan 0.000 0.440 50 D N -0.232 120.227 120.400 0.099 0.000 2.123 50 D HA -0.195 4.439 4.640 -0.011 0.000 0.196 50 D C 1.689 178.003 176.300 0.024 0.000 0.992 50 D CA 1.336 55.347 54.000 0.018 0.000 0.833 50 D CB -0.297 40.373 40.800 -0.218 0.000 0.954 50 D HN 0.312 nan 8.370 nan 0.000 0.455 51 Y N -0.045 120.352 120.300 0.162 0.000 2.200 51 Y HA -0.194 4.349 4.550 -0.011 0.000 0.290 51 Y C 2.316 178.341 175.900 0.209 0.000 1.137 51 Y CA 0.371 58.602 58.100 0.218 0.000 1.163 51 Y CB -1.128 37.508 38.460 0.294 0.000 0.988 51 Y HN 0.090 nan 8.280 nan 0.000 0.518 52 Y N -0.498 119.925 120.300 0.206 0.000 2.128 52 Y HA -0.289 4.254 4.550 -0.012 0.000 0.284 52 Y C 1.969 177.838 175.900 -0.052 0.000 1.154 52 Y CA 1.354 59.473 58.100 0.031 0.000 1.149 52 Y CB -1.145 37.223 38.460 -0.153 0.000 0.976 52 Y HN 0.057 nan 8.280 nan 0.000 0.505 53 F N 0.204 119.929 119.950 -0.376 0.000 2.171 53 F HA -0.143 4.377 4.527 -0.011 0.000 0.300 53 F C 2.645 178.268 175.800 -0.294 0.000 1.090 53 F CA 1.118 58.837 58.000 -0.468 0.000 1.293 53 F CB -0.714 38.188 39.000 -0.163 0.000 1.013 53 F HN 0.217 nan 8.300 nan 0.000 0.486 54 A N -0.078 122.687 122.820 -0.092 0.000 1.902 54 A HA -0.196 4.117 4.320 -0.011 0.000 0.217 54 A C 2.049 179.499 177.584 -0.223 0.000 1.181 54 A CA 1.596 53.445 52.037 -0.312 0.000 0.623 54 A CB -1.020 17.462 19.000 -0.864 0.000 0.818 54 A HN 0.340 nan 8.150 nan 0.000 0.443 55 L N -0.221 120.994 121.223 -0.013 0.000 2.017 55 L HA -0.049 4.285 4.340 -0.011 0.000 0.208 55 L C 2.718 179.589 176.870 0.003 0.000 1.073 55 L CA 2.203 57.169 54.840 0.210 0.000 0.745 55 L CB -0.981 41.270 42.059 0.321 0.000 0.894 55 L HN 0.358 nan 8.230 nan 0.000 0.432 56 A N -1.212 121.438 122.820 -0.284 0.000 1.883 56 A HA -0.306 4.007 4.320 -0.011 0.000 0.217 56 A C 2.175 179.456 177.584 -0.504 0.000 1.186 56 A CA 2.137 53.898 52.037 -0.460 0.000 0.624 56 A CB -1.176 17.232 19.000 -0.988 0.000 0.822 56 A HN 0.687 nan 8.150 nan 0.000 0.444 57 H N -0.912 117.873 119.070 -0.475 0.000 2.421 57 H HA -0.059 4.490 4.556 -0.011 0.000 0.298 57 H C 2.331 177.404 175.328 -0.426 0.000 1.087 57 H CA 1.900 57.583 56.048 -0.607 0.000 1.330 57 H CB -0.087 29.075 29.762 -1.000 0.000 1.388 57 H HN 0.484 nan 8.280 nan 0.000 0.526 58 T N -0.409 114.128 114.554 -0.028 0.000 2.737 58 T HA -0.127 4.216 4.350 -0.011 0.000 0.265 58 T C 2.244 177.116 174.700 0.287 0.000 1.038 58 T CA 1.323 63.571 62.100 0.246 0.000 1.144 58 T CB -0.354 68.721 68.868 0.344 0.000 0.866 58 T HN 0.101 nan 8.240 nan 0.000 0.434 59 V N 1.539 121.595 119.914 0.237 0.000 2.427 59 V HA -0.105 4.008 4.120 -0.011 0.000 0.248 59 V C 2.608 178.890 176.094 0.314 0.000 1.051 59 V CA 1.486 63.965 62.300 0.299 0.000 1.048 59 V CB -0.634 31.352 31.823 0.272 0.000 0.666 59 V HN 0.366 nan 8.190 nan 0.000 0.456 60 R N 0.252 120.887 120.500 0.225 0.000 2.105 60 R HA -0.216 4.117 4.340 -0.011 0.000 0.239 60 R C 1.973 178.379 176.300 0.177 0.000 1.135 60 R CA 2.024 58.250 56.100 0.210 0.000 0.967 60 R CB -0.420 29.850 30.300 -0.050 0.000 0.861 60 R HN 0.481 nan 8.270 nan 0.000 0.442 61 D N -0.118 120.368 120.400 0.143 0.000 2.158 61 D HA -0.188 4.445 4.640 -0.011 0.000 0.197 61 D C 1.776 178.078 176.300 0.003 0.000 0.995 61 D CA 1.236 55.281 54.000 0.075 0.000 0.846 61 D CB -0.377 40.449 40.800 0.043 0.000 0.941 61 D HN 0.491 nan 8.370 nan 0.000 0.456 62 H N -0.171 118.967 119.070 0.113 0.000 2.462 62 H HA 0.045 4.595 4.556 -0.011 0.000 0.292 62 H C 2.407 177.779 175.328 0.074 0.000 1.049 62 H CA 0.276 56.373 56.048 0.082 0.000 1.334 62 H CB 0.206 30.008 29.762 0.066 0.000 1.404 62 H HN 0.179 nan 8.280 nan 0.000 0.544 63 L N 0.822 122.163 121.223 0.197 0.000 2.044 63 L HA -0.144 4.190 4.340 -0.011 0.000 0.205 63 L C 2.757 179.729 176.870 0.170 0.000 1.075 63 L CA 0.982 55.898 54.840 0.127 0.000 0.747 63 L CB -0.177 41.940 42.059 0.097 0.000 0.903 63 L HN 0.138 nan 8.230 nan 0.000 0.435 64 V N -3.077 116.972 119.914 0.225 0.000 2.515 64 V HA -0.086 4.027 4.120 -0.011 0.000 0.250 64 V C 2.319 178.548 176.094 0.225 0.000 1.058 64 V CA 1.690 64.183 62.300 0.323 0.000 1.064 64 V CB -1.777 30.213 31.823 0.277 0.000 0.675 64 V HN 0.424 nan 8.190 nan 0.000 0.461 65 G N 0.539 109.420 108.800 0.134 0.000 2.446 65 G HA2 -0.236 3.717 3.960 -0.011 0.000 0.217 65 G HA3 -0.236 3.717 3.960 -0.011 0.000 0.217 65 G C 1.774 176.729 174.900 0.090 0.000 1.168 65 G CA 0.977 46.127 45.100 0.083 0.000 0.771 65 G HN 0.524 nan 8.290 nan 0.000 0.551 66 R N -1.479 119.083 120.500 0.103 0.000 2.115 66 R HA -0.037 4.297 4.340 -0.011 0.000 0.230 66 R C 2.225 178.611 176.300 0.145 0.000 1.111 66 R CA 0.918 57.065 56.100 0.078 0.000 0.976 66 R CB -0.319 30.008 30.300 0.045 0.000 0.870 66 R HN 0.464 nan 8.270 nan 0.000 0.445 67 W N 1.648 122.937 121.300 -0.019 0.000 2.333 67 W HA -0.114 4.539 4.660 -0.011 0.000 0.316 67 W C 1.688 178.191 176.519 -0.027 0.000 1.215 67 W CA 1.091 58.424 57.345 -0.020 0.000 1.278 67 W CB -0.663 28.803 29.460 0.010 0.000 1.154 67 W HN -0.040 nan 8.180 nan 0.000 0.486 68 I N 1.037 121.675 120.570 0.114 0.000 2.286 68 I HA -0.337 3.826 4.170 -0.011 0.000 0.248 68 I C 2.563 178.673 176.117 -0.011 0.000 1.115 68 I CA 1.977 63.259 61.300 -0.030 0.000 1.392 68 I CB -0.670 37.310 38.000 -0.034 0.000 1.065 68 I HN 0.005 nan 8.210 nan 0.000 0.418 69 R N 0.255 120.763 120.500 0.013 0.000 2.193 69 R HA 0.015 4.348 4.340 -0.011 0.000 0.213 69 R C 1.873 178.150 176.300 -0.039 0.000 1.055 69 R CA 1.243 57.339 56.100 -0.006 0.000 0.995 69 R CB -1.077 29.218 30.300 -0.009 0.000 0.893 69 R HN 0.187 nan 8.270 nan 0.000 0.459 70 T N 2.521 117.036 114.554 -0.065 0.000 2.737 70 T HA -0.168 4.175 4.350 -0.011 0.000 0.265 70 T C 1.868 176.381 174.700 -0.312 0.000 1.038 70 T CA 1.874 63.835 62.100 -0.232 0.000 1.144 70 T CB -0.188 68.571 68.868 -0.181 0.000 0.866 70 T HN 0.508 nan 8.240 nan 0.000 0.434 71 Q N 1.098 120.846 119.800 -0.088 0.000 2.170 71 Q HA -0.159 4.174 4.340 -0.011 0.000 0.203 71 Q C 2.345 178.389 176.000 0.074 0.000 0.976 71 Q CA 1.194 57.011 55.803 0.024 0.000 0.858 71 Q CB -0.361 28.389 28.738 0.021 0.000 0.907 71 Q HN 0.536 nan 8.270 nan 0.000 0.433 72 Q N 0.455 120.278 119.800 0.038 0.000 2.016 72 Q HA -0.258 4.075 4.340 -0.011 0.000 0.200 72 Q C 2.019 178.109 176.000 0.149 0.000 0.978 72 Q CA 1.681 57.543 55.803 0.097 0.000 0.833 72 Q CB -0.096 28.676 28.738 0.057 0.000 0.895 72 Q HN 0.553 nan 8.270 nan 0.000 0.427 73 H N -0.525 118.525 119.070 -0.033 0.000 2.265 73 H HA -0.231 4.318 4.556 -0.011 0.000 0.293 73 H C 1.571 176.947 175.328 0.079 0.000 1.089 73 H CA 2.601 58.625 56.048 -0.040 0.000 1.244 73 H CB -0.453 29.206 29.762 -0.172 0.000 1.355 73 H HN 0.362 nan 8.280 nan 0.000 0.485 74 Y N -1.051 119.284 120.300 0.059 0.000 2.207 74 Y HA -0.210 4.333 4.550 -0.012 0.000 0.287 74 Y C 2.546 178.468 175.900 0.037 0.000 1.156 74 Y CA 1.137 59.239 58.100 0.003 0.000 1.182 74 Y CB -1.379 37.137 38.460 0.093 0.000 0.979 74 Y HN 0.386 nan 8.280 nan 0.000 0.521 75 Y N 1.153 121.536 120.300 0.138 0.000 2.242 75 Y HA -0.168 4.375 4.550 -0.011 0.000 0.291 75 Y C 2.079 177.994 175.900 0.025 0.000 1.137 75 Y CA 1.679 59.826 58.100 0.079 0.000 1.181 75 Y CB -0.025 38.474 38.460 0.065 0.000 0.989 75 Y HN 0.041 nan 8.280 nan 0.000 0.527 76 E N 0.301 120.491 120.200 -0.017 0.000 2.051 76 E HA -0.131 4.212 4.350 -0.011 0.000 0.189 76 E C 2.055 178.567 176.600 -0.147 0.000 0.979 76 E CA 1.012 57.348 56.400 -0.107 0.000 0.803 76 E CB -0.227 29.473 29.700 0.001 0.000 0.761 76 E HN 0.490 nan 8.360 nan 0.000 0.451 77 K N 0.698 121.004 120.400 -0.157 0.000 2.155 77 K HA -0.109 4.204 4.320 -0.011 0.000 0.203 77 K C 0.069 176.602 176.600 -0.111 0.000 1.052 77 K CA 0.680 56.874 56.287 -0.155 0.000 0.948 77 K CB -0.102 32.245 32.500 -0.256 0.000 0.728 77 K HN -0.001 nan 8.250 nan 0.000 0.448 78 D N 0.649 120.990 120.400 -0.098 0.000 2.812 78 D HA -0.094 4.540 4.640 -0.011 0.000 0.237 78 D C -2.480 173.786 176.300 -0.058 0.000 1.162 78 D CA 0.106 54.056 54.000 -0.082 0.000 0.740 78 D CB -0.117 40.605 40.800 -0.131 0.000 1.000 78 D HN 0.161 nan 8.370 nan 0.000 0.416 79 P HA 0.143 nan 4.420 nan 0.000 0.279 79 P C -0.178 177.079 177.300 -0.072 0.000 1.276 79 P CA -0.657 62.405 63.100 -0.063 0.000 0.801 79 P CB 0.603 32.254 31.700 -0.082 0.000 1.127 80 K N 1.197 121.557 120.400 -0.066 0.000 2.447 80 K HA 0.028 4.341 4.320 -0.011 0.000 0.281 80 K C 0.127 176.637 176.600 -0.149 0.000 1.031 80 K CA -0.048 56.191 56.287 -0.080 0.000 1.019 80 K CB 0.238 32.708 32.500 -0.051 0.000 0.918 80 K HN 0.287 nan 8.250 nan 0.000 0.476 81 R N 4.490 124.884 120.500 -0.177 0.000 2.368 81 R HA 0.332 4.665 4.340 -0.011 0.000 0.302 81 R C -0.185 175.831 176.300 -0.473 0.000 1.002 81 R CA -0.848 55.059 56.100 -0.321 0.000 0.929 81 R CB 0.749 30.860 30.300 -0.315 0.000 1.073 81 R HN 0.491 nan 8.270 nan 0.000 0.464 82 I N 3.734 123.975 120.570 -0.549 0.000 2.321 82 I HA 0.245 4.408 4.170 -0.011 0.000 0.291 82 I C -0.390 175.409 176.117 -0.530 0.000 0.998 82 I CA -1.099 59.835 61.300 -0.611 0.000 1.227 82 I CB 0.369 37.888 38.000 -0.801 0.000 1.368 82 I HN 0.426 nan 8.210 nan 0.000 0.466 83 Y N 5.976 126.224 120.300 -0.088 0.000 2.402 83 Y HA 0.286 4.829 4.550 -0.011 0.000 0.332 83 Y C -0.290 175.697 175.900 0.145 0.000 0.960 83 Y CA -0.735 57.427 58.100 0.103 0.000 1.228 83 Y CB 1.035 39.503 38.460 0.013 0.000 1.120 83 Y HN 0.397 nan 8.280 nan 0.000 0.491 84 Y N 4.490 124.958 120.300 0.280 0.000 2.454 84 Y HA 0.452 4.996 4.550 -0.011 0.000 0.345 84 Y C -1.159 175.001 175.900 0.434 0.000 0.970 84 Y CA -0.916 57.367 58.100 0.305 0.000 1.204 84 Y CB 0.290 38.937 38.460 0.311 0.000 1.122 84 Y HN 0.518 nan 8.280 nan 0.000 0.514 85 L N 5.089 126.340 121.223 0.047 0.000 2.257 85 L HA 0.452 4.785 4.340 -0.011 0.000 0.290 85 L C -0.275 176.594 176.870 -0.002 0.000 1.044 85 L CA 0.183 55.105 54.840 0.136 0.000 0.810 85 L CB 1.160 43.271 42.059 0.087 0.000 1.193 85 L HN 0.568 nan 8.230 nan 0.000 0.425 86 S N 2.880 118.655 115.700 0.125 0.000 2.536 86 S HA 0.458 4.921 4.470 -0.011 0.000 0.271 86 S C 0.417 175.067 174.600 0.084 0.000 1.134 86 S CA -0.638 57.527 58.200 -0.057 0.000 0.897 86 S CB 1.029 63.954 63.200 -0.457 0.000 1.094 86 S HN 0.487 nan 8.310 nan 0.000 0.473 87 L N 2.530 123.848 121.223 0.158 0.000 2.554 87 L HA 0.344 4.677 4.340 -0.011 0.000 0.226 87 L C 0.175 177.214 176.870 0.281 0.000 1.137 87 L CA 1.212 56.215 54.840 0.272 0.000 0.863 87 L CB -0.750 41.484 42.059 0.292 0.000 0.985 87 L HN 0.701 nan 8.230 nan 0.000 0.451 88 E N -0.808 119.419 120.200 0.045 0.000 2.263 88 E HA 0.368 4.711 4.350 -0.011 0.000 0.268 88 E C -1.505 174.939 176.600 -0.259 0.000 0.884 88 E CA -0.346 56.069 56.400 0.025 0.000 0.766 88 E CB 1.938 31.640 29.700 0.004 0.000 1.196 88 E HN -0.144 nan 8.360 nan 0.000 0.416 89 F N 2.265 122.323 119.950 0.180 0.000 2.610 89 F HA 0.196 4.716 4.527 -0.012 0.000 0.355 89 F C -0.732 175.157 175.800 0.148 0.000 1.140 89 F CA -0.813 57.284 58.000 0.161 0.000 1.037 89 F CB 0.937 40.024 39.000 0.144 0.000 1.287 89 F HN 0.488 nan 8.300 nan 0.000 0.457 90 Y N 5.330 125.712 120.300 0.135 0.000 2.714 90 Y HA 0.234 4.777 4.550 -0.011 0.000 0.333 90 Y C 0.851 176.776 175.900 0.041 0.000 1.220 90 Y CA -1.074 57.055 58.100 0.048 0.000 1.513 90 Y CB 0.341 38.814 38.460 0.022 0.000 1.435 90 Y HN 0.565 nan 8.280 nan 0.000 0.489 91 M N 1.343 121.064 119.600 0.201 0.000 2.287 91 M HA 0.141 4.614 4.480 -0.011 0.000 0.266 91 M C 1.554 177.825 176.300 -0.047 0.000 1.079 91 M CA 1.083 56.414 55.300 0.053 0.000 1.146 91 M CB -1.096 31.516 32.600 0.020 0.000 1.374 91 M HN 0.673 nan 8.290 nan 0.000 0.435 92 G N 1.299 110.079 108.800 -0.034 0.000 2.562 92 G HA2 -0.269 3.684 3.960 -0.011 0.000 0.250 92 G HA3 -0.269 3.684 3.960 -0.011 0.000 0.250 92 G C -0.270 174.587 174.900 -0.071 0.000 1.269 92 G CA -0.320 44.728 45.100 -0.086 0.000 0.919 92 G HN 0.435 nan 8.290 nan 0.000 0.574 93 R N -0.676 119.765 120.500 -0.098 0.000 2.582 93 R HA 0.548 4.882 4.340 -0.011 0.000 0.271 93 R C 1.125 177.323 176.300 -0.170 0.000 1.078 93 R CA 0.390 56.443 56.100 -0.079 0.000 1.127 93 R CB 0.620 30.879 30.300 -0.069 0.000 1.038 93 R HN 0.528 nan 8.270 nan 0.000 0.500 94 T N 1.130 115.549 114.554 -0.226 0.000 2.978 94 T HA -0.005 4.338 4.350 -0.011 0.000 0.248 94 T C 1.415 175.789 174.700 -0.544 0.000 1.018 94 T CA -0.122 61.654 62.100 -0.541 0.000 1.026 94 T CB 0.136 68.341 68.868 -1.106 0.000 1.032 94 T HN 0.308 nan 8.240 nan 0.000 0.485 95 L N 1.876 122.988 121.223 -0.185 0.000 1.976 95 L HA 0.004 4.338 4.340 -0.011 0.000 0.209 95 L C 2.474 179.321 176.870 -0.037 0.000 1.071 95 L CA 1.983 56.849 54.840 0.042 0.000 0.746 95 L CB -0.663 41.616 42.059 0.366 0.000 0.890 95 L HN 0.170 nan 8.230 nan 0.000 0.432 96 Q N -0.750 119.024 119.800 -0.044 0.000 2.084 96 Q HA -0.250 4.083 4.340 -0.011 0.000 0.202 96 Q C 2.222 178.157 176.000 -0.109 0.000 0.978 96 Q CA 1.797 57.565 55.803 -0.059 0.000 0.844 96 Q CB -0.294 28.406 28.738 -0.064 0.000 0.898 96 Q HN 0.686 nan 8.270 nan 0.000 0.426 97 N N -0.927 117.670 118.700 -0.171 0.000 2.104 97 N HA -0.159 4.574 4.740 -0.011 0.000 0.190 97 N C 1.395 176.802 175.510 -0.172 0.000 1.024 97 N CA 1.866 54.801 53.050 -0.191 0.000 0.853 97 N CB 0.046 38.385 38.487 -0.247 0.000 1.008 97 N HN 0.223 nan 8.380 nan 0.000 0.424 98 T N 1.298 115.719 114.554 -0.222 0.000 2.777 98 T HA -0.065 4.279 4.350 -0.011 0.000 0.266 98 T C 2.077 176.718 174.700 -0.098 0.000 1.040 98 T CA 1.083 63.067 62.100 -0.193 0.000 1.141 98 T CB -0.078 68.627 68.868 -0.273 0.000 0.868 98 T HN 0.265 nan 8.240 nan 0.000 0.444 99 M N 0.582 120.142 119.600 -0.066 0.000 2.086 99 M HA -0.101 4.372 4.480 -0.011 0.000 0.261 99 M C 2.494 178.764 176.300 -0.050 0.000 1.067 99 M CA 1.306 56.580 55.300 -0.043 0.000 1.116 99 M CB -0.700 31.891 32.600 -0.016 0.000 1.348 99 M HN 0.097 nan 8.290 nan 0.000 0.407 100 V N 1.078 120.968 119.914 -0.040 0.000 2.255 100 V HA -0.296 3.817 4.120 -0.011 0.000 0.247 100 V C 1.766 177.873 176.094 0.023 0.000 1.051 100 V CA 2.073 64.375 62.300 0.002 0.000 1.018 100 V CB -0.909 30.915 31.823 0.003 0.000 0.641 100 V HN 0.486 nan 8.190 nan 0.000 0.445 101 N N -0.457 118.242 118.700 -0.001 0.000 2.459 101 N HA -0.024 4.710 4.740 -0.011 0.000 0.181 101 N C 1.027 176.447 175.510 -0.149 0.000 1.046 101 N CA 0.616 53.651 53.050 -0.025 0.000 0.904 101 N CB -0.053 38.429 38.487 -0.008 0.000 0.964 101 N HN 0.286 nan 8.380 nan 0.000 0.444 102 L N -0.240 120.910 121.223 -0.122 0.000 2.640 102 L HA 0.409 4.743 4.340 -0.011 0.000 0.230 102 L C 0.594 177.380 176.870 -0.141 0.000 1.123 102 L CA -0.308 54.456 54.840 -0.125 0.000 0.900 102 L CB -0.815 41.193 42.059 -0.085 0.000 1.146 102 L HN 0.096 nan 8.230 nan 0.000 0.484 103 A N -0.550 122.184 122.820 -0.144 0.000 2.869 103 A HA -0.217 4.096 4.320 -0.011 0.000 0.280 103 A C 1.090 178.615 177.584 -0.098 0.000 1.458 103 A CA 0.965 52.928 52.037 -0.123 0.000 0.776 103 A CB -1.920 16.992 19.000 -0.146 0.000 1.028 103 A HN 0.214 nan 8.150 nan 0.000 0.547 104 L N -0.827 120.340 121.223 -0.094 0.000 2.664 104 L HA 0.250 4.584 4.340 -0.011 0.000 0.233 104 L C 1.850 178.685 176.870 -0.059 0.000 1.113 104 L CA 1.592 56.371 54.840 -0.101 0.000 0.896 104 L CB -0.299 41.675 42.059 -0.143 0.000 1.163 104 L HN 0.648 nan 8.230 nan 0.000 0.497 105 E N -0.202 119.974 120.200 -0.041 0.000 2.051 105 E HA -0.229 4.115 4.350 -0.011 0.000 0.192 105 E C 1.630 178.218 176.600 -0.020 0.000 0.991 105 E CA 1.354 57.741 56.400 -0.022 0.000 0.799 105 E CB 0.274 29.963 29.700 -0.018 0.000 0.748 105 E HN 0.376 nan 8.360 nan 0.000 0.449 106 N N 0.214 118.899 118.700 -0.025 0.000 2.142 106 N HA -0.126 4.607 4.740 -0.011 0.000 0.186 106 N C 1.617 177.113 175.510 -0.023 0.000 1.023 106 N CA 1.297 54.331 53.050 -0.026 0.000 0.852 106 N CB -0.488 37.983 38.487 -0.027 0.000 0.998 106 N HN 0.250 nan 8.380 nan 0.000 0.424 107 A N 0.563 123.367 122.820 -0.026 0.000 1.873 107 A HA -0.194 4.119 4.320 -0.011 0.000 0.218 107 A C 2.689 180.267 177.584 -0.009 0.000 1.193 107 A CA 1.672 53.696 52.037 -0.021 0.000 0.629 107 A CB -1.148 17.831 19.000 -0.036 0.000 0.826 107 A HN 0.470 nan 8.150 nan 0.000 0.447 108 C N -0.945 118.350 119.300 -0.008 0.000 2.440 108 C HA -0.063 4.390 4.460 -0.011 0.000 0.278 108 C C 2.471 177.465 174.990 0.006 0.000 1.295 108 C CA 1.077 60.102 59.018 0.011 0.000 1.738 108 C CB -1.184 26.575 27.740 0.032 0.000 1.987 108 C HN 0.709 nan 8.230 nan 0.000 0.492 109 D N 0.744 121.146 120.400 0.003 0.000 2.097 109 D HA -0.140 4.493 4.640 -0.011 0.000 0.195 109 D C 2.130 178.442 176.300 0.020 0.000 0.989 109 D CA 1.514 55.517 54.000 0.004 0.000 0.827 109 D CB -0.249 40.542 40.800 -0.015 0.000 0.966 109 D HN 0.445 nan 8.370 nan 0.000 0.456 110 E N 0.318 120.525 120.200 0.010 0.000 2.031 110 E HA -0.066 4.277 4.350 -0.011 0.000 0.193 110 E C 1.916 178.556 176.600 0.068 0.000 0.994 110 E CA 1.696 58.122 56.400 0.044 0.000 0.800 110 E CB -0.680 29.029 29.700 0.017 0.000 0.752 110 E HN 0.210 nan 8.360 nan 0.000 0.447 111 A N -0.124 122.703 122.820 0.012 0.000 1.892 111 A HA -0.242 4.071 4.320 -0.011 0.000 0.218 111 A C 2.496 180.011 177.584 -0.115 0.000 1.188 111 A CA 3.076 55.093 52.037 -0.034 0.000 0.631 111 A CB -1.501 17.483 19.000 -0.027 0.000 0.822 111 A HN 0.534 nan 8.150 nan 0.000 0.447 112 T N -3.796 110.685 114.554 -0.123 0.000 2.857 112 T HA -0.193 4.150 4.350 -0.011 0.000 0.266 112 T C 1.845 176.470 174.700 -0.125 0.000 1.048 112 T CA 1.456 63.426 62.100 -0.217 0.000 1.139 112 T CB -0.599 68.176 68.868 -0.155 0.000 0.874 112 T HN 0.468 nan 8.240 nan 0.000 0.455 113 Y N 2.253 122.475 120.300 -0.129 0.000 2.128 113 Y HA -0.142 4.402 4.550 -0.011 0.000 0.284 113 Y C 2.625 178.465 175.900 -0.099 0.000 1.154 113 Y CA 1.682 59.724 58.100 -0.097 0.000 1.149 113 Y CB -0.562 37.860 38.460 -0.064 0.000 0.976 113 Y HN 0.241 nan 8.280 nan 0.000 0.505 114 Q N -0.930 118.795 119.800 -0.125 0.000 2.291 114 Q HA -0.124 4.209 4.340 -0.011 0.000 0.205 114 Q C 1.484 177.355 176.000 -0.215 0.000 0.970 114 Q CA 0.839 56.529 55.803 -0.189 0.000 0.876 114 Q CB -0.056 28.652 28.738 -0.051 0.000 0.935 114 Q HN 0.363 nan 8.270 nan 0.000 0.455 115 L N -1.122 119.960 121.223 -0.234 0.000 2.591 115 L HA 0.148 4.482 4.340 -0.011 0.000 0.228 115 L C 1.195 177.912 176.870 -0.256 0.000 1.133 115 L CA 1.232 55.924 54.840 -0.247 0.000 0.880 115 L CB -0.287 41.549 42.059 -0.371 0.000 1.033 115 L HN 0.314 nan 8.230 nan 0.000 0.450 116 G N -0.303 108.326 108.800 -0.285 0.000 2.132 116 G HA2 -0.239 3.715 3.960 -0.011 0.000 0.228 116 G HA3 -0.239 3.715 3.960 -0.011 0.000 0.228 116 G C 0.082 174.851 174.900 -0.218 0.000 1.000 116 G CA 0.206 45.151 45.100 -0.259 0.000 0.693 116 G HN 0.278 nan 8.290 nan 0.000 0.515 117 L N -0.064 121.028 121.223 -0.218 0.000 2.342 117 L HA 0.641 4.974 4.340 -0.011 0.000 0.271 117 L C -0.508 176.328 176.870 -0.057 0.000 1.008 117 L CA -1.180 53.556 54.840 -0.173 0.000 0.818 117 L CB 1.838 43.736 42.059 -0.269 0.000 1.296 117 L HN 0.069 nan 8.230 nan 0.000 0.427 118 D N 1.914 122.307 120.400 -0.012 0.000 2.317 118 D HA 0.189 4.822 4.640 -0.011 0.000 0.234 118 D C 0.580 176.905 176.300 0.041 0.000 1.112 118 D CA -0.211 53.811 54.000 0.036 0.000 0.840 118 D CB 1.549 42.375 40.800 0.043 0.000 1.078 118 D HN 0.499 nan 8.370 nan 0.000 0.486 119 M N 3.102 122.729 119.600 0.045 0.000 2.229 119 M HA -0.108 4.365 4.480 -0.011 0.000 0.264 119 M C 1.212 177.552 176.300 0.065 0.000 1.063 119 M CA 1.410 56.746 55.300 0.059 0.000 1.114 119 M CB 0.243 32.872 32.600 0.049 0.000 1.387 119 M HN 0.420 nan 8.290 nan 0.000 0.420 120 E N -0.234 119.995 120.200 0.049 0.000 2.150 120 E HA -0.230 4.113 4.350 -0.011 0.000 0.193 120 E C 1.783 178.411 176.600 0.046 0.000 0.985 120 E CA 1.109 57.534 56.400 0.042 0.000 0.814 120 E CB -0.128 29.593 29.700 0.036 0.000 0.752 120 E HN 0.643 nan 8.360 nan 0.000 0.466 121 E N 0.623 120.854 120.200 0.052 0.000 2.072 121 E HA -0.173 4.170 4.350 -0.011 0.000 0.190 121 E C 1.941 178.575 176.600 0.057 0.000 0.982 121 E CA 0.477 56.908 56.400 0.051 0.000 0.803 121 E CB 0.201 29.933 29.700 0.054 0.000 0.755 121 E HN 0.076 nan 8.360 nan 0.000 0.453 122 L N 1.599 122.878 121.223 0.092 0.000 2.083 122 L HA -0.154 4.179 4.340 -0.011 0.000 0.209 122 L C 2.111 179.034 176.870 0.089 0.000 1.083 122 L CA 1.655 56.581 54.840 0.144 0.000 0.752 122 L CB -0.769 41.426 42.059 0.228 0.000 0.899 122 L HN 0.148 nan 8.230 nan 0.000 0.433 123 E N -0.660 119.584 120.200 0.074 0.000 2.160 123 E HA -0.205 4.138 4.350 -0.011 0.000 0.195 123 E C 1.821 178.377 176.600 -0.073 0.000 0.991 123 E CA 0.918 57.334 56.400 0.028 0.000 0.810 123 E CB 0.006 29.727 29.700 0.035 0.000 0.742 123 E HN 0.424 nan 8.360 nan 0.000 0.466 124 E N 0.146 120.314 120.200 -0.052 0.000 2.418 124 E HA -0.099 4.244 4.350 -0.011 0.000 0.197 124 E C 1.824 178.348 176.600 -0.127 0.000 1.026 124 E CA 0.519 56.886 56.400 -0.056 0.000 0.862 124 E CB 0.081 29.784 29.700 0.004 0.000 0.799 124 E HN 0.424 nan 8.360 nan 0.000 0.518 125 I N 0.706 121.133 120.570 -0.238 0.000 2.716 125 I HA -0.086 4.077 4.170 -0.011 0.000 0.259 125 I C 1.373 177.153 176.117 -0.562 0.000 1.172 125 I CA 0.180 61.264 61.300 -0.359 0.000 1.478 125 I CB 0.097 37.886 38.000 -0.350 0.000 1.104 125 I HN -0.037 nan 8.210 nan 0.000 0.439 126 E N 2.909 122.654 120.200 -0.758 0.000 2.415 126 E HA -0.047 4.297 4.350 -0.011 0.000 0.263 126 E C -0.228 176.266 176.600 -0.177 0.000 0.995 126 E CA -0.152 55.883 56.400 -0.609 0.000 0.915 126 E CB 0.598 30.067 29.700 -0.387 0.000 0.951 126 E HN 0.106 nan 8.360 nan 0.000 0.449 127 E N 3.488 123.679 120.200 -0.015 0.000 2.354 127 E HA 0.047 4.390 4.350 -0.011 0.000 0.269 127 E C -0.773 175.925 176.600 0.164 0.000 1.036 127 E CA -0.209 56.270 56.400 0.131 0.000 0.876 127 E CB 0.676 30.543 29.700 0.279 0.000 1.009 127 E HN 0.486 nan 8.360 nan 0.000 0.416 128 D N 0.885 121.357 120.400 0.120 0.000 2.455 128 D HA 0.112 4.745 4.640 -0.011 0.000 0.241 128 D C -0.284 176.066 176.300 0.083 0.000 1.138 128 D CA 0.266 54.314 54.000 0.080 0.000 0.877 128 D CB 0.543 41.369 40.800 0.043 0.000 1.187 128 D HN 0.377 nan 8.370 nan 0.000 0.451 129 A N 2.705 125.525 122.820 0.000 0.000 2.805 129 A HA 0.452 4.765 4.320 -0.011 0.000 0.301 129 A C 1.059 178.495 177.584 -0.247 0.000 1.557 129 A CA -0.376 51.463 52.037 -0.329 0.000 1.254 129 A CB -0.306 18.564 19.000 -0.217 0.000 1.114 129 A HN 0.539 nan 8.150 nan 0.000 0.553 130 G N 1.980 110.601 108.800 -0.298 0.000 3.741 130 G HA2 0.416 4.369 3.960 -0.011 0.000 0.263 130 G HA3 0.416 4.369 3.960 -0.011 0.000 0.263 130 G C 0.296 175.020 174.900 -0.292 0.000 1.175 130 G CA -0.305 44.724 45.100 -0.119 0.000 1.642 130 G HN 0.685 nan 8.290 nan 0.000 0.644 131 L N 1.362 122.446 121.223 -0.230 0.000 2.939 131 L HA 0.394 4.727 4.340 -0.011 0.000 0.239 131 L C 1.024 177.827 176.870 -0.111 0.000 1.325 131 L CA -0.232 54.546 54.840 -0.103 0.000 1.170 131 L CB -0.304 41.803 42.059 0.079 0.000 1.538 131 L HN 0.326 nan 8.230 nan 0.000 0.452 132 G N -1.288 107.229 108.800 -0.471 0.000 2.660 132 G HA2 0.201 4.154 3.960 -0.011 0.000 0.290 132 G HA3 0.201 4.154 3.960 -0.011 0.000 0.290 132 G C -0.176 174.219 174.900 -0.842 0.000 1.432 132 G CA -0.440 44.330 45.100 -0.550 0.000 0.807 132 G HN -0.091 nan 8.290 nan 0.000 0.485 133 N N -0.868 117.571 118.700 -0.435 0.000 2.436 133 N HA 0.215 4.948 4.740 -0.011 0.000 0.178 133 N C 1.148 176.624 175.510 -0.056 0.000 1.026 133 N CA 1.312 54.217 53.050 -0.242 0.000 0.880 133 N CB 1.195 39.661 38.487 -0.035 0.000 1.061 133 N HN 0.812 nan 8.380 nan 0.000 0.434 134 G N -0.764 108.096 108.800 0.100 0.000 2.947 134 G HA2 0.222 4.175 3.960 -0.011 0.000 0.115 134 G HA3 0.222 4.175 3.960 -0.011 0.000 0.115 134 G C 0.714 175.758 174.900 0.240 0.000 1.214 134 G CA 0.268 45.535 45.100 0.278 0.000 1.324 134 G HN 0.168 nan 8.290 nan 0.000 0.645 135 G N 0.392 109.277 108.800 0.142 0.000 2.446 135 G HA2 -0.072 3.881 3.960 -0.011 0.000 0.217 135 G HA3 -0.072 3.881 3.960 -0.011 0.000 0.217 135 G C 1.893 176.808 174.900 0.025 0.000 1.168 135 G CA 1.477 46.623 45.100 0.077 0.000 0.771 135 G HN 0.772 nan 8.290 nan 0.000 0.551 136 L N 0.634 121.840 121.223 -0.029 0.000 2.046 136 L HA 0.068 4.401 4.340 -0.011 0.000 0.208 136 L C 2.783 179.592 176.870 -0.102 0.000 1.077 136 L CA 2.069 56.793 54.840 -0.193 0.000 0.747 136 L CB -0.507 41.382 42.059 -0.283 0.000 0.896 136 L HN 0.233 nan 8.230 nan 0.000 0.432 137 G N -0.879 107.923 108.800 0.003 0.000 2.421 137 G HA2 -0.262 3.692 3.960 -0.011 0.000 0.217 137 G HA3 -0.262 3.692 3.960 -0.011 0.000 0.217 137 G C 1.632 176.625 174.900 0.155 0.000 1.143 137 G CA 0.573 45.701 45.100 0.047 0.000 0.784 137 G HN 0.287 nan 8.290 nan 0.000 0.541 138 R N 0.008 120.632 120.500 0.207 0.000 2.115 138 R HA 0.158 4.492 4.340 -0.011 0.000 0.226 138 R C 2.273 178.601 176.300 0.047 0.000 1.100 138 R CA 0.704 56.896 56.100 0.154 0.000 0.980 138 R CB -0.831 29.521 30.300 0.087 0.000 0.875 138 R HN 0.320 nan 8.270 nan 0.000 0.445 139 L N 0.201 121.386 121.223 -0.063 0.000 2.046 139 L HA -0.023 4.310 4.340 -0.011 0.000 0.208 139 L C 2.091 178.699 176.870 -0.435 0.000 1.077 139 L CA 2.193 56.853 54.840 -0.299 0.000 0.747 139 L CB -0.841 41.006 42.059 -0.353 0.000 0.896 139 L HN 0.252 nan 8.230 nan 0.000 0.432 140 A N -0.590 122.118 122.820 -0.187 0.000 1.940 140 A HA -0.179 4.134 4.320 -0.011 0.000 0.219 140 A C 2.433 180.116 177.584 0.166 0.000 1.176 140 A CA 1.963 53.989 52.037 -0.019 0.000 0.631 140 A CB -1.153 17.834 19.000 -0.021 0.000 0.814 140 A HN 0.586 nan 8.150 nan 0.000 0.446 141 A N -1.178 121.757 122.820 0.191 0.000 1.898 141 A HA -0.130 4.183 4.320 -0.011 0.000 0.216 141 A C 2.305 179.971 177.584 0.138 0.000 1.181 141 A CA 1.571 53.728 52.037 0.200 0.000 0.620 141 A CB -1.236 17.869 19.000 0.175 0.000 0.819 141 A HN 0.594 nan 8.150 nan 0.000 0.442 142 C N -1.377 118.006 119.300 0.139 0.000 2.425 142 C HA -0.073 4.380 4.460 -0.011 0.000 0.277 142 C C 2.425 177.587 174.990 0.288 0.000 1.280 142 C CA 0.638 59.775 59.018 0.199 0.000 1.744 142 C CB -1.619 26.260 27.740 0.232 0.000 1.989 142 C HN 0.605 nan 8.230 nan 0.000 0.491 143 F N 1.220 121.162 119.950 -0.013 0.000 2.102 143 F HA -0.086 4.434 4.527 -0.012 0.000 0.298 143 F C 2.246 177.990 175.800 -0.095 0.000 1.105 143 F CA 1.064 58.998 58.000 -0.110 0.000 1.239 143 F CB -1.422 37.371 39.000 -0.344 0.000 0.991 143 F HN 0.194 nan 8.300 nan 0.000 0.474 144 L N -0.414 120.888 121.223 0.131 0.000 2.042 144 L HA -0.255 4.078 4.340 -0.011 0.000 0.210 144 L C 2.138 179.017 176.870 0.015 0.000 1.076 144 L CA 1.937 56.804 54.840 0.046 0.000 0.749 144 L CB -0.789 41.292 42.059 0.037 0.000 0.893 144 L HN 0.112 nan 8.230 nan 0.000 0.432 145 D N -0.499 119.921 120.400 0.033 0.000 2.097 145 D HA -0.169 4.464 4.640 -0.011 0.000 0.195 145 D C 2.208 178.523 176.300 0.024 0.000 0.989 145 D CA 1.468 55.474 54.000 0.010 0.000 0.827 145 D CB 0.214 41.018 40.800 0.006 0.000 0.966 145 D HN 0.089 nan 8.370 nan 0.000 0.456 146 S N -0.713 115.018 115.700 0.051 0.000 2.383 146 S HA -0.082 4.381 4.470 -0.011 0.000 0.227 146 S C 1.978 176.588 174.600 0.017 0.000 1.026 146 S CA 0.741 58.963 58.200 0.037 0.000 0.981 146 S CB -0.190 63.037 63.200 0.045 0.000 0.818 146 S HN 0.337 nan 8.310 nan 0.000 0.472 147 M N 1.006 120.608 119.600 0.004 0.000 2.159 147 M HA -0.091 4.382 4.480 -0.011 0.000 0.263 147 M C 2.425 178.727 176.300 0.003 0.000 1.063 147 M CA 1.427 56.727 55.300 -0.002 0.000 1.110 147 M CB -0.489 32.090 32.600 -0.036 0.000 1.374 147 M HN 0.397 nan 8.290 nan 0.000 0.411 148 A N -0.326 122.494 122.820 -0.001 0.000 1.897 148 A HA -0.088 4.225 4.320 -0.011 0.000 0.215 148 A C 2.153 179.753 177.584 0.026 0.000 1.181 148 A CA 1.782 53.824 52.037 0.008 0.000 0.620 148 A CB -0.978 18.010 19.000 -0.021 0.000 0.821 148 A HN 0.403 nan 8.150 nan 0.000 0.443 149 T N 0.336 114.909 114.554 0.032 0.000 2.881 149 T HA -0.014 4.330 4.350 -0.011 0.000 0.270 149 T C 1.297 176.027 174.700 0.049 0.000 1.068 149 T CA 1.117 63.249 62.100 0.054 0.000 1.131 149 T CB -0.257 68.650 68.868 0.065 0.000 0.871 149 T HN 0.328 nan 8.240 nan 0.000 0.479 150 L N 0.399 121.648 121.223 0.043 0.000 2.653 150 L HA 0.314 4.647 4.340 -0.011 0.000 0.231 150 L C 1.600 178.504 176.870 0.056 0.000 1.153 150 L CA -0.125 54.743 54.840 0.046 0.000 0.933 150 L CB -0.285 41.800 42.059 0.043 0.000 1.175 150 L HN 0.392 nan 8.230 nan 0.000 0.473 151 G N 1.120 109.959 108.800 0.065 0.000 2.249 151 G HA2 -0.289 3.664 3.960 -0.011 0.000 0.273 151 G HA3 -0.289 3.664 3.960 -0.011 0.000 0.273 151 G C 0.121 175.086 174.900 0.109 0.000 1.036 151 G CA 0.077 45.238 45.100 0.103 0.000 0.824 151 G HN 0.286 nan 8.290 nan 0.000 0.504 152 L N -0.138 121.114 121.223 0.048 0.000 2.350 152 L HA 0.600 4.934 4.340 -0.011 0.000 0.275 152 L C 1.209 177.970 176.870 -0.182 0.000 1.099 152 L CA -0.347 54.471 54.840 -0.037 0.000 0.808 152 L CB 1.576 43.619 42.059 -0.027 0.000 1.149 152 L HN 0.255 nan 8.230 nan 0.000 0.442 153 A N 3.162 125.726 122.820 -0.426 0.000 2.981 153 A HA 0.561 4.874 4.320 -0.011 0.000 0.280 153 A C 0.287 177.511 177.584 -0.599 0.000 1.743 153 A CA -0.145 51.340 52.037 -0.920 0.000 1.430 153 A CB -0.650 17.672 19.000 -1.130 0.000 1.085 153 A HN 0.700 nan 8.150 nan 0.000 0.597 154 A N 1.557 124.078 122.820 -0.497 0.000 2.355 154 A HA 0.794 5.108 4.320 -0.011 0.000 0.324 154 A C -1.034 176.307 177.584 -0.404 0.000 1.117 154 A CA -0.477 51.338 52.037 -0.369 0.000 0.785 154 A CB 0.816 19.664 19.000 -0.253 0.000 1.254 154 A HN 0.619 nan 8.150 nan 0.000 0.453 155 Y N 0.389 120.625 120.300 -0.106 0.000 2.361 155 Y HA 0.533 5.076 4.550 -0.011 0.000 0.337 155 Y C 0.903 176.912 175.900 0.182 0.000 0.965 155 Y CA -0.581 57.546 58.100 0.045 0.000 1.091 155 Y CB 2.347 40.927 38.460 0.201 0.000 1.182 155 Y HN 0.832 nan 8.280 nan 0.000 0.450 156 G N 2.253 111.161 108.800 0.180 0.000 2.353 156 G HA2 0.396 4.349 3.960 -0.011 0.000 0.284 156 G HA3 0.396 4.349 3.960 -0.011 0.000 0.284 156 G C -1.665 173.292 174.900 0.096 0.000 1.172 156 G CA -0.160 45.061 45.100 0.200 0.000 0.854 156 G HN 0.551 nan 8.290 nan 0.000 0.485 157 Y N 1.179 121.725 120.300 0.410 0.000 2.350 157 Y HA 0.607 5.150 4.550 -0.011 0.000 0.338 157 Y C 0.772 177.008 175.900 0.561 0.000 0.961 157 Y CA 0.229 58.545 58.100 0.360 0.000 1.100 157 Y CB 2.620 41.299 38.460 0.366 0.000 1.179 157 Y HN 0.865 nan 8.280 nan 0.000 0.454 158 G N 2.473 111.630 108.800 0.594 0.000 2.772 158 G HA2 0.602 4.555 3.960 -0.011 0.000 0.284 158 G HA3 0.602 4.555 3.960 -0.011 0.000 0.284 158 G C -1.708 173.446 174.900 0.424 0.000 1.217 158 G CA -0.797 44.666 45.100 0.605 0.000 0.831 158 G HN 0.419 nan 8.290 nan 0.000 0.523 159 I N 0.555 121.260 120.570 0.224 0.000 2.474 159 I HA 0.433 4.596 4.170 -0.011 0.000 0.294 159 I C 0.156 176.187 176.117 -0.145 0.000 1.005 159 I CA -0.732 60.586 61.300 0.029 0.000 1.113 159 I CB 2.327 40.144 38.000 -0.306 0.000 1.289 159 I HN 0.350 nan 8.210 nan 0.000 0.436 160 R N 6.033 126.550 120.500 0.028 0.000 2.608 160 R HA 0.233 4.566 4.340 -0.011 0.000 0.277 160 R C -1.265 175.090 176.300 0.092 0.000 1.341 160 R CA -0.409 55.742 56.100 0.085 0.000 1.199 160 R CB -0.039 30.295 30.300 0.056 0.000 1.156 160 R HN 0.396 nan 8.270 nan 0.000 0.558 161 Y N 1.499 121.961 120.300 0.271 0.000 2.425 161 Y HA -0.068 4.475 4.550 -0.012 0.000 0.331 161 Y C 1.580 177.671 175.900 0.318 0.000 1.157 161 Y CA 0.012 58.259 58.100 0.246 0.000 1.372 161 Y CB 0.834 39.412 38.460 0.197 0.000 1.253 161 Y HN 0.590 nan 8.280 nan 0.000 0.536 162 E N 2.111 122.504 120.200 0.321 0.000 2.107 162 E HA -0.059 4.284 4.350 -0.011 0.000 0.191 162 E C -0.746 175.759 176.600 -0.159 0.000 0.982 162 E CA 0.718 57.117 56.400 -0.001 0.000 0.809 162 E CB 0.176 29.778 29.700 -0.163 0.000 0.756 162 E HN 0.505 nan 8.360 nan 0.000 0.459 163 F N -0.229 119.935 119.950 0.357 0.000 2.477 163 F HA 0.447 4.967 4.527 -0.011 0.000 0.335 163 F C 0.776 176.664 175.800 0.146 0.000 1.130 163 F CA -0.843 57.323 58.000 0.277 0.000 0.948 163 F CB 1.848 40.944 39.000 0.161 0.000 1.154 163 F HN -0.094 nan 8.300 nan 0.000 0.439 164 G N 1.857 110.768 108.800 0.184 0.000 2.582 164 G HA2 0.332 4.285 3.960 -0.011 0.000 0.232 164 G HA3 0.332 4.285 3.960 -0.011 0.000 0.232 164 G C -0.472 174.400 174.900 -0.046 0.000 1.458 164 G CA -0.683 44.378 45.100 -0.065 0.000 1.062 164 G HN 0.555 nan 8.290 nan 0.000 0.566 165 I N 0.928 121.399 120.570 -0.165 0.000 2.752 165 I HA 0.183 4.346 4.170 -0.011 0.000 0.289 165 I C 0.502 176.542 176.117 -0.129 0.000 1.197 165 I CA -0.909 60.270 61.300 -0.201 0.000 1.432 165 I CB -0.237 37.545 38.000 -0.362 0.000 1.359 165 I HN 0.315 nan 8.210 nan 0.000 0.571 166 F N 6.252 126.212 119.950 0.017 0.000 2.553 166 F HA 0.273 4.794 4.527 -0.011 0.000 0.356 166 F C 0.563 176.411 175.800 0.080 0.000 1.142 166 F CA -0.720 57.312 58.000 0.052 0.000 1.322 166 F CB -0.344 38.672 39.000 0.027 0.000 1.126 166 F HN 0.410 nan 8.300 nan 0.000 0.599 167 N N 2.774 121.623 118.700 0.249 0.000 2.475 167 N HA 0.004 4.737 4.740 -0.011 0.000 0.267 167 N C -0.642 175.081 175.510 0.356 0.000 1.169 167 N CA -0.099 53.079 53.050 0.213 0.000 0.947 167 N CB 0.942 39.550 38.487 0.202 0.000 1.061 167 N HN 0.764 nan 8.380 nan 0.000 0.466 168 Q N 2.525 122.501 119.800 0.294 0.000 2.278 168 Q HA 0.177 4.510 4.340 -0.011 0.000 0.257 168 Q C -0.971 175.188 176.000 0.265 0.000 0.928 168 Q CA -0.410 55.613 55.803 0.368 0.000 0.932 168 Q CB 0.720 29.670 28.738 0.354 0.000 1.221 168 Q HN 0.231 nan 8.270 nan 0.000 0.434 169 K N 4.224 124.762 120.400 0.230 0.000 2.259 169 K HA 0.473 4.786 4.320 -0.011 0.000 0.252 169 K C -0.683 176.012 176.600 0.159 0.000 0.936 169 K CA -0.885 55.513 56.287 0.185 0.000 0.810 169 K CB 1.644 34.235 32.500 0.152 0.000 1.143 169 K HN 0.635 nan 8.250 nan 0.000 0.427 170 I N 1.988 122.642 120.570 0.140 0.000 2.307 170 I HA 0.164 4.327 4.170 -0.011 0.000 0.289 170 I C -0.120 176.049 176.117 0.087 0.000 1.021 170 I CA -0.677 60.675 61.300 0.087 0.000 1.224 170 I CB 0.903 38.933 38.000 0.050 0.000 1.376 170 I HN 0.461 nan 8.210 nan 0.000 0.470 171 C N 5.188 124.552 119.300 0.107 0.000 2.322 171 C HA 0.629 5.083 4.460 -0.011 0.000 0.324 171 C C 1.175 176.267 174.990 0.169 0.000 1.249 171 C CA 0.281 59.370 59.018 0.119 0.000 1.453 171 C CB -0.087 27.722 27.740 0.115 0.000 2.145 171 C HN 1.098 nan 8.230 nan 0.000 0.466 172 G N 3.983 112.853 108.800 0.116 0.000 2.225 172 G HA2 0.068 4.021 3.960 -0.011 0.000 0.267 172 G HA3 0.068 4.021 3.960 -0.011 0.000 0.267 172 G C 1.222 176.103 174.900 -0.032 0.000 1.024 172 G CA 1.198 46.370 45.100 0.119 0.000 0.784 172 G HN 2.577 nan 8.290 nan 0.000 0.507 173 G N -2.784 105.949 108.800 -0.112 0.000 2.199 173 G HA2 -0.294 3.659 3.960 -0.011 0.000 0.254 173 G HA3 -0.294 3.659 3.960 -0.011 0.000 0.254 173 G C 0.381 175.018 174.900 -0.439 0.000 0.982 173 G CA 0.588 45.495 45.100 -0.321 0.000 0.632 173 G HN 1.189 nan 8.290 nan 0.000 0.529 174 W N 1.297 122.545 121.300 -0.087 0.000 2.438 174 W HA 0.644 5.297 4.660 -0.011 0.000 0.324 174 W C 0.732 177.197 176.519 -0.090 0.000 1.119 174 W CA -0.815 56.474 57.345 -0.094 0.000 1.221 174 W CB 0.774 30.197 29.460 -0.062 0.000 1.253 174 W HN 0.278 nan 8.180 nan 0.000 0.555 175 Q N 3.443 123.328 119.800 0.141 0.000 2.311 175 Q HA 0.141 4.474 4.340 -0.011 0.000 0.272 175 Q C -0.522 175.541 176.000 0.105 0.000 1.012 175 Q CA 0.316 56.180 55.803 0.103 0.000 0.891 175 Q CB 0.492 29.282 28.738 0.086 0.000 1.201 175 Q HN 0.328 nan 8.270 nan 0.000 0.391 176 M N 3.213 122.871 119.600 0.097 0.000 2.465 176 M HA 0.383 4.856 4.480 -0.011 0.000 0.316 176 M C -1.106 175.221 176.300 0.044 0.000 1.121 176 M CA -0.686 54.642 55.300 0.045 0.000 0.934 176 M CB 1.851 34.487 32.600 0.060 0.000 1.692 176 M HN 0.601 nan 8.290 nan 0.000 0.444 177 E N 1.733 121.894 120.200 -0.065 0.000 2.191 177 E HA 0.461 4.804 4.350 -0.011 0.000 0.278 177 E C -0.738 175.871 176.600 0.015 0.000 0.972 177 E CA -0.563 55.781 56.400 -0.095 0.000 0.804 177 E CB 1.572 30.968 29.700 -0.506 0.000 1.110 177 E HN 0.499 nan 8.360 nan 0.000 0.394 178 E N 0.916 121.198 120.200 0.136 0.000 2.343 178 E HA 0.724 5.067 4.350 -0.011 0.000 0.270 178 E C -0.999 175.692 176.600 0.152 0.000 0.895 178 E CA -1.585 54.879 56.400 0.107 0.000 0.767 178 E CB 1.454 31.217 29.700 0.104 0.000 1.248 178 E HN 0.441 nan 8.360 nan 0.000 0.440 179 A N 1.808 124.677 122.820 0.081 0.000 2.546 179 A HA 0.035 4.348 4.320 -0.011 0.000 0.243 179 A C -0.136 177.620 177.584 0.287 0.000 1.063 179 A CA 0.207 52.300 52.037 0.093 0.000 0.757 179 A CB -0.107 18.816 19.000 -0.128 0.000 0.991 179 A HN 0.684 nan 8.150 nan 0.000 0.503 180 D N 1.776 122.418 120.400 0.403 0.000 2.494 180 D HA 0.203 4.836 4.640 -0.011 0.000 0.217 180 D C -0.548 176.078 176.300 0.544 0.000 1.153 180 D CA -0.189 54.050 54.000 0.397 0.000 0.954 180 D CB 0.375 41.342 40.800 0.278 0.000 1.034 180 D HN 0.367 nan 8.370 nan 0.000 0.518 181 D N 3.952 124.627 120.400 0.458 0.000 2.713 181 D HA -0.008 4.625 4.640 -0.011 0.000 0.229 181 D C 1.087 177.501 176.300 0.190 0.000 1.136 181 D CA -0.599 53.566 54.000 0.274 0.000 1.010 181 D CB -0.128 40.840 40.800 0.279 0.000 1.084 181 D HN 0.561 nan 8.370 nan 0.000 0.495 182 W N 2.214 123.530 121.300 0.027 0.000 2.595 182 W HA -0.018 4.635 4.660 -0.011 0.000 0.257 182 W C 0.170 176.735 176.519 0.078 0.000 1.267 182 W CA 0.072 57.465 57.345 0.080 0.000 1.300 182 W CB -0.733 28.780 29.460 0.088 0.000 1.120 182 W HN 0.178 nan 8.180 nan 0.000 0.618 183 L N 0.969 121.830 121.223 -0.603 0.000 2.607 183 L HA 0.193 4.526 4.340 -0.011 0.000 0.228 183 L C 2.726 179.420 176.870 -0.294 0.000 1.123 183 L CA -0.045 54.418 54.840 -0.627 0.000 0.890 183 L CB -0.639 40.920 42.059 -0.833 0.000 1.103 183 L HN -0.114 nan 8.230 nan 0.000 0.468 184 R N 0.622 120.995 120.500 -0.212 0.000 2.112 184 R HA -0.244 4.089 4.340 -0.011 0.000 0.242 184 R C 1.556 177.660 176.300 -0.325 0.000 1.137 184 R CA 2.264 58.185 56.100 -0.298 0.000 0.944 184 R CB -0.241 29.811 30.300 -0.414 0.000 0.857 184 R HN 0.305 nan 8.270 nan 0.000 0.435 185 Y N -0.709 119.611 120.300 0.035 0.000 2.466 185 Y HA 0.321 4.864 4.550 -0.011 0.000 0.272 185 Y C 0.890 176.813 175.900 0.037 0.000 1.169 185 Y CA 0.451 58.604 58.100 0.089 0.000 1.285 185 Y CB 0.758 39.388 38.460 0.283 0.000 1.078 185 Y HN 0.439 nan 8.280 nan 0.000 0.523 186 G N 1.167 110.022 108.800 0.091 0.000 2.663 186 G HA2 -0.203 3.750 3.960 -0.011 0.000 0.686 186 G HA3 -0.203 3.750 3.960 -0.011 0.000 0.686 186 G C -1.367 173.593 174.900 0.100 0.000 1.246 186 G CA -0.892 44.212 45.100 0.007 0.000 0.795 186 G HN 0.214 nan 8.290 nan 0.000 0.627 187 N N 1.394 120.094 118.700 -0.001 0.000 2.518 187 N HA 0.576 5.309 4.740 -0.011 0.000 0.254 187 N C -0.658 174.845 175.510 -0.011 0.000 0.979 187 N CA -2.052 51.025 53.050 0.044 0.000 0.930 187 N CB 2.027 40.485 38.487 -0.049 0.000 1.152 187 N HN 0.246 nan 8.380 nan 0.000 0.505 188 P HA 0.025 nan 4.420 nan 0.000 0.229 188 P C 0.647 177.667 177.300 -0.467 0.000 1.160 188 P CA 0.706 63.517 63.100 -0.482 0.000 0.777 188 P CB 0.116 31.252 31.700 -0.940 0.000 0.814 189 W N 1.940 123.255 121.300 0.025 0.000 2.576 189 W HA 0.047 4.700 4.660 -0.011 0.000 0.270 189 W C 1.278 177.844 176.519 0.079 0.000 1.255 189 W CA -0.322 57.036 57.345 0.021 0.000 1.314 189 W CB -0.276 29.196 29.460 0.020 0.000 1.101 189 W HN 0.015 nan 8.180 nan 0.000 0.595 190 E N 1.715 122.094 120.200 0.297 0.000 2.319 190 E HA 0.350 4.694 4.350 -0.011 0.000 0.268 190 E C -0.667 176.105 176.600 0.287 0.000 1.050 190 E CA -0.758 55.828 56.400 0.309 0.000 0.878 190 E CB 1.384 31.271 29.700 0.311 0.000 1.066 190 E HN -0.294 nan 8.360 nan 0.000 0.406 191 K N 1.536 122.117 120.400 0.302 0.000 2.502 191 K HA 0.441 4.754 4.320 -0.011 0.000 0.254 191 K C -1.246 175.372 176.600 0.030 0.000 0.947 191 K CA -0.464 55.927 56.287 0.172 0.000 0.834 191 K CB 1.717 34.314 32.500 0.161 0.000 1.112 191 K HN 0.669 nan 8.250 nan 0.000 0.427 192 A N 4.269 127.008 122.820 -0.135 0.000 2.477 192 A HA 0.363 4.676 4.320 -0.011 0.000 0.246 192 A C -0.346 177.067 177.584 -0.285 0.000 1.078 192 A CA -0.166 51.554 52.037 -0.528 0.000 0.770 192 A CB 0.231 18.884 19.000 -0.578 0.000 1.011 192 A HN 0.703 nan 8.150 nan 0.000 0.494 193 R N 3.365 123.701 120.500 -0.273 0.000 2.748 193 R HA 0.202 4.535 4.340 -0.011 0.000 0.283 193 R C -2.470 173.774 176.300 -0.093 0.000 1.507 193 R CA -1.443 54.591 56.100 -0.108 0.000 1.666 193 R CB 0.920 31.259 30.300 0.065 0.000 1.237 193 R HN 0.579 nan 8.270 nan 0.000 0.633 194 P HA -0.150 nan 4.420 nan 0.000 0.230 194 P C 0.909 178.153 177.300 -0.094 0.000 1.158 194 P CA 0.935 63.986 63.100 -0.082 0.000 0.769 194 P CB 0.377 32.027 31.700 -0.084 0.000 0.807 195 E N -0.259 119.809 120.200 -0.219 0.000 2.418 195 E HA -0.119 4.224 4.350 -0.011 0.000 0.197 195 E C 0.388 176.735 176.600 -0.421 0.000 1.026 195 E CA 0.738 56.919 56.400 -0.364 0.000 0.862 195 E CB -0.703 28.672 29.700 -0.541 0.000 0.799 195 E HN 0.253 nan 8.360 nan 0.000 0.518 196 F N 1.855 121.826 119.950 0.034 0.000 2.750 196 F HA 0.264 4.785 4.527 -0.011 0.000 0.297 196 F C 0.253 176.167 175.800 0.190 0.000 1.138 196 F CA -0.500 57.560 58.000 0.100 0.000 1.346 196 F CB 0.326 39.382 39.000 0.093 0.000 0.965 196 F HN -0.290 nan 8.300 nan 0.000 0.514 197 T N 2.958 117.658 114.554 0.244 0.000 2.888 197 T HA 0.337 4.680 4.350 -0.011 0.000 0.301 197 T C -0.263 174.543 174.700 0.176 0.000 1.001 197 T CA 0.280 62.518 62.100 0.230 0.000 1.147 197 T CB 0.669 69.617 68.868 0.134 0.000 0.931 197 T HN -0.156 nan 8.240 nan 0.000 0.541 198 L N 6.137 127.439 121.223 0.133 0.000 2.381 198 L HA 0.550 4.883 4.340 -0.011 0.000 0.268 198 L C -2.247 174.590 176.870 -0.055 0.000 0.997 198 L CA -2.590 52.257 54.840 0.012 0.000 0.818 198 L CB 1.968 43.969 42.059 -0.096 0.000 1.310 198 L HN 0.372 nan 8.230 nan 0.000 0.416 199 P HA 0.351 nan 4.420 nan 0.000 0.284 199 P C -1.117 176.071 177.300 -0.187 0.000 1.253 199 P CA -0.333 62.694 63.100 -0.122 0.000 0.800 199 P CB 1.565 33.187 31.700 -0.131 0.000 0.961 200 V N 3.929 123.717 119.914 -0.210 0.000 2.604 200 V HA 0.334 4.448 4.120 -0.011 0.000 0.305 200 V C 0.175 176.092 176.094 -0.295 0.000 1.043 200 V CA -0.616 61.558 62.300 -0.210 0.000 0.888 200 V CB 1.466 33.200 31.823 -0.148 0.000 0.995 200 V HN 0.601 nan 8.190 nan 0.000 0.429 201 H N 3.688 122.626 119.070 -0.220 0.000 2.472 201 H HA 0.632 5.181 4.556 -0.011 0.000 0.338 201 H C -1.322 173.730 175.328 -0.460 0.000 1.133 201 H CA -0.171 55.661 56.048 -0.360 0.000 1.216 201 H CB 2.000 31.301 29.762 -0.768 0.000 1.497 201 H HN 0.478 nan 8.280 nan 0.000 0.500 202 F N 0.106 120.104 119.950 0.081 0.000 2.613 202 F HA 0.204 4.724 4.527 -0.011 0.000 0.314 202 F C -0.245 175.669 175.800 0.190 0.000 1.075 202 F CA -0.538 57.519 58.000 0.095 0.000 0.945 202 F CB 1.058 40.028 39.000 -0.049 0.000 1.310 202 F HN 0.563 nan 8.300 nan 0.000 0.467 203 Y N 0.194 120.792 120.300 0.498 0.000 2.887 203 Y HA -0.027 4.516 4.550 -0.011 0.000 0.467 203 Y C 1.398 177.555 175.900 0.428 0.000 1.191 203 Y CA 0.734 59.050 58.100 0.359 0.000 2.539 203 Y CB -1.924 36.676 38.460 0.234 0.000 1.225 203 Y HN 1.290 nan 8.280 nan 0.000 0.630 204 G N 0.715 109.793 108.800 0.463 0.000 2.598 204 G HA2 0.086 4.039 3.960 -0.011 0.000 0.244 204 G HA3 0.086 4.039 3.960 -0.011 0.000 0.244 204 G C -0.490 174.634 174.900 0.374 0.000 1.302 204 G CA 1.153 46.448 45.100 0.326 0.000 0.903 204 G HN 1.406 nan 8.290 nan 0.000 0.575 205 R N -2.675 118.049 120.500 0.373 0.000 2.733 205 R HA 0.674 5.007 4.340 -0.011 0.000 0.272 205 R C -1.488 174.967 176.300 0.257 0.000 1.029 205 R CA -0.916 55.342 56.100 0.263 0.000 0.888 205 R CB 1.174 31.569 30.300 0.158 0.000 1.251 205 R HN 0.945 nan 8.270 nan 0.000 0.464 206 V N 1.116 121.091 119.914 0.101 0.000 2.370 206 V HA 0.348 4.461 4.120 -0.011 0.000 0.279 206 V C -0.145 175.903 176.094 -0.077 0.000 1.029 206 V CA -0.531 61.756 62.300 -0.021 0.000 0.870 206 V CB 1.277 33.015 31.823 -0.142 0.000 0.984 206 V HN 0.663 nan 8.190 nan 0.000 0.451 207 E N 3.236 123.372 120.200 -0.107 0.000 2.191 207 E HA 0.419 4.762 4.350 -0.011 0.000 0.278 207 E C -0.974 175.492 176.600 -0.222 0.000 0.972 207 E CA -0.707 55.639 56.400 -0.089 0.000 0.804 207 E CB 1.129 30.820 29.700 -0.014 0.000 1.110 207 E HN 0.659 nan 8.360 nan 0.000 0.394 208 H N 2.036 121.121 119.070 0.025 0.000 2.504 208 H HA 0.212 4.762 4.556 -0.011 0.000 0.322 208 H C 0.217 175.554 175.328 0.015 0.000 1.055 208 H CA -0.254 55.804 56.048 0.016 0.000 1.231 208 H CB 1.380 31.147 29.762 0.008 0.000 1.417 208 H HN 0.596 nan 8.280 nan 0.000 0.472 209 T N -0.783 113.836 114.554 0.108 0.000 2.819 209 T HA 0.211 4.554 4.350 -0.011 0.000 0.271 209 T C 1.405 176.144 174.700 0.065 0.000 0.986 209 T CA -0.600 61.541 62.100 0.069 0.000 0.989 209 T CB 0.744 69.635 68.868 0.040 0.000 1.396 209 T HN 0.347 nan 8.240 nan 0.000 0.597 210 S N -0.001 115.725 115.700 0.043 0.000 2.368 210 S HA -0.050 4.413 4.470 -0.011 0.000 0.224 210 S C 1.238 175.860 174.600 0.036 0.000 1.029 210 S CA 0.898 59.118 58.200 0.035 0.000 0.988 210 S CB -0.460 62.755 63.200 0.026 0.000 0.838 210 S HN 0.722 nan 8.310 nan 0.000 0.462 211 Q N 1.194 121.015 119.800 0.035 0.000 3.008 211 Q HA 0.496 4.829 4.340 -0.011 0.000 0.307 211 Q C 0.422 176.445 176.000 0.038 0.000 1.273 211 Q CA 0.108 55.931 55.803 0.033 0.000 1.091 211 Q CB -0.364 28.389 28.738 0.025 0.000 1.393 211 Q HN 0.458 nan 8.270 nan 0.000 0.521 212 G N 0.719 109.553 108.800 0.057 0.000 2.750 212 G HA2 -0.092 3.861 3.960 -0.011 0.000 0.228 212 G HA3 -0.092 3.861 3.960 -0.011 0.000 0.228 212 G C -0.377 174.558 174.900 0.059 0.000 1.367 212 G CA -0.578 44.566 45.100 0.074 0.000 0.871 212 G HN 0.869 nan 8.290 nan 0.000 0.560 213 A N -0.088 122.749 122.820 0.028 0.000 2.351 213 A HA 0.694 5.007 4.320 -0.011 0.000 0.257 213 A C 0.505 178.037 177.584 -0.087 0.000 1.087 213 A CA 0.470 52.430 52.037 -0.127 0.000 0.798 213 A CB 0.575 19.446 19.000 -0.216 0.000 1.033 213 A HN 0.771 nan 8.150 nan 0.000 0.488 214 K N 0.671 121.009 120.400 -0.102 0.000 2.443 214 K HA 0.213 4.526 4.320 -0.011 0.000 0.252 214 K C -1.797 174.834 176.600 0.052 0.000 0.933 214 K CA -0.364 55.912 56.287 -0.018 0.000 0.792 214 K CB 2.172 34.665 32.500 -0.012 0.000 1.185 214 K HN 0.726 nan 8.250 nan 0.000 0.425 215 W N 5.391 126.607 121.300 -0.140 0.000 2.311 215 W HA 0.332 4.985 4.660 -0.011 0.000 0.317 215 W C -0.616 175.843 176.519 -0.100 0.000 1.065 215 W CA -0.798 56.471 57.345 -0.127 0.000 1.364 215 W CB 0.135 29.505 29.460 -0.151 0.000 1.233 215 W HN 0.332 nan 8.180 nan 0.000 0.409 216 V N 2.722 122.691 119.914 0.090 0.000 3.158 216 V HA 0.602 4.715 4.120 -0.011 0.000 0.315 216 V C 0.006 176.079 176.094 -0.036 0.000 1.148 216 V CA -0.879 61.401 62.300 -0.033 0.000 1.042 216 V CB 1.890 33.721 31.823 0.015 0.000 1.101 216 V HN 0.454 nan 8.190 nan 0.000 0.448 217 D N 0.292 120.677 120.400 -0.025 0.000 2.772 217 D HA -0.142 4.491 4.640 -0.011 0.000 0.233 217 D C 0.551 176.859 176.300 0.013 0.000 1.143 217 D CA 1.525 55.532 54.000 0.011 0.000 0.700 217 D CB -1.539 39.289 40.800 0.047 0.000 1.076 217 D HN 1.293 nan 8.370 nan 0.000 0.430 218 T N -2.754 111.763 114.554 -0.063 0.000 2.913 218 T HA 0.448 4.791 4.350 -0.011 0.000 0.287 218 T C 0.449 175.204 174.700 0.090 0.000 1.008 218 T CA -0.729 61.343 62.100 -0.047 0.000 1.067 218 T CB 1.927 70.597 68.868 -0.329 0.000 0.996 218 T HN 0.024 nan 8.240 nan 0.000 0.513 219 Q N 1.076 121.000 119.800 0.206 0.000 2.279 219 Q HA 0.480 4.813 4.340 -0.011 0.000 0.256 219 Q C -0.778 175.343 176.000 0.202 0.000 0.937 219 Q CA -0.699 55.258 55.803 0.256 0.000 0.933 219 Q CB 1.485 30.465 28.738 0.402 0.000 1.189 219 Q HN 0.517 nan 8.270 nan 0.000 0.417 220 V N 3.789 123.773 119.914 0.116 0.000 2.439 220 V HA 0.337 4.451 4.120 -0.011 0.000 0.282 220 V C -0.168 175.977 176.094 0.085 0.000 1.039 220 V CA -0.549 61.728 62.300 -0.037 0.000 0.913 220 V CB 1.591 33.335 31.823 -0.132 0.000 0.983 220 V HN 0.482 nan 8.190 nan 0.000 0.460 221 V N 6.140 126.121 119.914 0.112 0.000 2.604 221 V HA 0.476 4.589 4.120 -0.011 0.000 0.305 221 V C -0.123 176.051 176.094 0.132 0.000 1.043 221 V CA -0.669 61.710 62.300 0.132 0.000 0.888 221 V CB 1.921 33.895 31.823 0.252 0.000 0.995 221 V HN 0.634 nan 8.190 nan 0.000 0.429 222 L N 3.614 124.905 121.223 0.113 0.000 2.350 222 L HA 0.718 5.051 4.340 -0.011 0.000 0.275 222 L C 0.476 177.514 176.870 0.281 0.000 1.099 222 L CA -0.260 54.660 54.840 0.133 0.000 0.808 222 L CB 1.188 43.306 42.059 0.099 0.000 1.149 222 L HN 0.755 nan 8.230 nan 0.000 0.442 223 A N 5.189 128.132 122.820 0.204 0.000 2.273 223 A HA 0.613 4.926 4.320 -0.011 0.000 0.315 223 A C -0.504 177.360 177.584 0.467 0.000 1.256 223 A CA -0.473 51.737 52.037 0.288 0.000 0.851 223 A CB 1.009 19.759 19.000 -0.417 0.000 1.172 223 A HN 0.785 nan 8.150 nan 0.000 0.508 224 M N 5.726 125.653 119.600 0.546 0.000 2.149 224 M HA 0.447 4.921 4.480 -0.011 0.000 0.342 224 M C -2.626 173.921 176.300 0.413 0.000 1.068 224 M CA -2.233 53.321 55.300 0.423 0.000 0.991 224 M CB 2.224 34.986 32.600 0.271 0.000 1.596 224 M HN 0.369 nan 8.290 nan 0.000 0.439 225 P HA 0.269 nan 4.420 nan 0.000 0.282 225 P C -1.922 175.290 177.300 -0.148 0.000 1.249 225 P CA -0.046 62.910 63.100 -0.241 0.000 0.806 225 P CB 0.561 31.889 31.700 -0.619 0.000 0.984 226 Y N 0.503 120.723 120.300 -0.133 0.000 2.350 226 Y HA 0.326 4.869 4.550 -0.011 0.000 0.338 226 Y C 0.198 176.075 175.900 -0.038 0.000 0.961 226 Y CA -0.337 57.748 58.100 -0.026 0.000 1.100 226 Y CB 1.305 39.787 38.460 0.037 0.000 1.179 226 Y HN 0.214 nan 8.280 nan 0.000 0.454 227 D N 1.978 122.474 120.400 0.160 0.000 2.198 227 D HA 0.387 5.020 4.640 -0.011 0.000 0.245 227 D C -0.553 175.969 176.300 0.371 0.000 1.079 227 D CA -0.197 53.940 54.000 0.228 0.000 0.854 227 D CB 1.690 42.651 40.800 0.268 0.000 1.148 227 D HN 0.375 nan 8.370 nan 0.000 0.456 228 T N 3.174 117.858 114.554 0.217 0.000 2.829 228 T HA 0.479 4.822 4.350 -0.011 0.000 0.280 228 T C -2.505 172.048 174.700 -0.244 0.000 0.999 228 T CA -1.507 60.627 62.100 0.057 0.000 0.983 228 T CB 2.001 70.891 68.868 0.037 0.000 0.968 228 T HN 0.168 nan 8.240 nan 0.000 0.446 229 P HA 0.317 nan 4.420 nan 0.000 0.275 229 P C -1.027 175.943 177.300 -0.550 0.000 1.227 229 P CA -0.408 62.028 63.100 -1.108 0.000 0.781 229 P CB 0.774 31.602 31.700 -1.452 0.000 0.906 230 V N 5.187 124.843 119.914 -0.430 0.000 2.305 230 V HA 0.273 4.386 4.120 -0.011 0.000 0.275 230 V C -2.102 173.858 176.094 -0.222 0.000 1.020 230 V CA -1.958 60.181 62.300 -0.269 0.000 0.811 230 V CB 1.336 33.050 31.823 -0.181 0.000 1.031 230 V HN 0.531 nan 8.190 nan 0.000 0.439 231 P HA 0.272 nan 4.420 nan 0.000 0.287 231 P C 0.429 177.679 177.300 -0.083 0.000 1.281 231 P CA 0.290 63.302 63.100 -0.148 0.000 0.781 231 P CB 1.583 33.191 31.700 -0.153 0.000 0.903 232 G N 2.635 111.405 108.800 -0.050 0.000 2.634 232 G HA2 0.061 4.014 3.960 -0.011 0.000 0.255 232 G HA3 0.061 4.014 3.960 -0.011 0.000 0.255 232 G C -1.070 173.847 174.900 0.027 0.000 1.205 232 G CA -0.538 44.562 45.100 0.000 0.000 0.884 232 G HN 0.523 nan 8.290 nan 0.000 0.549 233 Y N 1.001 121.263 120.300 -0.064 0.000 2.624 233 Y HA 0.236 4.779 4.550 -0.012 0.000 0.354 233 Y C 1.313 177.175 175.900 -0.062 0.000 1.051 233 Y CA -0.197 57.862 58.100 -0.070 0.000 1.377 233 Y CB -0.127 38.291 38.460 -0.072 0.000 1.168 233 Y HN 0.723 nan 8.280 nan 0.000 0.525 234 R N 3.110 123.347 120.500 -0.438 0.000 3.516 234 R HA -0.319 4.014 4.340 -0.011 0.000 0.271 234 R C 0.021 176.189 176.300 -0.221 0.000 1.098 234 R CA 1.310 57.157 56.100 -0.423 0.000 0.732 234 R CB -2.176 27.700 30.300 -0.707 0.000 1.152 234 R HN 0.950 nan 8.270 nan 0.000 0.455 235 N N -0.717 117.904 118.700 -0.132 0.000 2.170 235 N HA 0.039 4.772 4.740 -0.011 0.000 0.222 235 N C -0.150 175.313 175.510 -0.078 0.000 1.218 235 N CA -0.483 52.518 53.050 -0.081 0.000 0.889 235 N CB 0.472 38.937 38.487 -0.037 0.000 1.083 235 N HN 0.100 nan 8.380 nan 0.000 0.520 236 N N -0.101 118.549 118.700 -0.083 0.000 2.713 236 N HA -0.138 4.595 4.740 -0.011 0.000 0.251 236 N C -0.887 174.582 175.510 -0.068 0.000 1.117 236 N CA 0.623 53.631 53.050 -0.069 0.000 0.770 236 N CB -1.400 37.047 38.487 -0.066 0.000 1.137 236 N HN 0.198 nan 8.380 nan 0.000 0.566 237 V N 1.135 121.012 119.914 -0.062 0.000 2.465 237 V HA 0.412 4.525 4.120 -0.011 0.000 0.279 237 V C 0.617 176.684 176.094 -0.045 0.000 1.045 237 V CA -0.488 61.782 62.300 -0.050 0.000 0.938 237 V CB 2.092 33.909 31.823 -0.009 0.000 0.986 237 V HN -0.015 nan 8.190 nan 0.000 0.467 238 V N 5.342 125.235 119.914 -0.035 0.000 2.419 238 V HA 0.443 4.556 4.120 -0.011 0.000 0.287 238 V C -0.118 175.975 176.094 -0.002 0.000 1.017 238 V CA -0.869 61.385 62.300 -0.077 0.000 0.844 238 V CB 1.505 33.253 31.823 -0.126 0.000 1.011 238 V HN 0.839 nan 8.190 nan 0.000 0.429 239 N N 1.931 120.603 118.700 -0.045 0.000 2.448 239 N HA 0.560 5.293 4.740 -0.011 0.000 0.274 239 N C -0.064 175.433 175.510 -0.022 0.000 1.239 239 N CA -0.306 52.740 53.050 -0.008 0.000 0.982 239 N CB 1.170 39.611 38.487 -0.076 0.000 1.199 239 N HN 0.586 nan 8.380 nan 0.000 0.576 240 T N 0.826 115.372 114.554 -0.014 0.000 2.824 240 T HA 0.389 4.733 4.350 -0.011 0.000 0.282 240 T C -0.251 174.440 174.700 -0.015 0.000 0.993 240 T CA -0.486 61.689 62.100 0.125 0.000 0.967 240 T CB 0.900 69.966 68.868 0.329 0.000 0.960 240 T HN 0.290 nan 8.240 nan 0.000 0.441 241 M N 3.938 123.494 119.600 -0.073 0.000 2.101 241 M HA 0.498 4.971 4.480 -0.011 0.000 0.340 241 M C -0.455 175.717 176.300 -0.214 0.000 1.057 241 M CA -0.747 54.425 55.300 -0.213 0.000 0.984 241 M CB 0.711 33.122 32.600 -0.315 0.000 1.560 241 M HN 0.466 nan 8.290 nan 0.000 0.435 242 R N 5.896 126.156 120.500 -0.400 0.000 2.265 242 R HA 0.612 4.946 4.340 -0.011 0.000 0.328 242 R C -1.909 174.096 176.300 -0.491 0.000 0.969 242 R CA -0.412 55.378 56.100 -0.518 0.000 0.832 242 R CB 0.854 30.633 30.300 -0.869 0.000 1.139 242 R HN 0.810 nan 8.270 nan 0.000 0.457 243 L N 5.153 126.196 121.223 -0.300 0.000 2.341 243 L HA 0.490 4.823 4.340 -0.011 0.000 0.278 243 L C -0.862 175.971 176.870 -0.062 0.000 1.005 243 L CA -0.907 53.869 54.840 -0.106 0.000 0.818 243 L CB 1.521 43.607 42.059 0.045 0.000 1.259 243 L HN 0.593 nan 8.230 nan 0.000 0.418 244 W N 1.872 123.299 121.300 0.212 0.000 2.365 244 W HA 0.468 5.122 4.660 -0.011 0.000 0.316 244 W C 0.519 177.272 176.519 0.389 0.000 1.164 244 W CA -0.194 57.308 57.345 0.262 0.000 1.204 244 W CB 1.554 31.058 29.460 0.073 0.000 1.213 244 W HN 0.330 nan 8.180 nan 0.000 0.539 245 S N 1.749 117.859 115.700 0.684 0.000 2.482 245 S HA 0.755 5.218 4.470 -0.011 0.000 0.303 245 S C -0.437 174.496 174.600 0.555 0.000 1.091 245 S CA -0.715 57.785 58.200 0.500 0.000 1.057 245 S CB 0.620 64.058 63.200 0.397 0.000 1.031 245 S HN 0.512 nan 8.310 nan 0.000 0.485 246 A N 4.918 127.897 122.820 0.264 0.000 2.362 246 A HA 0.619 4.933 4.320 -0.011 0.000 0.276 246 A C -0.119 177.521 177.584 0.093 0.000 1.153 246 A CA -0.219 51.870 52.037 0.088 0.000 0.813 246 A CB 0.303 19.081 19.000 -0.370 0.000 1.081 246 A HN 0.645 nan 8.150 nan 0.000 0.507 247 K N 1.253 121.723 120.400 0.116 0.000 2.427 247 K HA 0.599 4.912 4.320 -0.011 0.000 0.252 247 K C -0.484 176.095 176.600 -0.034 0.000 0.931 247 K CA -0.422 55.895 56.287 0.050 0.000 0.793 247 K CB 2.257 34.819 32.500 0.103 0.000 1.211 247 K HN 0.818 nan 8.250 nan 0.000 0.426 248 A N 4.398 127.139 122.820 -0.131 0.000 2.388 248 A HA 0.451 4.764 4.320 -0.011 0.000 0.257 248 A C -2.084 175.455 177.584 -0.076 0.000 1.095 248 A CA -1.071 50.806 52.037 -0.266 0.000 0.791 248 A CB -0.278 18.414 19.000 -0.514 0.000 1.029 248 A HN 0.352 nan 8.150 nan 0.000 0.489 249 P HA 0.069 nan 4.420 nan 0.000 0.270 249 P C 0.079 177.448 177.300 0.115 0.000 1.223 249 P CA -0.353 62.790 63.100 0.071 0.000 0.785 249 P CB 0.551 32.313 31.700 0.103 0.000 0.923 250 N N 0.928 119.686 118.700 0.096 0.000 2.459 250 N HA -0.110 4.623 4.740 -0.011 0.000 0.181 250 N C 0.736 176.318 175.510 0.121 0.000 1.046 250 N CA 1.020 54.129 53.050 0.100 0.000 0.904 250 N CB -0.381 38.151 38.487 0.075 0.000 0.964 250 N HN 0.566 nan 8.380 nan 0.000 0.444 251 D N -0.856 119.620 120.400 0.127 0.000 2.342 251 D HA -0.053 4.580 4.640 -0.011 0.000 0.221 251 D C 0.084 176.464 176.300 0.132 0.000 1.101 251 D CA -0.639 53.428 54.000 0.112 0.000 0.837 251 D CB -0.951 39.897 40.800 0.079 0.000 0.938 251 D HN -0.010 nan 8.370 nan 0.000 0.508 252 F N 2.554 122.518 119.950 0.022 0.000 2.590 252 F HA 0.064 4.585 4.527 -0.011 0.000 0.389 252 F C 0.777 176.581 175.800 0.006 0.000 1.049 252 F CA 0.182 58.191 58.000 0.016 0.000 1.199 252 F CB 0.098 39.107 39.000 0.015 0.000 1.058 252 F HN -0.115 nan 8.300 nan 0.000 0.556 253 N N 3.047 121.401 118.700 -0.578 0.000 2.732 253 N HA -0.277 4.456 4.740 -0.011 0.000 0.250 253 N C -0.642 174.773 175.510 -0.157 0.000 1.097 253 N CA 1.351 54.149 53.050 -0.419 0.000 0.812 253 N CB -1.408 36.804 38.487 -0.458 0.000 1.148 253 N HN 0.539 nan 8.380 nan 0.000 0.572 262 Y N 0.773 121.073 120.300 -0.000 0.000 2.128 262 Y HA -0.113 4.430 4.550 -0.011 0.000 0.284 262 Y C 2.682 178.590 175.900 0.013 0.000 1.154 262 Y CA 2.415 60.519 58.100 0.005 0.000 1.149 262 Y CB -0.073 38.391 38.460 0.007 0.000 0.976 262 Y HN 0.240 nan 8.280 nan 0.000 0.505 263 I N 0.479 121.009 120.570 -0.067 0.000 2.163 263 I HA -0.316 3.848 4.170 -0.011 0.000 0.243 263 I C 2.395 178.418 176.117 -0.157 0.000 1.085 263 I CA 1.902 63.107 61.300 -0.158 0.000 1.347 263 I CB -1.411 36.599 38.000 0.016 0.000 1.044 263 I HN 0.350 nan 8.210 nan 0.000 0.408 264 Q N 1.060 120.813 119.800 -0.079 0.000 2.084 264 Q HA -0.109 4.224 4.340 -0.011 0.000 0.202 264 Q C 2.239 178.196 176.000 -0.072 0.000 0.978 264 Q CA 2.200 57.969 55.803 -0.056 0.000 0.844 264 Q CB -0.355 28.366 28.738 -0.028 0.000 0.898 264 Q HN 0.475 nan 8.270 nan 0.000 0.426 265 A N -0.742 122.015 122.820 -0.103 0.000 1.908 265 A HA -0.152 4.161 4.320 -0.011 0.000 0.218 265 A C 2.246 179.785 177.584 -0.076 0.000 1.181 265 A CA 1.740 53.718 52.037 -0.097 0.000 0.627 265 A CB -0.807 18.133 19.000 -0.100 0.000 0.818 265 A HN 0.272 nan 8.150 nan 0.000 0.445 266 V N 0.099 119.894 119.914 -0.198 0.000 2.358 266 V HA -0.221 3.892 4.120 -0.011 0.000 0.246 266 V C 2.493 178.556 176.094 -0.052 0.000 1.047 266 V CA 1.819 64.024 62.300 -0.158 0.000 1.035 266 V CB -0.739 30.889 31.823 -0.324 0.000 0.658 266 V HN 0.571 nan 8.190 nan 0.000 0.452 267 L N -0.223 120.966 121.223 -0.058 0.000 2.201 267 L HA -0.122 4.211 4.340 -0.011 0.000 0.212 267 L C 1.890 178.777 176.870 0.029 0.000 1.105 267 L CA 1.124 55.955 54.840 -0.014 0.000 0.775 267 L CB -0.605 41.443 42.059 -0.019 0.000 0.913 267 L HN 0.323 nan 8.230 nan 0.000 0.440 268 D N -0.098 120.337 120.400 0.058 0.000 2.363 268 D HA -0.046 4.587 4.640 -0.011 0.000 0.226 268 D C 2.106 178.562 176.300 0.260 0.000 1.020 268 D CA 0.338 54.414 54.000 0.128 0.000 0.892 268 D CB 0.058 40.917 40.800 0.099 0.000 0.900 268 D HN 0.192 nan 8.370 nan 0.000 0.531 269 R N 0.342 120.965 120.500 0.205 0.000 2.127 269 R HA -0.104 4.229 4.340 -0.011 0.000 0.238 269 R C 1.667 177.938 176.300 -0.048 0.000 1.134 269 R CA 1.119 57.262 56.100 0.072 0.000 0.975 269 R CB -0.307 30.010 30.300 0.028 0.000 0.865 269 R HN 0.322 nan 8.270 nan 0.000 0.447 270 N N 0.317 119.024 118.700 0.012 0.000 2.192 270 N HA -0.200 4.533 4.740 -0.011 0.000 0.188 270 N C 1.292 176.796 175.510 -0.008 0.000 1.013 270 N CA 0.769 53.820 53.050 0.001 0.000 0.863 270 N CB -0.122 38.378 38.487 0.022 0.000 0.990 270 N HN 0.024 nan 8.380 nan 0.000 0.430 271 L N 0.927 122.167 121.223 0.028 0.000 2.012 271 L HA -0.153 4.181 4.340 -0.011 0.000 0.210 271 L C 2.383 179.229 176.870 -0.040 0.000 1.073 271 L CA 1.532 56.395 54.840 0.039 0.000 0.748 271 L CB -0.976 41.170 42.059 0.144 0.000 0.891 271 L HN 0.192 nan 8.230 nan 0.000 0.431 272 A N -1.211 121.508 122.820 -0.169 0.000 1.929 272 A HA -0.134 4.179 4.320 -0.011 0.000 0.216 272 A C 2.123 179.581 177.584 -0.209 0.000 1.176 272 A CA 1.191 53.068 52.037 -0.267 0.000 0.628 272 A CB -0.377 18.264 19.000 -0.598 0.000 0.816 272 A HN 0.509 nan 8.150 nan 0.000 0.444 273 E N 0.070 120.169 120.200 -0.167 0.000 2.435 273 E HA -0.064 4.280 4.350 -0.011 0.000 0.195 273 E C 0.974 177.531 176.600 -0.070 0.000 1.029 273 E CA 0.145 56.478 56.400 -0.111 0.000 0.865 273 E CB -0.114 29.545 29.700 -0.068 0.000 0.833 273 E HN 0.442 nan 8.360 nan 0.000 0.510 274 N N 1.074 119.741 118.700 -0.055 0.000 2.443 274 N HA -0.105 4.629 4.740 -0.011 0.000 0.184 274 N C 1.587 177.087 175.510 -0.017 0.000 1.037 274 N CA 0.639 53.683 53.050 -0.009 0.000 0.896 274 N CB -0.049 38.439 38.487 0.002 0.000 0.959 274 N HN 0.260 nan 8.380 nan 0.000 0.442 275 I N 0.350 120.850 120.570 -0.118 0.000 2.163 275 I HA -0.260 3.903 4.170 -0.011 0.000 0.243 275 I C 1.532 177.594 176.117 -0.092 0.000 1.085 275 I CA 1.310 62.506 61.300 -0.173 0.000 1.347 275 I CB -0.226 37.509 38.000 -0.441 0.000 1.044 275 I HN 0.140 nan 8.210 nan 0.000 0.408 276 S N -0.303 115.327 115.700 -0.117 0.000 2.614 276 S HA 0.138 4.601 4.470 -0.011 0.000 0.230 276 S C 1.522 176.244 174.600 0.204 0.000 0.952 276 S CA -0.416 57.805 58.200 0.036 0.000 0.949 276 S CB 0.134 63.336 63.200 0.004 0.000 0.786 276 S HN 0.230 nan 8.310 nan 0.000 0.478 277 R N 1.147 121.774 120.500 0.212 0.000 2.075 277 R HA 0.288 4.621 4.340 -0.011 0.000 0.226 277 R C 0.323 176.873 176.300 0.416 0.000 1.114 277 R CA 1.037 57.305 56.100 0.281 0.000 0.972 277 R CB -0.176 30.253 30.300 0.214 0.000 0.869 277 R HN 0.383 nan 8.270 nan 0.000 0.437 278 V N 0.538 120.659 119.914 0.345 0.000 2.851 278 V HA 0.343 4.457 4.120 -0.011 0.000 0.307 278 V C -1.600 174.479 176.094 -0.025 0.000 1.129 278 V CA -1.358 61.068 62.300 0.209 0.000 0.932 278 V CB 1.760 33.627 31.823 0.073 0.000 1.024 278 V HN 0.157 nan 8.190 nan 0.000 0.426 279 L N 7.098 128.086 121.223 -0.392 0.000 2.410 279 L HA 0.452 4.785 4.340 -0.011 0.000 0.273 279 L C -0.797 175.922 176.870 -0.251 0.000 1.144 279 L CA 0.467 54.870 54.840 -0.728 0.000 0.863 279 L CB 0.398 41.949 42.059 -0.846 0.000 1.140 279 L HN 0.679 nan 8.230 nan 0.000 0.463 280 Y N 7.076 127.279 120.300 -0.161 0.000 2.569 280 Y HA 0.172 4.715 4.550 -0.011 0.000 0.332 280 Y C -1.386 174.501 175.900 -0.022 0.000 1.120 280 Y CA -1.243 56.834 58.100 -0.038 0.000 1.416 280 Y CB 0.250 38.711 38.460 0.003 0.000 1.210 280 Y HN 0.569 nan 8.280 nan 0.000 0.528 281 P HA 0.031 nan 4.420 nan 0.000 0.244 281 P C -0.891 176.534 177.300 0.208 0.000 1.632 281 P CA 0.097 63.296 63.100 0.165 0.000 0.944 281 P CB 0.082 31.962 31.700 0.300 0.000 1.569 282 N N 1.278 120.111 118.700 0.221 0.000 2.426 282 N HA 0.170 4.904 4.740 -0.011 0.000 0.275 282 N C -0.724 174.941 175.510 0.257 0.000 1.019 282 N CA 0.015 53.225 53.050 0.267 0.000 0.941 282 N CB 1.302 39.995 38.487 0.344 0.000 1.123 282 N HN 0.071 nan 8.380 nan 0.000 0.486 283 D N 1.010 121.601 120.400 0.318 0.000 2.303 283 D HA 0.202 4.835 4.640 -0.011 0.000 0.236 283 D C -0.243 176.370 176.300 0.521 0.000 1.068 283 D CA -0.332 53.896 54.000 0.379 0.000 0.830 283 D CB 0.309 41.350 40.800 0.402 0.000 1.109 283 D HN 0.319 nan 8.370 nan 0.000 0.496 284 N N 3.066 121.972 118.700 0.343 0.000 2.725 284 N HA -0.260 4.473 4.740 -0.011 0.000 0.251 284 N C -1.292 174.436 175.510 0.363 0.000 1.031 284 N CA 0.696 53.898 53.050 0.254 0.000 0.720 284 N CB -0.841 37.694 38.487 0.081 0.000 0.930 284 N HN 0.365 nan 8.380 nan 0.000 0.543 285 F N 0.655 120.712 119.950 0.179 0.000 2.623 285 F HA 0.407 4.927 4.527 -0.012 0.000 0.323 285 F C -1.289 174.591 175.800 0.133 0.000 1.158 285 F CA -1.143 56.937 58.000 0.133 0.000 1.030 285 F CB 0.888 39.941 39.000 0.088 0.000 1.280 285 F HN -0.006 nan 8.300 nan 0.000 0.474 286 F N 6.102 125.612 119.950 -0.734 0.000 2.411 286 F HA 0.479 4.999 4.527 -0.011 0.000 0.350 286 F C -0.425 174.890 175.800 -0.808 0.000 1.114 286 F CA -0.047 57.583 58.000 -0.617 0.000 1.135 286 F CB 0.721 39.417 39.000 -0.506 0.000 1.120 286 F HN 0.594 nan 8.300 nan 0.000 0.495 287 E N 4.218 123.743 120.200 -1.125 0.000 2.182 287 E HA 0.300 4.643 4.350 -0.011 0.000 0.258 287 E C -0.258 175.600 176.600 -1.237 0.000 0.879 287 E CA -0.748 55.097 56.400 -0.925 0.000 0.754 287 E CB 1.354 30.908 29.700 -0.243 0.000 1.162 287 E HN 0.928 nan 8.360 nan 0.000 0.419 288 G N 5.208 113.204 108.800 -1.339 0.000 3.316 288 G HA2 0.058 4.012 3.960 -0.011 0.000 0.255 288 G HA3 0.058 4.012 3.960 -0.011 0.000 0.255 288 G C -0.078 174.744 174.900 -0.131 0.000 0.880 288 G CA -0.217 44.304 45.100 -0.965 0.000 1.956 288 G HN 0.187 nan 8.290 nan 0.000 0.634 289 K N 0.447 120.844 120.400 -0.006 0.000 2.138 289 K HA 0.205 4.518 4.320 -0.011 0.000 0.263 289 K C 0.862 177.601 176.600 0.231 0.000 0.965 289 K CA -0.699 55.668 56.287 0.134 0.000 0.868 289 K CB 2.400 34.977 32.500 0.129 0.000 1.083 289 K HN 0.412 nan 8.250 nan 0.000 0.443 290 E N 1.596 121.901 120.200 0.174 0.000 2.118 290 E HA -0.213 4.130 4.350 -0.011 0.000 0.195 290 E C 1.517 178.145 176.600 0.047 0.000 0.992 290 E CA 1.045 57.501 56.400 0.092 0.000 0.804 290 E CB 0.174 29.931 29.700 0.094 0.000 0.741 290 E HN 0.408 nan 8.360 nan 0.000 0.458 291 L N 1.284 122.573 121.223 0.111 0.000 2.083 291 L HA -0.163 4.170 4.340 -0.011 0.000 0.209 291 L C 2.431 179.382 176.870 0.135 0.000 1.083 291 L CA 1.780 56.699 54.840 0.132 0.000 0.752 291 L CB -0.515 41.684 42.059 0.233 0.000 0.899 291 L HN 0.003 nan 8.230 nan 0.000 0.433 292 R N -0.544 119.983 120.500 0.045 0.000 2.081 292 R HA -0.158 4.175 4.340 -0.011 0.000 0.235 292 R C 2.104 178.428 176.300 0.040 0.000 1.131 292 R CA 1.869 57.908 56.100 -0.101 0.000 0.960 292 R CB -1.045 28.979 30.300 -0.460 0.000 0.856 292 R HN 0.418 nan 8.270 nan 0.000 0.436 293 L N 0.877 122.044 121.223 -0.092 0.000 2.083 293 L HA -0.067 4.266 4.340 -0.011 0.000 0.209 293 L C 1.681 178.491 176.870 -0.099 0.000 1.083 293 L CA 1.913 56.499 54.840 -0.423 0.000 0.752 293 L CB -0.425 41.084 42.059 -0.916 0.000 0.899 293 L HN 0.154 nan 8.230 nan 0.000 0.433 294 K N -1.052 119.343 120.400 -0.009 0.000 2.097 294 K HA -0.182 4.131 4.320 -0.011 0.000 0.206 294 K C 2.097 178.863 176.600 0.276 0.000 1.049 294 K CA 1.631 57.993 56.287 0.125 0.000 0.933 294 K CB -0.144 32.242 32.500 -0.189 0.000 0.717 294 K HN 0.503 nan 8.250 nan 0.000 0.442 295 Q N 0.574 120.492 119.800 0.197 0.000 2.050 295 Q HA -0.179 4.154 4.340 -0.011 0.000 0.202 295 Q C 1.921 178.105 176.000 0.307 0.000 0.980 295 Q CA 1.414 57.382 55.803 0.276 0.000 0.840 295 Q CB 0.016 28.930 28.738 0.294 0.000 0.898 295 Q HN 0.375 nan 8.270 nan 0.000 0.424 296 E N -0.183 120.151 120.200 0.224 0.000 2.077 296 E HA -0.216 4.128 4.350 -0.011 0.000 0.193 296 E C 1.739 178.439 176.600 0.167 0.000 0.989 296 E CA 1.053 57.568 56.400 0.191 0.000 0.800 296 E CB -0.142 29.650 29.700 0.154 0.000 0.746 296 E HN 0.324 nan 8.360 nan 0.000 0.452 297 Y N 0.403 120.736 120.300 0.054 0.000 2.242 297 Y HA -0.212 4.331 4.550 -0.011 0.000 0.291 297 Y C 1.976 177.894 175.900 0.031 0.000 1.137 297 Y CA 1.139 59.225 58.100 -0.024 0.000 1.181 297 Y CB -0.350 38.055 38.460 -0.091 0.000 0.989 297 Y HN 0.026 nan 8.280 nan 0.000 0.527 298 F N -0.432 119.502 119.950 -0.026 0.000 2.095 298 F HA -0.223 4.297 4.527 -0.011 0.000 0.298 298 F C 2.431 178.079 175.800 -0.252 0.000 1.104 298 F CA 1.960 59.902 58.000 -0.097 0.000 1.232 298 F CB -0.975 38.124 39.000 0.165 0.000 0.987 298 F HN -0.065 nan 8.300 nan 0.000 0.475 299 V N -0.516 119.352 119.914 -0.077 0.000 2.427 299 V HA -0.178 3.935 4.120 -0.011 0.000 0.248 299 V C 2.138 178.070 176.094 -0.271 0.000 1.051 299 V CA 1.861 64.076 62.300 -0.141 0.000 1.048 299 V CB -0.291 31.654 31.823 0.204 0.000 0.666 299 V HN 0.266 nan 8.190 nan 0.000 0.456 300 V N 0.327 120.085 119.914 -0.261 0.000 2.323 300 V HA -0.124 3.989 4.120 -0.011 0.000 0.244 300 V C 2.783 178.611 176.094 -0.444 0.000 1.041 300 V CA 1.998 64.135 62.300 -0.272 0.000 1.025 300 V CB -0.878 30.841 31.823 -0.174 0.000 0.656 300 V HN 0.632 nan 8.190 nan 0.000 0.451 301 A N -0.155 122.234 122.820 -0.719 0.000 1.873 301 A HA -0.078 4.235 4.320 -0.011 0.000 0.215 301 A C 2.386 179.595 177.584 -0.625 0.000 1.186 301 A CA 2.026 53.632 52.037 -0.719 0.000 0.616 301 A CB -0.760 17.590 19.000 -1.083 0.000 0.823 301 A HN 0.551 nan 8.150 nan 0.000 0.442 302 A N -1.080 121.210 122.820 -0.883 0.000 1.898 302 A HA -0.043 4.270 4.320 -0.011 0.000 0.216 302 A C 2.307 179.382 177.584 -0.849 0.000 1.181 302 A CA 2.214 53.548 52.037 -1.172 0.000 0.620 302 A CB -1.241 16.444 19.000 -2.191 0.000 0.819 302 A HN 0.418 nan 8.150 nan 0.000 0.442 303 T N 0.326 114.523 114.554 -0.594 0.000 2.708 303 T HA -0.121 4.222 4.350 -0.011 0.000 0.266 303 T C 1.751 176.187 174.700 -0.440 0.000 1.037 303 T CA 1.642 63.529 62.100 -0.354 0.000 1.146 303 T CB -0.337 68.320 68.868 -0.351 0.000 0.865 303 T HN 0.207 nan 8.240 nan 0.000 0.435 304 L N 1.018 122.021 121.223 -0.367 0.000 2.083 304 L HA -0.029 4.304 4.340 -0.011 0.000 0.209 304 L C 2.668 179.414 176.870 -0.206 0.000 1.083 304 L CA 1.559 56.232 54.840 -0.278 0.000 0.752 304 L CB -0.825 41.107 42.059 -0.212 0.000 0.899 304 L HN 0.279 nan 8.230 nan 0.000 0.433 305 Q N -0.931 118.746 119.800 -0.204 0.000 2.096 305 Q HA -0.261 4.072 4.340 -0.011 0.000 0.204 305 Q C 1.837 177.798 176.000 -0.064 0.000 0.982 305 Q CA 1.825 57.556 55.803 -0.119 0.000 0.850 305 Q CB -0.095 28.558 28.738 -0.141 0.000 0.901 305 Q HN 0.451 nan 8.270 nan 0.000 0.422 306 D N 0.186 120.538 120.400 -0.080 0.000 2.117 306 D HA -0.101 4.533 4.640 -0.011 0.000 0.198 306 D C 1.667 177.903 176.300 -0.108 0.000 0.982 306 D CA 0.845 54.845 54.000 -0.001 0.000 0.828 306 D CB -0.048 40.883 40.800 0.218 0.000 0.967 306 D HN 0.169 nan 8.370 nan 0.000 0.464 307 I N 0.173 120.569 120.570 -0.289 0.000 2.208 307 I HA -0.259 3.904 4.170 -0.011 0.000 0.245 307 I C 2.321 178.435 176.117 -0.004 0.000 1.097 307 I CA 0.822 61.890 61.300 -0.386 0.000 1.363 307 I CB -0.155 37.451 38.000 -0.657 0.000 1.051 307 I HN 0.086 nan 8.210 nan 0.000 0.413 308 I N 0.048 120.666 120.570 0.080 0.000 2.252 308 I HA -0.270 3.893 4.170 -0.011 0.000 0.245 308 I C 2.783 179.051 176.117 0.253 0.000 1.102 308 I CA 1.009 62.468 61.300 0.264 0.000 1.385 308 I CB -0.402 37.700 38.000 0.170 0.000 1.064 308 I HN 0.184 nan 8.210 nan 0.000 0.414 309 R N 1.256 121.838 120.500 0.137 0.000 2.094 309 R HA -0.258 4.075 4.340 -0.011 0.000 0.239 309 R C 2.491 178.864 176.300 0.122 0.000 1.137 309 R CA 2.018 58.191 56.100 0.123 0.000 0.943 309 R CB -0.325 30.035 30.300 0.099 0.000 0.850 309 R HN 0.216 nan 8.270 nan 0.000 0.433 310 R N -0.643 119.916 120.500 0.098 0.000 2.096 310 R HA -0.169 4.164 4.340 -0.011 0.000 0.235 310 R C 2.228 178.619 176.300 0.152 0.000 1.127 310 R CA 1.694 57.854 56.100 0.100 0.000 0.968 310 R CB -0.393 29.942 30.300 0.058 0.000 0.861 310 R HN 0.300 nan 8.270 nan 0.000 0.440 311 F N 1.465 121.453 119.950 0.064 0.000 2.134 311 F HA -0.144 4.376 4.527 -0.012 0.000 0.299 311 F C 1.719 177.534 175.800 0.025 0.000 1.097 311 F CA 1.623 59.659 58.000 0.060 0.000 1.264 311 F CB 0.021 39.124 39.000 0.171 0.000 1.001 311 F HN -0.124 nan 8.300 nan 0.000 0.479 312 K N -0.466 119.925 120.400 -0.016 0.000 2.155 312 K HA -0.016 4.298 4.320 -0.011 0.000 0.203 312 K C 1.604 178.134 176.600 -0.117 0.000 1.052 312 K CA 1.230 57.432 56.287 -0.141 0.000 0.948 312 K CB -0.196 32.321 32.500 0.029 0.000 0.728 312 K HN 0.112 nan 8.250 nan 0.000 0.448 313 S N 1.088 116.775 115.700 -0.022 0.000 2.679 313 S HA 0.110 4.573 4.470 -0.011 0.000 0.233 313 S C 0.240 174.863 174.600 0.039 0.000 0.951 313 S CA -0.276 57.945 58.200 0.035 0.000 0.973 313 S CB 0.218 63.481 63.200 0.104 0.000 0.778 313 S HN 0.126 nan 8.310 nan 0.000 0.477 325 N N 0.795 119.439 118.700 -0.094 0.000 2.482 325 N HA 0.283 5.016 4.740 -0.011 0.000 0.242 325 N C -0.456 175.099 175.510 0.075 0.000 1.100 325 N CA -0.041 53.024 53.050 0.024 0.000 0.946 325 N CB 0.198 38.708 38.487 0.038 0.000 1.227 325 N HN 0.131 nan 8.380 nan 0.000 0.508 326 F N 1.386 121.445 119.950 0.182 0.000 2.743 326 F HA 0.090 4.610 4.527 -0.011 0.000 0.297 326 F C 1.868 177.724 175.800 0.093 0.000 1.131 326 F CA -0.035 58.031 58.000 0.110 0.000 1.426 326 F CB 0.272 39.234 39.000 -0.064 0.000 1.116 326 F HN 0.474 nan 8.300 nan 0.000 0.583 327 D N 0.422 120.961 120.400 0.231 0.000 2.149 327 D HA -0.182 4.451 4.640 -0.011 0.000 0.198 327 D C 2.161 178.549 176.300 0.147 0.000 0.990 327 D CA 1.494 55.586 54.000 0.153 0.000 0.839 327 D CB -0.077 40.789 40.800 0.110 0.000 0.948 327 D HN 0.316 nan 8.370 nan 0.000 0.460 328 A N -0.103 122.826 122.820 0.183 0.000 2.218 328 A HA 0.050 4.363 4.320 -0.011 0.000 0.209 328 A C 1.708 179.401 177.584 0.183 0.000 1.168 328 A CA -0.280 51.860 52.037 0.172 0.000 0.804 328 A CB -0.631 18.475 19.000 0.177 0.000 0.834 328 A HN 0.133 nan 8.150 nan 0.000 0.482 329 F N 1.983 121.907 119.950 -0.044 0.000 2.063 329 F HA -0.169 4.351 4.527 -0.011 0.000 0.298 329 F C -0.813 174.884 175.800 -0.172 0.000 1.109 329 F CA 2.639 60.417 58.000 -0.370 0.000 1.212 329 F CB -0.555 38.222 39.000 -0.372 0.000 0.973 329 F HN 0.206 nan 8.300 nan 0.000 0.480 330 P HA -0.074 nan 4.420 nan 0.000 0.230 330 P C 0.604 177.853 177.300 -0.086 0.000 1.158 330 P CA 1.273 64.325 63.100 -0.079 0.000 0.769 330 P CB -0.071 31.618 31.700 -0.019 0.000 0.807 331 D N -0.697 119.676 120.400 -0.044 0.000 2.323 331 D HA -0.024 4.609 4.640 -0.011 0.000 0.209 331 D C 1.482 177.763 176.300 -0.031 0.000 0.973 331 D CA 0.886 54.874 54.000 -0.020 0.000 0.874 331 D CB 0.138 40.948 40.800 0.018 0.000 0.930 331 D HN 0.141 nan 8.370 nan 0.000 0.521 332 K N 0.001 120.358 120.400 -0.072 0.000 2.402 332 K HA 0.218 4.531 4.320 -0.011 0.000 0.203 332 K C -0.161 176.349 176.600 -0.151 0.000 1.077 332 K CA 0.048 56.304 56.287 -0.051 0.000 1.051 332 K CB 2.428 35.001 32.500 0.121 0.000 0.907 332 K HN -0.072 nan 8.250 nan 0.000 0.554 333 V N 0.947 120.684 119.914 -0.296 0.000 2.686 333 V HA 0.605 4.718 4.120 -0.011 0.000 0.306 333 V C -1.183 174.810 176.094 -0.168 0.000 1.065 333 V CA -1.243 60.879 62.300 -0.297 0.000 0.894 333 V CB 1.884 33.241 31.823 -0.776 0.000 1.004 333 V HN 0.116 nan 8.190 nan 0.000 0.424 334 A N 5.656 128.432 122.820 -0.072 0.000 2.343 334 A HA 0.932 5.245 4.320 -0.011 0.000 0.316 334 A C -0.994 176.615 177.584 0.040 0.000 1.104 334 A CA -0.489 51.542 52.037 -0.010 0.000 0.768 334 A CB 1.034 19.990 19.000 -0.074 0.000 1.213 334 A HN 0.764 nan 8.150 nan 0.000 0.456 335 I N 1.770 122.407 120.570 0.112 0.000 2.389 335 I HA 0.318 4.481 4.170 -0.011 0.000 0.288 335 I C -0.299 175.916 176.117 0.163 0.000 0.999 335 I CA -0.558 60.819 61.300 0.128 0.000 1.129 335 I CB 1.937 39.990 38.000 0.088 0.000 1.288 335 I HN 0.690 nan 8.210 nan 0.000 0.444 336 Q N 6.831 126.729 119.800 0.163 0.000 2.314 336 Q HA 0.515 4.849 4.340 -0.011 0.000 0.259 336 Q C -1.375 174.636 176.000 0.019 0.000 0.951 336 Q CA -0.274 55.661 55.803 0.220 0.000 0.909 336 Q CB 1.343 30.348 28.738 0.445 0.000 1.236 336 Q HN 0.573 nan 8.270 nan 0.000 0.444 337 L N 3.769 125.038 121.223 0.077 0.000 2.255 337 L HA 0.410 4.743 4.340 -0.011 0.000 0.289 337 L C 0.023 176.922 176.870 0.047 0.000 1.046 337 L CA -0.764 54.107 54.840 0.052 0.000 0.816 337 L CB 0.689 42.826 42.059 0.129 0.000 1.197 337 L HN 0.561 nan 8.230 nan 0.000 0.427 338 N N 3.489 122.135 118.700 -0.090 0.000 2.448 338 N HA 0.102 4.835 4.740 -0.011 0.000 0.250 338 N C -0.209 175.321 175.510 0.035 0.000 1.136 338 N CA 0.468 53.516 53.050 -0.004 0.000 0.953 338 N CB -0.033 38.364 38.487 -0.151 0.000 1.251 338 N HN 0.667 nan 8.380 nan 0.000 0.502 339 D N -0.321 120.192 120.400 0.188 0.000 4.160 339 D HA -0.246 4.387 4.640 -0.011 0.000 0.291 339 D C 0.472 176.870 176.300 0.164 0.000 2.226 339 D CA 1.865 55.951 54.000 0.144 0.000 1.157 339 D CB -0.429 40.194 40.800 -0.295 0.000 1.020 339 D HN 0.508 nan 8.370 nan 0.000 1.219 340 T N -3.089 111.496 114.554 0.052 0.000 3.100 340 T HA 0.078 4.421 4.350 -0.011 0.000 0.253 340 T C 1.532 176.299 174.700 0.111 0.000 1.118 340 T CA 1.524 63.638 62.100 0.024 0.000 1.058 340 T CB -0.525 68.329 68.868 -0.022 0.000 0.953 340 T HN 0.536 nan 8.240 nan 0.000 0.515 341 H N 2.741 121.901 119.070 0.150 0.000 2.357 341 H HA -0.026 4.524 4.556 -0.011 0.000 0.296 341 H C -0.876 174.535 175.328 0.138 0.000 1.108 341 H CA 1.177 57.324 56.048 0.164 0.000 1.273 341 H CB -1.055 28.801 29.762 0.157 0.000 1.367 341 H HN 0.446 nan 8.280 nan 0.000 0.498 342 P HA 0.072 nan 4.420 nan 0.000 0.254 342 P C 0.740 178.078 177.300 0.063 0.000 1.620 342 P CA 0.368 63.539 63.100 0.120 0.000 1.050 342 P CB 0.292 32.050 31.700 0.096 0.000 1.539 343 S N -0.270 115.463 115.700 0.055 0.000 2.440 343 S HA -0.127 4.336 4.470 -0.011 0.000 0.238 343 S C 1.709 176.305 174.600 -0.006 0.000 1.010 343 S CA 0.805 58.999 58.200 -0.011 0.000 0.972 343 S CB -1.473 61.698 63.200 -0.048 0.000 0.774 343 S HN 0.154 nan 8.310 nan 0.000 0.501 344 L N 0.997 122.228 121.223 0.013 0.000 2.549 344 L HA 0.056 4.389 4.340 -0.011 0.000 0.229 344 L C 2.898 179.785 176.870 0.029 0.000 1.158 344 L CA 0.585 55.431 54.840 0.010 0.000 0.842 344 L CB -0.711 41.350 42.059 0.004 0.000 0.952 344 L HN 0.470 nan 8.230 nan 0.000 0.452 345 A N 0.582 123.404 122.820 0.003 0.000 1.940 345 A HA -0.200 4.114 4.320 -0.011 0.000 0.219 345 A C 2.177 179.752 177.584 -0.015 0.000 1.176 345 A CA 1.513 53.538 52.037 -0.019 0.000 0.631 345 A CB -0.464 18.519 19.000 -0.028 0.000 0.814 345 A HN 0.373 nan 8.150 nan 0.000 0.446 346 I N 0.300 120.865 120.570 -0.008 0.000 2.090 346 I HA -0.153 4.010 4.170 -0.011 0.000 0.236 346 I C -0.332 175.804 176.117 0.031 0.000 1.064 346 I CA 1.612 62.910 61.300 -0.004 0.000 1.324 346 I CB -1.109 36.893 38.000 0.004 0.000 1.044 346 I HN 0.243 nan 8.210 nan 0.000 0.399 347 P HA -0.174 nan 4.420 nan 0.000 0.221 347 P C 1.303 178.641 177.300 0.064 0.000 1.150 347 P CA 1.507 64.648 63.100 0.069 0.000 0.800 347 P CB 0.009 31.771 31.700 0.103 0.000 0.787 348 E N 0.207 120.499 120.200 0.153 0.000 2.077 348 E HA -0.161 4.182 4.350 -0.011 0.000 0.193 348 E C 1.913 178.499 176.600 -0.023 0.000 0.989 348 E CA 0.727 57.225 56.400 0.163 0.000 0.800 348 E CB -1.202 28.616 29.700 0.197 0.000 0.746 348 E HN 0.002 nan 8.360 nan 0.000 0.452 349 L N -0.077 121.101 121.223 -0.075 0.000 2.083 349 L HA -0.091 4.242 4.340 -0.011 0.000 0.209 349 L C 2.063 178.795 176.870 -0.229 0.000 1.083 349 L CA 1.674 56.413 54.840 -0.168 0.000 0.752 349 L CB -0.505 41.457 42.059 -0.161 0.000 0.899 349 L HN 0.241 nan 8.230 nan 0.000 0.433 350 M N -0.913 118.568 119.600 -0.198 0.000 2.117 350 M HA -0.205 4.268 4.480 -0.011 0.000 0.262 350 M C 2.419 178.557 176.300 -0.269 0.000 1.065 350 M CA 1.489 56.617 55.300 -0.286 0.000 1.114 350 M CB -1.211 31.200 32.600 -0.315 0.000 1.361 350 M HN 0.312 nan 8.290 nan 0.000 0.408 351 R N 0.051 120.421 120.500 -0.216 0.000 2.083 351 R HA -0.135 4.198 4.340 -0.011 0.000 0.237 351 R C 2.084 178.280 176.300 -0.174 0.000 1.137 351 R CA 1.664 57.636 56.100 -0.213 0.000 0.951 351 R CB -0.179 29.945 30.300 -0.294 0.000 0.851 351 R HN 0.207 nan 8.270 nan 0.000 0.434 352 V N 1.363 121.172 119.914 -0.175 0.000 2.307 352 V HA -0.246 3.867 4.120 -0.011 0.000 0.245 352 V C 2.398 178.330 176.094 -0.269 0.000 1.045 352 V CA 1.688 63.877 62.300 -0.185 0.000 1.024 352 V CB -0.383 31.328 31.823 -0.187 0.000 0.651 352 V HN 0.341 nan 8.190 nan 0.000 0.449 353 L N -0.674 120.330 121.223 -0.365 0.000 2.056 353 L HA -0.122 4.211 4.340 -0.011 0.000 0.207 353 L C 2.397 179.085 176.870 -0.303 0.000 1.078 353 L CA 1.102 55.663 54.840 -0.465 0.000 0.749 353 L CB -0.593 41.147 42.059 -0.532 0.000 0.901 353 L HN 0.204 nan 8.230 nan 0.000 0.433 354 V N -0.503 119.273 119.914 -0.230 0.000 2.300 354 V HA -0.189 3.924 4.120 -0.011 0.000 0.241 354 V C 1.962 178.011 176.094 -0.076 0.000 1.034 354 V CA 1.724 63.949 62.300 -0.126 0.000 1.021 354 V CB -0.354 31.420 31.823 -0.081 0.000 0.662 354 V HN 0.350 nan 8.190 nan 0.000 0.458 355 D N -0.110 120.240 120.400 -0.083 0.000 2.162 355 D HA -0.002 4.631 4.640 -0.011 0.000 0.203 355 D C 1.994 178.264 176.300 -0.049 0.000 0.967 355 D CA 1.139 55.108 54.000 -0.053 0.000 0.840 355 D CB 0.094 40.859 40.800 -0.059 0.000 0.972 355 D HN 0.336 nan 8.370 nan 0.000 0.482 356 L N 0.068 121.247 121.223 -0.073 0.000 2.388 356 L HA 0.138 4.471 4.340 -0.011 0.000 0.209 356 L C 1.797 178.637 176.870 -0.050 0.000 1.061 356 L CA 0.443 55.252 54.840 -0.053 0.000 0.834 356 L CB 0.143 42.171 42.059 -0.052 0.000 1.029 356 L HN -0.193 nan 8.230 nan 0.000 0.473 357 E N 0.342 120.480 120.200 -0.104 0.000 2.447 357 E HA 0.054 4.397 4.350 -0.011 0.000 0.195 357 E C 0.102 176.667 176.600 -0.057 0.000 1.028 357 E CA -0.046 56.301 56.400 -0.089 0.000 0.876 357 E CB 0.419 29.961 29.700 -0.264 0.000 0.885 357 E HN 0.189 nan 8.360 nan 0.000 0.500 358 R N -0.265 120.196 120.500 -0.064 0.000 3.776 358 R HA -0.183 4.150 4.340 -0.011 0.000 0.312 358 R C -0.316 175.970 176.300 -0.023 0.000 1.181 358 R CA 0.236 56.321 56.100 -0.025 0.000 0.836 358 R CB -2.909 27.393 30.300 0.004 0.000 1.324 358 R HN 0.084 nan 8.270 nan 0.000 0.501 359 L N 2.526 123.707 121.223 -0.071 0.000 2.417 359 L HA 0.127 4.460 4.340 -0.011 0.000 0.268 359 L C 1.457 178.316 176.870 -0.018 0.000 1.158 359 L CA 0.308 55.115 54.840 -0.056 0.000 0.819 359 L CB 0.399 42.377 42.059 -0.136 0.000 1.112 359 L HN 0.136 nan 8.230 nan 0.000 0.458 360 D N 1.382 121.797 120.400 0.025 0.000 2.362 360 D HA -0.138 4.495 4.640 -0.011 0.000 0.242 360 D C 0.992 177.357 176.300 0.109 0.000 1.132 360 D CA -0.524 53.525 54.000 0.082 0.000 0.907 360 D CB 0.697 41.551 40.800 0.090 0.000 1.195 360 D HN 0.615 nan 8.370 nan 0.000 0.429 361 W N 1.948 123.250 121.300 0.003 0.000 2.302 361 W HA -0.253 4.400 4.660 -0.011 0.000 0.320 361 W C 1.029 177.590 176.519 0.070 0.000 1.241 361 W CA 2.053 59.406 57.345 0.013 0.000 1.264 361 W CB -0.284 29.163 29.460 -0.020 0.000 1.154 361 W HN 0.463 nan 8.180 nan 0.000 0.483 362 D N 0.142 120.732 120.400 0.317 0.000 2.144 362 D HA -0.187 4.446 4.640 -0.011 0.000 0.199 362 D C 1.884 178.284 176.300 0.167 0.000 0.984 362 D CA 1.834 55.998 54.000 0.274 0.000 0.834 362 D CB -0.428 40.508 40.800 0.227 0.000 0.955 362 D HN 0.081 nan 8.370 nan 0.000 0.465 363 K N 1.141 121.597 120.400 0.092 0.000 2.062 363 K HA 0.047 4.360 4.320 -0.011 0.000 0.205 363 K C 1.837 178.425 176.600 -0.021 0.000 1.051 363 K CA 1.298 57.612 56.287 0.044 0.000 0.941 363 K CB -0.523 31.999 32.500 0.036 0.000 0.719 363 K HN -0.009 nan 8.250 nan 0.000 0.440 364 A N 0.665 123.431 122.820 -0.091 0.000 1.908 364 A HA -0.203 4.110 4.320 -0.011 0.000 0.218 364 A C 2.244 179.732 177.584 -0.159 0.000 1.181 364 A CA 1.587 53.502 52.037 -0.203 0.000 0.627 364 A CB -1.219 17.592 19.000 -0.315 0.000 0.818 364 A HN 0.703 nan 8.150 nan 0.000 0.445 365 W N 0.570 121.666 121.300 -0.340 0.000 2.381 365 W HA -0.153 4.500 4.660 -0.011 0.000 0.301 365 W C 1.980 178.441 176.519 -0.097 0.000 1.205 365 W CA 1.746 58.939 57.345 -0.253 0.000 1.285 365 W CB -0.127 29.215 29.460 -0.196 0.000 1.133 365 W HN 0.618 nan 8.180 nan 0.000 0.521 366 E N 0.159 120.344 120.200 -0.025 0.000 2.058 366 E HA -0.231 4.112 4.350 -0.011 0.000 0.194 366 E C 2.041 178.561 176.600 -0.133 0.000 0.997 366 E CA 2.038 58.390 56.400 -0.081 0.000 0.801 366 E CB -0.304 29.407 29.700 0.018 0.000 0.746 366 E HN 0.057 nan 8.360 nan 0.000 0.450 367 V N 0.719 120.571 119.914 -0.103 0.000 2.295 367 V HA -0.270 3.843 4.120 -0.011 0.000 0.246 367 V C 2.416 178.441 176.094 -0.115 0.000 1.049 367 V CA 2.206 64.463 62.300 -0.071 0.000 1.024 367 V CB -0.869 30.909 31.823 -0.075 0.000 0.648 367 V HN 0.380 nan 8.190 nan 0.000 0.447 368 T N 0.098 114.515 114.554 -0.230 0.000 2.652 368 T HA -0.194 4.150 4.350 -0.011 0.000 0.267 368 T C 1.953 176.469 174.700 -0.305 0.000 1.039 368 T CA 1.852 63.788 62.100 -0.273 0.000 1.153 368 T CB -0.326 68.328 68.868 -0.357 0.000 0.863 368 T HN 0.265 nan 8.240 nan 0.000 0.428 369 V N 1.437 121.054 119.914 -0.495 0.000 2.295 369 V HA -0.186 3.928 4.120 -0.011 0.000 0.246 369 V C 2.398 178.437 176.094 -0.093 0.000 1.049 369 V CA 1.681 63.749 62.300 -0.387 0.000 1.024 369 V CB -0.497 31.015 31.823 -0.518 0.000 0.648 369 V HN 0.477 nan 8.190 nan 0.000 0.447 370 K N -0.438 119.885 120.400 -0.128 0.000 2.280 370 K HA -0.120 4.193 4.320 -0.011 0.000 0.202 370 K C 2.080 178.615 176.600 -0.108 0.000 1.047 370 K CA 1.683 57.867 56.287 -0.170 0.000 0.942 370 K CB -0.266 32.149 32.500 -0.142 0.000 0.739 370 K HN 0.491 nan 8.250 nan 0.000 0.457 371 T N 0.195 114.756 114.554 0.011 0.000 2.937 371 T HA 0.008 4.352 4.350 -0.011 0.000 0.260 371 T C 0.961 175.762 174.700 0.167 0.000 1.051 371 T CA 0.431 62.579 62.100 0.080 0.000 1.141 371 T CB 0.082 69.029 68.868 0.133 0.000 0.879 371 T HN 0.165 nan 8.240 nan 0.000 0.459 372 C N 2.235 121.627 119.300 0.154 0.000 2.365 372 C HA 0.889 5.343 4.460 -0.011 0.000 0.351 372 C C 0.572 175.639 174.990 0.129 0.000 1.240 372 C CA -1.186 57.908 59.018 0.126 0.000 2.062 372 C CB 0.210 27.958 27.740 0.014 0.000 2.387 372 C HN 0.601 nan 8.230 nan 0.000 0.537 373 A N 2.075 124.958 122.820 0.106 0.000 2.539 373 A HA 0.793 5.106 4.320 -0.011 0.000 0.296 373 A C -1.629 176.034 177.584 0.132 0.000 1.073 373 A CA -0.433 51.612 52.037 0.013 0.000 0.700 373 A CB 1.125 20.123 19.000 -0.003 0.000 1.296 373 A HN 0.953 nan 8.150 nan 0.000 0.405 374 Y N 0.891 121.148 120.300 -0.072 0.000 2.361 374 Y HA 0.622 5.165 4.550 -0.011 0.000 0.337 374 Y C -0.629 175.258 175.900 -0.021 0.000 0.965 374 Y CA -0.310 57.760 58.100 -0.051 0.000 1.091 374 Y CB 2.092 40.477 38.460 -0.124 0.000 1.182 374 Y HN 0.566 nan 8.280 nan 0.000 0.450 375 T N 6.544 120.887 114.554 -0.352 0.000 2.756 375 T HA 0.179 4.522 4.350 -0.011 0.000 0.290 375 T C -0.714 173.544 174.700 -0.736 0.000 0.985 375 T CA -0.753 61.087 62.100 -0.434 0.000 0.955 375 T CB 0.317 69.170 68.868 -0.025 0.000 0.930 375 T HN 0.637 nan 8.240 nan 0.000 0.451 376 N N 1.923 120.164 118.700 -0.765 0.000 2.479 376 N HA 0.108 4.841 4.740 -0.011 0.000 0.285 376 N C 0.185 175.585 175.510 -0.183 0.000 1.075 376 N CA -0.256 52.575 53.050 -0.365 0.000 0.967 376 N CB 0.737 39.171 38.487 -0.088 0.000 1.137 376 N HN 0.650 nan 8.380 nan 0.000 0.472 377 H N 1.088 120.186 119.070 0.047 0.000 2.827 377 H HA 0.157 4.706 4.556 -0.012 0.000 0.269 377 H C -0.123 175.126 175.328 -0.132 0.000 1.031 377 H CA 0.128 56.160 56.048 -0.028 0.000 1.202 377 H CB 1.166 30.918 29.762 -0.018 0.000 1.511 377 H HN 0.525 nan 8.280 nan 0.000 0.517 378 T N 0.037 114.614 114.554 0.038 0.000 2.830 378 T HA 0.221 4.564 4.350 -0.011 0.000 0.322 378 T C 0.486 175.201 174.700 0.025 0.000 1.501 378 T CA -0.321 61.745 62.100 -0.058 0.000 1.036 378 T CB 1.234 70.062 68.868 -0.066 0.000 1.379 378 T HN -0.055 nan 8.240 nan 0.000 0.493 379 V N 1.538 121.428 119.914 -0.040 0.000 3.643 379 V HA 0.549 4.662 4.120 -0.011 0.000 0.280 379 V C 0.832 176.883 176.094 -0.071 0.000 1.351 379 V CA 0.012 62.282 62.300 -0.051 0.000 1.073 379 V CB -0.449 31.347 31.823 -0.045 0.000 0.863 379 V HN 0.704 nan 8.190 nan 0.000 0.436 380 L N 3.088 124.256 121.223 -0.091 0.000 2.534 380 L HA 0.176 4.510 4.340 -0.011 0.000 0.271 380 L C -0.567 176.294 176.870 -0.016 0.000 1.178 380 L CA -0.904 53.903 54.840 -0.055 0.000 0.907 380 L CB 0.768 42.772 42.059 -0.092 0.000 1.164 380 L HN 0.149 nan 8.230 nan 0.000 0.482 381 P HA -0.214 nan 4.420 nan 0.000 0.216 381 P C 0.996 178.295 177.300 -0.002 0.000 1.150 381 P CA 1.263 64.358 63.100 -0.008 0.000 0.837 381 P CB 0.040 31.741 31.700 0.002 0.000 0.786 382 E N 0.314 120.543 120.200 0.049 0.000 2.418 382 E HA -0.058 4.285 4.350 -0.011 0.000 0.197 382 E C 1.637 178.235 176.600 -0.003 0.000 1.026 382 E CA 1.090 57.525 56.400 0.059 0.000 0.862 382 E CB -0.724 29.114 29.700 0.229 0.000 0.799 382 E HN 0.196 nan 8.360 nan 0.000 0.518 383 A N 1.344 124.182 122.820 0.030 0.000 2.147 383 A HA 0.216 4.529 4.320 -0.011 0.000 0.211 383 A C 1.372 178.948 177.584 -0.013 0.000 1.160 383 A CA -0.266 51.798 52.037 0.045 0.000 0.781 383 A CB -0.051 18.993 19.000 0.073 0.000 0.842 383 A HN 0.139 nan 8.150 nan 0.000 0.475 384 L N 1.523 122.691 121.223 -0.091 0.000 2.410 384 L HA 0.134 4.467 4.340 -0.011 0.000 0.273 384 L C -0.119 176.428 176.870 -0.539 0.000 1.152 384 L CA 0.001 54.725 54.840 -0.193 0.000 0.855 384 L CB 0.473 42.441 42.059 -0.151 0.000 1.129 384 L HN 0.362 nan 8.230 nan 0.000 0.463 385 E N 4.139 123.950 120.200 -0.649 0.000 2.180 385 E HA 0.263 4.606 4.350 -0.011 0.000 0.283 385 E C -0.614 175.359 176.600 -1.044 0.000 1.061 385 E CA -0.246 55.360 56.400 -1.323 0.000 0.861 385 E CB 0.819 30.114 29.700 -0.675 0.000 1.056 385 E HN 0.394 nan 8.360 nan 0.000 0.407 386 R N 3.571 123.257 120.500 -1.356 0.000 2.472 386 R HA 0.201 4.534 4.340 -0.011 0.000 0.294 386 R C -1.327 174.726 176.300 -0.411 0.000 1.243 386 R CA -0.539 55.203 56.100 -0.598 0.000 1.023 386 R CB 0.859 30.942 30.300 -0.361 0.000 1.157 386 R HN 0.450 nan 8.270 nan 0.000 0.530 387 W N 4.593 125.811 121.300 -0.136 0.000 2.322 387 W HA 0.286 4.939 4.660 -0.011 0.000 0.307 387 W C -1.883 174.602 176.519 -0.056 0.000 1.220 387 W CA -2.174 55.164 57.345 -0.011 0.000 1.210 387 W CB 0.799 30.238 29.460 -0.034 0.000 1.223 387 W HN 0.261 nan 8.180 nan 0.000 0.511 388 P HA -0.099 nan 4.420 nan 0.000 0.263 388 P C 0.832 178.069 177.300 -0.105 0.000 1.195 388 P CA 0.286 63.359 63.100 -0.044 0.000 0.762 388 P CB 0.693 32.209 31.700 -0.308 0.000 0.799 389 V N 3.475 123.380 119.914 -0.015 0.000 2.380 389 V HA -0.297 3.817 4.120 -0.011 0.000 0.251 389 V C 2.161 178.261 176.094 0.010 0.000 1.063 389 V CA 2.597 64.907 62.300 0.017 0.000 1.055 389 V CB -1.663 30.231 31.823 0.118 0.000 0.657 389 V HN 0.763 nan 8.190 nan 0.000 0.455 390 H N -1.063 118.066 119.070 0.098 0.000 2.421 390 H HA -0.111 4.438 4.556 -0.011 0.000 0.298 390 H C 2.035 177.414 175.328 0.085 0.000 1.087 390 H CA 1.734 57.836 56.048 0.089 0.000 1.330 390 H CB -0.650 29.166 29.762 0.090 0.000 1.388 390 H HN 0.358 nan 8.280 nan 0.000 0.526 391 L N -0.030 121.056 121.223 -0.229 0.000 2.017 391 L HA -0.120 4.213 4.340 -0.011 0.000 0.208 391 L C 2.401 179.232 176.870 -0.065 0.000 1.073 391 L CA 1.207 56.007 54.840 -0.066 0.000 0.745 391 L CB -0.282 41.730 42.059 -0.079 0.000 0.894 391 L HN 0.320 nan 8.230 nan 0.000 0.432 392 L N -0.727 120.430 121.223 -0.109 0.000 2.201 392 L HA -0.204 4.129 4.340 -0.011 0.000 0.212 392 L C 2.438 179.246 176.870 -0.102 0.000 1.105 392 L CA 0.911 55.658 54.840 -0.155 0.000 0.775 392 L CB -0.345 41.607 42.059 -0.179 0.000 0.913 392 L HN 0.304 nan 8.230 nan 0.000 0.440 393 E N -0.460 119.724 120.200 -0.026 0.000 2.106 393 E HA -0.181 4.163 4.350 -0.011 0.000 0.192 393 E C 1.861 178.500 176.600 0.065 0.000 0.984 393 E CA 1.707 58.122 56.400 0.025 0.000 0.806 393 E CB 0.203 29.956 29.700 0.089 0.000 0.750 393 E HN 0.410 nan 8.360 nan 0.000 0.458 394 T N 0.534 115.149 114.554 0.101 0.000 2.901 394 T HA -0.047 4.296 4.350 -0.011 0.000 0.252 394 T C 1.689 176.501 174.700 0.187 0.000 1.035 394 T CA 0.504 62.716 62.100 0.186 0.000 1.142 394 T CB -0.119 68.891 68.868 0.237 0.000 0.869 394 T HN 0.058 nan 8.240 nan 0.000 0.442 395 L N 0.117 121.354 121.223 0.023 0.000 2.131 395 L HA 0.332 4.665 4.340 -0.011 0.000 0.206 395 L C 0.430 177.245 176.870 -0.091 0.000 1.087 395 L CA 1.619 56.361 54.840 -0.163 0.000 0.767 395 L CB -0.013 41.913 42.059 -0.223 0.000 0.917 395 L HN 0.183 nan 8.230 nan 0.000 0.441 396 L N 0.511 121.639 121.223 -0.159 0.000 2.551 396 L HA 0.277 4.610 4.340 -0.011 0.000 0.248 396 L C -1.710 174.969 176.870 -0.319 0.000 1.509 396 L CA -0.904 53.746 54.840 -0.316 0.000 0.842 396 L CB 0.915 42.658 42.059 -0.528 0.000 1.087 396 L HN -0.058 nan 8.230 nan 0.000 0.512 397 P HA -0.188 nan 4.420 nan 0.000 0.216 397 P C 1.456 178.558 177.300 -0.330 0.000 1.150 397 P CA 1.099 64.073 63.100 -0.210 0.000 0.837 397 P CB 0.388 32.042 31.700 -0.077 0.000 0.786 398 R N -0.120 119.999 120.500 -0.635 0.000 2.092 398 R HA -0.130 4.203 4.340 -0.011 0.000 0.231 398 R C 2.278 178.264 176.300 -0.524 0.000 1.119 398 R CA 1.652 57.380 56.100 -0.620 0.000 0.970 398 R CB -1.659 28.094 30.300 -0.913 0.000 0.864 398 R HN 0.256 nan 8.270 nan 0.000 0.440 399 H N -0.450 118.310 119.070 -0.517 0.000 2.423 399 H HA -0.014 4.535 4.556 -0.011 0.000 0.297 399 H C 1.783 176.935 175.328 -0.292 0.000 1.075 399 H CA 1.490 57.319 56.048 -0.366 0.000 1.342 399 H CB -0.051 29.463 29.762 -0.414 0.000 1.395 399 H HN 0.076 nan 8.280 nan 0.000 0.530 400 L N 0.558 121.650 121.223 -0.219 0.000 2.017 400 L HA -0.254 4.080 4.340 -0.011 0.000 0.208 400 L C 1.931 178.599 176.870 -0.337 0.000 1.073 400 L CA 1.646 56.285 54.840 -0.335 0.000 0.745 400 L CB -0.323 41.555 42.059 -0.302 0.000 0.894 400 L HN 0.458 nan 8.230 nan 0.000 0.432 401 Q N -0.290 119.421 119.800 -0.149 0.000 2.096 401 Q HA -0.256 4.077 4.340 -0.011 0.000 0.204 401 Q C 2.148 178.159 176.000 0.019 0.000 0.982 401 Q CA 1.773 57.579 55.803 0.003 0.000 0.850 401 Q CB -0.174 28.570 28.738 0.009 0.000 0.901 401 Q HN 0.562 nan 8.270 nan 0.000 0.422 402 I N 0.393 120.956 120.570 -0.012 0.000 2.252 402 I HA -0.267 3.896 4.170 -0.011 0.000 0.245 402 I C 2.190 178.378 176.117 0.119 0.000 1.102 402 I CA 1.000 62.376 61.300 0.127 0.000 1.385 402 I CB -0.167 37.866 38.000 0.055 0.000 1.064 402 I HN 0.180 nan 8.210 nan 0.000 0.414 403 I N -0.442 120.118 120.570 -0.018 0.000 2.226 403 I HA -0.322 3.841 4.170 -0.011 0.000 0.245 403 I C 2.416 178.547 176.117 0.023 0.000 1.100 403 I CA 1.470 62.747 61.300 -0.037 0.000 1.374 403 I CB -0.423 37.487 38.000 -0.149 0.000 1.057 403 I HN 0.157 nan 8.210 nan 0.000 0.413 404 Y N 0.847 121.150 120.300 0.004 0.000 2.181 404 Y HA -0.273 4.270 4.550 -0.011 0.000 0.288 404 Y C 2.611 178.475 175.900 -0.060 0.000 1.146 404 Y CA 1.558 59.646 58.100 -0.019 0.000 1.164 404 Y CB -0.784 37.658 38.460 -0.030 0.000 0.982 404 Y HN 0.205 nan 8.280 nan 0.000 0.515 405 E N 0.313 120.548 120.200 0.059 0.000 2.106 405 E HA -0.125 4.218 4.350 -0.011 0.000 0.192 405 E C 2.060 178.572 176.600 -0.146 0.000 0.984 405 E CA 1.102 57.396 56.400 -0.176 0.000 0.806 405 E CB -0.513 28.911 29.700 -0.459 0.000 0.750 405 E HN 0.471 nan 8.360 nan 0.000 0.458 406 I N 0.654 121.244 120.570 0.032 0.000 2.226 406 I HA -0.277 3.886 4.170 -0.011 0.000 0.245 406 I C 2.235 178.358 176.117 0.009 0.000 1.100 406 I CA 1.337 62.618 61.300 -0.032 0.000 1.374 406 I CB -0.358 37.633 38.000 -0.015 0.000 1.057 406 I HN 0.204 nan 8.210 nan 0.000 0.413 407 N N 0.675 119.424 118.700 0.081 0.000 2.084 407 N HA -0.260 4.473 4.740 -0.011 0.000 0.190 407 N C 1.852 177.444 175.510 0.136 0.000 1.030 407 N CA 1.496 54.640 53.050 0.156 0.000 0.849 407 N CB -0.124 38.474 38.487 0.186 0.000 1.012 407 N HN 0.305 nan 8.380 nan 0.000 0.423 408 Q N 0.119 119.945 119.800 0.044 0.000 2.030 408 Q HA -0.134 4.199 4.340 -0.011 0.000 0.204 408 Q C 2.033 178.018 176.000 -0.026 0.000 0.986 408 Q CA 1.610 57.404 55.803 -0.016 0.000 0.843 408 Q CB -0.025 28.662 28.738 -0.085 0.000 0.904 408 Q HN 0.351 nan 8.270 nan 0.000 0.420 409 R N -0.746 119.715 120.500 -0.066 0.000 2.120 409 R HA -0.130 4.203 4.340 -0.011 0.000 0.234 409 R C 2.161 178.484 176.300 0.038 0.000 1.123 409 R CA 1.300 57.360 56.100 -0.067 0.000 0.975 409 R CB -0.353 29.853 30.300 -0.156 0.000 0.866 409 R HN 0.296 nan 8.270 nan 0.000 0.446 410 F N 1.314 121.237 119.950 -0.045 0.000 2.113 410 F HA -0.082 4.438 4.527 -0.011 0.000 0.297 410 F C 1.803 177.622 175.800 0.033 0.000 1.103 410 F CA 1.314 59.333 58.000 0.033 0.000 1.248 410 F CB -0.120 38.930 39.000 0.083 0.000 0.999 410 F HN -0.120 nan 8.300 nan 0.000 0.475 411 L N -0.073 121.162 121.223 0.021 0.000 2.201 411 L HA -0.196 4.137 4.340 -0.011 0.000 0.212 411 L C 1.948 178.755 176.870 -0.105 0.000 1.105 411 L CA 1.308 56.102 54.840 -0.077 0.000 0.775 411 L CB -0.848 41.227 42.059 0.027 0.000 0.913 411 L HN 0.233 nan 8.230 nan 0.000 0.440 412 N N -0.051 118.602 118.700 -0.077 0.000 2.166 412 N HA -0.160 4.573 4.740 -0.011 0.000 0.186 412 N C 1.881 177.334 175.510 -0.094 0.000 1.019 412 N CA 0.817 53.822 53.050 -0.074 0.000 0.856 412 N CB 0.012 38.463 38.487 -0.061 0.000 0.993 412 N HN 0.307 nan 8.380 nan 0.000 0.426 413 R N 0.444 120.866 120.500 -0.130 0.000 2.090 413 R HA -0.010 4.323 4.340 -0.011 0.000 0.228 413 R C 2.142 178.336 176.300 -0.176 0.000 1.110 413 R CA 0.706 56.722 56.100 -0.140 0.000 0.973 413 R CB -0.230 29.990 30.300 -0.133 0.000 0.869 413 R HN 0.081 nan 8.270 nan 0.000 0.440 414 V N 1.067 120.832 119.914 -0.248 0.000 2.358 414 V HA -0.210 3.903 4.120 -0.011 0.000 0.246 414 V C 2.438 178.527 176.094 -0.007 0.000 1.047 414 V CA 1.943 64.162 62.300 -0.134 0.000 1.035 414 V CB -0.674 31.007 31.823 -0.237 0.000 0.658 414 V HN 0.381 nan 8.190 nan 0.000 0.452 415 A N -0.003 122.786 122.820 -0.052 0.000 1.972 415 A HA -0.107 4.206 4.320 -0.011 0.000 0.219 415 A C 2.354 179.913 177.584 -0.042 0.000 1.169 415 A CA 2.078 54.100 52.037 -0.026 0.000 0.635 415 A CB -0.619 18.358 19.000 -0.038 0.000 0.810 415 A HN 0.576 nan 8.150 nan 0.000 0.446 416 A N -0.692 122.083 122.820 -0.076 0.000 1.970 416 A HA 0.358 4.671 4.320 -0.011 0.000 0.216 416 A C 2.347 179.835 177.584 -0.161 0.000 1.170 416 A CA 1.556 53.535 52.037 -0.097 0.000 0.645 416 A CB -0.611 18.336 19.000 -0.088 0.000 0.816 416 A HN 0.922 nan 8.150 nan 0.000 0.447 417 A N -1.490 121.186 122.820 -0.240 0.000 1.975 417 A HA 0.383 4.696 4.320 -0.011 0.000 0.215 417 A C 0.418 177.523 177.584 -0.799 0.000 1.170 417 A CA 0.523 52.234 52.037 -0.543 0.000 0.656 417 A CB -0.151 18.441 19.000 -0.680 0.000 0.821 417 A HN 0.415 nan 8.150 nan 0.000 0.449 418 F N 0.130 120.033 119.950 -0.078 0.000 2.622 418 F HA 0.348 4.868 4.527 -0.011 0.000 0.338 418 F C -2.810 172.953 175.800 -0.061 0.000 1.334 418 F CA -2.869 55.089 58.000 -0.069 0.000 1.179 418 F CB 0.798 39.750 39.000 -0.081 0.000 1.471 418 F HN -0.063 nan 8.300 nan 0.000 0.576 419 P HA 0.242 nan 4.420 nan 0.000 0.267 419 P C 1.007 178.325 177.300 0.030 0.000 1.205 419 P CA 0.801 63.911 63.100 0.016 0.000 0.765 419 P CB 1.066 32.756 31.700 -0.015 0.000 0.828 420 G N 2.442 111.254 108.800 0.018 0.000 2.225 420 G HA2 -0.240 3.713 3.960 -0.011 0.000 0.254 420 G HA3 -0.240 3.713 3.960 -0.011 0.000 0.254 420 G C 0.323 175.232 174.900 0.015 0.000 0.988 420 G CA 0.037 45.145 45.100 0.013 0.000 0.625 420 G HN 0.609 nan 8.290 nan 0.000 0.527 421 D N 1.567 121.984 120.400 0.029 0.000 2.551 421 D HA 0.383 5.016 4.640 -0.011 0.000 0.223 421 D C 2.117 178.410 176.300 -0.011 0.000 1.144 421 D CA 0.401 54.406 54.000 0.008 0.000 1.025 421 D CB 0.348 41.154 40.800 0.011 0.000 1.085 421 D HN 0.586 nan 8.370 nan 0.000 0.506 422 V N 0.659 120.567 119.914 -0.010 0.000 2.515 422 V HA -0.156 3.957 4.120 -0.011 0.000 0.250 422 V C 1.792 177.876 176.094 -0.017 0.000 1.058 422 V CA 1.553 63.846 62.300 -0.011 0.000 1.064 422 V CB -0.517 31.302 31.823 -0.007 0.000 0.675 422 V HN 0.226 nan 8.190 nan 0.000 0.461 423 D N 0.172 120.559 120.400 -0.023 0.000 2.183 423 D HA -0.124 4.510 4.640 -0.011 0.000 0.203 423 D C 2.333 178.608 176.300 -0.041 0.000 0.969 423 D CA 1.029 55.015 54.000 -0.023 0.000 0.842 423 D CB -0.142 40.645 40.800 -0.022 0.000 0.957 423 D HN 0.414 nan 8.370 nan 0.000 0.484 424 R N -0.020 120.434 120.500 -0.078 0.000 2.091 424 R HA -0.112 4.221 4.340 -0.011 0.000 0.238 424 R C 2.208 178.446 176.300 -0.104 0.000 1.136 424 R CA 0.989 57.008 56.100 -0.135 0.000 0.959 424 R CB -0.292 29.873 30.300 -0.225 0.000 0.856 424 R HN 0.247 nan 8.270 nan 0.000 0.437 425 L N 0.515 121.700 121.223 -0.064 0.000 2.043 425 L HA -0.229 4.104 4.340 -0.011 0.000 0.212 425 L C 2.739 179.615 176.870 0.010 0.000 1.075 425 L CA 1.935 56.756 54.840 -0.032 0.000 0.752 425 L CB -0.481 41.568 42.059 -0.017 0.000 0.891 425 L HN 0.300 nan 8.230 nan 0.000 0.432 426 R N 0.202 120.712 120.500 0.016 0.000 2.119 426 R HA -0.079 4.254 4.340 -0.011 0.000 0.222 426 R C 2.164 178.513 176.300 0.081 0.000 1.088 426 R CA 1.040 57.170 56.100 0.049 0.000 0.984 426 R CB -0.364 29.958 30.300 0.037 0.000 0.884 426 R HN 0.179 nan 8.270 nan 0.000 0.447 427 R N -0.140 120.392 120.500 0.052 0.000 2.115 427 R HA 0.119 4.452 4.340 -0.011 0.000 0.226 427 R C 1.903 178.284 176.300 0.134 0.000 1.100 427 R CA 1.651 57.807 56.100 0.093 0.000 0.980 427 R CB -0.117 30.202 30.300 0.032 0.000 0.875 427 R HN 0.332 nan 8.270 nan 0.000 0.445 428 M N -0.040 119.567 119.600 0.011 0.000 2.465 428 M HA 0.058 4.531 4.480 -0.011 0.000 0.249 428 M C 0.781 177.221 176.300 0.233 0.000 1.130 428 M CA -0.030 55.217 55.300 -0.090 0.000 1.067 428 M CB 0.585 32.980 32.600 -0.342 0.000 1.394 428 M HN -0.097 nan 8.290 nan 0.000 0.483 429 S N 1.235 117.086 115.700 0.253 0.000 2.552 429 S HA 0.058 4.521 4.470 -0.011 0.000 0.289 429 S C 1.149 175.988 174.600 0.399 0.000 1.304 429 S CA -0.246 58.128 58.200 0.291 0.000 1.063 429 S CB 0.526 63.844 63.200 0.196 0.000 0.848 429 S HN 0.373 nan 8.310 nan 0.000 0.499 430 L N 4.312 125.728 121.223 0.322 0.000 2.291 430 L HA 0.085 4.419 4.340 -0.011 0.000 0.214 430 L C 0.356 177.331 176.870 0.174 0.000 1.120 430 L CA 0.316 55.307 54.840 0.252 0.000 0.799 430 L CB -0.505 41.644 42.059 0.150 0.000 0.925 430 L HN 0.410 nan 8.230 nan 0.000 0.446 431 V N 0.910 120.940 119.914 0.192 0.000 2.383 431 V HA 0.159 4.272 4.120 -0.011 0.000 0.275 431 V C 0.135 176.314 176.094 0.142 0.000 1.036 431 V CA -0.573 61.830 62.300 0.172 0.000 0.889 431 V CB 1.313 33.273 31.823 0.229 0.000 0.985 431 V HN 0.178 nan 8.190 nan 0.000 0.459 432 E N 3.329 123.592 120.200 0.105 0.000 2.200 432 E HA 0.397 4.740 4.350 -0.011 0.000 0.283 432 E C -0.689 175.959 176.600 0.081 0.000 1.015 432 E CA -0.528 55.924 56.400 0.086 0.000 0.819 432 E CB 1.749 31.479 29.700 0.050 0.000 1.081 432 E HN 0.606 nan 8.360 nan 0.000 0.397 433 E N 0.891 121.135 120.200 0.074 0.000 2.283 433 E HA 0.649 4.992 4.350 -0.011 0.000 0.267 433 E C 0.076 176.709 176.600 0.055 0.000 1.045 433 E CA 0.174 56.612 56.400 0.064 0.000 0.884 433 E CB 1.627 31.359 29.700 0.053 0.000 1.106 433 E HN 0.640 nan 8.360 nan 0.000 0.408 434 G N -0.097 108.734 108.800 0.053 0.000 2.350 434 G HA2 0.286 4.239 3.960 -0.011 0.000 0.276 434 G HA3 0.286 4.239 3.960 -0.011 0.000 0.276 434 G C 0.396 175.326 174.900 0.051 0.000 1.313 434 G CA 0.112 45.240 45.100 0.047 0.000 0.903 434 G HN 0.571 nan 8.290 nan 0.000 0.490 435 A N -0.932 121.917 122.820 0.048 0.000 1.870 435 A HA 0.241 4.554 4.320 -0.011 0.000 0.219 435 A C 1.668 179.293 177.584 0.068 0.000 1.224 435 A CA 3.849 55.917 52.037 0.050 0.000 0.650 435 A CB -1.318 17.710 19.000 0.046 0.000 0.836 435 A HN 2.309 nan 8.150 nan 0.000 0.454 436 V N -3.328 116.637 119.914 0.085 0.000 2.495 436 V HA 0.531 4.644 4.120 -0.011 0.000 0.298 436 V C -0.396 175.764 176.094 0.111 0.000 1.031 436 V CA -1.432 60.941 62.300 0.122 0.000 0.871 436 V CB 1.482 33.406 31.823 0.168 0.000 0.988 436 V HN 0.313 nan 8.190 nan 0.000 0.432 437 K N 3.894 124.368 120.400 0.124 0.000 2.401 437 K HA 0.450 4.763 4.320 -0.011 0.000 0.278 437 K C -0.342 176.321 176.600 0.105 0.000 1.018 437 K CA -0.078 56.278 56.287 0.115 0.000 0.981 437 K CB 0.804 33.386 32.500 0.136 0.000 0.933 437 K HN 0.725 nan 8.250 nan 0.000 0.477 438 R N 1.806 122.355 120.500 0.083 0.000 2.795 438 R HA 0.453 4.786 4.340 -0.011 0.000 0.275 438 R C -0.588 175.743 176.300 0.050 0.000 0.981 438 R CA -1.009 55.125 56.100 0.057 0.000 0.917 438 R CB 1.362 31.674 30.300 0.020 0.000 1.202 438 R HN 0.379 nan 8.270 nan 0.000 0.469 439 I N 2.090 122.685 120.570 0.042 0.000 2.315 439 I HA 0.147 4.310 4.170 -0.011 0.000 0.291 439 I C -0.019 176.073 176.117 -0.041 0.000 1.006 439 I CA -0.674 60.639 61.300 0.022 0.000 1.265 439 I CB 0.985 38.998 38.000 0.022 0.000 1.387 439 I HN 0.482 nan 8.210 nan 0.000 0.475 440 N N 7.130 125.779 118.700 -0.086 0.000 2.415 440 N HA 0.119 4.852 4.740 -0.011 0.000 0.246 440 N C 0.726 176.126 175.510 -0.184 0.000 1.078 440 N CA -0.314 52.603 53.050 -0.222 0.000 0.942 440 N CB 1.030 39.254 38.487 -0.439 0.000 1.140 440 N HN 0.381 nan 8.380 nan 0.000 0.501 441 M N 2.341 121.835 119.600 -0.177 0.000 2.349 441 M HA -0.002 4.471 4.480 -0.011 0.000 0.266 441 M C 1.907 178.059 176.300 -0.246 0.000 1.076 441 M CA 0.529 55.746 55.300 -0.139 0.000 1.126 441 M CB -1.461 31.109 32.600 -0.050 0.000 1.392 441 M HN 0.590 nan 8.290 nan 0.000 0.440 442 A N -0.183 122.484 122.820 -0.255 0.000 1.902 442 A HA -0.178 4.136 4.320 -0.011 0.000 0.217 442 A C 1.978 179.319 177.584 -0.405 0.000 1.181 442 A CA 1.528 53.373 52.037 -0.321 0.000 0.623 442 A CB -1.132 17.884 19.000 0.027 0.000 0.818 442 A HN 0.591 nan 8.150 nan 0.000 0.443 443 H N -1.111 117.732 119.070 -0.378 0.000 2.357 443 H HA -0.013 4.536 4.556 -0.011 0.000 0.301 443 H C 2.135 177.241 175.328 -0.370 0.000 1.082 443 H CA 0.887 56.679 56.048 -0.426 0.000 1.342 443 H CB -0.068 29.659 29.762 -0.059 0.000 1.389 443 H HN 0.360 nan 8.280 nan 0.000 0.511 444 L N 0.490 121.631 121.223 -0.137 0.000 2.012 444 L HA -0.248 4.085 4.340 -0.011 0.000 0.210 444 L C 2.280 179.017 176.870 -0.222 0.000 1.073 444 L CA 1.413 56.169 54.840 -0.139 0.000 0.748 444 L CB -0.440 41.562 42.059 -0.094 0.000 0.891 444 L HN 0.461 nan 8.230 nan 0.000 0.431 445 C N 0.001 119.068 119.300 -0.387 0.000 2.413 445 C HA -0.188 4.265 4.460 -0.011 0.000 0.276 445 C C 2.663 177.405 174.990 -0.415 0.000 1.248 445 C CA 0.694 59.403 59.018 -0.516 0.000 1.742 445 C CB -0.790 26.259 27.740 -1.152 0.000 2.017 445 C HN 0.516 nan 8.230 nan 0.000 0.481 446 I N 1.366 121.646 120.570 -0.484 0.000 2.202 446 I HA -0.189 3.974 4.170 -0.011 0.000 0.242 446 I C 2.750 178.736 176.117 -0.218 0.000 1.091 446 I CA 1.629 62.694 61.300 -0.392 0.000 1.368 446 I CB -0.559 37.069 38.000 -0.621 0.000 1.058 446 I HN 0.262 nan 8.210 nan 0.000 0.410 447 A N 0.561 123.227 122.820 -0.257 0.000 1.933 447 A HA -0.117 4.197 4.320 -0.011 0.000 0.218 447 A C 2.251 179.896 177.584 0.102 0.000 1.175 447 A CA 1.936 53.873 52.037 -0.167 0.000 0.628 447 A CB -1.210 17.476 19.000 -0.524 0.000 0.814 447 A HN 0.484 nan 8.150 nan 0.000 0.444 448 G N -1.325 107.469 108.800 -0.009 0.000 3.189 448 G HA2 0.396 4.349 3.960 -0.011 0.000 0.225 448 G HA3 0.396 4.349 3.960 -0.011 0.000 0.225 448 G C 0.215 174.960 174.900 -0.258 0.000 1.159 448 G CA 0.542 45.523 45.100 -0.199 0.000 0.763 448 G HN 0.370 nan 8.290 nan 0.000 0.549 449 S N -0.351 115.255 115.700 -0.157 0.000 2.568 449 S HA 0.339 4.802 4.470 -0.011 0.000 0.302 449 S C 0.753 175.312 174.600 -0.068 0.000 1.082 449 S CA -0.693 57.442 58.200 -0.108 0.000 1.009 449 S CB 1.292 64.430 63.200 -0.104 0.000 1.069 449 S HN 0.499 nan 8.310 nan 0.000 0.500 450 H N -0.202 118.832 119.070 -0.059 0.000 2.551 450 H HA 0.503 5.053 4.556 -0.011 0.000 0.266 450 H C 0.107 175.424 175.328 -0.018 0.000 0.964 450 H CA 0.245 56.284 56.048 -0.014 0.000 1.180 450 H CB 0.136 29.903 29.762 0.007 0.000 1.408 450 H HN 0.506 nan 8.280 nan 0.000 0.563 451 A N 1.019 123.533 122.820 -0.510 0.000 2.488 451 A HA 0.566 4.879 4.320 -0.011 0.000 0.298 451 A C -1.409 175.970 177.584 -0.341 0.000 1.044 451 A CA -0.574 51.214 52.037 -0.415 0.000 0.693 451 A CB 2.265 20.980 19.000 -0.476 0.000 1.272 451 A HN 0.093 nan 8.150 nan 0.000 0.402 452 V N 3.977 123.653 119.914 -0.397 0.000 2.531 452 V HA 0.558 4.671 4.120 -0.011 0.000 0.301 452 V C -0.802 175.104 176.094 -0.312 0.000 1.034 452 V CA -0.766 61.300 62.300 -0.390 0.000 0.865 452 V CB 1.893 33.345 31.823 -0.618 0.000 0.995 452 V HN 1.018 nan 8.190 nan 0.000 0.424 453 N N 3.075 121.612 118.700 -0.272 0.000 2.225 453 N HA 0.587 5.320 4.740 -0.011 0.000 0.298 453 N C -0.270 175.134 175.510 -0.176 0.000 1.076 453 N CA -0.362 52.569 53.050 -0.199 0.000 0.792 453 N CB 2.840 41.186 38.487 -0.236 0.000 1.498 453 N HN 0.648 nan 8.380 nan 0.000 0.474 454 G N -0.617 108.110 108.800 -0.122 0.000 2.535 454 G HA2 0.420 4.373 3.960 -0.011 0.000 0.303 454 G HA3 0.420 4.373 3.960 -0.011 0.000 0.303 454 G C 0.769 175.719 174.900 0.082 0.000 1.237 454 G CA -0.418 44.652 45.100 -0.050 0.000 0.986 454 G HN 0.652 nan 8.290 nan 0.000 0.494 455 V N -3.926 116.162 119.914 0.290 0.000 3.380 455 V HA 0.702 4.815 4.120 -0.011 0.000 0.307 455 V C 0.543 176.721 176.094 0.141 0.000 1.434 455 V CA 0.418 62.805 62.300 0.146 0.000 1.075 455 V CB -0.698 31.159 31.823 0.056 0.000 0.954 455 V HN 1.340 nan 8.190 nan 0.000 0.444 456 A N -0.017 122.897 122.820 0.156 0.000 2.605 456 A HA 0.644 4.958 4.320 -0.011 0.000 0.294 456 A C 0.694 178.328 177.584 0.083 0.000 1.062 456 A CA -0.092 52.012 52.037 0.113 0.000 0.682 456 A CB 1.198 20.255 19.000 0.095 0.000 1.278 456 A HN 0.022 nan 8.150 nan 0.000 0.410 457 R N 0.687 121.216 120.500 0.048 0.000 2.096 457 R HA -0.165 4.168 4.340 -0.011 0.000 0.240 457 R C 1.634 177.933 176.300 -0.002 0.000 1.139 457 R CA 2.316 58.422 56.100 0.010 0.000 0.952 457 R CB -0.233 30.069 30.300 0.004 0.000 0.854 457 R HN 0.815 nan 8.270 nan 0.000 0.436 458 I N 0.172 120.751 120.570 0.015 0.000 2.315 458 I HA -0.278 3.885 4.170 -0.011 0.000 0.248 458 I C 2.333 178.462 176.117 0.021 0.000 1.117 458 I CA 1.770 63.072 61.300 0.003 0.000 1.404 458 I CB -0.216 37.785 38.000 0.001 0.000 1.071 458 I HN 0.339 nan 8.210 nan 0.000 0.419 459 H N 0.289 119.331 119.070 -0.046 0.000 2.326 459 H HA -0.105 4.444 4.556 -0.012 0.000 0.301 459 H C 2.259 177.554 175.328 -0.054 0.000 1.081 459 H CA 2.129 58.145 56.048 -0.054 0.000 1.334 459 H CB -0.274 29.461 29.762 -0.044 0.000 1.385 459 H HN 0.228 nan 8.280 nan 0.000 0.504 460 S N 0.425 116.001 115.700 -0.207 0.000 2.382 460 S HA -0.136 4.327 4.470 -0.011 0.000 0.228 460 S C 1.898 176.378 174.600 -0.201 0.000 1.027 460 S CA 1.281 59.342 58.200 -0.232 0.000 0.991 460 S CB -0.087 63.046 63.200 -0.113 0.000 0.823 460 S HN 0.497 nan 8.310 nan 0.000 0.469 461 E N 1.098 121.205 120.200 -0.156 0.000 2.072 461 E HA -0.014 4.329 4.350 -0.011 0.000 0.191 461 E C 2.044 178.534 176.600 -0.183 0.000 0.985 461 E CA 0.648 56.947 56.400 -0.168 0.000 0.801 461 E CB -0.396 29.236 29.700 -0.114 0.000 0.750 461 E HN 0.505 nan 8.360 nan 0.000 0.452 462 I N 1.056 121.536 120.570 -0.151 0.000 2.264 462 I HA -0.285 3.878 4.170 -0.011 0.000 0.248 462 I C 2.394 178.394 176.117 -0.194 0.000 1.111 462 I CA 0.851 62.066 61.300 -0.140 0.000 1.382 462 I CB -0.219 37.733 38.000 -0.080 0.000 1.060 462 I HN 0.063 nan 8.210 nan 0.000 0.418 463 L N 0.268 121.342 121.223 -0.249 0.000 2.083 463 L HA -0.220 4.113 4.340 -0.011 0.000 0.209 463 L C 2.420 179.173 176.870 -0.194 0.000 1.083 463 L CA 1.506 56.212 54.840 -0.223 0.000 0.752 463 L CB -0.547 41.446 42.059 -0.111 0.000 0.899 463 L HN 0.215 nan 8.230 nan 0.000 0.433 464 K N -0.261 119.947 120.400 -0.319 0.000 2.228 464 K HA -0.069 4.244 4.320 -0.011 0.000 0.202 464 K C 1.970 178.373 176.600 -0.329 0.000 1.051 464 K CA 0.705 56.666 56.287 -0.544 0.000 0.960 464 K CB 0.142 32.077 32.500 -0.941 0.000 0.743 464 K HN 0.265 nan 8.250 nan 0.000 0.458 465 K N 0.046 120.312 120.400 -0.223 0.000 2.242 465 K HA -0.009 4.304 4.320 -0.011 0.000 0.200 465 K C 1.920 178.467 176.600 -0.089 0.000 1.050 465 K CA 1.312 57.519 56.287 -0.134 0.000 0.981 465 K CB 0.541 32.970 32.500 -0.118 0.000 0.795 465 K HN 0.230 nan 8.250 nan 0.000 0.477 466 T N -0.991 113.501 114.554 -0.104 0.000 3.330 466 T HA 0.060 4.404 4.350 -0.011 0.000 0.185 466 T C 1.991 176.644 174.700 -0.078 0.000 0.874 466 T CA 0.041 62.092 62.100 -0.083 0.000 1.268 466 T CB -0.810 68.004 68.868 -0.090 0.000 1.866 466 T HN 0.096 nan 8.240 nan 0.000 0.395 467 I N -0.744 119.720 120.570 -0.177 0.000 2.264 467 I HA 0.143 4.306 4.170 -0.011 0.000 0.248 467 I C 1.574 177.660 176.117 -0.051 0.000 1.111 467 I CA 1.503 62.666 61.300 -0.230 0.000 1.382 467 I CB -0.712 36.983 38.000 -0.508 0.000 1.060 467 I HN 0.246 nan 8.210 nan 0.000 0.418 468 F N 0.875 120.894 119.950 0.115 0.000 2.708 468 F HA 0.330 4.850 4.527 -0.012 0.000 0.300 468 F C 2.037 177.924 175.800 0.145 0.000 1.118 468 F CA -0.621 57.513 58.000 0.223 0.000 1.307 468 F CB 0.109 39.240 39.000 0.218 0.000 0.986 468 F HN -0.073 nan 8.300 nan 0.000 0.522 469 K N 1.076 121.591 120.400 0.192 0.000 2.044 469 K HA -0.220 4.093 4.320 -0.011 0.000 0.210 469 K C 1.336 177.993 176.600 0.095 0.000 1.049 469 K CA 2.237 58.578 56.287 0.090 0.000 0.927 469 K CB -0.026 32.491 32.500 0.028 0.000 0.713 469 K HN 0.155 nan 8.250 nan 0.000 0.443 470 D N -0.021 120.413 120.400 0.056 0.000 2.104 470 D HA -0.175 4.458 4.640 -0.011 0.000 0.194 470 D C 1.833 178.057 176.300 -0.127 0.000 0.994 470 D CA 1.327 55.236 54.000 -0.151 0.000 0.830 470 D CB -0.389 40.227 40.800 -0.305 0.000 0.959 470 D HN 0.246 nan 8.370 nan 0.000 0.452 471 F N -0.204 119.817 119.950 0.119 0.000 2.146 471 F HA -0.153 4.367 4.527 -0.011 0.000 0.298 471 F C 2.365 178.308 175.800 0.237 0.000 1.096 471 F CA 0.603 58.749 58.000 0.243 0.000 1.275 471 F CB -0.691 38.516 39.000 0.344 0.000 1.008 471 F HN -0.025 nan 8.300 nan 0.000 0.480 472 Y N 1.281 121.571 120.300 -0.017 0.000 2.224 472 Y HA -0.194 4.350 4.550 -0.011 0.000 0.289 472 Y C 2.092 177.975 175.900 -0.028 0.000 1.146 472 Y CA 1.597 59.508 58.100 -0.315 0.000 1.182 472 Y CB -0.564 37.505 38.460 -0.651 0.000 0.983 472 Y HN 0.143 nan 8.280 nan 0.000 0.524 473 E N -0.455 119.693 120.200 -0.087 0.000 2.106 473 E HA -0.175 4.168 4.350 -0.011 0.000 0.192 473 E C 1.979 178.640 176.600 0.102 0.000 0.984 473 E CA 1.109 57.470 56.400 -0.066 0.000 0.806 473 E CB -0.245 29.439 29.700 -0.027 0.000 0.750 473 E HN 0.425 nan 8.360 nan 0.000 0.458 474 L N 1.068 122.387 121.223 0.161 0.000 2.044 474 L HA -0.065 4.268 4.340 -0.011 0.000 0.205 474 L C 0.273 177.228 176.870 0.142 0.000 1.075 474 L CA 1.748 56.720 54.840 0.220 0.000 0.747 474 L CB 0.312 42.489 42.059 0.197 0.000 0.903 474 L HN -0.094 nan 8.230 nan 0.000 0.435 475 E N -0.041 120.240 120.200 0.135 0.000 3.374 475 E HA 0.186 4.529 4.350 -0.011 0.000 0.223 475 E C -1.986 174.561 176.600 -0.088 0.000 1.210 475 E CA -1.301 55.107 56.400 0.013 0.000 0.987 475 E CB 0.811 30.529 29.700 0.029 0.000 1.322 475 E HN 0.234 nan 8.360 nan 0.000 0.404 476 P HA -0.241 nan 4.420 nan 0.000 0.217 476 P C 1.248 178.632 177.300 0.141 0.000 1.150 476 P CA 1.395 64.389 63.100 -0.178 0.000 0.832 476 P CB -0.058 31.447 31.700 -0.325 0.000 0.787 477 H N 0.039 119.211 119.070 0.170 0.000 2.489 477 H HA 0.034 4.583 4.556 -0.011 0.000 0.293 477 H C 1.701 177.121 175.328 0.154 0.000 1.066 477 H CA 0.900 57.038 56.048 0.150 0.000 1.305 477 H CB -0.645 29.176 29.762 0.098 0.000 1.386 477 H HN 0.154 nan 8.280 nan 0.000 0.551 478 K N 0.178 120.448 120.400 -0.217 0.000 2.288 478 K HA 0.028 4.342 4.320 -0.011 0.000 0.201 478 K C -0.298 176.153 176.600 -0.247 0.000 1.048 478 K CA 0.111 56.268 56.287 -0.218 0.000 0.956 478 K CB 0.138 32.407 32.500 -0.385 0.000 0.746 478 K HN 0.060 nan 8.250 nan 0.000 0.461 479 F N 1.398 121.369 119.950 0.035 0.000 2.411 479 F HA 0.244 4.764 4.527 -0.012 0.000 0.350 479 F C 0.239 176.039 175.800 -0.001 0.000 1.114 479 F CA -0.361 57.664 58.000 0.042 0.000 1.135 479 F CB 1.304 40.387 39.000 0.138 0.000 1.120 479 F HN -0.102 nan 8.300 nan 0.000 0.495 480 Q N 1.863 121.692 119.800 0.048 0.000 2.528 480 Q HA 0.344 4.677 4.340 -0.011 0.000 0.289 480 Q C -1.208 174.752 176.000 -0.067 0.000 1.091 480 Q CA -1.252 54.532 55.803 -0.031 0.000 0.797 480 Q CB 3.156 31.820 28.738 -0.124 0.000 1.466 480 Q HN 0.603 nan 8.270 nan 0.000 0.436 481 N N 0.823 119.468 118.700 -0.091 0.000 2.361 481 N HA 0.255 4.988 4.740 -0.011 0.000 0.302 481 N C -1.373 174.042 175.510 -0.158 0.000 1.074 481 N CA -0.376 52.616 53.050 -0.098 0.000 0.850 481 N CB 0.964 39.416 38.487 -0.059 0.000 1.228 481 N HN 0.297 nan 8.380 nan 0.000 0.491 482 K N 2.822 123.130 120.400 -0.153 0.000 2.675 482 K HA 0.177 4.491 4.320 -0.011 0.000 0.224 482 K C -0.893 175.722 176.600 0.023 0.000 1.003 482 K CA -0.494 55.687 56.287 -0.178 0.000 1.034 482 K CB 1.204 33.383 32.500 -0.534 0.000 1.218 482 K HN 0.542 nan 8.250 nan 0.000 0.507 483 T N 2.112 116.697 114.554 0.051 0.000 2.908 483 T HA 0.018 4.362 4.350 -0.011 0.000 0.301 483 T C 0.778 175.609 174.700 0.218 0.000 1.019 483 T CA 0.461 62.641 62.100 0.134 0.000 1.152 483 T CB 0.208 69.157 68.868 0.135 0.000 0.966 483 T HN 0.362 nan 8.240 nan 0.000 0.540 484 N N 0.635 119.482 118.700 0.245 0.000 2.340 484 N HA 0.403 5.137 4.740 -0.011 0.000 0.236 484 N C 0.485 176.183 175.510 0.313 0.000 1.296 484 N CA -0.185 53.041 53.050 0.293 0.000 0.896 484 N CB 0.400 39.004 38.487 0.195 0.000 1.127 484 N HN 0.759 nan 8.380 nan 0.000 0.442 485 G N -0.585 108.410 108.800 0.325 0.000 2.682 485 G HA2 0.618 4.571 3.960 -0.011 0.000 0.290 485 G HA3 0.618 4.571 3.960 -0.011 0.000 0.290 485 G C -1.357 173.687 174.900 0.239 0.000 1.425 485 G CA -0.735 44.543 45.100 0.297 0.000 0.807 485 G HN 0.599 nan 8.290 nan 0.000 0.482 486 I N -2.361 118.336 120.570 0.212 0.000 2.828 486 I HA 0.750 4.913 4.170 -0.011 0.000 0.302 486 I C -0.204 176.082 176.117 0.281 0.000 1.101 486 I CA -0.959 60.468 61.300 0.210 0.000 1.031 486 I CB 2.480 40.504 38.000 0.040 0.000 1.231 486 I HN 0.483 nan 8.210 nan 0.000 0.427 487 T N 4.229 119.002 114.554 0.365 0.000 2.761 487 T HA 0.352 4.695 4.350 -0.011 0.000 0.296 487 T C -1.403 173.412 174.700 0.192 0.000 0.934 487 T CA -1.611 60.620 62.100 0.217 0.000 1.091 487 T CB 0.712 69.648 68.868 0.113 0.000 0.896 487 T HN 0.628 nan 8.240 nan 0.000 0.515 488 P HA 0.027 nan 4.420 nan 0.000 0.234 488 P C 1.076 178.339 177.300 -0.063 0.000 1.167 488 P CA 0.362 63.495 63.100 0.056 0.000 0.763 488 P CB 0.347 32.062 31.700 0.023 0.000 0.835 489 R N 0.356 120.772 120.500 -0.140 0.000 2.056 489 R HA 0.018 4.351 4.340 -0.011 0.000 0.227 489 R C 2.690 178.863 176.300 -0.210 0.000 1.149 489 R CA 1.484 57.458 56.100 -0.211 0.000 0.937 489 R CB -1.184 28.993 30.300 -0.205 0.000 0.835 489 R HN 0.041 nan 8.270 nan 0.000 0.430 490 R N -0.786 119.525 120.500 -0.314 0.000 2.081 490 R HA -0.123 4.210 4.340 -0.011 0.000 0.235 490 R C 1.123 177.072 176.300 -0.585 0.000 1.131 490 R CA 1.694 57.450 56.100 -0.574 0.000 0.960 490 R CB -0.167 29.578 30.300 -0.925 0.000 0.856 490 R HN 0.302 nan 8.270 nan 0.000 0.436 491 W N -0.403 120.855 121.300 -0.070 0.000 3.353 491 W HA 0.148 4.801 4.660 -0.012 0.000 0.304 491 W C 1.016 177.506 176.519 -0.050 0.000 1.273 491 W CA -0.707 56.596 57.345 -0.070 0.000 1.773 491 W CB 0.412 29.836 29.460 -0.061 0.000 1.095 491 W HN 0.219 nan 8.180 nan 0.000 0.676 492 L N -2.143 119.136 121.223 0.093 0.000 2.865 492 L HA 0.184 4.517 4.340 -0.011 0.000 0.167 492 L C 1.823 178.707 176.870 0.023 0.000 1.135 492 L CA 0.788 55.676 54.840 0.079 0.000 0.895 492 L CB -0.854 41.276 42.059 0.118 0.000 1.643 492 L HN -0.248 nan 8.230 nan 0.000 0.518 493 V N 1.098 121.000 119.914 -0.020 0.000 2.287 493 V HA -0.276 3.837 4.120 -0.011 0.000 0.248 493 V C 2.445 178.512 176.094 -0.045 0.000 1.053 493 V CA 2.462 64.743 62.300 -0.032 0.000 1.027 493 V CB -0.720 31.056 31.823 -0.078 0.000 0.646 493 V HN 0.516 nan 8.190 nan 0.000 0.447 494 L N 0.496 121.664 121.223 -0.092 0.000 2.027 494 L HA -0.183 4.150 4.340 -0.011 0.000 0.206 494 L C 2.476 179.287 176.870 -0.099 0.000 1.074 494 L CA 2.432 57.203 54.840 -0.115 0.000 0.745 494 L CB -0.262 41.679 42.059 -0.196 0.000 0.898 494 L HN 0.654 nan 8.230 nan 0.000 0.433 495 C N -1.864 117.376 119.300 -0.100 0.000 2.590 495 C HA 0.216 4.669 4.460 -0.011 0.000 0.272 495 C C 1.260 176.239 174.990 -0.019 0.000 1.338 495 C CA -0.234 58.745 59.018 -0.066 0.000 1.746 495 C CB -0.946 26.760 27.740 -0.056 0.000 2.020 495 C HN 0.601 nan 8.230 nan 0.000 0.531 496 N N 1.259 119.958 118.700 -0.002 0.000 2.723 496 N HA 0.293 5.026 4.740 -0.011 0.000 0.290 496 N C -1.689 173.835 175.510 0.022 0.000 1.882 496 N CA -1.733 51.326 53.050 0.016 0.000 0.851 496 N CB 0.638 39.143 38.487 0.030 0.000 1.234 496 N HN 0.253 nan 8.380 nan 0.000 0.491 497 P HA -0.076 nan 4.420 nan 0.000 0.216 497 P C 1.425 178.741 177.300 0.028 0.000 1.150 497 P CA 1.036 64.148 63.100 0.019 0.000 0.837 497 P CB 0.151 31.855 31.700 0.007 0.000 0.786 498 G N 0.395 109.207 108.800 0.020 0.000 2.440 498 G HA2 -0.251 3.702 3.960 -0.011 0.000 0.218 498 G HA3 -0.251 3.702 3.960 -0.011 0.000 0.218 498 G C 1.529 176.440 174.900 0.020 0.000 1.154 498 G CA 0.729 45.839 45.100 0.016 0.000 0.767 498 G HN 0.264 nan 8.290 nan 0.000 0.552 499 L N 1.023 122.261 121.223 0.025 0.000 2.095 499 L HA 0.373 4.707 4.340 -0.011 0.000 0.204 499 L C 3.023 179.930 176.870 0.062 0.000 1.080 499 L CA 1.848 56.704 54.840 0.027 0.000 0.759 499 L CB -0.697 41.377 42.059 0.025 0.000 0.914 499 L HN 0.203 nan 8.230 nan 0.000 0.439 500 A N -0.692 122.185 122.820 0.094 0.000 1.978 500 A HA -0.252 4.061 4.320 -0.011 0.000 0.220 500 A C 2.227 179.912 177.584 0.168 0.000 1.170 500 A CA 1.850 53.994 52.037 0.178 0.000 0.636 500 A CB -0.599 18.496 19.000 0.158 0.000 0.810 500 A HN 0.556 nan 8.150 nan 0.000 0.448 501 E N 0.596 120.855 120.200 0.097 0.000 2.072 501 E HA -0.117 4.226 4.350 -0.011 0.000 0.190 501 E C 1.811 178.451 176.600 0.067 0.000 0.982 501 E CA 1.381 57.828 56.400 0.077 0.000 0.803 501 E CB -0.491 29.237 29.700 0.047 0.000 0.755 501 E HN 0.740 nan 8.360 nan 0.000 0.453 502 I N -1.710 118.896 120.570 0.059 0.000 2.493 502 I HA -0.101 4.063 4.170 -0.011 0.000 0.254 502 I C 2.075 178.258 176.117 0.110 0.000 1.160 502 I CA 0.982 62.328 61.300 0.077 0.000 1.445 502 I CB -0.309 37.724 38.000 0.054 0.000 1.086 502 I HN 0.009 nan 8.210 nan 0.000 0.433 503 I N 1.968 122.580 120.570 0.069 0.000 2.233 503 I HA -0.176 3.987 4.170 -0.011 0.000 0.243 503 I C 2.983 179.043 176.117 -0.095 0.000 1.093 503 I CA 1.343 62.604 61.300 -0.064 0.000 1.380 503 I CB -0.454 37.393 38.000 -0.255 0.000 1.067 503 I HN 0.290 nan 8.210 nan 0.000 0.413 504 A N 0.308 123.169 122.820 0.069 0.000 1.972 504 A HA -0.213 4.100 4.320 -0.011 0.000 0.219 504 A C 2.156 179.768 177.584 0.047 0.000 1.169 504 A CA 1.501 53.628 52.037 0.150 0.000 0.635 504 A CB -0.574 18.554 19.000 0.213 0.000 0.810 504 A HN 0.440 nan 8.150 nan 0.000 0.446 505 E N -0.656 119.553 120.200 0.014 0.000 2.118 505 E HA -0.207 4.136 4.350 -0.011 0.000 0.195 505 E C 2.213 178.773 176.600 -0.067 0.000 0.992 505 E CA 1.107 57.500 56.400 -0.011 0.000 0.804 505 E CB -0.051 29.649 29.700 -0.001 0.000 0.741 505 E HN 0.413 nan 8.360 nan 0.000 0.458 506 R N 0.134 120.533 120.500 -0.168 0.000 2.075 506 R HA 0.056 4.389 4.340 -0.011 0.000 0.220 506 R C 2.348 178.553 176.300 -0.159 0.000 1.118 506 R CA 0.955 56.869 56.100 -0.309 0.000 0.986 506 R CB -0.402 29.385 30.300 -0.855 0.000 0.884 506 R HN 0.342 nan 8.270 nan 0.000 0.439 507 I N -3.304 117.190 120.570 -0.126 0.000 4.154 507 I HA 0.452 4.615 4.170 -0.011 0.000 0.334 507 I C 0.502 176.652 176.117 0.055 0.000 1.371 507 I CA 0.144 61.425 61.300 -0.033 0.000 1.110 507 I CB 0.769 38.730 38.000 -0.066 0.000 1.085 507 I HN 0.182 nan 8.210 nan 0.000 0.398 508 G N 2.000 110.844 108.800 0.075 0.000 2.660 508 G HA2 -0.218 3.735 3.960 -0.011 0.000 0.215 508 G HA3 -0.218 3.735 3.960 -0.011 0.000 0.215 508 G C -0.016 175.022 174.900 0.230 0.000 1.345 508 G CA 0.218 45.389 45.100 0.118 0.000 0.877 508 G HN 0.396 nan 8.290 nan 0.000 0.549 509 E N -0.477 119.811 120.200 0.147 0.000 2.460 509 E HA 0.079 4.422 4.350 -0.011 0.000 0.200 509 E C 1.945 178.506 176.600 -0.064 0.000 1.011 509 E CA -0.016 56.417 56.400 0.054 0.000 0.912 509 E CB 0.185 29.904 29.700 0.032 0.000 0.953 509 E HN 0.482 nan 8.360 nan 0.000 0.494 510 E N 0.507 120.736 120.200 0.049 0.000 2.209 510 E HA -0.194 4.149 4.350 -0.011 0.000 0.196 510 E C 1.768 178.367 176.600 -0.000 0.000 0.993 510 E CA 0.948 57.367 56.400 0.030 0.000 0.819 510 E CB -0.033 29.706 29.700 0.066 0.000 0.745 510 E HN 0.498 nan 8.360 nan 0.000 0.477 511 Y N -0.958 119.349 120.300 0.011 0.000 2.333 511 Y HA -0.061 4.483 4.550 -0.010 0.000 0.290 511 Y C 1.978 177.860 175.900 -0.030 0.000 1.144 511 Y CA 0.573 58.672 58.100 -0.003 0.000 1.228 511 Y CB -0.816 37.645 38.460 0.001 0.000 0.985 511 Y HN -0.094 nan 8.280 nan 0.000 0.542 512 I N 1.014 121.093 120.570 -0.819 0.000 2.335 512 I HA -0.258 3.905 4.170 -0.011 0.000 0.251 512 I C 1.730 177.596 176.117 -0.418 0.000 1.129 512 I CA 1.915 62.793 61.300 -0.703 0.000 1.402 512 I CB -0.408 37.096 38.000 -0.828 0.000 1.069 512 I HN 0.465 nan 8.210 nan 0.000 0.424 513 S N -1.901 113.656 115.700 -0.238 0.000 2.601 513 S HA 0.193 4.656 4.470 -0.011 0.000 0.244 513 S C 0.117 174.701 174.600 -0.026 0.000 1.001 513 S CA -0.482 57.659 58.200 -0.100 0.000 0.984 513 S CB 0.270 63.482 63.200 0.020 0.000 0.842 513 S HN 0.291 nan 8.310 nan 0.000 0.474 514 D N 0.649 121.041 120.400 -0.013 0.000 2.934 514 D HA 0.208 4.841 4.640 -0.011 0.000 0.249 514 D C 0.257 176.601 176.300 0.073 0.000 1.293 514 D CA -0.355 53.664 54.000 0.030 0.000 0.812 514 D CB 0.387 41.210 40.800 0.038 0.000 1.439 514 D HN 0.116 nan 8.370 nan 0.000 0.555 515 L N 1.296 122.562 121.223 0.071 0.000 2.353 515 L HA 0.004 4.337 4.340 -0.011 0.000 0.220 515 L C 1.509 178.434 176.870 0.091 0.000 1.133 515 L CA 1.477 56.389 54.840 0.121 0.000 0.798 515 L CB -0.031 42.092 42.059 0.107 0.000 0.922 515 L HN 0.270 nan 8.230 nan 0.000 0.445 516 D N -0.629 119.801 120.400 0.050 0.000 2.182 516 D HA -0.238 4.395 4.640 -0.011 0.000 0.201 516 D C 1.903 178.226 176.300 0.037 0.000 0.986 516 D CA 1.006 55.021 54.000 0.025 0.000 0.847 516 D CB 0.007 40.809 40.800 0.004 0.000 0.942 516 D HN 0.534 nan 8.370 nan 0.000 0.467 517 Q N 0.030 119.869 119.800 0.064 0.000 2.449 517 Q HA -0.101 4.233 4.340 -0.011 0.000 0.214 517 Q C 2.276 178.295 176.000 0.031 0.000 0.986 517 Q CA 0.272 56.114 55.803 0.064 0.000 0.893 517 Q CB -0.072 28.733 28.738 0.111 0.000 0.940 517 Q HN 0.408 nan 8.270 nan 0.000 0.477 518 L N 0.040 121.277 121.223 0.024 0.000 2.265 518 L HA -0.186 4.147 4.340 -0.011 0.000 0.215 518 L C 2.272 179.138 176.870 -0.007 0.000 1.117 518 L CA 0.847 55.668 54.840 -0.031 0.000 0.782 518 L CB -0.320 41.735 42.059 -0.006 0.000 0.914 518 L HN 0.217 nan 8.230 nan 0.000 0.441 519 R N 0.326 120.832 120.500 0.011 0.000 2.127 519 R HA -0.178 4.155 4.340 -0.011 0.000 0.238 519 R C 2.064 178.372 176.300 0.013 0.000 1.134 519 R CA 1.060 57.168 56.100 0.013 0.000 0.975 519 R CB -0.222 30.082 30.300 0.007 0.000 0.865 519 R HN 0.398 nan 8.270 nan 0.000 0.447 520 K N 0.631 121.038 120.400 0.011 0.000 2.360 520 K HA -0.116 4.197 4.320 -0.011 0.000 0.201 520 K C 1.831 178.477 176.600 0.077 0.000 1.046 520 K CA 0.858 57.162 56.287 0.028 0.000 0.940 520 K CB -0.096 32.425 32.500 0.034 0.000 0.748 520 K HN 0.240 nan 8.250 nan 0.000 0.465 521 L N 0.484 121.732 121.223 0.041 0.000 2.465 521 L HA -0.126 4.207 4.340 -0.011 0.000 0.224 521 L C 1.816 178.752 176.870 0.110 0.000 1.145 521 L CA 0.022 54.897 54.840 0.059 0.000 0.834 521 L CB -0.224 41.832 42.059 -0.005 0.000 0.944 521 L HN 0.117 nan 8.230 nan 0.000 0.451 522 L N 0.043 121.301 121.223 0.059 0.000 2.131 522 L HA -0.177 4.156 4.340 -0.011 0.000 0.210 522 L C 2.689 179.549 176.870 -0.017 0.000 1.092 522 L CA 1.889 56.749 54.840 0.033 0.000 0.759 522 L CB -0.995 41.070 42.059 0.011 0.000 0.903 522 L HN 0.351 nan 8.230 nan 0.000 0.435 523 S N -2.689 112.953 115.700 -0.097 0.000 2.607 523 S HA -0.079 4.384 4.470 -0.011 0.000 0.224 523 S C 1.213 175.536 174.600 -0.462 0.000 0.969 523 S CA 0.258 58.291 58.200 -0.277 0.000 0.927 523 S CB -0.533 62.450 63.200 -0.361 0.000 0.772 523 S HN 0.462 nan 8.310 nan 0.000 0.533 524 Y N -0.390 119.841 120.300 -0.115 0.000 2.531 524 Y HA 0.437 4.985 4.550 -0.003 0.000 0.249 524 Y C 1.913 177.857 175.900 0.073 0.000 1.168 524 Y CA -0.591 57.438 58.100 -0.119 0.000 1.226 524 Y CB 0.156 38.316 38.460 -0.500 0.000 1.177 524 Y HN 0.235 nan 8.280 nan 0.000 0.527 525 V N 0.424 120.434 119.914 0.160 0.000 2.594 525 V HA -0.214 3.899 4.120 -0.011 0.000 0.253 525 V C 1.126 177.296 176.094 0.126 0.000 1.069 525 V CA 2.268 64.665 62.300 0.161 0.000 1.082 525 V CB 0.008 31.886 31.823 0.092 0.000 0.680 525 V HN 0.368 nan 8.190 nan 0.000 0.469 526 D N -0.748 119.703 120.400 0.085 0.000 2.369 526 D HA 0.076 4.709 4.640 -0.011 0.000 0.211 526 D C 0.448 176.798 176.300 0.083 0.000 1.077 526 D CA 0.018 54.056 54.000 0.064 0.000 0.842 526 D CB 0.089 40.903 40.800 0.024 0.000 0.947 526 D HN 0.436 nan 8.370 nan 0.000 0.509 527 D N 1.580 122.064 120.400 0.140 0.000 2.338 527 D HA -0.031 4.602 4.640 -0.011 0.000 0.255 527 D C 1.128 177.538 176.300 0.183 0.000 1.237 527 D CA 0.044 54.149 54.000 0.174 0.000 0.883 527 D CB 1.484 42.456 40.800 0.287 0.000 1.087 527 D HN -0.146 nan 8.370 nan 0.000 0.485 528 E N 3.155 123.425 120.200 0.117 0.000 2.153 528 E HA -0.140 4.203 4.350 -0.011 0.000 0.194 528 E C 1.750 178.404 176.600 0.091 0.000 0.988 528 E CA 1.302 57.755 56.400 0.087 0.000 0.811 528 E CB 0.067 29.800 29.700 0.056 0.000 0.746 528 E HN 0.584 nan 8.360 nan 0.000 0.466 529 A N -0.146 122.744 122.820 0.116 0.000 1.873 529 A HA -0.149 4.165 4.320 -0.011 0.000 0.215 529 A C 2.181 179.850 177.584 0.141 0.000 1.186 529 A CA 1.338 53.441 52.037 0.110 0.000 0.616 529 A CB -0.977 18.091 19.000 0.113 0.000 0.823 529 A HN 0.462 nan 8.150 nan 0.000 0.442 530 F N 0.443 120.413 119.950 0.033 0.000 2.102 530 F HA -0.170 4.350 4.527 -0.010 0.000 0.298 530 F C 2.052 177.862 175.800 0.016 0.000 1.105 530 F CA 1.710 59.716 58.000 0.010 0.000 1.239 530 F CB -0.140 38.877 39.000 0.030 0.000 0.991 530 F HN 0.172 nan 8.300 nan 0.000 0.474 531 I N 0.288 120.877 120.570 0.033 0.000 2.151 531 I HA -0.381 3.782 4.170 -0.011 0.000 0.243 531 I C 2.605 178.664 176.117 -0.097 0.000 1.080 531 I CA 1.846 63.113 61.300 -0.055 0.000 1.339 531 I CB -0.526 37.494 38.000 0.034 0.000 1.039 531 I HN 0.122 nan 8.210 nan 0.000 0.409 532 R N 0.808 121.279 120.500 -0.048 0.000 2.096 532 R HA -0.191 4.143 4.340 -0.011 0.000 0.235 532 R C 1.838 178.089 176.300 -0.081 0.000 1.127 532 R CA 1.892 57.963 56.100 -0.047 0.000 0.968 532 R CB -0.127 30.165 30.300 -0.013 0.000 0.861 532 R HN 0.302 nan 8.270 nan 0.000 0.440 533 D N -0.275 120.056 120.400 -0.115 0.000 2.123 533 D HA -0.106 4.527 4.640 -0.011 0.000 0.200 533 D C 1.956 178.134 176.300 -0.202 0.000 0.976 533 D CA 1.142 55.062 54.000 -0.133 0.000 0.831 533 D CB -0.156 40.584 40.800 -0.100 0.000 0.974 533 D HN 0.079 nan 8.370 nan 0.000 0.469 534 V N 1.546 121.248 119.914 -0.354 0.000 2.287 534 V HA -0.257 3.856 4.120 -0.011 0.000 0.248 534 V C 2.519 178.526 176.094 -0.145 0.000 1.053 534 V CA 1.987 64.097 62.300 -0.316 0.000 1.027 534 V CB -0.807 30.752 31.823 -0.440 0.000 0.646 534 V HN 0.193 nan 8.190 nan 0.000 0.447 535 A N -0.654 122.099 122.820 -0.111 0.000 1.969 535 A HA -0.217 4.096 4.320 -0.011 0.000 0.218 535 A C 2.348 179.897 177.584 -0.058 0.000 1.169 535 A CA 1.927 53.930 52.037 -0.057 0.000 0.635 535 A CB -0.435 18.535 19.000 -0.049 0.000 0.810 535 A HN 0.530 nan 8.150 nan 0.000 0.445 536 K N -0.129 120.231 120.400 -0.066 0.000 2.025 536 K HA -0.083 4.230 4.320 -0.011 0.000 0.207 536 K C 1.831 178.406 176.600 -0.042 0.000 1.049 536 K CA 1.583 57.840 56.287 -0.050 0.000 0.933 536 K CB -0.274 32.199 32.500 -0.046 0.000 0.714 536 K HN 0.217 nan 8.250 nan 0.000 0.438 537 V N 1.849 121.733 119.914 -0.050 0.000 2.287 537 V HA -0.259 3.854 4.120 -0.011 0.000 0.248 537 V C 2.418 178.500 176.094 -0.021 0.000 1.053 537 V CA 2.066 64.347 62.300 -0.033 0.000 1.027 537 V CB -0.493 31.306 31.823 -0.040 0.000 0.646 537 V HN 0.366 nan 8.190 nan 0.000 0.447 538 K N 0.382 120.768 120.400 -0.024 0.000 2.009 538 K HA -0.252 4.061 4.320 -0.011 0.000 0.210 538 K C 2.185 178.761 176.600 -0.039 0.000 1.049 538 K CA 1.971 58.251 56.287 -0.013 0.000 0.929 538 K CB -0.590 31.916 32.500 0.010 0.000 0.714 538 K HN 0.375 nan 8.250 nan 0.000 0.440 539 Q N 0.909 120.678 119.800 -0.052 0.000 2.084 539 Q HA -0.128 4.205 4.340 -0.011 0.000 0.202 539 Q C 1.751 177.731 176.000 -0.034 0.000 0.978 539 Q CA 2.051 57.813 55.803 -0.067 0.000 0.844 539 Q CB -0.115 28.586 28.738 -0.061 0.000 0.898 539 Q HN 0.512 nan 8.270 nan 0.000 0.426 540 E N -0.491 119.701 120.200 -0.013 0.000 2.085 540 E HA -0.191 4.153 4.350 -0.011 0.000 0.194 540 E C 1.753 178.375 176.600 0.037 0.000 0.994 540 E CA 1.118 57.524 56.400 0.011 0.000 0.801 540 E CB -0.108 29.597 29.700 0.008 0.000 0.743 540 E HN 0.402 nan 8.360 nan 0.000 0.453 541 N N 0.869 119.588 118.700 0.032 0.000 2.120 541 N HA -0.134 4.599 4.740 -0.011 0.000 0.188 541 N C 1.496 177.081 175.510 0.125 0.000 1.024 541 N CA 1.071 54.161 53.050 0.067 0.000 0.852 541 N CB -0.090 38.422 38.487 0.042 0.000 1.003 541 N HN 0.139 nan 8.380 nan 0.000 0.424 542 K N 0.452 120.883 120.400 0.051 0.000 2.097 542 K HA 0.038 4.351 4.320 -0.011 0.000 0.205 542 K C 2.070 178.781 176.600 0.186 0.000 1.050 542 K CA 0.570 56.886 56.287 0.048 0.000 0.938 542 K CB -0.104 32.152 32.500 -0.407 0.000 0.718 542 K HN 0.108 nan 8.250 nan 0.000 0.442 543 L N 1.159 122.443 121.223 0.103 0.000 2.056 543 L HA -0.169 4.164 4.340 -0.011 0.000 0.207 543 L C 2.605 179.570 176.870 0.157 0.000 1.078 543 L CA 1.261 56.171 54.840 0.118 0.000 0.749 543 L CB -0.268 41.830 42.059 0.065 0.000 0.901 543 L HN 0.137 nan 8.230 nan 0.000 0.433 544 K N -0.365 120.132 120.400 0.162 0.000 2.097 544 K HA -0.215 4.098 4.320 -0.011 0.000 0.205 544 K C 2.179 178.930 176.600 0.251 0.000 1.050 544 K CA 1.442 57.832 56.287 0.172 0.000 0.938 544 K CB -0.080 32.504 32.500 0.140 0.000 0.718 544 K HN 0.097 nan 8.250 nan 0.000 0.442 545 F N 1.103 121.157 119.950 0.173 0.000 2.206 545 F HA -0.017 4.504 4.527 -0.011 0.000 0.298 545 F C 1.987 177.945 175.800 0.264 0.000 1.090 545 F CA 1.121 59.253 58.000 0.220 0.000 1.323 545 F CB -0.291 38.841 39.000 0.221 0.000 1.028 545 F HN 0.042 nan 8.300 nan 0.000 0.492 546 A N 0.238 123.234 122.820 0.293 0.000 1.933 546 A HA -0.073 4.241 4.320 -0.011 0.000 0.218 546 A C 2.381 180.000 177.584 0.058 0.000 1.175 546 A CA 1.719 53.860 52.037 0.173 0.000 0.628 546 A CB -1.440 17.727 19.000 0.277 0.000 0.814 546 A HN 0.449 nan 8.150 nan 0.000 0.444 547 A N -1.543 121.328 122.820 0.086 0.000 1.897 547 A HA -0.059 4.254 4.320 -0.011 0.000 0.215 547 A C 2.112 179.704 177.584 0.013 0.000 1.181 547 A CA 1.479 53.548 52.037 0.053 0.000 0.620 547 A CB -0.814 18.232 19.000 0.077 0.000 0.821 547 A HN 0.742 nan 8.150 nan 0.000 0.443 548 Y N 0.644 120.881 120.300 -0.105 0.000 2.165 548 Y HA -0.201 4.342 4.550 -0.011 0.000 0.286 548 Y C 1.907 177.699 175.900 -0.181 0.000 1.155 548 Y CA 1.891 59.904 58.100 -0.145 0.000 1.164 548 Y CB -0.218 38.145 38.460 -0.161 0.000 0.978 548 Y HN 0.220 nan 8.280 nan 0.000 0.513 549 L N -0.042 121.031 121.223 -0.250 0.000 2.046 549 L HA -0.198 4.135 4.340 -0.011 0.000 0.208 549 L C 2.432 179.195 176.870 -0.179 0.000 1.077 549 L CA 1.689 56.393 54.840 -0.227 0.000 0.747 549 L CB -0.544 41.370 42.059 -0.241 0.000 0.896 549 L HN 0.313 nan 8.230 nan 0.000 0.432 550 E N -0.181 119.924 120.200 -0.158 0.000 2.072 550 E HA -0.187 4.156 4.350 -0.011 0.000 0.191 550 E C 2.341 178.842 176.600 -0.165 0.000 0.985 550 E CA 0.869 57.180 56.400 -0.149 0.000 0.801 550 E CB 0.054 29.713 29.700 -0.068 0.000 0.750 550 E HN 0.436 nan 8.360 nan 0.000 0.452 551 R N 0.672 121.057 120.500 -0.192 0.000 2.061 551 R HA -0.129 4.204 4.340 -0.011 0.000 0.230 551 R C 2.147 178.257 176.300 -0.317 0.000 1.140 551 R CA 1.294 57.269 56.100 -0.209 0.000 0.940 551 R CB -0.103 30.088 30.300 -0.181 0.000 0.839 551 R HN -0.018 nan 8.270 nan 0.000 0.429 552 E N -1.223 118.655 120.200 -0.537 0.000 2.299 552 E HA -0.048 4.295 4.350 -0.011 0.000 0.193 552 E C 0.208 176.259 176.600 -0.916 0.000 0.998 552 E CA 0.855 56.779 56.400 -0.795 0.000 0.851 552 E CB 0.421 29.407 29.700 -1.190 0.000 0.795 552 E HN 0.359 nan 8.360 nan 0.000 0.492 553 Y N -0.659 119.483 120.300 -0.263 0.000 2.728 553 Y HA 0.251 4.794 4.550 -0.012 0.000 0.256 553 Y C -0.186 175.614 175.900 -0.166 0.000 1.112 553 Y CA -0.689 57.305 58.100 -0.176 0.000 1.240 553 Y CB 0.757 39.121 38.460 -0.159 0.000 1.337 553 Y HN -0.276 nan 8.280 nan 0.000 0.559 554 K N 0.691 121.031 120.400 -0.099 0.000 3.156 554 K HA -0.143 4.170 4.320 -0.011 0.000 0.266 554 K C -0.477 175.959 176.600 -0.273 0.000 0.966 554 K CA 0.878 57.067 56.287 -0.164 0.000 0.719 554 K CB -2.201 30.241 32.500 -0.098 0.000 1.333 554 K HN 0.279 nan 8.250 nan 0.000 0.468 555 V N -2.219 117.528 119.914 -0.279 0.000 2.540 555 V HA 0.528 4.641 4.120 -0.011 0.000 0.302 555 V C 0.129 176.021 176.094 -0.337 0.000 1.035 555 V CA -1.053 61.068 62.300 -0.298 0.000 0.873 555 V CB 1.687 33.436 31.823 -0.123 0.000 0.992 555 V HN 0.306 nan 8.190 nan 0.000 0.428 556 H N 5.158 124.226 119.070 -0.002 0.000 2.517 556 H HA 0.814 5.363 4.556 -0.012 0.000 0.317 556 H C 0.015 175.343 175.328 -0.000 0.000 1.080 556 H CA -0.254 55.796 56.048 0.004 0.000 1.301 556 H CB 1.548 31.317 29.762 0.012 0.000 1.425 556 H HN 0.941 nan 8.280 nan 0.000 0.471 557 I N -0.580 120.066 120.570 0.126 0.000 2.865 557 I HA 0.439 4.602 4.170 -0.011 0.000 0.302 557 I C -0.647 175.558 176.117 0.146 0.000 1.140 557 I CA -1.399 59.960 61.300 0.098 0.000 1.021 557 I CB 2.275 40.298 38.000 0.039 0.000 1.233 557 I HN 0.351 nan 8.210 nan 0.000 0.427 558 N N 4.841 123.628 118.700 0.145 0.000 2.401 558 N HA 0.389 5.122 4.740 -0.011 0.000 0.255 558 N C -2.012 173.643 175.510 0.242 0.000 1.110 558 N CA -2.334 50.806 53.050 0.151 0.000 0.949 558 N CB 1.016 39.562 38.487 0.098 0.000 1.110 558 N HN 0.394 nan 8.380 nan 0.000 0.490 559 P HA 0.081 nan 4.420 nan 0.000 0.242 559 P C -0.223 177.057 177.300 -0.035 0.000 1.197 559 P CA 0.835 64.011 63.100 0.127 0.000 0.765 559 P CB 0.225 31.981 31.700 0.093 0.000 0.936 560 N N -1.257 117.460 118.700 0.028 0.000 2.299 560 N HA 0.004 4.738 4.740 -0.011 0.000 0.187 560 N C 0.373 175.914 175.510 0.053 0.000 1.099 560 N CA -0.078 52.979 53.050 0.012 0.000 0.867 560 N CB 0.055 38.558 38.487 0.027 0.000 0.974 560 N HN 0.105 nan 8.380 nan 0.000 0.477 561 S N 0.180 115.925 115.700 0.074 0.000 2.614 561 S HA 0.182 4.645 4.470 -0.011 0.000 0.265 561 S C 0.095 174.671 174.600 -0.040 0.000 1.303 561 S CA -0.890 57.340 58.200 0.051 0.000 1.000 561 S CB 0.963 64.217 63.200 0.091 0.000 0.935 561 S HN 0.192 nan 8.310 nan 0.000 0.551 562 L N 2.086 123.120 121.223 -0.315 0.000 2.418 562 L HA 0.342 4.676 4.340 -0.011 0.000 0.274 562 L C -0.795 176.050 176.870 -0.040 0.000 1.135 562 L CA -0.467 54.006 54.840 -0.611 0.000 0.870 562 L CB -0.216 41.194 42.059 -1.081 0.000 1.154 562 L HN 0.702 nan 8.230 nan 0.000 0.462 563 F N 4.274 124.092 119.950 -0.221 0.000 2.439 563 F HA 0.087 4.608 4.527 -0.010 0.000 0.356 563 F C 0.455 176.184 175.800 -0.117 0.000 1.161 563 F CA -0.758 57.177 58.000 -0.108 0.000 1.151 563 F CB 0.502 39.483 39.000 -0.033 0.000 1.222 563 F HN 0.517 nan 8.300 nan 0.000 0.558 564 D N 4.953 125.347 120.400 -0.009 0.000 2.412 564 D HA 0.237 4.870 4.640 -0.011 0.000 0.224 564 D C -1.128 175.107 176.300 -0.108 0.000 1.093 564 D CA -0.083 53.870 54.000 -0.079 0.000 0.850 564 D CB 1.466 42.207 40.800 -0.100 0.000 1.046 564 D HN 0.266 nan 8.370 nan 0.000 0.507 565 V N 3.434 123.266 119.914 -0.137 0.000 2.588 565 V HA 0.532 4.646 4.120 -0.011 0.000 0.304 565 V C -1.435 174.499 176.094 -0.266 0.000 1.042 565 V CA -0.648 61.552 62.300 -0.167 0.000 0.877 565 V CB 1.831 33.610 31.823 -0.075 0.000 0.996 565 V HN 0.533 nan 8.190 nan 0.000 0.425 566 Q N 4.841 124.503 119.800 -0.231 0.000 2.363 566 Q HA 0.680 5.013 4.340 -0.011 0.000 0.265 566 Q C -1.430 174.400 176.000 -0.284 0.000 1.032 566 Q CA -0.641 55.013 55.803 -0.249 0.000 0.746 566 Q CB 1.840 30.462 28.738 -0.193 0.000 1.237 566 Q HN 1.053 nan 8.270 nan 0.000 0.475 567 V N 1.682 121.418 119.914 -0.296 0.000 2.531 567 V HA 0.867 4.980 4.120 -0.011 0.000 0.301 567 V C -0.918 174.918 176.094 -0.431 0.000 1.034 567 V CA -0.603 61.347 62.300 -0.583 0.000 0.865 567 V CB 1.171 32.428 31.823 -0.944 0.000 0.995 567 V HN 0.854 nan 8.190 nan 0.000 0.424 568 K N 2.445 122.626 120.400 -0.366 0.000 3.040 568 K HA 0.418 4.731 4.320 -0.011 0.000 0.300 568 K C -1.259 175.347 176.600 0.011 0.000 1.092 568 K CA -1.209 55.052 56.287 -0.044 0.000 0.831 568 K CB 0.811 33.276 32.500 -0.058 0.000 1.469 568 K HN 0.433 nan 8.250 nan 0.000 0.365 569 R N 0.931 121.493 120.500 0.103 0.000 2.698 569 R HA 0.172 4.505 4.340 -0.011 0.000 0.266 569 R C 0.312 176.613 176.300 0.002 0.000 1.026 569 R CA -0.306 55.851 56.100 0.095 0.000 1.102 569 R CB -0.128 30.272 30.300 0.167 0.000 0.978 569 R HN 0.486 nan 8.270 nan 0.000 0.436 570 I N 4.631 125.166 120.570 -0.059 0.000 2.436 570 I HA 0.114 4.277 4.170 -0.011 0.000 0.289 570 I C 0.663 176.602 176.117 -0.296 0.000 1.083 570 I CA 0.546 61.760 61.300 -0.144 0.000 1.372 570 I CB -0.195 37.731 38.000 -0.124 0.000 1.408 570 I HN 0.266 nan 8.210 nan 0.000 0.516 571 H N 4.294 123.259 119.070 -0.174 0.000 2.996 571 H HA 0.229 4.778 4.556 -0.011 0.000 0.368 571 H C 0.491 175.699 175.328 -0.200 0.000 1.185 571 H CA -0.484 55.498 56.048 -0.111 0.000 1.160 571 H CB 2.071 31.713 29.762 -0.200 0.000 1.820 571 H HN 0.510 nan 8.280 nan 0.000 0.547 572 E N 1.168 121.436 120.200 0.112 0.000 2.085 572 E HA -0.230 4.113 4.350 -0.011 0.000 0.194 572 E C 1.481 177.867 176.600 -0.357 0.000 0.994 572 E CA 1.718 58.128 56.400 0.018 0.000 0.801 572 E CB -0.024 29.883 29.700 0.345 0.000 0.743 572 E HN 0.557 nan 8.360 nan 0.000 0.453 573 Y N 0.929 120.731 120.300 -0.830 0.000 2.352 573 Y HA -0.057 4.486 4.550 -0.012 0.000 0.292 573 Y C 1.483 177.097 175.900 -0.476 0.000 1.136 573 Y CA 0.968 58.352 58.100 -1.193 0.000 1.227 573 Y CB -0.128 37.645 38.460 -1.146 0.000 0.991 573 Y HN -0.200 nan 8.280 nan 0.000 0.545 574 K N 0.696 120.614 120.400 -0.803 0.000 2.432 574 K HA 0.076 4.389 4.320 -0.011 0.000 0.196 574 K C 0.122 176.546 176.600 -0.294 0.000 1.038 574 K CA 0.543 56.489 56.287 -0.569 0.000 0.986 574 K CB -0.034 32.126 32.500 -0.567 0.000 0.782 574 K HN 0.257 nan 8.250 nan 0.000 0.485 575 R N 0.430 120.786 120.500 -0.241 0.000 3.336 575 R HA -0.230 4.103 4.340 -0.011 0.000 0.260 575 R C 0.269 176.487 176.300 -0.137 0.000 1.032 575 R CA 0.212 56.223 56.100 -0.148 0.000 0.693 575 R CB -1.995 28.235 30.300 -0.117 0.000 1.134 575 R HN 0.291 nan 8.270 nan 0.000 0.433 576 Q N 0.423 120.142 119.800 -0.136 0.000 2.248 576 Q HA -0.089 4.244 4.340 -0.011 0.000 0.208 576 Q C 2.048 177.997 176.000 -0.084 0.000 0.984 576 Q CA 1.598 57.336 55.803 -0.110 0.000 0.875 576 Q CB -0.018 28.658 28.738 -0.103 0.000 0.910 576 Q HN 0.592 nan 8.270 nan 0.000 0.433 577 L N -0.654 120.522 121.223 -0.078 0.000 2.083 577 L HA -0.186 4.147 4.340 -0.011 0.000 0.209 577 L C 2.043 178.912 176.870 -0.002 0.000 1.083 577 L CA 0.554 55.364 54.840 -0.051 0.000 0.752 577 L CB -0.391 41.647 42.059 -0.034 0.000 0.899 577 L HN 0.311 nan 8.230 nan 0.000 0.433 578 L N 0.225 121.439 121.223 -0.016 0.000 2.042 578 L HA -0.271 4.062 4.340 -0.011 0.000 0.210 578 L C 2.052 178.969 176.870 0.078 0.000 1.076 578 L CA 1.997 56.836 54.840 -0.002 0.000 0.749 578 L CB -0.876 41.074 42.059 -0.181 0.000 0.893 578 L HN 0.289 nan 8.230 nan 0.000 0.432 579 N N -1.683 117.032 118.700 0.025 0.000 2.069 579 N HA -0.254 4.479 4.740 -0.011 0.000 0.191 579 N C 1.945 177.535 175.510 0.134 0.000 1.031 579 N CA 1.769 54.912 53.050 0.154 0.000 0.852 579 N CB -0.155 38.354 38.487 0.036 0.000 1.018 579 N HN 0.506 nan 8.380 nan 0.000 0.423 580 C N 0.447 119.762 119.300 0.025 0.000 2.413 580 C HA -0.077 4.376 4.460 -0.011 0.000 0.277 580 C C 2.566 177.547 174.990 -0.015 0.000 1.265 580 C CA 0.388 59.374 59.018 -0.053 0.000 1.752 580 C CB -1.232 26.424 27.740 -0.139 0.000 1.998 580 C HN 0.503 nan 8.230 nan 0.000 0.489 581 L N -0.496 120.783 121.223 0.092 0.000 2.093 581 L HA -0.170 4.163 4.340 -0.011 0.000 0.208 581 L C 2.758 179.784 176.870 0.261 0.000 1.085 581 L CA 1.637 56.581 54.840 0.172 0.000 0.755 581 L CB -1.003 41.223 42.059 0.279 0.000 0.904 581 L HN 0.581 nan 8.230 nan 0.000 0.435 582 H N -0.072 119.102 119.070 0.173 0.000 2.321 582 H HA -0.137 4.412 4.556 -0.011 0.000 0.300 582 H C 2.247 177.560 175.328 -0.024 0.000 1.087 582 H CA 1.869 57.929 56.048 0.019 0.000 1.319 582 H CB 0.330 30.022 29.762 -0.117 0.000 1.379 582 H HN 0.079 nan 8.280 nan 0.000 0.501 583 V N 1.600 121.426 119.914 -0.145 0.000 2.282 583 V HA -0.292 3.821 4.120 -0.011 0.000 0.249 583 V C 2.834 178.859 176.094 -0.116 0.000 1.057 583 V CA 2.034 64.215 62.300 -0.197 0.000 1.032 583 V CB -0.538 31.217 31.823 -0.114 0.000 0.645 583 V HN 0.392 nan 8.190 nan 0.000 0.447 584 I N -0.234 120.306 120.570 -0.050 0.000 2.286 584 I HA -0.225 3.938 4.170 -0.011 0.000 0.248 584 I C 2.490 178.659 176.117 0.086 0.000 1.115 584 I CA 1.739 63.077 61.300 0.063 0.000 1.392 584 I CB -0.697 37.316 38.000 0.021 0.000 1.065 584 I HN 0.332 nan 8.210 nan 0.000 0.418 585 T N 1.174 115.740 114.554 0.020 0.000 2.720 585 T HA -0.154 4.189 4.350 -0.011 0.000 0.268 585 T C 1.861 176.517 174.700 -0.073 0.000 1.037 585 T CA 1.235 63.339 62.100 0.007 0.000 1.144 585 T CB -0.240 68.658 68.868 0.050 0.000 0.864 585 T HN 0.080 nan 8.240 nan 0.000 0.444 586 L N 0.027 121.142 121.223 -0.180 0.000 2.046 586 L HA 0.013 4.346 4.340 -0.011 0.000 0.208 586 L C 2.096 178.925 176.870 -0.068 0.000 1.077 586 L CA 1.508 56.238 54.840 -0.183 0.000 0.747 586 L CB -1.104 40.774 42.059 -0.303 0.000 0.896 586 L HN 0.355 nan 8.230 nan 0.000 0.432 587 Y N 0.403 120.638 120.300 -0.107 0.000 2.145 587 Y HA -0.294 4.249 4.550 -0.012 0.000 0.286 587 Y C 2.425 178.302 175.900 -0.038 0.000 1.145 587 Y CA 1.874 59.948 58.100 -0.044 0.000 1.148 587 Y CB -0.098 38.380 38.460 0.030 0.000 0.981 587 Y HN 0.277 nan 8.280 nan 0.000 0.507 588 N N 0.439 119.080 118.700 -0.099 0.000 2.223 588 N HA -0.137 4.597 4.740 -0.011 0.000 0.185 588 N C 1.825 177.220 175.510 -0.192 0.000 1.016 588 N CA 1.419 54.351 53.050 -0.197 0.000 0.863 588 N CB -0.365 38.072 38.487 -0.084 0.000 0.983 588 N HN 0.442 nan 8.380 nan 0.000 0.429 589 R N 0.379 120.794 120.500 -0.140 0.000 2.075 589 R HA 0.074 4.407 4.340 -0.011 0.000 0.232 589 R C 2.201 178.415 176.300 -0.143 0.000 1.126 589 R CA 0.772 56.798 56.100 -0.123 0.000 0.963 589 R CB -0.230 30.010 30.300 -0.100 0.000 0.858 589 R HN 0.217 nan 8.270 nan 0.000 0.435 590 I N 0.903 121.368 120.570 -0.176 0.000 2.179 590 I HA -0.278 3.885 4.170 -0.011 0.000 0.242 590 I C 2.122 178.120 176.117 -0.198 0.000 1.088 590 I CA 1.214 62.410 61.300 -0.173 0.000 1.357 590 I CB -0.157 37.746 38.000 -0.162 0.000 1.051 590 I HN 0.007 nan 8.210 nan 0.000 0.409 591 K N 0.834 121.049 120.400 -0.309 0.000 2.152 591 K HA -0.215 4.099 4.320 -0.011 0.000 0.206 591 K C 2.035 178.534 176.600 -0.168 0.000 1.048 591 K CA 1.283 57.404 56.287 -0.277 0.000 0.933 591 K CB -0.349 31.905 32.500 -0.410 0.000 0.721 591 K HN 0.332 nan 8.250 nan 0.000 0.447 592 K N 1.030 121.339 120.400 -0.153 0.000 2.062 592 K HA -0.078 4.236 4.320 -0.011 0.000 0.205 592 K C 0.054 176.606 176.600 -0.079 0.000 1.051 592 K CA 1.032 57.257 56.287 -0.104 0.000 0.941 592 K CB 0.334 32.777 32.500 -0.095 0.000 0.719 592 K HN 0.073 nan 8.250 nan 0.000 0.440 593 E N 0.137 120.289 120.200 -0.081 0.000 3.374 593 E HA 0.118 4.461 4.350 -0.011 0.000 0.223 593 E C -2.319 174.246 176.600 -0.058 0.000 1.210 593 E CA -1.593 54.773 56.400 -0.057 0.000 0.987 593 E CB 1.704 31.377 29.700 -0.046 0.000 1.322 593 E HN 0.140 nan 8.360 nan 0.000 0.404 594 P HA -0.109 nan 4.420 nan 0.000 0.218 594 P C 0.245 177.525 177.300 -0.033 0.000 1.149 594 P CA 1.124 64.191 63.100 -0.055 0.000 0.817 594 P CB 0.216 31.887 31.700 -0.047 0.000 0.785 595 N N -1.165 117.524 118.700 -0.017 0.000 2.268 595 N HA 0.018 4.751 4.740 -0.011 0.000 0.204 595 N C 0.532 176.056 175.510 0.024 0.000 1.124 595 N CA -0.073 52.980 53.050 0.004 0.000 0.838 595 N CB 0.085 38.575 38.487 0.005 0.000 0.994 595 N HN -0.004 nan 8.380 nan 0.000 0.489 596 K N 1.157 121.565 120.400 0.014 0.000 2.143 596 K HA 0.161 4.474 4.320 -0.011 0.000 0.272 596 K C -0.947 175.690 176.600 0.062 0.000 1.001 596 K CA -0.571 55.740 56.287 0.040 0.000 0.915 596 K CB 0.717 33.222 32.500 0.009 0.000 1.047 596 K HN -0.036 nan 8.250 nan 0.000 0.458 597 F N 4.415 124.352 119.950 -0.023 0.000 2.443 597 F HA 0.236 4.757 4.527 -0.011 0.000 0.353 597 F C -0.392 175.394 175.800 -0.024 0.000 1.101 597 F CA -0.212 57.776 58.000 -0.020 0.000 1.226 597 F CB 0.675 39.666 39.000 -0.015 0.000 1.140 597 F HN 0.176 nan 8.300 nan 0.000 0.557 598 V N 4.131 123.480 119.914 -0.943 0.000 2.789 598 V HA 0.519 4.632 4.120 -0.011 0.000 0.311 598 V C -0.675 174.803 176.094 -1.027 0.000 1.073 598 V CA -1.246 60.627 62.300 -0.712 0.000 0.921 598 V CB 0.922 32.532 31.823 -0.355 0.000 1.009 598 V HN 0.603 nan 8.190 nan 0.000 0.426 599 V N 5.121 124.729 119.914 -0.511 0.000 2.509 599 V HA 0.176 4.290 4.120 -0.011 0.000 0.297 599 V C -1.738 174.199 176.094 -0.261 0.000 1.014 599 V CA -0.245 61.900 62.300 -0.258 0.000 1.127 599 V CB 0.283 32.073 31.823 -0.055 0.000 0.925 599 V HN 0.921 nan 8.190 nan 0.000 0.480 600 P HA 0.443 nan 4.420 nan 0.000 0.279 600 P C -0.547 176.667 177.300 -0.143 0.000 1.239 600 P CA -0.391 62.617 63.100 -0.154 0.000 0.789 600 P CB 0.752 32.402 31.700 -0.084 0.000 0.933 601 R N 0.718 121.143 120.500 -0.124 0.000 2.686 601 R HA 0.568 4.902 4.340 -0.011 0.000 0.283 601 R C -0.676 175.585 176.300 -0.065 0.000 0.978 601 R CA -0.607 55.422 56.100 -0.119 0.000 0.897 601 R CB 1.940 32.154 30.300 -0.144 0.000 1.192 601 R HN 0.327 nan 8.270 nan 0.000 0.457 602 T N 2.172 116.706 114.554 -0.034 0.000 2.770 602 T HA 0.243 4.586 4.350 -0.011 0.000 0.297 602 T C -0.291 174.325 174.700 -0.140 0.000 0.997 602 T CA -0.486 61.555 62.100 -0.098 0.000 0.949 602 T CB 1.127 69.884 68.868 -0.185 0.000 0.941 602 T HN 0.129 nan 8.240 nan 0.000 0.457 603 V N 6.007 125.845 119.914 -0.127 0.000 2.385 603 V HA 0.405 4.518 4.120 -0.011 0.000 0.269 603 V C 0.072 176.084 176.094 -0.137 0.000 1.043 603 V CA -0.407 61.821 62.300 -0.120 0.000 0.906 603 V CB 0.602 32.369 31.823 -0.093 0.000 0.995 603 V HN 0.859 nan 8.190 nan 0.000 0.467 604 M N 6.789 126.295 119.600 -0.156 0.000 2.181 604 M HA 0.618 5.091 4.480 -0.011 0.000 0.323 604 M C -1.007 175.179 176.300 -0.190 0.000 1.004 604 M CA -0.176 55.021 55.300 -0.171 0.000 0.941 604 M CB 1.962 34.452 32.600 -0.183 0.000 1.579 604 M HN 0.409 nan 8.290 nan 0.000 0.427 605 I N 1.739 122.179 120.570 -0.216 0.000 2.545 605 I HA 0.869 5.033 4.170 -0.011 0.000 0.292 605 I C 0.098 175.880 176.117 -0.559 0.000 1.040 605 I CA -0.625 60.516 61.300 -0.265 0.000 1.068 605 I CB 2.391 40.325 38.000 -0.109 0.000 1.251 605 I HN 0.809 nan 8.210 nan 0.000 0.424 606 G N 2.805 111.240 108.800 -0.608 0.000 2.718 606 G HA2 0.804 4.758 3.960 -0.011 0.000 0.295 606 G HA3 0.804 4.758 3.960 -0.011 0.000 0.295 606 G C -1.065 173.528 174.900 -0.511 0.000 1.421 606 G CA -0.624 43.967 45.100 -0.849 0.000 0.902 606 G HN 1.007 nan 8.290 nan 0.000 0.501 607 G N -0.335 108.310 108.800 -0.258 0.000 2.352 607 G HA2 0.407 4.361 3.960 -0.011 0.000 0.305 607 G HA3 0.407 4.361 3.960 -0.011 0.000 0.305 607 G C -1.279 173.738 174.900 0.194 0.000 1.537 607 G CA -1.051 44.076 45.100 0.045 0.000 0.959 607 G HN 0.606 nan 8.290 nan 0.000 0.668 608 K N -0.086 120.421 120.400 0.179 0.000 2.118 608 K HA 0.730 5.044 4.320 -0.011 0.000 0.267 608 K C 0.326 177.032 176.600 0.176 0.000 0.991 608 K CA -0.093 56.313 56.287 0.199 0.000 0.916 608 K CB 1.918 34.436 32.500 0.030 0.000 1.041 608 K HN 0.873 nan 8.250 nan 0.000 0.455 609 A N 1.575 124.530 122.820 0.225 0.000 2.305 609 A HA 0.613 4.926 4.320 -0.011 0.000 0.322 609 A C -0.390 177.334 177.584 0.233 0.000 1.187 609 A CA -0.724 51.378 52.037 0.108 0.000 0.825 609 A CB 0.927 19.922 19.000 -0.010 0.000 1.164 609 A HN 0.782 nan 8.150 nan 0.000 0.498 610 A N 3.838 126.770 122.820 0.187 0.000 2.546 610 A HA 0.448 4.761 4.320 -0.011 0.000 0.243 610 A C -1.384 176.257 177.584 0.095 0.000 1.063 610 A CA -0.737 51.421 52.037 0.201 0.000 0.757 610 A CB -0.354 18.750 19.000 0.174 0.000 0.991 610 A HN 0.604 nan 8.150 nan 0.000 0.503 611 P HA -0.140 nan 4.420 nan 0.000 0.217 611 P C 1.346 178.628 177.300 -0.031 0.000 1.148 611 P CA 1.956 64.982 63.100 -0.124 0.000 0.828 611 P CB 0.213 31.777 31.700 -0.227 0.000 0.783 612 G N -3.026 105.781 108.800 0.012 0.000 3.042 612 G HA2 -0.094 3.859 3.960 -0.011 0.000 0.212 612 G HA3 -0.094 3.859 3.960 -0.011 0.000 0.212 612 G C -0.121 174.819 174.900 0.067 0.000 1.166 612 G CA -0.118 44.997 45.100 0.025 0.000 0.767 612 G HN 0.309 nan 8.290 nan 0.000 0.546 613 Y N 1.780 122.029 120.300 -0.086 0.000 2.691 613 Y HA 0.185 4.728 4.550 -0.011 0.000 0.338 613 Y C 1.672 177.562 175.900 -0.017 0.000 1.148 613 Y CA -1.054 56.982 58.100 -0.107 0.000 1.430 613 Y CB 0.091 38.452 38.460 -0.166 0.000 1.303 613 Y HN 0.298 nan 8.280 nan 0.000 0.499 614 H N 4.112 123.306 119.070 0.207 0.000 2.290 614 H HA -0.227 4.322 4.556 -0.011 0.000 0.298 614 H C 1.817 177.184 175.328 0.064 0.000 1.087 614 H CA 2.349 58.462 56.048 0.108 0.000 1.291 614 H CB 0.349 30.169 29.762 0.096 0.000 1.369 614 H HN 0.723 nan 8.280 nan 0.000 0.492 615 M N 1.065 120.667 119.600 0.003 0.000 2.159 615 M HA -0.067 4.407 4.480 -0.011 0.000 0.263 615 M C 2.505 178.586 176.300 -0.365 0.000 1.063 615 M CA 1.795 57.014 55.300 -0.136 0.000 1.110 615 M CB -0.671 31.998 32.600 0.115 0.000 1.374 615 M HN 0.343 nan 8.290 nan 0.000 0.411 616 A N -0.531 121.845 122.820 -0.739 0.000 1.969 616 A HA -0.171 4.142 4.320 -0.011 0.000 0.218 616 A C 2.195 179.573 177.584 -0.343 0.000 1.169 616 A CA 1.737 53.352 52.037 -0.704 0.000 0.635 616 A CB -0.605 17.751 19.000 -1.074 0.000 0.810 616 A HN 0.580 nan 8.150 nan 0.000 0.445 617 K N -1.123 119.127 120.400 -0.251 0.000 2.155 617 K HA -0.024 4.289 4.320 -0.011 0.000 0.203 617 K C 1.898 178.446 176.600 -0.087 0.000 1.052 617 K CA 1.170 57.392 56.287 -0.109 0.000 0.948 617 K CB -0.186 32.304 32.500 -0.016 0.000 0.728 617 K HN 0.331 nan 8.250 nan 0.000 0.448 618 M N 0.513 120.015 119.600 -0.162 0.000 2.229 618 M HA -0.083 4.390 4.480 -0.011 0.000 0.264 618 M C 2.081 178.323 176.300 -0.097 0.000 1.063 618 M CA 1.403 56.657 55.300 -0.077 0.000 1.114 618 M CB -0.611 31.927 32.600 -0.102 0.000 1.387 618 M HN 0.126 nan 8.290 nan 0.000 0.420 619 I N -0.117 120.353 120.570 -0.165 0.000 2.226 619 I HA -0.301 3.862 4.170 -0.011 0.000 0.245 619 I C 2.277 178.263 176.117 -0.218 0.000 1.100 619 I CA 1.046 62.235 61.300 -0.185 0.000 1.374 619 I CB -0.308 37.584 38.000 -0.181 0.000 1.057 619 I HN 0.168 nan 8.210 nan 0.000 0.413 620 I N 0.678 121.102 120.570 -0.244 0.000 2.163 620 I HA -0.328 3.835 4.170 -0.011 0.000 0.243 620 I C 2.610 178.449 176.117 -0.463 0.000 1.085 620 I CA 1.347 62.401 61.300 -0.411 0.000 1.347 620 I CB -0.363 37.362 38.000 -0.458 0.000 1.044 620 I HN 0.161 nan 8.210 nan 0.000 0.408 621 K N 1.517 121.677 120.400 -0.400 0.000 2.057 621 K HA -0.159 4.154 4.320 -0.011 0.000 0.207 621 K C 2.046 178.487 176.600 -0.264 0.000 1.049 621 K CA 1.518 57.506 56.287 -0.499 0.000 0.931 621 K CB -0.595 31.419 32.500 -0.810 0.000 0.714 621 K HN 0.239 nan 8.250 nan 0.000 0.440 622 L N 0.365 121.441 121.223 -0.246 0.000 2.012 622 L HA -0.197 4.136 4.340 -0.011 0.000 0.210 622 L C 2.220 178.842 176.870 -0.414 0.000 1.073 622 L CA 1.798 56.305 54.840 -0.556 0.000 0.748 622 L CB -0.326 41.331 42.059 -0.670 0.000 0.891 622 L HN 0.276 nan 8.230 nan 0.000 0.431 623 I N -0.166 120.217 120.570 -0.312 0.000 2.118 623 I HA -0.368 3.795 4.170 -0.011 0.000 0.241 623 I C 2.636 178.641 176.117 -0.186 0.000 1.070 623 I CA 2.098 63.270 61.300 -0.213 0.000 1.327 623 I CB -0.668 37.283 38.000 -0.081 0.000 1.034 623 I HN 0.443 nan 8.210 nan 0.000 0.405 624 T N -0.789 113.629 114.554 -0.227 0.000 2.788 624 T HA -0.093 4.250 4.350 -0.011 0.000 0.268 624 T C 1.964 176.592 174.700 -0.120 0.000 1.044 624 T CA 0.978 62.974 62.100 -0.173 0.000 1.139 624 T CB -0.534 68.188 68.868 -0.243 0.000 0.867 624 T HN 0.362 nan 8.240 nan 0.000 0.454 625 A N 1.608 124.356 122.820 -0.121 0.000 1.898 625 A HA 0.136 4.449 4.320 -0.011 0.000 0.216 625 A C 2.374 179.979 177.584 0.034 0.000 1.181 625 A CA 1.284 53.321 52.037 0.000 0.000 0.620 625 A CB -0.826 18.266 19.000 0.154 0.000 0.819 625 A HN 0.587 nan 8.150 nan 0.000 0.442 626 I N -0.151 120.340 120.570 -0.133 0.000 2.163 626 I HA -0.231 3.932 4.170 -0.011 0.000 0.243 626 I C 2.729 178.806 176.117 -0.066 0.000 1.085 626 I CA 1.235 62.448 61.300 -0.145 0.000 1.347 626 I CB -0.725 37.064 38.000 -0.352 0.000 1.044 626 I HN 0.385 nan 8.210 nan 0.000 0.408 627 G N 0.452 109.198 108.800 -0.091 0.000 2.440 627 G HA2 -0.272 3.682 3.960 -0.011 0.000 0.218 627 G HA3 -0.272 3.682 3.960 -0.011 0.000 0.218 627 G C 1.254 176.111 174.900 -0.072 0.000 1.154 627 G CA 1.108 46.155 45.100 -0.089 0.000 0.767 627 G HN 0.299 nan 8.290 nan 0.000 0.552 628 D N -0.082 120.319 120.400 0.001 0.000 2.178 628 D HA -0.069 4.564 4.640 -0.011 0.000 0.201 628 D C 2.686 179.057 176.300 0.117 0.000 0.980 628 D CA 0.632 54.693 54.000 0.101 0.000 0.842 628 D CB -0.128 40.720 40.800 0.080 0.000 0.948 628 D HN 0.265 nan 8.370 nan 0.000 0.472 629 V N 0.049 119.975 119.914 0.020 0.000 2.331 629 V HA -0.121 3.992 4.120 -0.011 0.000 0.242 629 V C 2.574 178.589 176.094 -0.132 0.000 1.034 629 V CA 0.659 62.918 62.300 -0.067 0.000 1.027 629 V CB -0.227 31.512 31.823 -0.140 0.000 0.667 629 V HN 0.017 nan 8.190 nan 0.000 0.457 630 V N 1.023 120.809 119.914 -0.214 0.000 2.261 630 V HA -0.232 3.881 4.120 -0.011 0.000 0.246 630 V C 2.211 178.237 176.094 -0.113 0.000 1.047 630 V CA 2.198 64.371 62.300 -0.213 0.000 1.015 630 V CB -0.895 30.813 31.823 -0.192 0.000 0.642 630 V HN 0.564 nan 8.190 nan 0.000 0.446 631 N N -0.328 118.240 118.700 -0.220 0.000 2.520 631 N HA -0.110 4.623 4.740 -0.011 0.000 0.185 631 N C 1.242 176.487 175.510 -0.442 0.000 1.068 631 N CA 1.064 53.903 53.050 -0.352 0.000 0.911 631 N CB -0.322 37.871 38.487 -0.490 0.000 0.961 631 N HN 0.716 nan 8.380 nan 0.000 0.446 632 H N -1.668 117.407 119.070 0.008 0.000 2.784 632 H HA 0.202 4.751 4.556 -0.011 0.000 0.273 632 H C -0.489 174.854 175.328 0.026 0.000 1.112 632 H CA -0.521 55.535 56.048 0.012 0.000 1.162 632 H CB 0.686 30.446 29.762 -0.003 0.000 1.586 632 H HN -0.017 nan 8.280 nan 0.000 0.548 633 D N 1.867 122.338 120.400 0.119 0.000 2.325 633 D HA 0.034 4.667 4.640 -0.011 0.000 0.251 633 D C -1.622 174.737 176.300 0.098 0.000 1.196 633 D CA -1.971 52.111 54.000 0.137 0.000 0.866 633 D CB 1.709 42.661 40.800 0.253 0.000 1.101 633 D HN 0.111 nan 8.370 nan 0.000 0.476 634 P HA -0.111 nan 4.420 nan 0.000 0.218 634 P C 1.561 178.883 177.300 0.035 0.000 1.149 634 P CA 0.378 63.506 63.100 0.048 0.000 0.817 634 P CB 0.408 32.130 31.700 0.037 0.000 0.785 635 V N -0.619 119.317 119.914 0.036 0.000 2.515 635 V HA -0.166 3.947 4.120 -0.011 0.000 0.250 635 V C 2.452 178.550 176.094 0.007 0.000 1.058 635 V CA 1.459 63.766 62.300 0.012 0.000 1.064 635 V CB -1.065 30.755 31.823 -0.005 0.000 0.675 635 V HN -0.020 nan 8.190 nan 0.000 0.461 636 V N -0.104 119.833 119.914 0.037 0.000 2.307 636 V HA 0.079 4.192 4.120 -0.011 0.000 0.245 636 V C 1.807 177.906 176.094 0.009 0.000 1.045 636 V CA 1.759 64.080 62.300 0.034 0.000 1.024 636 V CB -1.257 30.630 31.823 0.107 0.000 0.651 636 V HN 0.753 nan 8.190 nan 0.000 0.449 637 G N 1.385 110.195 108.800 0.017 0.000 2.531 637 G HA2 -0.342 3.611 3.960 -0.011 0.000 0.274 637 G HA3 -0.342 3.611 3.960 -0.011 0.000 0.274 637 G C 0.142 175.043 174.900 0.001 0.000 1.159 637 G CA 0.413 45.518 45.100 0.007 0.000 0.969 637 G HN 0.716 nan 8.290 nan 0.000 0.554 638 D N 0.189 120.587 120.400 -0.003 0.000 2.525 638 D HA 0.256 4.890 4.640 -0.011 0.000 0.229 638 D C 1.692 177.981 176.300 -0.018 0.000 1.202 638 D CA -0.031 53.968 54.000 -0.002 0.000 0.828 638 D CB -0.017 40.791 40.800 0.014 0.000 1.008 638 D HN 0.593 nan 8.370 nan 0.000 0.493 639 R N -0.667 119.811 120.500 -0.038 0.000 2.200 639 R HA 0.243 4.576 4.340 -0.011 0.000 0.208 639 R C -0.136 176.117 176.300 -0.079 0.000 1.033 639 R CA 0.197 56.249 56.100 -0.079 0.000 1.000 639 R CB 0.349 30.584 30.300 -0.110 0.000 0.906 639 R HN 0.123 nan 8.270 nan 0.000 0.462 640 L N 0.679 121.873 121.223 -0.048 0.000 2.562 640 L HA 0.358 4.691 4.340 -0.011 0.000 0.266 640 L C -1.607 175.236 176.870 -0.044 0.000 0.949 640 L CA -0.429 54.381 54.840 -0.050 0.000 0.879 640 L CB 1.708 43.747 42.059 -0.033 0.000 1.278 640 L HN -0.181 nan 8.230 nan 0.000 0.404 641 R N 3.846 124.309 120.500 -0.062 0.000 2.621 641 R HA 0.785 5.119 4.340 -0.011 0.000 0.292 641 R C -1.578 174.667 176.300 -0.092 0.000 0.969 641 R CA -0.826 55.228 56.100 -0.076 0.000 0.887 641 R CB 2.482 32.743 30.300 -0.065 0.000 1.180 641 R HN 0.402 nan 8.270 nan 0.000 0.450 642 V N 4.860 124.715 119.914 -0.099 0.000 2.350 642 V HA 0.454 4.567 4.120 -0.011 0.000 0.285 642 V C -0.323 175.723 176.094 -0.081 0.000 1.014 642 V CA -0.696 61.547 62.300 -0.095 0.000 0.831 642 V CB 1.541 33.305 31.823 -0.099 0.000 1.000 642 V HN 0.539 nan 8.190 nan 0.000 0.433 643 I N 4.868 125.391 120.570 -0.078 0.000 2.465 643 I HA 0.439 4.602 4.170 -0.011 0.000 0.291 643 I C -0.622 175.477 176.117 -0.029 0.000 1.014 643 I CA -0.342 60.923 61.300 -0.059 0.000 1.093 643 I CB 1.862 39.807 38.000 -0.092 0.000 1.267 643 I HN 0.545 nan 8.210 nan 0.000 0.431 644 F N 7.172 127.049 119.950 -0.122 0.000 2.404 644 F HA 0.450 4.971 4.527 -0.011 0.000 0.358 644 F C -0.506 175.219 175.800 -0.125 0.000 1.120 644 F CA -0.635 57.294 58.000 -0.118 0.000 1.144 644 F CB 0.616 39.549 39.000 -0.112 0.000 1.133 644 F HN 0.155 nan 8.300 nan 0.000 0.495 645 L N 6.227 127.074 121.223 -0.628 0.000 2.407 645 L HA 0.147 4.480 4.340 -0.011 0.000 0.282 645 L C 0.348 176.958 176.870 -0.435 0.000 1.110 645 L CA 0.116 54.702 54.840 -0.425 0.000 0.863 645 L CB 0.085 41.971 42.059 -0.288 0.000 1.207 645 L HN 0.606 nan 8.230 nan 0.000 0.454 646 E N 3.440 123.513 120.200 -0.212 0.000 2.373 646 E HA -0.036 4.307 4.350 -0.011 0.000 0.267 646 E C 0.421 177.064 176.600 0.071 0.000 1.032 646 E CA -0.273 56.138 56.400 0.019 0.000 0.889 646 E CB 0.344 30.037 29.700 -0.012 0.000 0.984 646 E HN 0.547 nan 8.360 nan 0.000 0.425 647 N N 2.357 121.156 118.700 0.166 0.000 2.738 647 N HA -0.277 4.456 4.740 -0.011 0.000 0.249 647 N C -1.535 174.055 175.510 0.134 0.000 1.047 647 N CA 0.576 53.720 53.050 0.156 0.000 0.707 647 N CB -1.686 36.910 38.487 0.181 0.000 0.937 647 N HN 0.497 nan 8.380 nan 0.000 0.545 648 Y N 1.555 121.852 120.300 -0.004 0.000 2.620 648 Y HA 0.212 4.755 4.550 -0.012 0.000 0.330 648 Y C 1.125 177.037 175.900 0.019 0.000 1.186 648 Y CA 0.730 58.819 58.100 -0.019 0.000 1.467 648 Y CB 0.355 38.770 38.460 -0.074 0.000 1.262 648 Y HN 0.387 nan 8.280 nan 0.000 0.550 649 R N 2.414 122.521 120.500 -0.656 0.000 2.752 649 R HA 0.358 4.692 4.340 -0.011 0.000 0.277 649 R C -0.751 175.221 176.300 -0.546 0.000 1.024 649 R CA -0.525 55.314 56.100 -0.435 0.000 0.866 649 R CB 0.216 30.446 30.300 -0.117 0.000 1.278 649 R HN 0.380 nan 8.270 nan 0.000 0.473 650 V N 1.136 120.778 119.914 -0.453 0.000 2.282 650 V HA -0.293 3.820 4.120 -0.011 0.000 0.249 650 V C 2.589 178.573 176.094 -0.182 0.000 1.057 650 V CA 2.871 64.969 62.300 -0.337 0.000 1.032 650 V CB -0.827 30.772 31.823 -0.373 0.000 0.645 650 V HN 0.908 nan 8.190 nan 0.000 0.447 651 S N -0.007 115.600 115.700 -0.154 0.000 2.399 651 S HA -0.169 4.294 4.470 -0.011 0.000 0.231 651 S C 1.932 176.488 174.600 -0.073 0.000 1.022 651 S CA 1.602 59.739 58.200 -0.104 0.000 0.983 651 S CB -0.524 62.637 63.200 -0.065 0.000 0.803 651 S HN 0.385 nan 8.310 nan 0.000 0.480 652 L N 1.981 123.168 121.223 -0.060 0.000 2.109 652 L HA 0.289 4.622 4.340 -0.011 0.000 0.207 652 L C 2.695 179.593 176.870 0.047 0.000 1.086 652 L CA 1.406 56.258 54.840 0.020 0.000 0.760 652 L CB -1.286 40.840 42.059 0.111 0.000 0.910 652 L HN 0.364 nan 8.230 nan 0.000 0.437 653 A N -0.687 122.132 122.820 -0.003 0.000 1.908 653 A HA -0.242 4.071 4.320 -0.011 0.000 0.218 653 A C 2.136 179.790 177.584 0.116 0.000 1.181 653 A CA 1.844 53.952 52.037 0.117 0.000 0.627 653 A CB -0.623 18.419 19.000 0.072 0.000 0.818 653 A HN 0.588 nan 8.150 nan 0.000 0.445 654 E N -0.368 119.894 120.200 0.102 0.000 2.265 654 E HA -0.176 4.167 4.350 -0.011 0.000 0.196 654 E C 1.934 178.519 176.600 -0.024 0.000 0.996 654 E CA 1.275 57.695 56.400 0.034 0.000 0.832 654 E CB -0.067 29.562 29.700 -0.118 0.000 0.756 654 E HN 0.627 nan 8.360 nan 0.000 0.491 655 K N 0.061 120.433 120.400 -0.048 0.000 2.099 655 K HA 0.013 4.326 4.320 -0.011 0.000 0.203 655 K C 2.174 178.666 176.600 -0.181 0.000 1.047 655 K CA 0.541 56.796 56.287 -0.054 0.000 0.963 655 K CB -0.024 32.434 32.500 -0.069 0.000 0.759 655 K HN -0.037 nan 8.250 nan 0.000 0.451 656 V N 1.755 121.481 119.914 -0.313 0.000 2.488 656 V HA -0.117 3.996 4.120 -0.011 0.000 0.246 656 V C 1.890 177.754 176.094 -0.384 0.000 1.046 656 V CA 1.139 63.022 62.300 -0.695 0.000 1.053 656 V CB -0.149 31.339 31.823 -0.557 0.000 0.679 656 V HN 0.237 nan 8.190 nan 0.000 0.458 657 I N 0.841 121.232 120.570 -0.298 0.000 2.163 657 I HA -0.132 4.031 4.170 -0.011 0.000 0.243 657 I C -0.261 175.729 176.117 -0.211 0.000 1.085 657 I CA 1.703 62.741 61.300 -0.437 0.000 1.347 657 I CB -1.439 36.175 38.000 -0.643 0.000 1.044 657 I HN 0.371 nan 8.210 nan 0.000 0.408 658 P HA -0.104 nan 4.420 nan 0.000 0.225 658 P C 0.862 178.161 177.300 -0.001 0.000 1.148 658 P CA 1.160 64.239 63.100 -0.036 0.000 0.779 658 P CB 0.007 31.699 31.700 -0.013 0.000 0.780 659 A N -1.163 121.643 122.820 -0.023 0.000 2.275 659 A HA 0.490 4.803 4.320 -0.011 0.000 0.212 659 A C 1.145 178.831 177.584 0.169 0.000 1.201 659 A CA 0.060 52.136 52.037 0.065 0.000 0.843 659 A CB -0.622 18.435 19.000 0.095 0.000 0.873 659 A HN 0.198 nan 8.150 nan 0.000 0.492 660 A N -0.108 122.805 122.820 0.156 0.000 2.354 660 A HA 0.489 4.802 4.320 -0.011 0.000 0.269 660 A C 0.324 178.055 177.584 0.244 0.000 1.109 660 A CA -0.249 51.944 52.037 0.260 0.000 0.800 660 A CB 0.374 19.622 19.000 0.412 0.000 1.045 660 A HN 0.259 nan 8.150 nan 0.000 0.489 661 D N 0.543 121.087 120.400 0.241 0.000 2.323 661 D HA 0.118 4.752 4.640 -0.011 0.000 0.218 661 D C 0.027 176.543 176.300 0.360 0.000 0.973 661 D CA 0.803 54.997 54.000 0.323 0.000 0.890 661 D CB 0.329 41.236 40.800 0.177 0.000 1.011 661 D HN 0.355 nan 8.370 nan 0.000 0.499 662 L N 0.938 122.256 121.223 0.158 0.000 2.381 662 L HA 0.291 4.624 4.340 -0.011 0.000 0.274 662 L C -0.958 175.800 176.870 -0.186 0.000 0.988 662 L CA -0.299 54.556 54.840 0.025 0.000 0.824 662 L CB 2.194 44.242 42.059 -0.019 0.000 1.263 662 L HN -0.206 nan 8.230 nan 0.000 0.410 663 S N 4.070 119.575 115.700 -0.326 0.000 2.429 663 S HA 0.344 4.807 4.470 -0.011 0.000 0.302 663 S C -0.435 173.899 174.600 -0.444 0.000 1.115 663 S CA -0.656 57.118 58.200 -0.711 0.000 1.095 663 S CB 0.674 63.411 63.200 -0.772 0.000 0.987 663 S HN 0.544 nan 8.310 nan 0.000 0.474 664 E N 4.065 124.012 120.200 -0.422 0.000 2.089 664 E HA 0.205 4.548 4.350 -0.011 0.000 0.284 664 E C -0.551 175.933 176.600 -0.194 0.000 1.023 664 E CA -0.398 55.874 56.400 -0.213 0.000 0.819 664 E CB 0.988 30.592 29.700 -0.159 0.000 1.076 664 E HN 0.586 nan 8.360 nan 0.000 0.396 665 Q N 2.830 122.570 119.800 -0.100 0.000 2.965 665 Q HA 0.268 4.601 4.340 -0.011 0.000 0.288 665 Q C 0.638 176.617 176.000 -0.036 0.000 0.974 665 Q CA -0.114 55.643 55.803 -0.078 0.000 0.849 665 Q CB 0.245 28.949 28.738 -0.056 0.000 1.280 665 Q HN 0.620 nan 8.270 nan 0.000 0.441 666 I N -1.833 118.701 120.570 -0.059 0.000 3.707 666 I HA 0.273 4.436 4.170 -0.011 0.000 0.330 666 I C 0.405 176.463 176.117 -0.098 0.000 1.572 666 I CA -0.681 60.594 61.300 -0.042 0.000 1.104 666 I CB 0.501 38.478 38.000 -0.037 0.000 1.240 666 I HN 0.004 nan 8.210 nan 0.000 0.475 667 S N 0.743 116.385 115.700 -0.096 0.000 2.563 667 S HA 0.135 4.598 4.470 -0.011 0.000 0.284 667 S C 0.595 175.166 174.600 -0.048 0.000 1.331 667 S CA -0.201 57.961 58.200 -0.064 0.000 1.047 667 S CB 0.170 63.382 63.200 0.020 0.000 0.859 667 S HN 0.403 nan 8.310 nan 0.000 0.514 668 T N 2.882 117.434 114.554 -0.003 0.000 2.908 668 T HA 0.352 4.696 4.350 -0.011 0.000 0.301 668 T C 0.782 175.482 174.700 0.000 0.000 1.019 668 T CA 0.260 62.368 62.100 0.013 0.000 1.152 668 T CB -0.114 68.826 68.868 0.120 0.000 0.966 668 T HN 1.053 nan 8.240 nan 0.000 0.540 669 A N 2.765 125.558 122.820 -0.044 0.000 2.580 669 A HA 0.440 4.753 4.320 -0.011 0.000 0.244 669 A C 1.661 179.234 177.584 -0.018 0.000 1.045 669 A CA 0.293 52.302 52.037 -0.047 0.000 0.761 669 A CB -0.956 18.006 19.000 -0.063 0.000 0.962 669 A HN 1.789 nan 8.150 nan 0.000 0.512 670 G N 1.423 110.210 108.800 -0.021 0.000 2.176 670 G HA2 -0.241 3.712 3.960 -0.011 0.000 0.232 670 G HA3 -0.241 3.712 3.960 -0.011 0.000 0.232 670 G C 0.897 175.776 174.900 -0.035 0.000 0.986 670 G CA 1.078 46.167 45.100 -0.018 0.000 0.643 670 G HN 1.969 nan 8.290 nan 0.000 0.522 671 T N -2.330 112.197 114.554 -0.044 0.000 3.042 671 T HA 0.398 4.741 4.350 -0.011 0.000 0.245 671 T C 0.781 175.303 174.700 -0.297 0.000 1.029 671 T CA 1.114 63.115 62.100 -0.164 0.000 1.120 671 T CB 0.511 69.323 68.868 -0.094 0.000 0.917 671 T HN 0.301 nan 8.240 nan 0.000 0.467 672 E N 1.432 121.598 120.200 -0.058 0.000 2.044 672 E HA 0.661 5.004 4.350 -0.011 0.000 0.282 672 E C 1.142 177.686 176.600 -0.093 0.000 1.031 672 E CA 0.050 56.462 56.400 0.021 0.000 0.824 672 E CB 0.817 30.602 29.700 0.141 0.000 1.076 672 E HN 0.340 nan 8.360 nan 0.000 0.395 673 A N 3.428 126.115 122.820 -0.221 0.000 1.892 673 A HA -0.213 4.100 4.320 -0.011 0.000 0.218 673 A C 1.988 179.452 177.584 -0.200 0.000 1.188 673 A CA 2.252 54.028 52.037 -0.435 0.000 0.631 673 A CB -0.279 18.207 19.000 -0.857 0.000 0.822 673 A HN 0.602 nan 8.150 nan 0.000 0.447 674 S N -3.842 111.800 115.700 -0.097 0.000 3.792 674 S HA 0.455 4.918 4.470 -0.011 0.000 0.229 674 S C 0.719 175.313 174.600 -0.011 0.000 1.118 674 S CA 1.444 59.633 58.200 -0.019 0.000 0.877 674 S CB -0.103 63.110 63.200 0.022 0.000 1.077 674 S HN 2.257 nan 8.310 nan 0.000 0.546 675 G N 0.341 109.143 108.800 0.003 0.000 2.722 675 G HA2 -0.067 3.886 3.960 -0.011 0.000 0.686 675 G HA3 -0.067 3.886 3.960 -0.011 0.000 0.686 675 G C 0.254 175.144 174.900 -0.016 0.000 1.282 675 G CA 0.463 45.562 45.100 -0.001 0.000 0.817 675 G HN 1.293 nan 8.290 nan 0.000 0.605 676 T N -1.918 112.616 114.554 -0.034 0.000 3.010 676 T HA 0.374 4.717 4.350 -0.011 0.000 0.253 676 T C 2.443 177.059 174.700 -0.141 0.000 0.939 676 T CA 1.282 63.336 62.100 -0.078 0.000 0.910 676 T CB 0.155 68.974 68.868 -0.081 0.000 1.226 676 T HN 1.934 nan 8.240 nan 0.000 0.508 677 G N 3.237 111.978 108.800 -0.100 0.000 2.469 677 G HA2 -0.330 3.623 3.960 -0.011 0.000 0.220 677 G HA3 -0.330 3.623 3.960 -0.011 0.000 0.220 677 G C 1.453 176.415 174.900 0.104 0.000 1.136 677 G CA 1.348 46.416 45.100 -0.052 0.000 0.759 677 G HN 0.853 nan 8.290 nan 0.000 0.562 678 N N -0.229 118.503 118.700 0.054 0.000 2.094 678 N HA -0.092 4.641 4.740 -0.011 0.000 0.191 678 N C 1.474 176.997 175.510 0.022 0.000 1.023 678 N CA 0.622 53.702 53.050 0.051 0.000 0.857 678 N CB -0.303 38.168 38.487 -0.026 0.000 1.013 678 N HN 0.347 nan 8.380 nan 0.000 0.426 682 M N 0.257 119.946 119.600 0.148 0.000 2.117 682 M HA -0.150 4.323 4.480 -0.011 0.000 0.262 682 M C 1.976 178.335 176.300 0.099 0.000 1.065 682 M CA 1.767 57.129 55.300 0.104 0.000 1.114 682 M CB -0.050 32.606 32.600 0.093 0.000 1.361 682 M HN 0.316 nan 8.290 nan 0.000 0.408 683 L N 0.602 121.879 121.223 0.089 0.000 2.291 683 L HA -0.072 4.261 4.340 -0.011 0.000 0.214 683 L C 1.295 178.213 176.870 0.079 0.000 1.120 683 L CA 1.579 56.477 54.840 0.098 0.000 0.799 683 L CB -0.544 41.582 42.059 0.112 0.000 0.925 683 L HN 0.324 nan 8.230 nan 0.000 0.446 684 N N -0.300 118.436 118.700 0.060 0.000 2.235 684 N HA 0.177 4.910 4.740 -0.011 0.000 0.209 684 N C 0.837 176.384 175.510 0.063 0.000 1.122 684 N CA 0.782 53.861 53.050 0.047 0.000 0.845 684 N CB 0.617 39.106 38.487 0.003 0.000 1.004 684 N HN 0.377 nan 8.380 nan 0.000 0.499 685 G N 0.622 109.467 108.800 0.074 0.000 2.142 685 G HA2 -0.199 3.754 3.960 -0.011 0.000 0.225 685 G HA3 -0.199 3.754 3.960 -0.011 0.000 0.225 685 G C 0.001 174.973 174.900 0.120 0.000 1.015 685 G CA 0.139 45.283 45.100 0.074 0.000 0.716 685 G HN 0.520 nan 8.290 nan 0.000 0.508 686 A N -0.374 122.528 122.820 0.138 0.000 2.312 686 A HA 0.887 5.200 4.320 -0.011 0.000 0.328 686 A C 0.433 178.032 177.584 0.025 0.000 1.158 686 A CA -0.605 51.532 52.037 0.166 0.000 0.821 686 A CB 0.985 20.144 19.000 0.265 0.000 1.170 686 A HN 0.729 nan 8.150 nan 0.000 0.490 687 L N 0.674 121.873 121.223 -0.040 0.000 2.399 687 L HA 0.462 4.795 4.340 -0.011 0.000 0.265 687 L C 0.191 176.936 176.870 -0.209 0.000 1.089 687 L CA -0.374 54.343 54.840 -0.204 0.000 0.802 687 L CB 1.526 43.370 42.059 -0.358 0.000 1.180 687 L HN 0.678 nan 8.230 nan 0.000 0.454 688 T N 2.561 116.868 114.554 -0.412 0.000 2.779 688 T HA 0.457 4.800 4.350 -0.011 0.000 0.280 688 T C -0.415 174.130 174.700 -0.258 0.000 0.987 688 T CA -0.251 61.566 62.100 -0.471 0.000 0.966 688 T CB 1.415 69.783 68.868 -0.833 0.000 0.933 688 T HN 0.341 nan 8.240 nan 0.000 0.442 689 I N 3.079 123.600 120.570 -0.082 0.000 2.321 689 I HA 0.712 4.875 4.170 -0.011 0.000 0.291 689 I C 0.146 176.391 176.117 0.213 0.000 0.998 689 I CA 0.118 61.490 61.300 0.120 0.000 1.227 689 I CB 0.366 38.391 38.000 0.043 0.000 1.368 689 I HN 0.785 nan 8.210 nan 0.000 0.466 690 G N 3.947 112.951 108.800 0.340 0.000 2.576 690 G HA2 0.440 4.393 3.960 -0.011 0.000 0.290 690 G HA3 0.440 4.393 3.960 -0.011 0.000 0.290 690 G C -0.944 173.877 174.900 -0.131 0.000 1.442 690 G CA -0.431 44.776 45.100 0.178 0.000 0.792 690 G HN 0.580 nan 8.290 nan 0.000 0.491 691 T N -1.317 113.034 114.554 -0.339 0.000 2.874 691 T HA 0.497 4.840 4.350 -0.011 0.000 0.281 691 T C 0.792 175.378 174.700 -0.189 0.000 0.994 691 T CA -0.702 61.129 62.100 -0.448 0.000 1.015 691 T CB 1.143 69.758 68.868 -0.422 0.000 1.028 691 T HN 0.268 nan 8.240 nan 0.000 0.523 692 M N 2.958 122.457 119.600 -0.168 0.000 3.445 692 M HA 0.293 4.767 4.480 -0.011 0.000 0.224 692 M C -0.386 175.862 176.300 -0.086 0.000 1.551 692 M CA 0.082 55.319 55.300 -0.105 0.000 1.671 692 M CB -2.004 30.542 32.600 -0.090 0.000 1.159 692 M HN 0.736 nan 8.290 nan 0.000 0.547 693 D N -0.136 120.220 120.400 -0.074 0.000 2.732 693 D HA 0.666 5.299 4.640 -0.011 0.000 0.229 693 D C 0.659 176.937 176.300 -0.037 0.000 1.152 693 D CA 0.751 54.720 54.000 -0.052 0.000 0.854 693 D CB 1.674 42.442 40.800 -0.053 0.000 1.590 693 D HN 0.587 nan 8.370 nan 0.000 0.468 694 G N 1.762 110.548 108.800 -0.023 0.000 2.614 694 G HA2 -0.235 3.718 3.960 -0.011 0.000 0.303 694 G HA3 -0.235 3.718 3.960 -0.011 0.000 0.303 694 G C 1.011 175.903 174.900 -0.012 0.000 1.270 694 G CA 1.036 46.127 45.100 -0.014 0.000 0.988 694 G HN 1.091 nan 8.290 nan 0.000 0.551 695 A N -0.251 122.556 122.820 -0.021 0.000 2.206 695 A HA 0.120 4.433 4.320 -0.011 0.000 0.211 695 A C 2.093 179.611 177.584 -0.110 0.000 1.158 695 A CA 1.735 53.751 52.037 -0.035 0.000 0.761 695 A CB -0.438 18.531 19.000 -0.050 0.000 0.801 695 A HN 0.622 nan 8.150 nan 0.000 0.473 696 N N 0.609 119.256 118.700 -0.087 0.000 2.137 696 N HA -0.160 4.573 4.740 -0.011 0.000 0.190 696 N C 1.598 176.990 175.510 -0.197 0.000 1.017 696 N CA 1.628 54.623 53.050 -0.090 0.000 0.859 696 N CB -0.629 37.858 38.487 0.001 0.000 1.002 696 N HN 0.303 nan 8.380 nan 0.000 0.428 697 V N 1.320 121.159 119.914 -0.125 0.000 2.287 697 V HA -0.215 3.898 4.120 -0.011 0.000 0.248 697 V C 1.992 178.016 176.094 -0.117 0.000 1.053 697 V CA 1.711 63.936 62.300 -0.125 0.000 1.027 697 V CB -0.497 31.286 31.823 -0.066 0.000 0.646 697 V HN 0.352 nan 8.190 nan 0.000 0.447 698 E N -0.551 119.633 120.200 -0.027 0.000 2.158 698 E HA -0.127 4.216 4.350 -0.011 0.000 0.191 698 E C 2.219 178.935 176.600 0.192 0.000 0.982 698 E CA 1.031 57.496 56.400 0.107 0.000 0.823 698 E CB -0.202 29.652 29.700 0.255 0.000 0.766 698 E HN 0.537 nan 8.360 nan 0.000 0.468 699 M N 0.690 120.279 119.600 -0.018 0.000 2.065 699 M HA -0.180 4.293 4.480 -0.011 0.000 0.259 699 M C 2.541 178.604 176.300 -0.395 0.000 1.069 699 M CA 1.707 56.913 55.300 -0.158 0.000 1.110 699 M CB -0.300 32.102 32.600 -0.329 0.000 1.328 699 M HN 0.145 nan 8.290 nan 0.000 0.405 700 A N -0.207 122.093 122.820 -0.867 0.000 1.933 700 A HA -0.222 4.092 4.320 -0.011 0.000 0.218 700 A C 2.013 179.396 177.584 -0.335 0.000 1.175 700 A CA 1.986 53.481 52.037 -0.904 0.000 0.628 700 A CB -0.828 17.670 19.000 -0.836 0.000 0.814 700 A HN 0.608 nan 8.150 nan 0.000 0.444 701 E N -0.412 119.667 120.200 -0.202 0.000 2.072 701 E HA -0.210 4.133 4.350 -0.011 0.000 0.191 701 E C 1.787 178.359 176.600 -0.048 0.000 0.985 701 E CA 1.197 57.540 56.400 -0.094 0.000 0.801 701 E CB -0.094 29.572 29.700 -0.057 0.000 0.750 701 E HN 0.537 nan 8.360 nan 0.000 0.452 702 E N 0.266 120.466 120.200 -0.001 0.000 2.051 702 E HA -0.158 4.185 4.350 -0.011 0.000 0.192 702 E C 1.879 178.498 176.600 0.032 0.000 0.991 702 E CA 1.245 57.665 56.400 0.033 0.000 0.799 702 E CB -0.265 29.508 29.700 0.121 0.000 0.748 702 E HN 0.374 nan 8.360 nan 0.000 0.449 703 A N 0.269 123.110 122.820 0.035 0.000 2.021 703 A HA 0.319 4.632 4.320 -0.011 0.000 0.216 703 A C 1.073 178.670 177.584 0.021 0.000 1.163 703 A CA 1.145 53.218 52.037 0.060 0.000 0.676 703 A CB -0.060 19.030 19.000 0.151 0.000 0.818 703 A HN 0.270 nan 8.150 nan 0.000 0.453 704 G N -0.558 108.227 108.800 -0.024 0.000 3.055 704 G HA2 -0.100 3.854 3.960 -0.011 0.000 0.686 704 G HA3 -0.100 3.854 3.960 -0.011 0.000 0.686 704 G C 0.002 174.880 174.900 -0.037 0.000 1.087 704 G CA 0.018 45.099 45.100 -0.033 0.000 0.779 704 G HN 0.248 nan 8.290 nan 0.000 0.599 705 E N 1.012 121.178 120.200 -0.056 0.000 2.171 705 E HA -0.200 4.144 4.350 -0.011 0.000 0.197 705 E C 2.056 178.638 176.600 -0.031 0.000 0.997 705 E CA 1.842 58.215 56.400 -0.046 0.000 0.810 705 E CB 0.084 29.756 29.700 -0.047 0.000 0.738 705 E HN 0.788 nan 8.360 nan 0.000 0.467 706 E N 0.634 120.803 120.200 -0.051 0.000 2.338 706 E HA -0.079 4.264 4.350 -0.011 0.000 0.197 706 E C 0.965 177.472 176.600 -0.154 0.000 1.007 706 E CA 0.585 56.931 56.400 -0.091 0.000 0.849 706 E CB -0.023 29.639 29.700 -0.064 0.000 0.774 706 E HN 0.149 nan 8.360 nan 0.000 0.506 707 N N -0.246 118.399 118.700 -0.091 0.000 2.276 707 N HA 0.145 4.879 4.740 -0.011 0.000 0.212 707 N C -0.986 174.468 175.510 -0.092 0.000 1.127 707 N CA 0.117 53.097 53.050 -0.116 0.000 0.834 707 N CB 0.342 38.814 38.487 -0.025 0.000 1.014 707 N HN 0.051 nan 8.380 nan 0.000 0.491 708 F N -0.376 119.355 119.950 -0.365 0.000 2.601 708 F HA 0.391 4.910 4.527 -0.012 0.000 0.309 708 F C -0.990 174.575 175.800 -0.391 0.000 1.089 708 F CA -1.090 56.742 58.000 -0.279 0.000 0.940 708 F CB 1.349 40.274 39.000 -0.126 0.000 1.273 708 F HN -0.220 nan 8.300 nan 0.000 0.450 709 F N 5.491 125.429 119.950 -0.020 0.000 2.329 709 F HA 0.449 4.969 4.527 -0.011 0.000 0.362 709 F C -0.127 175.796 175.800 0.206 0.000 1.113 709 F CA -0.390 57.648 58.000 0.063 0.000 1.212 709 F CB 0.100 39.087 39.000 -0.021 0.000 1.509 709 F HN 0.070 nan 8.300 nan 0.000 0.546 710 I N 4.142 124.908 120.570 0.327 0.000 2.396 710 I HA 0.406 4.569 4.170 -0.011 0.000 0.292 710 I C -0.280 176.022 176.117 0.309 0.000 0.999 710 I CA -0.638 60.823 61.300 0.268 0.000 1.310 710 I CB 0.892 38.978 38.000 0.143 0.000 1.404 710 I HN 0.374 nan 8.210 nan 0.000 0.496 711 F N 3.587 123.602 119.950 0.108 0.000 2.685 711 F HA 0.927 5.447 4.527 -0.012 0.000 0.315 711 F C -0.012 175.826 175.800 0.064 0.000 1.126 711 F CA -0.588 57.465 58.000 0.088 0.000 0.950 711 F CB 0.992 40.058 39.000 0.109 0.000 1.360 711 F HN 0.776 nan 8.300 nan 0.000 0.469 712 G N 1.039 109.906 108.800 0.112 0.000 2.728 712 G HA2 -0.071 3.882 3.960 -0.011 0.000 0.294 712 G HA3 -0.071 3.882 3.960 -0.011 0.000 0.294 712 G C -0.917 173.957 174.900 -0.043 0.000 1.342 712 G CA -0.632 44.471 45.100 0.005 0.000 0.866 712 G HN 0.954 nan 8.290 nan 0.000 0.534 713 M N 0.929 120.512 119.600 -0.028 0.000 2.248 713 M HA 0.212 4.685 4.480 -0.011 0.000 0.345 713 M C 1.225 177.491 176.300 -0.056 0.000 1.243 713 M CA 0.005 55.295 55.300 -0.017 0.000 1.090 713 M CB 0.291 32.890 32.600 -0.002 0.000 1.683 713 M HN 0.505 nan 8.290 nan 0.000 0.450 714 R N 1.783 122.263 120.500 -0.033 0.000 2.583 714 R HA 0.214 4.547 4.340 -0.011 0.000 0.268 714 R C 1.241 177.523 176.300 -0.030 0.000 1.101 714 R CA -0.474 55.602 56.100 -0.040 0.000 1.180 714 R CB -0.018 30.266 30.300 -0.027 0.000 1.128 714 R HN 0.587 nan 8.270 nan 0.000 0.568 715 V N 1.569 121.464 119.914 -0.032 0.000 2.317 715 V HA -0.291 3.822 4.120 -0.011 0.000 0.251 715 V C 1.900 177.984 176.094 -0.016 0.000 1.065 715 V CA 2.110 64.395 62.300 -0.025 0.000 1.049 715 V CB -0.514 31.293 31.823 -0.027 0.000 0.651 715 V HN 0.640 nan 8.190 nan 0.000 0.450 716 E N 0.153 120.345 120.200 -0.013 0.000 2.110 716 E HA -0.187 4.156 4.350 -0.011 0.000 0.193 716 E C 1.985 178.589 176.600 0.007 0.000 0.988 716 E CA 1.439 57.837 56.400 -0.004 0.000 0.804 716 E CB -0.347 29.351 29.700 -0.003 0.000 0.745 716 E HN 0.642 nan 8.360 nan 0.000 0.458 717 D N -0.131 120.275 120.400 0.011 0.000 2.144 717 D HA -0.096 4.538 4.640 -0.011 0.000 0.200 717 D C 1.976 178.295 176.300 0.030 0.000 0.978 717 D CA 0.850 54.866 54.000 0.028 0.000 0.833 717 D CB 0.002 40.822 40.800 0.034 0.000 0.961 717 D HN 0.074 nan 8.370 nan 0.000 0.470 718 V N 1.929 121.849 119.914 0.010 0.000 2.295 718 V HA -0.214 3.899 4.120 -0.011 0.000 0.246 718 V C 1.965 178.064 176.094 0.007 0.000 1.049 718 V CA 1.696 63.996 62.300 -0.001 0.000 1.024 718 V CB -0.446 31.366 31.823 -0.018 0.000 0.648 718 V HN 0.011 nan 8.190 nan 0.000 0.447 719 D N -0.044 120.359 120.400 0.005 0.000 2.123 719 D HA -0.156 4.477 4.640 -0.011 0.000 0.196 719 D C 2.395 178.708 176.300 0.022 0.000 0.992 719 D CA 1.250 55.255 54.000 0.007 0.000 0.833 719 D CB -0.300 40.500 40.800 -0.000 0.000 0.954 719 D HN 0.332 nan 8.370 nan 0.000 0.455 720 R N 0.046 120.563 120.500 0.029 0.000 2.091 720 R HA -0.054 4.280 4.340 -0.011 0.000 0.238 720 R C 2.468 178.804 176.300 0.061 0.000 1.136 720 R CA 0.640 56.764 56.100 0.041 0.000 0.959 720 R CB -0.371 29.955 30.300 0.044 0.000 0.856 720 R HN 0.207 nan 8.270 nan 0.000 0.437 721 L N 0.416 121.684 121.223 0.076 0.000 2.093 721 L HA -0.183 4.150 4.340 -0.011 0.000 0.208 721 L C 1.450 178.389 176.870 0.114 0.000 1.085 721 L CA 1.246 56.158 54.840 0.121 0.000 0.755 721 L CB -0.231 41.919 42.059 0.151 0.000 0.904 721 L HN 0.230 nan 8.230 nan 0.000 0.435 722 D N -0.406 120.035 120.400 0.069 0.000 2.117 722 D HA -0.208 4.425 4.640 -0.011 0.000 0.197 722 D C 2.203 178.535 176.300 0.053 0.000 0.987 722 D CA 1.160 55.193 54.000 0.055 0.000 0.829 722 D CB -0.006 40.806 40.800 0.019 0.000 0.961 722 D HN 0.413 nan 8.370 nan 0.000 0.460 723 Q N -0.074 119.752 119.800 0.044 0.000 2.167 723 Q HA -0.071 4.262 4.340 -0.011 0.000 0.202 723 Q C 2.213 178.239 176.000 0.043 0.000 0.970 723 Q CA 0.777 56.602 55.803 0.036 0.000 0.855 723 Q CB 0.107 28.863 28.738 0.029 0.000 0.911 723 Q HN 0.133 nan 8.270 nan 0.000 0.438 724 R N -0.327 120.207 120.500 0.056 0.000 2.093 724 R HA 0.021 4.354 4.340 -0.011 0.000 0.224 724 R C -0.099 176.240 176.300 0.065 0.000 1.101 724 R CA 0.940 57.075 56.100 0.058 0.000 0.979 724 R CB 0.315 30.657 30.300 0.070 0.000 0.877 724 R HN 0.260 nan 8.270 nan 0.000 0.441 725 G N -0.077 108.777 108.800 0.089 0.000 3.444 725 G HA2 -0.242 3.711 3.960 -0.011 0.000 0.685 725 G HA3 -0.242 3.711 3.960 -0.011 0.000 0.685 725 G C -1.367 173.624 174.900 0.151 0.000 1.145 725 G CA -0.427 44.733 45.100 0.101 0.000 0.973 725 G HN 0.275 nan 8.290 nan 0.000 0.525 726 Y N 3.643 123.977 120.300 0.057 0.000 2.480 726 Y HA 0.485 5.028 4.550 -0.011 0.000 0.341 726 Y C 0.568 176.523 175.900 0.093 0.000 1.031 726 Y CA -0.412 57.740 58.100 0.087 0.000 1.295 726 Y CB 0.742 39.236 38.460 0.056 0.000 1.162 726 Y HN 0.565 nan 8.280 nan 0.000 0.523 727 N N 5.258 123.733 118.700 -0.376 0.000 2.626 727 N HA 0.343 5.076 4.740 -0.011 0.000 0.242 727 N C 0.257 175.518 175.510 -0.415 0.000 1.005 727 N CA 0.203 53.046 53.050 -0.346 0.000 0.905 727 N CB 1.110 39.519 38.487 -0.129 0.000 1.128 727 N HN 0.878 nan 8.380 nan 0.000 0.512 728 A N 2.866 125.341 122.820 -0.576 0.000 1.972 728 A HA -0.224 4.090 4.320 -0.011 0.000 0.219 728 A C 2.013 179.722 177.584 0.209 0.000 1.169 728 A CA 1.321 53.249 52.037 -0.181 0.000 0.635 728 A CB -0.412 18.391 19.000 -0.328 0.000 0.810 728 A HN 0.766 nan 8.150 nan 0.000 0.446 729 Q N 0.324 120.139 119.800 0.025 0.000 2.133 729 Q HA -0.262 4.071 4.340 -0.011 0.000 0.208 729 Q C 1.890 177.960 176.000 0.116 0.000 0.991 729 Q CA 2.461 58.302 55.803 0.063 0.000 0.867 729 Q CB -0.408 28.320 28.738 -0.016 0.000 0.911 729 Q HN 0.778 nan 8.270 nan 0.000 0.417 730 E N -1.421 118.783 120.200 0.006 0.000 2.070 730 E HA -0.260 4.083 4.350 -0.011 0.000 0.197 730 E C 1.636 178.157 176.600 -0.132 0.000 1.004 730 E CA 1.630 57.958 56.400 -0.119 0.000 0.805 730 E CB -0.278 29.248 29.700 -0.290 0.000 0.744 730 E HN 0.623 nan 8.360 nan 0.000 0.451 731 Y N -1.123 119.244 120.300 0.111 0.000 2.200 731 Y HA -0.200 4.343 4.550 -0.011 0.000 0.290 731 Y C 2.254 178.155 175.900 0.002 0.000 1.137 731 Y CA 1.499 59.654 58.100 0.091 0.000 1.163 731 Y CB -0.713 37.857 38.460 0.183 0.000 0.988 731 Y HN 0.226 nan 8.280 nan 0.000 0.518 732 Y N 1.366 121.699 120.300 0.055 0.000 2.165 732 Y HA -0.284 4.260 4.550 -0.011 0.000 0.286 732 Y C 1.803 177.671 175.900 -0.053 0.000 1.155 732 Y CA 1.887 59.943 58.100 -0.074 0.000 1.164 732 Y CB -0.391 38.075 38.460 0.010 0.000 0.978 732 Y HN 0.085 nan 8.280 nan 0.000 0.513 733 D N -0.387 120.096 120.400 0.140 0.000 2.183 733 D HA -0.087 4.546 4.640 -0.011 0.000 0.203 733 D C 1.790 178.062 176.300 -0.046 0.000 0.969 733 D CA 1.202 55.230 54.000 0.046 0.000 0.842 733 D CB -0.085 40.763 40.800 0.081 0.000 0.957 733 D HN 0.481 nan 8.370 nan 0.000 0.484 734 R N -0.266 120.208 120.500 -0.043 0.000 2.334 734 R HA 0.294 4.627 4.340 -0.011 0.000 0.212 734 R C 0.267 176.546 176.300 -0.035 0.000 0.897 734 R CA 0.059 56.135 56.100 -0.040 0.000 1.056 734 R CB 1.202 31.478 30.300 -0.039 0.000 1.046 734 R HN 0.136 nan 8.270 nan 0.000 0.513 735 I N 1.965 122.494 120.570 -0.069 0.000 2.495 735 I HA 0.234 4.398 4.170 -0.011 0.000 0.277 735 I C -1.996 174.026 176.117 -0.157 0.000 1.045 735 I CA -2.315 58.948 61.300 -0.063 0.000 1.135 735 I CB 2.183 40.179 38.000 -0.006 0.000 1.241 735 I HN -0.294 nan 8.210 nan 0.000 0.469 736 P HA -0.158 nan 4.420 nan 0.000 0.216 736 P C 1.199 178.402 177.300 -0.162 0.000 1.150 736 P CA 1.379 64.385 63.100 -0.156 0.000 0.837 736 P CB 0.334 31.977 31.700 -0.096 0.000 0.786 737 E N -0.924 119.217 120.200 -0.100 0.000 2.077 737 E HA -0.166 4.177 4.350 -0.011 0.000 0.193 737 E C 1.891 178.390 176.600 -0.170 0.000 0.989 737 E CA 0.729 57.086 56.400 -0.072 0.000 0.800 737 E CB -0.656 29.072 29.700 0.047 0.000 0.746 737 E HN 0.099 nan 8.360 nan 0.000 0.452 738 L N 1.421 122.455 121.223 -0.315 0.000 2.046 738 L HA -0.175 4.158 4.340 -0.011 0.000 0.208 738 L C 2.370 178.972 176.870 -0.447 0.000 1.077 738 L CA 1.687 56.174 54.840 -0.588 0.000 0.747 738 L CB -0.354 41.214 42.059 -0.818 0.000 0.896 738 L HN -0.055 nan 8.230 nan 0.000 0.432 739 R N -0.934 119.283 120.500 -0.472 0.000 2.083 739 R HA -0.244 4.089 4.340 -0.011 0.000 0.237 739 R C 2.406 178.540 176.300 -0.277 0.000 1.137 739 R CA 2.036 57.773 56.100 -0.604 0.000 0.951 739 R CB -0.385 29.471 30.300 -0.740 0.000 0.851 739 R HN 0.581 nan 8.270 nan 0.000 0.434 740 Q N 0.380 120.054 119.800 -0.209 0.000 2.096 740 Q HA -0.198 4.135 4.340 -0.011 0.000 0.204 740 Q C 2.095 178.046 176.000 -0.082 0.000 0.982 740 Q CA 2.010 57.736 55.803 -0.127 0.000 0.850 740 Q CB -0.109 28.555 28.738 -0.123 0.000 0.901 740 Q HN 0.474 nan 8.270 nan 0.000 0.422 741 I N 0.519 121.036 120.570 -0.087 0.000 2.179 741 I HA -0.289 3.874 4.170 -0.011 0.000 0.242 741 I C 2.105 178.247 176.117 0.041 0.000 1.088 741 I CA 0.647 61.934 61.300 -0.021 0.000 1.357 741 I CB -0.308 37.651 38.000 -0.070 0.000 1.051 741 I HN 0.283 nan 8.210 nan 0.000 0.409 742 I N 0.836 121.430 120.570 0.040 0.000 2.286 742 I HA -0.239 3.924 4.170 -0.011 0.000 0.248 742 I C 2.431 178.651 176.117 0.172 0.000 1.115 742 I CA 1.666 63.057 61.300 0.152 0.000 1.392 742 I CB -1.290 36.887 38.000 0.296 0.000 1.065 742 I HN 0.358 nan 8.210 nan 0.000 0.418 743 E N 0.325 120.607 120.200 0.138 0.000 2.107 743 E HA -0.210 4.134 4.350 -0.011 0.000 0.191 743 E C 2.170 178.838 176.600 0.113 0.000 0.982 743 E CA 0.770 57.243 56.400 0.122 0.000 0.809 743 E CB -0.107 29.637 29.700 0.074 0.000 0.756 743 E HN 0.564 nan 8.360 nan 0.000 0.459 744 Q N 0.559 120.410 119.800 0.084 0.000 2.061 744 Q HA -0.162 4.171 4.340 -0.011 0.000 0.204 744 Q C 2.350 178.540 176.000 0.316 0.000 0.984 744 Q CA 1.132 57.004 55.803 0.115 0.000 0.846 744 Q CB -0.092 28.651 28.738 0.007 0.000 0.902 744 Q HN 0.302 nan 8.270 nan 0.000 0.421 745 L N -0.119 121.295 121.223 0.318 0.000 2.017 745 L HA -0.195 4.138 4.340 -0.011 0.000 0.208 745 L C 2.480 179.536 176.870 0.311 0.000 1.073 745 L CA 1.039 56.085 54.840 0.343 0.000 0.745 745 L CB -0.398 41.779 42.059 0.196 0.000 0.894 745 L HN 0.153 nan 8.230 nan 0.000 0.432 746 S N -0.221 115.615 115.700 0.227 0.000 2.368 746 S HA -0.161 4.302 4.470 -0.011 0.000 0.225 746 S C 2.112 176.814 174.600 0.170 0.000 1.030 746 S CA 1.587 59.898 58.200 0.185 0.000 0.999 746 S CB -0.252 63.037 63.200 0.148 0.000 0.844 746 S HN 0.607 nan 8.310 nan 0.000 0.459 747 S N 0.379 116.181 115.700 0.169 0.000 2.489 747 S HA 0.297 4.760 4.470 -0.011 0.000 0.228 747 S C 1.443 176.132 174.600 0.149 0.000 0.995 747 S CA 0.778 59.063 58.200 0.141 0.000 0.934 747 S CB -0.059 63.217 63.200 0.127 0.000 0.771 747 S HN 0.852 nan 8.310 nan 0.000 0.522 748 G N 0.391 109.313 108.800 0.203 0.000 2.141 748 G HA2 -0.239 3.714 3.960 -0.011 0.000 0.164 748 G HA3 -0.239 3.714 3.960 -0.011 0.000 0.164 748 G C 0.154 175.152 174.900 0.164 0.000 1.009 748 G CA 0.046 45.255 45.100 0.182 0.000 0.677 748 G HN 0.464 nan 8.290 nan 0.000 0.508 749 F N 0.400 120.362 119.950 0.019 0.000 2.161 749 F HA 0.181 4.701 4.527 -0.011 0.000 0.300 749 F C 1.870 177.478 175.800 -0.320 0.000 1.089 749 F CA 1.976 59.861 58.000 -0.193 0.000 1.282 749 F CB -0.029 38.772 39.000 -0.331 0.000 1.010 749 F HN 0.177 nan 8.300 nan 0.000 0.485 750 F N -0.469 119.623 119.950 0.237 0.000 2.727 750 F HA 0.197 4.718 4.527 -0.011 0.000 0.302 750 F C 0.689 176.602 175.800 0.187 0.000 1.097 750 F CA 0.255 58.350 58.000 0.159 0.000 1.330 750 F CB -0.088 39.019 39.000 0.178 0.000 1.084 750 F HN -0.040 nan 8.300 nan 0.000 0.578 751 S N -1.692 114.163 115.700 0.259 0.000 2.440 751 S HA 0.331 4.794 4.470 -0.011 0.000 0.142 751 S C -2.476 172.144 174.600 0.032 0.000 1.578 751 S CA -1.072 57.197 58.200 0.115 0.000 1.260 751 S CB 0.962 64.172 63.200 0.016 0.000 1.407 751 S HN -0.189 nan 8.310 nan 0.000 0.392 752 P HA -0.071 nan 4.420 nan 0.000 0.215 752 P C 1.072 178.362 177.300 -0.016 0.000 1.153 752 P CA 1.285 64.364 63.100 -0.035 0.000 0.853 752 P CB 0.103 31.759 31.700 -0.073 0.000 0.788 753 K N -1.167 119.225 120.400 -0.013 0.000 2.305 753 K HA 0.018 4.331 4.320 -0.011 0.000 0.199 753 K C 0.654 177.252 176.600 -0.004 0.000 1.047 753 K CA 0.730 57.013 56.287 -0.007 0.000 0.976 753 K CB 0.072 32.570 32.500 -0.004 0.000 0.765 753 K HN 0.302 nan 8.250 nan 0.000 0.474 754 Q N -0.122 119.672 119.800 -0.010 0.000 3.064 754 Q HA 0.160 4.493 4.340 -0.011 0.000 0.258 754 Q C -2.399 173.587 176.000 -0.023 0.000 0.972 754 Q CA -1.637 54.155 55.803 -0.019 0.000 0.761 754 Q CB 1.482 30.201 28.738 -0.032 0.000 1.281 754 Q HN -0.082 nan 8.270 nan 0.000 0.455 755 P HA -0.218 nan 4.420 nan 0.000 0.217 755 P C 0.686 178.014 177.300 0.047 0.000 1.148 755 P CA 1.447 64.570 63.100 0.039 0.000 0.828 755 P CB 0.201 31.927 31.700 0.043 0.000 0.783 756 D N -1.407 119.005 120.400 0.020 0.000 2.328 756 D HA -0.019 4.614 4.640 -0.011 0.000 0.221 756 D C 1.638 177.929 176.300 -0.015 0.000 1.072 756 D CA -0.184 53.834 54.000 0.031 0.000 0.850 756 D CB -0.829 39.993 40.800 0.035 0.000 0.922 756 D HN 0.010 nan 8.370 nan 0.000 0.516 757 L N 0.040 121.185 121.223 -0.130 0.000 2.021 757 L HA -0.110 4.223 4.340 -0.011 0.000 0.215 757 L C 1.182 177.842 176.870 -0.349 0.000 1.074 757 L CA 1.712 56.353 54.840 -0.331 0.000 0.760 757 L CB -0.636 41.022 42.059 -0.669 0.000 0.889 757 L HN 0.012 nan 8.230 nan 0.000 0.433 758 F N -0.619 119.387 119.950 0.094 0.000 2.730 758 F HA 0.140 4.660 4.527 -0.011 0.000 0.295 758 F C 1.778 177.629 175.800 0.085 0.000 1.143 758 F CA -0.195 57.850 58.000 0.075 0.000 1.367 758 F CB -0.388 38.643 39.000 0.051 0.000 0.970 758 F HN 0.116 nan 8.300 nan 0.000 0.514 759 K N -0.568 119.946 120.400 0.190 0.000 2.147 759 K HA -0.150 4.163 4.320 -0.011 0.000 0.205 759 K C 0.922 177.621 176.600 0.164 0.000 1.049 759 K CA 1.756 58.139 56.287 0.160 0.000 0.936 759 K CB -0.175 32.395 32.500 0.117 0.000 0.722 759 K HN 0.072 nan 8.250 nan 0.000 0.446 760 D N 1.415 121.927 120.400 0.186 0.000 2.117 760 D HA -0.075 4.558 4.640 -0.011 0.000 0.198 760 D C 2.044 178.443 176.300 0.165 0.000 0.982 760 D CA 1.097 55.219 54.000 0.203 0.000 0.828 760 D CB -0.098 40.865 40.800 0.272 0.000 0.967 760 D HN 0.296 nan 8.370 nan 0.000 0.464 761 I N 0.539 121.207 120.570 0.162 0.000 2.202 761 I HA -0.215 3.948 4.170 -0.011 0.000 0.242 761 I C 2.445 178.594 176.117 0.053 0.000 1.091 761 I CA 0.628 61.986 61.300 0.097 0.000 1.368 761 I CB -0.297 37.757 38.000 0.091 0.000 1.058 761 I HN -0.115 nan 8.210 nan 0.000 0.410 762 V N 1.236 121.207 119.914 0.094 0.000 2.255 762 V HA -0.319 3.794 4.120 -0.011 0.000 0.247 762 V C 2.260 178.360 176.094 0.009 0.000 1.051 762 V CA 2.481 64.825 62.300 0.073 0.000 1.018 762 V CB -1.024 30.869 31.823 0.117 0.000 0.641 762 V HN 0.469 nan 8.190 nan 0.000 0.445 763 N N -0.207 118.529 118.700 0.060 0.000 2.104 763 N HA -0.228 4.506 4.740 -0.011 0.000 0.190 763 N C 1.844 177.268 175.510 -0.144 0.000 1.024 763 N CA 1.914 55.024 53.050 0.100 0.000 0.853 763 N CB -0.293 38.306 38.487 0.187 0.000 1.008 763 N HN 0.340 nan 8.380 nan 0.000 0.424 764 M N -0.283 119.155 119.600 -0.270 0.000 2.086 764 M HA -0.108 4.365 4.480 -0.011 0.000 0.261 764 M C 1.406 177.442 176.300 -0.439 0.000 1.067 764 M CA 1.295 56.212 55.300 -0.639 0.000 1.116 764 M CB -0.619 31.860 32.600 -0.202 0.000 1.348 764 M HN 0.208 nan 8.290 nan 0.000 0.407 765 L N 0.586 121.635 121.223 -0.291 0.000 2.046 765 L HA -0.195 4.138 4.340 -0.011 0.000 0.208 765 L C 2.414 178.940 176.870 -0.575 0.000 1.077 765 L CA 1.603 56.191 54.840 -0.420 0.000 0.747 765 L CB -1.088 40.797 42.059 -0.290 0.000 0.896 765 L HN 0.346 nan 8.230 nan 0.000 0.432 766 M N -1.979 117.351 119.600 -0.450 0.000 2.334 766 M HA -0.044 4.430 4.480 -0.011 0.000 0.266 766 M C 1.733 177.603 176.300 -0.716 0.000 1.082 766 M CA 1.351 56.291 55.300 -0.600 0.000 1.141 766 M CB -0.694 31.461 32.600 -0.742 0.000 1.380 766 M HN 0.342 nan 8.290 nan 0.000 0.440 767 H N -1.981 116.987 119.070 -0.169 0.000 3.205 767 H HA 0.190 4.739 4.556 -0.011 0.000 0.252 767 H C 0.088 175.434 175.328 0.031 0.000 1.015 767 H CA 0.571 56.584 56.048 -0.058 0.000 1.192 767 H CB 0.319 30.099 29.762 0.030 0.000 1.474 767 H HN 0.573 nan 8.280 nan 0.000 0.484 768 H N -1.310 117.813 119.070 0.087 0.000 2.947 768 H HA 0.274 4.824 4.556 -0.011 0.000 0.222 768 H C -1.211 174.134 175.328 0.028 0.000 1.414 768 H CA -0.641 55.445 56.048 0.064 0.000 1.224 768 H CB -0.098 29.705 29.762 0.068 0.000 2.100 768 H HN -0.124 nan 8.280 nan 0.000 0.524 769 D N 1.377 121.779 120.400 0.004 0.000 2.411 769 D HA 0.142 4.775 4.640 -0.011 0.000 0.225 769 D C 0.869 177.099 176.300 -0.117 0.000 1.156 769 D CA -0.457 53.521 54.000 -0.036 0.000 0.874 769 D CB 0.779 41.535 40.800 -0.074 0.000 1.034 769 D HN 0.481 nan 8.370 nan 0.000 0.502 770 R N 2.332 122.666 120.500 -0.278 0.000 2.237 770 R HA -0.037 4.296 4.340 -0.011 0.000 0.219 770 R C 0.547 176.360 176.300 -0.812 0.000 1.080 770 R CA 0.884 56.608 56.100 -0.627 0.000 0.995 770 R CB 0.102 29.807 30.300 -0.993 0.000 0.875 770 R HN 0.419 nan 8.270 nan 0.000 0.462 771 F N 0.105 119.997 119.950 -0.097 0.000 2.688 771 F HA 0.281 4.801 4.527 -0.011 0.000 0.310 771 F C 0.032 175.697 175.800 -0.224 0.000 1.098 771 F CA -0.709 57.222 58.000 -0.114 0.000 1.228 771 F CB 0.287 39.280 39.000 -0.013 0.000 1.042 771 F HN -0.252 nan 8.300 nan 0.000 0.557 772 K N -0.363 119.835 120.400 -0.337 0.000 3.150 772 K HA -0.171 4.142 4.320 -0.011 0.000 0.267 772 K C 0.966 177.439 176.600 -0.212 0.000 1.028 772 K CA 0.212 56.118 56.287 -0.633 0.000 0.753 772 K CB -1.899 30.176 32.500 -0.708 0.000 1.288 772 K HN 0.205 nan 8.250 nan 0.000 0.473 773 V N 0.009 119.879 119.914 -0.075 0.000 2.282 773 V HA -0.295 3.818 4.120 -0.011 0.000 0.249 773 V C 1.955 178.188 176.094 0.231 0.000 1.057 773 V CA 2.379 64.721 62.300 0.069 0.000 1.032 773 V CB -0.496 31.372 31.823 0.076 0.000 0.645 773 V HN 0.490 nan 8.190 nan 0.000 0.447 774 F N 0.149 120.095 119.950 -0.007 0.000 2.216 774 F HA -0.175 4.345 4.527 -0.012 0.000 0.300 774 F C 2.521 178.098 175.800 -0.372 0.000 1.085 774 F CA 0.621 58.558 58.000 -0.104 0.000 1.326 774 F CB -0.389 38.570 39.000 -0.069 0.000 1.027 774 F HN 0.200 nan 8.300 nan 0.000 0.497 775 A N -0.423 122.228 122.820 -0.281 0.000 2.019 775 A HA -0.198 4.116 4.320 -0.011 0.000 0.219 775 A C 1.447 179.015 177.584 -0.026 0.000 1.164 775 A CA 1.899 53.698 52.037 -0.397 0.000 0.644 775 A CB -0.456 18.459 19.000 -0.141 0.000 0.805 775 A HN 0.235 nan 8.150 nan 0.000 0.449 776 D N -2.863 117.585 120.400 0.080 0.000 2.369 776 D HA 0.092 4.725 4.640 -0.011 0.000 0.211 776 D C 1.154 177.611 176.300 0.261 0.000 1.077 776 D CA -0.038 54.085 54.000 0.206 0.000 0.842 776 D CB -0.125 40.814 40.800 0.232 0.000 0.947 776 D HN 0.589 nan 8.370 nan 0.000 0.509 777 Y N 2.105 122.476 120.300 0.118 0.000 2.097 777 Y HA -0.217 4.327 4.550 -0.011 0.000 0.282 777 Y C 2.107 178.078 175.900 0.119 0.000 1.152 777 Y CA 1.876 60.054 58.100 0.131 0.000 1.136 777 Y CB 0.164 38.668 38.460 0.073 0.000 0.975 777 Y HN -0.117 nan 8.280 nan 0.000 0.498 778 E N 0.006 120.280 120.200 0.123 0.000 2.038 778 E HA -0.254 4.089 4.350 -0.011 0.000 0.195 778 E C 2.152 178.722 176.600 -0.049 0.000 1.000 778 E CA 1.710 58.114 56.400 0.007 0.000 0.803 778 E CB -0.176 29.621 29.700 0.161 0.000 0.750 778 E HN 0.650 nan 8.360 nan 0.000 0.448 779 E N -0.314 119.927 120.200 0.069 0.000 2.150 779 E HA -0.189 4.154 4.350 -0.011 0.000 0.193 779 E C 1.901 178.481 176.600 -0.033 0.000 0.985 779 E CA 0.628 57.088 56.400 0.099 0.000 0.814 779 E CB -0.114 29.736 29.700 0.250 0.000 0.752 779 E HN 0.273 nan 8.360 nan 0.000 0.466 780 Y N 1.365 121.450 120.300 -0.359 0.000 2.133 780 Y HA -0.222 4.321 4.550 -0.011 0.000 0.287 780 Y C 2.166 177.660 175.900 -0.676 0.000 1.134 780 Y CA 0.977 58.543 58.100 -0.890 0.000 1.133 780 Y CB -0.530 37.463 38.460 -0.779 0.000 0.987 780 Y HN -0.216 nan 8.280 nan 0.000 0.502 781 V N 0.436 119.976 119.914 -0.623 0.000 2.287 781 V HA -0.320 3.793 4.120 -0.011 0.000 0.248 781 V C 2.364 178.219 176.094 -0.398 0.000 1.053 781 V CA 2.369 64.320 62.300 -0.582 0.000 1.027 781 V CB -0.685 30.823 31.823 -0.525 0.000 0.646 781 V HN 0.222 nan 8.190 nan 0.000 0.447 782 K N -0.615 119.622 120.400 -0.273 0.000 2.032 782 K HA -0.206 4.107 4.320 -0.011 0.000 0.209 782 K C 2.274 178.783 176.600 -0.152 0.000 1.048 782 K CA 1.916 58.111 56.287 -0.154 0.000 0.927 782 K CB -0.842 31.616 32.500 -0.071 0.000 0.712 782 K HN 0.557 nan 8.250 nan 0.000 0.441 783 C N 0.807 119.991 119.300 -0.193 0.000 2.425 783 C HA -0.078 4.375 4.460 -0.011 0.000 0.277 783 C C 2.481 177.305 174.990 -0.278 0.000 1.280 783 C CA 0.703 59.640 59.018 -0.135 0.000 1.744 783 C CB -0.724 26.966 27.740 -0.083 0.000 1.989 783 C HN 0.473 nan 8.230 nan 0.000 0.491 784 Q N 0.513 120.002 119.800 -0.517 0.000 2.170 784 Q HA -0.176 4.157 4.340 -0.011 0.000 0.203 784 Q C 2.007 177.816 176.000 -0.318 0.000 0.976 784 Q CA 1.662 57.120 55.803 -0.575 0.000 0.858 784 Q CB -0.405 27.735 28.738 -0.996 0.000 0.907 784 Q HN 0.762 nan 8.270 nan 0.000 0.433 785 E N 0.202 120.271 120.200 -0.218 0.000 2.077 785 E HA -0.149 4.195 4.350 -0.011 0.000 0.193 785 E C 2.092 178.656 176.600 -0.060 0.000 0.989 785 E CA 0.616 56.951 56.400 -0.108 0.000 0.800 785 E CB -0.045 29.610 29.700 -0.075 0.000 0.746 785 E HN 0.277 nan 8.360 nan 0.000 0.452 786 R N 0.511 120.987 120.500 -0.040 0.000 2.096 786 R HA -0.104 4.229 4.340 -0.011 0.000 0.235 786 R C 2.446 178.770 176.300 0.040 0.000 1.127 786 R CA 1.017 57.163 56.100 0.077 0.000 0.968 786 R CB -0.425 30.000 30.300 0.208 0.000 0.861 786 R HN 0.075 nan 8.270 nan 0.000 0.440 787 V N 0.706 120.441 119.914 -0.299 0.000 2.261 787 V HA -0.255 3.858 4.120 -0.011 0.000 0.246 787 V C 2.255 178.331 176.094 -0.029 0.000 1.047 787 V CA 2.036 64.056 62.300 -0.468 0.000 1.015 787 V CB -0.478 30.956 31.823 -0.648 0.000 0.642 787 V HN 0.286 nan 8.190 nan 0.000 0.446 788 S N 0.036 115.693 115.700 -0.072 0.000 2.383 788 S HA -0.210 4.253 4.470 -0.011 0.000 0.229 788 S C 2.191 176.852 174.600 0.101 0.000 1.030 788 S CA 1.485 59.680 58.200 -0.008 0.000 1.002 788 S CB -0.525 62.647 63.200 -0.046 0.000 0.829 788 S HN 0.663 nan 8.310 nan 0.000 0.467 789 A N 1.263 124.145 122.820 0.104 0.000 1.902 789 A HA 0.006 4.320 4.320 -0.011 0.000 0.217 789 A C 2.103 179.802 177.584 0.192 0.000 1.181 789 A CA 1.079 53.197 52.037 0.135 0.000 0.623 789 A CB -0.700 18.369 19.000 0.114 0.000 0.818 789 A HN 0.463 nan 8.150 nan 0.000 0.443 790 L N -2.011 119.384 121.223 0.288 0.000 2.093 790 L HA -0.160 4.173 4.340 -0.011 0.000 0.208 790 L C 2.484 179.626 176.870 0.454 0.000 1.085 790 L CA 1.847 56.931 54.840 0.406 0.000 0.755 790 L CB -0.415 41.996 42.059 0.587 0.000 0.904 790 L HN 0.602 nan 8.230 nan 0.000 0.435 791 Y N 0.955 121.390 120.300 0.224 0.000 2.333 791 Y HA -0.263 4.281 4.550 -0.010 0.000 0.290 791 Y C 2.416 178.249 175.900 -0.112 0.000 1.144 791 Y CA 1.568 59.545 58.100 -0.205 0.000 1.228 791 Y CB -0.048 38.066 38.460 -0.575 0.000 0.985 791 Y HN 0.065 nan 8.280 nan 0.000 0.542 792 K N -0.091 120.353 120.400 0.074 0.000 2.360 792 K HA -0.163 4.150 4.320 -0.011 0.000 0.201 792 K C 0.356 176.938 176.600 -0.029 0.000 1.046 792 K CA 0.956 57.263 56.287 0.032 0.000 0.945 792 K CB -0.129 32.427 32.500 0.093 0.000 0.750 792 K HN 0.055 nan 8.250 nan 0.000 0.464 793 N N 0.223 118.925 118.700 0.003 0.000 2.898 793 N HA 0.143 4.877 4.740 -0.011 0.000 0.245 793 N C -2.431 173.084 175.510 0.008 0.000 1.185 793 N CA -2.307 50.750 53.050 0.011 0.000 0.879 793 N CB 1.156 39.680 38.487 0.062 0.000 1.157 793 N HN -0.202 nan 8.380 nan 0.000 0.503 794 P HA -0.189 nan 4.420 nan 0.000 0.216 794 P C 1.378 178.694 177.300 0.026 0.000 1.154 794 P CA 1.170 64.204 63.100 -0.110 0.000 0.865 794 P CB 0.388 31.995 31.700 -0.156 0.000 0.789 795 R N -0.026 120.487 120.500 0.022 0.000 2.081 795 R HA -0.148 4.185 4.340 -0.011 0.000 0.235 795 R C 1.926 178.270 176.300 0.073 0.000 1.131 795 R CA 1.391 57.514 56.100 0.040 0.000 0.960 795 R CB -0.342 29.972 30.300 0.023 0.000 0.856 795 R HN 0.088 nan 8.270 nan 0.000 0.436 796 E N -0.144 120.110 120.200 0.090 0.000 2.216 796 E HA -0.200 4.143 4.350 -0.011 0.000 0.192 796 E C 1.571 178.255 176.600 0.141 0.000 0.988 796 E CA 0.509 56.967 56.400 0.097 0.000 0.834 796 E CB -0.366 29.388 29.700 0.091 0.000 0.772 796 E HN 0.508 nan 8.360 nan 0.000 0.479 797 W N 2.134 123.439 121.300 0.008 0.000 2.354 797 W HA -0.186 4.467 4.660 -0.012 0.000 0.315 797 W C 1.576 178.109 176.519 0.023 0.000 1.206 797 W CA 2.069 59.433 57.345 0.033 0.000 1.290 797 W CB -0.353 29.098 29.460 -0.016 0.000 1.152 797 W HN 0.026 nan 8.180 nan 0.000 0.489 798 T N 1.055 115.746 114.554 0.228 0.000 2.867 798 T HA -0.143 4.200 4.350 -0.011 0.000 0.268 798 T C 1.839 176.553 174.700 0.023 0.000 1.057 798 T CA 1.496 63.665 62.100 0.115 0.000 1.136 798 T CB -0.253 68.666 68.868 0.086 0.000 0.874 798 T HN 0.170 nan 8.240 nan 0.000 0.466 799 R N 0.448 120.967 120.500 0.032 0.000 2.092 799 R HA 0.105 4.438 4.340 -0.011 0.000 0.231 799 R C 2.515 178.810 176.300 -0.008 0.000 1.119 799 R CA 1.155 57.272 56.100 0.028 0.000 0.970 799 R CB -0.332 29.991 30.300 0.038 0.000 0.864 799 R HN 0.353 nan 8.270 nan 0.000 0.440 800 M N 0.527 120.089 119.600 -0.065 0.000 2.117 800 M HA -0.158 4.315 4.480 -0.011 0.000 0.262 800 M C 2.017 178.235 176.300 -0.137 0.000 1.065 800 M CA 1.446 56.672 55.300 -0.123 0.000 1.114 800 M CB 0.101 32.575 32.600 -0.210 0.000 1.361 800 M HN -0.009 nan 8.290 nan 0.000 0.408 801 V N 0.977 120.782 119.914 -0.182 0.000 2.282 801 V HA -0.337 3.776 4.120 -0.011 0.000 0.249 801 V C 2.206 178.287 176.094 -0.022 0.000 1.057 801 V CA 2.195 64.423 62.300 -0.119 0.000 1.032 801 V CB -0.661 31.112 31.823 -0.083 0.000 0.645 801 V HN 0.511 nan 8.190 nan 0.000 0.447 802 I N -0.713 119.864 120.570 0.012 0.000 2.264 802 I HA -0.257 3.906 4.170 -0.011 0.000 0.248 802 I C 2.698 178.870 176.117 0.092 0.000 1.111 802 I CA 1.576 62.931 61.300 0.091 0.000 1.382 802 I CB -0.417 37.686 38.000 0.172 0.000 1.060 802 I HN 0.201 nan 8.210 nan 0.000 0.418 803 R N 0.403 120.935 120.500 0.054 0.000 2.148 803 R HA -0.104 4.229 4.340 -0.011 0.000 0.227 803 R C 2.013 178.349 176.300 0.060 0.000 1.103 803 R CA 1.094 57.224 56.100 0.049 0.000 0.983 803 R CB -0.379 29.934 30.300 0.022 0.000 0.874 803 R HN 0.542 nan 8.270 nan 0.000 0.451 804 N N 0.640 119.371 118.700 0.052 0.000 2.109 804 N HA -0.085 4.648 4.740 -0.011 0.000 0.188 804 N C 1.972 177.545 175.510 0.106 0.000 1.034 804 N CA 1.104 54.208 53.050 0.089 0.000 0.846 804 N CB -0.052 38.467 38.487 0.053 0.000 1.010 804 N HN 0.111 nan 8.380 nan 0.000 0.425 805 I N 1.686 122.307 120.570 0.085 0.000 2.194 805 I HA -0.260 3.903 4.170 -0.011 0.000 0.246 805 I C 2.453 178.625 176.117 0.091 0.000 1.093 805 I CA 1.037 62.392 61.300 0.091 0.000 1.355 805 I CB -0.365 37.683 38.000 0.079 0.000 1.046 805 I HN 0.105 nan 8.210 nan 0.000 0.413 806 A N 0.349 123.221 122.820 0.088 0.000 2.067 806 A HA -0.152 4.161 4.320 -0.011 0.000 0.219 806 A C 2.123 179.746 177.584 0.065 0.000 1.158 806 A CA 2.002 54.080 52.037 0.069 0.000 0.661 806 A CB -0.837 18.207 19.000 0.073 0.000 0.801 806 A HN 0.549 nan 8.150 nan 0.000 0.452 807 T N -2.934 111.673 114.554 0.089 0.000 3.134 807 T HA 0.151 4.494 4.350 -0.011 0.000 0.260 807 T C 1.265 176.055 174.700 0.150 0.000 1.027 807 T CA 0.676 62.831 62.100 0.092 0.000 0.913 807 T CB -0.159 68.763 68.868 0.091 0.000 1.046 807 T HN 0.487 nan 8.240 nan 0.000 0.553 808 S N 0.378 116.187 115.700 0.182 0.000 2.562 808 S HA 0.227 4.691 4.470 -0.011 0.000 0.221 808 S C 2.235 176.964 174.600 0.215 0.000 0.975 808 S CA 0.308 58.691 58.200 0.305 0.000 0.918 808 S CB -0.717 62.639 63.200 0.260 0.000 0.772 808 S HN 0.525 nan 8.310 nan 0.000 0.531 809 G N 2.594 111.443 108.800 0.082 0.000 2.475 809 G HA2 -0.288 3.665 3.960 -0.011 0.000 0.220 809 G HA3 -0.288 3.665 3.960 -0.011 0.000 0.220 809 G C 1.328 176.184 174.900 -0.074 0.000 1.125 809 G CA 1.028 46.144 45.100 0.028 0.000 0.755 809 G HN 0.607 nan 8.290 nan 0.000 0.565 810 K N -0.159 120.075 120.400 -0.278 0.000 2.280 810 K HA -0.021 4.292 4.320 -0.011 0.000 0.202 810 K C 1.163 177.464 176.600 -0.499 0.000 1.047 810 K CA 0.710 56.695 56.287 -0.504 0.000 0.942 810 K CB -0.246 31.752 32.500 -0.837 0.000 0.739 810 K HN 0.428 nan 8.250 nan 0.000 0.457 811 F N 0.763 120.746 119.950 0.055 0.000 2.645 811 F HA 0.148 4.668 4.527 -0.012 0.000 0.300 811 F C 0.745 176.594 175.800 0.083 0.000 1.115 811 F CA -0.671 57.369 58.000 0.066 0.000 1.355 811 F CB 0.549 39.584 39.000 0.059 0.000 1.026 811 F HN -0.129 nan 8.300 nan 0.000 0.536 812 S N 0.414 116.208 115.700 0.157 0.000 2.528 812 S HA 0.056 4.519 4.470 -0.011 0.000 0.277 812 S C 1.437 176.124 174.600 0.145 0.000 1.297 812 S CA -0.201 58.083 58.200 0.140 0.000 1.052 812 S CB 0.778 64.028 63.200 0.085 0.000 0.917 812 S HN 0.360 nan 8.310 nan 0.000 0.492 813 S N 3.325 119.135 115.700 0.184 0.000 2.507 813 S HA -0.076 4.387 4.470 -0.011 0.000 0.235 813 S C 0.925 175.583 174.600 0.096 0.000 0.988 813 S CA 0.668 58.996 58.200 0.213 0.000 0.944 813 S CB -0.317 63.089 63.200 0.344 0.000 0.762 813 S HN 0.786 nan 8.310 nan 0.000 0.526 814 D N 1.931 122.371 120.400 0.067 0.000 2.117 814 D HA -0.076 4.558 4.640 -0.011 0.000 0.198 814 D C 2.106 178.412 176.300 0.011 0.000 0.982 814 D CA 0.764 54.781 54.000 0.027 0.000 0.828 814 D CB -0.326 40.487 40.800 0.022 0.000 0.967 814 D HN 0.290 nan 8.370 nan 0.000 0.464 815 R N 0.828 121.338 120.500 0.017 0.000 2.073 815 R HA -0.088 4.245 4.340 -0.011 0.000 0.234 815 R C 1.903 178.201 176.300 -0.003 0.000 1.134 815 R CA 1.427 57.525 56.100 -0.005 0.000 0.952 815 R CB -0.799 29.486 30.300 -0.024 0.000 0.850 815 R HN 0.125 nan 8.270 nan 0.000 0.433 816 T N 2.221 116.798 114.554 0.038 0.000 2.684 816 T HA -0.133 4.210 4.350 -0.011 0.000 0.267 816 T C 1.936 176.646 174.700 0.017 0.000 1.036 816 T CA 1.422 63.566 62.100 0.072 0.000 1.148 816 T CB -0.131 68.864 68.868 0.212 0.000 0.863 816 T HN 0.107 nan 8.240 nan 0.000 0.436 817 I N 1.653 122.151 120.570 -0.119 0.000 2.252 817 I HA -0.080 4.084 4.170 -0.011 0.000 0.245 817 I C 2.945 179.023 176.117 -0.066 0.000 1.102 817 I CA 0.968 62.158 61.300 -0.184 0.000 1.385 817 I CB -1.644 36.243 38.000 -0.189 0.000 1.064 817 I HN 0.199 nan 8.210 nan 0.000 0.414 818 A N 0.245 123.044 122.820 -0.035 0.000 1.940 818 A HA -0.250 4.063 4.320 -0.011 0.000 0.219 818 A C 2.256 179.802 177.584 -0.062 0.000 1.176 818 A CA 1.564 53.588 52.037 -0.023 0.000 0.631 818 A CB -0.582 18.410 19.000 -0.014 0.000 0.814 818 A HN 0.520 nan 8.150 nan 0.000 0.446 819 Q N -1.849 117.896 119.800 -0.093 0.000 2.046 819 Q HA -0.168 4.166 4.340 -0.011 0.000 0.200 819 Q C 1.963 177.796 176.000 -0.279 0.000 0.975 819 Q CA 1.658 57.365 55.803 -0.159 0.000 0.836 819 Q CB -0.340 28.297 28.738 -0.168 0.000 0.896 819 Q HN 0.807 nan 8.270 nan 0.000 0.428 820 Y N 0.683 120.703 120.300 -0.467 0.000 2.114 820 Y HA -0.329 4.214 4.550 -0.012 0.000 0.282 820 Y C 2.497 177.848 175.900 -0.915 0.000 1.165 820 Y CA 1.419 58.985 58.100 -0.890 0.000 1.148 820 Y CB -0.501 37.118 38.460 -1.402 0.000 0.972 820 Y HN 0.175 nan 8.280 nan 0.000 0.504 821 A N 0.131 122.746 122.820 -0.340 0.000 1.883 821 A HA -0.225 4.088 4.320 -0.011 0.000 0.217 821 A C 2.241 179.849 177.584 0.039 0.000 1.186 821 A CA 2.058 54.136 52.037 0.069 0.000 0.624 821 A CB -0.568 18.543 19.000 0.185 0.000 0.822 821 A HN 0.440 nan 8.150 nan 0.000 0.444 822 R N -0.706 119.774 120.500 -0.033 0.000 2.075 822 R HA -0.028 4.305 4.340 -0.011 0.000 0.226 822 R C 1.805 178.084 176.300 -0.035 0.000 1.114 822 R CA 1.492 57.582 56.100 -0.017 0.000 0.972 822 R CB -0.168 30.117 30.300 -0.026 0.000 0.869 822 R HN 0.660 nan 8.270 nan 0.000 0.437 823 E N -0.571 119.568 120.200 -0.102 0.000 2.415 823 E HA 0.098 4.441 4.350 -0.011 0.000 0.197 823 E C 1.381 177.929 176.600 -0.087 0.000 1.007 823 E CA 0.390 56.732 56.400 -0.096 0.000 0.890 823 E CB 0.568 30.186 29.700 -0.137 0.000 0.891 823 E HN 0.300 nan 8.360 nan 0.000 0.496 824 I N -1.054 119.430 120.570 -0.144 0.000 3.650 824 I HA 0.025 4.188 4.170 -0.011 0.000 0.261 824 I C 1.345 177.593 176.117 0.217 0.000 1.154 824 I CA -0.073 61.194 61.300 -0.055 0.000 1.418 824 I CB 0.190 38.006 38.000 -0.306 0.000 1.539 824 I HN 0.109 nan 8.210 nan 0.000 0.449 825 W N 1.583 122.976 121.300 0.156 0.000 2.658 825 W HA 0.299 4.953 4.660 -0.011 0.000 0.263 825 W C 1.493 178.050 176.519 0.063 0.000 1.274 825 W CA 0.857 58.275 57.345 0.123 0.000 1.343 825 W CB -1.146 28.375 29.460 0.101 0.000 1.106 825 W HN 0.341 nan 8.180 nan 0.000 0.615 826 G N 1.165 110.103 108.800 0.230 0.000 2.256 826 G HA2 -0.120 3.833 3.960 -0.011 0.000 0.272 826 G HA3 -0.120 3.833 3.960 -0.011 0.000 0.272 826 G C -0.275 174.696 174.900 0.120 0.000 1.076 826 G CA 0.268 45.445 45.100 0.129 0.000 0.882 826 G HN 0.368 nan 8.290 nan 0.000 0.497 827 V N -3.688 116.317 119.914 0.152 0.000 2.914 827 V HA 0.932 5.045 4.120 -0.011 0.000 0.314 827 V C -0.264 175.889 176.094 0.098 0.000 1.084 827 V CA -1.670 60.700 62.300 0.117 0.000 0.963 827 V CB 2.285 34.184 31.823 0.127 0.000 1.025 827 V HN 0.288 nan 8.190 nan 0.000 0.432 828 E N 4.121 124.363 120.200 0.070 0.000 2.134 828 E HA 0.628 4.971 4.350 -0.011 0.000 0.278 828 E C -2.424 174.213 176.600 0.062 0.000 0.959 828 E CA -2.045 54.389 56.400 0.057 0.000 0.783 828 E CB 1.321 31.047 29.700 0.043 0.000 1.095 828 E HN 0.797 nan 8.360 nan 0.000 0.399 829 P HA 0.154 nan 4.420 nan 0.000 0.272 829 P C -0.910 176.422 177.300 0.052 0.000 1.230 829 P CA -0.504 62.632 63.100 0.060 0.000 0.788 829 P CB 1.129 32.860 31.700 0.052 0.000 0.949 830 S N 0.620 116.353 115.700 0.055 0.000 2.677 830 S HA 0.289 4.752 4.470 -0.011 0.000 0.283 830 S C 0.348 174.976 174.600 0.045 0.000 1.159 830 S CA -0.721 57.510 58.200 0.051 0.000 1.001 830 S CB 0.709 63.948 63.200 0.065 0.000 1.032 830 S HN 0.263 nan 8.310 nan 0.000 0.487 831 R N 2.758 123.280 120.500 0.036 0.000 2.391 831 R HA 0.179 4.512 4.340 -0.011 0.000 0.249 831 R C -0.175 176.138 176.300 0.021 0.000 0.957 831 R CA 0.072 56.191 56.100 0.032 0.000 1.093 831 R CB 0.065 30.384 30.300 0.031 0.000 1.156 831 R HN 0.677 nan 8.270 nan 0.000 0.526 832 Q N 0.813 120.626 119.800 0.021 0.000 2.267 832 Q HA 0.189 4.522 4.340 -0.011 0.000 0.255 832 Q C -0.290 175.702 176.000 -0.013 0.000 0.923 832 Q CA -0.301 55.507 55.803 0.007 0.000 0.925 832 Q CB 1.319 30.066 28.738 0.015 0.000 1.195 832 Q HN -0.174 nan 8.270 nan 0.000 0.417 833 R N 1.492 121.975 120.500 -0.028 0.000 2.679 833 R HA 0.143 4.476 4.340 -0.011 0.000 0.268 833 R C -0.469 175.782 176.300 -0.081 0.000 1.044 833 R CA 0.250 56.319 56.100 -0.052 0.000 1.105 833 R CB 0.325 30.595 30.300 -0.050 0.000 0.989 833 R HN 0.505 nan 8.270 nan 0.000 0.447 834 L N 5.266 126.421 121.223 -0.113 0.000 2.357 834 L HA 0.427 4.760 4.340 -0.011 0.000 0.273 834 L C -1.743 175.064 176.870 -0.105 0.000 1.080 834 L CA -2.189 52.554 54.840 -0.161 0.000 0.803 834 L CB 1.323 43.247 42.059 -0.226 0.000 1.174 834 L HN 0.494 nan 8.230 nan 0.000 0.443 835 P HA 0.062 nan 4.420 nan 0.000 0.268 835 P C -0.531 176.740 177.300 -0.049 0.000 1.204 835 P CA -0.233 62.832 63.100 -0.057 0.000 0.768 835 P CB 0.797 32.471 31.700 -0.044 0.000 0.842 836 A N 0.000 122.800 122.820 -0.034 0.000 2.254 836 A HA 0.000 4.313 4.320 -0.011 0.000 0.244 836 A CA 0.000 52.025 52.037 -0.020 0.000 0.836 836 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486