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 2gm9_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPNX XXXXXXXXGG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSXXXXXXXX XXXNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR 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 0.000 175.987 176.000 -0.021 0.000 1.003 12 Q CA 0.000 55.780 55.803 -0.039 0.000 1.022 12 Q CB 0.000 28.704 28.738 -0.056 0.000 1.108 13 I N 1.874 122.434 120.570 -0.016 0.000 2.304 13 I HA 0.138 4.308 4.170 -0.001 0.000 0.291 13 I C 1.487 177.606 176.117 0.004 0.000 1.018 13 I CA 0.199 61.498 61.300 -0.001 0.000 1.260 13 I CB 1.422 39.423 38.000 0.003 0.000 1.390 13 I HN 0.677 nan 8.210 nan 0.000 0.475 14 S N 4.782 120.489 115.700 0.012 0.000 2.406 14 S HA -0.127 4.343 4.470 -0.001 0.000 0.228 14 S C 1.801 176.414 174.600 0.021 0.000 1.020 14 S CA 0.799 59.007 58.200 0.013 0.000 0.965 14 S CB -0.188 63.023 63.200 0.017 0.000 0.798 14 S HN 0.553 nan 8.310 nan 0.000 0.488 15 V N 2.910 122.845 119.914 0.036 0.000 2.688 15 V HA -0.100 4.019 4.120 -0.001 0.000 0.256 15 V C 2.138 178.254 176.094 0.037 0.000 1.084 15 V CA 1.596 63.923 62.300 0.045 0.000 1.103 15 V CB -0.723 31.137 31.823 0.062 0.000 0.688 15 V HN 0.557 nan 8.190 nan 0.000 0.480 16 R N 0.199 120.711 120.500 0.021 0.000 2.320 16 R HA 0.338 4.678 4.340 -0.001 0.000 0.211 16 R C 1.061 177.358 176.300 -0.005 0.000 0.931 16 R CA 0.638 56.743 56.100 0.009 0.000 1.071 16 R CB -0.313 29.987 30.300 0.001 0.000 1.025 16 R HN 0.591 nan 8.270 nan 0.000 0.495 17 G N 1.498 110.294 108.800 -0.005 0.000 2.681 17 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.220 17 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.220 17 G C -0.538 174.350 174.900 -0.020 0.000 1.353 17 G CA -0.837 44.252 45.100 -0.018 0.000 0.872 17 G HN 0.127 nan 8.290 nan 0.000 0.557 18 L N 0.287 121.495 121.223 -0.025 0.000 2.307 18 L HA 0.644 4.983 4.340 -0.001 0.000 0.282 18 L C 1.013 177.870 176.870 -0.022 0.000 1.051 18 L CA -0.298 54.529 54.840 -0.021 0.000 0.804 18 L CB 1.825 43.873 42.059 -0.019 0.000 1.197 18 L HN 1.105 nan 8.230 nan 0.000 0.431 19 A N 2.598 125.407 122.820 -0.018 0.000 3.095 19 A HA 0.485 4.805 4.320 -0.001 0.000 0.301 19 A C 0.717 178.297 177.584 -0.007 0.000 1.432 19 A CA -0.412 51.617 52.037 -0.014 0.000 1.140 19 A CB -0.526 18.465 19.000 -0.017 0.000 1.174 19 A HN 0.821 nan 8.150 nan 0.000 0.546 20 G N 0.004 108.801 108.800 -0.006 0.000 2.265 20 G HA2 0.238 4.198 3.960 -0.001 0.000 0.240 20 G HA3 0.238 4.198 3.960 -0.001 0.000 0.240 20 G C 1.078 175.982 174.900 0.008 0.000 1.270 20 G CA 0.308 45.408 45.100 0.001 0.000 0.901 20 G HN 0.758 nan 8.290 nan 0.000 0.507 21 V N 2.240 122.159 119.914 0.008 0.000 2.287 21 V HA -0.161 3.959 4.120 -0.001 0.000 0.248 21 V C 2.499 178.603 176.094 0.017 0.000 1.053 21 V CA 2.757 65.064 62.300 0.011 0.000 1.027 21 V CB -0.373 31.455 31.823 0.009 0.000 0.646 21 V HN 0.911 nan 8.190 nan 0.000 0.447 22 E N -0.334 119.877 120.200 0.018 0.000 2.107 22 E HA -0.204 4.146 4.350 -0.001 0.000 0.191 22 E C 2.078 178.699 176.600 0.036 0.000 0.982 22 E CA 1.195 57.609 56.400 0.025 0.000 0.809 22 E CB -0.212 29.502 29.700 0.023 0.000 0.756 22 E HN 0.596 nan 8.360 nan 0.000 0.459 23 N N 0.583 119.304 118.700 0.035 0.000 2.084 23 N HA -0.149 4.590 4.740 -0.001 0.000 0.190 23 N C 1.743 177.284 175.510 0.050 0.000 1.030 23 N CA 1.051 54.130 53.050 0.049 0.000 0.849 23 N CB -0.205 38.298 38.487 0.027 0.000 1.012 23 N HN -0.043 nan 8.380 nan 0.000 0.423 24 V N 0.163 120.096 119.914 0.032 0.000 2.287 24 V HA -0.237 3.883 4.120 -0.001 0.000 0.248 24 V C 2.267 178.383 176.094 0.036 0.000 1.053 24 V CA 2.121 64.439 62.300 0.029 0.000 1.027 24 V CB -1.102 30.733 31.823 0.020 0.000 0.646 24 V HN 0.400 nan 8.190 nan 0.000 0.447 25 T N -0.795 113.779 114.554 0.033 0.000 2.665 25 T HA -0.268 4.082 4.350 -0.001 0.000 0.268 25 T C 1.905 176.634 174.700 0.048 0.000 1.035 25 T CA 2.014 64.133 62.100 0.033 0.000 1.151 25 T CB -0.206 68.678 68.868 0.026 0.000 0.862 25 T HN 0.610 nan 8.240 nan 0.000 0.438 26 E N 0.026 120.263 120.200 0.061 0.000 2.047 26 E HA -0.108 4.242 4.350 -0.001 0.000 0.191 26 E C 2.126 178.793 176.600 0.111 0.000 0.987 26 E CA 0.673 57.119 56.400 0.077 0.000 0.799 26 E CB -0.054 29.696 29.700 0.084 0.000 0.752 26 E HN 0.176 nan 8.360 nan 0.000 0.449 27 L N 1.595 122.898 121.223 0.133 0.000 1.997 27 L HA -0.260 4.080 4.340 -0.001 0.000 0.216 27 L C 2.245 179.216 176.870 0.169 0.000 1.074 27 L CA 1.898 56.839 54.840 0.168 0.000 0.763 27 L CB -0.858 41.273 42.059 0.120 0.000 0.890 27 L HN 0.070 nan 8.230 nan 0.000 0.434 28 K N -0.839 119.620 120.400 0.099 0.000 2.057 28 K HA -0.209 4.111 4.320 -0.001 0.000 0.207 28 K C 2.159 178.849 176.600 0.151 0.000 1.049 28 K CA 1.260 57.597 56.287 0.084 0.000 0.931 28 K CB -0.196 32.311 32.500 0.012 0.000 0.714 28 K HN 0.202 nan 8.250 nan 0.000 0.440 29 K N 0.942 121.409 120.400 0.111 0.000 2.057 29 K HA -0.151 4.169 4.320 -0.001 0.000 0.207 29 K C 1.585 178.255 176.600 0.116 0.000 1.049 29 K CA 1.370 57.714 56.287 0.095 0.000 0.931 29 K CB 0.027 32.564 32.500 0.061 0.000 0.714 29 K HN 0.135 nan 8.250 nan 0.000 0.440 30 N N 0.080 118.860 118.700 0.133 0.000 2.333 30 N HA -0.105 4.635 4.740 -0.001 0.000 0.178 30 N C 1.636 177.249 175.510 0.172 0.000 1.018 30 N CA 0.545 53.651 53.050 0.092 0.000 0.882 30 N CB -0.240 38.300 38.487 0.089 0.000 0.984 30 N HN 0.139 nan 8.380 nan 0.000 0.434 31 F N 2.877 122.903 119.950 0.126 0.000 2.065 31 F HA -0.166 4.361 4.527 -0.001 0.000 0.298 31 F C 1.989 177.878 175.800 0.147 0.000 1.112 31 F CA 1.494 59.591 58.000 0.161 0.000 1.212 31 F CB -0.284 38.785 39.000 0.114 0.000 0.975 31 F HN -0.017 nan 8.300 nan 0.000 0.476 32 N N 0.321 119.236 118.700 0.358 0.000 2.244 32 N HA -0.178 4.562 4.740 -0.001 0.000 0.183 32 N C 2.036 177.602 175.510 0.094 0.000 1.016 32 N CA 1.109 54.288 53.050 0.216 0.000 0.866 32 N CB -0.500 38.097 38.487 0.182 0.000 0.980 32 N HN 0.407 nan 8.380 nan 0.000 0.430 33 R N 0.270 120.823 120.500 0.089 0.000 2.062 33 R HA -0.099 4.240 4.340 -0.001 0.000 0.231 33 R C 1.938 178.310 176.300 0.120 0.000 1.136 33 R CA 1.218 57.390 56.100 0.120 0.000 0.948 33 R CB -0.190 30.133 30.300 0.038 0.000 0.845 33 R HN 0.285 nan 8.270 nan 0.000 0.430 34 H N 0.465 119.576 119.070 0.067 0.000 2.352 34 H HA -0.154 4.402 4.556 -0.001 0.000 0.299 34 H C 2.102 177.362 175.328 -0.115 0.000 1.097 34 H CA 1.613 57.635 56.048 -0.043 0.000 1.311 34 H CB -0.311 29.384 29.762 -0.112 0.000 1.377 34 H HN 0.184 nan 8.280 nan 0.000 0.504 35 L N 0.354 121.559 121.223 -0.031 0.000 2.043 35 L HA -0.221 4.118 4.340 -0.001 0.000 0.212 35 L C 2.500 179.341 176.870 -0.049 0.000 1.075 35 L CA 1.960 56.753 54.840 -0.079 0.000 0.752 35 L CB -0.581 41.442 42.059 -0.060 0.000 0.891 35 L HN 0.242 nan 8.230 nan 0.000 0.432 36 H N -1.929 117.042 119.070 -0.166 0.000 2.294 36 H HA -0.083 4.473 4.556 -0.001 0.000 0.306 36 H C 1.780 176.908 175.328 -0.333 0.000 1.065 36 H CA 2.323 58.174 56.048 -0.328 0.000 1.343 36 H CB -0.207 29.223 29.762 -0.553 0.000 1.396 36 H HN 0.305 nan 8.280 nan 0.000 0.506 37 F N -0.801 119.145 119.950 -0.005 0.000 2.335 37 F HA 0.038 4.564 4.527 -0.001 0.000 0.296 37 F C 2.512 178.253 175.800 -0.099 0.000 1.091 37 F CA 1.235 59.195 58.000 -0.068 0.000 1.399 37 F CB -0.268 38.729 39.000 -0.004 0.000 1.067 37 F HN 0.158 nan 8.300 nan 0.000 0.520 38 T N -0.458 114.131 114.554 0.059 0.000 2.983 38 T HA 0.072 4.422 4.350 -0.001 0.000 0.250 38 T C 1.590 176.183 174.700 -0.179 0.000 1.037 38 T CA 0.675 62.717 62.100 -0.097 0.000 1.142 38 T CB 0.007 68.728 68.868 -0.246 0.000 0.876 38 T HN -0.070 nan 8.240 nan 0.000 0.455 39 L N 0.886 122.011 121.223 -0.163 0.000 2.554 39 L HA 0.321 4.661 4.340 -0.001 0.000 0.225 39 L C 0.764 177.543 176.870 -0.152 0.000 1.104 39 L CA 0.190 54.929 54.840 -0.168 0.000 0.866 39 L CB -0.647 41.322 42.059 -0.151 0.000 1.047 39 L HN 0.034 nan 8.230 nan 0.000 0.468 40 V N -0.048 119.762 119.914 -0.173 0.000 5.820 40 V HA -0.279 3.841 4.120 -0.001 0.000 0.300 40 V C 0.414 176.408 176.094 -0.167 0.000 0.585 40 V CA 0.785 62.959 62.300 -0.210 0.000 0.629 40 V CB -2.181 29.542 31.823 -0.167 0.000 0.291 40 V HN 0.371 nan 8.190 nan 0.000 0.887 41 K N 0.493 120.808 120.400 -0.142 0.000 2.385 41 K HA 0.615 4.934 4.320 -0.001 0.000 0.248 41 K C -0.252 176.330 176.600 -0.031 0.000 0.955 41 K CA -0.776 55.458 56.287 -0.088 0.000 0.816 41 K CB 2.505 34.951 32.500 -0.090 0.000 1.250 41 K HN 0.325 nan 8.250 nan 0.000 0.434 42 D N 0.659 121.057 120.400 -0.004 0.000 2.387 42 D HA 0.224 4.864 4.640 -0.001 0.000 0.255 42 D C 0.757 177.098 176.300 0.067 0.000 1.081 42 D CA -0.414 53.612 54.000 0.043 0.000 0.994 42 D CB 1.227 42.045 40.800 0.030 0.000 1.127 42 D HN 0.150 nan 8.370 nan 0.000 0.513 43 R N 1.031 121.596 120.500 0.109 0.000 2.328 43 R HA -0.068 4.272 4.340 -0.001 0.000 0.207 43 R C 1.252 177.630 176.300 0.130 0.000 1.056 43 R CA 0.267 56.474 56.100 0.178 0.000 1.016 43 R CB -0.494 29.911 30.300 0.176 0.000 0.872 43 R HN 0.455 nan 8.270 nan 0.000 0.471 44 N N 0.643 119.385 118.700 0.070 0.000 2.402 44 N HA -0.082 4.658 4.740 -0.001 0.000 0.174 44 N C 1.382 176.908 175.510 0.026 0.000 1.027 44 N CA 1.039 54.118 53.050 0.048 0.000 0.891 44 N CB 0.546 39.051 38.487 0.031 0.000 1.016 44 N HN 0.086 nan 8.380 nan 0.000 0.439 45 V N -1.336 118.581 119.914 0.003 0.000 3.608 45 V HA 0.482 4.602 4.120 -0.001 0.000 0.269 45 V C 1.072 177.129 176.094 -0.062 0.000 1.245 45 V CA -0.156 62.130 62.300 -0.022 0.000 1.138 45 V CB -0.829 30.977 31.823 -0.029 0.000 0.841 45 V HN 0.261 nan 8.190 nan 0.000 0.451 46 A N 2.116 124.880 122.820 -0.095 0.000 2.440 46 A HA 0.559 4.879 4.320 -0.001 0.000 0.251 46 A C 0.754 178.123 177.584 -0.359 0.000 1.089 46 A CA 0.612 52.474 52.037 -0.291 0.000 0.779 46 A CB -0.133 18.591 19.000 -0.459 0.000 1.022 46 A HN 0.705 nan 8.150 nan 0.000 0.492 47 T N 0.416 114.756 114.554 -0.356 0.000 2.944 47 T HA 0.548 4.897 4.350 -0.001 0.000 0.284 47 T C -2.162 172.403 174.700 -0.225 0.000 1.010 47 T CA -1.805 60.176 62.100 -0.198 0.000 1.025 47 T CB 1.176 69.994 68.868 -0.083 0.000 1.079 47 T HN 0.262 nan 8.240 nan 0.000 0.516 48 P HA -0.084 nan 4.420 nan 0.000 0.218 48 P C 1.542 178.940 177.300 0.163 0.000 1.146 48 P CA 0.835 64.050 63.100 0.192 0.000 0.813 48 P CB 0.085 31.880 31.700 0.158 0.000 0.778 49 R N 0.032 120.579 120.500 0.079 0.000 2.075 49 R HA -0.119 4.221 4.340 -0.001 0.000 0.232 49 R C 1.659 178.127 176.300 0.280 0.000 1.126 49 R CA 1.656 57.850 56.100 0.157 0.000 0.963 49 R CB -0.641 29.690 30.300 0.052 0.000 0.858 49 R HN 0.064 nan 8.270 nan 0.000 0.435 50 D N -0.213 120.233 120.400 0.076 0.000 2.123 50 D HA -0.204 4.435 4.640 -0.001 0.000 0.196 50 D C 1.735 178.072 176.300 0.062 0.000 0.992 50 D CA 1.336 55.342 54.000 0.010 0.000 0.833 50 D CB -0.299 40.367 40.800 -0.223 0.000 0.954 50 D HN 0.308 nan 8.370 nan 0.000 0.455 51 Y N -0.046 120.354 120.300 0.167 0.000 2.242 51 Y HA -0.186 4.364 4.550 -0.001 0.000 0.291 51 Y C 2.315 178.352 175.900 0.228 0.000 1.137 51 Y CA 0.169 58.413 58.100 0.240 0.000 1.181 51 Y CB -1.189 37.480 38.460 0.349 0.000 0.989 51 Y HN 0.098 nan 8.280 nan 0.000 0.527 52 Y N -0.603 119.845 120.300 0.248 0.000 2.181 52 Y HA -0.255 4.294 4.550 -0.001 0.000 0.288 52 Y C 1.864 177.748 175.900 -0.026 0.000 1.146 52 Y CA 1.293 59.435 58.100 0.071 0.000 1.164 52 Y CB -0.995 37.404 38.460 -0.102 0.000 0.982 52 Y HN 0.012 nan 8.280 nan 0.000 0.515 53 F N 0.110 119.858 119.950 -0.337 0.000 2.259 53 F HA -0.002 4.525 4.527 -0.001 0.000 0.298 53 F C 2.604 178.271 175.800 -0.221 0.000 1.088 53 F CA 1.158 58.901 58.000 -0.429 0.000 1.358 53 F CB -0.950 37.979 39.000 -0.118 0.000 1.040 53 F HN 0.178 nan 8.300 nan 0.000 0.505 54 A N 0.024 122.807 122.820 -0.062 0.000 1.902 54 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 54 A C 2.290 179.784 177.584 -0.150 0.000 1.181 54 A CA 1.255 53.139 52.037 -0.254 0.000 0.623 54 A CB -0.989 17.530 19.000 -0.801 0.000 0.818 54 A HN 0.386 nan 8.150 nan 0.000 0.443 55 L N -0.724 120.497 121.223 -0.003 0.000 1.994 55 L HA -0.210 4.130 4.340 -0.001 0.000 0.208 55 L C 3.017 179.879 176.870 -0.014 0.000 1.071 55 L CA 1.652 56.609 54.840 0.196 0.000 0.745 55 L CB -0.672 41.556 42.059 0.280 0.000 0.892 55 L HN 0.458 nan 8.230 nan 0.000 0.431 56 A N -0.698 121.924 122.820 -0.331 0.000 1.892 56 A HA -0.305 4.014 4.320 -0.001 0.000 0.218 56 A C 1.851 179.059 177.584 -0.625 0.000 1.188 56 A CA 2.086 53.785 52.037 -0.564 0.000 0.631 56 A CB -1.007 17.332 19.000 -1.102 0.000 0.822 56 A HN 0.600 nan 8.150 nan 0.000 0.447 57 H N -0.777 117.996 119.070 -0.494 0.000 2.353 57 H HA -0.066 4.490 4.556 -0.001 0.000 0.300 57 H C 2.386 177.559 175.328 -0.259 0.000 1.090 57 H CA 2.023 57.714 56.048 -0.595 0.000 1.327 57 H CB -0.433 28.610 29.762 -1.199 0.000 1.383 57 H HN 0.453 nan 8.280 nan 0.000 0.508 58 T N -0.158 114.469 114.554 0.121 0.000 2.720 58 T HA -0.142 4.207 4.350 -0.001 0.000 0.268 58 T C 2.250 177.142 174.700 0.321 0.000 1.037 58 T CA 1.442 63.754 62.100 0.352 0.000 1.144 58 T CB -0.395 68.701 68.868 0.379 0.000 0.864 58 T HN 0.093 nan 8.240 nan 0.000 0.444 59 V N 1.233 121.295 119.914 0.247 0.000 2.379 59 V HA -0.068 4.052 4.120 -0.001 0.000 0.245 59 V C 2.590 178.877 176.094 0.320 0.000 1.044 59 V CA 1.449 63.930 62.300 0.302 0.000 1.036 59 V CB -0.591 31.402 31.823 0.283 0.000 0.664 59 V HN 0.350 nan 8.190 nan 0.000 0.453 60 R N 0.376 120.998 120.500 0.203 0.000 2.117 60 R HA -0.234 4.106 4.340 -0.001 0.000 0.243 60 R C 1.949 178.356 176.300 0.178 0.000 1.143 60 R CA 2.197 58.409 56.100 0.187 0.000 0.968 60 R CB -0.435 29.782 30.300 -0.137 0.000 0.863 60 R HN 0.495 nan 8.270 nan 0.000 0.444 61 D N -0.209 120.287 120.400 0.160 0.000 2.182 61 D HA -0.165 4.475 4.640 -0.001 0.000 0.201 61 D C 1.583 177.915 176.300 0.052 0.000 0.986 61 D CA 1.408 55.474 54.000 0.110 0.000 0.847 61 D CB -0.430 40.424 40.800 0.089 0.000 0.942 61 D HN 0.516 nan 8.370 nan 0.000 0.467 62 H N -0.408 118.731 119.070 0.115 0.000 2.545 62 H HA 0.075 4.631 4.556 -0.001 0.000 0.282 62 H C 1.961 177.335 175.328 0.076 0.000 1.020 62 H CA 0.369 56.469 56.048 0.086 0.000 1.243 62 H CB -0.014 29.791 29.762 0.072 0.000 1.377 62 H HN 0.120 nan 8.280 nan 0.000 0.581 63 L N -0.940 120.397 121.223 0.190 0.000 2.270 63 L HA -0.071 4.268 4.340 -0.001 0.000 0.210 63 L C 1.987 178.965 176.870 0.180 0.000 1.104 63 L CA 0.157 55.074 54.840 0.128 0.000 0.804 63 L CB 0.031 42.127 42.059 0.062 0.000 0.937 63 L HN 0.163 nan 8.230 nan 0.000 0.450 64 V N 0.218 120.251 119.914 0.198 0.000 2.261 64 V HA -0.212 3.908 4.120 -0.001 0.000 0.246 64 V C 2.639 178.846 176.094 0.189 0.000 1.047 64 V CA 2.127 64.574 62.300 0.245 0.000 1.015 64 V CB -1.262 30.665 31.823 0.173 0.000 0.642 64 V HN 0.548 nan 8.190 nan 0.000 0.446 65 G N -0.224 108.645 108.800 0.114 0.000 2.476 65 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.218 65 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.218 65 G C 1.731 176.684 174.900 0.087 0.000 1.164 65 G CA 1.043 46.188 45.100 0.076 0.000 0.768 65 G HN 0.412 nan 8.290 nan 0.000 0.560 66 R N -1.388 119.172 120.500 0.101 0.000 2.115 66 R HA -0.011 4.328 4.340 -0.001 0.000 0.230 66 R C 2.101 178.494 176.300 0.155 0.000 1.111 66 R CA 0.993 57.143 56.100 0.084 0.000 0.976 66 R CB -0.395 29.935 30.300 0.051 0.000 0.870 66 R HN 0.535 nan 8.270 nan 0.000 0.445 67 W N 0.864 122.159 121.300 -0.008 0.000 2.407 67 W HA 0.008 4.667 4.660 -0.001 0.000 0.305 67 W C 1.549 178.063 176.519 -0.008 0.000 1.196 67 W CA 0.808 58.150 57.345 -0.005 0.000 1.311 67 W CB -0.531 28.942 29.460 0.021 0.000 1.135 67 W HN -0.028 nan 8.180 nan 0.000 0.514 68 I N 0.146 120.783 120.570 0.111 0.000 2.179 68 I HA -0.321 3.849 4.170 -0.001 0.000 0.242 68 I C 2.637 178.759 176.117 0.008 0.000 1.088 68 I CA 1.488 62.781 61.300 -0.011 0.000 1.357 68 I CB -0.583 37.413 38.000 -0.008 0.000 1.051 68 I HN -0.127 nan 8.210 nan 0.000 0.409 69 R N -0.021 120.495 120.500 0.026 0.000 2.075 69 R HA -0.119 4.221 4.340 -0.001 0.000 0.232 69 R C 2.374 178.654 176.300 -0.033 0.000 1.126 69 R CA 1.932 58.033 56.100 0.002 0.000 0.963 69 R CB -0.457 29.838 30.300 -0.008 0.000 0.858 69 R HN 0.329 nan 8.270 nan 0.000 0.435 70 T N 0.959 115.475 114.554 -0.062 0.000 2.674 70 T HA -0.151 4.198 4.350 -0.001 0.000 0.265 70 T C 1.787 176.264 174.700 -0.371 0.000 1.039 70 T CA 1.083 63.046 62.100 -0.228 0.000 1.150 70 T CB -0.115 68.668 68.868 -0.141 0.000 0.864 70 T HN 0.199 nan 8.240 nan 0.000 0.427 71 Q N 0.707 120.437 119.800 -0.115 0.000 2.124 71 Q HA -0.107 4.233 4.340 -0.001 0.000 0.202 71 Q C 2.365 178.404 176.000 0.065 0.000 0.977 71 Q CA 1.391 57.206 55.803 0.020 0.000 0.850 71 Q CB -0.490 28.284 28.738 0.060 0.000 0.901 71 Q HN 0.504 nan 8.270 nan 0.000 0.429 72 Q N 0.060 119.887 119.800 0.045 0.000 2.079 72 Q HA -0.187 4.152 4.340 -0.001 0.000 0.200 72 Q C 1.923 177.998 176.000 0.125 0.000 0.974 72 Q CA 1.894 57.766 55.803 0.116 0.000 0.840 72 Q CB -0.358 28.431 28.738 0.086 0.000 0.898 72 Q HN 0.565 nan 8.270 nan 0.000 0.430 73 H N -1.127 117.907 119.070 -0.060 0.000 2.387 73 H HA -0.187 4.369 4.556 -0.001 0.000 0.299 73 H C 1.049 176.393 175.328 0.027 0.000 1.099 73 H CA 2.152 58.157 56.048 -0.072 0.000 1.315 73 H CB -0.169 29.497 29.762 -0.160 0.000 1.380 73 H HN 0.365 nan 8.280 nan 0.000 0.513 74 Y N -1.073 119.248 120.300 0.036 0.000 2.200 74 Y HA -0.172 4.377 4.550 -0.001 0.000 0.290 74 Y C 2.402 178.335 175.900 0.054 0.000 1.137 74 Y CA 1.042 59.144 58.100 0.004 0.000 1.163 74 Y CB -1.370 37.165 38.460 0.126 0.000 0.988 74 Y HN 0.323 nan 8.280 nan 0.000 0.518 75 Y N 2.022 122.393 120.300 0.119 0.000 2.151 75 Y HA -0.277 4.273 4.550 -0.001 0.000 0.284 75 Y C 2.158 178.059 175.900 0.002 0.000 1.166 75 Y CA 2.120 60.251 58.100 0.052 0.000 1.163 75 Y CB -0.432 38.046 38.460 0.031 0.000 0.974 75 Y HN 0.443 nan 8.280 nan 0.000 0.511 76 E N -0.402 119.676 120.200 -0.203 0.000 2.190 76 E HA -0.096 4.254 4.350 -0.001 0.000 0.191 76 E C 2.098 178.571 176.600 -0.211 0.000 0.978 76 E CA 0.868 57.085 56.400 -0.305 0.000 0.839 76 E CB -0.443 29.135 29.700 -0.204 0.000 0.787 76 E HN 0.440 nan 8.360 nan 0.000 0.473 77 K N 1.593 121.866 120.400 -0.212 0.000 2.296 77 K HA -0.143 4.177 4.320 -0.001 0.000 0.200 77 K C -0.020 176.524 176.600 -0.093 0.000 1.048 77 K CA 0.994 57.174 56.287 -0.178 0.000 0.966 77 K CB -0.075 32.241 32.500 -0.308 0.000 0.754 77 K HN -0.070 nan 8.250 nan 0.000 0.466 78 D N 1.267 121.631 120.400 -0.059 0.000 2.697 78 D HA -0.112 4.528 4.640 -0.001 0.000 0.235 78 D C -2.358 173.938 176.300 -0.007 0.000 1.167 78 D CA 0.326 54.317 54.000 -0.015 0.000 0.656 78 D CB -0.052 40.720 40.800 -0.046 0.000 1.025 78 D HN 0.314 nan 8.370 nan 0.000 0.419 79 P HA 0.096 nan 4.420 nan 0.000 0.277 79 P C -0.155 177.128 177.300 -0.028 0.000 1.271 79 P CA -0.586 62.503 63.100 -0.018 0.000 0.795 79 P CB 0.644 32.325 31.700 -0.030 0.000 1.101 80 K N 1.075 121.457 120.400 -0.030 0.000 2.451 80 K HA 0.038 4.357 4.320 -0.001 0.000 0.280 80 K C 0.099 176.638 176.600 -0.103 0.000 1.020 80 K CA 0.087 56.350 56.287 -0.040 0.000 1.008 80 K CB 0.165 32.656 32.500 -0.015 0.000 0.917 80 K HN 0.296 nan 8.250 nan 0.000 0.478 81 R N 4.020 124.450 120.500 -0.115 0.000 2.297 81 R HA 0.298 4.637 4.340 -0.001 0.000 0.308 81 R C -0.401 175.680 176.300 -0.364 0.000 1.029 81 R CA -0.776 55.182 56.100 -0.237 0.000 0.929 81 R CB 0.800 30.952 30.300 -0.247 0.000 1.046 81 R HN 0.450 nan 8.270 nan 0.000 0.461 82 I N 4.126 124.410 120.570 -0.476 0.000 2.336 82 I HA 0.191 4.360 4.170 -0.001 0.000 0.292 82 I C -0.486 175.346 176.117 -0.476 0.000 0.991 82 I CA -0.887 60.073 61.300 -0.567 0.000 1.227 82 I CB 0.619 38.115 38.000 -0.839 0.000 1.366 82 I HN 0.518 nan 8.210 nan 0.000 0.466 83 Y N 5.967 126.224 120.300 -0.072 0.000 2.345 83 Y HA 0.275 4.825 4.550 -0.001 0.000 0.331 83 Y C -0.323 175.674 175.900 0.162 0.000 0.959 83 Y CA -0.671 57.500 58.100 0.118 0.000 1.204 83 Y CB 1.174 39.644 38.460 0.016 0.000 1.135 83 Y HN 0.396 nan 8.280 nan 0.000 0.477 84 Y N 4.714 125.210 120.300 0.326 0.000 2.594 84 Y HA 0.448 4.998 4.550 -0.001 0.000 0.342 84 Y C -1.140 175.049 175.900 0.482 0.000 1.010 84 Y CA -0.968 57.341 58.100 0.349 0.000 1.270 84 Y CB 0.139 38.800 38.460 0.335 0.000 1.125 84 Y HN 0.514 nan 8.280 nan 0.000 0.513 85 L N 4.532 125.787 121.223 0.054 0.000 2.281 85 L HA 0.438 4.777 4.340 -0.001 0.000 0.285 85 L C -0.105 176.771 176.870 0.010 0.000 1.074 85 L CA 0.252 55.184 54.840 0.153 0.000 0.817 85 L CB 1.204 43.327 42.059 0.107 0.000 1.168 85 L HN 0.541 nan 8.230 nan 0.000 0.434 86 S N 2.781 118.584 115.700 0.173 0.000 2.543 86 S HA 0.405 4.875 4.470 -0.001 0.000 0.271 86 S C 0.453 175.143 174.600 0.150 0.000 1.148 86 S CA -0.634 57.576 58.200 0.017 0.000 0.914 86 S CB 0.895 63.878 63.200 -0.362 0.000 1.096 86 S HN 0.479 nan 8.310 nan 0.000 0.471 87 L N 2.729 124.072 121.223 0.201 0.000 2.478 87 L HA 0.294 4.633 4.340 -0.001 0.000 0.223 87 L C 0.343 177.384 176.870 0.284 0.000 1.140 87 L CA 1.397 56.406 54.840 0.283 0.000 0.842 87 L CB -0.913 41.322 42.059 0.293 0.000 0.953 87 L HN 0.704 nan 8.230 nan 0.000 0.452 88 E N -1.113 119.134 120.200 0.077 0.000 2.292 88 E HA 0.390 4.740 4.350 -0.001 0.000 0.272 88 E C -1.497 174.905 176.600 -0.330 0.000 0.881 88 E CA -0.405 56.013 56.400 0.030 0.000 0.754 88 E CB 1.983 31.686 29.700 0.005 0.000 1.201 88 E HN -0.171 nan 8.360 nan 0.000 0.425 89 F N 2.116 122.173 119.950 0.179 0.000 2.577 89 F HA 0.206 4.732 4.527 -0.001 0.000 0.344 89 F C -0.789 175.101 175.800 0.149 0.000 1.145 89 F CA -0.776 57.319 58.000 0.159 0.000 0.996 89 F CB 0.933 40.015 39.000 0.138 0.000 1.248 89 F HN 0.479 nan 8.300 nan 0.000 0.447 90 Y N 5.322 125.693 120.300 0.119 0.000 2.714 90 Y HA 0.246 4.796 4.550 -0.001 0.000 0.333 90 Y C 0.828 176.748 175.900 0.035 0.000 1.220 90 Y CA -1.032 57.091 58.100 0.039 0.000 1.513 90 Y CB 0.352 38.821 38.460 0.014 0.000 1.435 90 Y HN 0.571 nan 8.280 nan 0.000 0.489 91 M N 1.331 121.047 119.600 0.193 0.000 2.287 91 M HA 0.144 4.623 4.480 -0.001 0.000 0.266 91 M C 1.470 177.736 176.300 -0.058 0.000 1.079 91 M CA 1.204 56.535 55.300 0.052 0.000 1.146 91 M CB -1.071 31.544 32.600 0.024 0.000 1.374 91 M HN 0.687 nan 8.290 nan 0.000 0.435 92 G N 0.987 109.753 108.800 -0.057 0.000 2.593 92 G HA2 -0.247 3.712 3.960 -0.001 0.000 0.237 92 G HA3 -0.247 3.712 3.960 -0.001 0.000 0.237 92 G C -0.423 174.420 174.900 -0.095 0.000 1.312 92 G CA -0.441 44.592 45.100 -0.113 0.000 0.896 92 G HN 0.421 nan 8.290 nan 0.000 0.574 93 R N -0.656 119.773 120.500 -0.118 0.000 2.615 93 R HA 0.582 4.922 4.340 -0.001 0.000 0.270 93 R C 1.599 177.761 176.300 -0.229 0.000 1.081 93 R CA 0.395 56.433 56.100 -0.103 0.000 1.154 93 R CB 0.848 31.096 30.300 -0.086 0.000 1.063 93 R HN 0.903 nan 8.270 nan 0.000 0.519 94 T N -0.545 113.789 114.554 -0.367 0.000 3.004 94 T HA 0.023 4.372 4.350 -0.001 0.000 0.266 94 T C 1.287 175.517 174.700 -0.782 0.000 0.986 94 T CA -0.224 61.457 62.100 -0.699 0.000 0.902 94 T CB 0.184 68.417 68.868 -1.058 0.000 1.118 94 T HN 0.320 nan 8.240 nan 0.000 0.522 95 L N 1.836 122.852 121.223 -0.345 0.000 1.976 95 L HA 0.100 4.440 4.340 -0.001 0.000 0.209 95 L C 2.575 179.403 176.870 -0.071 0.000 1.071 95 L CA 2.128 56.964 54.840 -0.005 0.000 0.746 95 L CB -1.033 41.281 42.059 0.425 0.000 0.890 95 L HN 0.328 nan 8.230 nan 0.000 0.432 96 Q N -0.682 119.080 119.800 -0.063 0.000 2.061 96 Q HA -0.289 4.050 4.340 -0.001 0.000 0.204 96 Q C 2.159 178.084 176.000 -0.126 0.000 0.984 96 Q CA 2.126 57.886 55.803 -0.072 0.000 0.846 96 Q CB -0.212 28.480 28.738 -0.077 0.000 0.902 96 Q HN 0.666 nan 8.270 nan 0.000 0.421 97 N N -0.823 117.756 118.700 -0.201 0.000 2.149 97 N HA -0.127 4.613 4.740 -0.001 0.000 0.188 97 N C 1.454 176.851 175.510 -0.188 0.000 1.019 97 N CA 1.975 54.900 53.050 -0.209 0.000 0.857 97 N CB -0.068 38.260 38.487 -0.265 0.000 0.997 97 N HN 0.136 nan 8.380 nan 0.000 0.426 98 T N 0.200 114.607 114.554 -0.245 0.000 2.737 98 T HA -0.055 4.294 4.350 -0.001 0.000 0.265 98 T C 1.914 176.559 174.700 -0.091 0.000 1.038 98 T CA 1.152 63.137 62.100 -0.191 0.000 1.144 98 T CB -0.173 68.551 68.868 -0.240 0.000 0.866 98 T HN 0.245 nan 8.240 nan 0.000 0.434 99 M N 0.619 120.182 119.600 -0.062 0.000 2.108 99 M HA -0.100 4.380 4.480 -0.001 0.000 0.261 99 M C 2.450 178.723 176.300 -0.045 0.000 1.066 99 M CA 1.277 56.553 55.300 -0.040 0.000 1.107 99 M CB -0.606 31.986 32.600 -0.013 0.000 1.356 99 M HN 0.102 nan 8.290 nan 0.000 0.406 100 V N 0.778 120.671 119.914 -0.035 0.000 2.270 100 V HA -0.259 3.861 4.120 -0.001 0.000 0.245 100 V C 1.922 178.043 176.094 0.045 0.000 1.043 100 V CA 1.731 64.039 62.300 0.014 0.000 1.014 100 V CB -0.764 31.067 31.823 0.012 0.000 0.645 100 V HN 0.499 nan 8.190 nan 0.000 0.447 101 N N -0.180 118.531 118.700 0.019 0.000 2.459 101 N HA -0.058 4.682 4.740 -0.001 0.000 0.181 101 N C 1.114 176.541 175.510 -0.138 0.000 1.046 101 N CA 0.867 53.917 53.050 -0.001 0.000 0.904 101 N CB 0.164 38.651 38.487 -0.000 0.000 0.964 101 N HN 0.297 nan 8.380 nan 0.000 0.444 102 L N 0.181 121.338 121.223 -0.110 0.000 2.693 102 L HA 0.328 4.667 4.340 -0.001 0.000 0.235 102 L C 0.870 177.661 176.870 -0.131 0.000 1.127 102 L CA -0.168 54.602 54.840 -0.117 0.000 0.914 102 L CB -0.486 41.525 42.059 -0.081 0.000 1.193 102 L HN 0.033 nan 8.230 nan 0.000 0.502 103 A N -0.539 122.202 122.820 -0.132 0.000 2.832 103 A HA -0.230 4.090 4.320 -0.001 0.000 0.280 103 A C 1.119 178.649 177.584 -0.090 0.000 1.464 103 A CA 1.090 53.062 52.037 -0.108 0.000 0.804 103 A CB -1.910 17.014 19.000 -0.127 0.000 1.020 103 A HN 0.233 nan 8.150 nan 0.000 0.563 104 L N -0.913 120.254 121.223 -0.093 0.000 2.693 104 L HA 0.251 4.590 4.340 -0.001 0.000 0.235 104 L C 1.826 178.660 176.870 -0.059 0.000 1.127 104 L CA 1.495 56.272 54.840 -0.106 0.000 0.914 104 L CB -0.239 41.723 42.059 -0.162 0.000 1.193 104 L HN 0.616 nan 8.230 nan 0.000 0.502 105 E N -0.153 120.024 120.200 -0.039 0.000 2.031 105 E HA -0.216 4.134 4.350 -0.001 0.000 0.193 105 E C 1.580 178.171 176.600 -0.015 0.000 0.994 105 E CA 1.226 57.615 56.400 -0.018 0.000 0.800 105 E CB 0.256 29.949 29.700 -0.012 0.000 0.752 105 E HN 0.378 nan 8.360 nan 0.000 0.447 106 N N 0.108 118.796 118.700 -0.020 0.000 2.188 106 N HA -0.116 4.623 4.740 -0.001 0.000 0.184 106 N C 1.508 177.006 175.510 -0.021 0.000 1.018 106 N CA 1.177 54.214 53.050 -0.022 0.000 0.858 106 N CB -0.297 38.176 38.487 -0.024 0.000 0.989 106 N HN 0.224 nan 8.380 nan 0.000 0.426 107 A N 0.189 122.996 122.820 -0.023 0.000 1.898 107 A HA -0.125 4.195 4.320 -0.001 0.000 0.216 107 A C 2.643 180.224 177.584 -0.005 0.000 1.181 107 A CA 1.232 53.258 52.037 -0.017 0.000 0.620 107 A CB -0.957 18.025 19.000 -0.029 0.000 0.819 107 A HN 0.433 nan 8.150 nan 0.000 0.442 108 C N -0.814 118.485 119.300 -0.003 0.000 2.440 108 C HA -0.058 4.401 4.460 -0.001 0.000 0.278 108 C C 2.453 177.452 174.990 0.016 0.000 1.295 108 C CA 1.146 60.175 59.018 0.019 0.000 1.738 108 C CB -1.083 26.681 27.740 0.040 0.000 1.987 108 C HN 0.707 nan 8.230 nan 0.000 0.492 109 D N 0.709 121.117 120.400 0.013 0.000 2.117 109 D HA -0.139 4.500 4.640 -0.001 0.000 0.197 109 D C 2.129 178.450 176.300 0.035 0.000 0.987 109 D CA 1.440 55.450 54.000 0.017 0.000 0.829 109 D CB -0.220 40.579 40.800 -0.003 0.000 0.961 109 D HN 0.468 nan 8.370 nan 0.000 0.460 110 E N 0.175 120.386 120.200 0.019 0.000 2.047 110 E HA -0.036 4.313 4.350 -0.001 0.000 0.191 110 E C 1.883 178.529 176.600 0.077 0.000 0.987 110 E CA 1.547 57.978 56.400 0.053 0.000 0.799 110 E CB -0.578 29.131 29.700 0.014 0.000 0.752 110 E HN 0.206 nan 8.360 nan 0.000 0.449 111 A N -0.054 122.775 122.820 0.015 0.000 1.883 111 A HA -0.213 4.107 4.320 -0.001 0.000 0.217 111 A C 2.490 179.997 177.584 -0.127 0.000 1.186 111 A CA 2.837 54.852 52.037 -0.037 0.000 0.624 111 A CB -1.459 17.524 19.000 -0.029 0.000 0.822 111 A HN 0.519 nan 8.150 nan 0.000 0.444 112 T N -3.723 110.753 114.554 -0.129 0.000 2.821 112 T HA -0.200 4.150 4.350 -0.001 0.000 0.267 112 T C 1.844 176.460 174.700 -0.140 0.000 1.046 112 T CA 1.475 63.438 62.100 -0.227 0.000 1.139 112 T CB -0.580 68.204 68.868 -0.141 0.000 0.871 112 T HN 0.458 nan 8.240 nan 0.000 0.454 113 Y N 2.261 122.481 120.300 -0.133 0.000 2.181 113 Y HA -0.106 4.443 4.550 -0.001 0.000 0.288 113 Y C 2.634 178.470 175.900 -0.105 0.000 1.146 113 Y CA 1.573 59.614 58.100 -0.099 0.000 1.164 113 Y CB -0.467 37.954 38.460 -0.064 0.000 0.982 113 Y HN 0.252 nan 8.280 nan 0.000 0.515 114 Q N -0.285 119.446 119.800 -0.116 0.000 2.224 114 Q HA -0.094 4.246 4.340 -0.001 0.000 0.203 114 Q C 1.874 177.734 176.000 -0.232 0.000 0.970 114 Q CA 1.326 57.023 55.803 -0.176 0.000 0.865 114 Q CB -0.085 28.625 28.738 -0.047 0.000 0.922 114 Q HN 0.509 nan 8.270 nan 0.000 0.445 115 L N -0.802 120.262 121.223 -0.265 0.000 2.599 115 L HA 0.145 4.485 4.340 -0.001 0.000 0.230 115 L C 0.983 177.670 176.870 -0.304 0.000 1.141 115 L CA 0.345 55.007 54.840 -0.296 0.000 0.877 115 L CB 0.039 41.828 42.059 -0.449 0.000 1.009 115 L HN 0.348 nan 8.230 nan 0.000 0.447 116 G N 0.571 109.178 108.800 -0.323 0.000 2.142 116 G HA2 -0.241 3.719 3.960 -0.001 0.000 0.225 116 G HA3 -0.241 3.719 3.960 -0.001 0.000 0.225 116 G C -0.169 174.594 174.900 -0.227 0.000 1.015 116 G CA -0.233 44.697 45.100 -0.284 0.000 0.716 116 G HN 0.218 nan 8.290 nan 0.000 0.508 117 L N -0.006 121.081 121.223 -0.227 0.000 2.354 117 L HA 0.610 4.950 4.340 -0.001 0.000 0.269 117 L C -0.561 176.284 176.870 -0.041 0.000 1.005 117 L CA -1.161 53.588 54.840 -0.151 0.000 0.819 117 L CB 1.924 43.840 42.059 -0.238 0.000 1.311 117 L HN 0.095 nan 8.230 nan 0.000 0.423 118 D N 2.338 122.747 120.400 0.016 0.000 2.396 118 D HA 0.173 4.812 4.640 -0.001 0.000 0.225 118 D C 0.648 176.989 176.300 0.067 0.000 1.121 118 D CA -0.229 53.806 54.000 0.058 0.000 0.853 118 D CB 1.429 42.266 40.800 0.062 0.000 1.043 118 D HN 0.517 nan 8.370 nan 0.000 0.500 119 M N 3.137 122.777 119.600 0.067 0.000 2.159 119 M HA -0.138 4.341 4.480 -0.001 0.000 0.263 119 M C 1.268 177.621 176.300 0.088 0.000 1.063 119 M CA 1.525 56.875 55.300 0.084 0.000 1.110 119 M CB 0.201 32.843 32.600 0.069 0.000 1.374 119 M HN 0.413 nan 8.290 nan 0.000 0.411 120 E N -0.121 120.119 120.200 0.067 0.000 2.110 120 E HA -0.257 4.093 4.350 -0.001 0.000 0.193 120 E C 1.859 178.495 176.600 0.060 0.000 0.988 120 E CA 1.404 57.838 56.400 0.057 0.000 0.804 120 E CB -0.213 29.515 29.700 0.047 0.000 0.745 120 E HN 0.634 nan 8.360 nan 0.000 0.458 121 E N 0.519 120.759 120.200 0.067 0.000 2.110 121 E HA -0.213 4.136 4.350 -0.001 0.000 0.193 121 E C 1.899 178.544 176.600 0.074 0.000 0.988 121 E CA 0.686 57.126 56.400 0.066 0.000 0.804 121 E CB 0.155 29.898 29.700 0.070 0.000 0.745 121 E HN 0.089 nan 8.360 nan 0.000 0.458 122 L N 1.276 122.568 121.223 0.115 0.000 2.093 122 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 122 L C 2.043 178.979 176.870 0.109 0.000 1.085 122 L CA 1.596 56.543 54.840 0.179 0.000 0.755 122 L CB -0.558 41.664 42.059 0.271 0.000 0.904 122 L HN 0.120 nan 8.230 nan 0.000 0.435 123 E N -0.686 119.565 120.200 0.084 0.000 2.153 123 E HA -0.191 4.159 4.350 -0.001 0.000 0.194 123 E C 1.777 178.311 176.600 -0.111 0.000 0.988 123 E CA 0.783 57.189 56.400 0.010 0.000 0.811 123 E CB -0.009 29.715 29.700 0.039 0.000 0.746 123 E HN 0.396 nan 8.360 nan 0.000 0.466 124 E N 0.248 120.411 120.200 -0.061 0.000 2.409 124 E HA -0.123 4.226 4.350 -0.001 0.000 0.198 124 E C 1.780 178.306 176.600 -0.124 0.000 1.024 124 E CA 0.604 56.971 56.400 -0.055 0.000 0.861 124 E CB 0.034 29.741 29.700 0.010 0.000 0.788 124 E HN 0.398 nan 8.360 nan 0.000 0.521 125 I N 0.727 121.150 120.570 -0.246 0.000 2.716 125 I HA -0.084 4.085 4.170 -0.001 0.000 0.259 125 I C 1.325 177.129 176.117 -0.522 0.000 1.172 125 I CA 0.220 61.315 61.300 -0.341 0.000 1.478 125 I CB 0.175 37.977 38.000 -0.331 0.000 1.104 125 I HN -0.058 nan 8.210 nan 0.000 0.439 126 E N 2.288 122.050 120.200 -0.731 0.000 2.376 126 E HA -0.043 4.306 4.350 -0.001 0.000 0.266 126 E C -0.085 176.430 176.600 -0.142 0.000 1.009 126 E CA -0.123 55.932 56.400 -0.574 0.000 0.902 126 E CB 0.557 30.005 29.700 -0.421 0.000 0.972 126 E HN 0.094 nan 8.360 nan 0.000 0.439 127 E N 3.057 123.274 120.200 0.028 0.000 2.338 127 E HA 0.053 4.403 4.350 -0.001 0.000 0.272 127 E C -1.149 175.561 176.600 0.184 0.000 1.029 127 E CA -0.284 56.214 56.400 0.163 0.000 0.872 127 E CB 0.698 30.589 29.700 0.317 0.000 1.015 127 E HN 0.370 nan 8.360 nan 0.000 0.417 128 D N 1.936 122.409 120.400 0.121 0.000 2.472 128 D HA 0.144 4.784 4.640 -0.001 0.000 0.237 128 D C -0.670 175.656 176.300 0.044 0.000 1.141 128 D CA 0.418 54.457 54.000 0.065 0.000 0.875 128 D CB 0.675 41.489 40.800 0.023 0.000 1.192 128 D HN 0.434 nan 8.370 nan 0.000 0.450 129 A N 2.455 125.230 122.820 -0.074 0.000 2.671 129 A HA 0.474 4.794 4.320 -0.001 0.000 0.306 129 A C 0.958 178.365 177.584 -0.294 0.000 1.473 129 A CA -0.425 51.309 52.037 -0.505 0.000 1.155 129 A CB -0.279 18.519 19.000 -0.335 0.000 1.123 129 A HN 0.563 nan 8.150 nan 0.000 0.545 130 G N 2.089 110.691 108.800 -0.330 0.000 4.198 130 G HA2 0.443 4.402 3.960 -0.001 0.000 0.282 130 G HA3 0.443 4.402 3.960 -0.001 0.000 0.282 130 G C 0.216 174.956 174.900 -0.266 0.000 1.262 130 G CA -0.310 44.739 45.100 -0.085 0.000 1.473 130 G HN 0.674 nan 8.290 nan 0.000 0.624 131 L N 1.366 122.466 121.223 -0.204 0.000 2.968 131 L HA 0.427 4.766 4.340 -0.001 0.000 0.235 131 L C 1.017 177.846 176.870 -0.070 0.000 1.323 131 L CA -0.281 54.526 54.840 -0.056 0.000 1.159 131 L CB -0.178 41.948 42.059 0.112 0.000 1.523 131 L HN 0.324 nan 8.230 nan 0.000 0.468 132 G N -1.246 107.278 108.800 -0.459 0.000 2.649 132 G HA2 0.235 4.195 3.960 -0.001 0.000 0.290 132 G HA3 0.235 4.195 3.960 -0.001 0.000 0.290 132 G C -0.196 174.148 174.900 -0.926 0.000 1.426 132 G CA -0.405 44.356 45.100 -0.564 0.000 0.794 132 G HN -0.077 nan 8.290 nan 0.000 0.483 133 N N -0.996 117.403 118.700 -0.502 0.000 2.499 133 N HA 0.224 4.963 4.740 -0.001 0.000 0.182 133 N C 1.094 176.571 175.510 -0.054 0.000 1.034 133 N CA 1.194 54.085 53.050 -0.265 0.000 0.882 133 N CB 1.434 39.898 38.487 -0.039 0.000 1.125 133 N HN 0.781 nan 8.380 nan 0.000 0.436 134 G N -0.711 108.150 108.800 0.101 0.000 3.078 134 G HA2 0.247 4.206 3.960 -0.001 0.000 0.131 134 G HA3 0.247 4.206 3.960 -0.001 0.000 0.131 134 G C 0.677 175.724 174.900 0.245 0.000 1.219 134 G CA 0.309 45.579 45.100 0.282 0.000 1.319 134 G HN 0.176 nan 8.290 nan 0.000 0.653 135 G N 0.396 109.278 108.800 0.135 0.000 2.434 135 G HA2 -0.014 3.945 3.960 -0.001 0.000 0.214 135 G HA3 -0.014 3.945 3.960 -0.001 0.000 0.214 135 G C 1.903 176.813 174.900 0.017 0.000 1.202 135 G CA 1.328 46.471 45.100 0.072 0.000 0.788 135 G HN 0.824 nan 8.290 nan 0.000 0.539 136 L N 0.783 121.972 121.223 -0.056 0.000 2.043 136 L HA -0.035 4.305 4.340 -0.001 0.000 0.212 136 L C 2.752 179.548 176.870 -0.124 0.000 1.075 136 L CA 2.216 56.913 54.840 -0.238 0.000 0.752 136 L CB -0.601 41.218 42.059 -0.400 0.000 0.891 136 L HN 0.259 nan 8.230 nan 0.000 0.432 137 G N -0.720 108.071 108.800 -0.015 0.000 2.408 137 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.217 137 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.217 137 G C 1.712 176.698 174.900 0.144 0.000 1.150 137 G CA 0.378 45.499 45.100 0.036 0.000 0.776 137 G HN 0.217 nan 8.290 nan 0.000 0.542 138 R N 0.026 120.648 120.500 0.203 0.000 2.093 138 R HA 0.147 4.487 4.340 -0.001 0.000 0.224 138 R C 2.486 178.806 176.300 0.033 0.000 1.101 138 R CA 0.654 56.841 56.100 0.145 0.000 0.979 138 R CB -0.962 29.387 30.300 0.081 0.000 0.877 138 R HN 0.399 nan 8.270 nan 0.000 0.441 139 L N 0.867 122.038 121.223 -0.088 0.000 2.012 139 L HA -0.119 4.220 4.340 -0.001 0.000 0.210 139 L C 2.234 178.806 176.870 -0.497 0.000 1.073 139 L CA 2.255 56.890 54.840 -0.341 0.000 0.748 139 L CB -0.741 41.071 42.059 -0.412 0.000 0.891 139 L HN 0.189 nan 8.230 nan 0.000 0.431 140 A N -0.414 122.248 122.820 -0.264 0.000 1.903 140 A HA -0.270 4.050 4.320 -0.001 0.000 0.219 140 A C 2.454 180.127 177.584 0.148 0.000 1.191 140 A CA 2.364 54.345 52.037 -0.094 0.000 0.638 140 A CB -1.322 17.561 19.000 -0.195 0.000 0.823 140 A HN 0.623 nan 8.150 nan 0.000 0.451 141 A N -1.198 121.734 122.820 0.185 0.000 1.873 141 A HA -0.158 4.161 4.320 -0.001 0.000 0.215 141 A C 2.334 180.011 177.584 0.156 0.000 1.186 141 A CA 1.672 53.841 52.037 0.220 0.000 0.616 141 A CB -1.315 17.796 19.000 0.184 0.000 0.823 141 A HN 0.633 nan 8.150 nan 0.000 0.442 142 C N -1.484 117.910 119.300 0.157 0.000 2.425 142 C HA -0.074 4.386 4.460 -0.001 0.000 0.277 142 C C 2.433 177.597 174.990 0.289 0.000 1.280 142 C CA 0.630 59.776 59.018 0.213 0.000 1.744 142 C CB -1.641 26.255 27.740 0.261 0.000 1.989 142 C HN 0.595 nan 8.230 nan 0.000 0.491 143 F N 1.185 121.129 119.950 -0.009 0.000 2.102 143 F HA -0.057 4.469 4.527 -0.001 0.000 0.298 143 F C 2.278 178.026 175.800 -0.087 0.000 1.105 143 F CA 0.990 58.926 58.000 -0.108 0.000 1.239 143 F CB -1.364 37.426 39.000 -0.350 0.000 0.991 143 F HN 0.175 nan 8.300 nan 0.000 0.474 144 L N -0.335 120.983 121.223 0.159 0.000 2.013 144 L HA -0.282 4.058 4.340 -0.001 0.000 0.212 144 L C 2.172 179.060 176.870 0.031 0.000 1.073 144 L CA 2.112 56.994 54.840 0.071 0.000 0.753 144 L CB -0.930 41.170 42.059 0.069 0.000 0.890 144 L HN 0.122 nan 8.230 nan 0.000 0.432 145 D N -0.303 120.124 120.400 0.045 0.000 2.106 145 D HA -0.191 4.448 4.640 -0.001 0.000 0.191 145 D C 2.176 178.498 176.300 0.037 0.000 0.997 145 D CA 1.750 55.763 54.000 0.022 0.000 0.834 145 D CB 0.176 40.990 40.800 0.023 0.000 0.956 145 D HN 0.113 nan 8.370 nan 0.000 0.448 146 S N -0.899 114.840 115.700 0.065 0.000 2.406 146 S HA -0.042 4.427 4.470 -0.001 0.000 0.228 146 S C 1.927 176.545 174.600 0.029 0.000 1.020 146 S CA 0.605 58.836 58.200 0.051 0.000 0.965 146 S CB -0.159 63.079 63.200 0.065 0.000 0.798 146 S HN 0.338 nan 8.310 nan 0.000 0.488 147 M N 0.859 120.468 119.600 0.015 0.000 2.296 147 M HA -0.027 4.453 4.480 -0.001 0.000 0.265 147 M C 2.325 178.629 176.300 0.008 0.000 1.064 147 M CA 1.121 56.426 55.300 0.008 0.000 1.109 147 M CB -0.372 32.211 32.600 -0.028 0.000 1.396 147 M HN 0.393 nan 8.290 nan 0.000 0.430 148 A N -0.383 122.440 122.820 0.006 0.000 1.898 148 A HA -0.069 4.250 4.320 -0.001 0.000 0.214 148 A C 2.133 179.738 177.584 0.036 0.000 1.183 148 A CA 1.621 53.666 52.037 0.014 0.000 0.622 148 A CB -0.854 18.139 19.000 -0.012 0.000 0.824 148 A HN 0.368 nan 8.150 nan 0.000 0.444 149 T N 0.465 115.045 114.554 0.042 0.000 2.915 149 T HA 0.033 4.382 4.350 -0.001 0.000 0.269 149 T C 1.317 176.052 174.700 0.058 0.000 1.071 149 T CA 0.915 63.052 62.100 0.061 0.000 1.132 149 T CB -0.257 68.659 68.868 0.079 0.000 0.878 149 T HN 0.323 nan 8.240 nan 0.000 0.479 150 L N 0.590 121.844 121.223 0.053 0.000 2.629 150 L HA 0.281 4.620 4.340 -0.001 0.000 0.230 150 L C 1.732 178.642 176.870 0.067 0.000 1.151 150 L CA 0.038 54.913 54.840 0.057 0.000 0.924 150 L CB -0.540 41.553 42.059 0.057 0.000 1.137 150 L HN 0.423 nan 8.230 nan 0.000 0.457 151 G N 0.824 109.669 108.800 0.075 0.000 2.179 151 G HA2 -0.282 3.677 3.960 -0.001 0.000 0.257 151 G HA3 -0.282 3.677 3.960 -0.001 0.000 0.257 151 G C 0.227 175.198 174.900 0.118 0.000 1.010 151 G CA -0.058 45.111 45.100 0.114 0.000 0.736 151 G HN 0.286 nan 8.290 nan 0.000 0.513 152 L N 0.118 121.369 121.223 0.048 0.000 2.349 152 L HA 0.554 4.894 4.340 -0.001 0.000 0.275 152 L C 1.212 177.935 176.870 -0.245 0.000 1.115 152 L CA -0.127 54.679 54.840 -0.055 0.000 0.820 152 L CB 1.401 43.438 42.059 -0.037 0.000 1.135 152 L HN 0.264 nan 8.230 nan 0.000 0.445 153 A N 3.396 125.895 122.820 -0.535 0.000 2.990 153 A HA 0.549 4.868 4.320 -0.001 0.000 0.282 153 A C 0.353 177.561 177.584 -0.627 0.000 1.688 153 A CA -0.208 51.172 52.037 -1.094 0.000 1.391 153 A CB -0.530 17.700 19.000 -1.283 0.000 1.112 153 A HN 0.730 nan 8.150 nan 0.000 0.588 154 A N 1.886 124.350 122.820 -0.594 0.000 2.318 154 A HA 0.739 5.058 4.320 -0.001 0.000 0.324 154 A C -1.144 176.116 177.584 -0.540 0.000 1.170 154 A CA -0.427 51.352 52.037 -0.431 0.000 0.810 154 A CB 0.620 19.451 19.000 -0.282 0.000 1.198 154 A HN 0.586 nan 8.150 nan 0.000 0.484 155 Y N 0.921 121.128 120.300 -0.156 0.000 2.328 155 Y HA 0.535 5.085 4.550 -0.001 0.000 0.336 155 Y C 0.958 176.958 175.900 0.167 0.000 0.960 155 Y CA -0.767 57.340 58.100 0.010 0.000 1.134 155 Y CB 1.923 40.471 38.460 0.148 0.000 1.166 155 Y HN 0.801 nan 8.280 nan 0.000 0.464 156 G N 2.205 111.089 108.800 0.139 0.000 2.370 156 G HA2 0.363 4.323 3.960 -0.001 0.000 0.272 156 G HA3 0.363 4.323 3.960 -0.001 0.000 0.272 156 G C -1.648 173.251 174.900 -0.002 0.000 1.208 156 G CA -0.144 45.036 45.100 0.134 0.000 0.856 156 G HN 0.560 nan 8.290 nan 0.000 0.500 157 Y N 1.267 121.764 120.300 0.330 0.000 2.322 157 Y HA 0.560 5.109 4.550 -0.001 0.000 0.324 157 Y C 0.682 176.880 175.900 0.498 0.000 1.027 157 Y CA 0.077 58.375 58.100 0.329 0.000 1.179 157 Y CB 2.347 41.037 38.460 0.383 0.000 1.136 157 Y HN 0.882 nan 8.280 nan 0.000 0.449 158 G N 2.583 111.697 108.800 0.523 0.000 2.976 158 G HA2 0.637 4.596 3.960 -0.001 0.000 0.276 158 G HA3 0.637 4.596 3.960 -0.001 0.000 0.276 158 G C -1.514 173.627 174.900 0.400 0.000 1.207 158 G CA -0.835 44.603 45.100 0.562 0.000 0.803 158 G HN 0.352 nan 8.290 nan 0.000 0.572 159 I N 0.542 121.238 120.570 0.209 0.000 2.433 159 I HA 0.433 4.603 4.170 -0.001 0.000 0.292 159 I C -0.020 176.008 176.117 -0.149 0.000 1.001 159 I CA -0.742 60.578 61.300 0.033 0.000 1.119 159 I CB 2.252 40.061 38.000 -0.319 0.000 1.289 159 I HN 0.381 nan 8.210 nan 0.000 0.438 160 R N 5.835 126.347 120.500 0.021 0.000 2.612 160 R HA 0.219 4.558 4.340 -0.001 0.000 0.273 160 R C -1.159 175.180 176.300 0.066 0.000 1.376 160 R CA -0.434 55.699 56.100 0.055 0.000 1.171 160 R CB -0.052 30.246 30.300 -0.004 0.000 1.151 160 R HN 0.395 nan 8.270 nan 0.000 0.560 161 Y N 1.724 122.167 120.300 0.239 0.000 2.526 161 Y HA -0.107 4.442 4.550 -0.001 0.000 0.330 161 Y C 1.605 177.638 175.900 0.222 0.000 1.156 161 Y CA 0.173 58.394 58.100 0.202 0.000 1.419 161 Y CB 0.714 39.275 38.460 0.169 0.000 1.250 161 Y HN 0.606 nan 8.280 nan 0.000 0.540 162 E N 2.173 122.484 120.200 0.185 0.000 2.110 162 E HA -0.107 4.243 4.350 -0.001 0.000 0.193 162 E C -0.735 175.572 176.600 -0.488 0.000 0.988 162 E CA 0.861 57.122 56.400 -0.232 0.000 0.804 162 E CB 0.140 29.585 29.700 -0.424 0.000 0.745 162 E HN 0.468 nan 8.360 nan 0.000 0.458 163 F N -0.394 119.763 119.950 0.344 0.000 2.477 163 F HA 0.455 4.981 4.527 -0.001 0.000 0.335 163 F C 0.786 176.676 175.800 0.150 0.000 1.130 163 F CA -0.774 57.393 58.000 0.279 0.000 0.948 163 F CB 1.763 40.857 39.000 0.156 0.000 1.154 163 F HN -0.109 nan 8.300 nan 0.000 0.439 164 G N 1.705 110.619 108.800 0.191 0.000 2.546 164 G HA2 0.332 4.291 3.960 -0.001 0.000 0.239 164 G HA3 0.332 4.291 3.960 -0.001 0.000 0.239 164 G C -0.539 174.334 174.900 -0.045 0.000 1.476 164 G CA -0.597 44.468 45.100 -0.057 0.000 1.064 164 G HN 0.542 nan 8.290 nan 0.000 0.561 165 I N 1.044 121.522 120.570 -0.153 0.000 2.618 165 I HA 0.240 4.410 4.170 -0.001 0.000 0.284 165 I C 0.494 176.535 176.117 -0.127 0.000 1.146 165 I CA -1.395 59.791 61.300 -0.190 0.000 1.425 165 I CB -0.350 37.446 38.000 -0.341 0.000 1.383 165 I HN 0.334 nan 8.210 nan 0.000 0.562 166 F N 5.623 125.586 119.950 0.021 0.000 2.635 166 F HA 0.092 4.618 4.527 -0.001 0.000 0.379 166 F C 0.593 176.444 175.800 0.085 0.000 1.094 166 F CA -0.508 57.523 58.000 0.053 0.000 1.300 166 F CB -0.430 38.588 39.000 0.031 0.000 1.035 166 F HN 0.610 nan 8.300 nan 0.000 0.581 167 N N 3.382 122.225 118.700 0.239 0.000 2.434 167 N HA -0.033 4.706 4.740 -0.001 0.000 0.268 167 N C -0.778 174.945 175.510 0.356 0.000 1.256 167 N CA 0.094 53.275 53.050 0.218 0.000 0.914 167 N CB 0.367 38.980 38.487 0.210 0.000 1.088 167 N HN 0.833 nan 8.380 nan 0.000 0.478 168 Q N 3.118 123.093 119.800 0.291 0.000 2.296 168 Q HA 0.198 4.538 4.340 -0.001 0.000 0.257 168 Q C -0.807 175.360 176.000 0.279 0.000 0.942 168 Q CA -0.308 55.721 55.803 0.376 0.000 0.939 168 Q CB 0.613 29.567 28.738 0.359 0.000 1.198 168 Q HN 0.465 nan 8.270 nan 0.000 0.429 169 K N 3.221 123.770 120.400 0.249 0.000 2.221 169 K HA 0.542 4.861 4.320 -0.001 0.000 0.243 169 K C -0.778 175.934 176.600 0.186 0.000 0.968 169 K CA -0.849 55.562 56.287 0.207 0.000 0.846 169 K CB 1.439 34.041 32.500 0.170 0.000 1.141 169 K HN 0.525 nan 8.250 nan 0.000 0.434 170 I N 1.989 122.657 120.570 0.164 0.000 2.382 170 I HA 0.259 4.429 4.170 -0.001 0.000 0.286 170 I C -0.833 175.355 176.117 0.118 0.000 1.002 170 I CA -0.634 60.741 61.300 0.124 0.000 1.135 170 I CB 1.051 39.114 38.000 0.104 0.000 1.288 170 I HN 0.610 nan 8.210 nan 0.000 0.448 171 C N 3.719 123.101 119.300 0.136 0.000 2.381 171 C HA 0.609 5.069 4.460 -0.001 0.000 0.328 171 C C 1.041 176.150 174.990 0.199 0.000 1.190 171 C CA -0.548 58.553 59.018 0.138 0.000 1.369 171 C CB 0.639 28.449 27.740 0.117 0.000 2.029 171 C HN 1.097 nan 8.230 nan 0.000 0.448 172 G N 2.317 111.208 108.800 0.151 0.000 2.249 172 G HA2 0.156 4.115 3.960 -0.001 0.000 0.273 172 G HA3 0.156 4.115 3.960 -0.001 0.000 0.273 172 G C 1.081 176.047 174.900 0.111 0.000 1.036 172 G CA 0.961 46.170 45.100 0.181 0.000 0.824 172 G HN 2.452 nan 8.290 nan 0.000 0.504 173 G N -2.888 105.900 108.800 -0.020 0.000 2.179 173 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.260 173 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.260 173 G C 0.337 175.002 174.900 -0.391 0.000 0.977 173 G CA 0.714 45.673 45.100 -0.234 0.000 0.641 173 G HN 1.230 nan 8.290 nan 0.000 0.533 174 W N 0.808 122.060 121.300 -0.079 0.000 2.551 174 W HA 0.653 5.312 4.660 -0.001 0.000 0.330 174 W C 0.561 177.033 176.519 -0.078 0.000 1.063 174 W CA -0.910 56.379 57.345 -0.094 0.000 1.222 174 W CB 0.955 30.376 29.460 -0.065 0.000 1.349 174 W HN 0.264 nan 8.180 nan 0.000 0.536 175 Q N 3.397 123.293 119.800 0.160 0.000 2.313 175 Q HA 0.250 4.590 4.340 -0.001 0.000 0.266 175 Q C -0.579 175.493 176.000 0.121 0.000 0.989 175 Q CA 0.117 55.995 55.803 0.124 0.000 0.890 175 Q CB 0.606 29.406 28.738 0.104 0.000 1.200 175 Q HN 0.314 nan 8.270 nan 0.000 0.396 176 M N 3.083 122.751 119.600 0.113 0.000 2.456 176 M HA 0.387 4.866 4.480 -0.001 0.000 0.324 176 M C -1.052 175.284 176.300 0.060 0.000 1.124 176 M CA -0.647 54.686 55.300 0.056 0.000 0.959 176 M CB 1.674 34.314 32.600 0.066 0.000 1.692 176 M HN 0.620 nan 8.290 nan 0.000 0.444 177 E N 1.590 121.754 120.200 -0.060 0.000 2.175 177 E HA 0.471 4.821 4.350 -0.001 0.000 0.278 177 E C -0.771 175.838 176.600 0.015 0.000 0.969 177 E CA -0.450 55.895 56.400 -0.091 0.000 0.796 177 E CB 1.529 30.935 29.700 -0.489 0.000 1.104 177 E HN 0.252 nan 8.360 nan 0.000 0.395 178 E N 0.964 121.243 120.200 0.132 0.000 2.288 178 E HA 0.481 4.830 4.350 -0.001 0.000 0.268 178 E C -0.804 175.870 176.600 0.123 0.000 0.885 178 E CA -1.098 55.358 56.400 0.093 0.000 0.767 178 E CB 1.919 31.684 29.700 0.108 0.000 1.220 178 E HN 0.551 nan 8.360 nan 0.000 0.427 179 A N 1.725 124.563 122.820 0.030 0.000 2.567 179 A HA -0.024 4.295 4.320 -0.001 0.000 0.240 179 A C 0.206 177.911 177.584 0.202 0.000 1.053 179 A CA 0.190 52.227 52.037 0.001 0.000 0.755 179 A CB -0.215 18.589 19.000 -0.327 0.000 0.978 179 A HN 0.500 nan 8.150 nan 0.000 0.507 180 D N 1.758 122.360 120.400 0.336 0.000 2.517 180 D HA 0.195 4.835 4.640 -0.001 0.000 0.220 180 D C -0.425 176.231 176.300 0.593 0.000 1.158 180 D CA -0.173 54.060 54.000 0.389 0.000 0.992 180 D CB 0.230 41.205 40.800 0.291 0.000 1.058 180 D HN 0.397 nan 8.370 nan 0.000 0.516 181 D N 3.558 124.269 120.400 0.518 0.000 2.608 181 D HA -0.021 4.619 4.640 -0.001 0.000 0.224 181 D C 1.079 177.563 176.300 0.307 0.000 1.123 181 D CA -0.543 53.730 54.000 0.454 0.000 1.030 181 D CB -0.125 40.900 40.800 0.374 0.000 1.093 181 D HN 0.543 nan 8.370 nan 0.000 0.497 182 W N 2.491 123.862 121.300 0.119 0.000 2.584 182 W HA 0.020 4.680 4.660 -0.001 0.000 0.264 182 W C 0.133 176.724 176.519 0.120 0.000 1.264 182 W CA 0.021 57.443 57.345 0.128 0.000 1.306 182 W CB -0.642 28.890 29.460 0.119 0.000 1.110 182 W HN 0.170 nan 8.180 nan 0.000 0.606 183 L N 1.200 122.068 121.223 -0.591 0.000 2.611 183 L HA 0.188 4.527 4.340 -0.001 0.000 0.229 183 L C 2.662 179.395 176.870 -0.228 0.000 1.137 183 L CA -0.038 54.465 54.840 -0.561 0.000 0.901 183 L CB -0.684 40.936 42.059 -0.731 0.000 1.098 183 L HN -0.093 nan 8.230 nan 0.000 0.456 184 R N 0.772 121.201 120.500 -0.119 0.000 2.112 184 R HA -0.234 4.106 4.340 -0.001 0.000 0.242 184 R C 1.094 177.238 176.300 -0.261 0.000 1.137 184 R CA 2.162 58.151 56.100 -0.184 0.000 0.944 184 R CB -0.186 30.010 30.300 -0.173 0.000 0.857 184 R HN 0.304 nan 8.270 nan 0.000 0.435 185 Y N -0.270 120.056 120.300 0.043 0.000 2.571 185 Y HA 0.344 4.894 4.550 -0.001 0.000 0.275 185 Y C 0.614 176.486 175.900 -0.047 0.000 1.179 185 Y CA 0.248 58.367 58.100 0.033 0.000 1.242 185 Y CB 0.870 39.459 38.460 0.214 0.000 1.126 185 Y HN 0.438 nan 8.280 nan 0.000 0.524 186 G N 1.536 110.364 108.800 0.047 0.000 2.733 186 G HA2 -0.264 3.696 3.960 -0.001 0.000 0.686 186 G HA3 -0.264 3.696 3.960 -0.001 0.000 0.686 186 G C -1.030 173.951 174.900 0.134 0.000 1.373 186 G CA -0.768 44.338 45.100 0.011 0.000 0.838 186 G HN 0.310 nan 8.290 nan 0.000 0.588 187 N N 1.413 120.134 118.700 0.034 0.000 2.569 187 N HA 0.581 5.320 4.740 -0.001 0.000 0.254 187 N C -0.711 174.804 175.510 0.008 0.000 1.004 187 N CA -2.147 50.942 53.050 0.065 0.000 0.904 187 N CB 1.843 40.303 38.487 -0.045 0.000 1.165 187 N HN 0.201 nan 8.380 nan 0.000 0.513 188 P HA 0.029 nan 4.420 nan 0.000 0.226 188 P C 0.573 177.577 177.300 -0.493 0.000 1.153 188 P CA 0.826 63.619 63.100 -0.511 0.000 0.777 188 P CB 0.108 31.192 31.700 -1.026 0.000 0.794 189 W N 1.414 122.729 121.300 0.024 0.000 2.704 189 W HA 0.084 4.743 4.660 -0.001 0.000 0.266 189 W C 1.217 177.763 176.519 0.045 0.000 1.266 189 W CA -0.387 56.962 57.345 0.007 0.000 1.377 189 W CB -0.024 29.448 29.460 0.020 0.000 1.082 189 W HN -0.035 nan 8.180 nan 0.000 0.608 190 E N 1.652 122.026 120.200 0.290 0.000 2.319 190 E HA 0.356 4.706 4.350 -0.001 0.000 0.268 190 E C -0.636 176.129 176.600 0.276 0.000 1.050 190 E CA -0.763 55.813 56.400 0.294 0.000 0.878 190 E CB 1.392 31.278 29.700 0.310 0.000 1.066 190 E HN -0.325 nan 8.360 nan 0.000 0.406 191 K N 1.498 122.084 120.400 0.310 0.000 2.502 191 K HA 0.430 4.750 4.320 -0.001 0.000 0.254 191 K C -1.259 175.355 176.600 0.024 0.000 0.947 191 K CA -0.482 55.919 56.287 0.191 0.000 0.834 191 K CB 1.603 34.241 32.500 0.230 0.000 1.112 191 K HN 0.663 nan 8.250 nan 0.000 0.427 192 A N 4.535 127.269 122.820 -0.144 0.000 2.477 192 A HA 0.335 4.655 4.320 -0.001 0.000 0.246 192 A C -0.268 177.098 177.584 -0.363 0.000 1.078 192 A CA -0.195 51.516 52.037 -0.545 0.000 0.770 192 A CB 0.208 18.866 19.000 -0.571 0.000 1.011 192 A HN 0.746 nan 8.150 nan 0.000 0.494 193 R N 3.502 123.770 120.500 -0.387 0.000 3.026 193 R HA 0.174 4.514 4.340 -0.001 0.000 0.317 193 R C -2.297 173.808 176.300 -0.325 0.000 1.278 193 R CA -1.365 54.536 56.100 -0.332 0.000 1.407 193 R CB 0.781 31.020 30.300 -0.103 0.000 1.368 193 R HN 0.573 nan 8.270 nan 0.000 0.612 194 P HA -0.168 nan 4.420 nan 0.000 0.219 194 P C 0.254 177.458 177.300 -0.160 0.000 1.146 194 P CA 1.308 64.301 63.100 -0.178 0.000 0.808 194 P CB 0.416 32.025 31.700 -0.151 0.000 0.779 195 E N -0.915 119.085 120.200 -0.333 0.000 2.409 195 E HA -0.088 4.261 4.350 -0.001 0.000 0.198 195 E C 0.776 177.284 176.600 -0.154 0.000 1.024 195 E CA 0.817 57.016 56.400 -0.334 0.000 0.861 195 E CB -0.944 28.420 29.700 -0.561 0.000 0.788 195 E HN 0.322 nan 8.360 nan 0.000 0.521 196 F N 0.805 120.765 119.950 0.017 0.000 2.647 196 F HA 0.267 4.794 4.527 -0.001 0.000 0.300 196 F C 0.291 176.182 175.800 0.151 0.000 1.106 196 F CA -1.029 57.009 58.000 0.063 0.000 1.313 196 F CB -0.732 38.292 39.000 0.040 0.000 1.007 196 F HN -0.289 nan 8.300 nan 0.000 0.536 197 T N 2.872 117.574 114.554 0.246 0.000 2.946 197 T HA 0.286 4.636 4.350 -0.001 0.000 0.311 197 T C -0.238 174.565 174.700 0.173 0.000 1.063 197 T CA 0.426 62.664 62.100 0.230 0.000 1.139 197 T CB 0.734 69.687 68.868 0.142 0.000 0.994 197 T HN -0.156 nan 8.240 nan 0.000 0.547 198 L N 4.794 126.084 121.223 0.112 0.000 2.422 198 L HA 0.516 4.855 4.340 -0.001 0.000 0.264 198 L C -2.353 174.470 176.870 -0.079 0.000 0.984 198 L CA -2.514 52.320 54.840 -0.010 0.000 0.819 198 L CB 2.196 44.175 42.059 -0.133 0.000 1.330 198 L HN 0.383 nan 8.230 nan 0.000 0.410 199 P HA 0.365 nan 4.420 nan 0.000 0.286 199 P C -1.045 176.108 177.300 -0.245 0.000 1.269 199 P CA -0.319 62.684 63.100 -0.161 0.000 0.787 199 P CB 1.615 33.225 31.700 -0.151 0.000 0.920 200 V N 4.417 124.158 119.914 -0.288 0.000 2.628 200 V HA 0.366 4.486 4.120 -0.001 0.000 0.306 200 V C 0.220 176.047 176.094 -0.445 0.000 1.045 200 V CA -0.612 61.508 62.300 -0.300 0.000 0.905 200 V CB 1.543 33.228 31.823 -0.231 0.000 0.997 200 V HN 0.602 nan 8.190 nan 0.000 0.436 201 H N 3.304 122.180 119.070 -0.324 0.000 2.492 201 H HA 0.614 5.170 4.556 -0.001 0.000 0.345 201 H C -1.368 173.624 175.328 -0.560 0.000 1.136 201 H CA -0.192 55.583 56.048 -0.454 0.000 1.202 201 H CB 1.985 31.244 29.762 -0.837 0.000 1.524 201 H HN 0.463 nan 8.280 nan 0.000 0.506 202 F N 0.373 120.368 119.950 0.075 0.000 2.620 202 F HA 0.239 4.766 4.527 -0.001 0.000 0.320 202 F C -0.130 175.778 175.800 0.179 0.000 1.069 202 F CA -0.527 57.527 58.000 0.089 0.000 0.953 202 F CB 0.861 39.800 39.000 -0.102 0.000 1.322 202 F HN 0.552 nan 8.300 nan 0.000 0.479 203 Y N 0.054 120.650 120.300 0.493 0.000 2.896 203 Y HA -0.002 4.548 4.550 -0.001 0.000 0.466 203 Y C 1.415 177.564 175.900 0.414 0.000 1.197 203 Y CA 0.726 59.034 58.100 0.346 0.000 2.513 203 Y CB -1.900 36.694 38.460 0.222 0.000 1.232 203 Y HN 1.297 nan 8.280 nan 0.000 0.632 204 G N 0.839 109.912 108.800 0.455 0.000 2.601 204 G HA2 0.090 4.050 3.960 -0.001 0.000 0.252 204 G HA3 0.090 4.050 3.960 -0.001 0.000 0.252 204 G C -0.401 174.728 174.900 0.381 0.000 1.294 204 G CA 1.348 46.645 45.100 0.329 0.000 0.912 204 G HN 1.412 nan 8.290 nan 0.000 0.574 205 R N -2.894 117.834 120.500 0.379 0.000 2.741 205 R HA 0.650 4.990 4.340 -0.001 0.000 0.274 205 R C -1.483 174.972 176.300 0.259 0.000 1.029 205 R CA -0.859 55.404 56.100 0.272 0.000 0.880 205 R CB 0.995 31.396 30.300 0.168 0.000 1.264 205 R HN 0.964 nan 8.270 nan 0.000 0.465 206 V N 1.013 120.994 119.914 0.111 0.000 2.394 206 V HA 0.326 4.446 4.120 -0.001 0.000 0.282 206 V C -0.251 175.824 176.094 -0.032 0.000 1.031 206 V CA -0.545 61.750 62.300 -0.009 0.000 0.881 206 V CB 1.278 33.012 31.823 -0.148 0.000 0.982 206 V HN 0.670 nan 8.190 nan 0.000 0.451 207 E N 2.721 122.881 120.200 -0.066 0.000 2.109 207 E HA 0.374 4.724 4.350 -0.001 0.000 0.278 207 E C -1.081 175.438 176.600 -0.136 0.000 0.954 207 E CA -0.539 55.837 56.400 -0.040 0.000 0.779 207 E CB 0.787 30.488 29.700 0.002 0.000 1.093 207 E HN 0.716 nan 8.360 nan 0.000 0.401 208 H N 1.906 120.990 119.070 0.023 0.000 2.741 208 H HA 0.155 4.710 4.556 -0.001 0.000 0.282 208 H C 0.606 175.941 175.328 0.012 0.000 1.122 208 H CA -0.022 56.034 56.048 0.014 0.000 1.293 208 H CB 0.712 30.477 29.762 0.004 0.000 1.415 208 H HN 0.580 nan 8.280 nan 0.000 0.472 209 T N -1.322 113.289 114.554 0.094 0.000 1.812 209 T HA 0.200 4.550 4.350 -0.001 0.000 0.173 209 T C 1.262 175.993 174.700 0.052 0.000 0.710 209 T CA 0.239 62.377 62.100 0.062 0.000 1.065 209 T CB 0.182 69.073 68.868 0.037 0.000 3.214 209 T HN 0.361 nan 8.240 nan 0.000 0.403 210 S N 0.936 116.657 115.700 0.035 0.000 2.620 210 S HA 0.149 4.619 4.470 -0.001 0.000 0.234 210 S C 1.299 175.915 174.600 0.027 0.000 1.064 210 S CA -0.184 58.032 58.200 0.028 0.000 0.920 210 S CB -0.117 63.096 63.200 0.022 0.000 0.826 210 S HN 0.526 nan 8.310 nan 0.000 0.557 211 Q N 2.091 121.904 119.800 0.022 0.000 2.414 211 Q HA 0.426 4.766 4.340 -0.001 0.000 0.286 211 Q C 1.003 177.017 176.000 0.023 0.000 0.941 211 Q CA 0.344 56.160 55.803 0.021 0.000 0.951 211 Q CB -0.571 28.176 28.738 0.014 0.000 1.188 211 Q HN 0.578 nan 8.270 nan 0.000 0.418 212 G N 0.962 109.784 108.800 0.036 0.000 2.512 212 G HA2 -0.190 3.769 3.960 -0.001 0.000 0.240 212 G HA3 -0.190 3.769 3.960 -0.001 0.000 0.240 212 G C -0.378 174.539 174.900 0.028 0.000 1.246 212 G CA -0.443 44.688 45.100 0.051 0.000 0.919 212 G HN 0.649 nan 8.290 nan 0.000 0.577 213 A N -0.101 122.713 122.820 -0.009 0.000 2.287 213 A HA 0.737 5.056 4.320 -0.001 0.000 0.273 213 A C 0.392 177.912 177.584 -0.108 0.000 1.091 213 A CA 0.554 52.486 52.037 -0.175 0.000 0.817 213 A CB 1.008 19.825 19.000 -0.304 0.000 1.069 213 A HN 0.847 nan 8.150 nan 0.000 0.492 214 K N 0.516 120.845 120.400 -0.119 0.000 2.581 214 K HA 0.158 4.478 4.320 -0.001 0.000 0.249 214 K C -2.250 174.380 176.600 0.050 0.000 0.966 214 K CA -0.271 56.001 56.287 -0.024 0.000 0.811 214 K CB 1.596 34.084 32.500 -0.020 0.000 1.223 214 K HN 0.750 nan 8.250 nan 0.000 0.438 215 W N 5.697 126.913 121.300 -0.141 0.000 2.331 215 W HA 0.423 5.083 4.660 -0.001 0.000 0.306 215 W C -0.601 175.857 176.519 -0.100 0.000 1.162 215 W CA -0.752 56.520 57.345 -0.122 0.000 1.232 215 W CB 0.232 29.610 29.460 -0.137 0.000 1.235 215 W HN 0.234 nan 8.180 nan 0.000 0.479 216 V N 2.897 122.864 119.914 0.088 0.000 3.160 216 V HA 0.608 4.727 4.120 -0.001 0.000 0.310 216 V C -0.393 175.686 176.094 -0.025 0.000 1.181 216 V CA -0.980 61.296 62.300 -0.040 0.000 1.047 216 V CB 2.097 33.926 31.823 0.010 0.000 1.068 216 V HN 0.523 nan 8.190 nan 0.000 0.441 217 D N 0.052 120.434 120.400 -0.029 0.000 2.870 217 D HA -0.139 4.500 4.640 -0.001 0.000 0.228 217 D C 0.571 176.885 176.300 0.024 0.000 1.147 217 D CA 1.553 55.562 54.000 0.016 0.000 0.757 217 D CB -1.823 39.010 40.800 0.055 0.000 1.091 217 D HN 1.375 nan 8.370 nan 0.000 0.429 218 T N -2.598 111.916 114.554 -0.066 0.000 2.868 218 T HA 0.422 4.771 4.350 -0.001 0.000 0.292 218 T C 0.482 175.226 174.700 0.074 0.000 1.028 218 T CA -0.606 61.464 62.100 -0.049 0.000 1.059 218 T CB 1.620 70.298 68.868 -0.316 0.000 0.991 218 T HN 0.054 nan 8.240 nan 0.000 0.531 219 Q N 0.825 120.729 119.800 0.173 0.000 2.274 219 Q HA 0.521 4.860 4.340 -0.001 0.000 0.256 219 Q C -0.742 175.334 176.000 0.126 0.000 0.927 219 Q CA -0.817 55.091 55.803 0.174 0.000 0.939 219 Q CB 1.696 30.597 28.738 0.271 0.000 1.201 219 Q HN 0.515 nan 8.270 nan 0.000 0.426 220 V N 3.412 123.336 119.914 0.017 0.000 2.546 220 V HA 0.275 4.395 4.120 -0.001 0.000 0.284 220 V C -0.165 175.961 176.094 0.054 0.000 1.050 220 V CA -0.492 61.741 62.300 -0.111 0.000 0.981 220 V CB 1.483 33.188 31.823 -0.196 0.000 0.990 220 V HN 0.492 nan 8.190 nan 0.000 0.474 221 V N 6.224 126.207 119.914 0.116 0.000 2.487 221 V HA 0.432 4.551 4.120 -0.001 0.000 0.298 221 V C -0.070 176.134 176.094 0.184 0.000 1.028 221 V CA -0.620 61.803 62.300 0.206 0.000 0.860 221 V CB 1.687 33.734 31.823 0.374 0.000 0.991 221 V HN 0.631 nan 8.190 nan 0.000 0.427 222 L N 3.769 125.092 121.223 0.165 0.000 2.397 222 L HA 0.641 4.981 4.340 -0.001 0.000 0.271 222 L C 0.605 177.669 176.870 0.324 0.000 1.148 222 L CA -0.074 54.862 54.840 0.160 0.000 0.825 222 L CB 0.976 43.110 42.059 0.125 0.000 1.117 222 L HN 0.767 nan 8.230 nan 0.000 0.456 223 A N 5.343 128.279 122.820 0.193 0.000 2.267 223 A HA 0.558 4.877 4.320 -0.001 0.000 0.315 223 A C -0.452 177.401 177.584 0.448 0.000 1.297 223 A CA -0.482 51.681 52.037 0.210 0.000 0.865 223 A CB 0.875 19.531 19.000 -0.573 0.000 1.165 223 A HN 0.778 nan 8.150 nan 0.000 0.513 224 M N 6.086 126.020 119.600 0.557 0.000 2.088 224 M HA 0.410 4.889 4.480 -0.001 0.000 0.346 224 M C -2.579 173.992 176.300 0.453 0.000 1.111 224 M CA -2.189 53.372 55.300 0.434 0.000 1.017 224 M CB 1.729 34.518 32.600 0.316 0.000 1.568 224 M HN 0.332 nan 8.290 nan 0.000 0.445 225 P HA 0.208 nan 4.420 nan 0.000 0.279 225 P C -1.890 175.346 177.300 -0.105 0.000 1.239 225 P CA 0.083 63.065 63.100 -0.197 0.000 0.789 225 P CB 0.418 31.816 31.700 -0.504 0.000 0.933 226 Y N 0.724 120.945 120.300 -0.131 0.000 2.331 226 Y HA 0.320 4.870 4.550 -0.001 0.000 0.334 226 Y C 0.209 176.084 175.900 -0.042 0.000 0.960 226 Y CA -0.331 57.750 58.100 -0.031 0.000 1.130 226 Y CB 1.300 39.779 38.460 0.030 0.000 1.164 226 Y HN 0.220 nan 8.280 nan 0.000 0.458 227 D N 2.064 122.567 120.400 0.171 0.000 2.233 227 D HA 0.366 5.005 4.640 -0.001 0.000 0.240 227 D C -0.556 175.984 176.300 0.399 0.000 1.074 227 D CA -0.187 53.963 54.000 0.251 0.000 0.838 227 D CB 1.658 42.635 40.800 0.294 0.000 1.124 227 D HN 0.376 nan 8.370 nan 0.000 0.475 228 T N 3.229 117.914 114.554 0.218 0.000 2.823 228 T HA 0.476 4.826 4.350 -0.001 0.000 0.279 228 T C -2.495 172.045 174.700 -0.266 0.000 0.998 228 T CA -1.604 60.519 62.100 0.039 0.000 0.994 228 T CB 1.861 70.750 68.868 0.035 0.000 0.960 228 T HN 0.131 nan 8.240 nan 0.000 0.448 229 P HA 0.247 nan 4.420 nan 0.000 0.271 229 P C -0.921 176.068 177.300 -0.518 0.000 1.216 229 P CA -0.320 62.124 63.100 -1.093 0.000 0.771 229 P CB 0.526 31.484 31.700 -1.237 0.000 0.864 230 V N 5.855 125.521 119.914 -0.414 0.000 2.266 230 V HA 0.257 4.376 4.120 -0.001 0.000 0.271 230 V C -2.028 173.951 176.094 -0.192 0.000 1.032 230 V CA -1.900 60.254 62.300 -0.243 0.000 0.806 230 V CB 1.145 32.870 31.823 -0.164 0.000 1.052 230 V HN 0.524 nan 8.190 nan 0.000 0.449 231 P HA 0.280 nan 4.420 nan 0.000 0.281 231 P C 0.346 177.607 177.300 -0.065 0.000 1.252 231 P CA 0.318 63.343 63.100 -0.126 0.000 0.778 231 P CB 1.622 33.241 31.700 -0.136 0.000 0.895 232 G N 2.456 111.234 108.800 -0.037 0.000 2.537 232 G HA2 0.178 4.138 3.960 -0.001 0.000 0.273 232 G HA3 0.178 4.138 3.960 -0.001 0.000 0.273 232 G C -1.223 173.696 174.900 0.031 0.000 1.189 232 G CA -0.435 44.671 45.100 0.010 0.000 0.881 232 G HN 0.463 nan 8.290 nan 0.000 0.535 233 Y N 0.680 120.949 120.300 -0.052 0.000 2.585 233 Y HA 0.300 4.850 4.550 -0.001 0.000 0.354 233 Y C 1.258 177.126 175.900 -0.055 0.000 1.024 233 Y CA -0.478 57.586 58.100 -0.061 0.000 1.321 233 Y CB -0.014 38.408 38.460 -0.064 0.000 1.151 233 Y HN 0.741 nan 8.280 nan 0.000 0.525 234 R N 2.348 122.548 120.500 -0.499 0.000 3.758 234 R HA -0.266 4.074 4.340 -0.001 0.000 0.299 234 R C 0.113 176.275 176.300 -0.229 0.000 1.182 234 R CA 1.222 57.046 56.100 -0.461 0.000 0.809 234 R CB -1.748 28.079 30.300 -0.788 0.000 1.249 234 R HN 0.815 nan 8.270 nan 0.000 0.497 235 N N -0.693 117.925 118.700 -0.136 0.000 2.177 235 N HA 0.063 4.803 4.740 -0.001 0.000 0.218 235 N C -0.191 175.277 175.510 -0.069 0.000 1.182 235 N CA -0.003 53.000 53.050 -0.077 0.000 0.882 235 N CB 0.286 38.754 38.487 -0.032 0.000 1.052 235 N HN 0.187 nan 8.380 nan 0.000 0.519 236 N N -0.744 117.910 118.700 -0.076 0.000 2.753 236 N HA -0.134 4.606 4.740 -0.001 0.000 0.251 236 N C -1.100 174.379 175.510 -0.053 0.000 1.097 236 N CA 0.618 53.632 53.050 -0.061 0.000 0.786 236 N CB -1.659 36.790 38.487 -0.064 0.000 1.137 236 N HN 0.231 nan 8.380 nan 0.000 0.566 237 V N 0.929 120.818 119.914 -0.042 0.000 2.481 237 V HA 0.519 4.639 4.120 -0.001 0.000 0.286 237 V C 0.563 176.645 176.094 -0.021 0.000 1.042 237 V CA -0.541 61.745 62.300 -0.023 0.000 0.928 237 V CB 2.240 34.072 31.823 0.017 0.000 0.986 237 V HN -0.041 nan 8.190 nan 0.000 0.462 238 V N 4.908 124.822 119.914 0.000 0.000 2.462 238 V HA 0.443 4.563 4.120 -0.001 0.000 0.288 238 V C -0.194 175.932 176.094 0.053 0.000 1.020 238 V CA -0.830 61.446 62.300 -0.041 0.000 0.857 238 V CB 1.503 33.271 31.823 -0.091 0.000 1.013 238 V HN 0.844 nan 8.190 nan 0.000 0.431 239 N N 1.839 120.533 118.700 -0.009 0.000 2.476 239 N HA 0.605 5.345 4.740 -0.001 0.000 0.287 239 N C -0.101 175.430 175.510 0.036 0.000 1.262 239 N CA -0.319 52.746 53.050 0.026 0.000 0.980 239 N CB 1.164 39.610 38.487 -0.069 0.000 1.163 239 N HN 0.609 nan 8.380 nan 0.000 0.592 240 T N 0.747 115.312 114.554 0.019 0.000 2.848 240 T HA 0.369 4.718 4.350 -0.001 0.000 0.285 240 T C -0.330 174.343 174.700 -0.045 0.000 0.995 240 T CA -0.494 61.690 62.100 0.140 0.000 0.970 240 T CB 0.973 70.037 68.868 0.327 0.000 0.976 240 T HN 0.299 nan 8.240 nan 0.000 0.441 241 M N 3.927 123.467 119.600 -0.099 0.000 2.061 241 M HA 0.465 4.945 4.480 -0.001 0.000 0.346 241 M C -0.265 175.893 176.300 -0.237 0.000 1.112 241 M CA -0.697 54.452 55.300 -0.252 0.000 1.021 241 M CB 0.433 32.830 32.600 -0.339 0.000 1.530 241 M HN 0.460 nan 8.290 nan 0.000 0.437 242 R N 5.905 126.153 120.500 -0.421 0.000 2.229 242 R HA 0.557 4.896 4.340 -0.001 0.000 0.332 242 R C -1.818 174.196 176.300 -0.476 0.000 0.989 242 R CA -0.369 55.416 56.100 -0.525 0.000 0.842 242 R CB 0.698 30.456 30.300 -0.903 0.000 1.119 242 R HN 0.806 nan 8.270 nan 0.000 0.456 243 L N 5.465 126.518 121.223 -0.282 0.000 2.313 243 L HA 0.457 4.797 4.340 -0.001 0.000 0.283 243 L C -0.817 176.030 176.870 -0.038 0.000 1.013 243 L CA -0.867 53.914 54.840 -0.098 0.000 0.816 243 L CB 1.350 43.429 42.059 0.034 0.000 1.236 243 L HN 0.592 nan 8.230 nan 0.000 0.419 244 W N 2.120 123.544 121.300 0.207 0.000 2.365 244 W HA 0.413 5.073 4.660 -0.001 0.000 0.316 244 W C 0.575 177.333 176.519 0.399 0.000 1.164 244 W CA -0.216 57.280 57.345 0.252 0.000 1.204 244 W CB 1.455 30.932 29.460 0.028 0.000 1.213 244 W HN 0.345 nan 8.180 nan 0.000 0.539 245 S N 2.126 118.236 115.700 0.685 0.000 2.454 245 S HA 0.715 5.184 4.470 -0.001 0.000 0.306 245 S C -0.209 174.741 174.600 0.583 0.000 1.100 245 S CA -0.716 57.795 58.200 0.519 0.000 1.087 245 S CB 0.436 63.879 63.200 0.404 0.000 1.019 245 S HN 0.516 nan 8.310 nan 0.000 0.480 246 A N 4.821 127.828 122.820 0.312 0.000 2.450 246 A HA 0.507 4.826 4.320 -0.001 0.000 0.255 246 A C 0.156 177.834 177.584 0.157 0.000 1.096 246 A CA -0.073 52.044 52.037 0.133 0.000 0.778 246 A CB 0.262 19.052 19.000 -0.350 0.000 1.031 246 A HN 0.729 nan 8.150 nan 0.000 0.494 247 K N 1.678 122.192 120.400 0.190 0.000 2.464 247 K HA 0.607 4.926 4.320 -0.001 0.000 0.253 247 K C -0.481 176.184 176.600 0.108 0.000 0.933 247 K CA -0.548 55.822 56.287 0.139 0.000 0.801 247 K CB 2.107 34.702 32.500 0.158 0.000 1.271 247 K HN 0.864 nan 8.250 nan 0.000 0.430 248 A N 4.425 127.289 122.820 0.073 0.000 2.425 248 A HA 0.371 4.691 4.320 -0.001 0.000 0.249 248 A C -2.156 175.462 177.584 0.056 0.000 1.084 248 A CA -0.950 51.121 52.037 0.058 0.000 0.781 248 A CB -0.260 18.763 19.000 0.038 0.000 1.019 248 A HN 0.481 nan 8.150 nan 0.000 0.490 249 P HA 0.190 nan 4.420 nan 0.000 0.274 249 P C -0.652 176.669 177.300 0.035 0.000 1.256 249 P CA -0.399 62.723 63.100 0.038 0.000 0.795 249 P CB 0.644 32.359 31.700 0.025 0.000 1.038 261 G N -1.022 107.800 108.800 0.036 0.000 2.707 261 G HA2 0.087 4.046 3.960 -0.001 0.000 0.686 261 G HA3 0.087 4.046 3.960 -0.001 0.000 0.686 261 G C 0.291 175.244 174.900 0.089 0.000 1.315 261 G CA 0.216 45.358 45.100 0.069 0.000 0.832 261 G HN 1.371 nan 8.290 nan 0.000 0.573 262 Y N 0.693 120.996 120.300 0.004 0.000 2.069 262 Y HA -0.211 4.338 4.550 -0.001 0.000 0.278 262 Y C 2.839 178.743 175.900 0.006 0.000 1.175 262 Y CA 2.744 60.847 58.100 0.005 0.000 1.134 262 Y CB -0.149 38.313 38.460 0.005 0.000 0.965 262 Y HN 0.468 nan 8.280 nan 0.000 0.498 263 I N 0.086 120.577 120.570 -0.130 0.000 2.179 263 I HA -0.276 3.893 4.170 -0.001 0.000 0.242 263 I C 2.369 178.374 176.117 -0.187 0.000 1.088 263 I CA 1.777 62.939 61.300 -0.230 0.000 1.357 263 I CB -1.425 36.547 38.000 -0.046 0.000 1.051 263 I HN 0.305 nan 8.210 nan 0.000 0.409 264 Q N 1.232 120.978 119.800 -0.091 0.000 2.124 264 Q HA -0.082 4.257 4.340 -0.001 0.000 0.202 264 Q C 2.228 178.181 176.000 -0.077 0.000 0.977 264 Q CA 2.103 57.868 55.803 -0.064 0.000 0.850 264 Q CB -0.350 28.371 28.738 -0.028 0.000 0.901 264 Q HN 0.464 nan 8.270 nan 0.000 0.429 265 A N -0.734 122.033 122.820 -0.087 0.000 1.902 265 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 265 A C 2.244 179.761 177.584 -0.113 0.000 1.181 265 A CA 1.736 53.729 52.037 -0.075 0.000 0.623 265 A CB -0.807 18.167 19.000 -0.043 0.000 0.818 265 A HN 0.263 nan 8.150 nan 0.000 0.443 266 V N 0.187 119.969 119.914 -0.220 0.000 2.358 266 V HA -0.224 3.895 4.120 -0.001 0.000 0.246 266 V C 2.528 178.547 176.094 -0.125 0.000 1.047 266 V CA 1.807 63.979 62.300 -0.214 0.000 1.035 266 V CB -0.766 30.834 31.823 -0.372 0.000 0.658 266 V HN 0.560 nan 8.190 nan 0.000 0.452 267 L N -0.290 120.863 121.223 -0.116 0.000 2.093 267 L HA -0.143 4.197 4.340 -0.001 0.000 0.208 267 L C 2.145 178.990 176.870 -0.042 0.000 1.085 267 L CA 1.326 56.126 54.840 -0.066 0.000 0.755 267 L CB -0.759 41.266 42.059 -0.058 0.000 0.904 267 L HN 0.303 nan 8.230 nan 0.000 0.435 268 D N 0.201 120.576 120.400 -0.042 0.000 2.384 268 D HA -0.111 4.529 4.640 -0.001 0.000 0.222 268 D C 2.171 178.463 176.300 -0.014 0.000 0.976 268 D CA 0.591 54.577 54.000 -0.024 0.000 0.915 268 D CB -0.058 40.728 40.800 -0.022 0.000 0.896 268 D HN 0.222 nan 8.370 nan 0.000 0.523 269 R N 0.344 120.833 120.500 -0.018 0.000 2.159 269 R HA -0.074 4.266 4.340 -0.001 0.000 0.237 269 R C 1.603 177.906 176.300 0.004 0.000 1.131 269 R CA 0.653 56.750 56.100 -0.004 0.000 0.982 269 R CB -0.068 30.228 30.300 -0.006 0.000 0.868 269 R HN 0.137 nan 8.270 nan 0.000 0.453 270 N N 0.413 119.113 118.700 0.001 0.000 2.272 270 N HA -0.150 4.590 4.740 -0.001 0.000 0.185 270 N C 1.393 176.907 175.510 0.007 0.000 1.014 270 N CA 0.978 54.033 53.050 0.009 0.000 0.870 270 N CB -0.100 38.392 38.487 0.008 0.000 0.975 270 N HN 0.083 nan 8.380 nan 0.000 0.433 271 L N 0.969 122.193 121.223 0.002 0.000 2.005 271 L HA -0.001 4.339 4.340 -0.001 0.000 0.207 271 L C 2.337 179.199 176.870 -0.014 0.000 1.072 271 L CA 1.333 56.172 54.840 -0.001 0.000 0.744 271 L CB -1.479 40.580 42.059 0.000 0.000 0.895 271 L HN 0.097 nan 8.230 nan 0.000 0.433 272 A N -0.896 121.918 122.820 -0.010 0.000 1.933 272 A HA -0.198 4.122 4.320 -0.001 0.000 0.218 272 A C 2.136 179.692 177.584 -0.046 0.000 1.175 272 A CA 1.495 53.517 52.037 -0.026 0.000 0.628 272 A CB -0.496 18.513 19.000 0.015 0.000 0.814 272 A HN 0.537 nan 8.150 nan 0.000 0.444 273 E N 0.046 120.237 120.200 -0.014 0.000 2.347 273 E HA -0.105 4.245 4.350 -0.001 0.000 0.196 273 E C 1.060 177.654 176.600 -0.011 0.000 1.008 273 E CA 0.454 56.850 56.400 -0.008 0.000 0.852 273 E CB -0.146 29.569 29.700 0.024 0.000 0.783 273 E HN 0.499 nan 8.360 nan 0.000 0.505 274 N N 0.883 119.579 118.700 -0.007 0.000 2.520 274 N HA -0.080 4.659 4.740 -0.001 0.000 0.185 274 N C 1.623 177.133 175.510 -0.001 0.000 1.068 274 N CA 0.581 53.642 53.050 0.017 0.000 0.911 274 N CB -0.003 38.496 38.487 0.019 0.000 0.961 274 N HN 0.270 nan 8.380 nan 0.000 0.446 275 I N 0.611 121.126 120.570 -0.091 0.000 2.163 275 I HA -0.255 3.915 4.170 -0.001 0.000 0.243 275 I C 1.659 177.727 176.117 -0.082 0.000 1.085 275 I CA 1.286 62.493 61.300 -0.156 0.000 1.347 275 I CB -0.269 37.493 38.000 -0.397 0.000 1.044 275 I HN 0.131 nan 8.210 nan 0.000 0.408 276 S N -0.127 115.511 115.700 -0.102 0.000 2.660 276 S HA 0.107 4.576 4.470 -0.001 0.000 0.227 276 S C 1.566 176.292 174.600 0.210 0.000 0.948 276 S CA -0.323 57.915 58.200 0.063 0.000 0.948 276 S CB 0.080 63.304 63.200 0.039 0.000 0.779 276 S HN 0.222 nan 8.310 nan 0.000 0.487 277 R N 1.237 121.861 120.500 0.206 0.000 2.062 277 R HA 0.265 4.605 4.340 -0.001 0.000 0.229 277 R C 0.413 176.946 176.300 0.388 0.000 1.128 277 R CA 1.178 57.437 56.100 0.265 0.000 0.960 277 R CB -0.271 30.169 30.300 0.235 0.000 0.855 277 R HN 0.403 nan 8.270 nan 0.000 0.432 278 V N 0.611 120.703 119.914 0.297 0.000 2.777 278 V HA 0.341 4.460 4.120 -0.001 0.000 0.306 278 V C -1.492 174.464 176.094 -0.229 0.000 1.112 278 V CA -1.426 60.959 62.300 0.142 0.000 0.917 278 V CB 1.666 33.538 31.823 0.082 0.000 1.018 278 V HN 0.162 nan 8.190 nan 0.000 0.426 279 L N 7.397 128.230 121.223 -0.649 0.000 2.534 279 L HA 0.324 4.664 4.340 -0.001 0.000 0.271 279 L C -0.686 175.968 176.870 -0.361 0.000 1.178 279 L CA 0.636 54.897 54.840 -0.965 0.000 0.907 279 L CB -0.080 41.461 42.059 -0.864 0.000 1.164 279 L HN 0.686 nan 8.230 nan 0.000 0.482 280 Y N 7.525 127.713 120.300 -0.186 0.000 2.677 280 Y HA 0.140 4.690 4.550 -0.001 0.000 0.335 280 Y C -1.214 174.680 175.900 -0.010 0.000 1.162 280 Y CA -1.008 57.071 58.100 -0.035 0.000 1.483 280 Y CB 0.276 38.748 38.460 0.020 0.000 1.209 280 Y HN 0.602 nan 8.280 nan 0.000 0.528 281 P HA -0.010 nan 4.420 nan 0.000 0.255 281 P C -0.942 176.499 177.300 0.235 0.000 1.357 281 P CA 0.149 63.372 63.100 0.205 0.000 0.839 281 P CB -0.106 31.804 31.700 0.351 0.000 1.356 282 N N 1.266 120.112 118.700 0.243 0.000 2.402 282 N HA 0.118 4.858 4.740 -0.001 0.000 0.252 282 N C -0.320 175.336 175.510 0.244 0.000 1.118 282 N CA -0.057 53.148 53.050 0.258 0.000 0.945 282 N CB 0.081 38.732 38.487 0.273 0.000 1.147 282 N HN 0.021 nan 8.380 nan 0.000 0.495 283 D N 1.503 122.078 120.400 0.292 0.000 2.264 283 D HA 0.131 4.771 4.640 -0.001 0.000 0.250 283 D C -0.095 176.425 176.300 0.366 0.000 1.113 283 D CA -0.272 53.920 54.000 0.320 0.000 0.871 283 D CB 0.347 41.407 40.800 0.434 0.000 1.167 283 D HN 0.423 nan 8.370 nan 0.000 0.447 284 N N 2.552 121.403 118.700 0.251 0.000 2.701 284 N HA -0.284 4.455 4.740 -0.001 0.000 0.252 284 N C -1.013 174.676 175.510 0.299 0.000 1.002 284 N CA 0.504 53.673 53.050 0.197 0.000 0.758 284 N CB -0.918 37.606 38.487 0.062 0.000 0.937 284 N HN 0.312 nan 8.380 nan 0.000 0.538 285 F N 0.534 120.557 119.950 0.121 0.000 2.596 285 F HA 0.485 5.011 4.527 -0.001 0.000 0.311 285 F C -1.162 174.699 175.800 0.101 0.000 1.116 285 F CA -1.258 56.788 58.000 0.076 0.000 0.957 285 F CB 1.079 40.082 39.000 0.005 0.000 1.250 285 F HN -0.062 nan 8.300 nan 0.000 0.444 286 F N 6.079 125.514 119.950 -0.858 0.000 2.410 286 F HA 0.374 4.900 4.527 -0.001 0.000 0.349 286 F C 0.750 176.110 175.800 -0.732 0.000 1.117 286 F CA -0.175 57.436 58.000 -0.649 0.000 1.104 286 F CB 1.288 39.964 39.000 -0.540 0.000 1.122 286 F HN 0.751 nan 8.300 nan 0.000 0.483 287 E N 3.425 123.008 120.200 -1.028 0.000 2.434 287 E HA 0.191 4.541 4.350 -0.001 0.000 0.207 287 E C 1.354 177.414 176.600 -0.900 0.000 0.929 287 E CA 0.711 56.690 56.400 -0.701 0.000 1.001 287 E CB 0.179 29.747 29.700 -0.219 0.000 1.016 287 E HN 1.010 nan 8.360 nan 0.000 0.502 288 G N 2.519 110.470 108.800 -1.415 0.000 2.160 288 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.251 288 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.251 288 G C -0.135 174.749 174.900 -0.026 0.000 1.008 288 G CA 0.349 44.938 45.100 -0.852 0.000 0.724 288 G HN 0.018 nan 8.290 nan 0.000 0.514 289 K N 0.660 121.040 120.400 -0.033 0.000 2.383 289 K HA 0.200 4.519 4.320 -0.001 0.000 0.286 289 K C 1.326 178.051 176.600 0.210 0.000 1.051 289 K CA -0.036 56.297 56.287 0.077 0.000 0.974 289 K CB 1.214 33.684 32.500 -0.049 0.000 0.968 289 K HN 0.581 nan 8.250 nan 0.000 0.475 290 E N 2.471 122.771 120.200 0.166 0.000 2.114 290 E HA -0.254 4.095 4.350 -0.001 0.000 0.199 290 E C 1.478 178.094 176.600 0.026 0.000 1.008 290 E CA 1.186 57.625 56.400 0.065 0.000 0.810 290 E CB 0.127 29.875 29.700 0.080 0.000 0.739 290 E HN 0.431 nan 8.360 nan 0.000 0.456 291 L N 1.409 122.694 121.223 0.104 0.000 2.079 291 L HA -0.186 4.154 4.340 -0.001 0.000 0.210 291 L C 2.417 179.398 176.870 0.187 0.000 1.081 291 L CA 1.671 56.597 54.840 0.144 0.000 0.752 291 L CB -0.569 41.647 42.059 0.261 0.000 0.896 291 L HN 0.053 nan 8.230 nan 0.000 0.433 292 R N -0.534 120.044 120.500 0.131 0.000 2.070 292 R HA -0.158 4.181 4.340 -0.001 0.000 0.233 292 R C 2.258 178.627 176.300 0.115 0.000 1.137 292 R CA 1.865 58.014 56.100 0.081 0.000 0.945 292 R CB -1.133 29.094 30.300 -0.122 0.000 0.845 292 R HN 0.410 nan 8.270 nan 0.000 0.430 293 L N 1.837 123.013 121.223 -0.077 0.000 2.042 293 L HA -0.188 4.152 4.340 -0.001 0.000 0.210 293 L C 2.020 178.843 176.870 -0.079 0.000 1.076 293 L CA 1.925 56.520 54.840 -0.408 0.000 0.749 293 L CB -0.456 41.006 42.059 -0.995 0.000 0.893 293 L HN 0.071 nan 8.230 nan 0.000 0.432 294 K N -1.025 119.363 120.400 -0.020 0.000 2.063 294 K HA -0.218 4.102 4.320 -0.001 0.000 0.208 294 K C 2.091 178.852 176.600 0.269 0.000 1.048 294 K CA 1.857 58.195 56.287 0.085 0.000 0.928 294 K CB -0.239 32.120 32.500 -0.235 0.000 0.713 294 K HN 0.513 nan 8.250 nan 0.000 0.442 295 Q N 0.600 120.530 119.800 0.217 0.000 2.096 295 Q HA -0.208 4.131 4.340 -0.001 0.000 0.204 295 Q C 1.939 178.145 176.000 0.343 0.000 0.982 295 Q CA 1.540 57.525 55.803 0.303 0.000 0.850 295 Q CB -0.016 28.930 28.738 0.346 0.000 0.901 295 Q HN 0.408 nan 8.270 nan 0.000 0.422 296 E N -0.387 119.976 120.200 0.272 0.000 2.072 296 E HA -0.189 4.161 4.350 -0.001 0.000 0.190 296 E C 1.723 178.448 176.600 0.209 0.000 0.982 296 E CA 0.862 57.405 56.400 0.239 0.000 0.803 296 E CB -0.129 29.699 29.700 0.212 0.000 0.755 296 E HN 0.311 nan 8.360 nan 0.000 0.453 297 Y N 0.644 121.005 120.300 0.101 0.000 2.200 297 Y HA -0.241 4.308 4.550 -0.001 0.000 0.290 297 Y C 1.986 177.932 175.900 0.078 0.000 1.137 297 Y CA 1.121 59.237 58.100 0.026 0.000 1.163 297 Y CB -0.452 37.991 38.460 -0.028 0.000 0.988 297 Y HN 0.012 nan 8.280 nan 0.000 0.518 298 F N -0.206 119.739 119.950 -0.009 0.000 2.043 298 F HA -0.310 4.217 4.527 -0.001 0.000 0.297 298 F C 2.562 178.220 175.800 -0.238 0.000 1.118 298 F CA 2.249 60.200 58.000 -0.082 0.000 1.202 298 F CB -1.144 37.951 39.000 0.158 0.000 0.965 298 F HN -0.029 nan 8.300 nan 0.000 0.482 299 V N -0.551 119.344 119.914 -0.031 0.000 2.358 299 V HA -0.189 3.931 4.120 -0.001 0.000 0.246 299 V C 2.184 178.176 176.094 -0.170 0.000 1.047 299 V CA 1.909 64.178 62.300 -0.051 0.000 1.035 299 V CB -0.401 31.572 31.823 0.252 0.000 0.658 299 V HN 0.256 nan 8.190 nan 0.000 0.452 300 V N 0.583 120.394 119.914 -0.171 0.000 2.295 300 V HA -0.191 3.929 4.120 -0.001 0.000 0.246 300 V C 2.839 178.708 176.094 -0.374 0.000 1.049 300 V CA 2.283 64.465 62.300 -0.197 0.000 1.024 300 V CB -1.109 30.656 31.823 -0.097 0.000 0.648 300 V HN 0.653 nan 8.190 nan 0.000 0.447 301 A N -0.405 122.024 122.820 -0.652 0.000 1.897 301 A HA -0.014 4.306 4.320 -0.001 0.000 0.215 301 A C 2.379 179.619 177.584 -0.573 0.000 1.181 301 A CA 1.867 53.518 52.037 -0.644 0.000 0.620 301 A CB -0.704 17.702 19.000 -0.990 0.000 0.821 301 A HN 0.550 nan 8.150 nan 0.000 0.443 302 A N -0.870 121.453 122.820 -0.829 0.000 1.873 302 A HA -0.059 4.261 4.320 -0.001 0.000 0.215 302 A C 2.301 179.445 177.584 -0.732 0.000 1.186 302 A CA 2.239 53.603 52.037 -1.122 0.000 0.616 302 A CB -1.339 16.339 19.000 -2.204 0.000 0.823 302 A HN 0.407 nan 8.150 nan 0.000 0.442 303 T N 0.391 114.663 114.554 -0.470 0.000 2.665 303 T HA -0.157 4.192 4.350 -0.001 0.000 0.268 303 T C 1.687 176.143 174.700 -0.406 0.000 1.035 303 T CA 1.749 63.691 62.100 -0.262 0.000 1.151 303 T CB -0.350 68.374 68.868 -0.240 0.000 0.862 303 T HN 0.210 nan 8.240 nan 0.000 0.438 304 L N 0.914 121.936 121.223 -0.334 0.000 2.201 304 L HA 0.008 4.347 4.340 -0.001 0.000 0.212 304 L C 2.590 179.347 176.870 -0.189 0.000 1.105 304 L CA 1.437 56.119 54.840 -0.264 0.000 0.775 304 L CB -0.739 41.206 42.059 -0.190 0.000 0.913 304 L HN 0.296 nan 8.230 nan 0.000 0.440 305 Q N -0.846 118.842 119.800 -0.187 0.000 2.079 305 Q HA -0.211 4.129 4.340 -0.001 0.000 0.200 305 Q C 1.771 177.739 176.000 -0.054 0.000 0.974 305 Q CA 1.511 57.248 55.803 -0.109 0.000 0.840 305 Q CB -0.082 28.578 28.738 -0.130 0.000 0.898 305 Q HN 0.409 nan 8.270 nan 0.000 0.430 306 D N 0.575 120.950 120.400 -0.042 0.000 2.104 306 D HA -0.150 4.490 4.640 -0.001 0.000 0.194 306 D C 1.700 177.952 176.300 -0.081 0.000 0.994 306 D CA 1.038 55.051 54.000 0.022 0.000 0.830 306 D CB -0.078 40.833 40.800 0.186 0.000 0.959 306 D HN 0.188 nan 8.370 nan 0.000 0.452 307 I N 0.217 120.627 120.570 -0.266 0.000 2.179 307 I HA -0.226 3.944 4.170 -0.001 0.000 0.242 307 I C 2.318 178.450 176.117 0.025 0.000 1.088 307 I CA 0.730 61.810 61.300 -0.367 0.000 1.357 307 I CB -0.157 37.445 38.000 -0.663 0.000 1.051 307 I HN 0.032 nan 8.210 nan 0.000 0.409 308 I N 0.219 120.854 120.570 0.108 0.000 2.179 308 I HA -0.294 3.875 4.170 -0.001 0.000 0.242 308 I C 2.831 179.111 176.117 0.271 0.000 1.088 308 I CA 1.245 62.724 61.300 0.297 0.000 1.357 308 I CB -0.465 37.644 38.000 0.182 0.000 1.051 308 I HN 0.210 nan 8.210 nan 0.000 0.409 309 R N 1.104 121.681 120.500 0.128 0.000 2.083 309 R HA -0.224 4.115 4.340 -0.001 0.000 0.237 309 R C 2.508 178.848 176.300 0.067 0.000 1.137 309 R CA 1.771 57.920 56.100 0.081 0.000 0.951 309 R CB -0.254 30.062 30.300 0.027 0.000 0.851 309 R HN 0.239 nan 8.270 nan 0.000 0.434 310 R N -0.508 120.031 120.500 0.065 0.000 2.115 310 R HA -0.152 4.188 4.340 -0.001 0.000 0.230 310 R C 2.158 178.521 176.300 0.106 0.000 1.111 310 R CA 1.394 57.520 56.100 0.043 0.000 0.976 310 R CB -0.349 29.969 30.300 0.031 0.000 0.870 310 R HN 0.250 nan 8.270 nan 0.000 0.445 311 F N 1.670 121.650 119.950 0.050 0.000 2.134 311 F HA -0.146 4.381 4.527 -0.001 0.000 0.299 311 F C 1.649 177.470 175.800 0.035 0.000 1.097 311 F CA 1.582 59.623 58.000 0.069 0.000 1.264 311 F CB 0.034 39.160 39.000 0.209 0.000 1.001 311 F HN -0.124 nan 8.300 nan 0.000 0.479 312 K N 0.224 120.573 120.400 -0.085 0.000 2.217 312 K HA 0.005 4.324 4.320 -0.001 0.000 0.202 312 K C 1.195 177.681 176.600 -0.189 0.000 1.051 312 K CA 0.675 56.831 56.287 -0.217 0.000 0.952 312 K CB -0.221 32.270 32.500 -0.015 0.000 0.736 312 K HN 0.186 nan 8.250 nan 0.000 0.453 326 F N 0.221 120.248 119.950 0.128 0.000 2.706 326 F HA 0.323 4.850 4.527 -0.001 0.000 0.313 326 F C 1.272 177.110 175.800 0.062 0.000 1.096 326 F CA -0.402 57.634 58.000 0.060 0.000 1.219 326 F CB 0.546 39.446 39.000 -0.166 0.000 1.051 326 F HN 0.471 nan 8.300 nan 0.000 0.568 327 D N 0.943 121.459 120.400 0.193 0.000 2.123 327 D HA -0.186 4.454 4.640 -0.001 0.000 0.196 327 D C 2.273 178.657 176.300 0.140 0.000 0.992 327 D CA 1.479 55.560 54.000 0.135 0.000 0.833 327 D CB -0.143 40.716 40.800 0.098 0.000 0.954 327 D HN 0.277 nan 8.370 nan 0.000 0.455 328 A N -0.150 122.779 122.820 0.182 0.000 2.206 328 A HA -0.048 4.272 4.320 -0.001 0.000 0.211 328 A C 1.791 179.492 177.584 0.194 0.000 1.158 328 A CA 0.038 52.189 52.037 0.190 0.000 0.761 328 A CB -0.761 18.375 19.000 0.226 0.000 0.801 328 A HN 0.158 nan 8.150 nan 0.000 0.473 329 F N 1.793 121.698 119.950 -0.075 0.000 2.095 329 F HA -0.075 4.452 4.527 -0.001 0.000 0.298 329 F C -0.868 174.836 175.800 -0.161 0.000 1.104 329 F CA 1.990 59.758 58.000 -0.386 0.000 1.232 329 F CB -0.707 38.031 39.000 -0.437 0.000 0.987 329 F HN 0.184 nan 8.300 nan 0.000 0.475 330 P HA -0.070 nan 4.420 nan 0.000 0.230 330 P C 0.656 177.919 177.300 -0.062 0.000 1.158 330 P CA 1.305 64.366 63.100 -0.064 0.000 0.769 330 P CB -0.055 31.636 31.700 -0.015 0.000 0.807 331 D N -0.749 119.639 120.400 -0.020 0.000 2.323 331 D HA -0.023 4.616 4.640 -0.001 0.000 0.209 331 D C 1.440 177.739 176.300 -0.001 0.000 0.973 331 D CA 0.845 54.846 54.000 0.002 0.000 0.874 331 D CB 0.132 40.950 40.800 0.031 0.000 0.930 331 D HN 0.102 nan 8.370 nan 0.000 0.521 332 K N 0.022 120.404 120.400 -0.029 0.000 2.380 332 K HA 0.216 4.535 4.320 -0.001 0.000 0.198 332 K C -0.064 176.467 176.600 -0.115 0.000 1.070 332 K CA 0.030 56.309 56.287 -0.013 0.000 1.040 332 K CB 1.943 34.537 32.500 0.158 0.000 0.903 332 K HN -0.064 nan 8.250 nan 0.000 0.549 333 V N 1.055 120.810 119.914 -0.264 0.000 2.569 333 V HA 0.599 4.718 4.120 -0.001 0.000 0.301 333 V C -0.980 175.027 176.094 -0.144 0.000 1.044 333 V CA -1.432 60.699 62.300 -0.283 0.000 0.874 333 V CB 1.695 33.013 31.823 -0.841 0.000 1.002 333 V HN 0.086 nan 8.190 nan 0.000 0.424 334 A N 5.957 128.756 122.820 -0.035 0.000 2.318 334 A HA 0.907 5.227 4.320 -0.001 0.000 0.324 334 A C -0.726 176.906 177.584 0.081 0.000 1.170 334 A CA -0.491 51.562 52.037 0.027 0.000 0.810 334 A CB 0.742 19.708 19.000 -0.056 0.000 1.198 334 A HN 0.793 nan 8.150 nan 0.000 0.484 335 I N 2.155 122.796 120.570 0.118 0.000 2.354 335 I HA 0.237 4.407 4.170 -0.001 0.000 0.286 335 I C -0.208 176.004 176.117 0.158 0.000 1.007 335 I CA -0.490 60.885 61.300 0.125 0.000 1.167 335 I CB 1.668 39.707 38.000 0.065 0.000 1.320 335 I HN 0.675 nan 8.210 nan 0.000 0.458 336 Q N 5.784 125.689 119.800 0.174 0.000 2.274 336 Q HA 0.446 4.786 4.340 -0.001 0.000 0.256 336 Q C -1.348 174.656 176.000 0.007 0.000 0.927 336 Q CA -0.392 55.543 55.803 0.220 0.000 0.939 336 Q CB 1.224 30.244 28.738 0.470 0.000 1.201 336 Q HN 0.419 nan 8.270 nan 0.000 0.426 337 L N 4.256 125.523 121.223 0.073 0.000 2.262 337 L HA 0.347 4.686 4.340 -0.001 0.000 0.288 337 L C -0.398 176.519 176.870 0.078 0.000 1.035 337 L CA -0.332 54.542 54.840 0.057 0.000 0.820 337 L CB 0.789 42.927 42.059 0.131 0.000 1.204 337 L HN 0.590 nan 8.230 nan 0.000 0.424 338 N N 4.338 123.009 118.700 -0.048 0.000 2.508 338 N HA 0.119 4.858 4.740 -0.001 0.000 0.253 338 N C -0.089 175.464 175.510 0.072 0.000 1.145 338 N CA 0.513 53.605 53.050 0.069 0.000 0.973 338 N CB -0.083 38.380 38.487 -0.040 0.000 1.305 338 N HN 0.578 nan 8.380 nan 0.000 0.506 339 D N -0.307 120.221 120.400 0.214 0.000 4.808 339 D HA -0.223 4.416 4.640 -0.001 0.000 0.304 339 D C 0.284 176.645 176.300 0.103 0.000 2.360 339 D CA 1.427 55.509 54.000 0.136 0.000 1.222 339 D CB -0.442 40.151 40.800 -0.345 0.000 1.085 339 D HN 0.512 nan 8.370 nan 0.000 1.266 340 T N -2.110 112.432 114.554 -0.019 0.000 3.160 340 T HA 0.029 4.379 4.350 -0.001 0.000 0.257 340 T C 1.589 176.336 174.700 0.078 0.000 1.147 340 T CA 1.628 63.699 62.100 -0.049 0.000 1.064 340 T CB -0.521 68.296 68.868 -0.085 0.000 0.949 340 T HN 0.480 nan 8.240 nan 0.000 0.526 341 H N 2.384 121.534 119.070 0.134 0.000 2.387 341 H HA 0.027 4.583 4.556 -0.001 0.000 0.299 341 H C -0.816 174.602 175.328 0.149 0.000 1.090 341 H CA 0.823 56.969 56.048 0.162 0.000 1.332 341 H CB -0.592 29.268 29.762 0.163 0.000 1.386 341 H HN 0.443 nan 8.280 nan 0.000 0.516 342 P HA 0.098 nan 4.420 nan 0.000 0.262 342 P C 0.732 178.080 177.300 0.080 0.000 1.651 342 P CA 0.312 63.496 63.100 0.141 0.000 1.119 342 P CB 0.479 32.252 31.700 0.121 0.000 1.552 343 S N 0.005 115.742 115.700 0.063 0.000 2.419 343 S HA -0.152 4.318 4.470 -0.001 0.000 0.235 343 S C 1.785 176.393 174.600 0.013 0.000 1.019 343 S CA 0.876 59.072 58.200 -0.007 0.000 0.982 343 S CB -1.536 61.629 63.200 -0.057 0.000 0.789 343 S HN 0.150 nan 8.310 nan 0.000 0.490 344 L N 1.089 122.339 121.223 0.045 0.000 2.450 344 L HA 0.017 4.357 4.340 -0.001 0.000 0.224 344 L C 2.935 179.852 176.870 0.079 0.000 1.149 344 L CA 0.633 55.504 54.840 0.051 0.000 0.816 344 L CB -0.764 41.319 42.059 0.041 0.000 0.932 344 L HN 0.472 nan 8.230 nan 0.000 0.449 345 A N 0.445 123.291 122.820 0.044 0.000 1.986 345 A HA -0.213 4.107 4.320 -0.001 0.000 0.220 345 A C 2.188 179.780 177.584 0.013 0.000 1.171 345 A CA 1.607 53.654 52.037 0.017 0.000 0.640 345 A CB -0.494 18.504 19.000 -0.003 0.000 0.811 345 A HN 0.396 nan 8.150 nan 0.000 0.451 346 I N 0.133 120.714 120.570 0.019 0.000 2.162 346 I HA -0.118 4.052 4.170 -0.001 0.000 0.238 346 I C -0.329 175.820 176.117 0.052 0.000 1.076 346 I CA 1.330 62.641 61.300 0.019 0.000 1.353 346 I CB -0.921 37.094 38.000 0.026 0.000 1.063 346 I HN 0.225 nan 8.210 nan 0.000 0.408 347 P HA -0.185 nan 4.420 nan 0.000 0.218 347 P C 1.307 178.627 177.300 0.033 0.000 1.149 347 P CA 1.523 64.662 63.100 0.066 0.000 0.817 347 P CB 0.017 31.782 31.700 0.109 0.000 0.785 348 E N 0.237 120.543 120.200 0.177 0.000 2.058 348 E HA -0.189 4.160 4.350 -0.001 0.000 0.194 348 E C 1.939 178.528 176.600 -0.019 0.000 0.997 348 E CA 0.945 57.453 56.400 0.179 0.000 0.801 348 E CB -1.248 28.602 29.700 0.250 0.000 0.746 348 E HN 0.031 nan 8.360 nan 0.000 0.450 349 L N -0.197 120.987 121.223 -0.065 0.000 2.017 349 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 349 L C 2.156 178.882 176.870 -0.241 0.000 1.073 349 L CA 1.831 56.573 54.840 -0.162 0.000 0.745 349 L CB -0.657 41.315 42.059 -0.145 0.000 0.894 349 L HN 0.224 nan 8.230 nan 0.000 0.432 350 M N -0.589 118.884 119.600 -0.212 0.000 2.082 350 M HA -0.264 4.216 4.480 -0.001 0.000 0.258 350 M C 2.467 178.587 176.300 -0.299 0.000 1.069 350 M CA 1.734 56.852 55.300 -0.302 0.000 1.102 350 M CB -1.257 31.153 32.600 -0.316 0.000 1.336 350 M HN 0.357 nan 8.290 nan 0.000 0.404 351 R N -0.168 120.187 120.500 -0.242 0.000 2.083 351 R HA -0.136 4.204 4.340 -0.001 0.000 0.237 351 R C 2.110 178.297 176.300 -0.188 0.000 1.137 351 R CA 1.743 57.705 56.100 -0.229 0.000 0.951 351 R CB -0.199 29.919 30.300 -0.304 0.000 0.851 351 R HN 0.218 nan 8.270 nan 0.000 0.434 352 V N 1.485 121.286 119.914 -0.188 0.000 2.261 352 V HA -0.264 3.855 4.120 -0.001 0.000 0.246 352 V C 2.457 178.374 176.094 -0.294 0.000 1.047 352 V CA 1.826 64.007 62.300 -0.199 0.000 1.015 352 V CB -0.451 31.256 31.823 -0.193 0.000 0.642 352 V HN 0.348 nan 8.190 nan 0.000 0.446 353 L N -0.542 120.435 121.223 -0.409 0.000 2.012 353 L HA -0.184 4.156 4.340 -0.001 0.000 0.210 353 L C 2.429 179.099 176.870 -0.334 0.000 1.073 353 L CA 1.386 55.911 54.840 -0.525 0.000 0.748 353 L CB -0.685 41.024 42.059 -0.584 0.000 0.891 353 L HN 0.212 nan 8.230 nan 0.000 0.431 354 V N -0.625 119.138 119.914 -0.253 0.000 2.302 354 V HA -0.195 3.925 4.120 -0.001 0.000 0.243 354 V C 2.003 178.049 176.094 -0.080 0.000 1.036 354 V CA 1.729 63.946 62.300 -0.137 0.000 1.020 354 V CB -0.336 31.431 31.823 -0.093 0.000 0.657 354 V HN 0.377 nan 8.190 nan 0.000 0.453 355 D N -0.172 120.175 120.400 -0.088 0.000 2.162 355 D HA 0.007 4.647 4.640 -0.001 0.000 0.203 355 D C 2.020 178.288 176.300 -0.053 0.000 0.967 355 D CA 1.140 55.107 54.000 -0.054 0.000 0.840 355 D CB 0.131 40.897 40.800 -0.057 0.000 0.972 355 D HN 0.329 nan 8.370 nan 0.000 0.482 356 L N 0.244 121.420 121.223 -0.078 0.000 2.388 356 L HA 0.114 4.454 4.340 -0.001 0.000 0.209 356 L C 1.847 178.682 176.870 -0.059 0.000 1.061 356 L CA 0.490 55.294 54.840 -0.061 0.000 0.834 356 L CB 0.141 42.162 42.059 -0.065 0.000 1.029 356 L HN -0.194 nan 8.230 nan 0.000 0.473 357 E N 0.355 120.487 120.200 -0.113 0.000 2.447 357 E HA 0.062 4.411 4.350 -0.001 0.000 0.195 357 E C 0.113 176.681 176.600 -0.053 0.000 1.028 357 E CA -0.061 56.283 56.400 -0.092 0.000 0.876 357 E CB 0.384 29.916 29.700 -0.281 0.000 0.885 357 E HN 0.212 nan 8.360 nan 0.000 0.500 358 R N 0.060 120.521 120.500 -0.065 0.000 3.651 358 R HA -0.190 4.149 4.340 -0.001 0.000 0.292 358 R C -0.285 176.006 176.300 -0.015 0.000 1.161 358 R CA 0.257 56.343 56.100 -0.023 0.000 0.787 358 R CB -2.838 27.465 30.300 0.005 0.000 1.249 358 R HN 0.091 nan 8.270 nan 0.000 0.476 359 L N 1.664 122.852 121.223 -0.060 0.000 2.452 359 L HA 0.091 4.430 4.340 -0.001 0.000 0.267 359 L C 1.081 177.950 176.870 -0.002 0.000 1.188 359 L CA 0.588 55.404 54.840 -0.040 0.000 0.821 359 L CB 0.330 42.318 42.059 -0.118 0.000 1.102 359 L HN -0.014 nan 8.230 nan 0.000 0.470 360 D N 0.966 121.389 120.400 0.039 0.000 2.400 360 D HA -0.151 4.488 4.640 -0.001 0.000 0.238 360 D C 0.761 177.130 176.300 0.116 0.000 1.157 360 D CA -0.091 53.966 54.000 0.094 0.000 0.889 360 D CB 0.585 41.443 40.800 0.098 0.000 1.199 360 D HN 0.558 nan 8.370 nan 0.000 0.436 361 W N 2.110 123.416 121.300 0.010 0.000 2.315 361 W HA -0.242 4.418 4.660 -0.001 0.000 0.323 361 W C 1.134 177.702 176.519 0.082 0.000 1.233 361 W CA 1.527 58.886 57.345 0.023 0.000 1.267 361 W CB -0.100 29.355 29.460 -0.009 0.000 1.160 361 W HN 0.363 nan 8.180 nan 0.000 0.474 362 D N 0.319 120.935 120.400 0.360 0.000 2.116 362 D HA -0.222 4.418 4.640 -0.001 0.000 0.193 362 D C 2.092 178.494 176.300 0.170 0.000 0.998 362 D CA 1.634 55.807 54.000 0.288 0.000 0.836 362 D CB -0.598 40.342 40.800 0.233 0.000 0.951 362 D HN 0.006 nan 8.370 nan 0.000 0.449 363 K N 0.878 121.341 120.400 0.105 0.000 2.020 363 K HA -0.114 4.205 4.320 -0.001 0.000 0.212 363 K C 1.976 178.571 176.600 -0.009 0.000 1.050 363 K CA 1.438 57.756 56.287 0.051 0.000 0.929 363 K CB -0.623 31.901 32.500 0.040 0.000 0.714 363 K HN 0.092 nan 8.250 nan 0.000 0.443 364 A N 0.432 123.206 122.820 -0.076 0.000 1.972 364 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 364 A C 2.156 179.653 177.584 -0.146 0.000 1.169 364 A CA 1.371 53.294 52.037 -0.190 0.000 0.635 364 A CB -0.888 17.927 19.000 -0.307 0.000 0.810 364 A HN 0.687 nan 8.150 nan 0.000 0.446 365 W N 0.562 121.687 121.300 -0.292 0.000 2.453 365 W HA -0.085 4.575 4.660 -0.001 0.000 0.289 365 W C 1.902 178.373 176.519 -0.080 0.000 1.215 365 W CA 1.389 58.598 57.345 -0.227 0.000 1.297 365 W CB -0.119 29.239 29.460 -0.169 0.000 1.113 365 W HN 0.596 nan 8.180 nan 0.000 0.551 366 E N 0.499 120.680 120.200 -0.032 0.000 2.049 366 E HA -0.248 4.102 4.350 -0.001 0.000 0.198 366 E C 2.014 178.530 176.600 -0.141 0.000 1.007 366 E CA 2.271 58.619 56.400 -0.088 0.000 0.809 366 E CB -0.395 29.314 29.700 0.015 0.000 0.749 366 E HN 0.055 nan 8.360 nan 0.000 0.450 367 V N 0.863 120.715 119.914 -0.104 0.000 2.252 367 V HA -0.308 3.812 4.120 -0.001 0.000 0.249 367 V C 2.499 178.527 176.094 -0.111 0.000 1.056 367 V CA 2.344 64.600 62.300 -0.073 0.000 1.022 367 V CB -0.937 30.832 31.823 -0.091 0.000 0.641 367 V HN 0.399 nan 8.190 nan 0.000 0.445 368 T N -0.074 114.336 114.554 -0.240 0.000 2.652 368 T HA -0.176 4.173 4.350 -0.001 0.000 0.267 368 T C 1.922 176.433 174.700 -0.314 0.000 1.039 368 T CA 1.805 63.735 62.100 -0.283 0.000 1.153 368 T CB -0.283 68.347 68.868 -0.397 0.000 0.863 368 T HN 0.284 nan 8.240 nan 0.000 0.428 369 V N 1.207 120.813 119.914 -0.513 0.000 2.343 369 V HA -0.146 3.974 4.120 -0.001 0.000 0.247 369 V C 2.380 178.439 176.094 -0.058 0.000 1.051 369 V CA 1.595 63.662 62.300 -0.389 0.000 1.036 369 V CB -0.465 31.061 31.823 -0.494 0.000 0.654 369 V HN 0.427 nan 8.190 nan 0.000 0.451 370 K N -0.434 119.914 120.400 -0.088 0.000 2.288 370 K HA -0.090 4.229 4.320 -0.001 0.000 0.201 370 K C 2.136 178.725 176.600 -0.019 0.000 1.048 370 K CA 1.493 57.713 56.287 -0.112 0.000 0.956 370 K CB -0.188 32.228 32.500 -0.140 0.000 0.746 370 K HN 0.499 nan 8.250 nan 0.000 0.461 371 T N 0.263 114.851 114.554 0.057 0.000 2.851 371 T HA -0.029 4.321 4.350 -0.001 0.000 0.262 371 T C 0.967 175.775 174.700 0.180 0.000 1.043 371 T CA 0.566 62.726 62.100 0.100 0.000 1.140 371 T CB 0.016 68.956 68.868 0.120 0.000 0.872 371 T HN 0.171 nan 8.240 nan 0.000 0.446 372 C N 2.293 121.678 119.300 0.141 0.000 2.350 372 C HA 0.878 5.337 4.460 -0.001 0.000 0.348 372 C C 0.635 175.646 174.990 0.036 0.000 1.260 372 C CA -1.320 57.749 59.018 0.086 0.000 1.966 372 C CB -0.058 27.677 27.740 -0.009 0.000 2.380 372 C HN 0.612 nan 8.230 nan 0.000 0.535 373 A N 2.110 124.951 122.820 0.034 0.000 2.515 373 A HA 0.810 5.130 4.320 -0.001 0.000 0.296 373 A C -1.670 175.979 177.584 0.108 0.000 1.094 373 A CA -0.386 51.620 52.037 -0.053 0.000 0.718 373 A CB 1.271 20.203 19.000 -0.112 0.000 1.307 373 A HN 0.915 nan 8.150 nan 0.000 0.408 374 Y N 0.779 121.027 120.300 -0.086 0.000 2.361 374 Y HA 0.643 5.193 4.550 -0.001 0.000 0.337 374 Y C -0.697 175.187 175.900 -0.028 0.000 0.965 374 Y CA -0.699 57.362 58.100 -0.064 0.000 1.091 374 Y CB 1.881 40.253 38.460 -0.147 0.000 1.182 374 Y HN 0.546 nan 8.280 nan 0.000 0.450 375 T N 6.999 121.431 114.554 -0.204 0.000 2.749 375 T HA 0.231 4.581 4.350 -0.001 0.000 0.287 375 T C -0.530 173.832 174.700 -0.564 0.000 0.970 375 T CA -0.724 61.181 62.100 -0.325 0.000 0.980 375 T CB 0.237 69.135 68.868 0.051 0.000 0.924 375 T HN 0.671 nan 8.240 nan 0.000 0.456 376 N N 1.960 120.259 118.700 -0.668 0.000 2.455 376 N HA 0.105 4.844 4.740 -0.001 0.000 0.280 376 N C 0.157 175.573 175.510 -0.156 0.000 1.055 376 N CA -0.316 52.555 53.050 -0.298 0.000 0.961 376 N CB 0.694 39.111 38.487 -0.117 0.000 1.121 376 N HN 0.661 nan 8.380 nan 0.000 0.476 377 H N 1.219 120.312 119.070 0.037 0.000 2.755 377 H HA 0.134 4.689 4.556 -0.001 0.000 0.273 377 H C -0.111 175.117 175.328 -0.167 0.000 1.055 377 H CA 0.145 56.160 56.048 -0.055 0.000 1.191 377 H CB 1.149 30.897 29.762 -0.024 0.000 1.536 377 H HN 0.555 nan 8.280 nan 0.000 0.529 378 T N -0.062 114.490 114.554 -0.003 0.000 2.893 378 T HA 0.189 4.538 4.350 -0.001 0.000 0.337 378 T C 0.516 175.227 174.700 0.019 0.000 1.587 378 T CA -0.403 61.647 62.100 -0.084 0.000 1.066 378 T CB 1.113 69.937 68.868 -0.073 0.000 1.414 378 T HN -0.068 nan 8.240 nan 0.000 0.488 379 V N 1.923 121.820 119.914 -0.027 0.000 3.621 379 V HA 0.528 4.647 4.120 -0.001 0.000 0.285 379 V C 0.824 176.884 176.094 -0.056 0.000 1.346 379 V CA 0.030 62.318 62.300 -0.019 0.000 1.104 379 V CB -0.594 31.222 31.823 -0.012 0.000 0.913 379 V HN 0.707 nan 8.190 nan 0.000 0.432 380 L N 2.203 123.377 121.223 -0.081 0.000 2.500 380 L HA 0.214 4.553 4.340 -0.001 0.000 0.272 380 L C -0.954 175.905 176.870 -0.018 0.000 1.149 380 L CA -1.111 53.698 54.840 -0.051 0.000 0.897 380 L CB 0.717 42.725 42.059 -0.086 0.000 1.178 380 L HN 0.099 nan 8.230 nan 0.000 0.473 381 P HA -0.219 nan 4.420 nan 0.000 0.217 381 P C 1.143 178.428 177.300 -0.025 0.000 1.148 381 P CA 1.061 64.151 63.100 -0.017 0.000 0.828 381 P CB 0.093 31.790 31.700 -0.006 0.000 0.783 382 E N -0.406 119.799 120.200 0.009 0.000 2.482 382 E HA -0.004 4.345 4.350 -0.001 0.000 0.196 382 E C 1.393 177.920 176.600 -0.122 0.000 1.047 382 E CA 0.907 57.287 56.400 -0.034 0.000 0.869 382 E CB -0.594 29.171 29.700 0.109 0.000 0.836 382 E HN 0.174 nan 8.360 nan 0.000 0.520 383 A N 1.101 123.898 122.820 -0.038 0.000 2.195 383 A HA 0.167 4.487 4.320 -0.001 0.000 0.210 383 A C 1.093 178.631 177.584 -0.077 0.000 1.165 383 A CA -0.372 51.657 52.037 -0.013 0.000 0.806 383 A CB 0.026 19.055 19.000 0.048 0.000 0.847 383 A HN 0.213 nan 8.150 nan 0.000 0.482 384 L N 1.793 122.930 121.223 -0.143 0.000 2.499 384 L HA 0.113 4.452 4.340 -0.001 0.000 0.273 384 L C -0.159 176.311 176.870 -0.666 0.000 1.195 384 L CA 0.692 55.380 54.840 -0.253 0.000 0.882 384 L CB -0.027 41.923 42.059 -0.181 0.000 1.133 384 L HN 0.372 nan 8.230 nan 0.000 0.483 385 E N 6.019 125.745 120.200 -0.790 0.000 2.105 385 E HA 0.241 4.591 4.350 -0.001 0.000 0.285 385 E C -0.592 175.341 176.600 -1.112 0.000 1.055 385 E CA -0.268 55.222 56.400 -1.516 0.000 0.843 385 E CB 0.663 29.873 29.700 -0.816 0.000 1.067 385 E HN 0.402 nan 8.360 nan 0.000 0.398 386 R N 3.841 123.559 120.500 -1.304 0.000 2.472 386 R HA 0.230 4.570 4.340 -0.001 0.000 0.294 386 R C -1.174 174.968 176.300 -0.263 0.000 1.243 386 R CA -0.618 55.171 56.100 -0.518 0.000 1.023 386 R CB 0.769 30.898 30.300 -0.286 0.000 1.157 386 R HN 0.415 nan 8.270 nan 0.000 0.530 387 W N 3.974 125.240 121.300 -0.056 0.000 2.287 387 W HA 0.271 4.930 4.660 -0.001 0.000 0.313 387 W C -1.909 174.581 176.519 -0.049 0.000 1.267 387 W CA -2.287 55.082 57.345 0.040 0.000 1.201 387 W CB 0.723 30.180 29.460 -0.005 0.000 1.196 387 W HN 0.241 nan 8.180 nan 0.000 0.536 388 P HA -0.098 nan 4.420 nan 0.000 0.263 388 P C 0.836 178.015 177.300 -0.202 0.000 1.195 388 P CA 0.295 63.306 63.100 -0.149 0.000 0.762 388 P CB 0.687 32.081 31.700 -0.510 0.000 0.799 389 V N 3.625 123.467 119.914 -0.120 0.000 2.324 389 V HA -0.312 3.808 4.120 -0.001 0.000 0.250 389 V C 2.186 178.259 176.094 -0.034 0.000 1.060 389 V CA 2.661 64.934 62.300 -0.044 0.000 1.042 389 V CB -1.560 30.305 31.823 0.070 0.000 0.650 389 V HN 0.764 nan 8.190 nan 0.000 0.450 390 H N -0.920 118.209 119.070 0.099 0.000 2.352 390 H HA -0.161 4.395 4.556 -0.001 0.000 0.299 390 H C 2.108 177.486 175.328 0.083 0.000 1.097 390 H CA 2.008 58.110 56.048 0.090 0.000 1.311 390 H CB -0.822 28.992 29.762 0.088 0.000 1.377 390 H HN 0.360 nan 8.280 nan 0.000 0.504 391 L N -0.044 121.180 121.223 0.001 0.000 1.994 391 L HA -0.142 4.198 4.340 -0.001 0.000 0.208 391 L C 2.435 179.308 176.870 0.006 0.000 1.071 391 L CA 1.465 56.369 54.840 0.108 0.000 0.745 391 L CB -0.306 41.781 42.059 0.046 0.000 0.892 391 L HN 0.338 nan 8.230 nan 0.000 0.431 392 L N -0.557 120.623 121.223 -0.072 0.000 2.083 392 L HA -0.261 4.079 4.340 -0.001 0.000 0.209 392 L C 2.557 179.378 176.870 -0.083 0.000 1.083 392 L CA 1.317 56.078 54.840 -0.131 0.000 0.752 392 L CB -0.515 41.453 42.059 -0.152 0.000 0.899 392 L HN 0.366 nan 8.230 nan 0.000 0.433 393 E N -0.453 119.741 120.200 -0.011 0.000 2.110 393 E HA -0.194 4.156 4.350 -0.001 0.000 0.193 393 E C 1.904 178.550 176.600 0.076 0.000 0.988 393 E CA 1.776 58.196 56.400 0.033 0.000 0.804 393 E CB 0.161 29.917 29.700 0.094 0.000 0.745 393 E HN 0.459 nan 8.360 nan 0.000 0.458 394 T N 1.073 115.700 114.554 0.122 0.000 2.781 394 T HA -0.090 4.259 4.350 -0.001 0.000 0.252 394 T C 1.771 176.611 174.700 0.232 0.000 1.039 394 T CA 0.704 62.931 62.100 0.212 0.000 1.147 394 T CB -0.249 68.772 68.868 0.255 0.000 0.865 394 T HN 0.069 nan 8.240 nan 0.000 0.423 395 L N 0.232 121.495 121.223 0.067 0.000 2.093 395 L HA 0.247 4.586 4.340 -0.001 0.000 0.208 395 L C 0.524 177.348 176.870 -0.077 0.000 1.085 395 L CA 1.701 56.438 54.840 -0.171 0.000 0.755 395 L CB -0.139 41.777 42.059 -0.239 0.000 0.904 395 L HN 0.219 nan 8.230 nan 0.000 0.435 396 L N 0.191 121.330 121.223 -0.140 0.000 2.574 396 L HA 0.257 4.596 4.340 -0.001 0.000 0.258 396 L C -1.695 174.987 176.870 -0.312 0.000 1.520 396 L CA -0.912 53.741 54.840 -0.311 0.000 0.775 396 L CB 0.809 42.552 42.059 -0.527 0.000 1.028 396 L HN -0.070 nan 8.230 nan 0.000 0.516 397 P HA -0.214 nan 4.420 nan 0.000 0.215 397 P C 1.469 178.576 177.300 -0.322 0.000 1.153 397 P CA 1.312 64.287 63.100 -0.209 0.000 0.853 397 P CB 0.314 31.956 31.700 -0.098 0.000 0.788 398 R N -0.666 119.454 120.500 -0.634 0.000 2.148 398 R HA -0.117 4.222 4.340 -0.001 0.000 0.223 398 R C 2.260 178.256 176.300 -0.506 0.000 1.088 398 R CA 1.315 57.069 56.100 -0.576 0.000 0.985 398 R CB -1.155 28.676 30.300 -0.782 0.000 0.880 398 R HN 0.212 nan 8.270 nan 0.000 0.451 399 H N -0.227 118.539 119.070 -0.506 0.000 2.357 399 H HA -0.047 4.508 4.556 -0.001 0.000 0.301 399 H C 1.778 176.944 175.328 -0.269 0.000 1.082 399 H CA 1.741 57.574 56.048 -0.359 0.000 1.342 399 H CB -0.048 29.462 29.762 -0.420 0.000 1.389 399 H HN 0.094 nan 8.280 nan 0.000 0.511 400 L N 0.549 121.658 121.223 -0.191 0.000 2.017 400 L HA -0.249 4.091 4.340 -0.001 0.000 0.208 400 L C 1.984 178.687 176.870 -0.279 0.000 1.073 400 L CA 1.569 56.234 54.840 -0.290 0.000 0.745 400 L CB -0.318 41.587 42.059 -0.257 0.000 0.894 400 L HN 0.457 nan 8.230 nan 0.000 0.432 401 Q N -0.184 119.554 119.800 -0.102 0.000 2.045 401 Q HA -0.278 4.062 4.340 -0.001 0.000 0.206 401 Q C 2.157 178.182 176.000 0.042 0.000 0.991 401 Q CA 1.944 57.773 55.803 0.043 0.000 0.851 401 Q CB -0.259 28.515 28.738 0.059 0.000 0.911 401 Q HN 0.562 nan 8.270 nan 0.000 0.418 402 I N 0.416 120.996 120.570 0.017 0.000 2.286 402 I HA -0.275 3.894 4.170 -0.001 0.000 0.248 402 I C 2.239 178.438 176.117 0.137 0.000 1.115 402 I CA 1.045 62.446 61.300 0.169 0.000 1.392 402 I CB -0.175 37.866 38.000 0.069 0.000 1.065 402 I HN 0.199 nan 8.210 nan 0.000 0.418 403 I N -0.552 120.009 120.570 -0.016 0.000 2.252 403 I HA -0.303 3.866 4.170 -0.001 0.000 0.245 403 I C 2.399 178.504 176.117 -0.020 0.000 1.102 403 I CA 1.334 62.602 61.300 -0.053 0.000 1.385 403 I CB -0.361 37.545 38.000 -0.157 0.000 1.064 403 I HN 0.134 nan 8.210 nan 0.000 0.414 404 Y N 0.885 121.187 120.300 0.004 0.000 2.165 404 Y HA -0.290 4.260 4.550 -0.001 0.000 0.286 404 Y C 2.599 178.461 175.900 -0.064 0.000 1.155 404 Y CA 1.581 59.668 58.100 -0.021 0.000 1.164 404 Y CB -0.800 37.639 38.460 -0.036 0.000 0.978 404 Y HN 0.190 nan 8.280 nan 0.000 0.513 405 E N 0.410 120.642 120.200 0.053 0.000 2.072 405 E HA -0.140 4.210 4.350 -0.001 0.000 0.191 405 E C 2.081 178.614 176.600 -0.112 0.000 0.985 405 E CA 1.245 57.539 56.400 -0.177 0.000 0.801 405 E CB -0.564 28.817 29.700 -0.531 0.000 0.750 405 E HN 0.470 nan 8.360 nan 0.000 0.452 406 I N 0.790 121.382 120.570 0.036 0.000 2.151 406 I HA -0.336 3.833 4.170 -0.001 0.000 0.243 406 I C 2.308 178.424 176.117 -0.002 0.000 1.080 406 I CA 1.508 62.757 61.300 -0.085 0.000 1.339 406 I CB -0.469 37.456 38.000 -0.125 0.000 1.039 406 I HN 0.216 nan 8.210 nan 0.000 0.409 407 N N 0.662 119.410 118.700 0.080 0.000 2.043 407 N HA -0.278 4.461 4.740 -0.001 0.000 0.193 407 N C 1.849 177.449 175.510 0.151 0.000 1.037 407 N CA 1.700 54.852 53.050 0.170 0.000 0.851 407 N CB -0.224 38.380 38.487 0.194 0.000 1.027 407 N HN 0.337 nan 8.380 nan 0.000 0.422 408 Q N 0.006 119.841 119.800 0.059 0.000 2.045 408 Q HA -0.168 4.172 4.340 -0.001 0.000 0.206 408 Q C 2.070 178.064 176.000 -0.009 0.000 0.991 408 Q CA 1.651 57.455 55.803 0.000 0.000 0.851 408 Q CB -0.038 28.658 28.738 -0.070 0.000 0.911 408 Q HN 0.376 nan 8.270 nan 0.000 0.418 409 R N -0.730 119.747 120.500 -0.038 0.000 2.092 409 R HA -0.122 4.217 4.340 -0.001 0.000 0.231 409 R C 2.155 178.491 176.300 0.059 0.000 1.119 409 R CA 1.354 57.434 56.100 -0.033 0.000 0.970 409 R CB -0.368 29.875 30.300 -0.095 0.000 0.864 409 R HN 0.289 nan 8.270 nan 0.000 0.440 410 F N 1.203 121.139 119.950 -0.023 0.000 2.146 410 F HA -0.080 4.447 4.527 -0.001 0.000 0.298 410 F C 1.696 177.532 175.800 0.060 0.000 1.096 410 F CA 1.329 59.364 58.000 0.057 0.000 1.275 410 F CB -0.046 39.016 39.000 0.103 0.000 1.008 410 F HN -0.108 nan 8.300 nan 0.000 0.480 411 L N -0.179 121.039 121.223 -0.007 0.000 2.217 411 L HA -0.159 4.181 4.340 -0.001 0.000 0.211 411 L C 2.018 178.821 176.870 -0.111 0.000 1.107 411 L CA 1.151 55.928 54.840 -0.104 0.000 0.783 411 L CB -0.876 41.197 42.059 0.023 0.000 0.919 411 L HN 0.199 nan 8.230 nan 0.000 0.442 412 N N 0.021 118.679 118.700 -0.070 0.000 2.094 412 N HA -0.212 4.528 4.740 -0.001 0.000 0.191 412 N C 1.953 177.410 175.510 -0.088 0.000 1.023 412 N CA 1.106 54.117 53.050 -0.066 0.000 0.857 412 N CB -0.014 38.445 38.487 -0.047 0.000 1.013 412 N HN 0.273 nan 8.380 nan 0.000 0.426 413 R N 0.492 120.918 120.500 -0.123 0.000 2.066 413 R HA -0.050 4.289 4.340 -0.001 0.000 0.232 413 R C 2.244 178.437 176.300 -0.178 0.000 1.131 413 R CA 0.826 56.845 56.100 -0.135 0.000 0.955 413 R CB -0.375 29.860 30.300 -0.109 0.000 0.851 413 R HN 0.065 nan 8.270 nan 0.000 0.432 414 V N 1.151 120.903 119.914 -0.270 0.000 2.252 414 V HA -0.322 3.797 4.120 -0.001 0.000 0.249 414 V C 2.459 178.546 176.094 -0.011 0.000 1.056 414 V CA 2.149 64.371 62.300 -0.130 0.000 1.022 414 V CB -0.832 30.860 31.823 -0.219 0.000 0.641 414 V HN 0.456 nan 8.190 nan 0.000 0.445 415 A N -0.224 122.564 122.820 -0.054 0.000 1.908 415 A HA -0.152 4.167 4.320 -0.001 0.000 0.218 415 A C 2.408 179.968 177.584 -0.041 0.000 1.181 415 A CA 2.343 54.366 52.037 -0.024 0.000 0.627 415 A CB -0.814 18.164 19.000 -0.036 0.000 0.818 415 A HN 0.617 nan 8.150 nan 0.000 0.445 416 A N -0.380 122.394 122.820 -0.076 0.000 1.898 416 A HA 0.220 4.540 4.320 -0.001 0.000 0.216 416 A C 2.470 179.958 177.584 -0.159 0.000 1.181 416 A CA 1.958 53.939 52.037 -0.094 0.000 0.620 416 A CB -0.905 18.045 19.000 -0.083 0.000 0.819 416 A HN 1.053 nan 8.150 nan 0.000 0.442 417 A N -1.702 120.967 122.820 -0.251 0.000 1.968 417 A HA 0.277 4.596 4.320 -0.001 0.000 0.217 417 A C 0.515 177.615 177.584 -0.806 0.000 1.169 417 A CA 0.692 52.408 52.037 -0.534 0.000 0.638 417 A CB -0.280 18.316 19.000 -0.673 0.000 0.812 417 A HN 0.437 nan 8.150 nan 0.000 0.446 418 F N -0.105 119.799 119.950 -0.076 0.000 2.523 418 F HA 0.339 4.866 4.527 -0.001 0.000 0.322 418 F C -2.738 173.025 175.800 -0.061 0.000 1.361 418 F CA -3.146 54.812 58.000 -0.069 0.000 1.151 418 F CB 0.641 39.591 39.000 -0.084 0.000 1.391 418 F HN -0.070 nan 8.300 nan 0.000 0.566 419 P HA 0.168 nan 4.420 nan 0.000 0.264 419 P C 1.040 178.361 177.300 0.035 0.000 1.193 419 P CA 1.040 64.154 63.100 0.022 0.000 0.763 419 P CB 0.806 32.502 31.700 -0.007 0.000 0.810 420 G N 2.418 111.231 108.800 0.021 0.000 2.184 420 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.264 420 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.264 420 G C 0.262 175.170 174.900 0.013 0.000 0.975 420 G CA 0.045 45.153 45.100 0.013 0.000 0.642 420 G HN 0.614 nan 8.290 nan 0.000 0.536 421 D N 0.809 121.225 120.400 0.027 0.000 2.470 421 D HA 0.406 5.045 4.640 -0.001 0.000 0.226 421 D C 1.503 177.791 176.300 -0.021 0.000 1.196 421 D CA 0.390 54.388 54.000 -0.002 0.000 0.979 421 D CB 0.770 41.560 40.800 -0.017 0.000 1.059 421 D HN 0.115 nan 8.370 nan 0.000 0.515 422 V N 3.383 123.286 119.914 -0.018 0.000 2.358 422 V HA -0.193 3.927 4.120 -0.001 0.000 0.246 422 V C 1.705 177.785 176.094 -0.024 0.000 1.047 422 V CA 1.938 64.228 62.300 -0.017 0.000 1.035 422 V CB -0.017 31.799 31.823 -0.010 0.000 0.658 422 V HN 0.435 nan 8.190 nan 0.000 0.452 423 D N -0.538 119.843 120.400 -0.031 0.000 2.178 423 D HA -0.186 4.454 4.640 -0.001 0.000 0.202 423 D C 2.314 178.584 176.300 -0.050 0.000 0.974 423 D CA 1.222 55.203 54.000 -0.030 0.000 0.841 423 D CB -0.196 40.587 40.800 -0.028 0.000 0.953 423 D HN 0.373 nan 8.370 nan 0.000 0.478 424 R N -0.442 120.003 120.500 -0.093 0.000 2.083 424 R HA -0.156 4.184 4.340 -0.001 0.000 0.237 424 R C 1.953 178.183 176.300 -0.118 0.000 1.137 424 R CA 0.946 56.954 56.100 -0.153 0.000 0.951 424 R CB -0.332 29.821 30.300 -0.246 0.000 0.851 424 R HN 0.158 nan 8.270 nan 0.000 0.434 425 L N 1.319 122.498 121.223 -0.073 0.000 1.978 425 L HA -0.258 4.082 4.340 -0.001 0.000 0.218 425 L C 2.585 179.460 176.870 0.009 0.000 1.075 425 L CA 2.399 57.218 54.840 -0.034 0.000 0.767 425 L CB -0.912 41.137 42.059 -0.017 0.000 0.890 425 L HN 0.335 nan 8.230 nan 0.000 0.434 426 R N -1.176 119.335 120.500 0.018 0.000 2.148 426 R HA -0.069 4.270 4.340 -0.001 0.000 0.223 426 R C 2.180 178.532 176.300 0.088 0.000 1.088 426 R CA 0.972 57.105 56.100 0.056 0.000 0.985 426 R CB -0.452 29.876 30.300 0.046 0.000 0.880 426 R HN 0.250 nan 8.270 nan 0.000 0.451 427 R N 0.422 120.954 120.500 0.053 0.000 2.073 427 R HA 0.102 4.442 4.340 -0.001 0.000 0.229 427 R C 2.229 178.612 176.300 0.139 0.000 1.120 427 R CA 1.743 57.900 56.100 0.095 0.000 0.967 427 R CB -0.205 30.108 30.300 0.023 0.000 0.862 427 R HN 0.301 nan 8.270 nan 0.000 0.436 428 M N 0.452 120.033 119.600 -0.032 0.000 2.492 428 M HA 0.001 4.481 4.480 -0.001 0.000 0.262 428 M C 0.969 177.385 176.300 0.194 0.000 1.090 428 M CA 0.264 55.461 55.300 -0.171 0.000 1.110 428 M CB 0.109 32.492 32.600 -0.362 0.000 1.407 428 M HN -0.061 nan 8.290 nan 0.000 0.470 429 S N 0.952 116.807 115.700 0.258 0.000 2.558 429 S HA -0.009 4.460 4.470 -0.001 0.000 0.293 429 S C 1.045 175.917 174.600 0.453 0.000 1.292 429 S CA -0.425 57.965 58.200 0.317 0.000 1.063 429 S CB 0.542 63.872 63.200 0.216 0.000 0.831 429 S HN 0.199 nan 8.310 nan 0.000 0.499 430 L N 5.797 127.234 121.223 0.357 0.000 2.191 430 L HA 0.057 4.397 4.340 -0.001 0.000 0.212 430 L C 0.655 177.638 176.870 0.188 0.000 1.103 430 L CA 1.036 56.038 54.840 0.270 0.000 0.769 430 L CB -0.582 41.572 42.059 0.158 0.000 0.908 430 L HN 0.499 nan 8.230 nan 0.000 0.438 431 V N -0.073 119.962 119.914 0.202 0.000 2.406 431 V HA 0.183 4.303 4.120 -0.001 0.000 0.272 431 V C 0.232 176.411 176.094 0.142 0.000 1.043 431 V CA -0.788 61.615 62.300 0.170 0.000 0.915 431 V CB 1.194 33.148 31.823 0.219 0.000 0.988 431 V HN 0.126 nan 8.190 nan 0.000 0.466 432 E N 3.550 123.810 120.200 0.100 0.000 2.134 432 E HA 0.318 4.668 4.350 -0.001 0.000 0.278 432 E C -0.438 176.206 176.600 0.074 0.000 0.959 432 E CA -0.554 55.892 56.400 0.078 0.000 0.783 432 E CB 0.902 30.624 29.700 0.036 0.000 1.095 432 E HN 0.616 nan 8.360 nan 0.000 0.399 433 E N 1.546 121.788 120.200 0.071 0.000 2.319 433 E HA 0.593 4.943 4.350 -0.001 0.000 0.268 433 E C 0.143 176.775 176.600 0.054 0.000 1.050 433 E CA -0.314 56.123 56.400 0.062 0.000 0.878 433 E CB 1.729 31.461 29.700 0.054 0.000 1.066 433 E HN 0.729 nan 8.360 nan 0.000 0.406 434 G N -0.670 108.162 108.800 0.053 0.000 2.320 434 G HA2 0.280 4.239 3.960 -0.001 0.000 0.297 434 G HA3 0.280 4.239 3.960 -0.001 0.000 0.297 434 G C 0.375 175.307 174.900 0.054 0.000 1.344 434 G CA -0.083 45.046 45.100 0.049 0.000 0.851 434 G HN 0.397 nan 8.290 nan 0.000 0.567 435 A N -1.170 121.681 122.820 0.051 0.000 1.940 435 A HA 0.188 4.507 4.320 -0.001 0.000 0.221 435 A C 1.641 179.270 177.584 0.074 0.000 1.190 435 A CA 3.021 55.091 52.037 0.055 0.000 0.647 435 A CB -0.659 18.371 19.000 0.050 0.000 0.821 435 A HN 2.232 nan 8.150 nan 0.000 0.457 436 V N 0.059 120.023 119.914 0.083 0.000 2.444 436 V HA 0.417 4.536 4.120 -0.001 0.000 0.294 436 V C -0.426 175.720 176.094 0.086 0.000 1.022 436 V CA -1.133 61.232 62.300 0.109 0.000 0.850 436 V CB 1.306 33.216 31.823 0.145 0.000 0.992 436 V HN 0.347 nan 8.190 nan 0.000 0.426 437 K N 6.105 126.559 120.400 0.091 0.000 2.451 437 K HA 0.342 4.662 4.320 -0.001 0.000 0.280 437 K C -0.266 176.372 176.600 0.063 0.000 1.020 437 K CA 0.140 56.478 56.287 0.085 0.000 1.008 437 K CB 0.624 33.190 32.500 0.110 0.000 0.917 437 K HN 0.729 nan 8.250 nan 0.000 0.478 438 R N 1.823 122.357 120.500 0.056 0.000 2.867 438 R HA 0.496 4.835 4.340 -0.001 0.000 0.268 438 R C -0.545 175.777 176.300 0.037 0.000 1.014 438 R CA -1.080 55.044 56.100 0.040 0.000 0.946 438 R CB 1.160 31.473 30.300 0.022 0.000 1.208 438 R HN 0.329 nan 8.270 nan 0.000 0.477 439 I N 1.875 122.463 120.570 0.031 0.000 2.321 439 I HA 0.157 4.327 4.170 -0.001 0.000 0.291 439 I C -0.159 175.933 176.117 -0.042 0.000 0.998 439 I CA -0.838 60.469 61.300 0.012 0.000 1.227 439 I CB 0.969 38.975 38.000 0.010 0.000 1.368 439 I HN 0.519 nan 8.210 nan 0.000 0.466 440 N N 6.907 125.554 118.700 -0.090 0.000 2.405 440 N HA 0.086 4.826 4.740 -0.001 0.000 0.260 440 N C 0.722 176.136 175.510 -0.160 0.000 1.152 440 N CA -0.223 52.697 53.050 -0.217 0.000 0.948 440 N CB 0.990 39.200 38.487 -0.462 0.000 1.111 440 N HN 0.374 nan 8.380 nan 0.000 0.485 441 M N 2.651 122.146 119.600 -0.175 0.000 2.288 441 M HA 0.011 4.491 4.480 -0.001 0.000 0.266 441 M C 1.949 178.095 176.300 -0.256 0.000 1.072 441 M CA 0.572 55.787 55.300 -0.142 0.000 1.132 441 M CB -1.559 30.996 32.600 -0.075 0.000 1.386 441 M HN 0.625 nan 8.290 nan 0.000 0.432 442 A N -0.189 122.476 122.820 -0.259 0.000 1.908 442 A HA -0.194 4.125 4.320 -0.001 0.000 0.218 442 A C 2.009 179.363 177.584 -0.383 0.000 1.181 442 A CA 1.671 53.512 52.037 -0.328 0.000 0.627 442 A CB -1.197 17.825 19.000 0.037 0.000 0.818 442 A HN 0.591 nan 8.150 nan 0.000 0.445 443 H N -1.502 117.364 119.070 -0.339 0.000 2.353 443 H HA -0.122 4.434 4.556 -0.001 0.000 0.300 443 H C 2.122 177.233 175.328 -0.362 0.000 1.090 443 H CA 1.145 56.971 56.048 -0.370 0.000 1.327 443 H CB -0.093 29.665 29.762 -0.007 0.000 1.383 443 H HN 0.435 nan 8.280 nan 0.000 0.508 444 L N 0.801 121.948 121.223 -0.126 0.000 2.043 444 L HA -0.200 4.140 4.340 -0.001 0.000 0.212 444 L C 2.298 179.030 176.870 -0.230 0.000 1.075 444 L CA 1.515 56.272 54.840 -0.139 0.000 0.752 444 L CB -0.839 41.168 42.059 -0.087 0.000 0.891 444 L HN 0.309 nan 8.230 nan 0.000 0.432 445 C N -0.447 118.610 119.300 -0.405 0.000 2.429 445 C HA -0.124 4.336 4.460 -0.001 0.000 0.277 445 C C 2.696 177.445 174.990 -0.402 0.000 1.262 445 C CA 1.040 59.740 59.018 -0.530 0.000 1.733 445 C CB -0.941 26.072 27.740 -1.211 0.000 2.010 445 C HN 0.628 nan 8.230 nan 0.000 0.483 446 I N 1.329 121.612 120.570 -0.478 0.000 2.202 446 I HA -0.159 4.011 4.170 -0.001 0.000 0.242 446 I C 2.769 178.728 176.117 -0.263 0.000 1.091 446 I CA 1.527 62.583 61.300 -0.407 0.000 1.368 446 I CB -0.622 36.956 38.000 -0.705 0.000 1.058 446 I HN 0.245 nan 8.210 nan 0.000 0.410 447 A N 0.709 123.322 122.820 -0.345 0.000 1.908 447 A HA -0.146 4.173 4.320 -0.001 0.000 0.218 447 A C 2.205 179.826 177.584 0.062 0.000 1.181 447 A CA 2.045 53.898 52.037 -0.307 0.000 0.627 447 A CB -1.267 17.346 19.000 -0.647 0.000 0.818 447 A HN 0.488 nan 8.150 nan 0.000 0.445 448 G N -1.298 107.499 108.800 -0.004 0.000 3.371 448 G HA2 0.430 4.390 3.960 -0.001 0.000 0.248 448 G HA3 0.430 4.390 3.960 -0.001 0.000 0.248 448 G C 0.028 174.782 174.900 -0.243 0.000 1.161 448 G CA 0.525 45.532 45.100 -0.155 0.000 0.796 448 G HN 0.347 nan 8.290 nan 0.000 0.539 449 S N -0.370 115.238 115.700 -0.154 0.000 2.526 449 S HA 0.321 4.791 4.470 -0.001 0.000 0.293 449 S C 0.671 175.226 174.600 -0.074 0.000 1.092 449 S CA -0.733 57.398 58.200 -0.116 0.000 0.980 449 S CB 1.312 64.445 63.200 -0.111 0.000 1.048 449 S HN 0.496 nan 8.310 nan 0.000 0.483 450 H N 0.064 119.106 119.070 -0.047 0.000 2.544 450 H HA 0.490 5.045 4.556 -0.001 0.000 0.269 450 H C 0.234 175.562 175.328 -0.000 0.000 0.970 450 H CA 0.315 56.364 56.048 0.003 0.000 1.219 450 H CB 0.160 29.933 29.762 0.017 0.000 1.421 450 H HN 0.520 nan 8.280 nan 0.000 0.555 451 A N 0.945 123.494 122.820 -0.452 0.000 2.515 451 A HA 0.580 4.899 4.320 -0.001 0.000 0.298 451 A C -1.378 176.006 177.584 -0.333 0.000 1.059 451 A CA -0.590 51.234 52.037 -0.354 0.000 0.698 451 A CB 2.396 21.173 19.000 -0.371 0.000 1.289 451 A HN 0.095 nan 8.150 nan 0.000 0.404 452 V N 3.752 123.420 119.914 -0.410 0.000 2.525 452 V HA 0.494 4.613 4.120 -0.001 0.000 0.299 452 V C -0.860 175.008 176.094 -0.377 0.000 1.034 452 V CA -0.798 61.225 62.300 -0.462 0.000 0.863 452 V CB 1.786 33.135 31.823 -0.790 0.000 0.999 452 V HN 1.016 nan 8.190 nan 0.000 0.423 453 N N 3.157 121.662 118.700 -0.325 0.000 2.240 453 N HA 0.594 5.334 4.740 -0.001 0.000 0.302 453 N C -0.163 175.231 175.510 -0.193 0.000 1.106 453 N CA -0.356 52.559 53.050 -0.226 0.000 0.778 453 N CB 2.882 41.224 38.487 -0.241 0.000 1.431 453 N HN 0.631 nan 8.380 nan 0.000 0.479 454 G N -0.633 108.103 108.800 -0.107 0.000 2.557 454 G HA2 0.391 4.351 3.960 -0.001 0.000 0.292 454 G HA3 0.391 4.351 3.960 -0.001 0.000 0.292 454 G C 0.793 175.751 174.900 0.096 0.000 1.237 454 G CA -0.408 44.720 45.100 0.047 0.000 0.978 454 G HN 0.659 nan 8.290 nan 0.000 0.498 455 V N -3.846 116.203 119.914 0.225 0.000 3.380 455 V HA 0.707 4.827 4.120 -0.001 0.000 0.307 455 V C 0.540 176.698 176.094 0.107 0.000 1.434 455 V CA 0.454 62.809 62.300 0.092 0.000 1.075 455 V CB -0.845 30.971 31.823 -0.013 0.000 0.954 455 V HN 1.404 nan 8.190 nan 0.000 0.444 456 A N -0.147 122.748 122.820 0.125 0.000 2.586 456 A HA 0.656 4.975 4.320 -0.001 0.000 0.291 456 A C 0.574 178.205 177.584 0.080 0.000 1.062 456 A CA -0.088 52.008 52.037 0.099 0.000 0.666 456 A CB 0.959 20.012 19.000 0.087 0.000 1.281 456 A HN 0.012 nan 8.150 nan 0.000 0.421 457 R N 0.130 120.659 120.500 0.048 0.000 2.083 457 R HA -0.117 4.223 4.340 -0.001 0.000 0.237 457 R C 1.828 178.129 176.300 0.002 0.000 1.137 457 R CA 2.132 58.240 56.100 0.012 0.000 0.951 457 R CB -0.265 30.038 30.300 0.005 0.000 0.851 457 R HN 0.779 nan 8.270 nan 0.000 0.434 458 I N 0.188 120.767 120.570 0.016 0.000 2.286 458 I HA -0.316 3.854 4.170 -0.001 0.000 0.248 458 I C 2.260 178.389 176.117 0.021 0.000 1.115 458 I CA 1.912 63.215 61.300 0.005 0.000 1.392 458 I CB -0.179 37.824 38.000 0.004 0.000 1.065 458 I HN 0.353 nan 8.210 nan 0.000 0.418 459 H N 0.143 119.187 119.070 -0.043 0.000 2.363 459 H HA -0.087 4.469 4.556 -0.001 0.000 0.301 459 H C 2.281 177.581 175.328 -0.046 0.000 1.074 459 H CA 2.074 58.093 56.048 -0.048 0.000 1.354 459 H CB -0.202 29.536 29.762 -0.041 0.000 1.397 459 H HN 0.220 nan 8.280 nan 0.000 0.516 460 S N 0.356 115.971 115.700 -0.143 0.000 2.399 460 S HA -0.122 4.348 4.470 -0.001 0.000 0.231 460 S C 1.853 176.350 174.600 -0.171 0.000 1.022 460 S CA 1.215 59.304 58.200 -0.184 0.000 0.983 460 S CB -0.057 63.097 63.200 -0.077 0.000 0.803 460 S HN 0.498 nan 8.310 nan 0.000 0.480 461 E N 0.743 120.856 120.200 -0.145 0.000 2.072 461 E HA 0.002 4.352 4.350 -0.001 0.000 0.190 461 E C 2.014 178.498 176.600 -0.194 0.000 0.982 461 E CA 0.528 56.829 56.400 -0.165 0.000 0.803 461 E CB -0.335 29.296 29.700 -0.115 0.000 0.755 461 E HN 0.380 nan 8.360 nan 0.000 0.453 462 I N 1.423 121.891 120.570 -0.169 0.000 2.361 462 I HA -0.211 3.958 4.170 -0.001 0.000 0.251 462 I C 2.196 178.188 176.117 -0.208 0.000 1.133 462 I CA 0.747 61.950 61.300 -0.163 0.000 1.413 462 I CB -0.206 37.728 38.000 -0.109 0.000 1.073 462 I HN 0.029 nan 8.210 nan 0.000 0.424 463 L N -0.258 120.815 121.223 -0.251 0.000 2.012 463 L HA -0.278 4.061 4.340 -0.001 0.000 0.210 463 L C 2.495 179.273 176.870 -0.153 0.000 1.073 463 L CA 1.633 56.370 54.840 -0.172 0.000 0.748 463 L CB -0.799 41.245 42.059 -0.024 0.000 0.891 463 L HN 0.208 nan 8.230 nan 0.000 0.431 464 K N -0.040 120.170 120.400 -0.317 0.000 2.057 464 K HA -0.138 4.181 4.320 -0.001 0.000 0.206 464 K C 2.183 178.527 176.600 -0.427 0.000 1.050 464 K CA 1.114 57.010 56.287 -0.653 0.000 0.935 464 K CB 0.003 31.870 32.500 -1.056 0.000 0.715 464 K HN 0.276 nan 8.250 nan 0.000 0.439 465 K N -0.091 120.136 120.400 -0.289 0.000 2.031 465 K HA -0.087 4.232 4.320 -0.001 0.000 0.205 465 K C 2.290 178.825 176.600 -0.108 0.000 1.049 465 K CA 1.922 58.108 56.287 -0.169 0.000 0.939 465 K CB 0.060 32.478 32.500 -0.136 0.000 0.717 465 K HN 0.317 nan 8.250 nan 0.000 0.438 466 T N -1.325 113.159 114.554 -0.116 0.000 3.397 466 T HA 0.045 4.394 4.350 -0.001 0.000 0.233 466 T C 1.985 176.632 174.700 -0.089 0.000 0.969 466 T CA 0.114 62.161 62.100 -0.088 0.000 1.316 466 T CB -0.652 68.164 68.868 -0.087 0.000 1.175 466 T HN 0.213 nan 8.240 nan 0.000 0.381 467 I N -0.844 119.620 120.570 -0.176 0.000 2.439 467 I HA 0.272 4.442 4.170 -0.001 0.000 0.251 467 I C 0.486 176.437 176.117 -0.276 0.000 1.139 467 I CA 1.062 62.194 61.300 -0.279 0.000 1.438 467 I CB -0.155 37.581 38.000 -0.441 0.000 1.085 467 I HN 0.145 nan 8.210 nan 0.000 0.427 468 F N 1.442 121.466 119.950 0.124 0.000 2.908 468 F HA 0.408 4.934 4.527 -0.001 0.000 0.328 468 F C 1.659 177.532 175.800 0.121 0.000 1.211 468 F CA -0.929 57.234 58.000 0.272 0.000 1.291 468 F CB -0.417 38.788 39.000 0.341 0.000 0.962 468 F HN -0.011 nan 8.300 nan 0.000 0.505 469 K N 0.610 121.104 120.400 0.156 0.000 2.063 469 K HA -0.187 4.132 4.320 -0.001 0.000 0.208 469 K C 1.213 177.849 176.600 0.061 0.000 1.048 469 K CA 2.025 58.349 56.287 0.060 0.000 0.928 469 K CB 0.084 32.589 32.500 0.007 0.000 0.713 469 K HN 0.142 nan 8.250 nan 0.000 0.442 470 D N -0.065 120.346 120.400 0.018 0.000 2.117 470 D HA -0.140 4.500 4.640 -0.001 0.000 0.197 470 D C 1.774 177.993 176.300 -0.136 0.000 0.987 470 D CA 1.160 55.056 54.000 -0.173 0.000 0.829 470 D CB -0.263 40.335 40.800 -0.337 0.000 0.961 470 D HN 0.237 nan 8.370 nan 0.000 0.460 471 F N -0.228 119.796 119.950 0.123 0.000 2.259 471 F HA -0.116 4.411 4.527 -0.001 0.000 0.298 471 F C 2.289 178.184 175.800 0.158 0.000 1.088 471 F CA 0.402 58.548 58.000 0.243 0.000 1.358 471 F CB -0.613 38.633 39.000 0.411 0.000 1.040 471 F HN -0.030 nan 8.300 nan 0.000 0.505 472 Y N 1.305 121.474 120.300 -0.218 0.000 2.242 472 Y HA -0.164 4.385 4.550 -0.001 0.000 0.291 472 Y C 2.061 177.894 175.900 -0.111 0.000 1.137 472 Y CA 1.525 59.295 58.100 -0.550 0.000 1.181 472 Y CB -0.573 37.436 38.460 -0.753 0.000 0.989 472 Y HN 0.128 nan 8.280 nan 0.000 0.527 473 E N -0.382 119.730 120.200 -0.147 0.000 2.107 473 E HA -0.167 4.183 4.350 -0.001 0.000 0.191 473 E C 2.013 178.667 176.600 0.089 0.000 0.982 473 E CA 1.059 57.399 56.400 -0.100 0.000 0.809 473 E CB -0.264 29.418 29.700 -0.031 0.000 0.756 473 E HN 0.406 nan 8.360 nan 0.000 0.459 474 L N 1.238 122.566 121.223 0.174 0.000 1.994 474 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 474 L C 0.241 177.174 176.870 0.106 0.000 1.071 474 L CA 1.790 56.753 54.840 0.206 0.000 0.745 474 L CB 0.195 42.385 42.059 0.218 0.000 0.892 474 L HN -0.042 nan 8.230 nan 0.000 0.431 475 E N -0.319 119.936 120.200 0.092 0.000 3.132 475 E HA 0.189 4.538 4.350 -0.001 0.000 0.241 475 E C -2.027 174.476 176.600 -0.161 0.000 1.196 475 E CA -1.370 54.970 56.400 -0.099 0.000 0.869 475 E CB 0.808 30.460 29.700 -0.080 0.000 1.387 475 E HN 0.204 nan 8.360 nan 0.000 0.393 476 P HA -0.250 nan 4.420 nan 0.000 0.218 476 P C 1.206 178.592 177.300 0.144 0.000 1.148 476 P CA 1.424 64.414 63.100 -0.182 0.000 0.822 476 P CB -0.097 31.382 31.700 -0.367 0.000 0.784 477 H N 0.039 119.223 119.070 0.190 0.000 2.491 477 H HA 0.084 4.640 4.556 -0.001 0.000 0.290 477 H C 1.504 176.937 175.328 0.175 0.000 1.050 477 H CA 0.685 56.832 56.048 0.164 0.000 1.309 477 H CB -0.595 29.232 29.762 0.108 0.000 1.392 477 H HN 0.144 nan 8.280 nan 0.000 0.554 478 K N 0.291 120.644 120.400 -0.077 0.000 2.211 478 K HA -0.002 4.317 4.320 -0.001 0.000 0.203 478 K C -0.217 176.288 176.600 -0.159 0.000 1.050 478 K CA 0.429 56.671 56.287 -0.074 0.000 0.945 478 K CB 0.054 32.405 32.500 -0.248 0.000 0.732 478 K HN 0.093 nan 8.250 nan 0.000 0.451 479 F N 1.622 121.609 119.950 0.063 0.000 2.411 479 F HA 0.193 4.719 4.527 -0.001 0.000 0.350 479 F C 0.392 176.199 175.800 0.011 0.000 1.114 479 F CA -0.210 57.824 58.000 0.056 0.000 1.135 479 F CB 1.055 40.146 39.000 0.152 0.000 1.120 479 F HN -0.097 nan 8.300 nan 0.000 0.495 480 Q N 1.350 121.172 119.800 0.036 0.000 2.605 480 Q HA 0.400 4.740 4.340 -0.001 0.000 0.296 480 Q C -1.404 174.556 176.000 -0.067 0.000 1.056 480 Q CA -1.471 54.314 55.803 -0.030 0.000 0.778 480 Q CB 2.464 31.133 28.738 -0.114 0.000 1.497 480 Q HN 0.510 nan 8.270 nan 0.000 0.443 481 N N 0.482 119.127 118.700 -0.091 0.000 2.321 481 N HA 0.277 5.016 4.740 -0.001 0.000 0.299 481 N C -1.639 173.771 175.510 -0.166 0.000 1.048 481 N CA -0.450 52.541 53.050 -0.098 0.000 0.836 481 N CB 0.963 39.416 38.487 -0.058 0.000 1.269 481 N HN 0.230 nan 8.380 nan 0.000 0.486 482 K N 2.405 122.705 120.400 -0.167 0.000 2.675 482 K HA 0.254 4.574 4.320 -0.001 0.000 0.224 482 K C -0.979 175.627 176.600 0.009 0.000 1.003 482 K CA -0.506 55.662 56.287 -0.197 0.000 1.034 482 K CB 0.839 32.991 32.500 -0.581 0.000 1.218 482 K HN 0.598 nan 8.250 nan 0.000 0.507 483 T N 2.441 117.018 114.554 0.039 0.000 2.902 483 T HA 0.080 4.429 4.350 -0.001 0.000 0.301 483 T C 0.783 175.606 174.700 0.205 0.000 1.012 483 T CA -0.004 62.167 62.100 0.118 0.000 1.151 483 T CB 0.253 69.191 68.868 0.116 0.000 0.946 483 T HN 0.251 nan 8.240 nan 0.000 0.542 484 N N 1.085 119.924 118.700 0.233 0.000 2.267 484 N HA 0.456 5.195 4.740 -0.001 0.000 0.226 484 N C 0.508 176.203 175.510 0.307 0.000 1.314 484 N CA 0.288 53.507 53.050 0.282 0.000 0.887 484 N CB 0.404 39.000 38.487 0.182 0.000 1.120 484 N HN 0.887 nan 8.380 nan 0.000 0.440 485 G N -1.324 107.666 108.800 0.316 0.000 2.649 485 G HA2 0.632 4.591 3.960 -0.001 0.000 0.290 485 G HA3 0.632 4.591 3.960 -0.001 0.000 0.290 485 G C -1.249 173.788 174.900 0.229 0.000 1.426 485 G CA -0.709 44.564 45.100 0.288 0.000 0.794 485 G HN 0.574 nan 8.290 nan 0.000 0.483 486 I N -2.123 118.569 120.570 0.204 0.000 2.785 486 I HA 0.761 4.931 4.170 -0.001 0.000 0.302 486 I C -0.070 176.229 176.117 0.303 0.000 1.069 486 I CA -0.964 60.458 61.300 0.203 0.000 1.045 486 I CB 2.478 40.469 38.000 -0.014 0.000 1.236 486 I HN 0.475 nan 8.210 nan 0.000 0.429 487 T N 4.153 118.954 114.554 0.412 0.000 2.794 487 T HA 0.379 4.729 4.350 -0.001 0.000 0.296 487 T C -1.559 173.277 174.700 0.226 0.000 0.949 487 T CA -1.637 60.612 62.100 0.248 0.000 1.101 487 T CB 0.795 69.741 68.868 0.130 0.000 0.905 487 T HN 0.625 nan 8.240 nan 0.000 0.516 488 P HA 0.106 nan 4.420 nan 0.000 0.245 488 P C 0.971 178.246 177.300 -0.041 0.000 1.212 488 P CA 0.188 63.340 63.100 0.086 0.000 0.774 488 P CB 0.354 32.098 31.700 0.073 0.000 0.999 489 R N 0.473 120.901 120.500 -0.120 0.000 2.072 489 R HA 0.051 4.391 4.340 -0.001 0.000 0.221 489 R C 2.580 178.758 176.300 -0.202 0.000 1.166 489 R CA 1.342 57.322 56.100 -0.200 0.000 0.917 489 R CB -1.364 28.816 30.300 -0.199 0.000 0.815 489 R HN -0.065 nan 8.270 nan 0.000 0.444 490 R N -0.516 119.801 120.500 -0.305 0.000 2.133 490 R HA -0.196 4.144 4.340 -0.001 0.000 0.245 490 R C 1.460 177.415 176.300 -0.575 0.000 1.137 490 R CA 2.317 58.066 56.100 -0.584 0.000 0.947 490 R CB -0.408 29.274 30.300 -1.030 0.000 0.865 490 R HN 0.362 nan 8.270 nan 0.000 0.437 491 W N -0.910 120.352 121.300 -0.063 0.000 3.345 491 W HA 0.155 4.815 4.660 -0.001 0.000 0.282 491 W C 1.000 177.493 176.519 -0.043 0.000 1.302 491 W CA -0.741 56.567 57.345 -0.062 0.000 1.724 491 W CB 0.362 29.793 29.460 -0.048 0.000 1.104 491 W HN 0.263 nan 8.180 nan 0.000 0.694 492 L N -2.380 118.899 121.223 0.093 0.000 2.681 492 L HA 0.190 4.529 4.340 -0.001 0.000 0.163 492 L C 1.761 178.648 176.870 0.028 0.000 1.188 492 L CA 0.766 55.656 54.840 0.083 0.000 0.944 492 L CB -0.886 41.251 42.059 0.131 0.000 1.835 492 L HN -0.264 nan 8.230 nan 0.000 0.510 493 V N 1.046 120.954 119.914 -0.010 0.000 2.332 493 V HA -0.273 3.847 4.120 -0.001 0.000 0.248 493 V C 2.532 178.600 176.094 -0.044 0.000 1.055 493 V CA 2.343 64.627 62.300 -0.027 0.000 1.038 493 V CB -0.543 31.229 31.823 -0.086 0.000 0.651 493 V HN 0.394 nan 8.190 nan 0.000 0.450 494 L N 0.196 121.364 121.223 -0.093 0.000 1.973 494 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 494 L C 2.666 179.478 176.870 -0.096 0.000 1.073 494 L CA 2.503 57.272 54.840 -0.119 0.000 0.746 494 L CB -0.463 41.468 42.059 -0.214 0.000 0.891 494 L HN 0.679 nan 8.230 nan 0.000 0.433 495 C N -2.411 116.827 119.300 -0.102 0.000 2.533 495 C HA 0.114 4.574 4.460 -0.001 0.000 0.272 495 C C 1.304 176.281 174.990 -0.023 0.000 1.371 495 C CA -0.205 58.770 59.018 -0.072 0.000 1.758 495 C CB -0.736 26.962 27.740 -0.070 0.000 1.972 495 C HN 0.503 nan 8.230 nan 0.000 0.522 496 N N 1.306 120.003 118.700 -0.005 0.000 2.723 496 N HA 0.290 5.029 4.740 -0.001 0.000 0.290 496 N C -1.724 173.798 175.510 0.020 0.000 1.882 496 N CA -1.694 51.363 53.050 0.011 0.000 0.851 496 N CB 0.669 39.169 38.487 0.022 0.000 1.234 496 N HN 0.287 nan 8.380 nan 0.000 0.491 497 P HA -0.047 nan 4.420 nan 0.000 0.218 497 P C 1.365 178.680 177.300 0.026 0.000 1.149 497 P CA 0.865 63.977 63.100 0.020 0.000 0.817 497 P CB 0.259 31.964 31.700 0.008 0.000 0.785 498 G N 0.561 109.370 108.800 0.014 0.000 2.418 498 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.217 498 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.217 498 G C 1.512 176.414 174.900 0.004 0.000 1.158 498 G CA 0.515 45.618 45.100 0.006 0.000 0.771 498 G HN 0.216 nan 8.290 nan 0.000 0.545 499 L N 1.406 122.633 121.223 0.007 0.000 2.027 499 L HA 0.215 4.554 4.340 -0.001 0.000 0.206 499 L C 3.111 180.011 176.870 0.051 0.000 1.074 499 L CA 2.017 56.861 54.840 0.005 0.000 0.745 499 L CB -0.906 41.159 42.059 0.009 0.000 0.898 499 L HN 0.243 nan 8.230 nan 0.000 0.433 500 A N -0.855 122.019 122.820 0.089 0.000 1.948 500 A HA -0.280 4.040 4.320 -0.001 0.000 0.220 500 A C 2.264 179.954 177.584 0.176 0.000 1.177 500 A CA 1.955 54.102 52.037 0.182 0.000 0.636 500 A CB -0.670 18.428 19.000 0.163 0.000 0.815 500 A HN 0.541 nan 8.150 nan 0.000 0.449 501 E N 0.453 120.713 120.200 0.101 0.000 2.072 501 E HA -0.132 4.218 4.350 -0.001 0.000 0.190 501 E C 1.820 178.469 176.600 0.083 0.000 0.982 501 E CA 1.446 57.898 56.400 0.086 0.000 0.803 501 E CB -0.484 29.244 29.700 0.048 0.000 0.755 501 E HN 0.754 nan 8.360 nan 0.000 0.453 502 I N -1.824 118.786 120.570 0.066 0.000 2.493 502 I HA -0.099 4.071 4.170 -0.001 0.000 0.254 502 I C 2.077 178.307 176.117 0.189 0.000 1.160 502 I CA 0.965 62.321 61.300 0.093 0.000 1.445 502 I CB -0.306 37.705 38.000 0.018 0.000 1.086 502 I HN 0.003 nan 8.210 nan 0.000 0.433 503 I N 2.006 122.661 120.570 0.142 0.000 2.202 503 I HA -0.211 3.959 4.170 -0.001 0.000 0.242 503 I C 3.012 179.137 176.117 0.014 0.000 1.091 503 I CA 1.385 62.702 61.300 0.028 0.000 1.368 503 I CB -0.516 37.344 38.000 -0.233 0.000 1.058 503 I HN 0.315 nan 8.210 nan 0.000 0.410 504 A N 0.461 123.372 122.820 0.151 0.000 1.933 504 A HA -0.239 4.080 4.320 -0.001 0.000 0.218 504 A C 2.169 179.813 177.584 0.101 0.000 1.175 504 A CA 1.715 53.880 52.037 0.214 0.000 0.628 504 A CB -0.635 18.500 19.000 0.224 0.000 0.814 504 A HN 0.451 nan 8.150 nan 0.000 0.444 505 E N -0.861 119.376 120.200 0.061 0.000 2.160 505 E HA -0.207 4.143 4.350 -0.001 0.000 0.195 505 E C 2.193 178.780 176.600 -0.021 0.000 0.991 505 E CA 1.080 57.494 56.400 0.023 0.000 0.810 505 E CB -0.043 29.668 29.700 0.019 0.000 0.742 505 E HN 0.363 nan 8.360 nan 0.000 0.466 506 R N -0.355 120.098 120.500 -0.078 0.000 2.105 506 R HA 0.136 4.476 4.340 -0.001 0.000 0.214 506 R C 1.653 177.950 176.300 -0.005 0.000 1.091 506 R CA 0.792 56.800 56.100 -0.154 0.000 1.007 506 R CB 0.101 30.082 30.300 -0.532 0.000 0.912 506 R HN 0.185 nan 8.270 nan 0.000 0.450 507 I N -0.497 120.086 120.570 0.022 0.000 4.102 507 I HA 0.233 4.402 4.170 -0.001 0.000 0.325 507 I C 0.445 176.638 176.117 0.126 0.000 1.471 507 I CA 0.247 61.590 61.300 0.073 0.000 1.133 507 I CB 1.056 39.087 38.000 0.052 0.000 1.184 507 I HN 0.258 nan 8.210 nan 0.000 0.451 508 G N 1.453 110.333 108.800 0.132 0.000 2.741 508 G HA2 -0.229 3.730 3.960 -0.001 0.000 0.222 508 G HA3 -0.229 3.730 3.960 -0.001 0.000 0.222 508 G C 0.196 175.233 174.900 0.228 0.000 1.364 508 G CA -0.130 45.055 45.100 0.141 0.000 0.866 508 G HN 0.360 nan 8.290 nan 0.000 0.555 509 E N -0.142 120.129 120.200 0.118 0.000 2.476 509 E HA 0.109 4.458 4.350 -0.001 0.000 0.199 509 E C 1.995 178.523 176.600 -0.121 0.000 1.021 509 E CA 0.320 56.712 56.400 -0.013 0.000 0.907 509 E CB 0.304 30.004 29.700 0.001 0.000 0.974 509 E HN 0.645 nan 8.360 nan 0.000 0.489 510 E N 0.448 120.660 120.200 0.020 0.000 2.209 510 E HA -0.223 4.126 4.350 -0.001 0.000 0.196 510 E C 1.679 178.277 176.600 -0.005 0.000 0.993 510 E CA 1.214 57.627 56.400 0.020 0.000 0.819 510 E CB -0.207 29.531 29.700 0.064 0.000 0.745 510 E HN 0.500 nan 8.360 nan 0.000 0.477 511 Y N -0.329 119.987 120.300 0.026 0.000 2.403 511 Y HA -0.133 4.416 4.550 -0.001 0.000 0.291 511 Y C 1.853 177.743 175.900 -0.016 0.000 1.143 511 Y CA 0.424 58.532 58.100 0.012 0.000 1.257 511 Y CB -0.293 38.178 38.460 0.019 0.000 0.984 511 Y HN -0.065 nan 8.280 nan 0.000 0.550 512 I N 1.196 121.285 120.570 -0.801 0.000 2.335 512 I HA -0.218 3.951 4.170 -0.001 0.000 0.251 512 I C 1.789 177.678 176.117 -0.380 0.000 1.129 512 I CA 1.893 62.770 61.300 -0.704 0.000 1.402 512 I CB -1.349 36.151 38.000 -0.832 0.000 1.069 512 I HN 0.574 nan 8.210 nan 0.000 0.424 513 S N -1.413 114.176 115.700 -0.185 0.000 2.741 513 S HA 0.225 4.695 4.470 -0.001 0.000 0.247 513 S C 0.071 174.671 174.600 0.001 0.000 1.050 513 S CA -0.502 57.663 58.200 -0.058 0.000 1.025 513 S CB 0.194 63.423 63.200 0.049 0.000 0.897 513 S HN 0.288 nan 8.310 nan 0.000 0.508 514 D N 0.685 121.095 120.400 0.016 0.000 2.934 514 D HA 0.204 4.843 4.640 -0.001 0.000 0.249 514 D C 0.252 176.608 176.300 0.094 0.000 1.293 514 D CA -0.353 53.677 54.000 0.050 0.000 0.812 514 D CB 0.434 41.264 40.800 0.051 0.000 1.439 514 D HN 0.185 nan 8.370 nan 0.000 0.555 515 L N 1.125 122.403 121.223 0.091 0.000 2.376 515 L HA 0.092 4.432 4.340 -0.001 0.000 0.219 515 L C 1.419 178.345 176.870 0.094 0.000 1.133 515 L CA 1.457 56.378 54.840 0.134 0.000 0.816 515 L CB -0.019 42.112 42.059 0.121 0.000 0.933 515 L HN 0.241 nan 8.230 nan 0.000 0.449 516 D N -0.622 119.809 120.400 0.051 0.000 2.265 516 D HA -0.231 4.409 4.640 -0.001 0.000 0.208 516 D C 1.777 178.098 176.300 0.035 0.000 0.977 516 D CA 0.915 54.929 54.000 0.023 0.000 0.871 516 D CB 0.053 40.853 40.800 0.000 0.000 0.925 516 D HN 0.572 nan 8.370 nan 0.000 0.485 517 Q N 0.139 119.978 119.800 0.065 0.000 2.364 517 Q HA -0.059 4.280 4.340 -0.001 0.000 0.209 517 Q C 2.374 178.392 176.000 0.031 0.000 0.977 517 Q CA 0.248 56.089 55.803 0.063 0.000 0.885 517 Q CB -0.016 28.790 28.738 0.115 0.000 0.941 517 Q HN 0.408 nan 8.270 nan 0.000 0.464 518 L N 0.197 121.433 121.223 0.021 0.000 2.187 518 L HA -0.215 4.124 4.340 -0.001 0.000 0.213 518 L C 2.322 179.186 176.870 -0.011 0.000 1.100 518 L CA 0.989 55.810 54.840 -0.032 0.000 0.765 518 L CB -0.465 41.588 42.059 -0.010 0.000 0.904 518 L HN 0.241 nan 8.230 nan 0.000 0.437 519 R N 0.566 121.066 120.500 0.001 0.000 2.154 519 R HA -0.224 4.115 4.340 -0.001 0.000 0.248 519 R C 2.119 178.399 176.300 -0.033 0.000 1.155 519 R CA 1.443 57.537 56.100 -0.009 0.000 0.979 519 R CB -0.335 29.959 30.300 -0.011 0.000 0.869 519 R HN 0.435 nan 8.270 nan 0.000 0.452 520 K N 0.534 120.911 120.400 -0.037 0.000 2.360 520 K HA -0.111 4.209 4.320 -0.001 0.000 0.201 520 K C 1.852 178.388 176.600 -0.106 0.000 1.046 520 K CA 0.880 57.125 56.287 -0.070 0.000 0.940 520 K CB -0.082 32.397 32.500 -0.036 0.000 0.748 520 K HN 0.239 nan 8.250 nan 0.000 0.465 521 L N 0.600 121.797 121.223 -0.042 0.000 2.395 521 L HA -0.063 4.276 4.340 -0.001 0.000 0.218 521 L C 1.909 178.770 176.870 -0.014 0.000 1.130 521 L CA 0.352 55.195 54.840 0.006 0.000 0.826 521 L CB -0.306 41.767 42.059 0.022 0.000 0.941 521 L HN 0.173 nan 8.230 nan 0.000 0.451 522 L N -0.128 121.069 121.223 -0.044 0.000 2.191 522 L HA -0.181 4.159 4.340 -0.001 0.000 0.212 522 L C 2.716 179.524 176.870 -0.103 0.000 1.103 522 L CA 1.388 56.206 54.840 -0.038 0.000 0.769 522 L CB -0.450 41.589 42.059 -0.034 0.000 0.908 522 L HN 0.391 nan 8.230 nan 0.000 0.438 523 S N -1.240 114.315 115.700 -0.242 0.000 2.555 523 S HA -0.141 4.328 4.470 -0.001 0.000 0.230 523 S C 1.236 175.575 174.600 -0.436 0.000 0.978 523 S CA 0.487 58.470 58.200 -0.362 0.000 0.934 523 S CB -0.376 62.531 63.200 -0.488 0.000 0.766 523 S HN 0.529 nan 8.310 nan 0.000 0.533 524 Y N -0.201 120.029 120.300 -0.117 0.000 2.607 524 Y HA 0.439 4.989 4.550 -0.001 0.000 0.266 524 Y C 1.796 177.719 175.900 0.039 0.000 1.178 524 Y CA -0.431 57.603 58.100 -0.110 0.000 1.226 524 Y CB 0.469 38.684 38.460 -0.408 0.000 1.144 524 Y HN 0.242 nan 8.280 nan 0.000 0.528 525 V N 0.272 120.261 119.914 0.125 0.000 2.871 525 V HA -0.149 3.971 4.120 -0.001 0.000 0.256 525 V C 0.692 176.847 176.094 0.101 0.000 1.082 525 V CA 1.790 64.162 62.300 0.120 0.000 1.105 525 V CB 0.013 31.870 31.823 0.057 0.000 0.713 525 V HN 0.380 nan 8.190 nan 0.000 0.473 526 D N -0.469 119.982 120.400 0.086 0.000 2.462 526 D HA 0.141 4.781 4.640 -0.001 0.000 0.221 526 D C 0.148 176.505 176.300 0.096 0.000 1.173 526 D CA -0.019 54.024 54.000 0.072 0.000 0.831 526 D CB 0.278 41.101 40.800 0.039 0.000 1.001 526 D HN 0.404 nan 8.370 nan 0.000 0.499 527 D N 1.813 122.306 120.400 0.156 0.000 2.347 527 D HA 0.015 4.655 4.640 -0.001 0.000 0.235 527 D C 1.096 177.491 176.300 0.158 0.000 1.149 527 D CA -0.126 53.982 54.000 0.179 0.000 0.850 527 D CB 1.341 42.316 40.800 0.292 0.000 1.061 527 D HN -0.133 nan 8.370 nan 0.000 0.487 528 E N 2.774 123.035 120.200 0.101 0.000 2.153 528 E HA -0.162 4.187 4.350 -0.001 0.000 0.194 528 E C 1.674 178.313 176.600 0.065 0.000 0.988 528 E CA 0.696 57.138 56.400 0.070 0.000 0.811 528 E CB -0.057 29.670 29.700 0.045 0.000 0.746 528 E HN 0.623 nan 8.360 nan 0.000 0.466 529 A N 0.889 123.756 122.820 0.079 0.000 1.873 529 A HA -0.154 4.166 4.320 -0.001 0.000 0.215 529 A C 2.069 179.705 177.584 0.087 0.000 1.186 529 A CA 1.075 53.150 52.037 0.063 0.000 0.616 529 A CB -0.776 18.257 19.000 0.055 0.000 0.823 529 A HN 0.217 nan 8.150 nan 0.000 0.442 530 F N 0.566 120.480 119.950 -0.059 0.000 2.102 530 F HA -0.119 4.408 4.527 -0.001 0.000 0.298 530 F C 2.036 177.816 175.800 -0.033 0.000 1.105 530 F CA 1.357 59.309 58.000 -0.081 0.000 1.239 530 F CB -0.326 38.605 39.000 -0.115 0.000 0.991 530 F HN 0.164 nan 8.300 nan 0.000 0.474 531 I N -0.047 120.558 120.570 0.060 0.000 2.151 531 I HA -0.364 3.806 4.170 -0.001 0.000 0.243 531 I C 2.770 178.836 176.117 -0.084 0.000 1.080 531 I CA 1.622 62.907 61.300 -0.026 0.000 1.339 531 I CB -0.572 37.451 38.000 0.039 0.000 1.039 531 I HN 0.093 nan 8.210 nan 0.000 0.409 532 R N 0.995 121.463 120.500 -0.054 0.000 2.073 532 R HA -0.199 4.141 4.340 -0.001 0.000 0.234 532 R C 1.730 177.969 176.300 -0.102 0.000 1.134 532 R CA 2.143 58.207 56.100 -0.060 0.000 0.952 532 R CB -0.389 29.892 30.300 -0.031 0.000 0.850 532 R HN 0.332 nan 8.270 nan 0.000 0.433 533 D N 0.137 120.451 120.400 -0.144 0.000 2.117 533 D HA -0.103 4.537 4.640 -0.001 0.000 0.198 533 D C 2.050 178.204 176.300 -0.243 0.000 0.982 533 D CA 1.036 54.931 54.000 -0.176 0.000 0.828 533 D CB -0.200 40.496 40.800 -0.173 0.000 0.967 533 D HN 0.066 nan 8.370 nan 0.000 0.464 534 V N 1.629 121.311 119.914 -0.388 0.000 2.287 534 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 534 V C 2.560 178.552 176.094 -0.170 0.000 1.053 534 V CA 2.018 64.108 62.300 -0.351 0.000 1.027 534 V CB -0.837 30.718 31.823 -0.447 0.000 0.646 534 V HN 0.191 nan 8.190 nan 0.000 0.447 535 A N -0.188 122.556 122.820 -0.127 0.000 1.902 535 A HA -0.261 4.059 4.320 -0.001 0.000 0.217 535 A C 2.344 179.883 177.584 -0.075 0.000 1.181 535 A CA 2.144 54.138 52.037 -0.071 0.000 0.623 535 A CB -0.517 18.447 19.000 -0.059 0.000 0.818 535 A HN 0.572 nan 8.150 nan 0.000 0.443 536 K N -0.126 120.224 120.400 -0.083 0.000 2.032 536 K HA -0.123 4.196 4.320 -0.001 0.000 0.209 536 K C 1.764 178.327 176.600 -0.062 0.000 1.048 536 K CA 1.807 58.054 56.287 -0.067 0.000 0.927 536 K CB -0.352 32.111 32.500 -0.063 0.000 0.712 536 K HN 0.196 nan 8.250 nan 0.000 0.441 537 V N 1.707 121.576 119.914 -0.075 0.000 2.332 537 V HA -0.240 3.880 4.120 -0.001 0.000 0.248 537 V C 2.445 178.513 176.094 -0.043 0.000 1.055 537 V CA 2.123 64.388 62.300 -0.058 0.000 1.038 537 V CB -0.513 31.265 31.823 -0.074 0.000 0.651 537 V HN 0.391 nan 8.190 nan 0.000 0.450 538 K N 0.449 120.821 120.400 -0.047 0.000 2.097 538 K HA -0.206 4.113 4.320 -0.001 0.000 0.205 538 K C 2.114 178.678 176.600 -0.062 0.000 1.050 538 K CA 1.678 57.944 56.287 -0.036 0.000 0.938 538 K CB -0.383 32.111 32.500 -0.011 0.000 0.718 538 K HN 0.444 nan 8.250 nan 0.000 0.442 539 Q N 0.984 120.743 119.800 -0.068 0.000 2.083 539 Q HA -0.064 4.275 4.340 -0.001 0.000 0.198 539 Q C 1.601 177.572 176.000 -0.048 0.000 0.969 539 Q CA 1.825 57.578 55.803 -0.083 0.000 0.838 539 Q CB -0.085 28.609 28.738 -0.072 0.000 0.900 539 Q HN 0.480 nan 8.270 nan 0.000 0.436 540 E N -0.118 120.066 120.200 -0.027 0.000 2.070 540 E HA -0.203 4.147 4.350 -0.001 0.000 0.197 540 E C 1.749 178.365 176.600 0.025 0.000 1.004 540 E CA 1.277 57.676 56.400 -0.001 0.000 0.805 540 E CB -0.141 29.557 29.700 -0.004 0.000 0.744 540 E HN 0.440 nan 8.360 nan 0.000 0.451 541 N N 0.833 119.545 118.700 0.020 0.000 2.166 541 N HA -0.141 4.599 4.740 -0.001 0.000 0.186 541 N C 1.475 177.053 175.510 0.114 0.000 1.019 541 N CA 1.063 54.147 53.050 0.056 0.000 0.856 541 N CB -0.111 38.393 38.487 0.028 0.000 0.993 541 N HN 0.156 nan 8.380 nan 0.000 0.426 542 K N 0.614 121.038 120.400 0.040 0.000 2.025 542 K HA 0.063 4.382 4.320 -0.001 0.000 0.207 542 K C 2.092 178.807 176.600 0.192 0.000 1.049 542 K CA 0.576 56.897 56.287 0.055 0.000 0.933 542 K CB -0.182 32.074 32.500 -0.407 0.000 0.714 542 K HN 0.090 nan 8.250 nan 0.000 0.438 543 L N 1.315 122.591 121.223 0.089 0.000 2.042 543 L HA -0.230 4.110 4.340 -0.001 0.000 0.210 543 L C 2.616 179.565 176.870 0.131 0.000 1.076 543 L CA 1.424 56.322 54.840 0.097 0.000 0.749 543 L CB -0.382 41.708 42.059 0.051 0.000 0.893 543 L HN 0.224 nan 8.230 nan 0.000 0.432 544 K N -0.609 119.878 120.400 0.146 0.000 2.155 544 K HA -0.187 4.133 4.320 -0.001 0.000 0.203 544 K C 2.128 178.868 176.600 0.234 0.000 1.052 544 K CA 1.129 57.510 56.287 0.157 0.000 0.948 544 K CB -0.000 32.581 32.500 0.136 0.000 0.728 544 K HN 0.084 nan 8.250 nan 0.000 0.448 545 F N 1.203 121.244 119.950 0.151 0.000 2.163 545 F HA -0.025 4.501 4.527 -0.001 0.000 0.297 545 F C 2.025 177.958 175.800 0.221 0.000 1.094 545 F CA 1.067 59.180 58.000 0.188 0.000 1.290 545 F CB -0.414 38.707 39.000 0.200 0.000 1.017 545 F HN 0.001 nan 8.300 nan 0.000 0.483 546 A N 0.478 123.415 122.820 0.196 0.000 1.917 546 A HA -0.158 4.161 4.320 -0.001 0.000 0.219 546 A C 2.428 179.994 177.584 -0.031 0.000 1.182 546 A CA 2.089 54.152 52.037 0.043 0.000 0.633 546 A CB -1.578 17.479 19.000 0.095 0.000 0.819 546 A HN 0.475 nan 8.150 nan 0.000 0.448 547 A N -1.445 121.393 122.820 0.030 0.000 1.902 547 A HA -0.096 4.223 4.320 -0.001 0.000 0.217 547 A C 2.144 179.722 177.584 -0.009 0.000 1.181 547 A CA 1.676 53.724 52.037 0.018 0.000 0.623 547 A CB -0.882 18.148 19.000 0.051 0.000 0.818 547 A HN 0.827 nan 8.150 nan 0.000 0.443 548 Y N 0.518 120.745 120.300 -0.122 0.000 2.128 548 Y HA -0.211 4.339 4.550 -0.001 0.000 0.284 548 Y C 1.946 177.744 175.900 -0.170 0.000 1.154 548 Y CA 2.008 60.020 58.100 -0.146 0.000 1.149 548 Y CB -0.357 38.001 38.460 -0.171 0.000 0.976 548 Y HN 0.204 nan 8.280 nan 0.000 0.505 549 L N 0.041 121.114 121.223 -0.251 0.000 2.083 549 L HA -0.200 4.139 4.340 -0.001 0.000 0.209 549 L C 2.496 179.284 176.870 -0.138 0.000 1.083 549 L CA 1.825 56.539 54.840 -0.210 0.000 0.752 549 L CB -0.510 41.418 42.059 -0.219 0.000 0.899 549 L HN 0.286 nan 8.230 nan 0.000 0.433 550 E N 0.333 120.460 120.200 -0.121 0.000 2.028 550 E HA -0.194 4.156 4.350 -0.001 0.000 0.191 550 E C 2.287 178.826 176.600 -0.101 0.000 0.988 550 E CA 1.173 57.534 56.400 -0.065 0.000 0.799 550 E CB -0.020 29.664 29.700 -0.027 0.000 0.755 550 E HN 0.106 nan 8.360 nan 0.000 0.447 551 R N -0.126 120.288 120.500 -0.144 0.000 2.115 551 R HA -0.202 4.137 4.340 -0.001 0.000 0.239 551 R C 2.046 178.190 176.300 -0.259 0.000 1.133 551 R CA 1.997 57.994 56.100 -0.171 0.000 0.935 551 R CB -0.229 29.964 30.300 -0.179 0.000 0.853 551 R HN 0.133 nan 8.270 nan 0.000 0.433 552 E N -1.564 118.372 120.200 -0.440 0.000 2.276 552 E HA -0.022 4.328 4.350 -0.001 0.000 0.193 552 E C 0.304 176.409 176.600 -0.824 0.000 0.983 552 E CA 0.864 56.857 56.400 -0.678 0.000 0.861 552 E CB 0.382 29.449 29.700 -1.055 0.000 0.817 552 E HN 0.333 nan 8.360 nan 0.000 0.485 553 Y N -0.411 119.759 120.300 -0.217 0.000 2.610 553 Y HA 0.328 4.878 4.550 -0.001 0.000 0.254 553 Y C -0.091 175.767 175.900 -0.071 0.000 1.110 553 Y CA -0.465 57.565 58.100 -0.116 0.000 1.238 553 Y CB 0.566 38.963 38.460 -0.104 0.000 1.322 553 Y HN -0.203 nan 8.280 nan 0.000 0.547 554 K N 0.568 120.980 120.400 0.020 0.000 3.003 554 K HA -0.169 4.151 4.320 -0.001 0.000 0.257 554 K C -0.568 176.072 176.600 0.066 0.000 0.958 554 K CA 0.456 56.762 56.287 0.031 0.000 0.707 554 K CB -1.611 30.905 32.500 0.026 0.000 1.279 554 K HN 0.027 nan 8.250 nan 0.000 0.479 555 V N 0.867 120.822 119.914 0.069 0.000 2.439 555 V HA 0.138 4.257 4.120 -0.001 0.000 0.282 555 V C 0.098 176.223 176.094 0.052 0.000 1.039 555 V CA -0.626 61.708 62.300 0.057 0.000 0.913 555 V CB 1.231 33.068 31.823 0.022 0.000 0.983 555 V HN 0.270 nan 8.190 nan 0.000 0.460 556 H N 5.555 124.616 119.070 -0.014 0.000 2.519 556 H HA 0.680 5.236 4.556 -0.001 0.000 0.316 556 H C -0.336 174.983 175.328 -0.015 0.000 1.065 556 H CA -0.604 55.439 56.048 -0.009 0.000 1.264 556 H CB 1.045 30.806 29.762 -0.002 0.000 1.413 556 H HN 0.682 nan 8.280 nan 0.000 0.465 557 I N 1.998 122.319 120.570 -0.415 0.000 2.646 557 I HA 0.410 4.579 4.170 -0.001 0.000 0.299 557 I C -0.473 175.490 176.117 -0.257 0.000 1.036 557 I CA -1.359 59.803 61.300 -0.229 0.000 1.074 557 I CB 1.929 39.824 38.000 -0.174 0.000 1.258 557 I HN 0.504 nan 8.210 nan 0.000 0.430 558 N N 7.207 125.904 118.700 -0.004 0.000 2.399 558 N HA 0.234 4.973 4.740 -0.001 0.000 0.259 558 N C -1.598 174.012 175.510 0.168 0.000 1.160 558 N CA -2.318 50.788 53.050 0.095 0.000 0.946 558 N CB 0.753 39.308 38.487 0.114 0.000 1.156 558 N HN 0.467 nan 8.380 nan 0.000 0.489 559 P HA -0.064 nan 4.420 nan 0.000 0.218 559 P C -0.286 177.038 177.300 0.041 0.000 1.149 559 P CA 0.943 64.117 63.100 0.124 0.000 0.817 559 P CB 0.262 31.997 31.700 0.058 0.000 0.785 560 N N 0.544 119.279 118.700 0.058 0.000 3.091 560 N HA 0.088 4.828 4.740 -0.001 0.000 0.301 560 N C -0.170 175.381 175.510 0.068 0.000 1.325 560 N CA 0.059 53.135 53.050 0.044 0.000 1.143 560 N CB -0.470 38.048 38.487 0.051 0.000 1.450 560 N HN 0.228 nan 8.380 nan 0.000 0.542 561 S N -1.394 114.355 115.700 0.081 0.000 2.632 561 S HA 0.465 4.934 4.470 -0.001 0.000 0.289 561 S C -0.371 174.212 174.600 -0.028 0.000 1.115 561 S CA -1.071 57.163 58.200 0.055 0.000 0.889 561 S CB 1.646 64.913 63.200 0.111 0.000 1.116 561 S HN 0.240 nan 8.310 nan 0.000 0.486 562 L N 2.326 123.364 121.223 -0.307 0.000 2.433 562 L HA 0.382 4.721 4.340 -0.001 0.000 0.275 562 L C -1.231 175.623 176.870 -0.027 0.000 1.128 562 L CA -0.544 53.943 54.840 -0.588 0.000 0.875 562 L CB -0.265 41.158 42.059 -1.060 0.000 1.171 562 L HN 0.634 nan 8.230 nan 0.000 0.463 563 F N 3.766 123.607 119.950 -0.182 0.000 2.434 563 F HA 0.189 4.716 4.527 -0.001 0.000 0.358 563 F C 0.404 176.154 175.800 -0.083 0.000 1.136 563 F CA -1.019 56.928 58.000 -0.089 0.000 1.157 563 F CB 0.214 39.199 39.000 -0.025 0.000 1.167 563 F HN 0.430 nan 8.300 nan 0.000 0.539 564 D N 3.985 124.406 120.400 0.035 0.000 2.427 564 D HA 0.432 5.071 4.640 -0.001 0.000 0.226 564 D C -1.209 175.049 176.300 -0.070 0.000 1.076 564 D CA -0.245 53.735 54.000 -0.034 0.000 0.849 564 D CB 1.077 41.832 40.800 -0.074 0.000 1.052 564 D HN 0.149 nan 8.370 nan 0.000 0.515 565 V N 4.322 124.183 119.914 -0.088 0.000 2.444 565 V HA 0.386 4.506 4.120 -0.001 0.000 0.294 565 V C -0.172 175.792 176.094 -0.216 0.000 1.022 565 V CA -0.906 61.328 62.300 -0.112 0.000 0.850 565 V CB 1.511 33.351 31.823 0.028 0.000 0.992 565 V HN 0.544 nan 8.190 nan 0.000 0.426 566 Q N 3.912 123.593 119.800 -0.198 0.000 2.413 566 Q HA 0.654 4.994 4.340 -0.001 0.000 0.258 566 Q C -1.174 174.667 176.000 -0.265 0.000 1.037 566 Q CA -0.486 55.182 55.803 -0.225 0.000 0.764 566 Q CB 1.806 30.444 28.738 -0.167 0.000 1.217 566 Q HN 0.832 nan 8.270 nan 0.000 0.490 567 V N 2.111 121.853 119.914 -0.287 0.000 2.487 567 V HA 0.860 4.979 4.120 -0.001 0.000 0.298 567 V C -0.900 174.944 176.094 -0.418 0.000 1.028 567 V CA -0.627 61.325 62.300 -0.581 0.000 0.860 567 V CB 1.322 32.529 31.823 -1.026 0.000 0.991 567 V HN 0.836 nan 8.190 nan 0.000 0.427 568 K N 2.462 122.668 120.400 -0.323 0.000 3.076 568 K HA 0.324 4.643 4.320 -0.001 0.000 0.314 568 K C -1.320 175.325 176.600 0.074 0.000 1.113 568 K CA -1.071 55.225 56.287 0.015 0.000 0.860 568 K CB 0.852 33.342 32.500 -0.017 0.000 1.435 568 K HN 0.500 nan 8.250 nan 0.000 0.374 569 R N 1.014 121.620 120.500 0.177 0.000 2.638 569 R HA 0.127 4.467 4.340 -0.001 0.000 0.268 569 R C 0.339 176.697 176.300 0.096 0.000 1.006 569 R CA -0.175 56.035 56.100 0.184 0.000 1.088 569 R CB -0.185 30.291 30.300 0.293 0.000 0.950 569 R HN 0.457 nan 8.270 nan 0.000 0.419 570 I N 5.350 125.907 120.570 -0.022 0.000 2.379 570 I HA 0.129 4.299 4.170 -0.001 0.000 0.290 570 I C 0.746 176.678 176.117 -0.309 0.000 1.063 570 I CA 0.497 61.728 61.300 -0.114 0.000 1.351 570 I CB -0.195 37.748 38.000 -0.094 0.000 1.410 570 I HN 0.306 nan 8.210 nan 0.000 0.505 571 H N 4.281 123.288 119.070 -0.106 0.000 3.012 571 H HA 0.243 4.798 4.556 -0.001 0.000 0.367 571 H C 0.402 175.625 175.328 -0.176 0.000 1.211 571 H CA -0.537 55.491 56.048 -0.032 0.000 1.139 571 H CB 2.025 31.698 29.762 -0.149 0.000 1.838 571 H HN 0.474 nan 8.280 nan 0.000 0.550 572 E N 0.792 121.023 120.200 0.052 0.000 2.110 572 E HA -0.205 4.144 4.350 -0.001 0.000 0.193 572 E C 1.547 177.864 176.600 -0.472 0.000 0.988 572 E CA 1.583 57.914 56.400 -0.115 0.000 0.804 572 E CB -0.018 29.752 29.700 0.117 0.000 0.745 572 E HN 0.567 nan 8.360 nan 0.000 0.458 573 Y N 0.671 120.420 120.300 -0.918 0.000 2.352 573 Y HA -0.034 4.515 4.550 -0.001 0.000 0.292 573 Y C 1.569 177.260 175.900 -0.349 0.000 1.136 573 Y CA 0.845 58.352 58.100 -0.987 0.000 1.227 573 Y CB -0.016 37.906 38.460 -0.897 0.000 0.991 573 Y HN -0.204 nan 8.280 nan 0.000 0.545 574 K N 0.575 120.593 120.400 -0.636 0.000 2.418 574 K HA 0.104 4.424 4.320 -0.001 0.000 0.195 574 K C 0.147 176.604 176.600 -0.237 0.000 1.035 574 K CA 0.405 56.411 56.287 -0.469 0.000 1.003 574 K CB 0.041 32.247 32.500 -0.490 0.000 0.793 574 K HN 0.216 nan 8.250 nan 0.000 0.494 575 R N 0.488 120.873 120.500 -0.192 0.000 3.336 575 R HA -0.227 4.112 4.340 -0.001 0.000 0.260 575 R C 0.363 176.603 176.300 -0.100 0.000 1.032 575 R CA 0.181 56.214 56.100 -0.112 0.000 0.693 575 R CB -1.965 28.286 30.300 -0.082 0.000 1.134 575 R HN 0.254 nan 8.270 nan 0.000 0.433 576 Q N 0.196 119.933 119.800 -0.105 0.000 2.248 576 Q HA -0.128 4.212 4.340 -0.001 0.000 0.208 576 Q C 1.836 177.801 176.000 -0.058 0.000 0.984 576 Q CA 1.635 57.390 55.803 -0.079 0.000 0.875 576 Q CB -0.018 28.675 28.738 -0.075 0.000 0.910 576 Q HN 0.610 nan 8.270 nan 0.000 0.433 577 L N -0.693 120.497 121.223 -0.055 0.000 2.093 577 L HA -0.147 4.192 4.340 -0.001 0.000 0.208 577 L C 2.008 178.898 176.870 0.035 0.000 1.085 577 L CA 0.395 55.217 54.840 -0.031 0.000 0.755 577 L CB -0.331 41.717 42.059 -0.018 0.000 0.904 577 L HN 0.314 nan 8.230 nan 0.000 0.435 578 L N 0.183 121.428 121.223 0.038 0.000 2.017 578 L HA -0.256 4.083 4.340 -0.001 0.000 0.208 578 L C 2.015 179.002 176.870 0.196 0.000 1.073 578 L CA 1.972 56.868 54.840 0.094 0.000 0.745 578 L CB -0.915 41.102 42.059 -0.071 0.000 0.894 578 L HN 0.276 nan 8.230 nan 0.000 0.432 579 N N -1.633 117.134 118.700 0.111 0.000 2.104 579 N HA -0.248 4.491 4.740 -0.001 0.000 0.190 579 N C 1.934 177.533 175.510 0.147 0.000 1.024 579 N CA 1.718 54.889 53.050 0.202 0.000 0.853 579 N CB -0.134 38.395 38.487 0.069 0.000 1.008 579 N HN 0.514 nan 8.380 nan 0.000 0.424 580 C N 0.543 119.867 119.300 0.040 0.000 2.413 580 C HA -0.085 4.375 4.460 -0.001 0.000 0.276 580 C C 2.598 177.586 174.990 -0.004 0.000 1.236 580 C CA 0.377 59.365 59.018 -0.049 0.000 1.735 580 C CB -1.268 26.389 27.740 -0.140 0.000 2.031 580 C HN 0.498 nan 8.230 nan 0.000 0.474 581 L N -0.252 121.034 121.223 0.105 0.000 2.042 581 L HA -0.233 4.106 4.340 -0.001 0.000 0.210 581 L C 2.757 179.790 176.870 0.271 0.000 1.076 581 L CA 1.980 56.934 54.840 0.190 0.000 0.749 581 L CB -1.092 41.156 42.059 0.315 0.000 0.893 581 L HN 0.596 nan 8.230 nan 0.000 0.432 582 H N -0.068 119.111 119.070 0.181 0.000 2.321 582 H HA -0.133 4.422 4.556 -0.001 0.000 0.300 582 H C 2.255 177.568 175.328 -0.024 0.000 1.087 582 H CA 1.906 57.966 56.048 0.020 0.000 1.319 582 H CB 0.318 29.985 29.762 -0.159 0.000 1.379 582 H HN 0.102 nan 8.280 nan 0.000 0.501 583 V N 1.554 121.369 119.914 -0.164 0.000 2.332 583 V HA -0.278 3.842 4.120 -0.001 0.000 0.248 583 V C 2.818 178.833 176.094 -0.131 0.000 1.055 583 V CA 1.890 64.061 62.300 -0.215 0.000 1.038 583 V CB -0.517 31.230 31.823 -0.127 0.000 0.651 583 V HN 0.393 nan 8.190 nan 0.000 0.450 584 I N -0.187 120.342 120.570 -0.068 0.000 2.315 584 I HA -0.221 3.948 4.170 -0.001 0.000 0.248 584 I C 2.533 178.712 176.117 0.104 0.000 1.117 584 I CA 1.693 63.022 61.300 0.049 0.000 1.404 584 I CB -0.707 37.295 38.000 0.004 0.000 1.071 584 I HN 0.320 nan 8.210 nan 0.000 0.419 585 T N 1.551 116.127 114.554 0.036 0.000 2.665 585 T HA -0.184 4.165 4.350 -0.001 0.000 0.268 585 T C 1.940 176.601 174.700 -0.064 0.000 1.035 585 T CA 1.438 63.554 62.100 0.026 0.000 1.151 585 T CB -0.373 68.538 68.868 0.073 0.000 0.862 585 T HN 0.264 nan 8.240 nan 0.000 0.438 586 L N -0.518 120.590 121.223 -0.192 0.000 2.083 586 L HA -0.080 4.260 4.340 -0.001 0.000 0.209 586 L C 2.395 179.230 176.870 -0.058 0.000 1.083 586 L CA 1.474 56.202 54.840 -0.186 0.000 0.752 586 L CB -0.583 41.297 42.059 -0.299 0.000 0.899 586 L HN 0.297 nan 8.230 nan 0.000 0.433 587 Y N 1.303 121.546 120.300 -0.095 0.000 2.163 587 Y HA -0.223 4.326 4.550 -0.001 0.000 0.288 587 Y C 2.465 178.358 175.900 -0.012 0.000 1.136 587 Y CA 1.685 59.771 58.100 -0.023 0.000 1.147 587 Y CB -0.162 38.336 38.460 0.063 0.000 0.987 587 Y HN 0.191 nan 8.280 nan 0.000 0.509 588 N N 0.415 119.113 118.700 -0.004 0.000 2.188 588 N HA -0.113 4.627 4.740 -0.001 0.000 0.184 588 N C 1.865 177.283 175.510 -0.153 0.000 1.018 588 N CA 1.428 54.406 53.050 -0.120 0.000 0.858 588 N CB -0.388 38.097 38.487 -0.003 0.000 0.989 588 N HN 0.418 nan 8.380 nan 0.000 0.426 589 R N 0.517 120.953 120.500 -0.107 0.000 2.096 589 R HA 0.019 4.359 4.340 -0.001 0.000 0.235 589 R C 2.199 178.419 176.300 -0.133 0.000 1.127 589 R CA 0.829 56.866 56.100 -0.105 0.000 0.968 589 R CB -0.337 29.910 30.300 -0.088 0.000 0.861 589 R HN 0.232 nan 8.270 nan 0.000 0.440 590 I N 0.892 121.362 120.570 -0.166 0.000 2.179 590 I HA -0.284 3.886 4.170 -0.001 0.000 0.242 590 I C 2.129 178.129 176.117 -0.194 0.000 1.088 590 I CA 1.262 62.459 61.300 -0.172 0.000 1.357 590 I CB -0.102 37.795 38.000 -0.172 0.000 1.051 590 I HN 0.019 nan 8.210 nan 0.000 0.409 591 K N 0.846 121.072 120.400 -0.290 0.000 2.148 591 K HA -0.147 4.173 4.320 -0.001 0.000 0.204 591 K C 2.028 178.527 176.600 -0.168 0.000 1.050 591 K CA 1.275 57.400 56.287 -0.269 0.000 0.942 591 K CB -0.303 31.959 32.500 -0.398 0.000 0.724 591 K HN 0.309 nan 8.250 nan 0.000 0.446 592 K N 0.834 121.144 120.400 -0.150 0.000 2.057 592 K HA -0.085 4.234 4.320 -0.001 0.000 0.206 592 K C 0.280 176.832 176.600 -0.079 0.000 1.050 592 K CA 1.100 57.326 56.287 -0.102 0.000 0.935 592 K CB 0.171 32.617 32.500 -0.090 0.000 0.715 592 K HN 0.176 nan 8.250 nan 0.000 0.439 593 E N -0.141 120.012 120.200 -0.080 0.000 3.037 593 E HA 0.108 4.457 4.350 -0.001 0.000 0.220 593 E C -2.324 174.239 176.600 -0.062 0.000 1.142 593 E CA -1.481 54.884 56.400 -0.058 0.000 0.888 593 E CB 1.492 31.164 29.700 -0.046 0.000 1.329 593 E HN 0.007 nan 8.360 nan 0.000 0.409 594 P HA -0.186 nan 4.420 nan 0.000 0.216 594 P C 0.768 178.047 177.300 -0.034 0.000 1.150 594 P CA 1.097 64.163 63.100 -0.058 0.000 0.843 594 P CB 0.263 31.933 31.700 -0.049 0.000 0.787 595 N N -0.873 117.816 118.700 -0.019 0.000 2.463 595 N HA -0.056 4.684 4.740 -0.001 0.000 0.181 595 N C 0.705 176.230 175.510 0.025 0.000 1.078 595 N CA 0.492 53.544 53.050 0.004 0.000 0.902 595 N CB -0.212 38.278 38.487 0.004 0.000 0.970 595 N HN 0.272 nan 8.380 nan 0.000 0.451 596 K N 1.007 121.414 120.400 0.011 0.000 2.312 596 K HA 0.057 4.376 4.320 -0.001 0.000 0.287 596 K C -0.615 176.015 176.600 0.049 0.000 1.062 596 K CA -0.485 55.822 56.287 0.035 0.000 0.934 596 K CB 0.277 32.779 32.500 0.003 0.000 1.027 596 K HN -0.164 nan 8.250 nan 0.000 0.478 597 F N 5.801 125.738 119.950 -0.023 0.000 2.578 597 F HA 0.117 4.643 4.527 -0.001 0.000 0.376 597 F C -0.406 175.378 175.800 -0.026 0.000 1.085 597 F CA 0.021 58.008 58.000 -0.021 0.000 1.260 597 F CB 0.536 39.528 39.000 -0.015 0.000 1.095 597 F HN 0.244 nan 8.300 nan 0.000 0.573 598 V N 4.473 123.828 119.914 -0.932 0.000 2.823 598 V HA 0.539 4.659 4.120 -0.001 0.000 0.312 598 V C -0.627 174.792 176.094 -1.125 0.000 1.072 598 V CA -1.238 60.623 62.300 -0.732 0.000 0.937 598 V CB 1.084 32.681 31.823 -0.377 0.000 1.013 598 V HN 0.588 nan 8.190 nan 0.000 0.430 599 V N 4.936 124.512 119.914 -0.563 0.000 2.458 599 V HA 0.180 4.299 4.120 -0.001 0.000 0.287 599 V C -1.795 174.118 176.094 -0.301 0.000 1.009 599 V CA -0.468 61.650 62.300 -0.302 0.000 1.091 599 V CB 0.365 32.135 31.823 -0.089 0.000 0.960 599 V HN 0.897 nan 8.190 nan 0.000 0.476 600 P HA 0.263 nan 4.420 nan 0.000 0.266 600 P C -0.451 176.744 177.300 -0.175 0.000 1.195 600 P CA 0.064 63.064 63.100 -0.167 0.000 0.768 600 P CB 0.484 32.141 31.700 -0.072 0.000 0.838 601 R N 0.845 121.259 120.500 -0.144 0.000 2.628 601 R HA 0.514 4.853 4.340 -0.001 0.000 0.288 601 R C -0.718 175.534 176.300 -0.080 0.000 0.980 601 R CA -0.558 55.460 56.100 -0.137 0.000 0.891 601 R CB 1.722 31.923 30.300 -0.165 0.000 1.188 601 R HN 0.285 nan 8.270 nan 0.000 0.450 602 T N 2.333 116.854 114.554 -0.054 0.000 2.801 602 T HA 0.169 4.518 4.350 -0.001 0.000 0.306 602 T C -0.469 174.146 174.700 -0.141 0.000 1.020 602 T CA -0.508 61.521 62.100 -0.118 0.000 0.948 602 T CB 0.938 69.660 68.868 -0.243 0.000 0.962 602 T HN 0.333 nan 8.240 nan 0.000 0.465 603 V N 5.739 125.581 119.914 -0.120 0.000 2.406 603 V HA 0.617 4.737 4.120 -0.001 0.000 0.272 603 V C -0.436 175.587 176.094 -0.119 0.000 1.043 603 V CA -0.575 61.660 62.300 -0.108 0.000 0.915 603 V CB 0.446 32.220 31.823 -0.081 0.000 0.988 603 V HN 0.842 nan 8.190 nan 0.000 0.466 604 M N 7.656 127.174 119.600 -0.136 0.000 2.227 604 M HA 0.603 5.082 4.480 -0.001 0.000 0.335 604 M C -0.975 175.220 176.300 -0.175 0.000 1.053 604 M CA -0.283 54.924 55.300 -0.155 0.000 0.973 604 M CB 1.933 34.430 32.600 -0.171 0.000 1.623 604 M HN 0.518 nan 8.290 nan 0.000 0.434 605 I N 1.632 122.077 120.570 -0.208 0.000 2.545 605 I HA 0.853 5.022 4.170 -0.001 0.000 0.292 605 I C 0.107 175.845 176.117 -0.632 0.000 1.040 605 I CA -0.673 60.472 61.300 -0.258 0.000 1.068 605 I CB 2.377 40.342 38.000 -0.059 0.000 1.251 605 I HN 0.802 nan 8.210 nan 0.000 0.424 606 G N 2.706 111.116 108.800 -0.651 0.000 2.690 606 G HA2 0.820 4.780 3.960 -0.001 0.000 0.293 606 G HA3 0.820 4.780 3.960 -0.001 0.000 0.293 606 G C -0.995 173.621 174.900 -0.474 0.000 1.399 606 G CA -0.692 43.884 45.100 -0.873 0.000 0.890 606 G HN 1.025 nan 8.290 nan 0.000 0.485 607 G N -0.375 108.327 108.800 -0.163 0.000 2.337 607 G HA2 0.383 4.343 3.960 -0.001 0.000 0.310 607 G HA3 0.383 4.343 3.960 -0.001 0.000 0.310 607 G C -1.279 173.778 174.900 0.262 0.000 1.534 607 G CA -1.033 44.146 45.100 0.132 0.000 0.982 607 G HN 0.607 nan 8.290 nan 0.000 0.672 608 K N -0.097 120.435 120.400 0.220 0.000 2.110 608 K HA 0.758 5.078 4.320 -0.001 0.000 0.263 608 K C 0.324 177.055 176.600 0.219 0.000 0.975 608 K CA -0.161 56.269 56.287 0.237 0.000 0.895 608 K CB 2.019 34.539 32.500 0.033 0.000 1.060 608 K HN 0.903 nan 8.250 nan 0.000 0.448 609 A N 1.428 124.407 122.820 0.265 0.000 2.312 609 A HA 0.625 4.944 4.320 -0.001 0.000 0.326 609 A C -0.427 177.323 177.584 0.277 0.000 1.172 609 A CA -0.705 51.422 52.037 0.151 0.000 0.821 609 A CB 0.946 19.948 19.000 0.003 0.000 1.166 609 A HN 0.782 nan 8.150 nan 0.000 0.493 610 A N 3.597 126.555 122.820 0.230 0.000 2.546 610 A HA 0.441 4.760 4.320 -0.001 0.000 0.243 610 A C -1.323 176.317 177.584 0.093 0.000 1.063 610 A CA -0.716 51.455 52.037 0.223 0.000 0.757 610 A CB -0.429 18.689 19.000 0.198 0.000 0.991 610 A HN 0.611 nan 8.150 nan 0.000 0.503 611 P HA -0.187 nan 4.420 nan 0.000 0.218 611 P C 1.399 178.681 177.300 -0.031 0.000 1.150 611 P CA 2.143 65.159 63.100 -0.141 0.000 0.841 611 P CB 0.212 31.779 31.700 -0.222 0.000 0.784 612 G N -3.382 105.432 108.800 0.023 0.000 2.986 612 G HA2 -0.123 3.837 3.960 -0.001 0.000 0.213 612 G HA3 -0.123 3.837 3.960 -0.001 0.000 0.213 612 G C -0.027 174.928 174.900 0.092 0.000 1.156 612 G CA -0.031 45.093 45.100 0.040 0.000 0.763 612 G HN 0.177 nan 8.290 nan 0.000 0.547 613 Y N 2.566 122.825 120.300 -0.069 0.000 2.568 613 Y HA 0.173 4.722 4.550 -0.001 0.000 0.338 613 Y C 1.536 177.436 175.900 0.001 0.000 1.245 613 Y CA -1.757 56.294 58.100 -0.081 0.000 1.667 613 Y CB -0.958 37.424 38.460 -0.130 0.000 1.568 613 Y HN 0.389 nan 8.280 nan 0.000 0.471 614 H N 3.325 122.452 119.070 0.096 0.000 2.362 614 H HA -0.278 4.277 4.556 -0.001 0.000 0.294 614 H C 1.705 177.013 175.328 -0.033 0.000 1.113 614 H CA 2.445 58.512 56.048 0.032 0.000 1.253 614 H CB 0.368 30.158 29.762 0.047 0.000 1.363 614 H HN 0.617 nan 8.280 nan 0.000 0.494 615 M N 0.797 120.322 119.600 -0.125 0.000 2.132 615 M HA -0.008 4.472 4.480 -0.001 0.000 0.263 615 M C 2.567 178.593 176.300 -0.456 0.000 1.065 615 M CA 1.819 56.966 55.300 -0.255 0.000 1.122 615 M CB -0.640 31.917 32.600 -0.071 0.000 1.365 615 M HN 0.293 nan 8.290 nan 0.000 0.411 616 A N -0.172 122.153 122.820 -0.826 0.000 1.933 616 A HA -0.191 4.128 4.320 -0.001 0.000 0.218 616 A C 2.213 179.578 177.584 -0.364 0.000 1.175 616 A CA 1.912 53.520 52.037 -0.714 0.000 0.628 616 A CB -0.670 17.752 19.000 -0.963 0.000 0.814 616 A HN 0.595 nan 8.150 nan 0.000 0.444 617 K N -1.186 119.051 120.400 -0.272 0.000 2.097 617 K HA -0.038 4.282 4.320 -0.001 0.000 0.205 617 K C 1.989 178.507 176.600 -0.135 0.000 1.050 617 K CA 1.239 57.449 56.287 -0.127 0.000 0.938 617 K CB -0.196 32.300 32.500 -0.006 0.000 0.718 617 K HN 0.340 nan 8.250 nan 0.000 0.442 618 M N 0.489 119.966 119.600 -0.206 0.000 2.175 618 M HA -0.102 4.378 4.480 -0.001 0.000 0.264 618 M C 2.118 178.322 176.300 -0.161 0.000 1.063 618 M CA 1.500 56.709 55.300 -0.151 0.000 1.119 618 M CB -0.649 31.846 32.600 -0.174 0.000 1.377 618 M HN 0.123 nan 8.290 nan 0.000 0.415 619 I N -0.214 120.226 120.570 -0.216 0.000 2.315 619 I HA -0.286 3.883 4.170 -0.001 0.000 0.248 619 I C 2.293 178.242 176.117 -0.279 0.000 1.117 619 I CA 0.966 62.128 61.300 -0.230 0.000 1.404 619 I CB -0.328 37.543 38.000 -0.215 0.000 1.071 619 I HN 0.168 nan 8.210 nan 0.000 0.419 620 I N 0.652 121.024 120.570 -0.330 0.000 2.179 620 I HA -0.308 3.861 4.170 -0.001 0.000 0.242 620 I C 2.615 178.398 176.117 -0.556 0.000 1.088 620 I CA 1.278 62.258 61.300 -0.535 0.000 1.357 620 I CB -0.320 37.318 38.000 -0.603 0.000 1.051 620 I HN 0.144 nan 8.210 nan 0.000 0.409 621 K N 1.336 121.423 120.400 -0.523 0.000 2.063 621 K HA -0.211 4.108 4.320 -0.001 0.000 0.208 621 K C 1.970 178.372 176.600 -0.331 0.000 1.048 621 K CA 1.563 57.472 56.287 -0.630 0.000 0.928 621 K CB -0.648 31.186 32.500 -1.110 0.000 0.713 621 K HN 0.156 nan 8.250 nan 0.000 0.442 622 L N 0.615 121.666 121.223 -0.286 0.000 2.083 622 L HA -0.038 4.302 4.340 -0.001 0.000 0.209 622 L C 1.938 178.554 176.870 -0.424 0.000 1.083 622 L CA 1.598 56.106 54.840 -0.552 0.000 0.752 622 L CB -0.377 41.236 42.059 -0.744 0.000 0.899 622 L HN 0.283 nan 8.230 nan 0.000 0.433 623 I N -0.586 119.787 120.570 -0.328 0.000 2.179 623 I HA -0.317 3.853 4.170 -0.001 0.000 0.242 623 I C 2.463 178.471 176.117 -0.182 0.000 1.088 623 I CA 1.828 62.995 61.300 -0.221 0.000 1.357 623 I CB -0.849 37.094 38.000 -0.096 0.000 1.051 623 I HN 0.478 nan 8.210 nan 0.000 0.409 624 T N -0.725 113.701 114.554 -0.213 0.000 2.821 624 T HA -0.087 4.263 4.350 -0.001 0.000 0.267 624 T C 1.998 176.635 174.700 -0.105 0.000 1.046 624 T CA 0.968 62.981 62.100 -0.146 0.000 1.139 624 T CB -0.539 68.208 68.868 -0.201 0.000 0.871 624 T HN 0.337 nan 8.240 nan 0.000 0.454 625 A N 1.510 124.261 122.820 -0.116 0.000 1.933 625 A HA 0.133 4.453 4.320 -0.001 0.000 0.218 625 A C 2.382 179.981 177.584 0.024 0.000 1.175 625 A CA 1.265 53.301 52.037 -0.001 0.000 0.628 625 A CB -0.843 18.258 19.000 0.169 0.000 0.814 625 A HN 0.593 nan 8.150 nan 0.000 0.444 626 I N -0.231 120.242 120.570 -0.162 0.000 2.179 626 I HA -0.220 3.950 4.170 -0.001 0.000 0.242 626 I C 2.739 178.816 176.117 -0.066 0.000 1.088 626 I CA 1.173 62.343 61.300 -0.216 0.000 1.357 626 I CB -0.718 37.008 38.000 -0.456 0.000 1.051 626 I HN 0.388 nan 8.210 nan 0.000 0.409 627 G N 0.479 109.235 108.800 -0.074 0.000 2.469 627 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.219 627 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.219 627 G C 1.301 176.223 174.900 0.036 0.000 1.150 627 G CA 1.153 46.231 45.100 -0.036 0.000 0.763 627 G HN 0.300 nan 8.290 nan 0.000 0.561 628 D N -0.056 120.390 120.400 0.075 0.000 2.149 628 D HA -0.082 4.558 4.640 -0.001 0.000 0.198 628 D C 2.736 179.139 176.300 0.172 0.000 0.990 628 D CA 0.841 54.934 54.000 0.155 0.000 0.839 628 D CB -0.165 40.659 40.800 0.040 0.000 0.948 628 D HN 0.258 nan 8.370 nan 0.000 0.460 629 V N 0.232 120.169 119.914 0.037 0.000 2.300 629 V HA -0.135 3.984 4.120 -0.001 0.000 0.241 629 V C 2.632 178.673 176.094 -0.088 0.000 1.034 629 V CA 0.724 62.968 62.300 -0.094 0.000 1.021 629 V CB -0.353 31.290 31.823 -0.301 0.000 0.662 629 V HN 0.009 nan 8.190 nan 0.000 0.458 630 V N 1.062 120.881 119.914 -0.159 0.000 2.261 630 V HA -0.234 3.886 4.120 -0.001 0.000 0.246 630 V C 2.146 178.221 176.094 -0.033 0.000 1.047 630 V CA 2.229 64.430 62.300 -0.165 0.000 1.015 630 V CB -0.868 30.866 31.823 -0.148 0.000 0.642 630 V HN 0.584 nan 8.190 nan 0.000 0.446 631 N N -0.425 118.214 118.700 -0.101 0.000 2.573 631 N HA -0.096 4.643 4.740 -0.001 0.000 0.187 631 N C 1.018 176.259 175.510 -0.448 0.000 1.107 631 N CA 0.851 53.749 53.050 -0.255 0.000 0.918 631 N CB -0.314 37.969 38.487 -0.341 0.000 0.966 631 N HN 0.693 nan 8.380 nan 0.000 0.448 632 H N -1.616 117.458 119.070 0.006 0.000 2.785 632 H HA 0.212 4.767 4.556 -0.001 0.000 0.268 632 H C -0.597 174.749 175.328 0.030 0.000 1.153 632 H CA -0.495 55.558 56.048 0.008 0.000 1.111 632 H CB 0.628 30.382 29.762 -0.013 0.000 1.633 632 H HN -0.028 nan 8.280 nan 0.000 0.576 633 D N 2.209 122.687 120.400 0.130 0.000 2.347 633 D HA 0.042 4.682 4.640 -0.001 0.000 0.235 633 D C -1.458 174.899 176.300 0.096 0.000 1.149 633 D CA -2.135 51.958 54.000 0.155 0.000 0.850 633 D CB 1.735 42.718 40.800 0.306 0.000 1.061 633 D HN 0.137 nan 8.370 nan 0.000 0.487 634 P HA -0.144 nan 4.420 nan 0.000 0.216 634 P C 1.656 178.973 177.300 0.029 0.000 1.150 634 P CA 0.450 63.574 63.100 0.040 0.000 0.837 634 P CB 0.410 32.130 31.700 0.034 0.000 0.786 635 V N -0.096 119.835 119.914 0.028 0.000 2.469 635 V HA -0.185 3.934 4.120 -0.001 0.000 0.251 635 V C 2.688 178.780 176.094 -0.004 0.000 1.064 635 V CA 1.636 63.937 62.300 0.003 0.000 1.066 635 V CB -0.979 30.834 31.823 -0.016 0.000 0.667 635 V HN -0.020 nan 8.190 nan 0.000 0.461 636 V N -0.721 119.207 119.914 0.024 0.000 2.500 636 V HA 0.222 4.342 4.120 -0.001 0.000 0.243 636 V C 1.907 178.006 176.094 0.009 0.000 1.039 636 V CA 1.209 63.523 62.300 0.024 0.000 1.053 636 V CB -0.829 31.056 31.823 0.104 0.000 0.695 636 V HN 0.678 nan 8.190 nan 0.000 0.463 637 G N 2.042 110.852 108.800 0.015 0.000 2.652 637 G HA2 -0.427 3.533 3.960 -0.001 0.000 0.318 637 G HA3 -0.427 3.533 3.960 -0.001 0.000 0.318 637 G C 0.425 175.325 174.900 -0.001 0.000 1.295 637 G CA 0.759 45.861 45.100 0.004 0.000 0.999 637 G HN 0.687 nan 8.290 nan 0.000 0.548 638 D N 0.902 121.305 120.400 0.005 0.000 2.336 638 D HA 0.095 4.734 4.640 -0.001 0.000 0.228 638 D C 1.976 178.275 176.300 -0.002 0.000 1.120 638 D CA 0.722 54.731 54.000 0.015 0.000 0.839 638 D CB -0.328 40.500 40.800 0.047 0.000 0.932 638 D HN 0.789 nan 8.370 nan 0.000 0.509 639 R N -0.578 119.906 120.500 -0.027 0.000 2.246 639 R HA 0.235 4.575 4.340 -0.001 0.000 0.199 639 R C -0.042 176.210 176.300 -0.080 0.000 0.984 639 R CA -0.111 55.947 56.100 -0.070 0.000 1.015 639 R CB -0.031 30.201 30.300 -0.113 0.000 0.930 639 R HN 0.116 nan 8.270 nan 0.000 0.475 640 L N 1.211 122.406 121.223 -0.046 0.000 2.516 640 L HA 0.426 4.765 4.340 -0.001 0.000 0.267 640 L C -1.423 175.425 176.870 -0.036 0.000 0.957 640 L CA -0.667 54.145 54.840 -0.047 0.000 0.860 640 L CB 2.050 44.094 42.059 -0.025 0.000 1.265 640 L HN -0.032 nan 8.230 nan 0.000 0.403 641 R N 3.792 124.259 120.500 -0.055 0.000 2.686 641 R HA 0.833 5.173 4.340 -0.001 0.000 0.286 641 R C -1.571 174.681 176.300 -0.080 0.000 0.969 641 R CA -0.921 55.139 56.100 -0.065 0.000 0.898 641 R CB 2.546 32.809 30.300 -0.062 0.000 1.183 641 R HN 0.405 nan 8.270 nan 0.000 0.456 642 V N 4.635 124.502 119.914 -0.079 0.000 2.407 642 V HA 0.515 4.634 4.120 -0.001 0.000 0.291 642 V C 0.127 176.185 176.094 -0.060 0.000 1.018 642 V CA -0.773 61.480 62.300 -0.077 0.000 0.842 642 V CB 1.541 33.313 31.823 -0.084 0.000 0.996 642 V HN 0.665 nan 8.190 nan 0.000 0.426 643 I N 1.247 121.783 120.570 -0.057 0.000 2.730 643 I HA 0.685 4.855 4.170 -0.001 0.000 0.298 643 I C -1.711 174.402 176.117 -0.006 0.000 1.089 643 I CA -0.829 60.452 61.300 -0.032 0.000 1.041 643 I CB 2.534 40.496 38.000 -0.063 0.000 1.235 643 I HN 0.498 nan 8.210 nan 0.000 0.423 644 F N 6.412 126.302 119.950 -0.100 0.000 2.388 644 F HA 0.557 5.084 4.527 -0.001 0.000 0.358 644 F C -0.685 175.061 175.800 -0.090 0.000 1.122 644 F CA -0.708 57.235 58.000 -0.095 0.000 1.056 644 F CB 1.150 40.093 39.000 -0.095 0.000 1.155 644 F HN 0.386 nan 8.300 nan 0.000 0.461 645 L N 5.908 126.764 121.223 -0.612 0.000 2.369 645 L HA 0.208 4.547 4.340 -0.001 0.000 0.279 645 L C 0.386 177.047 176.870 -0.349 0.000 1.108 645 L CA -0.092 54.530 54.840 -0.364 0.000 0.852 645 L CB 0.507 42.436 42.059 -0.217 0.000 1.169 645 L HN 0.626 nan 8.230 nan 0.000 0.452 646 E N 4.260 124.386 120.200 -0.123 0.000 2.354 646 E HA -0.026 4.323 4.350 -0.001 0.000 0.269 646 E C 0.304 176.984 176.600 0.133 0.000 1.036 646 E CA -0.428 56.017 56.400 0.074 0.000 0.876 646 E CB 0.501 30.216 29.700 0.024 0.000 1.009 646 E HN 0.591 nan 8.360 nan 0.000 0.416 647 N N 2.582 121.399 118.700 0.194 0.000 2.758 647 N HA -0.270 4.470 4.740 -0.001 0.000 0.248 647 N C -1.508 174.095 175.510 0.154 0.000 1.076 647 N CA 0.514 53.669 53.050 0.175 0.000 0.696 647 N CB -1.769 36.836 38.487 0.196 0.000 0.979 647 N HN 0.522 nan 8.380 nan 0.000 0.550 648 Y N 1.641 121.950 120.300 0.016 0.000 2.717 648 Y HA 0.148 4.698 4.550 -0.001 0.000 0.330 648 Y C 1.144 177.061 175.900 0.029 0.000 1.217 648 Y CA 0.904 59.002 58.100 -0.004 0.000 1.506 648 Y CB 0.298 38.728 38.460 -0.050 0.000 1.268 648 Y HN 0.386 nan 8.280 nan 0.000 0.561 649 R N 2.309 122.471 120.500 -0.563 0.000 2.752 649 R HA 0.392 4.732 4.340 -0.001 0.000 0.277 649 R C -0.772 175.225 176.300 -0.505 0.000 1.024 649 R CA -0.564 55.300 56.100 -0.393 0.000 0.866 649 R CB 0.225 30.466 30.300 -0.099 0.000 1.278 649 R HN 0.341 nan 8.270 nan 0.000 0.473 650 V N 1.099 120.753 119.914 -0.433 0.000 2.332 650 V HA -0.271 3.848 4.120 -0.001 0.000 0.248 650 V C 2.525 178.505 176.094 -0.190 0.000 1.055 650 V CA 2.744 64.838 62.300 -0.343 0.000 1.038 650 V CB -0.757 30.843 31.823 -0.373 0.000 0.651 650 V HN 0.894 nan 8.190 nan 0.000 0.450 651 S N 0.261 115.864 115.700 -0.161 0.000 2.368 651 S HA -0.170 4.300 4.470 -0.001 0.000 0.224 651 S C 1.942 176.488 174.600 -0.090 0.000 1.029 651 S CA 1.546 59.676 58.200 -0.117 0.000 0.988 651 S CB -0.580 62.577 63.200 -0.072 0.000 0.838 651 S HN 0.395 nan 8.310 nan 0.000 0.462 652 L N 2.179 123.356 121.223 -0.077 0.000 2.093 652 L HA 0.264 4.603 4.340 -0.001 0.000 0.208 652 L C 2.649 179.539 176.870 0.033 0.000 1.085 652 L CA 1.406 56.234 54.840 -0.020 0.000 0.755 652 L CB -1.331 40.769 42.059 0.070 0.000 0.904 652 L HN 0.347 nan 8.230 nan 0.000 0.435 653 A N -0.513 122.318 122.820 0.018 0.000 1.883 653 A HA -0.260 4.059 4.320 -0.001 0.000 0.217 653 A C 2.128 179.773 177.584 0.101 0.000 1.186 653 A CA 1.946 54.069 52.037 0.143 0.000 0.624 653 A CB -0.709 18.354 19.000 0.104 0.000 0.822 653 A HN 0.610 nan 8.150 nan 0.000 0.444 654 E N -0.383 119.877 120.200 0.099 0.000 2.267 654 E HA -0.198 4.152 4.350 -0.001 0.000 0.197 654 E C 1.943 178.525 176.600 -0.030 0.000 0.998 654 E CA 1.321 57.735 56.400 0.022 0.000 0.830 654 E CB -0.100 29.527 29.700 -0.122 0.000 0.751 654 E HN 0.635 nan 8.360 nan 0.000 0.491 655 K N 0.099 120.469 120.400 -0.050 0.000 2.099 655 K HA 0.009 4.328 4.320 -0.001 0.000 0.203 655 K C 2.169 178.672 176.600 -0.163 0.000 1.047 655 K CA 0.543 56.809 56.287 -0.035 0.000 0.963 655 K CB -0.006 32.461 32.500 -0.054 0.000 0.759 655 K HN -0.040 nan 8.250 nan 0.000 0.451 656 V N 1.701 121.405 119.914 -0.349 0.000 2.649 656 V HA -0.092 4.028 4.120 -0.001 0.000 0.248 656 V C 1.848 177.685 176.094 -0.429 0.000 1.054 656 V CA 1.074 62.901 62.300 -0.790 0.000 1.073 656 V CB -0.127 31.258 31.823 -0.730 0.000 0.699 656 V HN 0.239 nan 8.190 nan 0.000 0.463 657 I N 0.854 121.225 120.570 -0.332 0.000 2.202 657 I HA -0.102 4.067 4.170 -0.001 0.000 0.242 657 I C -0.306 175.662 176.117 -0.248 0.000 1.091 657 I CA 1.455 62.467 61.300 -0.480 0.000 1.368 657 I CB -1.468 36.135 38.000 -0.662 0.000 1.058 657 I HN 0.366 nan 8.210 nan 0.000 0.410 658 P HA -0.104 nan 4.420 nan 0.000 0.225 658 P C 0.983 178.269 177.300 -0.024 0.000 1.148 658 P CA 1.124 64.191 63.100 -0.056 0.000 0.779 658 P CB 0.009 31.694 31.700 -0.026 0.000 0.780 659 A N -1.099 121.694 122.820 -0.046 0.000 2.218 659 A HA 0.448 4.767 4.320 -0.001 0.000 0.209 659 A C 1.202 178.862 177.584 0.127 0.000 1.168 659 A CA 0.209 52.269 52.037 0.039 0.000 0.804 659 A CB -0.626 18.402 19.000 0.047 0.000 0.834 659 A HN 0.210 nan 8.150 nan 0.000 0.482 660 A N -0.108 122.787 122.820 0.124 0.000 2.310 660 A HA 0.511 4.831 4.320 -0.001 0.000 0.299 660 A C 0.283 178.017 177.584 0.250 0.000 1.147 660 A CA -0.349 51.837 52.037 0.249 0.000 0.818 660 A CB 0.460 19.702 19.000 0.404 0.000 1.096 660 A HN 0.243 nan 8.150 nan 0.000 0.495 661 D N 0.789 121.350 120.400 0.269 0.000 2.269 661 D HA 0.089 4.729 4.640 -0.001 0.000 0.220 661 D C 0.217 176.768 176.300 0.418 0.000 0.962 661 D CA 0.908 55.138 54.000 0.384 0.000 0.884 661 D CB 0.187 41.150 40.800 0.271 0.000 1.023 661 D HN 0.381 nan 8.370 nan 0.000 0.484 662 L N 0.847 122.206 121.223 0.227 0.000 2.341 662 L HA 0.300 4.639 4.340 -0.001 0.000 0.278 662 L C -0.753 176.058 176.870 -0.099 0.000 1.005 662 L CA -0.358 54.545 54.840 0.104 0.000 0.818 662 L CB 2.077 44.161 42.059 0.042 0.000 1.259 662 L HN -0.151 nan 8.230 nan 0.000 0.418 663 S N 4.211 119.766 115.700 -0.241 0.000 2.498 663 S HA 0.333 4.802 4.470 -0.001 0.000 0.324 663 S C -0.490 173.848 174.600 -0.437 0.000 1.071 663 S CA -0.737 57.054 58.200 -0.682 0.000 1.113 663 S CB 0.681 63.470 63.200 -0.684 0.000 0.976 663 S HN 0.552 nan 8.310 nan 0.000 0.462 664 E N 3.884 123.823 120.200 -0.435 0.000 2.152 664 E HA 0.221 4.570 4.350 -0.001 0.000 0.285 664 E C -0.449 176.029 176.600 -0.204 0.000 1.043 664 E CA -0.289 55.984 56.400 -0.212 0.000 0.839 664 E CB 0.948 30.552 29.700 -0.159 0.000 1.069 664 E HN 0.608 nan 8.360 nan 0.000 0.399 665 Q N 2.734 122.479 119.800 -0.093 0.000 3.394 665 Q HA 0.237 4.577 4.340 -0.001 0.000 0.285 665 Q C 0.526 176.508 176.000 -0.031 0.000 0.866 665 Q CA -0.048 55.709 55.803 -0.076 0.000 0.844 665 Q CB 0.235 28.937 28.738 -0.059 0.000 1.472 665 Q HN 0.633 nan 8.270 nan 0.000 0.401 666 I N -1.846 118.695 120.570 -0.049 0.000 3.762 666 I HA 0.277 4.447 4.170 -0.001 0.000 0.333 666 I C 0.483 176.549 176.117 -0.085 0.000 1.566 666 I CA -0.635 60.646 61.300 -0.032 0.000 1.129 666 I CB 0.407 38.378 38.000 -0.049 0.000 1.218 666 I HN -0.003 nan 8.210 nan 0.000 0.456 667 S N 0.750 116.402 115.700 -0.080 0.000 2.559 667 S HA 0.062 4.532 4.470 -0.001 0.000 0.282 667 S C 0.580 175.165 174.600 -0.025 0.000 1.336 667 S CA -0.124 58.055 58.200 -0.034 0.000 1.037 667 S CB 0.031 63.258 63.200 0.044 0.000 0.853 667 S HN 0.420 nan 8.310 nan 0.000 0.523 668 T N 2.676 117.258 114.554 0.047 0.000 2.888 668 T HA 0.421 4.770 4.350 -0.001 0.000 0.301 668 T C 0.715 175.428 174.700 0.022 0.000 1.001 668 T CA 0.224 62.352 62.100 0.047 0.000 1.147 668 T CB 0.168 69.139 68.868 0.171 0.000 0.931 668 T HN 1.001 nan 8.240 nan 0.000 0.541 669 A N 2.611 125.407 122.820 -0.040 0.000 2.548 669 A HA 0.485 4.805 4.320 -0.001 0.000 0.247 669 A C 1.622 179.194 177.584 -0.019 0.000 1.067 669 A CA 0.284 52.292 52.037 -0.049 0.000 0.757 669 A CB -0.833 18.120 19.000 -0.077 0.000 0.996 669 A HN 1.573 nan 8.150 nan 0.000 0.504 670 G N 1.349 110.139 108.800 -0.017 0.000 2.213 670 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.226 670 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.226 670 G C 1.018 175.910 174.900 -0.014 0.000 0.992 670 G CA 1.072 46.165 45.100 -0.012 0.000 0.632 670 G HN 1.957 nan 8.290 nan 0.000 0.511 671 T N -2.088 112.466 114.554 -0.001 0.000 3.023 671 T HA 0.420 4.770 4.350 -0.001 0.000 0.249 671 T C 0.735 175.329 174.700 -0.177 0.000 1.050 671 T CA 1.206 63.259 62.100 -0.077 0.000 1.088 671 T CB 0.616 69.506 68.868 0.037 0.000 0.946 671 T HN 0.333 nan 8.240 nan 0.000 0.480 672 E N 1.130 121.333 120.200 0.005 0.000 2.046 672 E HA 0.689 5.038 4.350 -0.001 0.000 0.279 672 E C 1.127 177.692 176.600 -0.059 0.000 0.989 672 E CA -0.040 56.392 56.400 0.054 0.000 0.798 672 E CB 0.871 30.651 29.700 0.133 0.000 1.086 672 E HN 0.279 nan 8.360 nan 0.000 0.399 673 A N 3.394 126.109 122.820 -0.175 0.000 1.903 673 A HA -0.220 4.099 4.320 -0.001 0.000 0.219 673 A C 1.972 179.470 177.584 -0.142 0.000 1.191 673 A CA 2.323 54.153 52.037 -0.344 0.000 0.638 673 A CB -0.273 18.256 19.000 -0.785 0.000 0.823 673 A HN 0.599 nan 8.150 nan 0.000 0.451 674 S N -3.937 111.717 115.700 -0.076 0.000 3.770 674 S HA 0.443 4.913 4.470 -0.001 0.000 0.238 674 S C 0.878 175.472 174.600 -0.010 0.000 1.143 674 S CA 1.419 59.611 58.200 -0.014 0.000 0.869 674 S CB -0.335 62.875 63.200 0.018 0.000 1.057 674 S HN 2.250 nan 8.310 nan 0.000 0.507 675 G N 0.425 109.227 108.800 0.003 0.000 2.856 675 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.674 675 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.674 675 G C 0.331 175.221 174.900 -0.015 0.000 1.519 675 G CA 0.545 45.645 45.100 0.000 0.000 0.940 675 G HN 1.426 nan 8.290 nan 0.000 0.564 676 T N -2.789 111.744 114.554 -0.036 0.000 3.029 676 T HA 0.386 4.736 4.350 -0.001 0.000 0.256 676 T C 2.337 176.949 174.700 -0.147 0.000 0.914 676 T CA 1.207 63.257 62.100 -0.084 0.000 0.880 676 T CB 0.197 69.010 68.868 -0.092 0.000 1.246 676 T HN 1.905 nan 8.240 nan 0.000 0.523 677 G N 3.517 112.261 108.800 -0.093 0.000 2.440 677 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.218 677 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.218 677 G C 1.587 176.563 174.900 0.126 0.000 1.154 677 G CA 1.388 46.466 45.100 -0.037 0.000 0.767 677 G HN 0.681 nan 8.290 nan 0.000 0.552 678 N N 1.255 119.996 118.700 0.068 0.000 2.069 678 N HA -0.251 4.489 4.740 -0.001 0.000 0.196 678 N C 2.028 177.550 175.510 0.021 0.000 1.024 678 N CA 2.306 55.384 53.050 0.046 0.000 0.869 678 N CB -0.856 37.608 38.487 -0.039 0.000 1.035 678 N HN 0.427 nan 8.380 nan 0.000 0.434 679 M N -0.276 119.269 119.600 -0.092 0.000 2.117 679 M HA -0.028 4.452 4.480 -0.001 0.000 0.262 679 M C 2.124 178.383 176.300 -0.068 0.000 1.065 679 M CA 1.514 56.739 55.300 -0.126 0.000 1.114 679 M CB -0.159 32.373 32.600 -0.114 0.000 1.361 679 M HN 0.019 nan 8.290 nan 0.000 0.408 680 K N 0.271 120.570 120.400 -0.169 0.000 2.044 680 K HA -0.134 4.185 4.320 -0.001 0.000 0.210 680 K C 1.525 178.029 176.600 -0.160 0.000 1.049 680 K CA 1.869 57.991 56.287 -0.275 0.000 0.927 680 K CB -0.457 31.693 32.500 -0.583 0.000 0.713 680 K HN 0.162 nan 8.250 nan 0.000 0.443 681 F N 0.264 120.151 119.950 -0.105 0.000 2.134 681 F HA -0.135 4.392 4.527 -0.001 0.000 0.299 681 F C 2.465 178.235 175.800 -0.049 0.000 1.097 681 F CA 1.397 59.356 58.000 -0.067 0.000 1.264 681 F CB -0.339 38.616 39.000 -0.075 0.000 1.001 681 F HN 0.039 nan 8.300 nan 0.000 0.479 682 M N -0.286 119.394 119.600 0.134 0.000 2.080 682 M HA -0.223 4.256 4.480 -0.001 0.000 0.260 682 M C 2.192 178.536 176.300 0.073 0.000 1.068 682 M CA 1.664 57.007 55.300 0.072 0.000 1.109 682 M CB -0.320 32.329 32.600 0.083 0.000 1.342 682 M HN 0.261 nan 8.290 nan 0.000 0.405 683 L N 0.953 122.223 121.223 0.079 0.000 2.191 683 L HA -0.142 4.197 4.340 -0.001 0.000 0.212 683 L C 1.266 178.174 176.870 0.063 0.000 1.103 683 L CA 1.714 56.607 54.840 0.088 0.000 0.769 683 L CB -0.603 41.521 42.059 0.108 0.000 0.908 683 L HN 0.386 nan 8.230 nan 0.000 0.438 684 N N -0.310 118.413 118.700 0.039 0.000 2.238 684 N HA 0.188 4.928 4.740 -0.001 0.000 0.222 684 N C 0.869 176.397 175.510 0.030 0.000 1.133 684 N CA 0.773 53.837 53.050 0.022 0.000 0.854 684 N CB 0.582 39.057 38.487 -0.020 0.000 1.041 684 N HN 0.423 nan 8.380 nan 0.000 0.510 685 G N 0.469 109.290 108.800 0.036 0.000 2.132 685 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.228 685 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.228 685 G C 0.068 175.011 174.900 0.071 0.000 1.000 685 G CA 0.156 45.275 45.100 0.031 0.000 0.693 685 G HN 0.529 nan 8.290 nan 0.000 0.515 686 A N -0.323 122.554 122.820 0.095 0.000 2.306 686 A HA 0.872 5.191 4.320 -0.001 0.000 0.330 686 A C 0.477 178.043 177.584 -0.031 0.000 1.146 686 A CA -0.592 51.526 52.037 0.136 0.000 0.827 686 A CB 0.882 20.049 19.000 0.279 0.000 1.178 686 A HN 0.737 nan 8.150 nan 0.000 0.490 687 L N 0.796 121.955 121.223 -0.105 0.000 2.399 687 L HA 0.410 4.750 4.340 -0.001 0.000 0.266 687 L C 0.235 176.997 176.870 -0.179 0.000 1.114 687 L CA -0.347 54.326 54.840 -0.279 0.000 0.804 687 L CB 1.399 43.194 42.059 -0.441 0.000 1.146 687 L HN 0.670 nan 8.230 nan 0.000 0.451 688 T N 2.968 117.326 114.554 -0.326 0.000 2.794 688 T HA 0.460 4.809 4.350 -0.001 0.000 0.280 688 T C -0.332 174.417 174.700 0.082 0.000 0.987 688 T CA -0.245 61.752 62.100 -0.171 0.000 0.993 688 T CB 1.435 70.190 68.868 -0.189 0.000 0.939 688 T HN 0.343 nan 8.240 nan 0.000 0.449 689 I N 2.858 123.497 120.570 0.115 0.000 2.354 689 I HA 0.719 4.888 4.170 -0.001 0.000 0.292 689 I C 0.167 176.471 176.117 0.312 0.000 0.989 689 I CA 0.103 61.558 61.300 0.258 0.000 1.188 689 I CB 0.548 38.622 38.000 0.123 0.000 1.342 689 I HN 0.782 nan 8.210 nan 0.000 0.457 690 G N 3.909 112.978 108.800 0.449 0.000 2.576 690 G HA2 0.449 4.408 3.960 -0.001 0.000 0.290 690 G HA3 0.449 4.408 3.960 -0.001 0.000 0.290 690 G C -0.994 173.824 174.900 -0.137 0.000 1.442 690 G CA -0.416 44.817 45.100 0.221 0.000 0.792 690 G HN 0.591 nan 8.290 nan 0.000 0.491 691 T N -1.998 112.356 114.554 -0.333 0.000 2.902 691 T HA 0.526 4.876 4.350 -0.001 0.000 0.280 691 T C 0.477 175.052 174.700 -0.209 0.000 0.992 691 T CA -0.604 61.234 62.100 -0.437 0.000 1.015 691 T CB 1.457 70.069 68.868 -0.427 0.000 1.044 691 T HN 0.284 nan 8.240 nan 0.000 0.520 692 M N 2.817 122.303 119.600 -0.190 0.000 3.436 692 M HA 0.390 4.870 4.480 -0.001 0.000 0.240 692 M C -0.795 175.444 176.300 -0.101 0.000 1.469 692 M CA -0.743 54.482 55.300 -0.125 0.000 1.622 692 M CB -1.919 30.618 32.600 -0.105 0.000 1.098 692 M HN 0.692 nan 8.290 nan 0.000 0.568 693 D N 0.341 120.686 120.400 -0.092 0.000 2.732 693 D HA 0.712 5.352 4.640 -0.001 0.000 0.229 693 D C 0.591 176.863 176.300 -0.048 0.000 1.152 693 D CA 0.817 54.780 54.000 -0.062 0.000 0.854 693 D CB 1.492 42.259 40.800 -0.056 0.000 1.590 693 D HN 0.541 nan 8.370 nan 0.000 0.468 694 G N 1.718 110.502 108.800 -0.027 0.000 2.614 694 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.303 694 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.303 694 G C 0.957 175.845 174.900 -0.020 0.000 1.270 694 G CA 0.991 46.080 45.100 -0.018 0.000 0.988 694 G HN 1.058 nan 8.290 nan 0.000 0.551 695 A N -0.308 122.495 122.820 -0.027 0.000 2.208 695 A HA 0.152 4.471 4.320 -0.001 0.000 0.209 695 A C 2.085 179.597 177.584 -0.122 0.000 1.161 695 A CA 1.638 53.657 52.037 -0.031 0.000 0.782 695 A CB -0.425 18.560 19.000 -0.025 0.000 0.816 695 A HN 0.638 nan 8.150 nan 0.000 0.477 696 N N 0.768 119.394 118.700 -0.123 0.000 2.091 696 N HA -0.182 4.557 4.740 -0.001 0.000 0.193 696 N C 1.606 176.982 175.510 -0.223 0.000 1.021 696 N CA 1.772 54.729 53.050 -0.156 0.000 0.862 696 N CB -0.709 37.723 38.487 -0.091 0.000 1.018 696 N HN 0.315 nan 8.380 nan 0.000 0.429 697 V N 1.068 120.897 119.914 -0.141 0.000 2.295 697 V HA -0.208 3.912 4.120 -0.001 0.000 0.246 697 V C 2.043 178.066 176.094 -0.118 0.000 1.049 697 V CA 1.709 63.932 62.300 -0.129 0.000 1.024 697 V CB -0.561 31.219 31.823 -0.072 0.000 0.648 697 V HN 0.326 nan 8.190 nan 0.000 0.447 698 E N -0.444 119.735 120.200 -0.034 0.000 2.107 698 E HA -0.143 4.207 4.350 -0.001 0.000 0.191 698 E C 2.238 178.947 176.600 0.182 0.000 0.982 698 E CA 1.148 57.605 56.400 0.094 0.000 0.809 698 E CB -0.219 29.623 29.700 0.237 0.000 0.756 698 E HN 0.529 nan 8.360 nan 0.000 0.459 699 M N 0.549 120.159 119.600 0.016 0.000 2.065 699 M HA -0.211 4.268 4.480 -0.001 0.000 0.259 699 M C 2.517 178.535 176.300 -0.470 0.000 1.069 699 M CA 1.741 56.938 55.300 -0.172 0.000 1.110 699 M CB -0.318 32.006 32.600 -0.460 0.000 1.328 699 M HN 0.154 nan 8.290 nan 0.000 0.405 700 A N -0.173 122.120 122.820 -0.879 0.000 1.908 700 A HA -0.244 4.076 4.320 -0.001 0.000 0.218 700 A C 2.035 179.435 177.584 -0.307 0.000 1.181 700 A CA 2.088 53.618 52.037 -0.844 0.000 0.627 700 A CB -0.918 17.698 19.000 -0.639 0.000 0.818 700 A HN 0.607 nan 8.150 nan 0.000 0.445 701 E N -0.560 119.532 120.200 -0.181 0.000 2.077 701 E HA -0.222 4.128 4.350 -0.001 0.000 0.193 701 E C 1.792 178.372 176.600 -0.034 0.000 0.989 701 E CA 1.278 57.630 56.400 -0.080 0.000 0.800 701 E CB -0.076 29.595 29.700 -0.047 0.000 0.746 701 E HN 0.570 nan 8.360 nan 0.000 0.452 702 E N -0.021 120.185 120.200 0.010 0.000 2.072 702 E HA -0.112 4.237 4.350 -0.001 0.000 0.190 702 E C 1.795 178.436 176.600 0.070 0.000 0.982 702 E CA 1.064 57.499 56.400 0.060 0.000 0.803 702 E CB -0.115 29.683 29.700 0.164 0.000 0.755 702 E HN 0.340 nan 8.360 nan 0.000 0.453 703 A N 0.368 123.243 122.820 0.091 0.000 2.132 703 A HA 0.331 4.650 4.320 -0.001 0.000 0.213 703 A C 1.055 178.691 177.584 0.086 0.000 1.154 703 A CA 1.017 53.140 52.037 0.144 0.000 0.753 703 A CB -0.063 19.154 19.000 0.361 0.000 0.826 703 A HN 0.232 nan 8.150 nan 0.000 0.469 704 G N -0.372 108.446 108.800 0.031 0.000 3.172 704 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.686 704 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.686 704 G C 0.038 174.954 174.900 0.026 0.000 1.009 704 G CA 0.051 45.158 45.100 0.012 0.000 0.787 704 G HN 0.307 nan 8.290 nan 0.000 0.559 705 E N 1.105 121.294 120.200 -0.018 0.000 2.209 705 E HA -0.181 4.169 4.350 -0.001 0.000 0.196 705 E C 2.107 178.708 176.600 0.002 0.000 0.993 705 E CA 1.709 58.104 56.400 -0.009 0.000 0.819 705 E CB 0.056 29.739 29.700 -0.029 0.000 0.745 705 E HN 0.787 nan 8.360 nan 0.000 0.477 706 E N 0.671 120.860 120.200 -0.019 0.000 2.267 706 E HA -0.148 4.201 4.350 -0.001 0.000 0.197 706 E C 1.036 177.567 176.600 -0.115 0.000 0.998 706 E CA 0.808 57.172 56.400 -0.060 0.000 0.830 706 E CB -0.068 29.604 29.700 -0.048 0.000 0.751 706 E HN 0.172 nan 8.360 nan 0.000 0.491 707 N N -0.542 118.135 118.700 -0.038 0.000 2.235 707 N HA 0.143 4.882 4.740 -0.001 0.000 0.209 707 N C -0.892 174.528 175.510 -0.149 0.000 1.122 707 N CA 0.127 53.120 53.050 -0.094 0.000 0.845 707 N CB 0.450 38.935 38.487 -0.002 0.000 1.004 707 N HN 0.045 nan 8.380 nan 0.000 0.499 708 F N -0.503 119.270 119.950 -0.295 0.000 2.576 708 F HA 0.390 4.917 4.527 -0.001 0.000 0.313 708 F C -0.399 175.233 175.800 -0.280 0.000 1.078 708 F CA -1.023 56.844 58.000 -0.222 0.000 0.921 708 F CB 1.215 40.160 39.000 -0.091 0.000 1.232 708 F HN -0.214 nan 8.300 nan 0.000 0.459 709 F N 4.698 124.716 119.950 0.114 0.000 2.541 709 F HA 0.312 4.839 4.527 -0.001 0.000 0.351 709 F C -0.074 175.875 175.800 0.249 0.000 1.209 709 F CA -0.444 57.634 58.000 0.131 0.000 1.277 709 F CB -0.329 38.706 39.000 0.059 0.000 1.632 709 F HN 0.010 nan 8.300 nan 0.000 0.619 710 I N 3.810 124.573 120.570 0.321 0.000 2.395 710 I HA 0.256 4.425 4.170 -0.001 0.000 0.289 710 I C -0.014 176.277 176.117 0.290 0.000 1.023 710 I CA -0.591 60.855 61.300 0.243 0.000 1.350 710 I CB 0.000 38.059 38.000 0.097 0.000 1.409 710 I HN 0.299 nan 8.210 nan 0.000 0.507 711 F N 2.854 122.859 119.950 0.092 0.000 2.715 711 F HA 0.885 5.412 4.527 -0.001 0.000 0.318 711 F C 0.094 175.925 175.800 0.052 0.000 1.141 711 F CA -0.514 57.535 58.000 0.082 0.000 0.950 711 F CB 1.162 40.230 39.000 0.114 0.000 1.374 711 F HN 0.816 nan 8.300 nan 0.000 0.477 712 G N 0.911 109.754 108.800 0.073 0.000 2.760 712 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.246 712 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.246 712 G C -0.866 173.995 174.900 -0.066 0.000 1.359 712 G CA -0.579 44.511 45.100 -0.018 0.000 0.861 712 G HN 0.956 nan 8.290 nan 0.000 0.541 713 M N 0.295 119.867 119.600 -0.046 0.000 2.249 713 M HA 0.326 4.806 4.480 -0.001 0.000 0.340 713 M C 1.061 177.316 176.300 -0.074 0.000 1.166 713 M CA 0.065 55.346 55.300 -0.031 0.000 1.115 713 M CB 0.400 32.991 32.600 -0.015 0.000 1.606 713 M HN 0.535 nan 8.290 nan 0.000 0.448 714 R N 1.246 121.718 120.500 -0.048 0.000 2.546 714 R HA 0.243 4.583 4.340 -0.001 0.000 0.266 714 R C 1.136 177.411 176.300 -0.041 0.000 1.086 714 R CA -0.649 55.420 56.100 -0.053 0.000 1.160 714 R CB 0.035 30.313 30.300 -0.036 0.000 1.138 714 R HN 0.586 nan 8.270 nan 0.000 0.567 715 V N 1.216 121.105 119.914 -0.041 0.000 2.278 715 V HA -0.308 3.812 4.120 -0.001 0.000 0.251 715 V C 2.074 178.154 176.094 -0.023 0.000 1.062 715 V CA 2.077 64.357 62.300 -0.033 0.000 1.038 715 V CB -0.444 31.360 31.823 -0.033 0.000 0.646 715 V HN 0.680 nan 8.190 nan 0.000 0.447 716 E N -0.335 119.853 120.200 -0.019 0.000 2.130 716 E HA -0.266 4.084 4.350 -0.001 0.000 0.196 716 E C 1.961 178.562 176.600 0.001 0.000 0.998 716 E CA 1.693 58.087 56.400 -0.010 0.000 0.806 716 E CB -0.185 29.510 29.700 -0.007 0.000 0.738 716 E HN 0.705 nan 8.360 nan 0.000 0.459 717 D N -0.201 120.201 120.400 0.004 0.000 2.194 717 D HA -0.085 4.554 4.640 -0.001 0.000 0.204 717 D C 2.099 178.413 176.300 0.023 0.000 0.964 717 D CA 0.519 54.532 54.000 0.022 0.000 0.846 717 D CB 0.171 40.989 40.800 0.030 0.000 0.962 717 D HN 0.069 nan 8.370 nan 0.000 0.490 718 V N 2.123 122.036 119.914 -0.002 0.000 2.261 718 V HA -0.226 3.894 4.120 -0.001 0.000 0.246 718 V C 2.050 178.140 176.094 -0.007 0.000 1.047 718 V CA 1.726 64.016 62.300 -0.017 0.000 1.015 718 V CB -0.463 31.337 31.823 -0.038 0.000 0.642 718 V HN 0.023 nan 8.190 nan 0.000 0.446 719 D N 0.067 120.462 120.400 -0.008 0.000 2.126 719 D HA -0.209 4.430 4.640 -0.001 0.000 0.190 719 D C 2.381 178.689 176.300 0.013 0.000 1.001 719 D CA 1.592 55.590 54.000 -0.004 0.000 0.841 719 D CB -0.329 40.466 40.800 -0.009 0.000 0.949 719 D HN 0.381 nan 8.370 nan 0.000 0.446 720 R N -0.289 120.224 120.500 0.022 0.000 2.120 720 R HA -0.096 4.243 4.340 -0.001 0.000 0.234 720 R C 2.194 178.527 176.300 0.056 0.000 1.123 720 R CA 0.407 56.529 56.100 0.035 0.000 0.975 720 R CB -0.297 30.026 30.300 0.039 0.000 0.866 720 R HN 0.122 nan 8.270 nan 0.000 0.446 721 L N 1.061 122.327 121.223 0.072 0.000 2.156 721 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 721 L C 1.206 178.139 176.870 0.104 0.000 1.095 721 L CA 1.815 56.725 54.840 0.117 0.000 0.770 721 L CB -0.339 41.812 42.059 0.153 0.000 0.914 721 L HN 0.066 nan 8.230 nan 0.000 0.439 722 D N -1.049 119.385 120.400 0.056 0.000 2.149 722 D HA -0.168 4.472 4.640 -0.001 0.000 0.201 722 D C 2.127 178.450 176.300 0.039 0.000 0.972 722 D CA 0.916 54.940 54.000 0.040 0.000 0.835 722 D CB 0.070 40.873 40.800 0.005 0.000 0.966 722 D HN 0.447 nan 8.370 nan 0.000 0.476 723 Q N 0.164 119.984 119.800 0.033 0.000 2.061 723 Q HA -0.169 4.171 4.340 -0.001 0.000 0.204 723 Q C 1.791 177.812 176.000 0.035 0.000 0.984 723 Q CA 1.531 57.351 55.803 0.028 0.000 0.846 723 Q CB 0.037 28.789 28.738 0.023 0.000 0.902 723 Q HN 0.176 nan 8.270 nan 0.000 0.421 724 R N -0.537 119.991 120.500 0.047 0.000 2.317 724 R HA 0.297 4.637 4.340 -0.001 0.000 0.208 724 R C 0.124 176.458 176.300 0.057 0.000 0.914 724 R CA 0.561 56.689 56.100 0.046 0.000 1.060 724 R CB -0.326 30.000 30.300 0.044 0.000 1.015 724 R HN 0.089 nan 8.270 nan 0.000 0.498 725 G N 0.486 109.332 108.800 0.077 0.000 3.039 725 G HA2 -0.234 3.726 3.960 -0.001 0.000 0.686 725 G HA3 -0.234 3.726 3.960 -0.001 0.000 0.686 725 G C -1.413 173.572 174.900 0.141 0.000 1.066 725 G CA -0.410 44.744 45.100 0.091 0.000 0.774 725 G HN 0.338 nan 8.290 nan 0.000 0.591 726 Y N 3.417 123.742 120.300 0.041 0.000 2.404 726 Y HA 0.595 5.144 4.550 -0.001 0.000 0.344 726 Y C 0.238 176.185 175.900 0.079 0.000 0.995 726 Y CA -1.224 56.920 58.100 0.074 0.000 1.201 726 Y CB 1.106 39.585 38.460 0.032 0.000 1.151 726 Y HN 0.570 nan 8.280 nan 0.000 0.517 727 N N 5.173 123.666 118.700 -0.344 0.000 2.626 727 N HA 0.269 5.008 4.740 -0.001 0.000 0.242 727 N C 0.351 175.624 175.510 -0.395 0.000 1.005 727 N CA 0.397 53.254 53.050 -0.322 0.000 0.905 727 N CB 1.287 39.699 38.487 -0.124 0.000 1.128 727 N HN 0.887 nan 8.380 nan 0.000 0.512 728 A N 2.817 125.286 122.820 -0.585 0.000 1.978 728 A HA -0.214 4.106 4.320 -0.001 0.000 0.220 728 A C 1.903 179.628 177.584 0.234 0.000 1.170 728 A CA 1.485 53.428 52.037 -0.158 0.000 0.636 728 A CB -0.308 18.513 19.000 -0.299 0.000 0.810 728 A HN 0.693 nan 8.150 nan 0.000 0.448 729 Q N 0.209 120.028 119.800 0.031 0.000 2.152 729 Q HA -0.236 4.104 4.340 -0.001 0.000 0.206 729 Q C 1.904 177.970 176.000 0.109 0.000 0.985 729 Q CA 2.285 58.124 55.803 0.061 0.000 0.863 729 Q CB -0.368 28.355 28.738 -0.025 0.000 0.904 729 Q HN 0.777 nan 8.270 nan 0.000 0.422 730 E N -1.340 118.861 120.200 0.001 0.000 2.070 730 E HA -0.260 4.089 4.350 -0.001 0.000 0.197 730 E C 1.594 178.125 176.600 -0.116 0.000 1.004 730 E CA 1.647 57.974 56.400 -0.121 0.000 0.805 730 E CB -0.248 29.270 29.700 -0.304 0.000 0.744 730 E HN 0.588 nan 8.360 nan 0.000 0.451 731 Y N -1.145 119.220 120.300 0.109 0.000 2.200 731 Y HA -0.195 4.354 4.550 -0.001 0.000 0.290 731 Y C 2.233 178.138 175.900 0.008 0.000 1.137 731 Y CA 1.496 59.659 58.100 0.105 0.000 1.163 731 Y CB -0.717 37.878 38.460 0.225 0.000 0.988 731 Y HN 0.236 nan 8.280 nan 0.000 0.518 732 Y N 1.361 121.687 120.300 0.043 0.000 2.165 732 Y HA -0.261 4.289 4.550 -0.001 0.000 0.286 732 Y C 1.728 177.592 175.900 -0.060 0.000 1.155 732 Y CA 1.862 59.902 58.100 -0.099 0.000 1.164 732 Y CB -0.373 38.078 38.460 -0.016 0.000 0.978 732 Y HN 0.098 nan 8.280 nan 0.000 0.513 733 D N -0.415 120.086 120.400 0.170 0.000 2.317 733 D HA -0.054 4.586 4.640 -0.001 0.000 0.211 733 D C 1.573 177.857 176.300 -0.027 0.000 0.966 733 D CA 0.879 54.927 54.000 0.080 0.000 0.876 733 D CB -0.046 40.811 40.800 0.095 0.000 0.927 733 D HN 0.508 nan 8.370 nan 0.000 0.519 734 R N -0.109 120.369 120.500 -0.038 0.000 2.397 734 R HA 0.310 4.650 4.340 -0.001 0.000 0.241 734 R C 0.318 176.596 176.300 -0.037 0.000 0.914 734 R CA 0.025 56.102 56.100 -0.038 0.000 1.071 734 R CB 1.328 31.605 30.300 -0.037 0.000 1.116 734 R HN 0.109 nan 8.270 nan 0.000 0.524 735 I N 2.063 122.585 120.570 -0.079 0.000 2.495 735 I HA 0.237 4.406 4.170 -0.001 0.000 0.277 735 I C -2.006 174.012 176.117 -0.165 0.000 1.045 735 I CA -2.286 58.972 61.300 -0.070 0.000 1.135 735 I CB 2.232 40.224 38.000 -0.014 0.000 1.241 735 I HN -0.299 nan 8.210 nan 0.000 0.469 736 P HA -0.164 nan 4.420 nan 0.000 0.215 736 P C 1.198 178.407 177.300 -0.152 0.000 1.153 736 P CA 1.419 64.427 63.100 -0.153 0.000 0.853 736 P CB 0.306 31.952 31.700 -0.091 0.000 0.788 737 E N -0.878 119.274 120.200 -0.081 0.000 2.085 737 E HA -0.196 4.154 4.350 -0.001 0.000 0.194 737 E C 1.909 178.424 176.600 -0.142 0.000 0.994 737 E CA 0.891 57.265 56.400 -0.043 0.000 0.801 737 E CB -0.653 29.097 29.700 0.083 0.000 0.743 737 E HN 0.140 nan 8.360 nan 0.000 0.453 738 L N 1.172 122.217 121.223 -0.296 0.000 2.023 738 L HA -0.111 4.228 4.340 -0.001 0.000 0.205 738 L C 2.362 178.957 176.870 -0.458 0.000 1.073 738 L CA 1.646 56.134 54.840 -0.586 0.000 0.745 738 L CB -0.398 41.159 42.059 -0.837 0.000 0.900 738 L HN -0.102 nan 8.230 nan 0.000 0.435 739 R N -0.682 119.498 120.500 -0.534 0.000 2.134 739 R HA -0.298 4.041 4.340 -0.001 0.000 0.248 739 R C 2.438 178.574 176.300 -0.274 0.000 1.143 739 R CA 2.373 58.078 56.100 -0.659 0.000 0.957 739 R CB -0.444 29.395 30.300 -0.769 0.000 0.867 739 R HN 0.663 nan 8.270 nan 0.000 0.441 740 Q N 0.300 119.978 119.800 -0.204 0.000 2.050 740 Q HA -0.190 4.149 4.340 -0.001 0.000 0.202 740 Q C 2.110 178.077 176.000 -0.054 0.000 0.980 740 Q CA 1.916 57.652 55.803 -0.112 0.000 0.840 740 Q CB -0.112 28.564 28.738 -0.104 0.000 0.898 740 Q HN 0.459 nan 8.270 nan 0.000 0.424 741 I N 0.382 120.918 120.570 -0.056 0.000 2.179 741 I HA -0.307 3.863 4.170 -0.001 0.000 0.242 741 I C 2.286 178.449 176.117 0.076 0.000 1.088 741 I CA 1.050 62.363 61.300 0.023 0.000 1.357 741 I CB -0.261 37.718 38.000 -0.036 0.000 1.051 741 I HN 0.252 nan 8.210 nan 0.000 0.409 742 I N 0.532 121.132 120.570 0.050 0.000 2.208 742 I HA -0.293 3.877 4.170 -0.001 0.000 0.245 742 I C 2.432 178.656 176.117 0.179 0.000 1.097 742 I CA 1.427 62.819 61.300 0.153 0.000 1.363 742 I CB -0.283 37.870 38.000 0.256 0.000 1.051 742 I HN 0.180 nan 8.210 nan 0.000 0.413 743 E N 0.360 120.646 120.200 0.142 0.000 2.106 743 E HA -0.202 4.147 4.350 -0.001 0.000 0.192 743 E C 2.164 178.842 176.600 0.129 0.000 0.984 743 E CA 0.931 57.408 56.400 0.128 0.000 0.806 743 E CB -0.138 29.611 29.700 0.082 0.000 0.750 743 E HN 0.434 nan 8.360 nan 0.000 0.458 744 Q N -0.121 119.748 119.800 0.116 0.000 2.077 744 Q HA -0.194 4.145 4.340 -0.001 0.000 0.206 744 Q C 2.184 178.406 176.000 0.369 0.000 0.989 744 Q CA 1.517 57.441 55.803 0.201 0.000 0.853 744 Q CB -0.235 28.639 28.738 0.225 0.000 0.907 744 Q HN 0.294 nan 8.270 nan 0.000 0.418 745 L N -0.413 121.017 121.223 0.344 0.000 1.994 745 L HA -0.200 4.139 4.340 -0.001 0.000 0.208 745 L C 2.539 179.597 176.870 0.314 0.000 1.071 745 L CA 1.067 56.116 54.840 0.348 0.000 0.745 745 L CB -0.520 41.670 42.059 0.219 0.000 0.892 745 L HN 0.132 nan 8.230 nan 0.000 0.431 746 S N -0.150 115.691 115.700 0.235 0.000 2.359 746 S HA -0.186 4.283 4.470 -0.001 0.000 0.224 746 S C 2.167 176.870 174.600 0.172 0.000 1.035 746 S CA 1.737 60.051 58.200 0.191 0.000 1.018 746 S CB -0.264 63.031 63.200 0.158 0.000 0.876 746 S HN 0.624 nan 8.310 nan 0.000 0.448 747 S N 0.148 115.950 115.700 0.169 0.000 2.461 747 S HA 0.263 4.732 4.470 -0.001 0.000 0.228 747 S C 1.453 176.141 174.600 0.146 0.000 1.005 747 S CA 0.913 59.195 58.200 0.138 0.000 0.942 747 S CB -0.104 63.169 63.200 0.123 0.000 0.776 747 S HN 0.891 nan 8.310 nan 0.000 0.514 748 G N 0.394 109.314 108.800 0.200 0.000 2.135 748 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.183 748 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.183 748 G C 0.138 175.132 174.900 0.157 0.000 1.004 748 G CA 0.071 45.280 45.100 0.181 0.000 0.677 748 G HN 0.452 nan 8.290 nan 0.000 0.512 749 F N 0.521 120.482 119.950 0.019 0.000 2.202 749 F HA 0.218 4.745 4.527 -0.001 0.000 0.301 749 F C 1.647 177.241 175.800 -0.344 0.000 1.082 749 F CA 1.417 59.308 58.000 -0.183 0.000 1.313 749 F CB -0.043 38.788 39.000 -0.282 0.000 1.024 749 F HN 0.164 nan 8.300 nan 0.000 0.495 750 F N 0.229 120.235 119.950 0.094 0.000 2.713 750 F HA 0.228 4.754 4.527 -0.001 0.000 0.294 750 F C 0.391 176.284 175.800 0.155 0.000 1.152 750 F CA 0.271 58.294 58.000 0.037 0.000 1.385 750 F CB -0.340 38.700 39.000 0.068 0.000 0.981 750 F HN 0.015 nan 8.300 nan 0.000 0.514 751 S N -1.938 113.849 115.700 0.145 0.000 2.856 751 S HA 0.126 4.596 4.470 -0.001 0.000 0.140 751 S C -2.360 172.240 174.600 0.000 0.000 0.931 751 S CA -0.784 57.453 58.200 0.062 0.000 0.993 751 S CB 0.151 63.345 63.200 -0.009 0.000 1.688 751 S HN -0.089 nan 8.310 nan 0.000 0.529 752 P HA -0.130 nan 4.420 nan 0.000 0.215 752 P C 1.156 178.442 177.300 -0.024 0.000 1.153 752 P CA 1.301 64.376 63.100 -0.041 0.000 0.853 752 P CB 0.041 31.693 31.700 -0.080 0.000 0.788 753 K N -0.845 119.539 120.400 -0.028 0.000 2.209 753 K HA -0.080 4.240 4.320 -0.001 0.000 0.204 753 K C 1.512 178.102 176.600 -0.016 0.000 1.048 753 K CA 0.864 57.139 56.287 -0.019 0.000 0.940 753 K CB -0.035 32.455 32.500 -0.017 0.000 0.729 753 K HN 0.208 nan 8.250 nan 0.000 0.451 754 Q N -0.393 119.393 119.800 -0.023 0.000 3.244 754 Q HA 0.133 4.472 4.340 -0.001 0.000 0.249 754 Q C -2.386 173.593 176.000 -0.035 0.000 0.951 754 Q CA -1.661 54.123 55.803 -0.031 0.000 0.740 754 Q CB 1.433 30.145 28.738 -0.043 0.000 1.334 754 Q HN -0.074 nan 8.270 nan 0.000 0.448 755 P HA -0.189 nan 4.420 nan 0.000 0.216 755 P C 0.189 177.511 177.300 0.037 0.000 1.150 755 P CA 1.540 64.656 63.100 0.027 0.000 0.843 755 P CB 0.222 31.943 31.700 0.034 0.000 0.787 756 D N -2.153 118.255 120.400 0.014 0.000 2.358 756 D HA 0.001 4.641 4.640 -0.001 0.000 0.224 756 D C 1.494 177.777 176.300 -0.027 0.000 1.123 756 D CA -0.325 53.691 54.000 0.027 0.000 0.833 756 D CB -0.880 39.942 40.800 0.037 0.000 0.946 756 D HN -0.109 nan 8.370 nan 0.000 0.505 757 L N -0.223 120.910 121.223 -0.150 0.000 2.103 757 L HA -0.145 4.195 4.340 -0.001 0.000 0.215 757 L C 0.796 177.433 176.870 -0.388 0.000 1.080 757 L CA 1.735 56.362 54.840 -0.354 0.000 0.764 757 L CB -0.517 41.126 42.059 -0.693 0.000 0.890 757 L HN 0.120 nan 8.230 nan 0.000 0.435 758 F N -0.579 119.420 119.950 0.082 0.000 2.639 758 F HA 0.161 4.688 4.527 -0.001 0.000 0.300 758 F C 1.854 177.704 175.800 0.082 0.000 1.109 758 F CA 0.052 58.091 58.000 0.065 0.000 1.335 758 F CB -0.757 38.275 39.000 0.053 0.000 1.014 758 F HN 0.175 nan 8.300 nan 0.000 0.537 759 K N -0.430 120.087 120.400 0.194 0.000 2.103 759 K HA -0.165 4.154 4.320 -0.001 0.000 0.207 759 K C 0.992 177.696 176.600 0.173 0.000 1.048 759 K CA 1.947 58.334 56.287 0.167 0.000 0.930 759 K CB -0.290 32.282 32.500 0.121 0.000 0.716 759 K HN 0.064 nan 8.250 nan 0.000 0.444 760 D N 1.251 121.759 120.400 0.180 0.000 2.144 760 D HA -0.064 4.576 4.640 -0.001 0.000 0.200 760 D C 2.065 178.469 176.300 0.174 0.000 0.978 760 D CA 1.035 55.145 54.000 0.184 0.000 0.833 760 D CB -0.100 40.837 40.800 0.227 0.000 0.961 760 D HN 0.293 nan 8.370 nan 0.000 0.470 761 I N 0.610 121.283 120.570 0.173 0.000 2.252 761 I HA -0.210 3.960 4.170 -0.001 0.000 0.245 761 I C 2.439 178.628 176.117 0.121 0.000 1.102 761 I CA 0.523 61.900 61.300 0.128 0.000 1.385 761 I CB -0.071 37.993 38.000 0.106 0.000 1.064 761 I HN -0.131 nan 8.210 nan 0.000 0.414 762 V N 1.130 121.136 119.914 0.153 0.000 2.261 762 V HA -0.339 3.781 4.120 -0.001 0.000 0.246 762 V C 2.287 178.451 176.094 0.115 0.000 1.047 762 V CA 2.415 64.801 62.300 0.144 0.000 1.015 762 V CB -0.963 30.960 31.823 0.167 0.000 0.642 762 V HN 0.568 nan 8.190 nan 0.000 0.446 763 N N -0.277 118.523 118.700 0.166 0.000 2.104 763 N HA -0.249 4.490 4.740 -0.001 0.000 0.190 763 N C 2.035 177.692 175.510 0.246 0.000 1.024 763 N CA 1.885 55.084 53.050 0.248 0.000 0.853 763 N CB -0.137 38.509 38.487 0.265 0.000 1.008 763 N HN 0.381 nan 8.380 nan 0.000 0.424 764 M N 1.355 121.081 119.600 0.211 0.000 2.086 764 M HA -0.126 4.353 4.480 -0.001 0.000 0.261 764 M C 2.022 178.355 176.300 0.054 0.000 1.067 764 M CA 1.266 56.690 55.300 0.207 0.000 1.116 764 M CB -0.788 31.912 32.600 0.166 0.000 1.348 764 M HN 0.233 nan 8.290 nan 0.000 0.407 765 L N -0.266 120.928 121.223 -0.049 0.000 2.083 765 L HA -0.241 4.098 4.340 -0.001 0.000 0.209 765 L C 2.584 179.172 176.870 -0.471 0.000 1.083 765 L CA 0.928 55.593 54.840 -0.291 0.000 0.752 765 L CB -0.593 41.292 42.059 -0.290 0.000 0.899 765 L HN 0.309 nan 8.230 nan 0.000 0.433 766 M N -1.384 118.010 119.600 -0.343 0.000 2.288 766 M HA -0.081 4.398 4.480 -0.001 0.000 0.266 766 M C 1.673 177.504 176.300 -0.781 0.000 1.072 766 M CA 1.696 56.659 55.300 -0.561 0.000 1.132 766 M CB -0.671 31.513 32.600 -0.693 0.000 1.386 766 M HN 0.332 nan 8.290 nan 0.000 0.432 767 H N -3.212 115.728 119.070 -0.218 0.000 3.622 767 H HA 0.247 4.802 4.556 -0.001 0.000 0.259 767 H C 0.141 175.042 175.328 -0.712 0.000 1.145 767 H CA 0.300 56.074 56.048 -0.456 0.000 1.178 767 H CB 0.410 29.829 29.762 -0.572 0.000 1.542 767 H HN 0.492 nan 8.280 nan 0.000 0.586 768 H N 0.045 119.173 119.070 0.097 0.000 2.885 768 H HA 0.119 4.674 4.556 -0.001 0.000 0.237 768 H C -0.594 174.768 175.328 0.056 0.000 1.229 768 H CA -0.299 55.800 56.048 0.084 0.000 0.947 768 H CB 0.981 30.799 29.762 0.094 0.000 2.223 768 H HN -0.025 nan 8.280 nan 0.000 0.628 769 D N 0.970 121.429 120.400 0.099 0.000 2.374 769 D HA 0.081 4.720 4.640 -0.001 0.000 0.240 769 D C 1.207 177.462 176.300 -0.075 0.000 1.229 769 D CA -0.087 53.942 54.000 0.050 0.000 0.895 769 D CB 0.593 41.405 40.800 0.021 0.000 1.046 769 D HN 0.221 nan 8.370 nan 0.000 0.498 770 R N 2.080 122.450 120.500 -0.216 0.000 2.237 770 R HA -0.021 4.319 4.340 -0.001 0.000 0.219 770 R C 0.663 176.407 176.300 -0.926 0.000 1.080 770 R CA 1.025 56.747 56.100 -0.630 0.000 0.995 770 R CB 0.101 29.818 30.300 -0.973 0.000 0.875 770 R HN 0.390 nan 8.270 nan 0.000 0.462 771 F N -0.158 119.732 119.950 -0.101 0.000 2.683 771 F HA 0.297 4.824 4.527 -0.001 0.000 0.306 771 F C -0.083 175.578 175.800 -0.232 0.000 1.102 771 F CA -0.663 57.269 58.000 -0.113 0.000 1.244 771 F CB 0.361 39.360 39.000 -0.002 0.000 1.029 771 F HN -0.263 nan 8.300 nan 0.000 0.545 772 K N -0.111 120.060 120.400 -0.382 0.000 3.419 772 K HA -0.172 4.148 4.320 -0.001 0.000 0.272 772 K C 0.929 177.371 176.600 -0.263 0.000 0.973 772 K CA 0.159 56.001 56.287 -0.741 0.000 0.749 772 K CB -1.766 30.225 32.500 -0.849 0.000 1.403 772 K HN 0.218 nan 8.250 nan 0.000 0.456 773 V N 0.056 119.915 119.914 -0.092 0.000 2.295 773 V HA -0.269 3.850 4.120 -0.001 0.000 0.246 773 V C 2.007 178.245 176.094 0.240 0.000 1.049 773 V CA 2.094 64.437 62.300 0.071 0.000 1.024 773 V CB -0.457 31.415 31.823 0.082 0.000 0.648 773 V HN 0.423 nan 8.190 nan 0.000 0.447 774 F N 0.884 120.861 119.950 0.044 0.000 2.202 774 F HA -0.107 4.419 4.527 -0.001 0.000 0.301 774 F C 2.453 178.108 175.800 -0.242 0.000 1.082 774 F CA 0.829 58.821 58.000 -0.014 0.000 1.313 774 F CB -1.579 37.433 39.000 0.021 0.000 1.024 774 F HN 0.167 nan 8.300 nan 0.000 0.495 775 A N -0.588 122.082 122.820 -0.249 0.000 2.067 775 A HA -0.143 4.177 4.320 -0.001 0.000 0.219 775 A C 1.626 179.216 177.584 0.009 0.000 1.158 775 A CA 1.787 53.588 52.037 -0.392 0.000 0.661 775 A CB -0.496 18.356 19.000 -0.246 0.000 0.801 775 A HN 0.212 nan 8.150 nan 0.000 0.452 776 D N -2.736 117.728 120.400 0.107 0.000 2.369 776 D HA 0.089 4.728 4.640 -0.001 0.000 0.211 776 D C 1.120 177.604 176.300 0.306 0.000 1.077 776 D CA -0.062 54.074 54.000 0.228 0.000 0.842 776 D CB -0.125 40.815 40.800 0.234 0.000 0.947 776 D HN 0.537 nan 8.370 nan 0.000 0.509 777 Y N 2.236 122.642 120.300 0.178 0.000 2.097 777 Y HA -0.232 4.317 4.550 -0.001 0.000 0.282 777 Y C 1.967 177.964 175.900 0.161 0.000 1.152 777 Y CA 1.921 60.135 58.100 0.189 0.000 1.136 777 Y CB 0.128 38.670 38.460 0.137 0.000 0.975 777 Y HN -0.078 nan 8.280 nan 0.000 0.498 778 E N -0.213 120.054 120.200 0.112 0.000 2.031 778 E HA -0.210 4.140 4.350 -0.001 0.000 0.193 778 E C 2.178 178.752 176.600 -0.043 0.000 0.994 778 E CA 1.280 57.662 56.400 -0.031 0.000 0.800 778 E CB -0.197 29.578 29.700 0.125 0.000 0.752 778 E HN 0.571 nan 8.360 nan 0.000 0.447 779 E N 0.229 120.484 120.200 0.092 0.000 2.097 779 E HA -0.224 4.125 4.350 -0.001 0.000 0.196 779 E C 1.987 178.608 176.600 0.034 0.000 1.000 779 E CA 1.015 57.496 56.400 0.136 0.000 0.804 779 E CB -0.248 29.624 29.700 0.287 0.000 0.740 779 E HN 0.294 nan 8.360 nan 0.000 0.454 780 Y N 1.524 121.672 120.300 -0.253 0.000 2.145 780 Y HA -0.213 4.337 4.550 -0.001 0.000 0.286 780 Y C 2.265 177.768 175.900 -0.660 0.000 1.145 780 Y CA 0.963 58.580 58.100 -0.804 0.000 1.148 780 Y CB -0.539 37.503 38.460 -0.696 0.000 0.981 780 Y HN -0.215 nan 8.280 nan 0.000 0.507 781 V N 0.433 119.982 119.914 -0.609 0.000 2.343 781 V HA -0.307 3.812 4.120 -0.001 0.000 0.247 781 V C 2.267 178.114 176.094 -0.412 0.000 1.051 781 V CA 2.325 64.255 62.300 -0.617 0.000 1.036 781 V CB -0.608 30.890 31.823 -0.542 0.000 0.654 781 V HN 0.271 nan 8.190 nan 0.000 0.451 782 K N -0.750 119.485 120.400 -0.275 0.000 2.057 782 K HA -0.197 4.123 4.320 -0.001 0.000 0.207 782 K C 2.285 178.798 176.600 -0.146 0.000 1.049 782 K CA 1.750 57.946 56.287 -0.152 0.000 0.931 782 K CB -0.647 31.814 32.500 -0.064 0.000 0.714 782 K HN 0.548 nan 8.250 nan 0.000 0.440 783 C N 1.123 120.308 119.300 -0.192 0.000 2.446 783 C HA -0.075 4.384 4.460 -0.001 0.000 0.277 783 C C 2.516 177.344 174.990 -0.269 0.000 1.275 783 C CA 0.695 59.641 59.018 -0.119 0.000 1.727 783 C CB -0.630 27.064 27.740 -0.076 0.000 2.010 783 C HN 0.436 nan 8.230 nan 0.000 0.486 784 Q N 0.541 120.027 119.800 -0.523 0.000 2.181 784 Q HA -0.194 4.145 4.340 -0.001 0.000 0.205 784 Q C 1.944 177.751 176.000 -0.323 0.000 0.980 784 Q CA 1.722 57.177 55.803 -0.581 0.000 0.862 784 Q CB -0.398 27.718 28.738 -1.037 0.000 0.905 784 Q HN 0.765 nan 8.270 nan 0.000 0.429 785 E N 0.109 120.176 120.200 -0.222 0.000 2.106 785 E HA -0.114 4.235 4.350 -0.001 0.000 0.192 785 E C 2.078 178.646 176.600 -0.053 0.000 0.984 785 E CA 0.497 56.833 56.400 -0.108 0.000 0.806 785 E CB 0.034 29.691 29.700 -0.072 0.000 0.750 785 E HN 0.260 nan 8.360 nan 0.000 0.458 786 R N 0.408 120.892 120.500 -0.027 0.000 2.115 786 R HA -0.073 4.266 4.340 -0.001 0.000 0.230 786 R C 2.396 178.744 176.300 0.078 0.000 1.111 786 R CA 0.832 57.000 56.100 0.112 0.000 0.976 786 R CB -0.325 30.131 30.300 0.260 0.000 0.870 786 R HN 0.072 nan 8.270 nan 0.000 0.445 787 V N 0.753 120.483 119.914 -0.307 0.000 2.295 787 V HA -0.259 3.860 4.120 -0.001 0.000 0.246 787 V C 2.249 178.314 176.094 -0.048 0.000 1.049 787 V CA 2.020 63.971 62.300 -0.581 0.000 1.024 787 V CB -0.417 30.980 31.823 -0.710 0.000 0.648 787 V HN 0.283 nan 8.190 nan 0.000 0.447 788 S N 0.028 115.682 115.700 -0.078 0.000 2.356 788 S HA -0.195 4.275 4.470 -0.001 0.000 0.223 788 S C 2.260 176.925 174.600 0.107 0.000 1.032 788 S CA 1.434 59.629 58.200 -0.009 0.000 1.005 788 S CB -0.626 62.540 63.200 -0.057 0.000 0.867 788 S HN 0.655 nan 8.310 nan 0.000 0.449 789 A N 1.463 124.347 122.820 0.107 0.000 1.903 789 A HA -0.177 4.143 4.320 -0.001 0.000 0.219 789 A C 2.148 179.851 177.584 0.198 0.000 1.191 789 A CA 1.889 54.009 52.037 0.139 0.000 0.638 789 A CB -0.899 18.177 19.000 0.127 0.000 0.823 789 A HN 0.433 nan 8.150 nan 0.000 0.451 790 L N -2.152 119.251 121.223 0.300 0.000 2.093 790 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 790 L C 2.271 179.395 176.870 0.423 0.000 1.085 790 L CA 2.124 57.210 54.840 0.410 0.000 0.755 790 L CB -0.740 41.696 42.059 0.629 0.000 0.904 790 L HN 0.510 nan 8.230 nan 0.000 0.435 791 Y N 0.286 120.704 120.300 0.196 0.000 2.293 791 Y HA -0.197 4.352 4.550 -0.001 0.000 0.291 791 Y C 2.252 178.082 175.900 -0.117 0.000 1.137 791 Y CA 1.543 59.515 58.100 -0.212 0.000 1.202 791 Y CB -0.066 38.046 38.460 -0.579 0.000 0.990 791 Y HN 0.172 nan 8.280 nan 0.000 0.537 792 K N -0.097 120.362 120.400 0.098 0.000 2.360 792 K HA -0.164 4.156 4.320 -0.001 0.000 0.201 792 K C 0.343 176.938 176.600 -0.009 0.000 1.046 792 K CA 0.828 57.151 56.287 0.059 0.000 0.945 792 K CB -0.188 32.376 32.500 0.107 0.000 0.750 792 K HN 0.093 nan 8.250 nan 0.000 0.464 793 N N 0.620 119.327 118.700 0.011 0.000 2.936 793 N HA 0.129 4.868 4.740 -0.001 0.000 0.243 793 N C -2.393 173.120 175.510 0.005 0.000 1.149 793 N CA -2.297 50.763 53.050 0.016 0.000 0.914 793 N CB 1.251 39.778 38.487 0.067 0.000 1.179 793 N HN -0.205 nan 8.380 nan 0.000 0.502 794 P HA -0.178 nan 4.420 nan 0.000 0.215 794 P C 1.396 178.705 177.300 0.015 0.000 1.157 794 P CA 1.167 64.196 63.100 -0.119 0.000 0.874 794 P CB 0.380 31.989 31.700 -0.151 0.000 0.790 795 R N 0.167 120.676 120.500 0.014 0.000 2.083 795 R HA -0.168 4.172 4.340 -0.001 0.000 0.237 795 R C 1.908 178.246 176.300 0.063 0.000 1.137 795 R CA 1.566 57.685 56.100 0.032 0.000 0.951 795 R CB -0.467 29.844 30.300 0.018 0.000 0.851 795 R HN 0.068 nan 8.270 nan 0.000 0.434 796 E N -0.103 120.145 120.200 0.079 0.000 2.216 796 E HA -0.194 4.156 4.350 -0.001 0.000 0.192 796 E C 1.566 178.235 176.600 0.114 0.000 0.988 796 E CA 0.523 56.972 56.400 0.082 0.000 0.834 796 E CB -0.389 29.358 29.700 0.078 0.000 0.772 796 E HN 0.524 nan 8.360 nan 0.000 0.479 797 W N 2.144 123.432 121.300 -0.021 0.000 2.354 797 W HA -0.181 4.479 4.660 -0.001 0.000 0.315 797 W C 1.581 178.089 176.519 -0.019 0.000 1.206 797 W CA 2.059 59.398 57.345 -0.009 0.000 1.290 797 W CB -0.406 29.007 29.460 -0.079 0.000 1.152 797 W HN 0.023 nan 8.180 nan 0.000 0.489 798 T N 1.145 115.806 114.554 0.179 0.000 2.821 798 T HA -0.153 4.196 4.350 -0.001 0.000 0.267 798 T C 1.872 176.569 174.700 -0.005 0.000 1.046 798 T CA 1.524 63.666 62.100 0.071 0.000 1.139 798 T CB -0.284 68.625 68.868 0.068 0.000 0.871 798 T HN 0.165 nan 8.240 nan 0.000 0.454 799 R N 0.463 120.970 120.500 0.011 0.000 2.096 799 R HA 0.055 4.394 4.340 -0.001 0.000 0.235 799 R C 2.508 178.790 176.300 -0.030 0.000 1.127 799 R CA 1.278 57.386 56.100 0.013 0.000 0.968 799 R CB -0.356 29.958 30.300 0.025 0.000 0.861 799 R HN 0.382 nan 8.270 nan 0.000 0.440 800 M N 0.509 120.053 119.600 -0.093 0.000 2.175 800 M HA -0.129 4.351 4.480 -0.001 0.000 0.264 800 M C 1.962 178.143 176.300 -0.198 0.000 1.063 800 M CA 1.372 56.574 55.300 -0.163 0.000 1.119 800 M CB 0.166 32.616 32.600 -0.250 0.000 1.377 800 M HN -0.037 nan 8.290 nan 0.000 0.415 801 V N 1.011 120.781 119.914 -0.240 0.000 2.332 801 V HA -0.314 3.806 4.120 -0.001 0.000 0.248 801 V C 2.256 178.310 176.094 -0.067 0.000 1.055 801 V CA 2.019 64.205 62.300 -0.190 0.000 1.038 801 V CB -0.629 31.099 31.823 -0.158 0.000 0.651 801 V HN 0.518 nan 8.190 nan 0.000 0.450 802 I N -0.412 120.150 120.570 -0.013 0.000 2.151 802 I HA -0.309 3.861 4.170 -0.001 0.000 0.243 802 I C 2.690 178.849 176.117 0.071 0.000 1.080 802 I CA 1.752 63.102 61.300 0.083 0.000 1.339 802 I CB -0.494 37.606 38.000 0.168 0.000 1.039 802 I HN 0.231 nan 8.210 nan 0.000 0.409 803 R N 0.498 121.015 120.500 0.028 0.000 2.170 803 R HA -0.161 4.179 4.340 -0.001 0.000 0.242 803 R C 1.961 178.286 176.300 0.042 0.000 1.145 803 R CA 1.259 57.374 56.100 0.026 0.000 0.984 803 R CB -0.486 29.813 30.300 -0.002 0.000 0.869 803 R HN 0.567 nan 8.270 nan 0.000 0.455 804 N N 0.423 119.130 118.700 0.012 0.000 2.197 804 N HA -0.014 4.725 4.740 -0.001 0.000 0.184 804 N C 1.965 177.525 175.510 0.084 0.000 1.030 804 N CA 0.840 53.914 53.050 0.040 0.000 0.851 804 N CB 0.040 38.475 38.487 -0.088 0.000 1.003 804 N HN 0.082 nan 8.380 nan 0.000 0.430 805 I N 1.927 122.533 120.570 0.059 0.000 2.151 805 I HA -0.272 3.897 4.170 -0.001 0.000 0.243 805 I C 2.447 178.616 176.117 0.088 0.000 1.080 805 I CA 1.184 62.531 61.300 0.078 0.000 1.339 805 I CB -0.395 37.648 38.000 0.071 0.000 1.039 805 I HN 0.084 nan 8.210 nan 0.000 0.409 806 A N -1.070 121.802 122.820 0.086 0.000 2.131 806 A HA -0.209 4.111 4.320 -0.001 0.000 0.220 806 A C 2.228 179.852 177.584 0.067 0.000 1.158 806 A CA 2.303 54.380 52.037 0.067 0.000 0.665 806 A CB -0.608 18.430 19.000 0.063 0.000 0.795 806 A HN 0.429 nan 8.150 nan 0.000 0.460 807 T N -1.288 113.327 114.554 0.101 0.000 3.145 807 T HA 0.153 4.502 4.350 -0.001 0.000 0.281 807 T C 1.354 176.171 174.700 0.195 0.000 1.003 807 T CA 0.677 62.848 62.100 0.118 0.000 0.901 807 T CB -0.438 68.502 68.868 0.120 0.000 1.112 807 T HN 0.583 nan 8.240 nan 0.000 0.535 808 S N -0.903 114.926 115.700 0.215 0.000 2.593 808 S HA 0.192 4.662 4.470 -0.001 0.000 0.217 808 S C 2.261 177.020 174.600 0.264 0.000 0.966 808 S CA 0.514 58.926 58.200 0.354 0.000 0.914 808 S CB -0.294 63.069 63.200 0.273 0.000 0.776 808 S HN 0.438 nan 8.310 nan 0.000 0.523 809 G N 2.782 111.646 108.800 0.107 0.000 2.505 809 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.220 809 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.220 809 G C 1.307 176.158 174.900 -0.082 0.000 1.145 809 G CA 1.130 46.252 45.100 0.036 0.000 0.761 809 G HN 0.610 nan 8.290 nan 0.000 0.571 810 K N -0.365 119.861 120.400 -0.290 0.000 2.228 810 K HA -0.123 4.196 4.320 -0.001 0.000 0.205 810 K C 1.409 177.653 176.600 -0.592 0.000 1.045 810 K CA 1.166 57.111 56.287 -0.569 0.000 0.931 810 K CB -0.268 31.666 32.500 -0.945 0.000 0.727 810 K HN 0.376 nan 8.250 nan 0.000 0.458 811 F N 0.616 120.601 119.950 0.059 0.000 2.692 811 F HA 0.194 4.720 4.527 -0.001 0.000 0.303 811 F C 0.855 176.707 175.800 0.086 0.000 1.114 811 F CA -0.301 57.740 58.000 0.069 0.000 1.361 811 F CB 0.022 39.059 39.000 0.062 0.000 1.063 811 F HN -0.163 nan 8.300 nan 0.000 0.550 812 S N 0.331 116.118 115.700 0.146 0.000 2.533 812 S HA 0.049 4.519 4.470 -0.001 0.000 0.282 812 S C 1.526 176.214 174.600 0.146 0.000 1.304 812 S CA 0.096 58.380 58.200 0.139 0.000 1.063 812 S CB 0.574 63.826 63.200 0.086 0.000 0.881 812 S HN 0.394 nan 8.310 nan 0.000 0.493 813 S N 3.430 119.241 115.700 0.186 0.000 2.474 813 S HA -0.081 4.389 4.470 -0.001 0.000 0.235 813 S C 1.021 175.688 174.600 0.112 0.000 0.997 813 S CA 0.693 59.026 58.200 0.221 0.000 0.949 813 S CB -0.297 63.098 63.200 0.325 0.000 0.766 813 S HN 0.785 nan 8.310 nan 0.000 0.517 814 D N 1.967 122.414 120.400 0.078 0.000 2.117 814 D HA -0.094 4.545 4.640 -0.001 0.000 0.197 814 D C 2.091 178.402 176.300 0.018 0.000 0.987 814 D CA 0.791 54.814 54.000 0.038 0.000 0.829 814 D CB -0.385 40.437 40.800 0.036 0.000 0.961 814 D HN 0.268 nan 8.370 nan 0.000 0.460 815 R N 0.823 121.336 120.500 0.022 0.000 2.083 815 R HA -0.120 4.219 4.340 -0.001 0.000 0.237 815 R C 1.926 178.223 176.300 -0.004 0.000 1.137 815 R CA 1.626 57.724 56.100 -0.003 0.000 0.951 815 R CB -0.826 29.459 30.300 -0.025 0.000 0.851 815 R HN 0.156 nan 8.270 nan 0.000 0.434 816 T N 2.049 116.626 114.554 0.037 0.000 2.708 816 T HA -0.113 4.237 4.350 -0.001 0.000 0.266 816 T C 1.943 176.660 174.700 0.028 0.000 1.037 816 T CA 1.289 63.432 62.100 0.072 0.000 1.146 816 T CB -0.134 68.862 68.868 0.214 0.000 0.865 816 T HN 0.102 nan 8.240 nan 0.000 0.435 817 I N 1.722 122.227 120.570 -0.109 0.000 2.286 817 I HA -0.099 4.070 4.170 -0.001 0.000 0.248 817 I C 2.880 178.946 176.117 -0.085 0.000 1.115 817 I CA 0.974 62.154 61.300 -0.200 0.000 1.392 817 I CB -1.574 36.307 38.000 -0.198 0.000 1.065 817 I HN 0.199 nan 8.210 nan 0.000 0.418 818 A N 0.057 122.852 122.820 -0.041 0.000 1.972 818 A HA -0.217 4.102 4.320 -0.001 0.000 0.219 818 A C 2.227 179.766 177.584 -0.075 0.000 1.169 818 A CA 1.234 53.254 52.037 -0.028 0.000 0.635 818 A CB -0.489 18.505 19.000 -0.010 0.000 0.810 818 A HN 0.512 nan 8.150 nan 0.000 0.446 819 Q N -1.607 118.129 119.800 -0.107 0.000 2.046 819 Q HA -0.188 4.151 4.340 -0.001 0.000 0.200 819 Q C 1.917 177.735 176.000 -0.304 0.000 0.975 819 Q CA 1.713 57.411 55.803 -0.176 0.000 0.836 819 Q CB -0.379 28.245 28.738 -0.189 0.000 0.896 819 Q HN 0.808 nan 8.270 nan 0.000 0.428 820 Y N 0.798 120.798 120.300 -0.501 0.000 2.081 820 Y HA -0.336 4.214 4.550 -0.001 0.000 0.280 820 Y C 2.550 177.844 175.900 -1.010 0.000 1.163 820 Y CA 1.410 58.936 58.100 -0.956 0.000 1.135 820 Y CB -0.587 36.981 38.460 -1.486 0.000 0.970 820 Y HN 0.175 nan 8.280 nan 0.000 0.498 821 A N 0.191 122.757 122.820 -0.424 0.000 1.865 821 A HA -0.253 4.066 4.320 -0.001 0.000 0.217 821 A C 2.214 179.821 177.584 0.038 0.000 1.191 821 A CA 2.254 54.333 52.037 0.069 0.000 0.623 821 A CB -0.636 18.482 19.000 0.196 0.000 0.826 821 A HN 0.460 nan 8.150 nan 0.000 0.444 822 R N -0.679 119.799 120.500 -0.037 0.000 2.093 822 R HA -0.009 4.330 4.340 -0.001 0.000 0.224 822 R C 1.826 178.101 176.300 -0.040 0.000 1.101 822 R CA 1.455 57.543 56.100 -0.019 0.000 0.979 822 R CB -0.125 30.159 30.300 -0.027 0.000 0.877 822 R HN 0.675 nan 8.270 nan 0.000 0.441 823 E N -0.677 119.456 120.200 -0.112 0.000 2.431 823 E HA 0.110 4.459 4.350 -0.001 0.000 0.200 823 E C 1.311 177.862 176.600 -0.083 0.000 0.995 823 E CA 0.415 56.754 56.400 -0.102 0.000 0.915 823 E CB 0.596 30.206 29.700 -0.150 0.000 0.930 823 E HN 0.290 nan 8.360 nan 0.000 0.496 824 I N -0.968 119.521 120.570 -0.134 0.000 3.623 824 I HA 0.017 4.186 4.170 -0.001 0.000 0.253 824 I C 1.435 177.696 176.117 0.240 0.000 1.144 824 I CA -0.121 61.167 61.300 -0.020 0.000 1.461 824 I CB 0.083 37.935 38.000 -0.246 0.000 1.575 824 I HN 0.100 nan 8.210 nan 0.000 0.445 825 W N 1.737 123.135 121.300 0.164 0.000 2.467 825 W HA 0.191 4.850 4.660 -0.001 0.000 0.275 825 W C 1.545 178.110 176.519 0.076 0.000 1.239 825 W CA 1.124 58.550 57.345 0.136 0.000 1.266 825 W CB -1.278 28.248 29.460 0.111 0.000 1.112 825 W HN 0.401 nan 8.180 nan 0.000 0.576 826 G N 0.776 109.726 108.800 0.251 0.000 2.256 826 G HA2 -0.114 3.845 3.960 -0.001 0.000 0.272 826 G HA3 -0.114 3.845 3.960 -0.001 0.000 0.272 826 G C -0.278 174.704 174.900 0.137 0.000 1.076 826 G CA 0.189 45.374 45.100 0.142 0.000 0.882 826 G HN 0.444 nan 8.290 nan 0.000 0.497 827 V N -3.974 116.046 119.914 0.176 0.000 2.769 827 V HA 0.887 5.007 4.120 -0.001 0.000 0.312 827 V C -0.131 176.031 176.094 0.114 0.000 1.061 827 V CA -1.700 60.683 62.300 0.138 0.000 0.931 827 V CB 2.321 34.238 31.823 0.157 0.000 1.010 827 V HN 0.130 nan 8.190 nan 0.000 0.433 828 E N 4.440 124.688 120.200 0.081 0.000 2.167 828 E HA 0.487 4.836 4.350 -0.001 0.000 0.284 828 E C -2.365 174.279 176.600 0.073 0.000 1.016 828 E CA -1.657 54.783 56.400 0.067 0.000 0.817 828 E CB 1.696 31.426 29.700 0.050 0.000 1.080 828 E HN 0.764 nan 8.360 nan 0.000 0.397 829 P HA 0.152 nan 4.420 nan 0.000 0.274 829 P C -0.604 176.732 177.300 0.059 0.000 1.246 829 P CA -0.419 62.723 63.100 0.070 0.000 0.795 829 P CB 0.971 32.709 31.700 0.063 0.000 1.006 830 S N -0.074 115.663 115.700 0.061 0.000 2.543 830 S HA 0.345 4.815 4.470 -0.001 0.000 0.273 830 S C -0.175 174.456 174.600 0.051 0.000 1.152 830 S CA -0.847 57.386 58.200 0.055 0.000 0.910 830 S CB 1.080 64.318 63.200 0.063 0.000 1.105 830 S HN 0.358 nan 8.310 nan 0.000 0.465 831 R N 2.168 122.692 120.500 0.041 0.000 2.609 831 R HA 0.206 4.546 4.340 -0.001 0.000 0.326 831 R C -0.282 176.031 176.300 0.023 0.000 1.090 831 R CA -0.218 55.904 56.100 0.037 0.000 1.072 831 R CB 0.318 30.642 30.300 0.040 0.000 1.330 831 R HN 0.596 nan 8.270 nan 0.000 0.572 832 Q N 1.292 121.105 119.800 0.021 0.000 2.296 832 Q HA 0.125 4.465 4.340 -0.001 0.000 0.262 832 Q C -0.345 175.648 176.000 -0.013 0.000 0.981 832 Q CA -0.196 55.610 55.803 0.006 0.000 0.905 832 Q CB 0.785 29.530 28.738 0.012 0.000 1.186 832 Q HN -0.150 nan 8.270 nan 0.000 0.399 833 R N 1.527 122.010 120.500 -0.027 0.000 2.537 833 R HA 0.001 4.341 4.340 -0.001 0.000 0.281 833 R C -0.520 175.738 176.300 -0.069 0.000 0.988 833 R CA -0.005 56.066 56.100 -0.049 0.000 1.077 833 R CB -0.007 30.264 30.300 -0.049 0.000 0.932 833 R HN 0.399 nan 8.270 nan 0.000 0.409 834 L N 5.866 127.032 121.223 -0.095 0.000 2.436 834 L HA 0.352 4.691 4.340 -0.001 0.000 0.265 834 L C -1.863 174.947 176.870 -0.100 0.000 1.168 834 L CA -2.160 52.595 54.840 -0.143 0.000 0.815 834 L CB 0.421 42.370 42.059 -0.183 0.000 1.109 834 L HN 0.560 nan 8.230 nan 0.000 0.462 835 P HA 0.249 nan 4.420 nan 0.000 0.272 835 P C -0.542 176.729 177.300 -0.048 0.000 1.230 835 P CA -0.230 62.833 63.100 -0.061 0.000 0.788 835 P CB 0.303 31.972 31.700 -0.052 0.000 0.949 836 A N 0.000 122.801 122.820 -0.032 0.000 2.254 836 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 836 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 836 A CB 0.000 18.994 19.000 -0.009 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486