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 2f3s_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.983 176.000 -0.028 0.000 1.003 12 Q CA 0.000 55.774 55.803 -0.049 0.000 1.022 12 Q CB 0.000 28.704 28.738 -0.057 0.000 1.108 13 I N -0.317 120.242 120.570 -0.019 0.000 2.525 13 I HA 0.563 4.729 4.170 -0.006 0.000 0.301 13 I C 0.983 177.100 176.117 0.000 0.000 0.992 13 I CA -0.264 61.033 61.300 -0.005 0.000 1.162 13 I CB 1.919 39.920 38.000 0.002 0.000 1.332 13 I HN 0.299 nan 8.210 nan 0.000 0.458 14 S N 3.748 119.453 115.700 0.009 0.000 2.369 14 S HA -0.200 4.266 4.470 -0.006 0.000 0.225 14 S C 1.826 176.435 174.600 0.016 0.000 1.043 14 S CA 2.479 60.686 58.200 0.013 0.000 1.074 14 S CB -0.630 62.583 63.200 0.022 0.000 0.962 14 S HN 0.835 nan 8.310 nan 0.000 0.433 15 V N 0.162 120.094 119.914 0.030 0.000 2.982 15 V HA 0.008 4.124 4.120 -0.006 0.000 0.265 15 V C 1.899 178.007 176.094 0.024 0.000 1.122 15 V CA 1.756 64.077 62.300 0.035 0.000 1.143 15 V CB -1.104 30.748 31.823 0.049 0.000 0.726 15 V HN 0.405 nan 8.190 nan 0.000 0.507 16 R N 1.226 121.732 120.500 0.009 0.000 2.335 16 R HA 0.425 4.761 4.340 -0.006 0.000 0.223 16 R C 1.143 177.434 176.300 -0.016 0.000 0.940 16 R CA 0.532 56.631 56.100 -0.002 0.000 1.086 16 R CB -0.135 30.160 30.300 -0.009 0.000 1.073 16 R HN 0.794 nan 8.270 nan 0.000 0.504 17 G N 0.640 109.430 108.800 -0.016 0.000 2.796 17 G HA2 -0.230 3.726 3.960 -0.006 0.000 0.571 17 G HA3 -0.230 3.726 3.960 -0.006 0.000 0.571 17 G C -0.738 174.146 174.900 -0.028 0.000 1.370 17 G CA -1.045 44.037 45.100 -0.031 0.000 0.856 17 G HN -0.004 nan 8.290 nan 0.000 0.538 18 L N 0.153 121.357 121.223 -0.032 0.000 2.399 18 L HA 0.694 5.030 4.340 -0.006 0.000 0.266 18 L C 1.195 178.049 176.870 -0.027 0.000 1.114 18 L CA 0.320 55.144 54.840 -0.026 0.000 0.804 18 L CB 1.104 43.148 42.059 -0.024 0.000 1.146 18 L HN 1.589 nan 8.230 nan 0.000 0.451 19 A N 1.642 124.450 122.820 -0.020 0.000 3.150 19 A HA 0.579 4.895 4.320 -0.006 0.000 0.328 19 A C 0.644 178.222 177.584 -0.009 0.000 1.104 19 A CA -0.341 51.686 52.037 -0.016 0.000 0.937 19 A CB -0.239 18.751 19.000 -0.016 0.000 1.073 19 A HN 0.798 nan 8.150 nan 0.000 0.497 20 G N -0.323 108.472 108.800 -0.009 0.000 2.554 20 G HA2 0.336 4.292 3.960 -0.006 0.000 0.238 20 G HA3 0.336 4.292 3.960 -0.006 0.000 0.238 20 G C 1.020 175.922 174.900 0.004 0.000 1.259 20 G CA 0.078 45.176 45.100 -0.003 0.000 0.843 20 G HN 0.448 nan 8.290 nan 0.000 0.582 21 V N 1.432 121.350 119.914 0.006 0.000 2.295 21 V HA -0.158 3.958 4.120 -0.006 0.000 0.246 21 V C 2.718 178.821 176.094 0.015 0.000 1.049 21 V CA 2.381 64.688 62.300 0.011 0.000 1.024 21 V CB -0.691 31.138 31.823 0.009 0.000 0.648 21 V HN 0.754 nan 8.190 nan 0.000 0.447 22 E N 0.548 120.757 120.200 0.016 0.000 2.051 22 E HA -0.185 4.161 4.350 -0.006 0.000 0.192 22 E C 2.085 178.704 176.600 0.032 0.000 0.991 22 E CA 1.647 58.060 56.400 0.023 0.000 0.799 22 E CB -0.365 29.348 29.700 0.021 0.000 0.748 22 E HN 0.604 nan 8.360 nan 0.000 0.449 23 N N -0.771 117.945 118.700 0.028 0.000 2.084 23 N HA -0.135 4.601 4.740 -0.006 0.000 0.190 23 N C 1.647 177.180 175.510 0.038 0.000 1.030 23 N CA 1.195 54.266 53.050 0.034 0.000 0.849 23 N CB -0.180 38.311 38.487 0.006 0.000 1.012 23 N HN -0.017 nan 8.380 nan 0.000 0.423 24 V N 0.192 120.120 119.914 0.024 0.000 2.343 24 V HA -0.223 3.893 4.120 -0.006 0.000 0.247 24 V C 2.003 178.118 176.094 0.034 0.000 1.051 24 V CA 1.857 64.172 62.300 0.024 0.000 1.036 24 V CB -0.882 30.951 31.823 0.017 0.000 0.654 24 V HN 0.414 nan 8.190 nan 0.000 0.451 25 T N -0.637 113.937 114.554 0.034 0.000 2.777 25 T HA -0.199 4.147 4.350 -0.006 0.000 0.266 25 T C 1.919 176.653 174.700 0.057 0.000 1.040 25 T CA 1.691 63.813 62.100 0.037 0.000 1.141 25 T CB -0.169 68.717 68.868 0.030 0.000 0.868 25 T HN 0.475 nan 8.240 nan 0.000 0.444 26 E N 1.149 121.390 120.200 0.069 0.000 2.051 26 E HA -0.025 4.321 4.350 -0.006 0.000 0.192 26 E C 2.046 178.726 176.600 0.132 0.000 0.991 26 E CA 0.970 57.426 56.400 0.093 0.000 0.799 26 E CB -0.556 29.207 29.700 0.105 0.000 0.748 26 E HN 0.436 nan 8.360 nan 0.000 0.449 27 L N 0.225 121.534 121.223 0.142 0.000 2.042 27 L HA -0.211 4.125 4.340 -0.006 0.000 0.210 27 L C 2.486 179.466 176.870 0.183 0.000 1.076 27 L CA 1.629 56.578 54.840 0.182 0.000 0.749 27 L CB -0.405 41.729 42.059 0.124 0.000 0.893 27 L HN 0.092 nan 8.230 nan 0.000 0.432 28 K N 0.518 120.985 120.400 0.112 0.000 2.057 28 K HA -0.207 4.109 4.320 -0.006 0.000 0.207 28 K C 2.126 178.830 176.600 0.173 0.000 1.049 28 K CA 1.798 58.145 56.287 0.101 0.000 0.931 28 K CB -0.134 32.386 32.500 0.032 0.000 0.714 28 K HN 0.416 nan 8.250 nan 0.000 0.440 29 K N 0.369 120.849 120.400 0.132 0.000 2.097 29 K HA -0.060 4.257 4.320 -0.006 0.000 0.205 29 K C 1.617 178.303 176.600 0.144 0.000 1.050 29 K CA 1.292 57.651 56.287 0.120 0.000 0.938 29 K CB -0.170 32.376 32.500 0.077 0.000 0.718 29 K HN 0.021 nan 8.250 nan 0.000 0.442 30 N N 0.461 119.260 118.700 0.165 0.000 2.270 30 N HA -0.101 4.636 4.740 -0.006 0.000 0.181 30 N C 1.572 177.233 175.510 0.252 0.000 1.016 30 N CA 0.869 54.012 53.050 0.155 0.000 0.870 30 N CB -0.208 38.383 38.487 0.173 0.000 0.979 30 N HN 0.209 nan 8.380 nan 0.000 0.431 31 F N 2.466 122.513 119.950 0.163 0.000 2.113 31 F HA -0.051 4.473 4.527 -0.006 0.000 0.297 31 F C 1.986 177.887 175.800 0.168 0.000 1.103 31 F CA 1.193 59.304 58.000 0.186 0.000 1.248 31 F CB -0.141 38.940 39.000 0.135 0.000 0.999 31 F HN -0.043 nan 8.300 nan 0.000 0.475 32 N N 0.477 119.376 118.700 0.333 0.000 2.244 32 N HA -0.167 4.569 4.740 -0.006 0.000 0.183 32 N C 2.015 177.582 175.510 0.094 0.000 1.016 32 N CA 1.010 54.178 53.050 0.196 0.000 0.866 32 N CB -0.479 38.113 38.487 0.175 0.000 0.980 32 N HN 0.381 nan 8.380 nan 0.000 0.430 33 R N 0.297 120.858 120.500 0.102 0.000 2.073 33 R HA -0.086 4.250 4.340 -0.006 0.000 0.234 33 R C 1.809 178.170 176.300 0.101 0.000 1.134 33 R CA 1.445 57.629 56.100 0.140 0.000 0.952 33 R CB -0.221 30.109 30.300 0.050 0.000 0.850 33 R HN 0.345 nan 8.270 nan 0.000 0.433 34 H N -0.341 118.758 119.070 0.048 0.000 2.387 34 H HA -0.126 4.426 4.556 -0.006 0.000 0.299 34 H C 1.870 177.118 175.328 -0.133 0.000 1.090 34 H CA 1.473 57.486 56.048 -0.058 0.000 1.332 34 H CB 0.070 29.763 29.762 -0.115 0.000 1.386 34 H HN 0.136 nan 8.280 nan 0.000 0.516 35 L N -0.058 121.125 121.223 -0.067 0.000 2.083 35 L HA -0.189 4.147 4.340 -0.006 0.000 0.209 35 L C 2.172 179.000 176.870 -0.069 0.000 1.083 35 L CA 1.859 56.629 54.840 -0.117 0.000 0.752 35 L CB -0.444 41.543 42.059 -0.120 0.000 0.899 35 L HN 0.298 nan 8.230 nan 0.000 0.433 36 H N -1.658 117.310 119.070 -0.171 0.000 2.276 36 H HA -0.056 4.496 4.556 -0.006 0.000 0.307 36 H C 1.809 176.922 175.328 -0.359 0.000 1.061 36 H CA 2.289 58.144 56.048 -0.322 0.000 1.336 36 H CB -0.311 29.145 29.762 -0.510 0.000 1.396 36 H HN 0.279 nan 8.280 nan 0.000 0.503 37 F N -0.308 119.617 119.950 -0.042 0.000 2.234 37 F HA -0.040 4.483 4.527 -0.007 0.000 0.296 37 F C 2.626 178.346 175.800 -0.134 0.000 1.089 37 F CA 1.450 59.382 58.000 -0.114 0.000 1.343 37 F CB -0.515 38.454 39.000 -0.051 0.000 1.040 37 F HN 0.187 nan 8.300 nan 0.000 0.498 38 T N -0.099 114.485 114.554 0.049 0.000 2.901 38 T HA 0.063 4.409 4.350 -0.006 0.000 0.252 38 T C 1.959 176.564 174.700 -0.158 0.000 1.035 38 T CA 0.856 62.913 62.100 -0.071 0.000 1.142 38 T CB -0.282 68.517 68.868 -0.115 0.000 0.869 38 T HN 0.116 nan 8.240 nan 0.000 0.442 39 L N 1.143 122.270 121.223 -0.160 0.000 2.529 39 L HA 0.213 4.549 4.340 -0.006 0.000 0.223 39 L C 0.297 177.066 176.870 -0.169 0.000 1.113 39 L CA -0.113 54.621 54.840 -0.177 0.000 0.861 39 L CB -0.017 41.942 42.059 -0.166 0.000 1.012 39 L HN -0.028 nan 8.230 nan 0.000 0.461 40 V N 0.869 120.667 119.914 -0.193 0.000 6.016 40 V HA -0.300 3.817 4.120 -0.006 0.000 0.265 40 V C -0.018 175.958 176.094 -0.197 0.000 0.621 40 V CA 1.173 63.332 62.300 -0.235 0.000 0.592 40 V CB -2.270 29.445 31.823 -0.180 0.000 0.298 40 V HN 0.503 nan 8.190 nan 0.000 0.615 41 K N 0.934 121.223 120.400 -0.185 0.000 2.522 41 K HA 0.695 5.011 4.320 -0.006 0.000 0.275 41 K C -0.966 175.596 176.600 -0.064 0.000 1.006 41 K CA -0.590 55.623 56.287 -0.122 0.000 0.890 41 K CB 2.873 35.297 32.500 -0.125 0.000 1.475 41 K HN 0.506 nan 8.250 nan 0.000 0.441 42 D N -0.138 120.247 120.400 -0.025 0.000 2.547 42 D HA 0.265 4.901 4.640 -0.006 0.000 0.231 42 D C 0.430 176.761 176.300 0.051 0.000 1.099 42 D CA -0.606 53.414 54.000 0.034 0.000 0.901 42 D CB 1.306 42.127 40.800 0.035 0.000 1.478 42 D HN 0.204 nan 8.370 nan 0.000 0.471 43 R N 0.557 121.123 120.500 0.111 0.000 2.316 43 R HA -0.083 4.253 4.340 -0.006 0.000 0.232 43 R C 0.964 177.340 176.300 0.127 0.000 1.137 43 R CA 0.654 56.861 56.100 0.180 0.000 1.012 43 R CB -0.728 29.679 30.300 0.178 0.000 0.859 43 R HN 0.523 nan 8.270 nan 0.000 0.474 44 N N 0.108 118.848 118.700 0.067 0.000 2.416 44 N HA -0.063 4.673 4.740 -0.006 0.000 0.177 44 N C 1.545 177.071 175.510 0.026 0.000 1.036 44 N CA 1.219 54.296 53.050 0.046 0.000 0.901 44 N CB 0.465 38.970 38.487 0.029 0.000 0.976 44 N HN 0.242 nan 8.380 nan 0.000 0.444 45 V N -3.082 116.833 119.914 0.003 0.000 3.502 45 V HA 0.523 4.639 4.120 -0.006 0.000 0.288 45 V C 0.766 176.819 176.094 -0.068 0.000 1.461 45 V CA -0.512 61.773 62.300 -0.024 0.000 1.029 45 V CB -0.213 31.591 31.823 -0.031 0.000 0.843 45 V HN 0.016 nan 8.190 nan 0.000 0.438 46 A N 2.315 125.069 122.820 -0.109 0.000 2.477 46 A HA 0.567 4.883 4.320 -0.006 0.000 0.246 46 A C 0.746 178.133 177.584 -0.328 0.000 1.078 46 A CA 0.865 52.720 52.037 -0.304 0.000 0.770 46 A CB -0.164 18.517 19.000 -0.532 0.000 1.011 46 A HN 0.871 nan 8.150 nan 0.000 0.494 47 T N 0.155 114.519 114.554 -0.316 0.000 2.948 47 T HA 0.580 4.926 4.350 -0.006 0.000 0.285 47 T C -2.135 172.473 174.700 -0.155 0.000 1.019 47 T CA -1.774 60.234 62.100 -0.153 0.000 1.013 47 T CB 1.261 70.088 68.868 -0.068 0.000 1.117 47 T HN 0.240 nan 8.240 nan 0.000 0.533 48 P HA -0.103 nan 4.420 nan 0.000 0.216 48 P C 1.627 179.042 177.300 0.193 0.000 1.150 48 P CA 1.003 64.237 63.100 0.224 0.000 0.843 48 P CB 0.049 31.847 31.700 0.164 0.000 0.787 49 R N -0.078 120.483 120.500 0.102 0.000 2.096 49 R HA -0.147 4.189 4.340 -0.006 0.000 0.235 49 R C 1.633 178.115 176.300 0.303 0.000 1.127 49 R CA 1.794 58.003 56.100 0.183 0.000 0.968 49 R CB -0.692 29.634 30.300 0.044 0.000 0.861 49 R HN 0.088 nan 8.270 nan 0.000 0.440 50 D N -0.309 120.132 120.400 0.069 0.000 2.117 50 D HA -0.184 4.452 4.640 -0.006 0.000 0.197 50 D C 1.707 178.030 176.300 0.038 0.000 0.987 50 D CA 1.305 55.294 54.000 -0.018 0.000 0.829 50 D CB -0.323 40.316 40.800 -0.269 0.000 0.961 50 D HN 0.304 nan 8.370 nan 0.000 0.460 51 Y N -0.040 120.371 120.300 0.185 0.000 2.242 51 Y HA -0.190 4.356 4.550 -0.006 0.000 0.291 51 Y C 2.303 178.361 175.900 0.263 0.000 1.137 51 Y CA 0.302 58.560 58.100 0.264 0.000 1.181 51 Y CB -1.087 37.577 38.460 0.341 0.000 0.989 51 Y HN 0.091 nan 8.280 nan 0.000 0.527 52 Y N -0.510 119.953 120.300 0.272 0.000 2.145 52 Y HA -0.264 4.282 4.550 -0.007 0.000 0.286 52 Y C 1.926 177.820 175.900 -0.009 0.000 1.145 52 Y CA 1.220 59.379 58.100 0.098 0.000 1.148 52 Y CB -1.136 37.286 38.460 -0.063 0.000 0.981 52 Y HN 0.038 nan 8.280 nan 0.000 0.507 53 F N 0.303 120.022 119.950 -0.385 0.000 2.171 53 F HA -0.119 4.404 4.527 -0.006 0.000 0.300 53 F C 2.650 178.300 175.800 -0.250 0.000 1.090 53 F CA 1.353 59.080 58.000 -0.455 0.000 1.293 53 F CB -0.876 38.034 39.000 -0.150 0.000 1.013 53 F HN 0.202 nan 8.300 nan 0.000 0.486 54 A N -0.127 122.658 122.820 -0.059 0.000 1.902 54 A HA -0.185 4.131 4.320 -0.006 0.000 0.217 54 A C 2.074 179.570 177.584 -0.147 0.000 1.181 54 A CA 1.642 53.515 52.037 -0.272 0.000 0.623 54 A CB -1.032 17.454 19.000 -0.857 0.000 0.818 54 A HN 0.348 nan 8.150 nan 0.000 0.443 55 L N -0.286 120.990 121.223 0.088 0.000 2.056 55 L HA 0.000 4.336 4.340 -0.006 0.000 0.207 55 L C 2.641 179.520 176.870 0.015 0.000 1.078 55 L CA 2.155 57.160 54.840 0.275 0.000 0.749 55 L CB -0.905 41.365 42.059 0.351 0.000 0.901 55 L HN 0.334 nan 8.230 nan 0.000 0.433 56 A N -1.194 121.450 122.820 -0.293 0.000 1.902 56 A HA -0.276 4.040 4.320 -0.006 0.000 0.217 56 A C 2.137 179.381 177.584 -0.567 0.000 1.181 56 A CA 1.991 53.725 52.037 -0.505 0.000 0.623 56 A CB -1.096 17.258 19.000 -1.077 0.000 0.818 56 A HN 0.675 nan 8.150 nan 0.000 0.443 57 H N -0.841 117.921 119.070 -0.514 0.000 2.423 57 H HA -0.047 4.505 4.556 -0.006 0.000 0.297 57 H C 2.302 177.369 175.328 -0.436 0.000 1.075 57 H CA 1.897 57.566 56.048 -0.632 0.000 1.342 57 H CB -0.139 28.974 29.762 -1.081 0.000 1.395 57 H HN 0.461 nan 8.280 nan 0.000 0.530 58 T N -0.399 114.115 114.554 -0.066 0.000 2.737 58 T HA -0.122 4.224 4.350 -0.006 0.000 0.265 58 T C 2.250 177.113 174.700 0.273 0.000 1.038 58 T CA 1.334 63.568 62.100 0.222 0.000 1.144 58 T CB -0.351 68.719 68.868 0.337 0.000 0.866 58 T HN 0.100 nan 8.240 nan 0.000 0.434 59 V N 1.621 121.674 119.914 0.231 0.000 2.427 59 V HA -0.117 3.999 4.120 -0.006 0.000 0.248 59 V C 2.596 178.870 176.094 0.299 0.000 1.051 59 V CA 1.584 64.067 62.300 0.305 0.000 1.048 59 V CB -0.649 31.343 31.823 0.282 0.000 0.666 59 V HN 0.378 nan 8.190 nan 0.000 0.456 60 R N 0.371 120.985 120.500 0.189 0.000 2.091 60 R HA -0.229 4.108 4.340 -0.006 0.000 0.238 60 R C 1.961 178.352 176.300 0.152 0.000 1.136 60 R CA 2.211 58.414 56.100 0.171 0.000 0.959 60 R CB -0.452 29.790 30.300 -0.097 0.000 0.856 60 R HN 0.462 nan 8.270 nan 0.000 0.437 61 D N -0.066 120.403 120.400 0.114 0.000 2.158 61 D HA -0.180 4.456 4.640 -0.006 0.000 0.197 61 D C 1.751 178.049 176.300 -0.004 0.000 0.995 61 D CA 1.177 55.213 54.000 0.059 0.000 0.846 61 D CB -0.424 40.393 40.800 0.029 0.000 0.941 61 D HN 0.460 nan 8.370 nan 0.000 0.456 62 H N -0.304 118.832 119.070 0.109 0.000 2.521 62 H HA 0.033 4.585 4.556 -0.006 0.000 0.286 62 H C 2.226 177.597 175.328 0.071 0.000 1.034 62 H CA 0.410 56.506 56.048 0.080 0.000 1.278 62 H CB 0.243 30.044 29.762 0.066 0.000 1.386 62 H HN 0.212 nan 8.280 nan 0.000 0.567 63 L N 0.460 121.791 121.223 0.181 0.000 2.162 63 L HA -0.105 4.231 4.340 -0.006 0.000 0.205 63 L C 2.770 179.751 176.870 0.185 0.000 1.086 63 L CA 0.475 55.391 54.840 0.126 0.000 0.778 63 L CB -0.169 41.933 42.059 0.071 0.000 0.928 63 L HN 0.104 nan 8.230 nan 0.000 0.446 64 V N -1.877 118.171 119.914 0.224 0.000 2.282 64 V HA -0.211 3.905 4.120 -0.006 0.000 0.249 64 V C 2.295 178.506 176.094 0.196 0.000 1.057 64 V CA 2.193 64.660 62.300 0.278 0.000 1.032 64 V CB -1.851 30.087 31.823 0.191 0.000 0.645 64 V HN 0.400 nan 8.190 nan 0.000 0.447 65 G N 0.298 109.169 108.800 0.117 0.000 2.459 65 G HA2 -0.255 3.701 3.960 -0.006 0.000 0.217 65 G HA3 -0.255 3.701 3.960 -0.006 0.000 0.217 65 G C 1.756 176.705 174.900 0.082 0.000 1.183 65 G CA 1.075 46.219 45.100 0.074 0.000 0.776 65 G HN 0.566 nan 8.290 nan 0.000 0.552 66 R N -1.443 119.113 120.500 0.094 0.000 2.096 66 R HA -0.083 4.253 4.340 -0.006 0.000 0.235 66 R C 2.279 178.659 176.300 0.133 0.000 1.127 66 R CA 1.159 57.301 56.100 0.070 0.000 0.968 66 R CB -0.364 29.961 30.300 0.041 0.000 0.861 66 R HN 0.489 nan 8.270 nan 0.000 0.440 67 W N 1.696 122.974 121.300 -0.036 0.000 2.355 67 W HA -0.069 4.587 4.660 -0.006 0.000 0.309 67 W C 1.738 178.227 176.519 -0.051 0.000 1.206 67 W CA 0.870 58.190 57.345 -0.042 0.000 1.284 67 W CB -0.595 28.858 29.460 -0.011 0.000 1.145 67 W HN -0.049 nan 8.180 nan 0.000 0.502 68 I N 1.066 121.690 120.570 0.090 0.000 2.226 68 I HA -0.339 3.827 4.170 -0.006 0.000 0.245 68 I C 2.621 178.718 176.117 -0.034 0.000 1.100 68 I CA 1.968 63.233 61.300 -0.058 0.000 1.374 68 I CB -0.573 37.398 38.000 -0.048 0.000 1.057 68 I HN 0.006 nan 8.210 nan 0.000 0.413 69 R N 0.085 120.582 120.500 -0.005 0.000 2.153 69 R HA -0.021 4.315 4.340 -0.006 0.000 0.218 69 R C 1.937 178.200 176.300 -0.061 0.000 1.072 69 R CA 1.324 57.412 56.100 -0.021 0.000 0.990 69 R CB -1.079 29.209 30.300 -0.020 0.000 0.889 69 R HN 0.164 nan 8.270 nan 0.000 0.452 70 T N 1.619 116.117 114.554 -0.094 0.000 2.674 70 T HA -0.101 4.245 4.350 -0.006 0.000 0.265 70 T C 1.812 176.251 174.700 -0.434 0.000 1.039 70 T CA 1.308 63.246 62.100 -0.271 0.000 1.150 70 T CB -0.110 68.635 68.868 -0.205 0.000 0.864 70 T HN 0.220 nan 8.240 nan 0.000 0.427 71 Q N 0.818 120.500 119.800 -0.196 0.000 2.124 71 Q HA -0.099 4.237 4.340 -0.006 0.000 0.202 71 Q C 2.340 178.347 176.000 0.013 0.000 0.977 71 Q CA 1.322 57.081 55.803 -0.074 0.000 0.850 71 Q CB -0.518 28.203 28.738 -0.028 0.000 0.901 71 Q HN 0.497 nan 8.270 nan 0.000 0.429 72 Q N 0.037 119.840 119.800 0.004 0.000 2.119 72 Q HA -0.181 4.155 4.340 -0.006 0.000 0.201 72 Q C 1.895 177.983 176.000 0.147 0.000 0.972 72 Q CA 1.841 57.695 55.803 0.086 0.000 0.847 72 Q CB -0.356 28.414 28.738 0.053 0.000 0.903 72 Q HN 0.532 nan 8.270 nan 0.000 0.433 73 H N -0.858 118.181 119.070 -0.051 0.000 2.290 73 H HA -0.185 4.368 4.556 -0.006 0.000 0.298 73 H C 1.190 176.577 175.328 0.099 0.000 1.087 73 H CA 2.360 58.385 56.048 -0.038 0.000 1.291 73 H CB -0.407 29.256 29.762 -0.165 0.000 1.369 73 H HN 0.365 nan 8.280 nan 0.000 0.492 74 Y N -1.034 119.302 120.300 0.061 0.000 2.274 74 Y HA -0.201 4.345 4.550 -0.007 0.000 0.290 74 Y C 2.447 178.377 175.900 0.050 0.000 1.145 74 Y CA 1.088 59.191 58.100 0.006 0.000 1.203 74 Y CB -1.321 37.203 38.460 0.106 0.000 0.984 74 Y HN 0.368 nan 8.280 nan 0.000 0.533 75 Y N 1.224 121.605 120.300 0.135 0.000 2.242 75 Y HA -0.150 4.396 4.550 -0.007 0.000 0.291 75 Y C 2.034 177.947 175.900 0.021 0.000 1.137 75 Y CA 1.418 59.562 58.100 0.073 0.000 1.181 75 Y CB -0.051 38.444 38.460 0.058 0.000 0.989 75 Y HN 0.055 nan 8.280 nan 0.000 0.527 76 E N 0.441 120.626 120.200 -0.025 0.000 2.016 76 E HA -0.153 4.193 4.350 -0.006 0.000 0.190 76 E C 1.992 178.499 176.600 -0.156 0.000 0.985 76 E CA 1.345 57.672 56.400 -0.121 0.000 0.802 76 E CB -0.310 29.374 29.700 -0.026 0.000 0.762 76 E HN 0.481 nan 8.360 nan 0.000 0.448 77 K N 0.660 120.956 120.400 -0.173 0.000 2.296 77 K HA -0.077 4.239 4.320 -0.006 0.000 0.200 77 K C 0.037 176.575 176.600 -0.103 0.000 1.048 77 K CA 0.542 56.736 56.287 -0.155 0.000 0.966 77 K CB 0.001 32.357 32.500 -0.239 0.000 0.754 77 K HN 0.016 nan 8.250 nan 0.000 0.466 78 D N 0.896 121.248 120.400 -0.080 0.000 2.697 78 D HA -0.105 4.531 4.640 -0.006 0.000 0.235 78 D C -2.364 173.912 176.300 -0.040 0.000 1.167 78 D CA 0.052 54.021 54.000 -0.051 0.000 0.656 78 D CB -0.107 40.637 40.800 -0.093 0.000 1.025 78 D HN 0.176 nan 8.370 nan 0.000 0.419 79 P HA 0.083 nan 4.420 nan 0.000 0.275 79 P C -0.146 177.114 177.300 -0.066 0.000 1.266 79 P CA -0.583 62.482 63.100 -0.059 0.000 0.793 79 P CB 0.638 32.289 31.700 -0.081 0.000 1.074 80 K N 1.114 121.478 120.400 -0.060 0.000 2.412 80 K HA 0.075 4.391 4.320 -0.006 0.000 0.281 80 K C -0.052 176.469 176.600 -0.133 0.000 1.027 80 K CA -0.087 56.160 56.287 -0.066 0.000 0.989 80 K CB 0.238 32.715 32.500 -0.038 0.000 0.935 80 K HN 0.249 nan 8.250 nan 0.000 0.475 81 R N 3.462 123.872 120.500 -0.150 0.000 2.404 81 R HA 0.352 4.688 4.340 -0.006 0.000 0.291 81 R C -0.514 175.530 176.300 -0.427 0.000 1.025 81 R CA -0.439 55.491 56.100 -0.283 0.000 0.991 81 R CB 0.825 30.956 30.300 -0.282 0.000 1.053 81 R HN 0.499 nan 8.270 nan 0.000 0.479 82 I N 4.305 124.560 120.570 -0.526 0.000 2.339 82 I HA 0.221 4.387 4.170 -0.006 0.000 0.290 82 I C -0.716 175.097 176.117 -0.507 0.000 0.994 82 I CA -0.763 60.181 61.300 -0.592 0.000 1.191 82 I CB 0.963 38.496 38.000 -0.778 0.000 1.343 82 I HN 0.534 nan 8.210 nan 0.000 0.458 83 Y N 5.945 126.211 120.300 -0.056 0.000 2.356 83 Y HA 0.286 4.832 4.550 -0.006 0.000 0.334 83 Y C -0.303 175.702 175.900 0.175 0.000 0.958 83 Y CA -0.720 57.472 58.100 0.153 0.000 1.196 83 Y CB 1.174 39.687 38.460 0.089 0.000 1.137 83 Y HN 0.392 nan 8.280 nan 0.000 0.485 84 Y N 4.625 125.102 120.300 0.295 0.000 2.518 84 Y HA 0.475 5.021 4.550 -0.006 0.000 0.344 84 Y C -1.242 174.921 175.900 0.439 0.000 0.982 84 Y CA -1.014 57.269 58.100 0.304 0.000 1.234 84 Y CB 0.267 38.907 38.460 0.300 0.000 1.114 84 Y HN 0.494 nan 8.280 nan 0.000 0.515 85 L N 4.947 126.229 121.223 0.097 0.000 2.265 85 L HA 0.486 4.822 4.340 -0.006 0.000 0.288 85 L C -0.117 176.771 176.870 0.031 0.000 1.058 85 L CA 0.113 55.062 54.840 0.181 0.000 0.809 85 L CB 1.263 43.394 42.059 0.121 0.000 1.179 85 L HN 0.572 nan 8.230 nan 0.000 0.429 86 S N 2.356 118.160 115.700 0.173 0.000 2.537 86 S HA 0.510 4.977 4.470 -0.006 0.000 0.270 86 S C 0.146 174.835 174.600 0.149 0.000 1.142 86 S CA -0.505 57.695 58.200 0.000 0.000 0.870 86 S CB 1.004 63.972 63.200 -0.387 0.000 1.112 86 S HN 0.444 nan 8.310 nan 0.000 0.466 87 L N 2.763 124.110 121.223 0.207 0.000 2.591 87 L HA 0.465 4.801 4.340 -0.006 0.000 0.228 87 L C 0.273 177.340 176.870 0.328 0.000 1.133 87 L CA 0.977 56.006 54.840 0.315 0.000 0.880 87 L CB -0.153 42.110 42.059 0.339 0.000 1.033 87 L HN 0.648 nan 8.230 nan 0.000 0.450 88 E N -1.237 119.023 120.200 0.100 0.000 2.275 88 E HA 0.397 4.743 4.350 -0.006 0.000 0.270 88 E C -1.385 175.073 176.600 -0.237 0.000 0.882 88 E CA -0.412 56.024 56.400 0.061 0.000 0.758 88 E CB 1.871 31.589 29.700 0.030 0.000 1.195 88 E HN -0.163 nan 8.360 nan 0.000 0.419 89 F N 2.201 122.253 119.950 0.170 0.000 2.771 89 F HA 0.169 4.692 4.527 -0.007 0.000 0.365 89 F C -0.824 175.059 175.800 0.138 0.000 1.169 89 F CA -0.743 57.346 58.000 0.149 0.000 1.093 89 F CB 0.935 40.014 39.000 0.132 0.000 1.363 89 F HN 0.496 nan 8.300 nan 0.000 0.496 90 Y N 5.171 125.539 120.300 0.112 0.000 2.636 90 Y HA 0.183 4.730 4.550 -0.006 0.000 0.334 90 Y C 1.081 177.000 175.900 0.031 0.000 1.286 90 Y CA -0.915 57.204 58.100 0.033 0.000 1.688 90 Y CB 0.241 38.703 38.460 0.003 0.000 1.662 90 Y HN 0.533 nan 8.280 nan 0.000 0.465 91 M N 1.117 120.844 119.600 0.212 0.000 2.288 91 M HA 0.093 4.569 4.480 -0.006 0.000 0.266 91 M C 1.598 177.872 176.300 -0.043 0.000 1.072 91 M CA 1.099 56.433 55.300 0.058 0.000 1.132 91 M CB -1.246 31.368 32.600 0.022 0.000 1.386 91 M HN 0.656 nan 8.290 nan 0.000 0.432 92 G N 1.135 109.920 108.800 -0.025 0.000 2.562 92 G HA2 -0.271 3.685 3.960 -0.006 0.000 0.250 92 G HA3 -0.271 3.685 3.960 -0.006 0.000 0.250 92 G C -0.279 174.577 174.900 -0.075 0.000 1.269 92 G CA -0.303 44.744 45.100 -0.088 0.000 0.919 92 G HN 0.439 nan 8.290 nan 0.000 0.574 93 R N -0.654 119.782 120.500 -0.106 0.000 2.531 93 R HA 0.565 4.901 4.340 -0.006 0.000 0.273 93 R C 1.084 177.266 176.300 -0.196 0.000 1.070 93 R CA 0.337 56.383 56.100 -0.090 0.000 1.112 93 R CB 0.724 30.979 30.300 -0.076 0.000 1.049 93 R HN 0.523 nan 8.270 nan 0.000 0.508 94 T N 1.309 115.693 114.554 -0.283 0.000 2.969 94 T HA -0.008 4.338 4.350 -0.006 0.000 0.250 94 T C 1.427 175.736 174.700 -0.653 0.000 1.021 94 T CA -0.158 61.561 62.100 -0.635 0.000 1.003 94 T CB 0.139 68.237 68.868 -1.283 0.000 1.040 94 T HN 0.305 nan 8.240 nan 0.000 0.492 95 L N 1.963 123.039 121.223 -0.246 0.000 1.955 95 L HA -0.052 4.284 4.340 -0.006 0.000 0.213 95 L C 2.455 179.294 176.870 -0.052 0.000 1.072 95 L CA 2.009 56.862 54.840 0.022 0.000 0.755 95 L CB -0.725 41.552 42.059 0.363 0.000 0.888 95 L HN 0.172 nan 8.230 nan 0.000 0.432 96 Q N -0.788 118.981 119.800 -0.052 0.000 2.084 96 Q HA -0.252 4.084 4.340 -0.006 0.000 0.202 96 Q C 2.224 178.154 176.000 -0.117 0.000 0.978 96 Q CA 1.822 57.586 55.803 -0.065 0.000 0.844 96 Q CB -0.291 28.405 28.738 -0.070 0.000 0.898 96 Q HN 0.699 nan 8.270 nan 0.000 0.426 97 N N -0.945 117.645 118.700 -0.183 0.000 2.149 97 N HA -0.144 4.592 4.740 -0.006 0.000 0.188 97 N C 1.328 176.731 175.510 -0.179 0.000 1.019 97 N CA 1.731 54.662 53.050 -0.198 0.000 0.857 97 N CB 0.095 38.429 38.487 -0.254 0.000 0.997 97 N HN 0.196 nan 8.380 nan 0.000 0.426 98 T N 1.215 115.630 114.554 -0.231 0.000 2.777 98 T HA -0.030 4.316 4.350 -0.006 0.000 0.266 98 T C 2.053 176.693 174.700 -0.100 0.000 1.040 98 T CA 0.980 62.962 62.100 -0.197 0.000 1.141 98 T CB -0.039 68.667 68.868 -0.270 0.000 0.868 98 T HN 0.269 nan 8.240 nan 0.000 0.444 99 M N 0.613 120.172 119.600 -0.069 0.000 2.117 99 M HA -0.074 4.402 4.480 -0.006 0.000 0.262 99 M C 2.472 178.740 176.300 -0.053 0.000 1.065 99 M CA 1.197 56.469 55.300 -0.045 0.000 1.114 99 M CB -0.674 31.915 32.600 -0.019 0.000 1.361 99 M HN 0.098 nan 8.290 nan 0.000 0.408 100 V N 1.028 120.915 119.914 -0.045 0.000 2.255 100 V HA -0.276 3.840 4.120 -0.006 0.000 0.247 100 V C 1.751 177.854 176.094 0.015 0.000 1.051 100 V CA 2.036 64.335 62.300 -0.002 0.000 1.018 100 V CB -0.902 30.923 31.823 0.003 0.000 0.641 100 V HN 0.470 nan 8.190 nan 0.000 0.445 101 N N -0.407 118.289 118.700 -0.006 0.000 2.459 101 N HA -0.045 4.691 4.740 -0.006 0.000 0.181 101 N C 1.043 176.459 175.510 -0.156 0.000 1.046 101 N CA 0.703 53.731 53.050 -0.037 0.000 0.904 101 N CB -0.085 38.389 38.487 -0.021 0.000 0.964 101 N HN 0.292 nan 8.380 nan 0.000 0.444 102 L N -0.431 120.717 121.223 -0.125 0.000 2.640 102 L HA 0.413 4.749 4.340 -0.006 0.000 0.230 102 L C 0.565 177.350 176.870 -0.142 0.000 1.123 102 L CA -0.198 54.566 54.840 -0.127 0.000 0.900 102 L CB -0.603 41.405 42.059 -0.086 0.000 1.146 102 L HN 0.077 nan 8.230 nan 0.000 0.484 103 A N -0.431 122.304 122.820 -0.142 0.000 2.846 103 A HA -0.211 4.106 4.320 -0.006 0.000 0.287 103 A C 0.931 178.455 177.584 -0.100 0.000 1.469 103 A CA 0.910 52.874 52.037 -0.121 0.000 0.757 103 A CB -1.951 16.960 19.000 -0.147 0.000 1.033 103 A HN 0.207 nan 8.150 nan 0.000 0.516 104 L N -0.857 120.309 121.223 -0.095 0.000 2.766 104 L HA 0.269 4.605 4.340 -0.006 0.000 0.242 104 L C 1.754 178.589 176.870 -0.059 0.000 1.136 104 L CA 1.349 56.130 54.840 -0.099 0.000 0.933 104 L CB -0.152 41.821 42.059 -0.144 0.000 1.241 104 L HN 0.613 nan 8.230 nan 0.000 0.522 105 E N -0.017 120.158 120.200 -0.043 0.000 2.038 105 E HA -0.236 4.110 4.350 -0.006 0.000 0.195 105 E C 1.550 178.136 176.600 -0.022 0.000 1.000 105 E CA 1.519 57.904 56.400 -0.025 0.000 0.803 105 E CB 0.268 29.956 29.700 -0.020 0.000 0.750 105 E HN 0.420 nan 8.360 nan 0.000 0.448 106 N N 0.001 118.684 118.700 -0.027 0.000 2.188 106 N HA -0.115 4.621 4.740 -0.006 0.000 0.184 106 N C 1.580 177.075 175.510 -0.024 0.000 1.018 106 N CA 1.176 54.209 53.050 -0.027 0.000 0.858 106 N CB -0.364 38.106 38.487 -0.028 0.000 0.989 106 N HN 0.212 nan 8.380 nan 0.000 0.426 107 A N 0.531 123.334 122.820 -0.029 0.000 1.877 107 A HA -0.151 4.165 4.320 -0.006 0.000 0.216 107 A C 2.654 180.229 177.584 -0.014 0.000 1.186 107 A CA 1.365 53.387 52.037 -0.024 0.000 0.620 107 A CB -1.022 17.954 19.000 -0.041 0.000 0.822 107 A HN 0.435 nan 8.150 nan 0.000 0.443 108 C N -0.920 118.372 119.300 -0.014 0.000 2.435 108 C HA -0.051 4.405 4.460 -0.006 0.000 0.279 108 C C 2.443 177.432 174.990 -0.002 0.000 1.321 108 C CA 1.125 60.144 59.018 0.002 0.000 1.752 108 C CB -1.168 26.585 27.740 0.022 0.000 1.959 108 C HN 0.755 nan 8.230 nan 0.000 0.500 109 D N 0.756 121.155 120.400 -0.002 0.000 2.097 109 D HA -0.154 4.482 4.640 -0.006 0.000 0.195 109 D C 2.115 178.428 176.300 0.023 0.000 0.989 109 D CA 1.581 55.582 54.000 0.002 0.000 0.827 109 D CB -0.173 40.617 40.800 -0.016 0.000 0.966 109 D HN 0.447 nan 8.370 nan 0.000 0.456 110 E N 0.147 120.356 120.200 0.015 0.000 2.028 110 E HA -0.060 4.286 4.350 -0.006 0.000 0.191 110 E C 1.913 178.556 176.600 0.072 0.000 0.988 110 E CA 1.606 58.039 56.400 0.056 0.000 0.799 110 E CB -0.691 29.024 29.700 0.026 0.000 0.755 110 E HN 0.238 nan 8.360 nan 0.000 0.447 111 A N -0.038 122.788 122.820 0.009 0.000 1.892 111 A HA -0.249 4.067 4.320 -0.006 0.000 0.218 111 A C 2.516 180.028 177.584 -0.121 0.000 1.188 111 A CA 3.124 55.138 52.037 -0.039 0.000 0.631 111 A CB -1.582 17.397 19.000 -0.035 0.000 0.822 111 A HN 0.540 nan 8.150 nan 0.000 0.447 112 T N -3.740 110.732 114.554 -0.137 0.000 2.821 112 T HA -0.210 4.136 4.350 -0.006 0.000 0.267 112 T C 1.841 176.456 174.700 -0.141 0.000 1.046 112 T CA 1.519 63.475 62.100 -0.240 0.000 1.139 112 T CB -0.584 68.179 68.868 -0.176 0.000 0.871 112 T HN 0.467 nan 8.240 nan 0.000 0.454 113 Y N 2.242 122.460 120.300 -0.136 0.000 2.128 113 Y HA -0.115 4.432 4.550 -0.006 0.000 0.284 113 Y C 2.611 178.449 175.900 -0.103 0.000 1.154 113 Y CA 1.573 59.613 58.100 -0.101 0.000 1.149 113 Y CB -0.633 37.786 38.460 -0.067 0.000 0.976 113 Y HN 0.251 nan 8.280 nan 0.000 0.505 114 Q N -0.895 118.793 119.800 -0.186 0.000 2.291 114 Q HA -0.129 4.207 4.340 -0.006 0.000 0.206 114 Q C 1.502 177.353 176.000 -0.249 0.000 0.976 114 Q CA 1.036 56.693 55.803 -0.244 0.000 0.875 114 Q CB -0.097 28.590 28.738 -0.085 0.000 0.927 114 Q HN 0.365 nan 8.270 nan 0.000 0.450 115 L N -0.999 120.070 121.223 -0.255 0.000 2.591 115 L HA 0.146 4.483 4.340 -0.006 0.000 0.228 115 L C 1.099 177.807 176.870 -0.270 0.000 1.133 115 L CA 1.082 55.768 54.840 -0.257 0.000 0.880 115 L CB -0.187 41.649 42.059 -0.371 0.000 1.033 115 L HN 0.282 nan 8.230 nan 0.000 0.450 116 G N -0.219 108.400 108.800 -0.303 0.000 2.160 116 G HA2 -0.247 3.710 3.960 -0.006 0.000 0.244 116 G HA3 -0.247 3.710 3.960 -0.006 0.000 0.244 116 G C 0.030 174.799 174.900 -0.219 0.000 1.022 116 G CA 0.234 45.173 45.100 -0.268 0.000 0.741 116 G HN 0.269 nan 8.290 nan 0.000 0.508 117 L N -0.299 120.793 121.223 -0.218 0.000 2.354 117 L HA 0.590 4.926 4.340 -0.006 0.000 0.269 117 L C -0.624 176.216 176.870 -0.050 0.000 1.005 117 L CA -1.184 53.556 54.840 -0.166 0.000 0.819 117 L CB 1.945 43.838 42.059 -0.277 0.000 1.311 117 L HN 0.091 nan 8.230 nan 0.000 0.423 118 D N 2.181 122.581 120.400 -0.001 0.000 2.359 118 D HA 0.173 4.809 4.640 -0.006 0.000 0.230 118 D C 0.662 176.989 176.300 0.046 0.000 1.118 118 D CA -0.232 53.794 54.000 0.043 0.000 0.844 118 D CB 1.476 42.306 40.800 0.049 0.000 1.059 118 D HN 0.512 nan 8.370 nan 0.000 0.493 119 M N 3.252 122.879 119.600 0.045 0.000 2.149 119 M HA -0.156 4.320 4.480 -0.006 0.000 0.261 119 M C 1.249 177.590 176.300 0.068 0.000 1.064 119 M CA 1.560 56.895 55.300 0.058 0.000 1.102 119 M CB 0.179 32.806 32.600 0.045 0.000 1.369 119 M HN 0.410 nan 8.290 nan 0.000 0.408 120 E N -0.246 119.985 120.200 0.052 0.000 2.153 120 E HA -0.256 4.091 4.350 -0.006 0.000 0.194 120 E C 1.824 178.457 176.600 0.055 0.000 0.988 120 E CA 1.360 57.789 56.400 0.048 0.000 0.811 120 E CB -0.219 29.506 29.700 0.042 0.000 0.746 120 E HN 0.678 nan 8.360 nan 0.000 0.466 121 E N 0.556 120.792 120.200 0.060 0.000 2.072 121 E HA -0.176 4.170 4.350 -0.006 0.000 0.190 121 E C 1.884 178.526 176.600 0.071 0.000 0.982 121 E CA 0.515 56.952 56.400 0.061 0.000 0.803 121 E CB 0.191 29.929 29.700 0.064 0.000 0.755 121 E HN 0.074 nan 8.360 nan 0.000 0.453 122 L N 1.420 122.707 121.223 0.107 0.000 2.093 122 L HA -0.121 4.215 4.340 -0.006 0.000 0.208 122 L C 2.033 178.964 176.870 0.102 0.000 1.085 122 L CA 1.566 56.504 54.840 0.163 0.000 0.755 122 L CB -0.527 41.684 42.059 0.253 0.000 0.904 122 L HN 0.130 nan 8.230 nan 0.000 0.435 123 E N -0.589 119.661 120.200 0.083 0.000 2.153 123 E HA -0.190 4.156 4.350 -0.006 0.000 0.194 123 E C 1.755 178.315 176.600 -0.067 0.000 0.988 123 E CA 0.775 57.194 56.400 0.031 0.000 0.811 123 E CB -0.051 29.675 29.700 0.043 0.000 0.746 123 E HN 0.425 nan 8.360 nan 0.000 0.466 124 E N 0.387 120.566 120.200 -0.035 0.000 2.409 124 E HA -0.100 4.246 4.350 -0.006 0.000 0.198 124 E C 1.841 178.381 176.600 -0.100 0.000 1.024 124 E CA 0.527 56.907 56.400 -0.034 0.000 0.861 124 E CB 0.063 29.776 29.700 0.021 0.000 0.788 124 E HN 0.433 nan 8.360 nan 0.000 0.521 125 I N 0.676 121.122 120.570 -0.207 0.000 2.716 125 I HA -0.086 4.080 4.170 -0.006 0.000 0.259 125 I C 1.376 177.198 176.117 -0.491 0.000 1.172 125 I CA 0.135 61.255 61.300 -0.300 0.000 1.478 125 I CB 0.057 37.885 38.000 -0.287 0.000 1.104 125 I HN -0.013 nan 8.210 nan 0.000 0.439 126 E N 2.805 122.568 120.200 -0.727 0.000 2.414 126 E HA -0.039 4.307 4.350 -0.006 0.000 0.263 126 E C -0.235 176.284 176.600 -0.135 0.000 1.000 126 E CA -0.179 55.867 56.400 -0.590 0.000 0.914 126 E CB 0.667 30.127 29.700 -0.399 0.000 0.948 126 E HN 0.079 nan 8.360 nan 0.000 0.444 127 E N 3.402 123.626 120.200 0.040 0.000 2.354 127 E HA 0.086 4.432 4.350 -0.006 0.000 0.269 127 E C -0.847 175.870 176.600 0.195 0.000 1.036 127 E CA -0.233 56.270 56.400 0.173 0.000 0.876 127 E CB 0.854 30.746 29.700 0.320 0.000 1.009 127 E HN 0.501 nan 8.360 nan 0.000 0.416 128 D N 0.591 121.077 120.400 0.144 0.000 2.382 128 D HA 0.206 4.842 4.640 -0.006 0.000 0.245 128 D C -0.386 175.959 176.300 0.076 0.000 1.120 128 D CA 0.074 54.127 54.000 0.088 0.000 0.890 128 D CB 0.698 41.530 40.800 0.053 0.000 1.201 128 D HN 0.376 nan 8.370 nan 0.000 0.433 129 A N 2.128 124.939 122.820 -0.014 0.000 2.798 129 A HA 0.480 4.796 4.320 -0.006 0.000 0.316 129 A C 0.923 178.351 177.584 -0.260 0.000 1.506 129 A CA -0.529 51.304 52.037 -0.340 0.000 1.162 129 A CB -0.278 18.609 19.000 -0.188 0.000 1.138 129 A HN 0.533 nan 8.150 nan 0.000 0.532 130 G N 1.855 110.466 108.800 -0.315 0.000 3.541 130 G HA2 0.406 4.362 3.960 -0.006 0.000 0.253 130 G HA3 0.406 4.362 3.960 -0.006 0.000 0.253 130 G C 0.301 174.990 174.900 -0.352 0.000 1.017 130 G CA -0.282 44.721 45.100 -0.161 0.000 1.832 130 G HN 0.688 nan 8.290 nan 0.000 0.649 131 L N 1.438 122.505 121.223 -0.259 0.000 2.939 131 L HA 0.386 4.722 4.340 -0.006 0.000 0.239 131 L C 1.047 177.853 176.870 -0.106 0.000 1.325 131 L CA -0.233 54.550 54.840 -0.094 0.000 1.170 131 L CB -0.366 41.757 42.059 0.108 0.000 1.538 131 L HN 0.339 nan 8.230 nan 0.000 0.452 132 G N -1.270 107.238 108.800 -0.487 0.000 2.623 132 G HA2 0.200 4.157 3.960 -0.006 0.000 0.290 132 G HA3 0.200 4.157 3.960 -0.006 0.000 0.290 132 G C -0.181 174.240 174.900 -0.798 0.000 1.437 132 G CA -0.451 44.330 45.100 -0.532 0.000 0.798 132 G HN -0.077 nan 8.290 nan 0.000 0.488 133 N N -0.849 117.615 118.700 -0.393 0.000 2.436 133 N HA 0.218 4.955 4.740 -0.006 0.000 0.178 133 N C 1.139 176.631 175.510 -0.030 0.000 1.026 133 N CA 1.286 54.203 53.050 -0.222 0.000 0.880 133 N CB 1.260 39.726 38.487 -0.034 0.000 1.061 133 N HN 0.817 nan 8.380 nan 0.000 0.434 134 G N -0.713 108.151 108.800 0.108 0.000 2.818 134 G HA2 0.223 4.179 3.960 -0.006 0.000 0.109 134 G HA3 0.223 4.179 3.960 -0.006 0.000 0.109 134 G C 0.739 175.761 174.900 0.205 0.000 1.206 134 G CA 0.247 45.503 45.100 0.260 0.000 1.243 134 G HN 0.152 nan 8.290 nan 0.000 0.609 135 G N 0.419 109.281 108.800 0.102 0.000 2.476 135 G HA2 -0.148 3.808 3.960 -0.006 0.000 0.218 135 G HA3 -0.148 3.808 3.960 -0.006 0.000 0.218 135 G C 1.884 176.766 174.900 -0.030 0.000 1.164 135 G CA 1.570 46.688 45.100 0.029 0.000 0.768 135 G HN 0.780 nan 8.290 nan 0.000 0.560 136 L N 0.582 121.763 121.223 -0.070 0.000 2.046 136 L HA 0.098 4.434 4.340 -0.006 0.000 0.208 136 L C 2.845 179.632 176.870 -0.139 0.000 1.077 136 L CA 1.967 56.673 54.840 -0.224 0.000 0.747 136 L CB -0.553 41.341 42.059 -0.275 0.000 0.896 136 L HN 0.240 nan 8.230 nan 0.000 0.432 137 G N -0.776 108.010 108.800 -0.023 0.000 2.408 137 G HA2 -0.249 3.708 3.960 -0.006 0.000 0.217 137 G HA3 -0.249 3.708 3.960 -0.006 0.000 0.217 137 G C 1.692 176.659 174.900 0.113 0.000 1.150 137 G CA 0.308 45.422 45.100 0.023 0.000 0.776 137 G HN 0.188 nan 8.290 nan 0.000 0.542 138 R N 0.193 120.787 120.500 0.158 0.000 2.090 138 R HA 0.108 4.445 4.340 -0.006 0.000 0.228 138 R C 2.413 178.709 176.300 -0.006 0.000 1.110 138 R CA 0.697 56.860 56.100 0.104 0.000 0.973 138 R CB -1.024 29.298 30.300 0.037 0.000 0.869 138 R HN 0.384 nan 8.270 nan 0.000 0.440 139 L N 0.676 121.822 121.223 -0.128 0.000 2.046 139 L HA -0.056 4.280 4.340 -0.006 0.000 0.208 139 L C 2.162 178.724 176.870 -0.513 0.000 1.077 139 L CA 2.206 56.820 54.840 -0.376 0.000 0.747 139 L CB -0.788 41.001 42.059 -0.450 0.000 0.896 139 L HN 0.192 nan 8.230 nan 0.000 0.432 140 A N -0.619 122.043 122.820 -0.264 0.000 1.940 140 A HA -0.138 4.178 4.320 -0.006 0.000 0.219 140 A C 2.438 180.075 177.584 0.088 0.000 1.176 140 A CA 1.851 53.814 52.037 -0.122 0.000 0.631 140 A CB -1.120 17.779 19.000 -0.167 0.000 0.814 140 A HN 0.574 nan 8.150 nan 0.000 0.446 141 A N -1.084 121.818 122.820 0.137 0.000 1.873 141 A HA -0.146 4.170 4.320 -0.006 0.000 0.215 141 A C 2.309 179.966 177.584 0.122 0.000 1.186 141 A CA 1.607 53.753 52.037 0.182 0.000 0.616 141 A CB -1.266 17.828 19.000 0.157 0.000 0.823 141 A HN 0.590 nan 8.150 nan 0.000 0.442 142 C N -1.393 117.973 119.300 0.111 0.000 2.425 142 C HA -0.070 4.386 4.460 -0.006 0.000 0.277 142 C C 2.433 177.586 174.990 0.271 0.000 1.280 142 C CA 0.626 59.750 59.018 0.178 0.000 1.744 142 C CB -1.612 26.251 27.740 0.204 0.000 1.989 142 C HN 0.604 nan 8.230 nan 0.000 0.491 143 F N 1.112 121.043 119.950 -0.031 0.000 2.134 143 F HA -0.060 4.463 4.527 -0.007 0.000 0.299 143 F C 2.243 177.980 175.800 -0.105 0.000 1.097 143 F CA 0.987 58.915 58.000 -0.119 0.000 1.264 143 F CB -1.383 37.408 39.000 -0.348 0.000 1.001 143 F HN 0.197 nan 8.300 nan 0.000 0.479 144 L N -0.398 120.898 121.223 0.122 0.000 2.046 144 L HA -0.249 4.087 4.340 -0.006 0.000 0.208 144 L C 2.152 179.031 176.870 0.014 0.000 1.077 144 L CA 1.927 56.792 54.840 0.042 0.000 0.747 144 L CB -0.763 41.322 42.059 0.042 0.000 0.896 144 L HN 0.103 nan 8.230 nan 0.000 0.432 145 D N -0.446 119.974 120.400 0.033 0.000 2.097 145 D HA -0.174 4.463 4.640 -0.006 0.000 0.195 145 D C 2.208 178.523 176.300 0.024 0.000 0.989 145 D CA 1.502 55.508 54.000 0.009 0.000 0.827 145 D CB 0.205 41.010 40.800 0.009 0.000 0.966 145 D HN 0.072 nan 8.370 nan 0.000 0.456 146 S N -0.764 114.967 115.700 0.052 0.000 2.383 146 S HA -0.086 4.380 4.470 -0.006 0.000 0.227 146 S C 1.981 176.592 174.600 0.017 0.000 1.026 146 S CA 0.809 59.032 58.200 0.037 0.000 0.981 146 S CB -0.206 63.021 63.200 0.045 0.000 0.818 146 S HN 0.346 nan 8.310 nan 0.000 0.472 147 M N 0.906 120.509 119.600 0.005 0.000 2.229 147 M HA -0.073 4.403 4.480 -0.006 0.000 0.264 147 M C 2.404 178.703 176.300 -0.002 0.000 1.063 147 M CA 1.329 56.629 55.300 -0.001 0.000 1.114 147 M CB -0.466 32.113 32.600 -0.034 0.000 1.387 147 M HN 0.390 nan 8.290 nan 0.000 0.420 148 A N -0.398 122.418 122.820 -0.008 0.000 1.929 148 A HA -0.089 4.227 4.320 -0.006 0.000 0.216 148 A C 2.152 179.748 177.584 0.021 0.000 1.176 148 A CA 1.765 53.801 52.037 -0.002 0.000 0.628 148 A CB -0.918 18.064 19.000 -0.031 0.000 0.816 148 A HN 0.390 nan 8.150 nan 0.000 0.444 149 T N 0.263 114.835 114.554 0.029 0.000 2.915 149 T HA 0.038 4.384 4.350 -0.006 0.000 0.269 149 T C 1.242 175.971 174.700 0.049 0.000 1.071 149 T CA 0.957 63.089 62.100 0.053 0.000 1.132 149 T CB -0.252 68.656 68.868 0.066 0.000 0.878 149 T HN 0.336 nan 8.240 nan 0.000 0.479 150 L N 0.512 121.760 121.223 0.041 0.000 2.685 150 L HA 0.316 4.652 4.340 -0.006 0.000 0.233 150 L C 1.600 178.502 176.870 0.053 0.000 1.173 150 L CA -0.154 54.713 54.840 0.044 0.000 0.961 150 L CB -0.384 41.701 42.059 0.042 0.000 1.217 150 L HN 0.361 nan 8.230 nan 0.000 0.478 151 G N 1.141 109.976 108.800 0.058 0.000 2.283 151 G HA2 -0.291 3.665 3.960 -0.006 0.000 0.280 151 G HA3 -0.291 3.665 3.960 -0.006 0.000 0.280 151 G C 0.128 175.080 174.900 0.086 0.000 1.029 151 G CA 0.134 45.287 45.100 0.089 0.000 0.840 151 G HN 0.302 nan 8.290 nan 0.000 0.505 152 L N -0.231 121.011 121.223 0.030 0.000 2.350 152 L HA 0.611 4.947 4.340 -0.006 0.000 0.275 152 L C 1.198 177.950 176.870 -0.195 0.000 1.099 152 L CA -0.377 54.433 54.840 -0.050 0.000 0.808 152 L CB 1.592 43.633 42.059 -0.029 0.000 1.149 152 L HN 0.239 nan 8.230 nan 0.000 0.442 153 A N 2.981 125.544 122.820 -0.428 0.000 2.990 153 A HA 0.564 4.880 4.320 -0.006 0.000 0.282 153 A C 0.299 177.517 177.584 -0.610 0.000 1.688 153 A CA -0.176 51.309 52.037 -0.921 0.000 1.391 153 A CB -0.661 17.683 19.000 -1.093 0.000 1.112 153 A HN 0.695 nan 8.150 nan 0.000 0.588 154 A N 1.406 123.918 122.820 -0.514 0.000 2.340 154 A HA 0.800 5.116 4.320 -0.006 0.000 0.331 154 A C -1.010 176.275 177.584 -0.497 0.000 1.140 154 A CA -0.453 51.340 52.037 -0.407 0.000 0.801 154 A CB 0.738 19.582 19.000 -0.260 0.000 1.234 154 A HN 0.620 nan 8.150 nan 0.000 0.469 155 Y N 0.196 120.407 120.300 -0.147 0.000 2.373 155 Y HA 0.536 5.082 4.550 -0.006 0.000 0.336 155 Y C 0.805 176.759 175.900 0.091 0.000 0.979 155 Y CA -0.515 57.562 58.100 -0.039 0.000 1.080 155 Y CB 2.429 40.937 38.460 0.079 0.000 1.190 155 Y HN 0.839 nan 8.280 nan 0.000 0.446 156 G N 2.160 111.012 108.800 0.086 0.000 2.338 156 G HA2 0.462 4.418 3.960 -0.006 0.000 0.298 156 G HA3 0.462 4.418 3.960 -0.006 0.000 0.298 156 G C -1.793 173.098 174.900 -0.016 0.000 1.140 156 G CA -0.281 44.906 45.100 0.145 0.000 0.860 156 G HN 0.515 nan 8.290 nan 0.000 0.470 157 Y N 1.090 121.609 120.300 0.364 0.000 2.350 157 Y HA 0.625 5.171 4.550 -0.006 0.000 0.338 157 Y C 0.752 176.946 175.900 0.489 0.000 0.961 157 Y CA 0.188 58.472 58.100 0.308 0.000 1.100 157 Y CB 2.612 41.279 38.460 0.347 0.000 1.179 157 Y HN 0.866 nan 8.280 nan 0.000 0.454 158 G N 2.415 111.527 108.800 0.519 0.000 2.871 158 G HA2 0.612 4.568 3.960 -0.006 0.000 0.282 158 G HA3 0.612 4.568 3.960 -0.006 0.000 0.282 158 G C -1.696 173.430 174.900 0.376 0.000 1.212 158 G CA -0.805 44.627 45.100 0.554 0.000 0.812 158 G HN 0.417 nan 8.290 nan 0.000 0.547 159 I N 0.474 121.159 120.570 0.191 0.000 2.474 159 I HA 0.439 4.605 4.170 -0.006 0.000 0.294 159 I C 0.186 176.198 176.117 -0.175 0.000 1.005 159 I CA -0.739 60.566 61.300 0.008 0.000 1.113 159 I CB 2.329 40.167 38.000 -0.270 0.000 1.289 159 I HN 0.360 nan 8.210 nan 0.000 0.436 160 R N 5.914 126.417 120.500 0.004 0.000 2.608 160 R HA 0.241 4.577 4.340 -0.006 0.000 0.277 160 R C -1.267 175.088 176.300 0.093 0.000 1.341 160 R CA -0.434 55.703 56.100 0.062 0.000 1.199 160 R CB -0.033 30.277 30.300 0.018 0.000 1.156 160 R HN 0.392 nan 8.270 nan 0.000 0.558 161 Y N 1.462 121.921 120.300 0.265 0.000 2.511 161 Y HA -0.075 4.471 4.550 -0.007 0.000 0.332 161 Y C 1.575 177.656 175.900 0.302 0.000 1.177 161 Y CA 0.062 58.310 58.100 0.247 0.000 1.422 161 Y CB 0.818 39.398 38.460 0.199 0.000 1.271 161 Y HN 0.588 nan 8.280 nan 0.000 0.550 162 E N 2.010 122.408 120.200 0.330 0.000 2.152 162 E HA -0.053 4.294 4.350 -0.006 0.000 0.192 162 E C -0.749 175.757 176.600 -0.157 0.000 0.983 162 E CA 0.673 57.079 56.400 0.009 0.000 0.818 162 E CB 0.190 29.812 29.700 -0.129 0.000 0.758 162 E HN 0.494 nan 8.360 nan 0.000 0.467 163 F N -0.339 119.826 119.950 0.359 0.000 2.477 163 F HA 0.440 4.963 4.527 -0.006 0.000 0.335 163 F C 0.764 176.650 175.800 0.143 0.000 1.130 163 F CA -0.843 57.325 58.000 0.280 0.000 0.948 163 F CB 1.867 40.963 39.000 0.160 0.000 1.154 163 F HN -0.112 nan 8.300 nan 0.000 0.439 164 G N 1.822 110.722 108.800 0.166 0.000 2.582 164 G HA2 0.348 4.304 3.960 -0.006 0.000 0.232 164 G HA3 0.348 4.304 3.960 -0.006 0.000 0.232 164 G C -0.536 174.321 174.900 -0.072 0.000 1.458 164 G CA -0.665 44.383 45.100 -0.087 0.000 1.062 164 G HN 0.537 nan 8.290 nan 0.000 0.566 165 I N 1.037 121.487 120.570 -0.200 0.000 2.683 165 I HA 0.219 4.385 4.170 -0.006 0.000 0.286 165 I C 0.509 176.527 176.117 -0.165 0.000 1.175 165 I CA -1.225 59.925 61.300 -0.250 0.000 1.429 165 I CB -0.326 37.428 38.000 -0.409 0.000 1.371 165 I HN 0.325 nan 8.210 nan 0.000 0.569 166 F N 6.408 126.374 119.950 0.026 0.000 2.589 166 F HA 0.256 4.780 4.527 -0.006 0.000 0.352 166 F C 0.459 176.314 175.800 0.092 0.000 1.168 166 F CA -0.541 57.497 58.000 0.064 0.000 1.353 166 F CB -0.320 38.705 39.000 0.041 0.000 1.116 166 F HN 0.430 nan 8.300 nan 0.000 0.608 167 N N 2.257 121.156 118.700 0.331 0.000 2.488 167 N HA 0.064 4.801 4.740 -0.006 0.000 0.274 167 N C -0.853 174.908 175.510 0.418 0.000 1.111 167 N CA -0.317 52.893 53.050 0.267 0.000 0.974 167 N CB 1.237 39.864 38.487 0.232 0.000 1.089 167 N HN 0.758 nan 8.380 nan 0.000 0.465 168 Q N 2.446 122.463 119.800 0.361 0.000 2.274 168 Q HA 0.179 4.516 4.340 -0.006 0.000 0.256 168 Q C -0.974 175.195 176.000 0.282 0.000 0.927 168 Q CA -0.392 55.654 55.803 0.404 0.000 0.939 168 Q CB 0.701 29.688 28.738 0.414 0.000 1.201 168 Q HN 0.218 nan 8.270 nan 0.000 0.426 169 K N 4.097 124.635 120.400 0.230 0.000 2.259 169 K HA 0.485 4.801 4.320 -0.006 0.000 0.252 169 K C -0.703 175.986 176.600 0.149 0.000 0.936 169 K CA -0.869 55.527 56.287 0.182 0.000 0.810 169 K CB 1.608 34.196 32.500 0.147 0.000 1.143 169 K HN 0.633 nan 8.250 nan 0.000 0.427 170 I N 2.520 123.168 120.570 0.130 0.000 2.328 170 I HA 0.219 4.385 4.170 -0.006 0.000 0.287 170 I C -0.351 175.814 176.117 0.080 0.000 1.012 170 I CA -0.638 60.708 61.300 0.077 0.000 1.195 170 I CB 0.735 38.759 38.000 0.040 0.000 1.350 170 I HN 0.390 nan 8.210 nan 0.000 0.464 171 C N 3.921 123.280 119.300 0.100 0.000 2.340 171 C HA 0.599 5.055 4.460 -0.006 0.000 0.323 171 C C 1.183 176.273 174.990 0.166 0.000 1.260 171 C CA -0.450 58.635 59.018 0.111 0.000 1.464 171 C CB 0.576 28.376 27.740 0.100 0.000 2.156 171 C HN 1.085 nan 8.230 nan 0.000 0.476 172 G N 2.398 111.269 108.800 0.118 0.000 2.225 172 G HA2 0.107 4.063 3.960 -0.006 0.000 0.267 172 G HA3 0.107 4.063 3.960 -0.006 0.000 0.267 172 G C 1.096 176.017 174.900 0.035 0.000 1.024 172 G CA 0.997 46.180 45.100 0.138 0.000 0.784 172 G HN 2.402 nan 8.290 nan 0.000 0.507 173 G N -2.977 105.784 108.800 -0.066 0.000 2.179 173 G HA2 -0.288 3.668 3.960 -0.006 0.000 0.260 173 G HA3 -0.288 3.668 3.960 -0.006 0.000 0.260 173 G C 0.349 175.012 174.900 -0.395 0.000 0.977 173 G CA 0.686 45.625 45.100 -0.269 0.000 0.641 173 G HN 1.208 nan 8.290 nan 0.000 0.533 174 W N 0.730 121.969 121.300 -0.102 0.000 2.512 174 W HA 0.669 5.325 4.660 -0.006 0.000 0.335 174 W C 0.600 177.055 176.519 -0.107 0.000 1.088 174 W CA -0.890 56.388 57.345 -0.113 0.000 1.236 174 W CB 0.830 30.242 29.460 -0.081 0.000 1.307 174 W HN 0.247 nan 8.180 nan 0.000 0.567 175 Q N 2.972 122.857 119.800 0.141 0.000 2.304 175 Q HA 0.285 4.621 4.340 -0.006 0.000 0.260 175 Q C -0.640 175.405 176.000 0.074 0.000 0.965 175 Q CA 0.089 55.940 55.803 0.081 0.000 0.898 175 Q CB 0.590 29.367 28.738 0.065 0.000 1.196 175 Q HN 0.322 nan 8.270 nan 0.000 0.402 176 M N 3.094 122.733 119.600 0.065 0.000 2.465 176 M HA 0.393 4.869 4.480 -0.006 0.000 0.316 176 M C -1.187 175.111 176.300 -0.004 0.000 1.121 176 M CA -0.666 54.643 55.300 0.015 0.000 0.934 176 M CB 1.860 34.486 32.600 0.043 0.000 1.692 176 M HN 0.625 nan 8.290 nan 0.000 0.444 177 E N 1.687 121.815 120.200 -0.120 0.000 2.179 177 E HA 0.502 4.849 4.350 -0.006 0.000 0.275 177 E C -0.746 175.840 176.600 -0.024 0.000 0.945 177 E CA -0.613 55.680 56.400 -0.179 0.000 0.792 177 E CB 1.797 31.121 29.700 -0.627 0.000 1.125 177 E HN 0.526 nan 8.360 nan 0.000 0.397 178 E N 0.973 121.243 120.200 0.116 0.000 2.314 178 E HA 0.700 5.047 4.350 -0.006 0.000 0.272 178 E C -1.096 175.604 176.600 0.166 0.000 0.884 178 E CA -1.469 54.995 56.400 0.107 0.000 0.753 178 E CB 1.458 31.229 29.700 0.119 0.000 1.213 178 E HN 0.472 nan 8.360 nan 0.000 0.432 179 A N 2.341 125.222 122.820 0.103 0.000 2.567 179 A HA 0.030 4.346 4.320 -0.006 0.000 0.240 179 A C -0.014 177.762 177.584 0.319 0.000 1.053 179 A CA 0.383 52.507 52.037 0.144 0.000 0.755 179 A CB -0.037 18.935 19.000 -0.046 0.000 0.978 179 A HN 0.694 nan 8.150 nan 0.000 0.507 180 D N 1.723 122.380 120.400 0.428 0.000 2.522 180 D HA 0.199 4.836 4.640 -0.006 0.000 0.218 180 D C -0.343 176.262 176.300 0.509 0.000 1.149 180 D CA -0.215 54.023 54.000 0.396 0.000 0.981 180 D CB 0.234 41.202 40.800 0.280 0.000 1.041 180 D HN 0.414 nan 8.370 nan 0.000 0.518 181 D N 3.311 123.970 120.400 0.431 0.000 2.801 181 D HA -0.037 4.599 4.640 -0.006 0.000 0.232 181 D C 1.254 177.654 176.300 0.166 0.000 1.128 181 D CA -0.524 53.609 54.000 0.223 0.000 1.003 181 D CB -0.191 40.750 40.800 0.235 0.000 1.110 181 D HN 0.517 nan 8.370 nan 0.000 0.477 182 W N 1.700 123.011 121.300 0.019 0.000 2.468 182 W HA -0.063 4.593 4.660 -0.006 0.000 0.262 182 W C 0.066 176.623 176.519 0.064 0.000 1.241 182 W CA 0.173 57.559 57.345 0.068 0.000 1.232 182 W CB -0.758 28.752 29.460 0.084 0.000 1.124 182 W HN 0.213 nan 8.180 nan 0.000 0.597 183 L N 0.840 121.679 121.223 -0.641 0.000 2.607 183 L HA 0.167 4.503 4.340 -0.006 0.000 0.228 183 L C 2.767 179.451 176.870 -0.310 0.000 1.123 183 L CA -0.014 54.428 54.840 -0.664 0.000 0.890 183 L CB -0.635 40.922 42.059 -0.837 0.000 1.103 183 L HN -0.109 nan 8.230 nan 0.000 0.468 184 R N 0.790 121.149 120.500 -0.235 0.000 2.133 184 R HA -0.254 4.082 4.340 -0.006 0.000 0.245 184 R C 1.421 177.522 176.300 -0.331 0.000 1.137 184 R CA 2.261 58.180 56.100 -0.301 0.000 0.947 184 R CB -0.284 29.778 30.300 -0.398 0.000 0.865 184 R HN 0.289 nan 8.270 nan 0.000 0.437 185 Y N -0.328 119.985 120.300 0.022 0.000 2.461 185 Y HA 0.320 4.866 4.550 -0.006 0.000 0.277 185 Y C 0.871 176.764 175.900 -0.012 0.000 1.182 185 Y CA 0.524 58.643 58.100 0.032 0.000 1.276 185 Y CB 0.608 39.194 38.460 0.209 0.000 1.087 185 Y HN 0.488 nan 8.280 nan 0.000 0.519 186 G N 1.247 110.090 108.800 0.072 0.000 2.699 186 G HA2 -0.214 3.742 3.960 -0.006 0.000 0.686 186 G HA3 -0.214 3.742 3.960 -0.006 0.000 0.686 186 G C -1.208 173.773 174.900 0.135 0.000 1.301 186 G CA -0.798 44.320 45.100 0.030 0.000 0.816 186 G HN 0.263 nan 8.290 nan 0.000 0.595 187 N N 1.259 119.981 118.700 0.037 0.000 2.573 187 N HA 0.546 5.282 4.740 -0.006 0.000 0.262 187 N C -0.577 174.931 175.510 -0.004 0.000 1.029 187 N CA -1.870 51.212 53.050 0.053 0.000 0.882 187 N CB 2.065 40.518 38.487 -0.056 0.000 1.204 187 N HN 0.265 nan 8.380 nan 0.000 0.519 188 P HA -0.020 nan 4.420 nan 0.000 0.226 188 P C 0.644 177.618 177.300 -0.543 0.000 1.153 188 P CA 0.799 63.581 63.100 -0.531 0.000 0.777 188 P CB 0.128 31.218 31.700 -1.017 0.000 0.794 189 W N 2.011 123.310 121.300 -0.001 0.000 2.476 189 W HA 0.033 4.689 4.660 -0.006 0.000 0.281 189 W C 1.374 177.929 176.519 0.059 0.000 1.230 189 W CA -0.274 57.070 57.345 -0.001 0.000 1.287 189 W CB -0.402 29.060 29.460 0.003 0.000 1.108 189 W HN 0.025 nan 8.180 nan 0.000 0.567 190 E N 1.765 122.135 120.200 0.283 0.000 2.349 190 E HA 0.314 4.660 4.350 -0.006 0.000 0.262 190 E C -0.583 176.181 176.600 0.274 0.000 1.088 190 E CA -0.693 55.885 56.400 0.296 0.000 0.899 190 E CB 1.256 31.147 29.700 0.317 0.000 1.044 190 E HN -0.319 nan 8.360 nan 0.000 0.420 191 K N 1.441 122.014 120.400 0.289 0.000 2.579 191 K HA 0.419 4.735 4.320 -0.006 0.000 0.250 191 K C -1.265 175.354 176.600 0.032 0.000 0.952 191 K CA -0.465 55.926 56.287 0.174 0.000 0.857 191 K CB 1.583 34.194 32.500 0.184 0.000 1.123 191 K HN 0.670 nan 8.250 nan 0.000 0.433 192 A N 4.025 126.771 122.820 -0.122 0.000 2.462 192 A HA 0.396 4.712 4.320 -0.006 0.000 0.243 192 A C -0.245 177.175 177.584 -0.273 0.000 1.076 192 A CA -0.158 51.557 52.037 -0.537 0.000 0.773 192 A CB 0.242 18.892 19.000 -0.584 0.000 1.010 192 A HN 0.664 nan 8.150 nan 0.000 0.493 193 R N 2.950 123.295 120.500 -0.258 0.000 2.886 193 R HA 0.196 4.533 4.340 -0.006 0.000 0.306 193 R C -2.303 173.989 176.300 -0.012 0.000 1.300 193 R CA -1.679 54.404 56.100 -0.027 0.000 1.441 193 R CB 0.588 30.993 30.300 0.175 0.000 1.328 193 R HN 0.600 nan 8.270 nan 0.000 0.629 194 P HA -0.211 nan 4.420 nan 0.000 0.220 194 P C 0.849 178.117 177.300 -0.053 0.000 1.144 194 P CA 1.232 64.303 63.100 -0.047 0.000 0.800 194 P CB 0.372 32.035 31.700 -0.061 0.000 0.772 195 E N -0.296 119.808 120.200 -0.159 0.000 2.268 195 E HA -0.143 4.203 4.350 -0.006 0.000 0.195 195 E C 0.815 177.183 176.600 -0.386 0.000 0.995 195 E CA 0.893 57.098 56.400 -0.325 0.000 0.836 195 E CB -0.924 28.458 29.700 -0.530 0.000 0.763 195 E HN 0.305 nan 8.360 nan 0.000 0.491 196 F N 1.928 121.893 119.950 0.026 0.000 2.668 196 F HA 0.235 4.758 4.527 -0.006 0.000 0.297 196 F C 0.467 176.363 175.800 0.161 0.000 1.124 196 F CA -0.316 57.732 58.000 0.079 0.000 1.353 196 F CB 0.260 39.303 39.000 0.072 0.000 0.992 196 F HN -0.293 nan 8.300 nan 0.000 0.524 197 T N 2.790 117.486 114.554 0.238 0.000 2.928 197 T HA 0.278 4.624 4.350 -0.006 0.000 0.305 197 T C -0.187 174.615 174.700 0.170 0.000 1.035 197 T CA 0.346 62.586 62.100 0.233 0.000 1.145 197 T CB 0.576 69.529 68.868 0.142 0.000 0.963 197 T HN -0.169 nan 8.240 nan 0.000 0.545 198 L N 5.735 127.029 121.223 0.118 0.000 2.370 198 L HA 0.570 4.906 4.340 -0.006 0.000 0.266 198 L C -2.185 174.635 176.870 -0.084 0.000 1.002 198 L CA -2.464 52.367 54.840 -0.015 0.000 0.818 198 L CB 1.875 43.856 42.059 -0.129 0.000 1.325 198 L HN 0.385 nan 8.230 nan 0.000 0.418 199 P HA 0.372 nan 4.420 nan 0.000 0.288 199 P C -1.259 175.887 177.300 -0.257 0.000 1.267 199 P CA -0.397 62.607 63.100 -0.160 0.000 0.815 199 P CB 1.942 33.546 31.700 -0.160 0.000 0.989 200 V N 3.915 123.665 119.914 -0.274 0.000 2.604 200 V HA 0.324 4.440 4.120 -0.006 0.000 0.305 200 V C 0.201 176.053 176.094 -0.403 0.000 1.043 200 V CA -0.630 61.495 62.300 -0.293 0.000 0.888 200 V CB 1.518 33.243 31.823 -0.163 0.000 0.995 200 V HN 0.609 nan 8.190 nan 0.000 0.429 201 H N 3.755 122.668 119.070 -0.260 0.000 2.479 201 H HA 0.635 5.187 4.556 -0.006 0.000 0.335 201 H C -1.276 173.774 175.328 -0.463 0.000 1.142 201 H CA -0.136 55.679 56.048 -0.388 0.000 1.234 201 H CB 1.873 31.144 29.762 -0.818 0.000 1.503 201 H HN 0.479 nan 8.280 nan 0.000 0.510 202 F N 0.176 120.169 119.950 0.072 0.000 2.613 202 F HA 0.206 4.729 4.527 -0.007 0.000 0.314 202 F C -0.281 175.618 175.800 0.164 0.000 1.075 202 F CA -0.563 57.481 58.000 0.074 0.000 0.945 202 F CB 1.068 40.013 39.000 -0.092 0.000 1.310 202 F HN 0.539 nan 8.300 nan 0.000 0.467 203 Y N 0.214 120.814 120.300 0.500 0.000 2.904 203 Y HA -0.003 4.543 4.550 -0.006 0.000 0.466 203 Y C 1.343 177.500 175.900 0.427 0.000 1.202 203 Y CA 0.677 58.993 58.100 0.360 0.000 2.492 203 Y CB -1.898 36.704 38.460 0.237 0.000 1.237 203 Y HN 1.316 nan 8.280 nan 0.000 0.633 204 G N 0.652 109.734 108.800 0.470 0.000 2.645 204 G HA2 0.105 4.061 3.960 -0.006 0.000 0.239 204 G HA3 0.105 4.061 3.960 -0.006 0.000 0.239 204 G C -0.574 174.543 174.900 0.362 0.000 1.331 204 G CA 0.841 46.139 45.100 0.330 0.000 0.890 204 G HN 1.351 nan 8.290 nan 0.000 0.572 205 R N -2.506 118.198 120.500 0.339 0.000 2.734 205 R HA 0.712 5.048 4.340 -0.006 0.000 0.271 205 R C -1.278 175.149 176.300 0.213 0.000 1.021 205 R CA -1.003 55.235 56.100 0.231 0.000 0.893 205 R CB 1.347 31.729 30.300 0.137 0.000 1.244 205 R HN 0.852 nan 8.270 nan 0.000 0.464 206 V N 0.808 120.757 119.914 0.059 0.000 2.439 206 V HA 0.344 4.460 4.120 -0.006 0.000 0.282 206 V C -0.175 175.827 176.094 -0.153 0.000 1.039 206 V CA -0.449 61.807 62.300 -0.072 0.000 0.913 206 V CB 1.284 32.986 31.823 -0.201 0.000 0.983 206 V HN 0.734 nan 8.190 nan 0.000 0.460 207 E N 2.900 122.996 120.200 -0.173 0.000 2.176 207 E HA 0.381 4.727 4.350 -0.006 0.000 0.267 207 E C -1.085 175.380 176.600 -0.225 0.000 0.893 207 E CA -0.724 55.593 56.400 -0.138 0.000 0.761 207 E CB 0.839 30.521 29.700 -0.030 0.000 1.133 207 E HN 0.714 nan 8.360 nan 0.000 0.409 208 H N 2.905 121.991 119.070 0.026 0.000 2.640 208 H HA 0.182 4.735 4.556 -0.006 0.000 0.297 208 H C 0.275 175.613 175.328 0.016 0.000 1.073 208 H CA -0.160 55.898 56.048 0.017 0.000 1.305 208 H CB 1.044 30.812 29.762 0.009 0.000 1.404 208 H HN 0.567 nan 8.280 nan 0.000 0.459 209 T N -0.689 113.932 114.554 0.112 0.000 2.889 209 T HA 0.193 4.539 4.350 -0.006 0.000 0.278 209 T C 1.543 176.282 174.700 0.064 0.000 0.995 209 T CA -0.663 61.480 62.100 0.071 0.000 0.966 209 T CB 0.953 69.848 68.868 0.044 0.000 1.237 209 T HN 0.336 nan 8.240 nan 0.000 0.591 210 S N 0.043 115.769 115.700 0.044 0.000 2.374 210 S HA -0.094 4.372 4.470 -0.006 0.000 0.227 210 S C 0.869 175.491 174.600 0.035 0.000 1.037 210 S CA 1.318 59.539 58.200 0.034 0.000 1.024 210 S CB -0.414 62.801 63.200 0.026 0.000 0.861 210 S HN 0.716 nan 8.310 nan 0.000 0.456 211 Q N -0.090 119.733 119.800 0.038 0.000 2.454 211 Q HA 0.547 4.883 4.340 -0.006 0.000 0.255 211 Q C -0.022 176.005 176.000 0.045 0.000 1.034 211 Q CA 0.368 56.193 55.803 0.037 0.000 0.736 211 Q CB 0.889 29.645 28.738 0.030 0.000 1.210 211 Q HN 0.424 nan 8.270 nan 0.000 0.500 212 G N 1.532 110.368 108.800 0.060 0.000 2.787 212 G HA2 0.085 4.041 3.960 -0.006 0.000 0.685 212 G HA3 0.085 4.041 3.960 -0.006 0.000 0.685 212 G C -0.596 174.356 174.900 0.087 0.000 1.437 212 G CA -0.561 44.583 45.100 0.073 0.000 0.872 212 G HN 0.841 nan 8.290 nan 0.000 0.566 213 A N 0.681 123.553 122.820 0.087 0.000 2.286 213 A HA 0.813 5.129 4.320 -0.006 0.000 0.286 213 A C 0.462 178.032 177.584 -0.024 0.000 1.097 213 A CA 0.115 52.156 52.037 0.007 0.000 0.821 213 A CB 0.824 19.805 19.000 -0.032 0.000 1.076 213 A HN 0.842 nan 8.150 nan 0.000 0.490 214 K N 0.339 120.706 120.400 -0.054 0.000 2.427 214 K HA 0.241 4.557 4.320 -0.006 0.000 0.252 214 K C -1.842 174.801 176.600 0.072 0.000 0.931 214 K CA -0.373 55.919 56.287 0.009 0.000 0.793 214 K CB 2.227 34.731 32.500 0.006 0.000 1.211 214 K HN 0.703 nan 8.250 nan 0.000 0.426 215 W N 5.232 126.458 121.300 -0.124 0.000 2.311 215 W HA 0.360 5.016 4.660 -0.007 0.000 0.317 215 W C -0.703 175.755 176.519 -0.102 0.000 1.065 215 W CA -0.825 56.450 57.345 -0.116 0.000 1.364 215 W CB 0.189 29.569 29.460 -0.132 0.000 1.233 215 W HN 0.357 nan 8.180 nan 0.000 0.409 216 V N 2.609 122.588 119.914 0.108 0.000 3.158 216 V HA 0.601 4.718 4.120 -0.006 0.000 0.315 216 V C 0.044 176.125 176.094 -0.022 0.000 1.148 216 V CA -0.870 61.410 62.300 -0.034 0.000 1.042 216 V CB 1.893 33.720 31.823 0.008 0.000 1.101 216 V HN 0.457 nan 8.190 nan 0.000 0.448 217 D N 0.433 120.820 120.400 -0.023 0.000 2.772 217 D HA -0.143 4.494 4.640 -0.006 0.000 0.233 217 D C 0.544 176.861 176.300 0.028 0.000 1.143 217 D CA 1.467 55.477 54.000 0.017 0.000 0.700 217 D CB -1.376 39.454 40.800 0.051 0.000 1.076 217 D HN 1.265 nan 8.370 nan 0.000 0.430 218 T N -2.794 111.729 114.554 -0.050 0.000 2.902 218 T HA 0.494 4.840 4.350 -0.006 0.000 0.280 218 T C 0.397 175.167 174.700 0.117 0.000 0.992 218 T CA -0.730 61.358 62.100 -0.021 0.000 1.015 218 T CB 2.212 70.887 68.868 -0.322 0.000 1.044 218 T HN 0.019 nan 8.240 nan 0.000 0.520 219 Q N 0.736 120.676 119.800 0.233 0.000 2.241 219 Q HA 0.567 4.903 4.340 -0.006 0.000 0.254 219 Q C -0.926 175.214 176.000 0.233 0.000 0.917 219 Q CA -0.882 55.085 55.803 0.274 0.000 0.919 219 Q CB 1.928 30.909 28.738 0.404 0.000 1.237 219 Q HN 0.524 nan 8.270 nan 0.000 0.434 220 V N 2.970 122.976 119.914 0.154 0.000 2.483 220 V HA 0.452 4.568 4.120 -0.006 0.000 0.295 220 V C -0.286 175.860 176.094 0.086 0.000 1.035 220 V CA -0.643 61.663 62.300 0.009 0.000 0.896 220 V CB 1.761 33.533 31.823 -0.085 0.000 0.986 220 V HN 0.485 nan 8.190 nan 0.000 0.447 221 V N 5.641 125.610 119.914 0.092 0.000 2.588 221 V HA 0.473 4.589 4.120 -0.006 0.000 0.304 221 V C -0.248 175.918 176.094 0.120 0.000 1.042 221 V CA -0.589 61.780 62.300 0.114 0.000 0.877 221 V CB 1.958 33.927 31.823 0.244 0.000 0.996 221 V HN 0.642 nan 8.190 nan 0.000 0.425 222 L N 3.560 124.845 121.223 0.104 0.000 2.350 222 L HA 0.749 5.085 4.340 -0.006 0.000 0.275 222 L C 0.464 177.502 176.870 0.280 0.000 1.099 222 L CA -0.339 54.577 54.840 0.127 0.000 0.808 222 L CB 1.367 43.482 42.059 0.093 0.000 1.149 222 L HN 0.758 nan 8.230 nan 0.000 0.442 223 A N 5.039 127.979 122.820 0.200 0.000 2.267 223 A HA 0.571 4.887 4.320 -0.006 0.000 0.315 223 A C -0.494 177.364 177.584 0.456 0.000 1.297 223 A CA -0.467 51.726 52.037 0.259 0.000 0.865 223 A CB 0.913 19.614 19.000 -0.498 0.000 1.165 223 A HN 0.780 nan 8.150 nan 0.000 0.513 224 M N 6.254 126.180 119.600 0.544 0.000 2.129 224 M HA 0.437 4.913 4.480 -0.006 0.000 0.348 224 M C -2.592 173.984 176.300 0.460 0.000 1.116 224 M CA -2.142 53.423 55.300 0.441 0.000 1.022 224 M CB 2.048 34.833 32.600 0.308 0.000 1.599 224 M HN 0.384 nan 8.290 nan 0.000 0.449 225 P HA 0.248 nan 4.420 nan 0.000 0.286 225 P C -1.963 175.270 177.300 -0.113 0.000 1.261 225 P CA -0.117 62.883 63.100 -0.168 0.000 0.821 225 P CB 0.746 32.089 31.700 -0.595 0.000 1.013 226 Y N 0.596 120.819 120.300 -0.128 0.000 2.331 226 Y HA 0.322 4.868 4.550 -0.007 0.000 0.334 226 Y C 0.180 176.055 175.900 -0.043 0.000 0.960 226 Y CA -0.273 57.814 58.100 -0.021 0.000 1.130 226 Y CB 1.428 39.910 38.460 0.037 0.000 1.164 226 Y HN 0.222 nan 8.280 nan 0.000 0.458 227 D N 1.852 122.341 120.400 0.148 0.000 2.168 227 D HA 0.445 5.082 4.640 -0.006 0.000 0.246 227 D C -0.623 175.886 176.300 0.348 0.000 1.050 227 D CA -0.241 53.883 54.000 0.206 0.000 0.857 227 D CB 1.808 42.751 40.800 0.238 0.000 1.169 227 D HN 0.365 nan 8.370 nan 0.000 0.453 228 T N 3.016 117.687 114.554 0.195 0.000 2.824 228 T HA 0.464 4.810 4.350 -0.006 0.000 0.282 228 T C -2.546 171.990 174.700 -0.273 0.000 0.993 228 T CA -1.430 60.690 62.100 0.032 0.000 0.967 228 T CB 2.117 70.998 68.868 0.022 0.000 0.960 228 T HN 0.180 nan 8.240 nan 0.000 0.441 229 P HA 0.311 nan 4.420 nan 0.000 0.275 229 P C -1.006 175.954 177.300 -0.567 0.000 1.227 229 P CA -0.382 62.022 63.100 -1.159 0.000 0.781 229 P CB 0.884 31.649 31.700 -1.558 0.000 0.906 230 V N 5.134 124.775 119.914 -0.454 0.000 2.340 230 V HA 0.253 4.369 4.120 -0.006 0.000 0.277 230 V C -2.024 173.932 176.094 -0.231 0.000 1.017 230 V CA -1.895 60.238 62.300 -0.280 0.000 0.820 230 V CB 1.367 33.072 31.823 -0.197 0.000 1.028 230 V HN 0.555 nan 8.190 nan 0.000 0.436 231 P HA 0.251 nan 4.420 nan 0.000 0.281 231 P C 0.359 177.607 177.300 -0.087 0.000 1.252 231 P CA 0.343 63.352 63.100 -0.152 0.000 0.778 231 P CB 1.715 33.323 31.700 -0.154 0.000 0.895 232 G N 2.460 111.227 108.800 -0.055 0.000 2.599 232 G HA2 0.139 4.095 3.960 -0.006 0.000 0.264 232 G HA3 0.139 4.095 3.960 -0.006 0.000 0.264 232 G C -1.178 173.734 174.900 0.021 0.000 1.200 232 G CA -0.616 44.481 45.100 -0.005 0.000 0.896 232 G HN 0.528 nan 8.290 nan 0.000 0.536 233 Y N 0.506 120.768 120.300 -0.063 0.000 2.584 233 Y HA 0.265 4.811 4.550 -0.007 0.000 0.351 233 Y C 1.244 177.107 175.900 -0.061 0.000 1.030 233 Y CA -0.260 57.798 58.100 -0.069 0.000 1.332 233 Y CB 0.151 38.570 38.460 -0.070 0.000 1.148 233 Y HN 0.700 nan 8.280 nan 0.000 0.528 234 R N 2.845 123.041 120.500 -0.506 0.000 3.591 234 R HA -0.321 4.015 4.340 -0.006 0.000 0.268 234 R C 0.040 176.202 176.300 -0.230 0.000 1.102 234 R CA 1.496 57.329 56.100 -0.445 0.000 0.732 234 R CB -1.845 28.032 30.300 -0.706 0.000 1.117 234 R HN 0.938 nan 8.270 nan 0.000 0.472 235 N N -1.337 117.281 118.700 -0.135 0.000 2.177 235 N HA 0.064 4.800 4.740 -0.006 0.000 0.218 235 N C -0.220 175.245 175.510 -0.074 0.000 1.182 235 N CA -0.377 52.625 53.050 -0.080 0.000 0.882 235 N CB 0.518 38.985 38.487 -0.033 0.000 1.052 235 N HN 0.083 nan 8.380 nan 0.000 0.519 236 N N -0.148 118.502 118.700 -0.083 0.000 2.753 236 N HA -0.134 4.603 4.740 -0.006 0.000 0.251 236 N C -0.948 174.523 175.510 -0.064 0.000 1.097 236 N CA 0.582 53.591 53.050 -0.069 0.000 0.786 236 N CB -1.245 37.202 38.487 -0.068 0.000 1.137 236 N HN 0.188 nan 8.380 nan 0.000 0.566 237 V N 1.160 121.040 119.914 -0.056 0.000 2.465 237 V HA 0.446 4.562 4.120 -0.006 0.000 0.279 237 V C 0.587 176.653 176.094 -0.046 0.000 1.045 237 V CA -0.477 61.797 62.300 -0.042 0.000 0.938 237 V CB 2.171 33.994 31.823 -0.000 0.000 0.986 237 V HN -0.043 nan 8.190 nan 0.000 0.467 238 V N 5.403 125.295 119.914 -0.037 0.000 2.419 238 V HA 0.426 4.542 4.120 -0.006 0.000 0.287 238 V C -0.097 175.985 176.094 -0.020 0.000 1.017 238 V CA -0.852 61.397 62.300 -0.086 0.000 0.844 238 V CB 1.425 33.176 31.823 -0.119 0.000 1.011 238 V HN 0.844 nan 8.190 nan 0.000 0.429 239 N N 1.986 120.646 118.700 -0.067 0.000 2.418 239 N HA 0.563 5.299 4.740 -0.006 0.000 0.283 239 N C -0.010 175.474 175.510 -0.044 0.000 1.267 239 N CA -0.270 52.761 53.050 -0.032 0.000 0.975 239 N CB 1.177 39.602 38.487 -0.104 0.000 1.167 239 N HN 0.571 nan 8.380 nan 0.000 0.581 240 T N 0.680 115.218 114.554 -0.026 0.000 2.863 240 T HA 0.447 4.793 4.350 -0.006 0.000 0.285 240 T C -0.296 174.360 174.700 -0.074 0.000 1.009 240 T CA -0.533 61.615 62.100 0.080 0.000 0.989 240 T CB 1.245 70.285 68.868 0.288 0.000 1.004 240 T HN 0.325 nan 8.240 nan 0.000 0.455 241 M N 3.505 123.030 119.600 -0.125 0.000 2.125 241 M HA 0.523 5.000 4.480 -0.006 0.000 0.321 241 M C -0.684 175.456 176.300 -0.267 0.000 0.983 241 M CA -0.754 54.379 55.300 -0.279 0.000 0.934 241 M CB 0.941 33.329 32.600 -0.354 0.000 1.542 241 M HN 0.502 nan 8.290 nan 0.000 0.424 242 R N 5.856 126.089 120.500 -0.444 0.000 2.265 242 R HA 0.630 4.966 4.340 -0.006 0.000 0.328 242 R C -1.944 174.076 176.300 -0.466 0.000 0.969 242 R CA -0.432 55.370 56.100 -0.497 0.000 0.832 242 R CB 0.920 30.756 30.300 -0.773 0.000 1.139 242 R HN 0.822 nan 8.270 nan 0.000 0.457 243 L N 5.193 126.241 121.223 -0.291 0.000 2.313 243 L HA 0.487 4.823 4.340 -0.006 0.000 0.283 243 L C -0.785 176.026 176.870 -0.098 0.000 1.013 243 L CA -0.919 53.843 54.840 -0.130 0.000 0.816 243 L CB 1.398 43.468 42.059 0.018 0.000 1.236 243 L HN 0.592 nan 8.230 nan 0.000 0.419 244 W N 1.904 123.316 121.300 0.186 0.000 2.316 244 W HA 0.464 5.120 4.660 -0.006 0.000 0.321 244 W C 0.569 177.301 176.519 0.355 0.000 1.203 244 W CA -0.166 57.308 57.345 0.214 0.000 1.214 244 W CB 1.388 30.822 29.460 -0.043 0.000 1.169 244 W HN 0.341 nan 8.180 nan 0.000 0.561 245 S N 1.748 117.850 115.700 0.671 0.000 2.500 245 S HA 0.770 5.236 4.470 -0.006 0.000 0.301 245 S C -0.494 174.448 174.600 0.570 0.000 1.092 245 S CA -0.728 57.773 58.200 0.503 0.000 1.030 245 S CB 0.636 64.067 63.200 0.384 0.000 1.031 245 S HN 0.539 nan 8.310 nan 0.000 0.483 246 A N 4.823 127.822 122.820 0.299 0.000 2.366 246 A HA 0.690 5.006 4.320 -0.006 0.000 0.272 246 A C -0.293 177.348 177.584 0.095 0.000 1.135 246 A CA -0.290 51.809 52.037 0.104 0.000 0.804 246 A CB 0.326 19.108 19.000 -0.363 0.000 1.064 246 A HN 0.662 nan 8.150 nan 0.000 0.499 247 K N 0.973 121.436 120.400 0.104 0.000 2.468 247 K HA 0.618 4.934 4.320 -0.006 0.000 0.252 247 K C -0.552 176.019 176.600 -0.048 0.000 0.932 247 K CA -0.406 55.905 56.287 0.040 0.000 0.794 247 K CB 2.285 34.844 32.500 0.100 0.000 1.241 247 K HN 0.811 nan 8.250 nan 0.000 0.428 248 A N 3.805 126.536 122.820 -0.148 0.000 2.340 248 A HA 0.533 4.849 4.320 -0.006 0.000 0.268 248 A C -2.081 175.441 177.584 -0.102 0.000 1.100 248 A CA -1.153 50.701 52.037 -0.305 0.000 0.803 248 A CB -0.213 18.428 19.000 -0.597 0.000 1.043 248 A HN 0.377 nan 8.150 nan 0.000 0.488 249 P HA 0.094 nan 4.420 nan 0.000 0.272 249 P C 0.008 177.379 177.300 0.117 0.000 1.230 249 P CA -0.414 62.726 63.100 0.067 0.000 0.788 249 P CB 0.623 32.386 31.700 0.104 0.000 0.949 250 N N 0.999 119.758 118.700 0.099 0.000 2.381 250 N HA -0.110 4.626 4.740 -0.006 0.000 0.182 250 N C 0.892 176.481 175.510 0.132 0.000 1.025 250 N CA 1.049 54.163 53.050 0.107 0.000 0.888 250 N CB -0.315 38.220 38.487 0.079 0.000 0.965 250 N HN 0.591 nan 8.380 nan 0.000 0.438 251 D N -0.709 119.772 120.400 0.135 0.000 2.328 251 D HA -0.078 4.558 4.640 -0.006 0.000 0.221 251 D C 0.202 176.587 176.300 0.141 0.000 1.072 251 D CA -0.553 53.517 54.000 0.116 0.000 0.850 251 D CB -0.735 40.116 40.800 0.086 0.000 0.922 251 D HN -0.021 nan 8.370 nan 0.000 0.516 252 F N 2.413 122.379 119.950 0.027 0.000 2.593 252 F HA 0.015 4.539 4.527 -0.006 0.000 0.393 252 F C 0.735 176.543 175.800 0.013 0.000 1.037 252 F CA 0.159 58.172 58.000 0.021 0.000 1.195 252 F CB -0.122 38.889 39.000 0.019 0.000 1.034 252 F HN -0.135 nan 8.300 nan 0.000 0.552 253 N N 2.361 120.709 118.700 -0.587 0.000 2.732 253 N HA -0.277 4.459 4.740 -0.006 0.000 0.250 253 N C -0.818 174.590 175.510 -0.170 0.000 1.097 253 N CA 1.467 54.246 53.050 -0.453 0.000 0.812 253 N CB -1.245 36.923 38.487 -0.531 0.000 1.148 253 N HN 0.529 nan 8.380 nan 0.000 0.572 262 Y N 0.918 121.216 120.300 -0.004 0.000 2.081 262 Y HA -0.132 4.414 4.550 -0.006 0.000 0.280 262 Y C 2.731 178.636 175.900 0.009 0.000 1.163 262 Y CA 2.454 60.555 58.100 0.002 0.000 1.135 262 Y CB -0.120 38.343 38.460 0.005 0.000 0.970 262 Y HN 0.233 nan 8.280 nan 0.000 0.498 263 I N 0.518 121.013 120.570 -0.124 0.000 2.127 263 I HA -0.333 3.833 4.170 -0.006 0.000 0.241 263 I C 2.407 178.417 176.117 -0.179 0.000 1.075 263 I CA 1.600 62.777 61.300 -0.205 0.000 1.334 263 I CB -1.475 36.513 38.000 -0.019 0.000 1.040 263 I HN 0.391 nan 8.210 nan 0.000 0.405 264 Q N 0.412 120.157 119.800 -0.093 0.000 2.096 264 Q HA -0.144 4.192 4.340 -0.006 0.000 0.204 264 Q C 2.384 178.335 176.000 -0.082 0.000 0.982 264 Q CA 1.880 57.643 55.803 -0.066 0.000 0.850 264 Q CB -0.375 28.340 28.738 -0.037 0.000 0.901 264 Q HN 0.566 nan 8.270 nan 0.000 0.422 265 A N 0.068 122.820 122.820 -0.114 0.000 1.908 265 A HA -0.137 4.179 4.320 -0.006 0.000 0.218 265 A C 2.410 179.946 177.584 -0.081 0.000 1.181 265 A CA 1.635 53.606 52.037 -0.110 0.000 0.627 265 A CB -0.611 18.324 19.000 -0.108 0.000 0.818 265 A HN 0.225 nan 8.150 nan 0.000 0.445 266 V N 0.139 119.940 119.914 -0.188 0.000 2.358 266 V HA -0.219 3.897 4.120 -0.006 0.000 0.246 266 V C 2.514 178.584 176.094 -0.040 0.000 1.047 266 V CA 1.787 64.003 62.300 -0.141 0.000 1.035 266 V CB -0.740 30.901 31.823 -0.303 0.000 0.658 266 V HN 0.568 nan 8.190 nan 0.000 0.452 267 L N -0.148 121.042 121.223 -0.056 0.000 2.131 267 L HA -0.156 4.180 4.340 -0.006 0.000 0.210 267 L C 1.985 178.877 176.870 0.037 0.000 1.092 267 L CA 1.244 56.078 54.840 -0.011 0.000 0.759 267 L CB -0.684 41.363 42.059 -0.020 0.000 0.903 267 L HN 0.340 nan 8.230 nan 0.000 0.435 268 D N 0.001 120.440 120.400 0.064 0.000 2.378 268 D HA -0.071 4.565 4.640 -0.006 0.000 0.227 268 D C 2.096 178.581 176.300 0.309 0.000 1.012 268 D CA 0.436 54.520 54.000 0.140 0.000 0.905 268 D CB -0.006 40.849 40.800 0.091 0.000 0.895 268 D HN 0.243 nan 8.370 nan 0.000 0.532 269 R N 0.273 120.925 120.500 0.253 0.000 2.193 269 R HA -0.047 4.289 4.340 -0.006 0.000 0.229 269 R C 1.695 177.979 176.300 -0.028 0.000 1.110 269 R CA 0.781 56.953 56.100 0.120 0.000 0.988 269 R CB -0.238 30.094 30.300 0.054 0.000 0.871 269 R HN 0.345 nan 8.270 nan 0.000 0.458 270 N N 0.317 119.037 118.700 0.034 0.000 2.205 270 N HA -0.181 4.555 4.740 -0.006 0.000 0.186 270 N C 1.232 176.744 175.510 0.003 0.000 1.015 270 N CA 0.701 53.758 53.050 0.013 0.000 0.862 270 N CB -0.085 38.421 38.487 0.031 0.000 0.986 270 N HN 0.017 nan 8.380 nan 0.000 0.429 271 L N 1.126 122.377 121.223 0.047 0.000 2.042 271 L HA -0.176 4.160 4.340 -0.006 0.000 0.210 271 L C 2.438 179.290 176.870 -0.030 0.000 1.076 271 L CA 1.549 56.419 54.840 0.049 0.000 0.749 271 L CB -0.999 41.147 42.059 0.144 0.000 0.893 271 L HN 0.167 nan 8.230 nan 0.000 0.432 272 A N -0.944 121.792 122.820 -0.139 0.000 1.897 272 A HA -0.134 4.182 4.320 -0.006 0.000 0.215 272 A C 2.104 179.562 177.584 -0.210 0.000 1.181 272 A CA 1.130 53.020 52.037 -0.246 0.000 0.620 272 A CB -0.417 18.256 19.000 -0.545 0.000 0.821 272 A HN 0.521 nan 8.150 nan 0.000 0.443 273 E N 0.287 120.387 120.200 -0.166 0.000 2.418 273 E HA -0.092 4.254 4.350 -0.006 0.000 0.197 273 E C 0.906 177.468 176.600 -0.063 0.000 1.026 273 E CA 0.307 56.643 56.400 -0.106 0.000 0.862 273 E CB -0.190 29.474 29.700 -0.059 0.000 0.799 273 E HN 0.449 nan 8.360 nan 0.000 0.518 274 N N 1.079 119.748 118.700 -0.052 0.000 2.453 274 N HA -0.073 4.663 4.740 -0.006 0.000 0.183 274 N C 1.623 177.128 175.510 -0.009 0.000 1.041 274 N CA 0.555 53.603 53.050 -0.003 0.000 0.900 274 N CB -0.041 38.449 38.487 0.005 0.000 0.961 274 N HN 0.273 nan 8.380 nan 0.000 0.443 275 I N 0.347 120.850 120.570 -0.112 0.000 2.194 275 I HA -0.251 3.915 4.170 -0.006 0.000 0.246 275 I C 1.428 177.516 176.117 -0.048 0.000 1.093 275 I CA 1.268 62.474 61.300 -0.156 0.000 1.355 275 I CB -0.215 37.512 38.000 -0.455 0.000 1.046 275 I HN 0.132 nan 8.210 nan 0.000 0.413 276 S N -0.453 115.215 115.700 -0.052 0.000 2.583 276 S HA 0.178 4.644 4.470 -0.006 0.000 0.239 276 S C 1.472 176.214 174.600 0.236 0.000 0.966 276 S CA -0.525 57.740 58.200 0.108 0.000 0.973 276 S CB 0.242 63.497 63.200 0.092 0.000 0.794 276 S HN 0.213 nan 8.310 nan 0.000 0.463 277 R N 1.226 121.862 120.500 0.228 0.000 2.073 277 R HA 0.285 4.621 4.340 -0.006 0.000 0.229 277 R C 0.401 176.957 176.300 0.427 0.000 1.120 277 R CA 1.113 57.392 56.100 0.298 0.000 0.967 277 R CB -0.203 30.231 30.300 0.222 0.000 0.862 277 R HN 0.397 nan 8.270 nan 0.000 0.436 278 V N 0.182 120.296 119.914 0.334 0.000 3.012 278 V HA 0.359 4.476 4.120 -0.006 0.000 0.307 278 V C -1.635 174.414 176.094 -0.075 0.000 1.166 278 V CA -1.379 61.041 62.300 0.201 0.000 0.974 278 V CB 1.801 33.666 31.823 0.070 0.000 1.040 278 V HN 0.147 nan 8.190 nan 0.000 0.428 279 L N 6.302 127.262 121.223 -0.438 0.000 2.367 279 L HA 0.490 4.827 4.340 -0.006 0.000 0.275 279 L C -0.900 175.798 176.870 -0.286 0.000 1.129 279 L CA 0.429 54.797 54.840 -0.787 0.000 0.839 279 L CB 0.576 42.113 42.059 -0.870 0.000 1.133 279 L HN 0.681 nan 8.230 nan 0.000 0.453 280 Y N 6.728 126.931 120.300 -0.161 0.000 2.496 280 Y HA 0.211 4.757 4.550 -0.007 0.000 0.334 280 Y C -1.383 174.507 175.900 -0.016 0.000 1.080 280 Y CA -1.300 56.783 58.100 -0.028 0.000 1.355 280 Y CB 0.421 38.889 38.460 0.015 0.000 1.193 280 Y HN 0.567 nan 8.280 nan 0.000 0.523 281 P HA -0.005 nan 4.420 nan 0.000 0.249 281 P C -0.877 176.558 177.300 0.225 0.000 1.593 281 P CA 0.219 63.424 63.100 0.176 0.000 0.896 281 P CB 0.076 31.975 31.700 0.330 0.000 1.581 282 N N 1.180 120.019 118.700 0.233 0.000 2.456 282 N HA 0.200 4.936 4.740 -0.006 0.000 0.288 282 N C -0.765 174.892 175.510 0.247 0.000 1.059 282 N CA -0.017 53.196 53.050 0.273 0.000 0.946 282 N CB 1.352 40.050 38.487 0.351 0.000 1.150 282 N HN 0.051 nan 8.380 nan 0.000 0.479 283 D N 0.608 121.178 120.400 0.282 0.000 2.344 283 D HA 0.222 4.858 4.640 -0.006 0.000 0.239 283 D C -0.336 176.174 176.300 0.349 0.000 1.064 283 D CA -0.329 53.834 54.000 0.272 0.000 0.829 283 D CB 0.353 41.308 40.800 0.259 0.000 1.129 283 D HN 0.311 nan 8.370 nan 0.000 0.506 284 N N 2.933 121.806 118.700 0.290 0.000 2.725 284 N HA -0.254 4.483 4.740 -0.006 0.000 0.251 284 N C -1.346 174.403 175.510 0.399 0.000 1.031 284 N CA 0.750 53.965 53.050 0.275 0.000 0.720 284 N CB -0.777 37.834 38.487 0.207 0.000 0.930 284 N HN 0.359 nan 8.380 nan 0.000 0.543 285 F N 0.645 120.697 119.950 0.170 0.000 2.623 285 F HA 0.410 4.933 4.527 -0.007 0.000 0.323 285 F C -1.325 174.558 175.800 0.138 0.000 1.158 285 F CA -1.152 56.926 58.000 0.129 0.000 1.030 285 F CB 0.891 39.927 39.000 0.061 0.000 1.280 285 F HN -0.011 nan 8.300 nan 0.000 0.474 286 F N 5.925 125.449 119.950 -0.711 0.000 2.410 286 F HA 0.495 5.018 4.527 -0.007 0.000 0.349 286 F C -0.473 174.845 175.800 -0.803 0.000 1.117 286 F CA -0.158 57.476 58.000 -0.609 0.000 1.104 286 F CB 0.806 39.512 39.000 -0.490 0.000 1.122 286 F HN 0.598 nan 8.300 nan 0.000 0.483 287 E N 4.346 123.838 120.200 -1.179 0.000 2.186 287 E HA 0.297 4.643 4.350 -0.006 0.000 0.255 287 E C -0.124 175.693 176.600 -1.305 0.000 0.881 287 E CA -0.738 55.081 56.400 -0.969 0.000 0.752 287 E CB 1.237 30.752 29.700 -0.308 0.000 1.176 287 E HN 0.920 nan 8.360 nan 0.000 0.421 288 G N 5.317 113.244 108.800 -1.455 0.000 3.197 288 G HA2 0.006 3.962 3.960 -0.006 0.000 0.257 288 G HA3 0.006 3.962 3.960 -0.006 0.000 0.257 288 G C -0.024 174.778 174.900 -0.163 0.000 0.835 288 G CA -0.150 44.334 45.100 -1.028 0.000 2.001 288 G HN 0.203 nan 8.290 nan 0.000 0.625 289 K N 0.468 120.839 120.400 -0.049 0.000 2.130 289 K HA 0.178 4.494 4.320 -0.006 0.000 0.268 289 K C 0.979 177.727 176.600 0.247 0.000 0.983 289 K CA -0.646 55.714 56.287 0.121 0.000 0.893 289 K CB 2.209 34.772 32.500 0.106 0.000 1.066 289 K HN 0.443 nan 8.250 nan 0.000 0.450 290 E N 1.717 122.030 120.200 0.189 0.000 2.085 290 E HA -0.222 4.124 4.350 -0.006 0.000 0.194 290 E C 1.520 178.159 176.600 0.065 0.000 0.994 290 E CA 1.061 57.526 56.400 0.108 0.000 0.801 290 E CB 0.150 29.914 29.700 0.107 0.000 0.743 290 E HN 0.402 nan 8.360 nan 0.000 0.453 291 L N 1.354 122.656 121.223 0.131 0.000 2.079 291 L HA -0.174 4.162 4.340 -0.006 0.000 0.210 291 L C 2.439 179.411 176.870 0.170 0.000 1.081 291 L CA 1.862 56.796 54.840 0.156 0.000 0.752 291 L CB -0.580 41.639 42.059 0.266 0.000 0.896 291 L HN 0.023 nan 8.230 nan 0.000 0.433 292 R N -0.585 119.969 120.500 0.090 0.000 2.096 292 R HA -0.157 4.179 4.340 -0.006 0.000 0.235 292 R C 2.109 178.456 176.300 0.079 0.000 1.127 292 R CA 1.849 57.929 56.100 -0.034 0.000 0.968 292 R CB -1.003 29.068 30.300 -0.383 0.000 0.861 292 R HN 0.422 nan 8.270 nan 0.000 0.440 293 L N 0.810 121.992 121.223 -0.069 0.000 2.093 293 L HA -0.055 4.281 4.340 -0.006 0.000 0.208 293 L C 1.689 178.506 176.870 -0.090 0.000 1.085 293 L CA 1.879 56.467 54.840 -0.419 0.000 0.755 293 L CB -0.380 41.135 42.059 -0.907 0.000 0.904 293 L HN 0.146 nan 8.230 nan 0.000 0.435 294 K N -0.936 119.466 120.400 0.003 0.000 2.057 294 K HA -0.188 4.128 4.320 -0.006 0.000 0.207 294 K C 2.076 178.849 176.600 0.289 0.000 1.049 294 K CA 1.779 58.151 56.287 0.141 0.000 0.931 294 K CB -0.184 32.223 32.500 -0.155 0.000 0.714 294 K HN 0.519 nan 8.250 nan 0.000 0.440 295 Q N 0.657 120.589 119.800 0.219 0.000 2.084 295 Q HA -0.186 4.151 4.340 -0.006 0.000 0.202 295 Q C 1.948 178.147 176.000 0.333 0.000 0.978 295 Q CA 1.406 57.393 55.803 0.307 0.000 0.844 295 Q CB -0.037 28.903 28.738 0.336 0.000 0.898 295 Q HN 0.387 nan 8.270 nan 0.000 0.426 296 E N -0.138 120.210 120.200 0.247 0.000 2.077 296 E HA -0.211 4.135 4.350 -0.006 0.000 0.193 296 E C 1.719 178.430 176.600 0.184 0.000 0.989 296 E CA 1.049 57.575 56.400 0.211 0.000 0.800 296 E CB -0.120 29.682 29.700 0.171 0.000 0.746 296 E HN 0.326 nan 8.360 nan 0.000 0.452 297 Y N 0.253 120.595 120.300 0.069 0.000 2.263 297 Y HA -0.175 4.371 4.550 -0.006 0.000 0.292 297 Y C 1.926 177.848 175.900 0.036 0.000 1.130 297 Y CA 0.838 58.926 58.100 -0.020 0.000 1.179 297 Y CB -0.304 38.098 38.460 -0.097 0.000 0.998 297 Y HN 0.007 nan 8.280 nan 0.000 0.532 298 F N -0.275 119.659 119.950 -0.027 0.000 2.065 298 F HA -0.242 4.281 4.527 -0.006 0.000 0.298 298 F C 2.478 178.125 175.800 -0.255 0.000 1.112 298 F CA 2.006 59.945 58.000 -0.101 0.000 1.212 298 F CB -1.085 38.008 39.000 0.155 0.000 0.975 298 F HN -0.058 nan 8.300 nan 0.000 0.476 299 V N -0.475 119.392 119.914 -0.079 0.000 2.358 299 V HA -0.198 3.918 4.120 -0.006 0.000 0.246 299 V C 2.197 178.131 176.094 -0.266 0.000 1.047 299 V CA 1.945 64.158 62.300 -0.145 0.000 1.035 299 V CB -0.392 31.540 31.823 0.182 0.000 0.658 299 V HN 0.252 nan 8.190 nan 0.000 0.452 300 V N 0.475 120.245 119.914 -0.241 0.000 2.307 300 V HA -0.175 3.941 4.120 -0.006 0.000 0.245 300 V C 2.817 178.646 176.094 -0.442 0.000 1.045 300 V CA 2.110 64.253 62.300 -0.262 0.000 1.024 300 V CB -1.111 30.620 31.823 -0.154 0.000 0.651 300 V HN 0.646 nan 8.190 nan 0.000 0.449 301 A N -0.082 122.301 122.820 -0.728 0.000 1.877 301 A HA -0.114 4.202 4.320 -0.006 0.000 0.216 301 A C 2.414 179.616 177.584 -0.636 0.000 1.186 301 A CA 2.156 53.755 52.037 -0.729 0.000 0.620 301 A CB -0.850 17.497 19.000 -1.089 0.000 0.822 301 A HN 0.562 nan 8.150 nan 0.000 0.443 302 A N -1.076 121.204 122.820 -0.901 0.000 1.902 302 A HA -0.069 4.247 4.320 -0.006 0.000 0.217 302 A C 2.318 179.391 177.584 -0.851 0.000 1.181 302 A CA 2.301 53.616 52.037 -1.203 0.000 0.623 302 A CB -1.308 16.284 19.000 -2.347 0.000 0.818 302 A HN 0.432 nan 8.150 nan 0.000 0.443 303 T N 0.521 114.704 114.554 -0.618 0.000 2.708 303 T HA -0.105 4.241 4.350 -0.006 0.000 0.266 303 T C 1.821 176.239 174.700 -0.470 0.000 1.037 303 T CA 1.480 63.320 62.100 -0.433 0.000 1.146 303 T CB -0.402 68.213 68.868 -0.422 0.000 0.865 303 T HN 0.343 nan 8.240 nan 0.000 0.435 304 L N 0.727 121.726 121.223 -0.373 0.000 2.083 304 L HA -0.163 4.174 4.340 -0.006 0.000 0.209 304 L C 2.896 179.648 176.870 -0.198 0.000 1.083 304 L CA 1.376 56.053 54.840 -0.273 0.000 0.752 304 L CB -0.525 41.415 42.059 -0.199 0.000 0.899 304 L HN 0.375 nan 8.230 nan 0.000 0.433 305 Q N -0.655 119.027 119.800 -0.198 0.000 2.119 305 Q HA -0.231 4.105 4.340 -0.006 0.000 0.201 305 Q C 1.733 177.703 176.000 -0.051 0.000 0.972 305 Q CA 1.542 57.283 55.803 -0.104 0.000 0.847 305 Q CB -0.092 28.573 28.738 -0.121 0.000 0.903 305 Q HN 0.390 nan 8.270 nan 0.000 0.433 306 D N 0.685 121.041 120.400 -0.074 0.000 2.117 306 D HA -0.096 4.540 4.640 -0.006 0.000 0.198 306 D C 1.689 177.940 176.300 -0.082 0.000 0.982 306 D CA 0.861 54.867 54.000 0.011 0.000 0.828 306 D CB -0.013 40.883 40.800 0.161 0.000 0.967 306 D HN 0.156 nan 8.370 nan 0.000 0.464 307 I N 0.236 120.647 120.570 -0.265 0.000 2.179 307 I HA -0.241 3.925 4.170 -0.006 0.000 0.242 307 I C 2.314 178.443 176.117 0.019 0.000 1.088 307 I CA 0.782 61.869 61.300 -0.355 0.000 1.357 307 I CB -0.161 37.468 38.000 -0.617 0.000 1.051 307 I HN 0.048 nan 8.210 nan 0.000 0.409 308 I N 0.241 120.879 120.570 0.112 0.000 2.315 308 I HA -0.281 3.885 4.170 -0.006 0.000 0.248 308 I C 2.781 179.070 176.117 0.287 0.000 1.117 308 I CA 1.090 62.578 61.300 0.313 0.000 1.404 308 I CB -0.455 37.679 38.000 0.223 0.000 1.071 308 I HN 0.226 nan 8.210 nan 0.000 0.419 309 R N 1.379 121.975 120.500 0.160 0.000 2.073 309 R HA -0.215 4.121 4.340 -0.006 0.000 0.234 309 R C 2.502 178.885 176.300 0.138 0.000 1.134 309 R CA 1.711 57.894 56.100 0.137 0.000 0.952 309 R CB -0.253 30.113 30.300 0.111 0.000 0.850 309 R HN 0.201 nan 8.270 nan 0.000 0.433 310 R N -0.572 120.005 120.500 0.129 0.000 2.120 310 R HA -0.160 4.176 4.340 -0.006 0.000 0.234 310 R C 2.134 178.539 176.300 0.174 0.000 1.123 310 R CA 1.575 57.753 56.100 0.131 0.000 0.975 310 R CB -0.354 30.008 30.300 0.102 0.000 0.866 310 R HN 0.289 nan 8.270 nan 0.000 0.446 311 F N 1.430 121.426 119.950 0.077 0.000 2.146 311 F HA -0.092 4.432 4.527 -0.007 0.000 0.298 311 F C 1.624 177.447 175.800 0.038 0.000 1.096 311 F CA 1.530 59.571 58.000 0.067 0.000 1.275 311 F CB 0.021 39.114 39.000 0.155 0.000 1.008 311 F HN -0.134 nan 8.300 nan 0.000 0.480 312 K N -0.361 119.999 120.400 -0.067 0.000 2.217 312 K HA -0.009 4.307 4.320 -0.006 0.000 0.202 312 K C 1.397 177.911 176.600 -0.143 0.000 1.051 312 K CA 1.144 57.309 56.287 -0.203 0.000 0.952 312 K CB -0.245 32.249 32.500 -0.009 0.000 0.736 312 K HN 0.088 nan 8.250 nan 0.000 0.453 313 S N 1.401 117.084 115.700 -0.027 0.000 2.767 313 S HA 0.114 4.581 4.470 -0.006 0.000 0.253 313 S C -0.025 174.616 174.600 0.067 0.000 1.082 313 S CA -0.260 57.968 58.200 0.047 0.000 1.148 313 S CB 0.117 63.383 63.200 0.110 0.000 0.808 313 S HN 0.112 nan 8.310 nan 0.000 0.466 325 N N 0.975 119.613 118.700 -0.103 0.000 2.868 325 N HA 0.258 4.994 4.740 -0.006 0.000 0.252 325 N C -0.137 175.439 175.510 0.110 0.000 1.130 325 N CA -0.121 52.947 53.050 0.030 0.000 1.026 325 N CB -0.006 38.500 38.487 0.033 0.000 1.335 325 N HN 0.098 nan 8.380 nan 0.000 0.516 326 F N 1.106 121.183 119.950 0.212 0.000 2.771 326 F HA 0.028 4.552 4.527 -0.007 0.000 0.299 326 F C 1.298 177.169 175.800 0.117 0.000 1.177 326 F CA 0.353 58.444 58.000 0.153 0.000 1.450 326 F CB 0.221 39.200 39.000 -0.034 0.000 1.114 326 F HN 0.442 nan 8.300 nan 0.000 0.587 327 D N -0.021 120.526 120.400 0.246 0.000 2.219 327 D HA -0.098 4.538 4.640 -0.006 0.000 0.205 327 D C 2.114 178.510 176.300 0.160 0.000 0.970 327 D CA 1.110 55.209 54.000 0.166 0.000 0.851 327 D CB -0.107 40.764 40.800 0.119 0.000 0.943 327 D HN 0.221 nan 8.370 nan 0.000 0.488 328 A N -0.682 122.261 122.820 0.206 0.000 2.275 328 A HA 0.126 4.442 4.320 -0.006 0.000 0.212 328 A C 1.514 179.218 177.584 0.199 0.000 1.201 328 A CA -0.346 51.806 52.037 0.192 0.000 0.843 328 A CB -0.753 18.368 19.000 0.201 0.000 0.873 328 A HN 0.215 nan 8.150 nan 0.000 0.492 329 F N 1.909 121.834 119.950 -0.042 0.000 2.091 329 F HA -0.138 4.385 4.527 -0.006 0.000 0.299 329 F C -0.823 174.871 175.800 -0.177 0.000 1.103 329 F CA 2.475 60.240 58.000 -0.391 0.000 1.228 329 F CB -0.567 38.213 39.000 -0.367 0.000 0.984 329 F HN 0.199 nan 8.300 nan 0.000 0.477 330 P HA -0.103 nan 4.420 nan 0.000 0.226 330 P C 0.750 178.009 177.300 -0.068 0.000 1.153 330 P CA 1.503 64.576 63.100 -0.045 0.000 0.777 330 P CB -0.050 31.653 31.700 0.004 0.000 0.794 331 D N -0.899 119.483 120.400 -0.030 0.000 2.289 331 D HA -0.031 4.605 4.640 -0.006 0.000 0.207 331 D C 1.478 177.767 176.300 -0.018 0.000 0.966 331 D CA 0.931 54.927 54.000 -0.007 0.000 0.868 331 D CB 0.097 40.915 40.800 0.030 0.000 0.943 331 D HN 0.148 nan 8.370 nan 0.000 0.514 332 K N 0.150 120.519 120.400 -0.053 0.000 2.373 332 K HA 0.213 4.529 4.320 -0.006 0.000 0.200 332 K C -0.009 176.509 176.600 -0.137 0.000 1.054 332 K CA 0.043 56.311 56.287 -0.032 0.000 1.065 332 K CB 2.232 34.821 32.500 0.149 0.000 0.886 332 K HN -0.048 nan 8.250 nan 0.000 0.546 333 V N 0.762 120.501 119.914 -0.292 0.000 2.760 333 V HA 0.655 4.771 4.120 -0.006 0.000 0.309 333 V C -1.155 174.849 176.094 -0.150 0.000 1.077 333 V CA -1.296 60.832 62.300 -0.287 0.000 0.910 333 V CB 1.935 33.290 31.823 -0.780 0.000 1.008 333 V HN 0.099 nan 8.190 nan 0.000 0.424 334 A N 5.332 128.124 122.820 -0.046 0.000 2.359 334 A HA 0.922 5.239 4.320 -0.006 0.000 0.303 334 A C -1.089 176.522 177.584 0.046 0.000 1.066 334 A CA -0.431 51.606 52.037 0.000 0.000 0.730 334 A CB 1.077 20.019 19.000 -0.097 0.000 1.211 334 A HN 0.759 nan 8.150 nan 0.000 0.439 335 I N 1.883 122.524 120.570 0.118 0.000 2.382 335 I HA 0.313 4.479 4.170 -0.006 0.000 0.286 335 I C -0.367 175.844 176.117 0.157 0.000 1.002 335 I CA -0.566 60.816 61.300 0.135 0.000 1.135 335 I CB 1.988 40.049 38.000 0.102 0.000 1.288 335 I HN 0.697 nan 8.210 nan 0.000 0.448 336 Q N 6.883 126.776 119.800 0.154 0.000 2.314 336 Q HA 0.505 4.841 4.340 -0.006 0.000 0.259 336 Q C -1.344 174.668 176.000 0.019 0.000 0.951 336 Q CA -0.265 55.661 55.803 0.206 0.000 0.909 336 Q CB 1.312 30.288 28.738 0.397 0.000 1.236 336 Q HN 0.570 nan 8.270 nan 0.000 0.444 337 L N 3.785 125.054 121.223 0.078 0.000 2.261 337 L HA 0.392 4.728 4.340 -0.006 0.000 0.289 337 L C 0.087 176.988 176.870 0.051 0.000 1.059 337 L CA -0.743 54.131 54.840 0.056 0.000 0.816 337 L CB 0.635 42.776 42.059 0.136 0.000 1.191 337 L HN 0.571 nan 8.230 nan 0.000 0.431 338 N N 3.602 122.251 118.700 -0.085 0.000 2.508 338 N HA 0.096 4.832 4.740 -0.006 0.000 0.253 338 N C -0.191 175.349 175.510 0.050 0.000 1.145 338 N CA 0.473 53.524 53.050 0.002 0.000 0.973 338 N CB -0.096 38.294 38.487 -0.161 0.000 1.305 338 N HN 0.717 nan 8.380 nan 0.000 0.506 339 D N -0.461 120.059 120.400 0.201 0.000 3.876 339 D HA -0.250 4.386 4.640 -0.006 0.000 0.275 339 D C 0.401 176.822 176.300 0.202 0.000 2.055 339 D CA 1.855 55.974 54.000 0.198 0.000 1.173 339 D CB -0.499 40.221 40.800 -0.133 0.000 0.929 339 D HN 0.482 nan 8.370 nan 0.000 1.134 340 T N -3.103 111.511 114.554 0.099 0.000 3.129 340 T HA 0.101 4.448 4.350 -0.006 0.000 0.251 340 T C 1.478 176.270 174.700 0.154 0.000 1.117 340 T CA 1.396 63.530 62.100 0.057 0.000 1.034 340 T CB -0.494 68.373 68.868 -0.002 0.000 0.968 340 T HN 0.519 nan 8.240 nan 0.000 0.526 341 H N 2.638 121.802 119.070 0.157 0.000 2.390 341 H HA -0.025 4.527 4.556 -0.006 0.000 0.298 341 H C -0.786 174.633 175.328 0.152 0.000 1.106 341 H CA 1.146 57.300 56.048 0.177 0.000 1.297 341 H CB -0.751 29.114 29.762 0.173 0.000 1.375 341 H HN 0.452 nan 8.280 nan 0.000 0.509 342 P HA 0.091 nan 4.420 nan 0.000 0.266 342 P C 0.735 178.081 177.300 0.077 0.000 1.561 342 P CA 0.369 63.551 63.100 0.138 0.000 1.089 342 P CB 0.495 32.265 31.700 0.116 0.000 1.534 343 S N 0.005 115.746 115.700 0.068 0.000 2.440 343 S HA -0.132 4.334 4.470 -0.006 0.000 0.238 343 S C 1.785 176.389 174.600 0.005 0.000 1.010 343 S CA 0.799 58.998 58.200 -0.001 0.000 0.972 343 S CB -1.480 61.696 63.200 -0.039 0.000 0.774 343 S HN 0.153 nan 8.310 nan 0.000 0.501 344 L N 0.948 122.188 121.223 0.029 0.000 2.549 344 L HA 0.043 4.379 4.340 -0.006 0.000 0.229 344 L C 2.873 179.778 176.870 0.058 0.000 1.158 344 L CA 0.586 55.446 54.840 0.033 0.000 0.842 344 L CB -0.728 41.352 42.059 0.035 0.000 0.952 344 L HN 0.477 nan 8.230 nan 0.000 0.452 345 A N 0.475 123.310 122.820 0.025 0.000 1.972 345 A HA -0.165 4.151 4.320 -0.006 0.000 0.219 345 A C 2.180 179.762 177.584 -0.003 0.000 1.169 345 A CA 1.313 53.350 52.037 0.000 0.000 0.635 345 A CB -0.395 18.597 19.000 -0.014 0.000 0.810 345 A HN 0.367 nan 8.150 nan 0.000 0.446 346 I N 0.326 120.895 120.570 -0.002 0.000 2.133 346 I HA -0.141 4.025 4.170 -0.006 0.000 0.238 346 I C -0.337 175.793 176.117 0.023 0.000 1.074 346 I CA 1.519 62.815 61.300 -0.008 0.000 1.342 346 I CB -0.978 37.020 38.000 -0.003 0.000 1.053 346 I HN 0.250 nan 8.210 nan 0.000 0.404 347 P HA -0.155 nan 4.420 nan 0.000 0.222 347 P C 1.248 178.566 177.300 0.030 0.000 1.153 347 P CA 1.423 64.554 63.100 0.051 0.000 0.798 347 P CB 0.061 31.811 31.700 0.083 0.000 0.796 348 E N 0.406 120.691 120.200 0.142 0.000 2.106 348 E HA -0.144 4.202 4.350 -0.006 0.000 0.192 348 E C 1.920 178.506 176.600 -0.024 0.000 0.984 348 E CA 0.638 57.139 56.400 0.167 0.000 0.806 348 E CB -1.175 28.672 29.700 0.245 0.000 0.750 348 E HN 0.012 nan 8.360 nan 0.000 0.458 349 L N -0.090 121.088 121.223 -0.075 0.000 2.093 349 L HA -0.065 4.271 4.340 -0.006 0.000 0.208 349 L C 2.044 178.771 176.870 -0.239 0.000 1.085 349 L CA 1.676 56.413 54.840 -0.173 0.000 0.755 349 L CB -0.485 41.473 42.059 -0.169 0.000 0.904 349 L HN 0.222 nan 8.230 nan 0.000 0.435 350 M N -0.745 118.730 119.600 -0.209 0.000 2.117 350 M HA -0.189 4.287 4.480 -0.006 0.000 0.262 350 M C 2.434 178.567 176.300 -0.278 0.000 1.065 350 M CA 1.506 56.630 55.300 -0.294 0.000 1.114 350 M CB -1.143 31.268 32.600 -0.314 0.000 1.361 350 M HN 0.341 nan 8.290 nan 0.000 0.408 351 R N 0.054 120.416 120.500 -0.229 0.000 2.083 351 R HA -0.132 4.204 4.340 -0.006 0.000 0.237 351 R C 2.044 178.241 176.300 -0.173 0.000 1.137 351 R CA 1.664 57.632 56.100 -0.221 0.000 0.951 351 R CB -0.185 29.930 30.300 -0.307 0.000 0.851 351 R HN 0.198 nan 8.270 nan 0.000 0.434 352 V N 1.465 121.275 119.914 -0.172 0.000 2.295 352 V HA -0.252 3.864 4.120 -0.006 0.000 0.246 352 V C 2.422 178.359 176.094 -0.262 0.000 1.049 352 V CA 1.752 63.947 62.300 -0.176 0.000 1.024 352 V CB -0.413 31.303 31.823 -0.179 0.000 0.648 352 V HN 0.344 nan 8.190 nan 0.000 0.447 353 L N -0.590 120.411 121.223 -0.370 0.000 2.046 353 L HA -0.132 4.204 4.340 -0.006 0.000 0.208 353 L C 2.406 179.097 176.870 -0.299 0.000 1.077 353 L CA 1.146 55.703 54.840 -0.472 0.000 0.747 353 L CB -0.652 41.080 42.059 -0.546 0.000 0.896 353 L HN 0.211 nan 8.230 nan 0.000 0.432 354 V N -0.494 119.284 119.914 -0.228 0.000 2.302 354 V HA -0.191 3.926 4.120 -0.006 0.000 0.243 354 V C 1.998 178.052 176.094 -0.067 0.000 1.036 354 V CA 1.730 63.957 62.300 -0.121 0.000 1.020 354 V CB -0.381 31.395 31.823 -0.080 0.000 0.657 354 V HN 0.347 nan 8.190 nan 0.000 0.453 355 D N -0.005 120.352 120.400 -0.072 0.000 2.149 355 D HA -0.021 4.615 4.640 -0.006 0.000 0.201 355 D C 2.053 178.331 176.300 -0.036 0.000 0.972 355 D CA 1.187 55.164 54.000 -0.038 0.000 0.835 355 D CB 0.016 40.792 40.800 -0.040 0.000 0.966 355 D HN 0.323 nan 8.370 nan 0.000 0.476 356 L N 0.210 121.397 121.223 -0.061 0.000 2.286 356 L HA 0.095 4.431 4.340 -0.006 0.000 0.203 356 L C 1.880 178.727 176.870 -0.038 0.000 1.068 356 L CA 0.552 55.367 54.840 -0.041 0.000 0.811 356 L CB 0.005 42.040 42.059 -0.039 0.000 0.989 356 L HN -0.178 nan 8.230 nan 0.000 0.467 357 E N 0.277 120.421 120.200 -0.094 0.000 2.442 357 E HA 0.018 4.364 4.350 -0.006 0.000 0.195 357 E C 0.158 176.736 176.600 -0.037 0.000 1.030 357 E CA -0.009 56.350 56.400 -0.068 0.000 0.869 357 E CB 0.304 29.856 29.700 -0.246 0.000 0.857 357 E HN 0.175 nan 8.360 nan 0.000 0.505 358 R N -0.385 120.084 120.500 -0.050 0.000 3.776 358 R HA -0.176 4.160 4.340 -0.006 0.000 0.312 358 R C -0.433 175.859 176.300 -0.015 0.000 1.181 358 R CA 0.224 56.315 56.100 -0.016 0.000 0.836 358 R CB -2.768 27.540 30.300 0.014 0.000 1.324 358 R HN 0.079 nan 8.270 nan 0.000 0.501 359 L N 2.082 123.268 121.223 -0.062 0.000 2.418 359 L HA 0.201 4.537 4.340 -0.006 0.000 0.265 359 L C 1.369 178.233 176.870 -0.011 0.000 1.143 359 L CA 0.031 54.843 54.840 -0.046 0.000 0.809 359 L CB 0.452 42.436 42.059 -0.124 0.000 1.124 359 L HN 0.119 nan 8.230 nan 0.000 0.456 360 D N 0.577 120.995 120.400 0.030 0.000 2.362 360 D HA -0.130 4.506 4.640 -0.006 0.000 0.242 360 D C 0.962 177.327 176.300 0.109 0.000 1.132 360 D CA -0.510 53.541 54.000 0.085 0.000 0.907 360 D CB 0.738 41.594 40.800 0.093 0.000 1.195 360 D HN 0.598 nan 8.370 nan 0.000 0.429 361 W N 1.988 123.290 121.300 0.003 0.000 2.301 361 W HA -0.256 4.400 4.660 -0.006 0.000 0.325 361 W C 1.046 177.608 176.519 0.071 0.000 1.250 361 W CA 2.080 59.433 57.345 0.015 0.000 1.261 361 W CB -0.403 29.044 29.460 -0.020 0.000 1.157 361 W HN 0.434 nan 8.180 nan 0.000 0.473 362 D N 0.301 120.915 120.400 0.358 0.000 2.158 362 D HA -0.230 4.406 4.640 -0.006 0.000 0.197 362 D C 1.870 178.274 176.300 0.173 0.000 0.995 362 D CA 2.209 56.384 54.000 0.290 0.000 0.846 362 D CB -0.465 40.471 40.800 0.227 0.000 0.941 362 D HN 0.087 nan 8.370 nan 0.000 0.456 363 K N 0.960 121.418 120.400 0.097 0.000 2.062 363 K HA 0.058 4.375 4.320 -0.006 0.000 0.205 363 K C 1.832 178.421 176.600 -0.019 0.000 1.051 363 K CA 1.423 57.738 56.287 0.048 0.000 0.941 363 K CB -0.587 31.936 32.500 0.038 0.000 0.719 363 K HN -0.001 nan 8.250 nan 0.000 0.440 364 A N 0.710 123.474 122.820 -0.093 0.000 1.908 364 A HA -0.194 4.123 4.320 -0.006 0.000 0.218 364 A C 2.265 179.747 177.584 -0.170 0.000 1.181 364 A CA 1.556 53.467 52.037 -0.211 0.000 0.627 364 A CB -1.245 17.559 19.000 -0.326 0.000 0.818 364 A HN 0.701 nan 8.150 nan 0.000 0.445 365 W N 0.608 121.690 121.300 -0.362 0.000 2.358 365 W HA -0.158 4.498 4.660 -0.006 0.000 0.303 365 W C 1.995 178.452 176.519 -0.104 0.000 1.208 365 W CA 1.767 58.952 57.345 -0.268 0.000 1.274 365 W CB -0.098 29.245 29.460 -0.194 0.000 1.138 365 W HN 0.616 nan 8.180 nan 0.000 0.515 366 E N 0.146 120.338 120.200 -0.014 0.000 2.058 366 E HA -0.227 4.119 4.350 -0.006 0.000 0.194 366 E C 2.045 178.565 176.600 -0.133 0.000 0.997 366 E CA 1.955 58.313 56.400 -0.071 0.000 0.801 366 E CB -0.329 29.386 29.700 0.025 0.000 0.746 366 E HN 0.058 nan 8.360 nan 0.000 0.450 367 V N 0.789 120.640 119.914 -0.105 0.000 2.295 367 V HA -0.264 3.852 4.120 -0.006 0.000 0.246 367 V C 2.424 178.449 176.094 -0.115 0.000 1.049 367 V CA 2.207 64.462 62.300 -0.075 0.000 1.024 367 V CB -0.804 30.965 31.823 -0.091 0.000 0.648 367 V HN 0.382 nan 8.190 nan 0.000 0.447 368 T N 0.056 114.469 114.554 -0.235 0.000 2.684 368 T HA -0.183 4.163 4.350 -0.006 0.000 0.267 368 T C 1.951 176.467 174.700 -0.307 0.000 1.036 368 T CA 1.790 63.725 62.100 -0.274 0.000 1.148 368 T CB -0.303 68.344 68.868 -0.368 0.000 0.863 368 T HN 0.279 nan 8.240 nan 0.000 0.436 369 V N 1.521 121.133 119.914 -0.503 0.000 2.287 369 V HA -0.190 3.926 4.120 -0.006 0.000 0.248 369 V C 2.357 178.402 176.094 -0.083 0.000 1.053 369 V CA 1.663 63.728 62.300 -0.392 0.000 1.027 369 V CB -0.510 31.011 31.823 -0.504 0.000 0.646 369 V HN 0.487 nan 8.190 nan 0.000 0.447 370 K N -0.488 119.846 120.400 -0.110 0.000 2.283 370 K HA -0.090 4.227 4.320 -0.006 0.000 0.202 370 K C 2.073 178.638 176.600 -0.059 0.000 1.048 370 K CA 1.543 57.745 56.287 -0.141 0.000 0.948 370 K CB -0.219 32.203 32.500 -0.130 0.000 0.742 370 K HN 0.469 nan 8.250 nan 0.000 0.458 371 T N 0.251 114.833 114.554 0.047 0.000 2.976 371 T HA 0.024 4.370 4.350 -0.006 0.000 0.257 371 T C 0.919 175.729 174.700 0.183 0.000 1.051 371 T CA 0.360 62.527 62.100 0.111 0.000 1.141 371 T CB 0.106 69.074 68.868 0.166 0.000 0.881 371 T HN 0.171 nan 8.240 nan 0.000 0.461 372 C N 2.392 121.782 119.300 0.150 0.000 2.401 372 C HA 0.880 5.336 4.460 -0.006 0.000 0.365 372 C C 0.580 175.623 174.990 0.089 0.000 1.250 372 C CA -1.262 57.825 59.018 0.114 0.000 2.131 372 C CB 0.102 27.847 27.740 0.007 0.000 2.445 372 C HN 0.579 nan 8.230 nan 0.000 0.550 373 A N 2.049 124.915 122.820 0.076 0.000 2.449 373 A HA 0.758 5.075 4.320 -0.006 0.000 0.302 373 A C -1.523 176.132 177.584 0.118 0.000 1.048 373 A CA -0.416 51.612 52.037 -0.015 0.000 0.708 373 A CB 1.037 20.056 19.000 0.032 0.000 1.274 373 A HN 0.951 nan 8.150 nan 0.000 0.410 374 Y N 1.109 121.357 120.300 -0.088 0.000 2.376 374 Y HA 0.658 5.204 4.550 -0.006 0.000 0.340 374 Y C -0.542 175.340 175.900 -0.031 0.000 0.965 374 Y CA -0.305 57.760 58.100 -0.059 0.000 1.078 374 Y CB 2.108 40.493 38.460 -0.126 0.000 1.193 374 Y HN 0.565 nan 8.280 nan 0.000 0.452 375 T N 6.550 120.866 114.554 -0.397 0.000 2.770 375 T HA 0.200 4.546 4.350 -0.006 0.000 0.283 375 T C -0.863 173.343 174.700 -0.823 0.000 0.988 375 T CA -0.822 60.982 62.100 -0.493 0.000 0.957 375 T CB 0.473 69.289 68.868 -0.086 0.000 0.930 375 T HN 0.660 nan 8.240 nan 0.000 0.443 376 N N 1.774 120.003 118.700 -0.786 0.000 2.479 376 N HA 0.134 4.870 4.740 -0.006 0.000 0.285 376 N C -0.046 175.307 175.510 -0.262 0.000 1.075 376 N CA -0.328 52.490 53.050 -0.387 0.000 0.967 376 N CB 0.786 39.233 38.487 -0.067 0.000 1.137 376 N HN 0.663 nan 8.380 nan 0.000 0.472 377 H N 1.043 120.140 119.070 0.045 0.000 2.784 377 H HA 0.185 4.737 4.556 -0.007 0.000 0.273 377 H C -0.225 175.025 175.328 -0.129 0.000 1.112 377 H CA -0.036 55.990 56.048 -0.037 0.000 1.162 377 H CB 1.046 30.790 29.762 -0.030 0.000 1.586 377 H HN 0.548 nan 8.280 nan 0.000 0.548 378 T N 0.068 114.644 114.554 0.037 0.000 2.827 378 T HA 0.214 4.560 4.350 -0.006 0.000 0.328 378 T C 0.229 174.947 174.700 0.030 0.000 1.598 378 T CA -0.268 61.805 62.100 -0.046 0.000 1.043 378 T CB 1.108 69.952 68.868 -0.040 0.000 1.447 378 T HN -0.053 nan 8.240 nan 0.000 0.491 379 V N 1.227 121.119 119.914 -0.037 0.000 3.477 379 V HA 0.560 4.677 4.120 -0.006 0.000 0.297 379 V C 0.628 176.686 176.094 -0.060 0.000 1.433 379 V CA -0.082 62.189 62.300 -0.049 0.000 1.052 379 V CB -0.339 31.457 31.823 -0.045 0.000 0.895 379 V HN 0.693 nan 8.190 nan 0.000 0.438 380 L N 3.284 124.463 121.223 -0.074 0.000 2.462 380 L HA 0.219 4.555 4.340 -0.006 0.000 0.272 380 L C -0.455 176.424 176.870 0.014 0.000 1.166 380 L CA -1.005 53.821 54.840 -0.024 0.000 0.880 380 L CB 0.788 42.822 42.059 -0.040 0.000 1.142 380 L HN 0.121 nan 8.230 nan 0.000 0.473 381 P HA -0.223 nan 4.420 nan 0.000 0.216 381 P C 0.905 178.222 177.300 0.029 0.000 1.150 381 P CA 1.340 64.452 63.100 0.020 0.000 0.837 381 P CB 0.060 31.775 31.700 0.025 0.000 0.786 382 E N 0.258 120.508 120.200 0.083 0.000 2.418 382 E HA -0.046 4.300 4.350 -0.006 0.000 0.197 382 E C 1.636 178.258 176.600 0.037 0.000 1.026 382 E CA 1.035 57.489 56.400 0.091 0.000 0.862 382 E CB -0.670 29.184 29.700 0.257 0.000 0.799 382 E HN 0.223 nan 8.360 nan 0.000 0.518 383 A N 1.222 124.081 122.820 0.065 0.000 2.169 383 A HA 0.235 4.551 4.320 -0.006 0.000 0.210 383 A C 1.325 178.910 177.584 0.003 0.000 1.168 383 A CA -0.312 51.769 52.037 0.073 0.000 0.813 383 A CB -0.038 19.024 19.000 0.103 0.000 0.861 383 A HN 0.141 nan 8.150 nan 0.000 0.481 384 L N 1.561 122.742 121.223 -0.071 0.000 2.410 384 L HA 0.134 4.470 4.340 -0.006 0.000 0.273 384 L C -0.081 176.471 176.870 -0.530 0.000 1.152 384 L CA -0.150 54.584 54.840 -0.177 0.000 0.855 384 L CB 0.531 42.517 42.059 -0.122 0.000 1.129 384 L HN 0.331 nan 8.230 nan 0.000 0.463 385 E N 4.146 123.937 120.200 -0.681 0.000 2.223 385 E HA 0.236 4.582 4.350 -0.006 0.000 0.282 385 E C -0.604 175.374 176.600 -1.037 0.000 1.046 385 E CA -0.176 55.368 56.400 -1.427 0.000 0.857 385 E CB 0.740 29.957 29.700 -0.805 0.000 1.055 385 E HN 0.400 nan 8.360 nan 0.000 0.409 386 R N 3.701 123.446 120.500 -1.258 0.000 2.576 386 R HA 0.185 4.521 4.340 -0.006 0.000 0.283 386 R C -1.308 174.804 176.300 -0.313 0.000 1.493 386 R CA -0.548 55.245 56.100 -0.511 0.000 1.170 386 R CB 0.773 30.896 30.300 -0.296 0.000 1.189 386 R HN 0.456 nan 8.270 nan 0.000 0.542 387 W N 4.162 125.401 121.300 -0.102 0.000 2.287 387 W HA 0.268 4.925 4.660 -0.007 0.000 0.313 387 W C -1.910 174.573 176.519 -0.061 0.000 1.267 387 W CA -2.087 55.262 57.345 0.006 0.000 1.201 387 W CB 0.623 30.069 29.460 -0.023 0.000 1.196 387 W HN 0.230 nan 8.180 nan 0.000 0.536 388 P HA -0.084 nan 4.420 nan 0.000 0.264 388 P C 0.790 178.004 177.300 -0.145 0.000 1.193 388 P CA 0.201 63.246 63.100 -0.092 0.000 0.763 388 P CB 0.751 32.223 31.700 -0.380 0.000 0.810 389 V N 3.269 123.148 119.914 -0.058 0.000 2.392 389 V HA -0.286 3.830 4.120 -0.006 0.000 0.249 389 V C 2.110 178.204 176.094 -0.001 0.000 1.059 389 V CA 2.509 64.807 62.300 -0.004 0.000 1.051 389 V CB -1.722 30.163 31.823 0.103 0.000 0.658 389 V HN 0.758 nan 8.190 nan 0.000 0.455 390 H N -0.943 118.187 119.070 0.099 0.000 2.456 390 H HA -0.092 4.460 4.556 -0.006 0.000 0.296 390 H C 1.976 177.355 175.328 0.085 0.000 1.079 390 H CA 1.627 57.729 56.048 0.090 0.000 1.322 390 H CB -0.579 29.237 29.762 0.089 0.000 1.388 390 H HN 0.372 nan 8.280 nan 0.000 0.538 391 L N -0.137 121.000 121.223 -0.144 0.000 2.044 391 L HA -0.055 4.281 4.340 -0.006 0.000 0.205 391 L C 2.347 179.197 176.870 -0.034 0.000 1.075 391 L CA 0.930 55.771 54.840 0.002 0.000 0.747 391 L CB -0.205 41.833 42.059 -0.035 0.000 0.903 391 L HN 0.316 nan 8.230 nan 0.000 0.435 392 L N -0.522 120.645 121.223 -0.094 0.000 2.083 392 L HA -0.244 4.093 4.340 -0.006 0.000 0.209 392 L C 2.480 179.296 176.870 -0.090 0.000 1.083 392 L CA 1.215 55.967 54.840 -0.148 0.000 0.752 392 L CB -0.501 41.454 42.059 -0.173 0.000 0.899 392 L HN 0.347 nan 8.230 nan 0.000 0.433 393 E N -0.220 119.970 120.200 -0.017 0.000 2.085 393 E HA -0.222 4.125 4.350 -0.006 0.000 0.194 393 E C 1.875 178.518 176.600 0.071 0.000 0.994 393 E CA 1.949 58.370 56.400 0.035 0.000 0.801 393 E CB 0.140 29.898 29.700 0.098 0.000 0.743 393 E HN 0.421 nan 8.360 nan 0.000 0.453 394 T N 0.521 115.141 114.554 0.111 0.000 2.939 394 T HA -0.040 4.307 4.350 -0.006 0.000 0.254 394 T C 1.656 176.477 174.700 0.203 0.000 1.041 394 T CA 0.578 62.792 62.100 0.190 0.000 1.142 394 T CB -0.066 68.946 68.868 0.240 0.000 0.874 394 T HN 0.075 nan 8.240 nan 0.000 0.452 395 L N 0.181 121.428 121.223 0.040 0.000 2.162 395 L HA 0.363 4.699 4.340 -0.006 0.000 0.205 395 L C 0.346 177.154 176.870 -0.103 0.000 1.086 395 L CA 1.589 56.337 54.840 -0.155 0.000 0.778 395 L CB 0.034 41.968 42.059 -0.207 0.000 0.928 395 L HN 0.164 nan 8.230 nan 0.000 0.446 396 L N 0.901 122.025 121.223 -0.166 0.000 2.551 396 L HA 0.292 4.629 4.340 -0.006 0.000 0.248 396 L C -1.660 175.033 176.870 -0.295 0.000 1.509 396 L CA -0.948 53.703 54.840 -0.315 0.000 0.842 396 L CB 0.932 42.643 42.059 -0.580 0.000 1.087 396 L HN -0.058 nan 8.230 nan 0.000 0.512 397 P HA -0.232 nan 4.420 nan 0.000 0.216 397 P C 1.454 178.566 177.300 -0.314 0.000 1.150 397 P CA 1.328 64.312 63.100 -0.194 0.000 0.843 397 P CB 0.383 32.043 31.700 -0.067 0.000 0.787 398 R N -0.351 119.779 120.500 -0.617 0.000 2.090 398 R HA -0.134 4.202 4.340 -0.006 0.000 0.228 398 R C 2.357 178.355 176.300 -0.503 0.000 1.110 398 R CA 1.528 57.271 56.100 -0.595 0.000 0.973 398 R CB -1.372 28.395 30.300 -0.889 0.000 0.869 398 R HN 0.222 nan 8.270 nan 0.000 0.440 399 H N -0.193 118.565 119.070 -0.520 0.000 2.389 399 H HA -0.042 4.510 4.556 -0.006 0.000 0.299 399 H C 1.772 176.928 175.328 -0.288 0.000 1.081 399 H CA 1.588 57.416 56.048 -0.366 0.000 1.345 399 H CB -0.080 29.430 29.762 -0.420 0.000 1.393 399 H HN 0.103 nan 8.280 nan 0.000 0.520 400 L N 0.525 121.626 121.223 -0.204 0.000 2.046 400 L HA -0.235 4.101 4.340 -0.006 0.000 0.208 400 L C 1.805 178.487 176.870 -0.314 0.000 1.077 400 L CA 1.591 56.243 54.840 -0.313 0.000 0.747 400 L CB -0.267 41.631 42.059 -0.268 0.000 0.896 400 L HN 0.447 nan 8.230 nan 0.000 0.432 401 Q N -0.286 119.442 119.800 -0.120 0.000 2.084 401 Q HA -0.227 4.109 4.340 -0.006 0.000 0.202 401 Q C 2.172 178.195 176.000 0.038 0.000 0.978 401 Q CA 1.591 57.418 55.803 0.040 0.000 0.844 401 Q CB -0.080 28.681 28.738 0.040 0.000 0.898 401 Q HN 0.567 nan 8.270 nan 0.000 0.426 402 I N 0.496 121.061 120.570 -0.008 0.000 2.315 402 I HA -0.259 3.908 4.170 -0.006 0.000 0.248 402 I C 2.162 178.348 176.117 0.114 0.000 1.117 402 I CA 1.006 62.377 61.300 0.119 0.000 1.404 402 I CB -0.161 37.858 38.000 0.032 0.000 1.071 402 I HN 0.201 nan 8.210 nan 0.000 0.419 403 I N -0.434 120.121 120.570 -0.026 0.000 2.315 403 I HA -0.303 3.864 4.170 -0.006 0.000 0.248 403 I C 2.383 178.501 176.117 0.002 0.000 1.117 403 I CA 1.381 62.652 61.300 -0.049 0.000 1.404 403 I CB -0.347 37.552 38.000 -0.168 0.000 1.071 403 I HN 0.159 nan 8.210 nan 0.000 0.419 404 Y N 0.852 121.155 120.300 0.006 0.000 2.200 404 Y HA -0.251 4.295 4.550 -0.006 0.000 0.290 404 Y C 2.595 178.460 175.900 -0.059 0.000 1.137 404 Y CA 1.424 59.514 58.100 -0.017 0.000 1.163 404 Y CB -0.726 37.717 38.460 -0.029 0.000 0.988 404 Y HN 0.169 nan 8.280 nan 0.000 0.518 405 E N 0.468 120.706 120.200 0.064 0.000 2.077 405 E HA -0.149 4.197 4.350 -0.006 0.000 0.193 405 E C 2.043 178.549 176.600 -0.156 0.000 0.989 405 E CA 1.332 57.625 56.400 -0.179 0.000 0.800 405 E CB -0.538 28.894 29.700 -0.447 0.000 0.746 405 E HN 0.476 nan 8.360 nan 0.000 0.452 406 I N 0.574 121.157 120.570 0.021 0.000 2.179 406 I HA -0.277 3.889 4.170 -0.006 0.000 0.242 406 I C 2.279 178.397 176.117 0.002 0.000 1.088 406 I CA 1.388 62.663 61.300 -0.042 0.000 1.357 406 I CB -0.407 37.578 38.000 -0.026 0.000 1.051 406 I HN 0.215 nan 8.210 nan 0.000 0.409 407 N N 0.780 119.529 118.700 0.081 0.000 2.069 407 N HA -0.275 4.461 4.740 -0.006 0.000 0.191 407 N C 1.870 177.465 175.510 0.141 0.000 1.031 407 N CA 1.591 54.741 53.050 0.167 0.000 0.852 407 N CB -0.138 38.462 38.487 0.189 0.000 1.018 407 N HN 0.298 nan 8.380 nan 0.000 0.423 408 Q N -0.034 119.794 119.800 0.047 0.000 2.030 408 Q HA -0.129 4.207 4.340 -0.006 0.000 0.204 408 Q C 2.047 178.027 176.000 -0.033 0.000 0.986 408 Q CA 1.561 57.354 55.803 -0.016 0.000 0.843 408 Q CB -0.012 28.675 28.738 -0.085 0.000 0.904 408 Q HN 0.367 nan 8.270 nan 0.000 0.420 409 R N -0.781 119.674 120.500 -0.074 0.000 2.115 409 R HA -0.119 4.217 4.340 -0.006 0.000 0.230 409 R C 2.121 178.444 176.300 0.038 0.000 1.111 409 R CA 1.264 57.319 56.100 -0.074 0.000 0.976 409 R CB -0.313 29.886 30.300 -0.169 0.000 0.870 409 R HN 0.277 nan 8.270 nan 0.000 0.445 410 F N 1.309 121.230 119.950 -0.048 0.000 2.113 410 F HA -0.074 4.449 4.527 -0.006 0.000 0.297 410 F C 1.767 177.589 175.800 0.036 0.000 1.103 410 F CA 1.304 59.325 58.000 0.034 0.000 1.248 410 F CB -0.193 38.859 39.000 0.086 0.000 0.999 410 F HN -0.121 nan 8.300 nan 0.000 0.475 411 L N -0.020 121.199 121.223 -0.005 0.000 2.201 411 L HA -0.223 4.113 4.340 -0.006 0.000 0.212 411 L C 1.967 178.764 176.870 -0.122 0.000 1.105 411 L CA 1.420 56.195 54.840 -0.109 0.000 0.775 411 L CB -0.879 41.184 42.059 0.007 0.000 0.913 411 L HN 0.258 nan 8.230 nan 0.000 0.440 412 N N -0.160 118.489 118.700 -0.084 0.000 2.188 412 N HA -0.150 4.586 4.740 -0.006 0.000 0.184 412 N C 1.929 177.382 175.510 -0.094 0.000 1.018 412 N CA 0.699 53.704 53.050 -0.076 0.000 0.858 412 N CB 0.039 38.489 38.487 -0.062 0.000 0.989 412 N HN 0.275 nan 8.380 nan 0.000 0.426 413 R N 0.453 120.878 120.500 -0.126 0.000 2.092 413 R HA -0.018 4.319 4.340 -0.006 0.000 0.231 413 R C 2.154 178.351 176.300 -0.172 0.000 1.119 413 R CA 0.713 56.735 56.100 -0.130 0.000 0.970 413 R CB -0.159 30.076 30.300 -0.108 0.000 0.864 413 R HN 0.059 nan 8.270 nan 0.000 0.440 414 V N 0.807 120.562 119.914 -0.264 0.000 2.307 414 V HA -0.225 3.891 4.120 -0.006 0.000 0.245 414 V C 2.380 178.462 176.094 -0.019 0.000 1.045 414 V CA 1.962 64.170 62.300 -0.154 0.000 1.024 414 V CB -0.686 30.978 31.823 -0.265 0.000 0.651 414 V HN 0.406 nan 8.190 nan 0.000 0.449 415 A N 0.020 122.804 122.820 -0.060 0.000 1.940 415 A HA -0.130 4.187 4.320 -0.006 0.000 0.219 415 A C 2.356 179.916 177.584 -0.039 0.000 1.176 415 A CA 2.133 54.153 52.037 -0.028 0.000 0.631 415 A CB -0.664 18.311 19.000 -0.042 0.000 0.814 415 A HN 0.587 nan 8.150 nan 0.000 0.446 416 A N -0.763 122.014 122.820 -0.072 0.000 2.016 416 A HA 0.352 4.668 4.320 -0.006 0.000 0.217 416 A C 2.312 179.807 177.584 -0.147 0.000 1.162 416 A CA 1.577 53.560 52.037 -0.089 0.000 0.662 416 A CB -0.574 18.378 19.000 -0.080 0.000 0.812 416 A HN 0.945 nan 8.150 nan 0.000 0.450 417 A N -1.715 120.975 122.820 -0.216 0.000 2.030 417 A HA 0.419 4.735 4.320 -0.006 0.000 0.215 417 A C 0.410 177.540 177.584 -0.758 0.000 1.164 417 A CA 0.472 52.214 52.037 -0.493 0.000 0.697 417 A CB -0.095 18.548 19.000 -0.596 0.000 0.827 417 A HN 0.404 nan 8.150 nan 0.000 0.457 418 F N -0.144 119.758 119.950 -0.080 0.000 2.584 418 F HA 0.337 4.860 4.527 -0.007 0.000 0.328 418 F C -2.789 172.973 175.800 -0.063 0.000 1.407 418 F CA -2.834 55.124 58.000 -0.070 0.000 1.145 418 F CB 0.661 39.611 39.000 -0.084 0.000 1.440 418 F HN -0.076 nan 8.300 nan 0.000 0.580 419 P HA 0.140 nan 4.420 nan 0.000 0.261 419 P C 1.029 178.348 177.300 0.032 0.000 1.183 419 P CA 1.332 64.442 63.100 0.017 0.000 0.761 419 P CB 0.698 32.390 31.700 -0.013 0.000 0.785 420 G N 2.772 111.583 108.800 0.019 0.000 2.234 420 G HA2 -0.253 3.703 3.960 -0.006 0.000 0.260 420 G HA3 -0.253 3.703 3.960 -0.006 0.000 0.260 420 G C 0.409 175.317 174.900 0.014 0.000 0.987 420 G CA 0.062 45.169 45.100 0.013 0.000 0.625 420 G HN 0.601 nan 8.290 nan 0.000 0.532 421 D N 1.582 122.000 120.400 0.029 0.000 2.551 421 D HA 0.358 4.994 4.640 -0.006 0.000 0.223 421 D C 2.151 178.440 176.300 -0.018 0.000 1.144 421 D CA 0.448 54.449 54.000 0.003 0.000 1.025 421 D CB 0.310 41.111 40.800 0.001 0.000 1.085 421 D HN 0.630 nan 8.370 nan 0.000 0.506 422 V N 0.638 120.543 119.914 -0.015 0.000 2.490 422 V HA -0.165 3.952 4.120 -0.006 0.000 0.250 422 V C 1.773 177.854 176.094 -0.022 0.000 1.061 422 V CA 1.633 63.924 62.300 -0.016 0.000 1.064 422 V CB -0.427 31.390 31.823 -0.010 0.000 0.670 422 V HN 0.209 nan 8.190 nan 0.000 0.461 423 D N 0.386 120.769 120.400 -0.029 0.000 2.183 423 D HA -0.151 4.485 4.640 -0.006 0.000 0.203 423 D C 2.328 178.599 176.300 -0.049 0.000 0.969 423 D CA 1.243 55.226 54.000 -0.028 0.000 0.842 423 D CB -0.218 40.565 40.800 -0.027 0.000 0.957 423 D HN 0.460 nan 8.370 nan 0.000 0.484 424 R N -0.115 120.332 120.500 -0.089 0.000 2.096 424 R HA -0.075 4.261 4.340 -0.006 0.000 0.235 424 R C 2.234 178.464 176.300 -0.117 0.000 1.127 424 R CA 0.845 56.855 56.100 -0.151 0.000 0.968 424 R CB -0.236 29.912 30.300 -0.255 0.000 0.861 424 R HN 0.254 nan 8.270 nan 0.000 0.440 425 L N 0.689 121.868 121.223 -0.074 0.000 2.012 425 L HA -0.207 4.129 4.340 -0.006 0.000 0.210 425 L C 2.668 179.540 176.870 0.002 0.000 1.073 425 L CA 1.855 56.669 54.840 -0.043 0.000 0.748 425 L CB -0.485 41.558 42.059 -0.025 0.000 0.891 425 L HN 0.281 nan 8.230 nan 0.000 0.431 426 R N 0.114 120.621 120.500 0.012 0.000 2.115 426 R HA -0.086 4.250 4.340 -0.006 0.000 0.226 426 R C 2.107 178.456 176.300 0.081 0.000 1.100 426 R CA 0.966 57.095 56.100 0.049 0.000 0.980 426 R CB -0.547 29.775 30.300 0.038 0.000 0.875 426 R HN 0.200 nan 8.270 nan 0.000 0.445 427 R N 0.116 120.646 120.500 0.050 0.000 2.115 427 R HA 0.138 4.474 4.340 -0.006 0.000 0.226 427 R C 1.964 178.343 176.300 0.133 0.000 1.100 427 R CA 1.661 57.815 56.100 0.090 0.000 0.980 427 R CB -0.177 30.137 30.300 0.024 0.000 0.875 427 R HN 0.323 nan 8.270 nan 0.000 0.445 428 M N 0.181 119.784 119.600 0.004 0.000 2.509 428 M HA 0.051 4.527 4.480 -0.006 0.000 0.250 428 M C 0.870 177.321 176.300 0.252 0.000 1.132 428 M CA -0.005 55.252 55.300 -0.073 0.000 1.080 428 M CB 0.457 32.852 32.600 -0.342 0.000 1.408 428 M HN -0.084 nan 8.290 nan 0.000 0.484 429 S N 1.051 116.908 115.700 0.261 0.000 2.563 429 S HA 0.059 4.525 4.470 -0.006 0.000 0.284 429 S C 1.127 175.982 174.600 0.424 0.000 1.331 429 S CA -0.230 58.154 58.200 0.306 0.000 1.047 429 S CB 0.593 63.915 63.200 0.205 0.000 0.859 429 S HN 0.376 nan 8.310 nan 0.000 0.514 430 L N 3.852 125.277 121.223 0.336 0.000 2.313 430 L HA 0.118 4.454 4.340 -0.006 0.000 0.214 430 L C 0.294 177.267 176.870 0.173 0.000 1.119 430 L CA 0.283 55.280 54.840 0.261 0.000 0.809 430 L CB -0.371 41.783 42.059 0.158 0.000 0.933 430 L HN 0.402 nan 8.230 nan 0.000 0.449 431 V N 0.993 121.022 119.914 0.191 0.000 2.383 431 V HA 0.159 4.275 4.120 -0.006 0.000 0.275 431 V C 0.094 176.272 176.094 0.140 0.000 1.036 431 V CA -0.537 61.862 62.300 0.165 0.000 0.889 431 V CB 1.288 33.243 31.823 0.220 0.000 0.985 431 V HN 0.182 nan 8.190 nan 0.000 0.459 432 E N 3.248 123.509 120.200 0.101 0.000 2.197 432 E HA 0.429 4.775 4.350 -0.006 0.000 0.281 432 E C -0.673 175.975 176.600 0.079 0.000 0.995 432 E CA -0.577 55.874 56.400 0.084 0.000 0.808 432 E CB 1.977 31.706 29.700 0.047 0.000 1.093 432 E HN 0.604 nan 8.360 nan 0.000 0.394 433 E N 0.782 121.027 120.200 0.074 0.000 2.280 433 E HA 0.664 5.010 4.350 -0.006 0.000 0.261 433 E C 0.123 176.757 176.600 0.056 0.000 1.088 433 E CA 0.247 56.685 56.400 0.065 0.000 0.915 433 E CB 1.511 31.244 29.700 0.056 0.000 1.141 433 E HN 0.642 nan 8.360 nan 0.000 0.433 434 G N -0.402 108.429 108.800 0.053 0.000 2.302 434 G HA2 0.229 4.185 3.960 -0.006 0.000 0.264 434 G HA3 0.229 4.185 3.960 -0.006 0.000 0.264 434 G C 0.479 175.410 174.900 0.051 0.000 1.335 434 G CA 0.293 45.422 45.100 0.047 0.000 0.982 434 G HN 0.625 nan 8.290 nan 0.000 0.473 435 A N -0.900 121.950 122.820 0.049 0.000 1.870 435 A HA 0.257 4.573 4.320 -0.006 0.000 0.219 435 A C 1.713 179.339 177.584 0.070 0.000 1.224 435 A CA 4.248 56.317 52.037 0.052 0.000 0.650 435 A CB -1.269 17.760 19.000 0.049 0.000 0.836 435 A HN 2.391 nan 8.150 nan 0.000 0.454 436 V N -3.543 116.420 119.914 0.082 0.000 2.540 436 V HA 0.556 4.672 4.120 -0.006 0.000 0.302 436 V C -0.575 175.578 176.094 0.100 0.000 1.035 436 V CA -1.433 60.936 62.300 0.114 0.000 0.873 436 V CB 1.599 33.513 31.823 0.152 0.000 0.992 436 V HN 0.323 nan 8.190 nan 0.000 0.428 437 K N 3.930 124.396 120.400 0.110 0.000 2.326 437 K HA 0.512 4.828 4.320 -0.006 0.000 0.275 437 K C -0.395 176.256 176.600 0.084 0.000 1.018 437 K CA -0.195 56.152 56.287 0.101 0.000 0.962 437 K CB 0.928 33.503 32.500 0.125 0.000 0.953 437 K HN 0.738 nan 8.250 nan 0.000 0.475 438 R N 1.457 121.999 120.500 0.069 0.000 2.837 438 R HA 0.489 4.826 4.340 -0.006 0.000 0.271 438 R C -0.654 175.671 176.300 0.041 0.000 0.993 438 R CA -1.029 55.099 56.100 0.047 0.000 0.931 438 R CB 1.319 31.631 30.300 0.019 0.000 1.206 438 R HN 0.363 nan 8.270 nan 0.000 0.474 439 I N 1.893 122.483 120.570 0.032 0.000 2.339 439 I HA 0.171 4.337 4.170 -0.006 0.000 0.290 439 I C -0.250 175.842 176.117 -0.043 0.000 0.994 439 I CA -0.768 60.539 61.300 0.012 0.000 1.191 439 I CB 1.253 39.260 38.000 0.010 0.000 1.343 439 I HN 0.511 nan 8.210 nan 0.000 0.458 440 N N 7.078 125.723 118.700 -0.093 0.000 2.402 440 N HA 0.094 4.830 4.740 -0.006 0.000 0.252 440 N C 0.822 176.222 175.510 -0.184 0.000 1.118 440 N CA -0.328 52.584 53.050 -0.231 0.000 0.945 440 N CB 0.983 39.174 38.487 -0.493 0.000 1.147 440 N HN 0.375 nan 8.380 nan 0.000 0.495 441 M N 2.470 121.969 119.600 -0.169 0.000 2.296 441 M HA -0.060 4.416 4.480 -0.006 0.000 0.265 441 M C 1.911 178.069 176.300 -0.236 0.000 1.064 441 M CA 0.710 55.929 55.300 -0.135 0.000 1.109 441 M CB -1.534 31.031 32.600 -0.057 0.000 1.396 441 M HN 0.608 nan 8.290 nan 0.000 0.430 442 A N -0.538 122.139 122.820 -0.240 0.000 1.930 442 A HA -0.162 4.154 4.320 -0.006 0.000 0.217 442 A C 1.978 179.336 177.584 -0.377 0.000 1.175 442 A CA 1.391 53.252 52.037 -0.293 0.000 0.627 442 A CB -1.098 17.932 19.000 0.050 0.000 0.815 442 A HN 0.596 nan 8.150 nan 0.000 0.443 443 H N -1.058 117.794 119.070 -0.364 0.000 2.389 443 H HA -0.011 4.541 4.556 -0.006 0.000 0.299 443 H C 2.104 177.202 175.328 -0.383 0.000 1.081 443 H CA 0.914 56.704 56.048 -0.430 0.000 1.345 443 H CB -0.034 29.698 29.762 -0.050 0.000 1.393 443 H HN 0.374 nan 8.280 nan 0.000 0.520 444 L N 0.345 121.479 121.223 -0.147 0.000 2.046 444 L HA -0.216 4.120 4.340 -0.006 0.000 0.208 444 L C 2.196 178.925 176.870 -0.234 0.000 1.077 444 L CA 1.201 55.954 54.840 -0.145 0.000 0.747 444 L CB -0.347 41.654 42.059 -0.096 0.000 0.896 444 L HN 0.440 nan 8.230 nan 0.000 0.432 445 C N -0.003 119.056 119.300 -0.402 0.000 2.429 445 C HA -0.154 4.302 4.460 -0.006 0.000 0.277 445 C C 2.658 177.379 174.990 -0.448 0.000 1.262 445 C CA 0.543 59.240 59.018 -0.534 0.000 1.733 445 C CB -0.701 26.341 27.740 -1.163 0.000 2.010 445 C HN 0.508 nan 8.230 nan 0.000 0.483 446 I N 1.366 121.622 120.570 -0.525 0.000 2.252 446 I HA -0.179 3.987 4.170 -0.006 0.000 0.245 446 I C 2.762 178.714 176.117 -0.275 0.000 1.102 446 I CA 1.594 62.632 61.300 -0.438 0.000 1.385 446 I CB -0.587 36.994 38.000 -0.698 0.000 1.064 446 I HN 0.256 nan 8.210 nan 0.000 0.414 447 A N 0.656 123.282 122.820 -0.323 0.000 1.933 447 A HA -0.101 4.215 4.320 -0.006 0.000 0.218 447 A C 2.210 179.819 177.584 0.042 0.000 1.175 447 A CA 1.891 53.771 52.037 -0.261 0.000 0.628 447 A CB -1.152 17.477 19.000 -0.618 0.000 0.814 447 A HN 0.479 nan 8.150 nan 0.000 0.444 448 G N -1.157 107.616 108.800 -0.044 0.000 3.284 448 G HA2 0.415 4.371 3.960 -0.006 0.000 0.236 448 G HA3 0.415 4.371 3.960 -0.006 0.000 0.236 448 G C 0.098 174.831 174.900 -0.280 0.000 1.158 448 G CA 0.465 45.424 45.100 -0.235 0.000 0.774 448 G HN 0.343 nan 8.290 nan 0.000 0.545 449 S N -0.346 115.244 115.700 -0.184 0.000 2.536 449 S HA 0.329 4.795 4.470 -0.006 0.000 0.298 449 S C 0.724 175.263 174.600 -0.101 0.000 1.083 449 S CA -0.713 57.405 58.200 -0.136 0.000 0.995 449 S CB 1.265 64.391 63.200 -0.124 0.000 1.058 449 S HN 0.509 nan 8.310 nan 0.000 0.488 450 H N -0.126 118.899 119.070 -0.075 0.000 2.548 450 H HA 0.515 5.067 4.556 -0.007 0.000 0.265 450 H C 0.098 175.401 175.328 -0.042 0.000 0.969 450 H CA 0.208 56.235 56.048 -0.034 0.000 1.155 450 H CB 0.158 29.919 29.762 -0.002 0.000 1.394 450 H HN 0.504 nan 8.280 nan 0.000 0.570 451 A N 0.950 123.463 122.820 -0.512 0.000 2.488 451 A HA 0.558 4.874 4.320 -0.006 0.000 0.298 451 A C -1.455 175.925 177.584 -0.339 0.000 1.044 451 A CA -0.570 51.219 52.037 -0.413 0.000 0.693 451 A CB 2.225 20.943 19.000 -0.470 0.000 1.272 451 A HN 0.096 nan 8.150 nan 0.000 0.402 452 V N 4.176 123.859 119.914 -0.385 0.000 2.577 452 V HA 0.544 4.660 4.120 -0.006 0.000 0.303 452 V C -0.819 175.094 176.094 -0.302 0.000 1.042 452 V CA -0.761 61.312 62.300 -0.380 0.000 0.872 452 V CB 1.812 33.255 31.823 -0.633 0.000 0.998 452 V HN 1.027 nan 8.190 nan 0.000 0.423 453 N N 3.104 121.647 118.700 -0.263 0.000 2.262 453 N HA 0.623 5.360 4.740 -0.006 0.000 0.295 453 N C -0.279 175.133 175.510 -0.164 0.000 1.161 453 N CA -0.375 52.562 53.050 -0.188 0.000 0.767 453 N CB 2.868 41.218 38.487 -0.228 0.000 1.499 453 N HN 0.633 nan 8.380 nan 0.000 0.476 454 G N -0.848 107.890 108.800 -0.103 0.000 2.531 454 G HA2 0.429 4.386 3.960 -0.006 0.000 0.313 454 G HA3 0.429 4.386 3.960 -0.006 0.000 0.313 454 G C 0.710 175.676 174.900 0.109 0.000 1.238 454 G CA -0.519 44.563 45.100 -0.030 0.000 0.994 454 G HN 0.633 nan 8.290 nan 0.000 0.493 455 V N -3.558 116.546 119.914 0.318 0.000 3.319 455 V HA 0.695 4.811 4.120 -0.006 0.000 0.317 455 V C 0.531 176.712 176.094 0.146 0.000 1.411 455 V CA 0.277 62.676 62.300 0.164 0.000 1.112 455 V CB -0.812 31.075 31.823 0.107 0.000 1.031 455 V HN 1.340 nan 8.190 nan 0.000 0.448 456 A N -0.064 122.849 122.820 0.154 0.000 2.594 456 A HA 0.628 4.944 4.320 -0.006 0.000 0.296 456 A C 0.680 178.314 177.584 0.083 0.000 1.056 456 A CA -0.108 51.996 52.037 0.112 0.000 0.693 456 A CB 1.198 20.254 19.000 0.093 0.000 1.278 456 A HN 0.046 nan 8.150 nan 0.000 0.408 457 R N 1.010 121.539 120.500 0.047 0.000 2.112 457 R HA -0.174 4.162 4.340 -0.006 0.000 0.242 457 R C 1.656 177.955 176.300 -0.002 0.000 1.137 457 R CA 2.356 58.461 56.100 0.009 0.000 0.944 457 R CB -0.239 30.061 30.300 0.001 0.000 0.857 457 R HN 0.827 nan 8.270 nan 0.000 0.435 458 I N 0.216 120.793 120.570 0.012 0.000 2.286 458 I HA -0.286 3.880 4.170 -0.006 0.000 0.248 458 I C 2.316 178.442 176.117 0.016 0.000 1.115 458 I CA 1.812 63.112 61.300 -0.000 0.000 1.392 458 I CB -0.219 37.780 38.000 -0.002 0.000 1.065 458 I HN 0.359 nan 8.210 nan 0.000 0.418 459 H N 0.275 119.313 119.070 -0.052 0.000 2.326 459 H HA -0.101 4.451 4.556 -0.007 0.000 0.301 459 H C 2.261 177.548 175.328 -0.068 0.000 1.081 459 H CA 2.145 58.155 56.048 -0.063 0.000 1.334 459 H CB -0.243 29.488 29.762 -0.051 0.000 1.385 459 H HN 0.225 nan 8.280 nan 0.000 0.504 460 S N 0.348 115.931 115.700 -0.195 0.000 2.399 460 S HA -0.114 4.352 4.470 -0.006 0.000 0.231 460 S C 1.866 176.342 174.600 -0.207 0.000 1.022 460 S CA 1.152 59.212 58.200 -0.234 0.000 0.983 460 S CB -0.049 63.086 63.200 -0.107 0.000 0.803 460 S HN 0.477 nan 8.310 nan 0.000 0.480 461 E N 1.201 121.304 120.200 -0.163 0.000 2.072 461 E HA 0.031 4.377 4.350 -0.006 0.000 0.190 461 E C 2.009 178.493 176.600 -0.194 0.000 0.982 461 E CA 0.593 56.888 56.400 -0.175 0.000 0.803 461 E CB -0.337 29.292 29.700 -0.117 0.000 0.755 461 E HN 0.502 nan 8.360 nan 0.000 0.453 462 I N 0.985 121.454 120.570 -0.168 0.000 2.286 462 I HA -0.264 3.902 4.170 -0.006 0.000 0.248 462 I C 2.361 178.346 176.117 -0.220 0.000 1.115 462 I CA 0.770 61.974 61.300 -0.159 0.000 1.392 462 I CB -0.223 37.715 38.000 -0.104 0.000 1.065 462 I HN 0.063 nan 8.210 nan 0.000 0.418 463 L N 0.392 121.440 121.223 -0.292 0.000 2.083 463 L HA -0.219 4.117 4.340 -0.006 0.000 0.209 463 L C 2.445 179.183 176.870 -0.220 0.000 1.083 463 L CA 1.529 56.192 54.840 -0.295 0.000 0.752 463 L CB -0.527 41.412 42.059 -0.199 0.000 0.899 463 L HN 0.215 nan 8.230 nan 0.000 0.433 464 K N -0.011 120.194 120.400 -0.325 0.000 2.228 464 K HA -0.075 4.241 4.320 -0.006 0.000 0.202 464 K C 1.969 178.378 176.600 -0.319 0.000 1.051 464 K CA 0.794 56.764 56.287 -0.528 0.000 0.960 464 K CB 0.103 32.038 32.500 -0.941 0.000 0.743 464 K HN 0.298 nan 8.250 nan 0.000 0.458 465 K N 0.142 120.407 120.400 -0.225 0.000 2.262 465 K HA -0.018 4.298 4.320 -0.006 0.000 0.200 465 K C 1.873 178.422 176.600 -0.085 0.000 1.049 465 K CA 1.356 57.565 56.287 -0.130 0.000 0.979 465 K CB 0.398 32.830 32.500 -0.113 0.000 0.773 465 K HN 0.242 nan 8.250 nan 0.000 0.474 466 T N -1.041 113.451 114.554 -0.102 0.000 2.995 466 T HA 0.066 4.412 4.350 -0.006 0.000 0.170 466 T C 1.938 176.607 174.700 -0.052 0.000 0.844 466 T CA -0.016 62.040 62.100 -0.073 0.000 1.137 466 T CB -0.788 68.028 68.868 -0.085 0.000 2.193 466 T HN 0.110 nan 8.240 nan 0.000 0.384 467 I N -0.762 119.726 120.570 -0.136 0.000 2.315 467 I HA 0.074 4.240 4.170 -0.006 0.000 0.251 467 I C 1.544 177.721 176.117 0.101 0.000 1.125 467 I CA 1.639 62.856 61.300 -0.138 0.000 1.392 467 I CB -0.676 37.076 38.000 -0.413 0.000 1.065 467 I HN 0.292 nan 8.210 nan 0.000 0.424 468 F N 0.694 120.714 119.950 0.116 0.000 2.698 468 F HA 0.300 4.823 4.527 -0.007 0.000 0.304 468 F C 2.051 177.935 175.800 0.140 0.000 1.108 468 F CA -0.663 57.476 58.000 0.232 0.000 1.263 468 F CB 0.179 39.309 39.000 0.216 0.000 1.013 468 F HN -0.068 nan 8.300 nan 0.000 0.532 469 K N 1.132 121.652 120.400 0.199 0.000 2.044 469 K HA -0.226 4.090 4.320 -0.006 0.000 0.210 469 K C 1.322 177.977 176.600 0.092 0.000 1.049 469 K CA 2.245 58.588 56.287 0.093 0.000 0.927 469 K CB -0.029 32.493 32.500 0.035 0.000 0.713 469 K HN 0.161 nan 8.250 nan 0.000 0.443 470 D N -0.162 120.266 120.400 0.047 0.000 2.117 470 D HA -0.163 4.474 4.640 -0.006 0.000 0.197 470 D C 1.839 178.044 176.300 -0.159 0.000 0.987 470 D CA 1.249 55.148 54.000 -0.169 0.000 0.829 470 D CB -0.305 40.292 40.800 -0.338 0.000 0.961 470 D HN 0.247 nan 8.370 nan 0.000 0.460 471 F N -0.049 119.974 119.950 0.121 0.000 2.146 471 F HA -0.151 4.372 4.527 -0.006 0.000 0.298 471 F C 2.361 178.317 175.800 0.259 0.000 1.096 471 F CA 0.542 58.692 58.000 0.250 0.000 1.275 471 F CB -0.697 38.511 39.000 0.348 0.000 1.008 471 F HN -0.037 nan 8.300 nan 0.000 0.480 472 Y N 1.489 121.776 120.300 -0.021 0.000 2.181 472 Y HA -0.208 4.338 4.550 -0.006 0.000 0.288 472 Y C 2.106 178.007 175.900 0.002 0.000 1.146 472 Y CA 1.649 59.559 58.100 -0.316 0.000 1.164 472 Y CB -0.657 37.427 38.460 -0.626 0.000 0.982 472 Y HN 0.161 nan 8.280 nan 0.000 0.515 473 E N -0.474 119.680 120.200 -0.076 0.000 2.150 473 E HA -0.189 4.157 4.350 -0.006 0.000 0.193 473 E C 2.004 178.665 176.600 0.102 0.000 0.985 473 E CA 1.207 57.569 56.400 -0.063 0.000 0.814 473 E CB -0.286 29.421 29.700 0.010 0.000 0.752 473 E HN 0.431 nan 8.360 nan 0.000 0.466 474 L N 1.005 122.331 121.223 0.173 0.000 2.095 474 L HA -0.034 4.302 4.340 -0.006 0.000 0.204 474 L C 0.264 177.239 176.870 0.176 0.000 1.080 474 L CA 1.658 56.636 54.840 0.230 0.000 0.759 474 L CB 0.364 42.552 42.059 0.216 0.000 0.914 474 L HN -0.106 nan 8.230 nan 0.000 0.439 475 E N 0.145 120.454 120.200 0.181 0.000 3.132 475 E HA 0.187 4.533 4.350 -0.006 0.000 0.241 475 E C -2.015 174.583 176.600 -0.003 0.000 1.196 475 E CA -1.263 55.181 56.400 0.074 0.000 0.869 475 E CB 0.821 30.536 29.700 0.026 0.000 1.387 475 E HN 0.196 nan 8.360 nan 0.000 0.393 476 P HA -0.254 nan 4.420 nan 0.000 0.218 476 P C 1.215 178.645 177.300 0.216 0.000 1.148 476 P CA 1.435 64.500 63.100 -0.059 0.000 0.822 476 P CB -0.019 31.508 31.700 -0.289 0.000 0.784 477 H N 0.434 119.613 119.070 0.182 0.000 2.456 477 H HA 0.025 4.577 4.556 -0.007 0.000 0.296 477 H C 1.511 176.930 175.328 0.152 0.000 1.079 477 H CA 0.921 57.062 56.048 0.155 0.000 1.322 477 H CB -0.854 28.969 29.762 0.102 0.000 1.388 477 H HN 0.174 nan 8.280 nan 0.000 0.538 478 K N 0.310 120.560 120.400 -0.249 0.000 2.217 478 K HA 0.020 4.336 4.320 -0.006 0.000 0.202 478 K C -0.036 176.400 176.600 -0.274 0.000 1.051 478 K CA 0.295 56.427 56.287 -0.258 0.000 0.952 478 K CB 0.026 32.256 32.500 -0.450 0.000 0.736 478 K HN 0.107 nan 8.250 nan 0.000 0.453 479 F N 1.901 121.874 119.950 0.038 0.000 2.438 479 F HA 0.132 4.655 4.527 -0.007 0.000 0.356 479 F C 0.573 176.373 175.800 0.001 0.000 1.099 479 F CA 0.017 58.043 58.000 0.044 0.000 1.185 479 F CB 0.764 39.843 39.000 0.131 0.000 1.115 479 F HN -0.069 nan 8.300 nan 0.000 0.526 480 Q N 1.743 121.570 119.800 0.045 0.000 2.605 480 Q HA 0.370 4.706 4.340 -0.006 0.000 0.296 480 Q C -1.202 174.757 176.000 -0.069 0.000 1.056 480 Q CA -1.282 54.503 55.803 -0.030 0.000 0.778 480 Q CB 3.080 31.746 28.738 -0.120 0.000 1.497 480 Q HN 0.636 nan 8.270 nan 0.000 0.443 481 N N 0.554 119.194 118.700 -0.100 0.000 2.238 481 N HA 0.299 5.036 4.740 -0.006 0.000 0.302 481 N C -1.542 173.870 175.510 -0.163 0.000 1.072 481 N CA -0.410 52.579 53.050 -0.101 0.000 0.792 481 N CB 1.162 39.613 38.487 -0.061 0.000 1.425 481 N HN 0.280 nan 8.380 nan 0.000 0.478 482 K N 2.664 122.973 120.400 -0.152 0.000 2.756 482 K HA 0.179 4.495 4.320 -0.006 0.000 0.218 482 K C -1.015 175.595 176.600 0.016 0.000 1.057 482 K CA -0.466 55.704 56.287 -0.195 0.000 1.056 482 K CB 1.160 33.320 32.500 -0.567 0.000 1.235 482 K HN 0.556 nan 8.250 nan 0.000 0.547 483 T N 1.999 116.579 114.554 0.043 0.000 2.908 483 T HA 0.050 4.396 4.350 -0.006 0.000 0.301 483 T C 0.822 175.651 174.700 0.214 0.000 1.019 483 T CA 0.396 62.572 62.100 0.128 0.000 1.152 483 T CB 0.291 69.234 68.868 0.124 0.000 0.966 483 T HN 0.350 nan 8.240 nan 0.000 0.540 484 N N 0.572 119.423 118.700 0.251 0.000 2.267 484 N HA 0.405 5.141 4.740 -0.006 0.000 0.226 484 N C 0.478 176.178 175.510 0.317 0.000 1.314 484 N CA -0.146 53.088 53.050 0.307 0.000 0.887 484 N CB 0.373 38.981 38.487 0.203 0.000 1.120 484 N HN 0.765 nan 8.380 nan 0.000 0.440 485 G N -0.717 108.278 108.800 0.325 0.000 2.649 485 G HA2 0.584 4.540 3.960 -0.006 0.000 0.290 485 G HA3 0.584 4.540 3.960 -0.006 0.000 0.290 485 G C -1.445 173.594 174.900 0.231 0.000 1.426 485 G CA -0.737 44.539 45.100 0.294 0.000 0.794 485 G HN 0.596 nan 8.290 nan 0.000 0.483 486 I N -2.309 118.381 120.570 0.200 0.000 2.828 486 I HA 0.759 4.925 4.170 -0.006 0.000 0.302 486 I C -0.265 176.011 176.117 0.266 0.000 1.101 486 I CA -0.951 60.461 61.300 0.186 0.000 1.031 486 I CB 2.441 40.443 38.000 0.004 0.000 1.231 486 I HN 0.512 nan 8.210 nan 0.000 0.427 487 T N 4.221 118.984 114.554 0.349 0.000 2.794 487 T HA 0.350 4.696 4.350 -0.006 0.000 0.296 487 T C -1.365 173.451 174.700 0.193 0.000 0.949 487 T CA -1.620 60.608 62.100 0.213 0.000 1.101 487 T CB 0.756 69.697 68.868 0.121 0.000 0.905 487 T HN 0.646 nan 8.240 nan 0.000 0.516 488 P HA 0.034 nan 4.420 nan 0.000 0.237 488 P C 1.031 178.300 177.300 -0.051 0.000 1.178 488 P CA 0.302 63.440 63.100 0.064 0.000 0.766 488 P CB 0.381 32.107 31.700 0.043 0.000 0.876 489 R N 0.498 120.922 120.500 -0.127 0.000 2.056 489 R HA 0.026 4.362 4.340 -0.006 0.000 0.227 489 R C 2.715 178.895 176.300 -0.202 0.000 1.149 489 R CA 1.504 57.486 56.100 -0.197 0.000 0.937 489 R CB -1.202 28.985 30.300 -0.187 0.000 0.835 489 R HN 0.042 nan 8.270 nan 0.000 0.430 490 R N -0.783 119.537 120.500 -0.301 0.000 2.092 490 R HA -0.106 4.230 4.340 -0.006 0.000 0.231 490 R C 0.913 176.831 176.300 -0.636 0.000 1.119 490 R CA 1.492 57.256 56.100 -0.560 0.000 0.970 490 R CB -0.141 29.645 30.300 -0.857 0.000 0.864 490 R HN 0.285 nan 8.270 nan 0.000 0.440 491 W N 0.027 121.283 121.300 -0.073 0.000 3.438 491 W HA 0.161 4.817 4.660 -0.007 0.000 0.322 491 W C 0.823 177.311 176.519 -0.051 0.000 1.261 491 W CA -0.670 56.631 57.345 -0.074 0.000 1.788 491 W CB 0.399 29.819 29.460 -0.068 0.000 1.065 491 W HN 0.230 nan 8.180 nan 0.000 0.715 492 L N -2.528 118.742 121.223 0.077 0.000 2.208 492 L HA 0.157 4.493 4.340 -0.006 0.000 0.133 492 L C 1.711 178.598 176.870 0.028 0.000 1.385 492 L CA 0.681 55.569 54.840 0.080 0.000 1.030 492 L CB -0.843 41.291 42.059 0.126 0.000 2.075 492 L HN -0.264 nan 8.230 nan 0.000 0.482 493 V N 1.306 121.216 119.914 -0.007 0.000 2.287 493 V HA -0.282 3.834 4.120 -0.006 0.000 0.248 493 V C 2.432 178.499 176.094 -0.044 0.000 1.053 493 V CA 2.574 64.861 62.300 -0.023 0.000 1.027 493 V CB -0.680 31.101 31.823 -0.070 0.000 0.646 493 V HN 0.517 nan 8.190 nan 0.000 0.447 494 L N 0.435 121.601 121.223 -0.096 0.000 2.023 494 L HA -0.184 4.152 4.340 -0.006 0.000 0.205 494 L C 2.499 179.303 176.870 -0.110 0.000 1.073 494 L CA 2.386 57.153 54.840 -0.121 0.000 0.745 494 L CB -0.263 41.674 42.059 -0.203 0.000 0.900 494 L HN 0.665 nan 8.230 nan 0.000 0.435 495 C N -1.739 117.487 119.300 -0.123 0.000 2.563 495 C HA 0.187 4.643 4.460 -0.006 0.000 0.268 495 C C 1.197 176.169 174.990 -0.031 0.000 1.365 495 C CA -0.277 58.688 59.018 -0.087 0.000 1.754 495 C CB -1.023 26.663 27.740 -0.090 0.000 1.932 495 C HN 0.591 nan 8.230 nan 0.000 0.536 496 N N 1.181 119.875 118.700 -0.011 0.000 2.733 496 N HA 0.276 5.012 4.740 -0.006 0.000 0.271 496 N C -1.666 173.856 175.510 0.019 0.000 1.720 496 N CA -1.625 51.431 53.050 0.010 0.000 0.803 496 N CB 0.755 39.257 38.487 0.025 0.000 1.208 496 N HN 0.255 nan 8.380 nan 0.000 0.498 497 P HA -0.070 nan 4.420 nan 0.000 0.216 497 P C 1.400 178.716 177.300 0.027 0.000 1.150 497 P CA 0.996 64.108 63.100 0.019 0.000 0.837 497 P CB 0.223 31.927 31.700 0.006 0.000 0.786 498 G N 0.567 109.378 108.800 0.018 0.000 2.440 498 G HA2 -0.250 3.706 3.960 -0.006 0.000 0.218 498 G HA3 -0.250 3.706 3.960 -0.006 0.000 0.218 498 G C 1.544 176.454 174.900 0.016 0.000 1.154 498 G CA 0.722 45.830 45.100 0.013 0.000 0.767 498 G HN 0.263 nan 8.290 nan 0.000 0.552 499 L N 1.135 122.370 121.223 0.020 0.000 2.072 499 L HA 0.320 4.656 4.340 -0.006 0.000 0.205 499 L C 3.036 179.939 176.870 0.056 0.000 1.079 499 L CA 1.920 56.772 54.840 0.019 0.000 0.752 499 L CB -0.686 41.383 42.059 0.018 0.000 0.906 499 L HN 0.215 nan 8.230 nan 0.000 0.436 500 A N -0.755 122.120 122.820 0.091 0.000 1.940 500 A HA -0.242 4.074 4.320 -0.006 0.000 0.219 500 A C 2.228 179.916 177.584 0.174 0.000 1.176 500 A CA 1.788 53.934 52.037 0.182 0.000 0.631 500 A CB -0.626 18.474 19.000 0.167 0.000 0.814 500 A HN 0.533 nan 8.150 nan 0.000 0.446 501 E N 0.711 120.972 120.200 0.100 0.000 2.028 501 E HA -0.155 4.191 4.350 -0.006 0.000 0.191 501 E C 1.874 178.516 176.600 0.071 0.000 0.988 501 E CA 1.582 58.030 56.400 0.080 0.000 0.799 501 E CB -0.514 29.213 29.700 0.046 0.000 0.755 501 E HN 0.731 nan 8.360 nan 0.000 0.447 502 I N -1.651 118.955 120.570 0.061 0.000 2.454 502 I HA -0.152 4.014 4.170 -0.006 0.000 0.254 502 I C 2.114 178.304 176.117 0.121 0.000 1.156 502 I CA 1.122 62.471 61.300 0.081 0.000 1.433 502 I CB -0.357 37.677 38.000 0.058 0.000 1.082 502 I HN 0.026 nan 8.210 nan 0.000 0.432 503 I N 1.936 122.556 120.570 0.084 0.000 2.233 503 I HA -0.159 4.007 4.170 -0.006 0.000 0.243 503 I C 3.027 179.109 176.117 -0.057 0.000 1.093 503 I CA 1.260 62.542 61.300 -0.030 0.000 1.380 503 I CB -0.465 37.395 38.000 -0.233 0.000 1.067 503 I HN 0.278 nan 8.210 nan 0.000 0.413 504 A N 0.371 123.250 122.820 0.099 0.000 1.972 504 A HA -0.235 4.081 4.320 -0.006 0.000 0.219 504 A C 2.153 179.776 177.584 0.064 0.000 1.169 504 A CA 1.625 53.773 52.037 0.184 0.000 0.635 504 A CB -0.614 18.522 19.000 0.226 0.000 0.810 504 A HN 0.441 nan 8.150 nan 0.000 0.446 505 E N -0.784 119.431 120.200 0.025 0.000 2.160 505 E HA -0.190 4.156 4.350 -0.006 0.000 0.195 505 E C 2.141 178.704 176.600 -0.061 0.000 0.991 505 E CA 1.214 57.611 56.400 -0.006 0.000 0.810 505 E CB -0.063 29.634 29.700 -0.003 0.000 0.742 505 E HN 0.600 nan 8.360 nan 0.000 0.466 506 R N -0.272 120.140 120.500 -0.148 0.000 2.250 506 R HA 0.169 4.505 4.340 -0.006 0.000 0.194 506 R C 2.039 178.267 176.300 -0.119 0.000 0.927 506 R CA 0.545 56.491 56.100 -0.258 0.000 1.052 506 R CB 0.420 30.260 30.300 -0.768 0.000 1.055 506 R HN 0.232 nan 8.270 nan 0.000 0.537 507 I N -3.467 117.060 120.570 -0.072 0.000 4.225 507 I HA 0.463 4.629 4.170 -0.006 0.000 0.327 507 I C 0.356 176.523 176.117 0.084 0.000 1.422 507 I CA -0.205 61.105 61.300 0.017 0.000 1.150 507 I CB 1.076 39.078 38.000 0.004 0.000 1.192 507 I HN 0.130 nan 8.210 nan 0.000 0.440 508 G N 2.171 111.029 108.800 0.096 0.000 2.660 508 G HA2 -0.201 3.755 3.960 -0.006 0.000 0.247 508 G HA3 -0.201 3.755 3.960 -0.006 0.000 0.247 508 G C -0.095 174.937 174.900 0.220 0.000 1.328 508 G CA 0.142 45.317 45.100 0.124 0.000 0.884 508 G HN 0.437 nan 8.290 nan 0.000 0.531 509 E N -0.428 119.848 120.200 0.126 0.000 2.476 509 E HA 0.074 4.420 4.350 -0.006 0.000 0.199 509 E C 1.846 178.388 176.600 -0.096 0.000 1.021 509 E CA -0.006 56.404 56.400 0.017 0.000 0.907 509 E CB 0.302 30.005 29.700 0.006 0.000 0.974 509 E HN 0.445 nan 8.360 nan 0.000 0.489 510 E N 0.811 121.029 120.200 0.030 0.000 2.219 510 E HA -0.205 4.141 4.350 -0.006 0.000 0.198 510 E C 1.777 178.371 176.600 -0.010 0.000 0.998 510 E CA 1.081 57.494 56.400 0.021 0.000 0.818 510 E CB -0.084 29.654 29.700 0.064 0.000 0.741 510 E HN 0.532 nan 8.360 nan 0.000 0.477 511 Y N -0.850 119.458 120.300 0.013 0.000 2.333 511 Y HA -0.076 4.471 4.550 -0.005 0.000 0.290 511 Y C 2.056 177.935 175.900 -0.034 0.000 1.144 511 Y CA 0.739 58.838 58.100 -0.002 0.000 1.228 511 Y CB -0.884 37.579 38.460 0.006 0.000 0.985 511 Y HN -0.079 nan 8.280 nan 0.000 0.542 512 I N 0.998 121.080 120.570 -0.814 0.000 2.423 512 I HA -0.253 3.913 4.170 -0.006 0.000 0.254 512 I C 1.696 177.556 176.117 -0.428 0.000 1.151 512 I CA 1.868 62.753 61.300 -0.691 0.000 1.421 512 I CB -0.419 37.084 38.000 -0.829 0.000 1.079 512 I HN 0.501 nan 8.210 nan 0.000 0.431 513 S N -2.233 113.325 115.700 -0.237 0.000 2.650 513 S HA 0.167 4.633 4.470 -0.006 0.000 0.240 513 S C 0.198 174.782 174.600 -0.027 0.000 1.007 513 S CA -0.477 57.660 58.200 -0.104 0.000 0.984 513 S CB 0.397 63.611 63.200 0.024 0.000 0.910 513 S HN 0.288 nan 8.310 nan 0.000 0.509 514 D N 0.719 121.113 120.400 -0.011 0.000 2.823 514 D HA 0.231 4.867 4.640 -0.006 0.000 0.255 514 D C 0.407 176.751 176.300 0.072 0.000 1.257 514 D CA -0.376 53.642 54.000 0.030 0.000 0.803 514 D CB 0.382 41.204 40.800 0.037 0.000 1.384 514 D HN 0.088 nan 8.370 nan 0.000 0.541 515 L N 1.180 122.447 121.223 0.072 0.000 2.261 515 L HA -0.063 4.274 4.340 -0.006 0.000 0.216 515 L C 1.460 178.384 176.870 0.091 0.000 1.114 515 L CA 1.633 56.546 54.840 0.121 0.000 0.777 515 L CB -0.095 42.027 42.059 0.105 0.000 0.910 515 L HN 0.276 nan 8.230 nan 0.000 0.440 516 D N -0.828 119.601 120.400 0.048 0.000 2.265 516 D HA -0.216 4.421 4.640 -0.006 0.000 0.208 516 D C 1.916 178.239 176.300 0.037 0.000 0.977 516 D CA 0.820 54.834 54.000 0.023 0.000 0.871 516 D CB 0.041 40.841 40.800 0.001 0.000 0.925 516 D HN 0.559 nan 8.370 nan 0.000 0.485 517 Q N -0.044 119.796 119.800 0.067 0.000 2.439 517 Q HA -0.045 4.291 4.340 -0.006 0.000 0.211 517 Q C 2.201 178.226 176.000 0.042 0.000 0.978 517 Q CA 0.207 56.051 55.803 0.068 0.000 0.897 517 Q CB 0.031 28.837 28.738 0.115 0.000 0.956 517 Q HN 0.386 nan 8.270 nan 0.000 0.483 518 L N -0.041 121.201 121.223 0.032 0.000 2.353 518 L HA -0.164 4.172 4.340 -0.006 0.000 0.220 518 L C 2.184 179.056 176.870 0.004 0.000 1.133 518 L CA 0.772 55.599 54.840 -0.021 0.000 0.798 518 L CB -0.276 41.778 42.059 -0.008 0.000 0.922 518 L HN 0.182 nan 8.230 nan 0.000 0.445 519 R N 0.287 120.796 120.500 0.014 0.000 2.200 519 R HA -0.159 4.178 4.340 -0.006 0.000 0.234 519 R C 2.010 178.313 176.300 0.005 0.000 1.127 519 R CA 0.957 57.064 56.100 0.012 0.000 0.989 519 R CB -0.127 30.175 30.300 0.004 0.000 0.869 519 R HN 0.373 nan 8.270 nan 0.000 0.459 520 K N 0.501 120.904 120.400 0.006 0.000 2.360 520 K HA -0.078 4.238 4.320 -0.006 0.000 0.201 520 K C 1.683 178.303 176.600 0.033 0.000 1.046 520 K CA 0.722 57.013 56.287 0.005 0.000 0.945 520 K CB 0.017 32.532 32.500 0.024 0.000 0.750 520 K HN 0.223 nan 8.250 nan 0.000 0.464 521 L N 0.483 121.734 121.223 0.046 0.000 2.465 521 L HA -0.113 4.223 4.340 -0.006 0.000 0.224 521 L C 1.786 178.714 176.870 0.097 0.000 1.145 521 L CA 0.010 54.909 54.840 0.098 0.000 0.834 521 L CB -0.190 41.902 42.059 0.056 0.000 0.944 521 L HN 0.117 nan 8.230 nan 0.000 0.451 522 L N 0.053 121.294 121.223 0.031 0.000 2.191 522 L HA -0.167 4.170 4.340 -0.006 0.000 0.212 522 L C 2.653 179.492 176.870 -0.050 0.000 1.103 522 L CA 1.819 56.665 54.840 0.011 0.000 0.769 522 L CB -0.750 41.305 42.059 -0.006 0.000 0.908 522 L HN 0.340 nan 8.230 nan 0.000 0.438 523 S N -2.731 112.869 115.700 -0.166 0.000 2.607 523 S HA -0.062 4.404 4.470 -0.006 0.000 0.224 523 S C 1.146 175.456 174.600 -0.483 0.000 0.969 523 S CA 0.225 58.229 58.200 -0.326 0.000 0.927 523 S CB -0.492 62.447 63.200 -0.434 0.000 0.772 523 S HN 0.445 nan 8.310 nan 0.000 0.533 524 Y N -0.478 119.763 120.300 -0.098 0.000 2.500 524 Y HA 0.424 4.972 4.550 -0.004 0.000 0.246 524 Y C 1.921 177.866 175.900 0.075 0.000 1.146 524 Y CA -0.742 57.299 58.100 -0.098 0.000 1.230 524 Y CB 0.065 38.266 38.460 -0.432 0.000 1.214 524 Y HN 0.257 nan 8.280 nan 0.000 0.526 525 V N 0.459 120.473 119.914 0.166 0.000 2.688 525 V HA -0.230 3.886 4.120 -0.006 0.000 0.256 525 V C 0.902 177.071 176.094 0.126 0.000 1.084 525 V CA 2.356 64.751 62.300 0.160 0.000 1.103 525 V CB -0.009 31.865 31.823 0.085 0.000 0.688 525 V HN 0.315 nan 8.190 nan 0.000 0.480 526 D N -0.834 119.624 120.400 0.096 0.000 2.398 526 D HA 0.127 4.763 4.640 -0.006 0.000 0.210 526 D C 0.366 176.723 176.300 0.095 0.000 1.094 526 D CA -0.001 54.043 54.000 0.073 0.000 0.839 526 D CB 0.055 40.874 40.800 0.032 0.000 0.963 526 D HN 0.439 nan 8.370 nan 0.000 0.506 527 D N 1.398 121.892 120.400 0.157 0.000 2.344 527 D HA -0.028 4.608 4.640 -0.006 0.000 0.253 527 D C 1.241 177.648 176.300 0.178 0.000 1.255 527 D CA 0.020 54.131 54.000 0.186 0.000 0.894 527 D CB 1.321 42.306 40.800 0.309 0.000 1.067 527 D HN -0.205 nan 8.370 nan 0.000 0.492 528 E N 3.217 123.485 120.200 0.114 0.000 2.160 528 E HA -0.179 4.167 4.350 -0.006 0.000 0.195 528 E C 1.688 178.339 176.600 0.086 0.000 0.991 528 E CA 1.491 57.941 56.400 0.083 0.000 0.810 528 E CB -0.013 29.720 29.700 0.055 0.000 0.742 528 E HN 0.591 nan 8.360 nan 0.000 0.466 529 A N -0.383 122.503 122.820 0.109 0.000 1.873 529 A HA -0.126 4.190 4.320 -0.006 0.000 0.215 529 A C 2.229 179.892 177.584 0.132 0.000 1.186 529 A CA 1.275 53.372 52.037 0.099 0.000 0.616 529 A CB -0.979 18.080 19.000 0.097 0.000 0.823 529 A HN 0.436 nan 8.150 nan 0.000 0.442 530 F N 0.477 120.428 119.950 0.002 0.000 2.102 530 F HA -0.173 4.351 4.527 -0.005 0.000 0.298 530 F C 2.075 177.874 175.800 -0.003 0.000 1.105 530 F CA 1.623 59.608 58.000 -0.026 0.000 1.239 530 F CB -0.109 38.877 39.000 -0.022 0.000 0.991 530 F HN 0.164 nan 8.300 nan 0.000 0.474 531 I N 0.121 120.720 120.570 0.050 0.000 2.194 531 I HA -0.359 3.807 4.170 -0.006 0.000 0.246 531 I C 2.553 178.615 176.117 -0.090 0.000 1.093 531 I CA 1.656 62.929 61.300 -0.045 0.000 1.355 531 I CB -0.486 37.536 38.000 0.036 0.000 1.046 531 I HN 0.120 nan 8.210 nan 0.000 0.413 532 R N 0.803 121.275 120.500 -0.048 0.000 2.092 532 R HA -0.162 4.174 4.340 -0.006 0.000 0.231 532 R C 1.871 178.119 176.300 -0.085 0.000 1.119 532 R CA 1.608 57.678 56.100 -0.051 0.000 0.970 532 R CB -0.062 30.227 30.300 -0.018 0.000 0.864 532 R HN 0.282 nan 8.270 nan 0.000 0.440 533 D N -0.294 120.037 120.400 -0.115 0.000 2.117 533 D HA -0.119 4.517 4.640 -0.006 0.000 0.198 533 D C 1.911 178.086 176.300 -0.207 0.000 0.982 533 D CA 1.154 55.074 54.000 -0.134 0.000 0.828 533 D CB -0.127 40.612 40.800 -0.103 0.000 0.967 533 D HN 0.080 nan 8.370 nan 0.000 0.464 534 V N 1.556 121.254 119.914 -0.361 0.000 2.295 534 V HA -0.241 3.875 4.120 -0.006 0.000 0.246 534 V C 2.547 178.547 176.094 -0.156 0.000 1.049 534 V CA 1.895 63.994 62.300 -0.335 0.000 1.024 534 V CB -0.801 30.746 31.823 -0.460 0.000 0.648 534 V HN 0.182 nan 8.190 nan 0.000 0.447 535 A N -0.520 122.228 122.820 -0.119 0.000 1.972 535 A HA -0.248 4.069 4.320 -0.006 0.000 0.219 535 A C 2.350 179.897 177.584 -0.062 0.000 1.169 535 A CA 2.086 54.086 52.037 -0.062 0.000 0.635 535 A CB -0.451 18.517 19.000 -0.054 0.000 0.810 535 A HN 0.532 nan 8.150 nan 0.000 0.446 536 K N -0.275 120.083 120.400 -0.070 0.000 2.057 536 K HA -0.056 4.260 4.320 -0.006 0.000 0.206 536 K C 1.796 178.368 176.600 -0.045 0.000 1.050 536 K CA 1.395 57.650 56.287 -0.054 0.000 0.935 536 K CB -0.214 32.257 32.500 -0.048 0.000 0.715 536 K HN 0.222 nan 8.250 nan 0.000 0.439 537 V N 1.775 121.657 119.914 -0.054 0.000 2.343 537 V HA -0.245 3.871 4.120 -0.006 0.000 0.247 537 V C 2.366 178.446 176.094 -0.024 0.000 1.051 537 V CA 1.985 64.263 62.300 -0.037 0.000 1.036 537 V CB -0.442 31.353 31.823 -0.047 0.000 0.654 537 V HN 0.349 nan 8.190 nan 0.000 0.451 538 K N 0.504 120.887 120.400 -0.028 0.000 2.026 538 K HA -0.226 4.091 4.320 -0.006 0.000 0.208 538 K C 2.163 178.738 176.600 -0.040 0.000 1.048 538 K CA 1.823 58.100 56.287 -0.016 0.000 0.929 538 K CB -0.520 31.984 32.500 0.007 0.000 0.713 538 K HN 0.379 nan 8.250 nan 0.000 0.439 539 Q N 1.068 120.837 119.800 -0.052 0.000 2.084 539 Q HA -0.125 4.211 4.340 -0.006 0.000 0.202 539 Q C 1.652 177.632 176.000 -0.033 0.000 0.978 539 Q CA 2.015 57.779 55.803 -0.066 0.000 0.844 539 Q CB -0.110 28.591 28.738 -0.061 0.000 0.898 539 Q HN 0.533 nan 8.270 nan 0.000 0.426 540 E N -0.511 119.681 120.200 -0.014 0.000 2.077 540 E HA -0.152 4.194 4.350 -0.006 0.000 0.193 540 E C 1.758 178.381 176.600 0.038 0.000 0.989 540 E CA 0.973 57.379 56.400 0.010 0.000 0.800 540 E CB -0.078 29.626 29.700 0.006 0.000 0.746 540 E HN 0.417 nan 8.360 nan 0.000 0.452 541 N N 1.051 119.772 118.700 0.034 0.000 2.120 541 N HA -0.131 4.605 4.740 -0.006 0.000 0.188 541 N C 1.512 177.103 175.510 0.135 0.000 1.024 541 N CA 1.043 54.135 53.050 0.070 0.000 0.852 541 N CB -0.083 38.429 38.487 0.042 0.000 1.003 541 N HN 0.143 nan 8.380 nan 0.000 0.424 542 K N 0.630 121.076 120.400 0.077 0.000 2.097 542 K HA 0.020 4.336 4.320 -0.006 0.000 0.205 542 K C 2.118 178.855 176.600 0.228 0.000 1.050 542 K CA 0.625 56.985 56.287 0.122 0.000 0.938 542 K CB -0.130 32.179 32.500 -0.318 0.000 0.718 542 K HN 0.110 nan 8.250 nan 0.000 0.442 543 L N 1.192 122.485 121.223 0.118 0.000 2.017 543 L HA -0.197 4.139 4.340 -0.006 0.000 0.208 543 L C 2.637 179.599 176.870 0.154 0.000 1.073 543 L CA 1.326 56.236 54.840 0.117 0.000 0.745 543 L CB -0.365 41.730 42.059 0.060 0.000 0.894 543 L HN 0.169 nan 8.230 nan 0.000 0.432 544 K N -0.183 120.313 120.400 0.161 0.000 2.057 544 K HA -0.245 4.071 4.320 -0.006 0.000 0.207 544 K C 2.197 178.952 176.600 0.259 0.000 1.049 544 K CA 1.670 58.062 56.287 0.175 0.000 0.931 544 K CB -0.187 32.404 32.500 0.152 0.000 0.714 544 K HN 0.077 nan 8.250 nan 0.000 0.440 545 F N 1.143 121.189 119.950 0.160 0.000 2.186 545 F HA -0.006 4.518 4.527 -0.006 0.000 0.299 545 F C 1.993 177.939 175.800 0.243 0.000 1.090 545 F CA 1.096 59.207 58.000 0.186 0.000 1.307 545 F CB -0.462 38.646 39.000 0.180 0.000 1.019 545 F HN 0.096 nan 8.300 nan 0.000 0.489 546 A N 0.184 123.149 122.820 0.241 0.000 1.933 546 A HA -0.059 4.257 4.320 -0.006 0.000 0.218 546 A C 2.404 180.013 177.584 0.042 0.000 1.175 546 A CA 1.743 53.858 52.037 0.132 0.000 0.628 546 A CB -1.442 17.702 19.000 0.239 0.000 0.814 546 A HN 0.441 nan 8.150 nan 0.000 0.444 547 A N -1.557 121.308 122.820 0.075 0.000 1.897 547 A HA -0.044 4.273 4.320 -0.006 0.000 0.215 547 A C 2.110 179.710 177.584 0.026 0.000 1.181 547 A CA 1.505 53.568 52.037 0.043 0.000 0.620 547 A CB -0.787 18.249 19.000 0.061 0.000 0.821 547 A HN 0.731 nan 8.150 nan 0.000 0.443 548 Y N 0.778 121.025 120.300 -0.089 0.000 2.165 548 Y HA -0.192 4.354 4.550 -0.006 0.000 0.286 548 Y C 1.884 177.698 175.900 -0.143 0.000 1.155 548 Y CA 1.816 59.848 58.100 -0.113 0.000 1.164 548 Y CB -0.330 38.067 38.460 -0.106 0.000 0.978 548 Y HN 0.215 nan 8.280 nan 0.000 0.513 549 L N 0.026 121.230 121.223 -0.033 0.000 2.079 549 L HA -0.233 4.103 4.340 -0.006 0.000 0.210 549 L C 2.290 179.158 176.870 -0.004 0.000 1.081 549 L CA 1.890 56.724 54.840 -0.009 0.000 0.752 549 L CB -0.513 41.476 42.059 -0.116 0.000 0.896 549 L HN 0.351 nan 8.230 nan 0.000 0.433 550 E N -0.492 119.690 120.200 -0.030 0.000 2.112 550 E HA -0.120 4.227 4.350 -0.006 0.000 0.190 550 E C 2.273 178.829 176.600 -0.075 0.000 0.979 550 E CA 0.387 56.789 56.400 0.002 0.000 0.814 550 E CB 0.083 29.787 29.700 0.006 0.000 0.762 550 E HN 0.432 nan 8.360 nan 0.000 0.460 551 R N 1.052 121.457 120.500 -0.159 0.000 2.096 551 R HA -0.143 4.193 4.340 -0.006 0.000 0.229 551 R C 1.921 178.031 176.300 -0.317 0.000 1.134 551 R CA 1.456 57.426 56.100 -0.215 0.000 0.917 551 R CB -0.133 30.022 30.300 -0.241 0.000 0.832 551 R HN -0.019 nan 8.270 nan 0.000 0.430 552 E N -1.250 118.598 120.200 -0.587 0.000 2.478 552 E HA -0.021 4.326 4.350 -0.006 0.000 0.194 552 E C 0.030 176.113 176.600 -0.860 0.000 1.045 552 E CA 0.623 56.556 56.400 -0.779 0.000 0.868 552 E CB 0.489 29.500 29.700 -1.150 0.000 0.885 552 E HN 0.376 nan 8.360 nan 0.000 0.505 553 Y N -0.481 119.720 120.300 -0.164 0.000 2.728 553 Y HA 0.238 4.784 4.550 -0.007 0.000 0.256 553 Y C -0.292 175.587 175.900 -0.035 0.000 1.112 553 Y CA -0.908 57.153 58.100 -0.066 0.000 1.240 553 Y CB 0.612 39.050 38.460 -0.036 0.000 1.337 553 Y HN -0.299 nan 8.280 nan 0.000 0.559 554 K N 1.464 121.902 120.400 0.063 0.000 4.430 554 K HA -0.122 4.194 4.320 -0.006 0.000 0.283 554 K C -0.684 175.971 176.600 0.092 0.000 0.845 554 K CA 0.919 57.252 56.287 0.077 0.000 0.819 554 K CB -1.588 30.944 32.500 0.053 0.000 1.735 554 K HN 0.281 nan 8.250 nan 0.000 0.429 555 V N -1.667 118.326 119.914 0.131 0.000 2.668 555 V HA 0.426 4.542 4.120 -0.006 0.000 0.304 555 V C 0.032 176.254 176.094 0.213 0.000 1.071 555 V CA -0.996 61.360 62.300 0.094 0.000 0.894 555 V CB 1.849 33.701 31.823 0.048 0.000 1.008 555 V HN 0.460 nan 8.190 nan 0.000 0.425 556 H N 5.457 124.515 119.070 -0.019 0.000 2.502 556 H HA 0.825 5.377 4.556 -0.006 0.000 0.327 556 H C -0.167 175.149 175.328 -0.019 0.000 1.099 556 H CA -0.365 55.674 56.048 -0.015 0.000 1.323 556 H CB 2.045 31.799 29.762 -0.014 0.000 1.450 556 H HN 0.910 nan 8.280 nan 0.000 0.502 557 I N -0.259 120.382 120.570 0.118 0.000 2.913 557 I HA 0.326 4.492 4.170 -0.006 0.000 0.302 557 I C -0.967 175.221 176.117 0.118 0.000 1.246 557 I CA -1.304 60.046 61.300 0.082 0.000 1.010 557 I CB 2.361 40.378 38.000 0.027 0.000 1.259 557 I HN 0.373 nan 8.210 nan 0.000 0.434 558 N N 5.146 123.925 118.700 0.132 0.000 2.415 558 N HA 0.415 5.151 4.740 -0.006 0.000 0.246 558 N C -2.029 173.617 175.510 0.228 0.000 1.078 558 N CA -2.206 50.927 53.050 0.139 0.000 0.942 558 N CB 1.114 39.659 38.487 0.097 0.000 1.140 558 N HN 0.371 nan 8.380 nan 0.000 0.501 559 P HA -0.048 nan 4.420 nan 0.000 0.226 559 P C 0.050 177.334 177.300 -0.027 0.000 1.146 559 P CA 1.156 64.331 63.100 0.125 0.000 0.773 559 P CB 0.150 31.899 31.700 0.081 0.000 0.772 560 N N -1.223 117.494 118.700 0.028 0.000 2.422 560 N HA 0.003 4.739 4.740 -0.006 0.000 0.181 560 N C 0.531 176.068 175.510 0.044 0.000 1.080 560 N CA -0.092 52.965 53.050 0.011 0.000 0.893 560 N CB 0.064 38.569 38.487 0.030 0.000 0.973 560 N HN 0.203 nan 8.380 nan 0.000 0.456 561 S N 0.473 116.214 115.700 0.069 0.000 2.624 561 S HA 0.193 4.659 4.470 -0.006 0.000 0.263 561 S C 0.020 174.582 174.600 -0.063 0.000 1.287 561 S CA -0.842 57.388 58.200 0.050 0.000 0.990 561 S CB 1.181 64.443 63.200 0.104 0.000 0.950 561 S HN 0.172 nan 8.310 nan 0.000 0.561 562 L N 1.846 122.883 121.223 -0.311 0.000 2.360 562 L HA 0.395 4.731 4.340 -0.006 0.000 0.276 562 L C -0.929 175.912 176.870 -0.048 0.000 1.121 562 L CA -0.616 53.835 54.840 -0.649 0.000 0.845 562 L CB -0.127 41.256 42.059 -1.127 0.000 1.143 562 L HN 0.712 nan 8.230 nan 0.000 0.452 563 F N 4.248 124.058 119.950 -0.233 0.000 2.405 563 F HA 0.108 4.632 4.527 -0.005 0.000 0.358 563 F C 0.401 176.132 175.800 -0.116 0.000 1.151 563 F CA -0.849 57.087 58.000 -0.106 0.000 1.161 563 F CB 0.588 39.578 39.000 -0.017 0.000 1.245 563 F HN 0.530 nan 8.300 nan 0.000 0.545 564 D N 4.948 125.355 120.400 0.011 0.000 2.396 564 D HA 0.253 4.889 4.640 -0.006 0.000 0.225 564 D C -0.984 175.260 176.300 -0.093 0.000 1.121 564 D CA -0.051 53.907 54.000 -0.069 0.000 0.853 564 D CB 1.324 42.068 40.800 -0.092 0.000 1.043 564 D HN 0.274 nan 8.370 nan 0.000 0.500 565 V N 2.378 122.216 119.914 -0.126 0.000 2.735 565 V HA 0.609 4.725 4.120 -0.006 0.000 0.310 565 V C -1.394 174.551 176.094 -0.249 0.000 1.061 565 V CA -0.710 61.498 62.300 -0.153 0.000 0.913 565 V CB 1.959 33.748 31.823 -0.057 0.000 1.005 565 V HN 0.512 nan 8.190 nan 0.000 0.428 566 Q N 4.022 123.692 119.800 -0.216 0.000 2.397 566 Q HA 0.657 4.994 4.340 -0.006 0.000 0.260 566 Q C -1.526 174.311 176.000 -0.272 0.000 1.002 566 Q CA -0.625 55.037 55.803 -0.235 0.000 0.716 566 Q CB 1.919 30.546 28.738 -0.185 0.000 1.258 566 Q HN 1.215 nan 8.270 nan 0.000 0.477 567 V N 1.745 121.483 119.914 -0.294 0.000 2.487 567 V HA 0.872 4.988 4.120 -0.006 0.000 0.298 567 V C -0.874 174.931 176.094 -0.482 0.000 1.028 567 V CA -0.526 61.404 62.300 -0.617 0.000 0.860 567 V CB 1.242 32.460 31.823 -1.009 0.000 0.991 567 V HN 0.820 nan 8.190 nan 0.000 0.427 568 K N 2.553 122.716 120.400 -0.394 0.000 3.040 568 K HA 0.410 4.726 4.320 -0.006 0.000 0.300 568 K C -1.278 175.316 176.600 -0.010 0.000 1.092 568 K CA -1.158 55.082 56.287 -0.078 0.000 0.831 568 K CB 0.930 33.380 32.500 -0.083 0.000 1.469 568 K HN 0.460 nan 8.250 nan 0.000 0.365 569 R N 0.912 121.459 120.500 0.079 0.000 2.698 569 R HA 0.159 4.495 4.340 -0.006 0.000 0.266 569 R C 0.364 176.689 176.300 0.041 0.000 1.026 569 R CA -0.296 55.866 56.100 0.103 0.000 1.102 569 R CB -0.158 30.229 30.300 0.145 0.000 0.978 569 R HN 0.463 nan 8.270 nan 0.000 0.436 570 I N 4.103 124.709 120.570 0.061 0.000 2.452 570 I HA 0.097 4.263 4.170 -0.006 0.000 0.287 570 I C 0.738 176.849 176.117 -0.011 0.000 1.079 570 I CA 0.541 61.833 61.300 -0.013 0.000 1.387 570 I CB -0.286 37.696 38.000 -0.031 0.000 1.404 570 I HN 0.354 nan 8.210 nan 0.000 0.522 571 H N 5.220 124.190 119.070 -0.168 0.000 3.046 571 H HA 0.226 4.779 4.556 -0.006 0.000 0.363 571 H C 0.372 175.574 175.328 -0.208 0.000 1.203 571 H CA -0.379 55.610 56.048 -0.098 0.000 1.169 571 H CB 1.852 31.537 29.762 -0.128 0.000 1.851 571 H HN 0.592 nan 8.280 nan 0.000 0.546 572 E N 2.005 122.257 120.200 0.086 0.000 2.110 572 E HA -0.226 4.120 4.350 -0.006 0.000 0.193 572 E C 1.319 177.748 176.600 -0.285 0.000 0.988 572 E CA 1.695 58.120 56.400 0.043 0.000 0.804 572 E CB -0.031 29.854 29.700 0.308 0.000 0.745 572 E HN 0.576 nan 8.360 nan 0.000 0.458 573 Y N 0.957 120.881 120.300 -0.625 0.000 2.352 573 Y HA -0.004 4.543 4.550 -0.007 0.000 0.292 573 Y C 1.509 177.139 175.900 -0.450 0.000 1.136 573 Y CA 0.824 58.235 58.100 -1.149 0.000 1.227 573 Y CB -0.129 37.636 38.460 -1.157 0.000 0.991 573 Y HN -0.216 nan 8.280 nan 0.000 0.545 574 K N 0.796 120.714 120.400 -0.804 0.000 2.432 574 K HA 0.044 4.361 4.320 -0.006 0.000 0.196 574 K C 0.120 176.551 176.600 -0.282 0.000 1.038 574 K CA 0.559 56.505 56.287 -0.569 0.000 0.986 574 K CB -0.080 32.074 32.500 -0.577 0.000 0.782 574 K HN 0.267 nan 8.250 nan 0.000 0.485 575 R N 0.439 120.804 120.500 -0.225 0.000 3.333 575 R HA -0.233 4.103 4.340 -0.006 0.000 0.256 575 R C 0.242 176.468 176.300 -0.124 0.000 1.010 575 R CA 0.211 56.231 56.100 -0.133 0.000 0.680 575 R CB -1.844 28.396 30.300 -0.100 0.000 1.102 575 R HN 0.298 nan 8.270 nan 0.000 0.440 576 Q N 0.313 120.038 119.800 -0.126 0.000 2.291 576 Q HA -0.031 4.305 4.340 -0.006 0.000 0.206 576 Q C 2.020 177.972 176.000 -0.079 0.000 0.976 576 Q CA 1.281 57.022 55.803 -0.104 0.000 0.875 576 Q CB 0.048 28.728 28.738 -0.097 0.000 0.927 576 Q HN 0.583 nan 8.270 nan 0.000 0.450 577 L N -0.626 120.554 121.223 -0.072 0.000 2.131 577 L HA -0.172 4.164 4.340 -0.006 0.000 0.210 577 L C 1.965 178.836 176.870 0.001 0.000 1.092 577 L CA 0.503 55.315 54.840 -0.047 0.000 0.759 577 L CB -0.312 41.730 42.059 -0.029 0.000 0.903 577 L HN 0.310 nan 8.230 nan 0.000 0.435 578 L N -0.019 121.197 121.223 -0.011 0.000 2.093 578 L HA -0.225 4.112 4.340 -0.006 0.000 0.208 578 L C 2.021 178.942 176.870 0.085 0.000 1.085 578 L CA 1.868 56.712 54.840 0.008 0.000 0.755 578 L CB -0.812 41.141 42.059 -0.177 0.000 0.904 578 L HN 0.282 nan 8.230 nan 0.000 0.435 579 N N -1.629 117.089 118.700 0.030 0.000 2.084 579 N HA -0.234 4.502 4.740 -0.006 0.000 0.190 579 N C 1.937 177.527 175.510 0.134 0.000 1.030 579 N CA 1.622 54.766 53.050 0.157 0.000 0.849 579 N CB -0.138 38.373 38.487 0.040 0.000 1.012 579 N HN 0.493 nan 8.380 nan 0.000 0.423 580 C N 0.607 119.922 119.300 0.024 0.000 2.413 580 C HA -0.079 4.377 4.460 -0.006 0.000 0.276 580 C C 2.599 177.577 174.990 -0.021 0.000 1.248 580 C CA 0.381 59.366 59.018 -0.056 0.000 1.742 580 C CB -1.270 26.385 27.740 -0.141 0.000 2.017 580 C HN 0.510 nan 8.230 nan 0.000 0.481 581 L N -0.354 120.918 121.223 0.082 0.000 2.046 581 L HA -0.197 4.139 4.340 -0.006 0.000 0.208 581 L C 2.769 179.780 176.870 0.235 0.000 1.077 581 L CA 1.808 56.740 54.840 0.154 0.000 0.747 581 L CB -1.040 41.181 42.059 0.270 0.000 0.896 581 L HN 0.591 nan 8.230 nan 0.000 0.432 582 H N -0.083 119.091 119.070 0.172 0.000 2.357 582 H HA -0.131 4.421 4.556 -0.006 0.000 0.301 582 H C 2.243 177.559 175.328 -0.021 0.000 1.082 582 H CA 1.843 57.912 56.048 0.035 0.000 1.342 582 H CB 0.320 30.030 29.762 -0.087 0.000 1.389 582 H HN 0.088 nan 8.280 nan 0.000 0.511 583 V N 1.714 121.540 119.914 -0.147 0.000 2.287 583 V HA -0.288 3.828 4.120 -0.006 0.000 0.248 583 V C 2.850 178.863 176.094 -0.135 0.000 1.053 583 V CA 1.973 64.150 62.300 -0.205 0.000 1.027 583 V CB -0.532 31.219 31.823 -0.119 0.000 0.646 583 V HN 0.407 nan 8.190 nan 0.000 0.447 584 I N -0.202 120.320 120.570 -0.081 0.000 2.361 584 I HA -0.221 3.945 4.170 -0.006 0.000 0.251 584 I C 2.473 178.623 176.117 0.055 0.000 1.133 584 I CA 1.707 63.018 61.300 0.017 0.000 1.413 584 I CB -0.697 37.285 38.000 -0.031 0.000 1.073 584 I HN 0.339 nan 8.210 nan 0.000 0.424 585 T N 1.188 115.735 114.554 -0.011 0.000 2.746 585 T HA -0.130 4.216 4.350 -0.006 0.000 0.267 585 T C 1.878 176.522 174.700 -0.094 0.000 1.039 585 T CA 1.143 63.233 62.100 -0.016 0.000 1.142 585 T CB -0.216 68.672 68.868 0.032 0.000 0.866 585 T HN 0.084 nan 8.240 nan 0.000 0.444 586 L N 0.113 121.211 121.223 -0.209 0.000 2.046 586 L HA -0.006 4.330 4.340 -0.006 0.000 0.208 586 L C 2.094 178.917 176.870 -0.078 0.000 1.077 586 L CA 1.555 56.271 54.840 -0.208 0.000 0.747 586 L CB -0.937 40.927 42.059 -0.325 0.000 0.896 586 L HN 0.361 nan 8.230 nan 0.000 0.432 587 Y N 0.104 120.331 120.300 -0.121 0.000 2.181 587 Y HA -0.257 4.289 4.550 -0.007 0.000 0.288 587 Y C 2.411 178.284 175.900 -0.046 0.000 1.146 587 Y CA 1.728 59.796 58.100 -0.053 0.000 1.164 587 Y CB -0.075 38.394 38.460 0.015 0.000 0.982 587 Y HN 0.265 nan 8.280 nan 0.000 0.515 588 N N 0.482 119.128 118.700 -0.091 0.000 2.188 588 N HA -0.134 4.602 4.740 -0.006 0.000 0.184 588 N C 1.812 177.209 175.510 -0.189 0.000 1.018 588 N CA 1.427 54.365 53.050 -0.186 0.000 0.858 588 N CB -0.354 38.083 38.487 -0.084 0.000 0.989 588 N HN 0.446 nan 8.380 nan 0.000 0.426 589 R N 0.427 120.842 120.500 -0.141 0.000 2.092 589 R HA 0.077 4.413 4.340 -0.006 0.000 0.231 589 R C 2.199 178.413 176.300 -0.143 0.000 1.119 589 R CA 0.720 56.746 56.100 -0.123 0.000 0.970 589 R CB -0.202 30.035 30.300 -0.105 0.000 0.864 589 R HN 0.248 nan 8.270 nan 0.000 0.440 590 I N 0.906 121.369 120.570 -0.179 0.000 2.202 590 I HA -0.250 3.916 4.170 -0.006 0.000 0.242 590 I C 2.049 178.049 176.117 -0.195 0.000 1.091 590 I CA 1.139 62.335 61.300 -0.173 0.000 1.368 590 I CB -0.188 37.710 38.000 -0.170 0.000 1.058 590 I HN 0.024 nan 8.210 nan 0.000 0.410 591 K N 0.940 121.159 120.400 -0.302 0.000 2.209 591 K HA -0.201 4.115 4.320 -0.006 0.000 0.204 591 K C 1.987 178.490 176.600 -0.161 0.000 1.048 591 K CA 1.144 57.269 56.287 -0.270 0.000 0.940 591 K CB -0.291 31.971 32.500 -0.396 0.000 0.729 591 K HN 0.342 nan 8.250 nan 0.000 0.451 592 K N 1.172 121.484 120.400 -0.146 0.000 2.076 592 K HA -0.075 4.241 4.320 -0.006 0.000 0.204 592 K C 0.051 176.607 176.600 -0.074 0.000 1.051 592 K CA 1.033 57.261 56.287 -0.098 0.000 0.949 592 K CB 0.356 32.802 32.500 -0.090 0.000 0.726 592 K HN 0.060 nan 8.250 nan 0.000 0.443 593 E N 0.270 120.424 120.200 -0.077 0.000 3.374 593 E HA 0.122 4.468 4.350 -0.006 0.000 0.223 593 E C -2.342 174.225 176.600 -0.055 0.000 1.210 593 E CA -1.659 54.709 56.400 -0.054 0.000 0.987 593 E CB 1.724 31.398 29.700 -0.043 0.000 1.322 593 E HN 0.125 nan 8.360 nan 0.000 0.404 594 P HA -0.186 nan 4.420 nan 0.000 0.216 594 P C 0.227 177.512 177.300 -0.025 0.000 1.153 594 P CA 1.321 64.392 63.100 -0.049 0.000 0.858 594 P CB 0.168 31.844 31.700 -0.041 0.000 0.789 595 N N -1.159 117.535 118.700 -0.010 0.000 2.362 595 N HA 0.009 4.745 4.740 -0.006 0.000 0.211 595 N C 0.403 175.930 175.510 0.029 0.000 1.170 595 N CA 0.062 53.119 53.050 0.011 0.000 0.828 595 N CB -0.111 38.382 38.487 0.010 0.000 1.034 595 N HN 0.028 nan 8.380 nan 0.000 0.475 596 K N 1.070 121.481 120.400 0.019 0.000 2.130 596 K HA 0.183 4.500 4.320 -0.006 0.000 0.268 596 K C -0.982 175.658 176.600 0.067 0.000 0.983 596 K CA -0.639 55.673 56.287 0.041 0.000 0.893 596 K CB 0.704 33.207 32.500 0.004 0.000 1.066 596 K HN -0.034 nan 8.250 nan 0.000 0.450 597 F N 4.356 124.293 119.950 -0.021 0.000 2.443 597 F HA 0.281 4.804 4.527 -0.007 0.000 0.353 597 F C -0.416 175.371 175.800 -0.022 0.000 1.101 597 F CA -0.117 57.872 58.000 -0.019 0.000 1.226 597 F CB 0.693 39.684 39.000 -0.014 0.000 1.140 597 F HN 0.192 nan 8.300 nan 0.000 0.557 598 V N 4.019 123.289 119.914 -1.074 0.000 2.888 598 V HA 0.519 4.635 4.120 -0.006 0.000 0.309 598 V C -0.918 174.552 176.094 -1.040 0.000 1.114 598 V CA -1.216 60.611 62.300 -0.787 0.000 0.940 598 V CB 0.853 32.447 31.823 -0.382 0.000 1.021 598 V HN 0.606 nan 8.190 nan 0.000 0.426 599 V N 4.765 124.324 119.914 -0.592 0.000 2.540 599 V HA 0.189 4.305 4.120 -0.006 0.000 0.297 599 V C -1.827 174.108 176.094 -0.265 0.000 1.024 599 V CA -0.351 61.757 62.300 -0.319 0.000 1.105 599 V CB 0.418 32.184 31.823 -0.095 0.000 0.938 599 V HN 0.904 nan 8.190 nan 0.000 0.482 600 P HA 0.318 nan 4.420 nan 0.000 0.268 600 P C -0.390 176.834 177.300 -0.126 0.000 1.204 600 P CA 0.013 63.039 63.100 -0.124 0.000 0.768 600 P CB 0.522 32.198 31.700 -0.039 0.000 0.842 601 R N 1.172 121.609 120.500 -0.105 0.000 2.725 601 R HA 0.593 4.929 4.340 -0.006 0.000 0.277 601 R C -0.871 175.401 176.300 -0.047 0.000 0.987 601 R CA -0.667 55.373 56.100 -0.100 0.000 0.901 601 R CB 2.065 32.287 30.300 -0.130 0.000 1.207 601 R HN 0.270 nan 8.270 nan 0.000 0.463 602 T N 1.844 116.386 114.554 -0.021 0.000 2.864 602 T HA 0.245 4.592 4.350 -0.006 0.000 0.310 602 T C -0.466 174.162 174.700 -0.119 0.000 1.040 602 T CA -0.463 61.589 62.100 -0.080 0.000 0.977 602 T CB 1.170 69.934 68.868 -0.173 0.000 0.976 602 T HN 0.141 nan 8.240 nan 0.000 0.459 603 V N 5.904 125.754 119.914 -0.107 0.000 2.385 603 V HA 0.427 4.544 4.120 -0.006 0.000 0.269 603 V C 0.076 176.099 176.094 -0.119 0.000 1.043 603 V CA -0.375 61.865 62.300 -0.101 0.000 0.906 603 V CB 0.712 32.488 31.823 -0.078 0.000 0.995 603 V HN 0.846 nan 8.190 nan 0.000 0.467 604 M N 6.677 126.195 119.600 -0.136 0.000 2.181 604 M HA 0.611 5.087 4.480 -0.006 0.000 0.323 604 M C -0.984 175.210 176.300 -0.177 0.000 1.004 604 M CA -0.145 55.065 55.300 -0.151 0.000 0.941 604 M CB 1.934 34.447 32.600 -0.146 0.000 1.579 604 M HN 0.425 nan 8.290 nan 0.000 0.427 605 I N 1.925 122.366 120.570 -0.215 0.000 2.498 605 I HA 0.831 4.998 4.170 -0.006 0.000 0.290 605 I C 0.048 175.823 176.117 -0.570 0.000 1.032 605 I CA -0.644 60.496 61.300 -0.267 0.000 1.073 605 I CB 2.316 40.248 38.000 -0.115 0.000 1.251 605 I HN 0.801 nan 8.210 nan 0.000 0.426 606 G N 2.963 111.402 108.800 -0.601 0.000 2.704 606 G HA2 0.828 4.784 3.960 -0.006 0.000 0.293 606 G HA3 0.828 4.784 3.960 -0.006 0.000 0.293 606 G C -1.048 173.560 174.900 -0.487 0.000 1.421 606 G CA -0.719 43.878 45.100 -0.839 0.000 0.870 606 G HN 0.990 nan 8.290 nan 0.000 0.492 607 G N -0.382 108.294 108.800 -0.207 0.000 2.352 607 G HA2 0.419 4.375 3.960 -0.006 0.000 0.305 607 G HA3 0.419 4.375 3.960 -0.006 0.000 0.305 607 G C -1.292 173.756 174.900 0.246 0.000 1.537 607 G CA -1.019 44.124 45.100 0.072 0.000 0.959 607 G HN 0.607 nan 8.290 nan 0.000 0.668 608 K N -0.206 120.334 120.400 0.234 0.000 2.098 608 K HA 0.774 5.091 4.320 -0.006 0.000 0.258 608 K C 0.174 176.926 176.600 0.254 0.000 0.973 608 K CA -0.254 56.192 56.287 0.266 0.000 0.898 608 K CB 2.091 34.661 32.500 0.118 0.000 1.057 608 K HN 0.877 nan 8.250 nan 0.000 0.447 609 A N 1.217 124.219 122.820 0.303 0.000 2.337 609 A HA 0.654 4.970 4.320 -0.006 0.000 0.329 609 A C -0.541 177.230 177.584 0.310 0.000 1.146 609 A CA -0.759 51.399 52.037 0.203 0.000 0.800 609 A CB 1.135 20.166 19.000 0.052 0.000 1.220 609 A HN 0.768 nan 8.150 nan 0.000 0.472 610 A N 3.337 126.332 122.820 0.292 0.000 2.511 610 A HA 0.470 4.786 4.320 -0.006 0.000 0.242 610 A C -1.425 176.258 177.584 0.164 0.000 1.069 610 A CA -0.760 51.448 52.037 0.284 0.000 0.763 610 A CB -0.383 18.760 19.000 0.238 0.000 1.001 610 A HN 0.596 nan 8.150 nan 0.000 0.498 611 P HA -0.148 nan 4.420 nan 0.000 0.217 611 P C 1.249 178.548 177.300 -0.002 0.000 1.151 611 P CA 2.025 65.080 63.100 -0.074 0.000 0.849 611 P CB 0.218 31.823 31.700 -0.159 0.000 0.787 612 G N -3.104 105.721 108.800 0.043 0.000 3.337 612 G HA2 -0.050 3.906 3.960 -0.006 0.000 0.246 612 G HA3 -0.050 3.906 3.960 -0.006 0.000 0.246 612 G C -0.316 174.629 174.900 0.075 0.000 1.131 612 G CA -0.103 45.025 45.100 0.046 0.000 0.773 612 G HN 0.306 nan 8.290 nan 0.000 0.544 613 Y N 1.691 121.941 120.300 -0.084 0.000 2.751 613 Y HA 0.194 4.740 4.550 -0.007 0.000 0.333 613 Y C 1.626 177.504 175.900 -0.037 0.000 1.122 613 Y CA -1.096 56.928 58.100 -0.128 0.000 1.367 613 Y CB 0.120 38.468 38.460 -0.186 0.000 1.242 613 Y HN 0.317 nan 8.280 nan 0.000 0.505 614 H N 4.005 123.176 119.070 0.168 0.000 2.289 614 H HA -0.244 4.308 4.556 -0.006 0.000 0.296 614 H C 1.824 177.158 175.328 0.011 0.000 1.091 614 H CA 2.492 58.585 56.048 0.075 0.000 1.274 614 H CB 0.324 30.131 29.762 0.076 0.000 1.364 614 H HN 0.716 nan 8.280 nan 0.000 0.490 615 M N 1.048 120.625 119.600 -0.039 0.000 2.108 615 M HA -0.102 4.374 4.480 -0.006 0.000 0.261 615 M C 2.553 178.595 176.300 -0.431 0.000 1.066 615 M CA 1.888 57.077 55.300 -0.186 0.000 1.107 615 M CB -0.785 31.831 32.600 0.026 0.000 1.356 615 M HN 0.356 nan 8.290 nan 0.000 0.406 616 A N -0.496 121.825 122.820 -0.831 0.000 1.933 616 A HA -0.194 4.123 4.320 -0.006 0.000 0.218 616 A C 2.207 179.577 177.584 -0.357 0.000 1.175 616 A CA 1.886 53.474 52.037 -0.747 0.000 0.628 616 A CB -0.642 17.721 19.000 -1.062 0.000 0.814 616 A HN 0.589 nan 8.150 nan 0.000 0.444 617 K N -1.156 119.083 120.400 -0.268 0.000 2.148 617 K HA -0.023 4.293 4.320 -0.006 0.000 0.204 617 K C 1.867 178.399 176.600 -0.113 0.000 1.050 617 K CA 1.140 57.356 56.287 -0.119 0.000 0.942 617 K CB -0.178 32.311 32.500 -0.018 0.000 0.724 617 K HN 0.341 nan 8.250 nan 0.000 0.446 618 M N 0.410 119.893 119.600 -0.196 0.000 2.254 618 M HA -0.054 4.422 4.480 -0.006 0.000 0.265 618 M C 2.021 178.249 176.300 -0.120 0.000 1.066 618 M CA 1.341 56.572 55.300 -0.116 0.000 1.123 618 M CB -0.498 32.022 32.600 -0.133 0.000 1.388 618 M HN 0.125 nan 8.290 nan 0.000 0.425 619 I N -0.375 120.087 120.570 -0.180 0.000 2.315 619 I HA -0.268 3.898 4.170 -0.006 0.000 0.248 619 I C 2.242 178.231 176.117 -0.213 0.000 1.117 619 I CA 0.907 62.095 61.300 -0.188 0.000 1.404 619 I CB -0.236 37.654 38.000 -0.185 0.000 1.071 619 I HN 0.163 nan 8.210 nan 0.000 0.419 620 I N 0.699 121.124 120.570 -0.241 0.000 2.252 620 I HA -0.280 3.886 4.170 -0.006 0.000 0.245 620 I C 2.595 178.440 176.117 -0.453 0.000 1.102 620 I CA 1.158 62.229 61.300 -0.382 0.000 1.385 620 I CB -0.258 37.486 38.000 -0.427 0.000 1.064 620 I HN 0.137 nan 8.210 nan 0.000 0.414 621 K N 1.584 121.728 120.400 -0.426 0.000 2.097 621 K HA -0.157 4.159 4.320 -0.006 0.000 0.206 621 K C 2.041 178.478 176.600 -0.273 0.000 1.049 621 K CA 1.515 57.471 56.287 -0.552 0.000 0.933 621 K CB -0.573 31.340 32.500 -0.979 0.000 0.717 621 K HN 0.230 nan 8.250 nan 0.000 0.442 622 L N 0.363 121.449 121.223 -0.228 0.000 2.046 622 L HA -0.146 4.190 4.340 -0.006 0.000 0.208 622 L C 2.162 178.785 176.870 -0.412 0.000 1.077 622 L CA 1.625 56.149 54.840 -0.526 0.000 0.747 622 L CB -0.266 41.393 42.059 -0.667 0.000 0.896 622 L HN 0.271 nan 8.230 nan 0.000 0.432 623 I N -0.133 120.256 120.570 -0.302 0.000 2.179 623 I HA -0.329 3.837 4.170 -0.006 0.000 0.242 623 I C 2.625 178.639 176.117 -0.171 0.000 1.088 623 I CA 1.923 63.101 61.300 -0.203 0.000 1.357 623 I CB -0.599 37.367 38.000 -0.056 0.000 1.051 623 I HN 0.421 nan 8.210 nan 0.000 0.409 624 T N -0.755 113.673 114.554 -0.210 0.000 2.821 624 T HA -0.069 4.277 4.350 -0.006 0.000 0.267 624 T C 1.999 176.632 174.700 -0.113 0.000 1.046 624 T CA 0.924 62.931 62.100 -0.155 0.000 1.139 624 T CB -0.488 68.243 68.868 -0.228 0.000 0.871 624 T HN 0.340 nan 8.240 nan 0.000 0.454 625 A N 1.639 124.385 122.820 -0.123 0.000 1.902 625 A HA 0.104 4.420 4.320 -0.006 0.000 0.217 625 A C 2.397 179.986 177.584 0.009 0.000 1.181 625 A CA 1.394 53.426 52.037 -0.009 0.000 0.623 625 A CB -0.854 18.230 19.000 0.139 0.000 0.818 625 A HN 0.597 nan 8.150 nan 0.000 0.443 626 I N -0.406 120.058 120.570 -0.177 0.000 2.226 626 I HA -0.192 3.974 4.170 -0.006 0.000 0.245 626 I C 2.696 178.770 176.117 -0.072 0.000 1.100 626 I CA 1.091 62.250 61.300 -0.235 0.000 1.374 626 I CB -0.619 37.123 38.000 -0.430 0.000 1.057 626 I HN 0.402 nan 8.210 nan 0.000 0.413 627 G N 0.419 109.181 108.800 -0.063 0.000 2.418 627 G HA2 -0.249 3.707 3.960 -0.006 0.000 0.217 627 G HA3 -0.249 3.707 3.960 -0.006 0.000 0.217 627 G C 1.248 176.190 174.900 0.069 0.000 1.158 627 G CA 0.868 45.961 45.100 -0.012 0.000 0.771 627 G HN 0.273 nan 8.290 nan 0.000 0.545 628 D N 0.051 120.492 120.400 0.068 0.000 2.149 628 D HA -0.091 4.545 4.640 -0.006 0.000 0.198 628 D C 2.694 179.059 176.300 0.109 0.000 0.990 628 D CA 0.741 54.788 54.000 0.079 0.000 0.839 628 D CB -0.164 40.626 40.800 -0.017 0.000 0.948 628 D HN 0.256 nan 8.370 nan 0.000 0.460 629 V N 0.042 120.007 119.914 0.086 0.000 2.331 629 V HA -0.123 3.993 4.120 -0.006 0.000 0.242 629 V C 2.584 178.677 176.094 -0.002 0.000 1.034 629 V CA 0.695 63.014 62.300 0.033 0.000 1.027 629 V CB -0.263 31.592 31.823 0.054 0.000 0.667 629 V HN 0.024 nan 8.190 nan 0.000 0.457 630 V N 1.048 120.908 119.914 -0.091 0.000 2.343 630 V HA -0.204 3.912 4.120 -0.006 0.000 0.247 630 V C 2.164 178.275 176.094 0.028 0.000 1.051 630 V CA 2.024 64.259 62.300 -0.107 0.000 1.036 630 V CB -0.864 30.878 31.823 -0.135 0.000 0.654 630 V HN 0.571 nan 8.190 nan 0.000 0.451 631 N N -0.240 118.468 118.700 0.014 0.000 2.512 631 N HA -0.095 4.641 4.740 -0.006 0.000 0.183 631 N C 1.154 176.493 175.510 -0.285 0.000 1.073 631 N CA 0.900 53.877 53.050 -0.121 0.000 0.911 631 N CB -0.259 38.113 38.487 -0.191 0.000 0.964 631 N HN 0.662 nan 8.380 nan 0.000 0.447 632 H N -1.273 117.801 119.070 0.006 0.000 2.674 632 H HA 0.209 4.761 4.556 -0.006 0.000 0.274 632 H C -0.525 174.822 175.328 0.032 0.000 1.121 632 H CA -0.525 55.528 56.048 0.008 0.000 1.132 632 H CB 0.452 30.207 29.762 -0.010 0.000 1.606 632 H HN 0.002 nan 8.280 nan 0.000 0.558 633 D N 1.596 122.085 120.400 0.148 0.000 2.339 633 D HA 0.057 4.693 4.640 -0.006 0.000 0.241 633 D C -1.639 174.723 176.300 0.103 0.000 1.183 633 D CA -2.012 52.084 54.000 0.160 0.000 0.859 633 D CB 1.652 42.630 40.800 0.298 0.000 1.067 633 D HN 0.077 nan 8.370 nan 0.000 0.484 634 P HA -0.171 nan 4.420 nan 0.000 0.216 634 P C 1.594 178.916 177.300 0.037 0.000 1.153 634 P CA 0.582 63.709 63.100 0.045 0.000 0.858 634 P CB 0.405 32.128 31.700 0.037 0.000 0.789 635 V N -0.770 119.167 119.914 0.038 0.000 2.490 635 V HA -0.180 3.937 4.120 -0.006 0.000 0.250 635 V C 2.392 178.492 176.094 0.011 0.000 1.061 635 V CA 1.596 63.905 62.300 0.015 0.000 1.064 635 V CB -1.043 30.776 31.823 -0.006 0.000 0.670 635 V HN -0.006 nan 8.190 nan 0.000 0.461 636 V N -0.266 119.672 119.914 0.041 0.000 2.453 636 V HA 0.116 4.232 4.120 -0.006 0.000 0.247 636 V C 1.796 177.903 176.094 0.022 0.000 1.048 636 V CA 1.443 63.767 62.300 0.040 0.000 1.049 636 V CB -1.205 30.692 31.823 0.123 0.000 0.672 636 V HN 0.738 nan 8.190 nan 0.000 0.457 637 G N 1.640 110.456 108.800 0.026 0.000 2.550 637 G HA2 -0.353 3.603 3.960 -0.006 0.000 0.277 637 G HA3 -0.353 3.603 3.960 -0.006 0.000 0.277 637 G C 0.372 175.278 174.900 0.011 0.000 1.190 637 G CA 0.378 45.488 45.100 0.016 0.000 0.971 637 G HN 0.649 nan 8.290 nan 0.000 0.559 638 D N 0.505 120.912 120.400 0.012 0.000 2.491 638 D HA 0.160 4.796 4.640 -0.006 0.000 0.228 638 D C 1.705 178.006 176.300 0.002 0.000 1.183 638 D CA -0.118 53.890 54.000 0.013 0.000 0.827 638 D CB 0.058 40.874 40.800 0.027 0.000 0.989 638 D HN 0.569 nan 8.370 nan 0.000 0.494 639 R N -0.520 119.972 120.500 -0.013 0.000 2.210 639 R HA 0.193 4.529 4.340 -0.006 0.000 0.203 639 R C 0.021 176.289 176.300 -0.054 0.000 1.010 639 R CA 0.209 56.280 56.100 -0.048 0.000 1.008 639 R CB 0.421 30.677 30.300 -0.074 0.000 0.923 639 R HN 0.101 nan 8.270 nan 0.000 0.469 640 L N 0.681 121.889 121.223 -0.025 0.000 2.505 640 L HA 0.407 4.743 4.340 -0.006 0.000 0.266 640 L C -1.655 175.204 176.870 -0.018 0.000 0.954 640 L CA -0.548 54.277 54.840 -0.026 0.000 0.852 640 L CB 1.809 43.865 42.059 -0.005 0.000 1.282 640 L HN -0.192 nan 8.230 nan 0.000 0.403 641 R N 3.768 124.245 120.500 -0.038 0.000 2.628 641 R HA 0.779 5.115 4.340 -0.006 0.000 0.288 641 R C -1.635 174.627 176.300 -0.063 0.000 0.980 641 R CA -0.799 55.272 56.100 -0.048 0.000 0.891 641 R CB 2.340 32.611 30.300 -0.049 0.000 1.188 641 R HN 0.388 nan 8.270 nan 0.000 0.450 642 V N 4.696 124.574 119.914 -0.060 0.000 2.376 642 V HA 0.447 4.563 4.120 -0.006 0.000 0.287 642 V C -0.436 175.631 176.094 -0.045 0.000 1.015 642 V CA -0.699 61.564 62.300 -0.062 0.000 0.834 642 V CB 1.502 33.283 31.823 -0.070 0.000 1.001 642 V HN 0.508 nan 8.190 nan 0.000 0.428 643 I N 4.914 125.452 120.570 -0.054 0.000 2.474 643 I HA 0.465 4.631 4.170 -0.006 0.000 0.294 643 I C -0.601 175.504 176.117 -0.021 0.000 1.005 643 I CA -0.494 60.785 61.300 -0.035 0.000 1.113 643 I CB 1.790 39.747 38.000 -0.072 0.000 1.289 643 I HN 0.538 nan 8.210 nan 0.000 0.436 644 F N 6.955 126.846 119.950 -0.098 0.000 2.385 644 F HA 0.509 5.033 4.527 -0.006 0.000 0.360 644 F C -0.640 175.098 175.800 -0.104 0.000 1.122 644 F CA -0.773 57.168 58.000 -0.098 0.000 1.090 644 F CB 0.678 39.620 39.000 -0.096 0.000 1.150 644 F HN 0.145 nan 8.300 nan 0.000 0.472 645 L N 6.054 126.872 121.223 -0.674 0.000 2.407 645 L HA 0.150 4.486 4.340 -0.006 0.000 0.282 645 L C 0.374 176.983 176.870 -0.436 0.000 1.110 645 L CA 0.185 54.767 54.840 -0.430 0.000 0.863 645 L CB 0.025 41.921 42.059 -0.271 0.000 1.207 645 L HN 0.623 nan 8.230 nan 0.000 0.454 646 E N 3.310 123.391 120.200 -0.198 0.000 2.392 646 E HA -0.043 4.303 4.350 -0.006 0.000 0.264 646 E C 0.507 177.168 176.600 0.103 0.000 1.024 646 E CA -0.259 56.170 56.400 0.048 0.000 0.903 646 E CB 0.319 30.013 29.700 -0.009 0.000 0.963 646 E HN 0.546 nan 8.360 nan 0.000 0.432 647 N N 2.451 121.278 118.700 0.213 0.000 2.725 647 N HA -0.287 4.449 4.740 -0.006 0.000 0.251 647 N C -1.497 174.121 175.510 0.180 0.000 1.031 647 N CA 0.583 53.756 53.050 0.205 0.000 0.720 647 N CB -1.566 37.055 38.487 0.224 0.000 0.930 647 N HN 0.484 nan 8.380 nan 0.000 0.543 648 Y N 1.414 121.733 120.300 0.033 0.000 2.721 648 Y HA 0.134 4.680 4.550 -0.007 0.000 0.329 648 Y C 1.139 177.065 175.900 0.043 0.000 1.211 648 Y CA 0.655 58.759 58.100 0.007 0.000 1.512 648 Y CB 0.296 38.728 38.460 -0.047 0.000 1.249 648 Y HN 0.379 nan 8.280 nan 0.000 0.549 649 R N 2.454 122.637 120.500 -0.530 0.000 2.762 649 R HA 0.476 4.812 4.340 -0.006 0.000 0.271 649 R C -0.361 175.607 176.300 -0.553 0.000 1.038 649 R CA -0.601 55.254 56.100 -0.409 0.000 0.906 649 R CB 0.335 30.581 30.300 -0.090 0.000 1.259 649 R HN 0.349 nan 8.270 nan 0.000 0.457 650 V N 1.081 120.709 119.914 -0.477 0.000 2.282 650 V HA -0.301 3.815 4.120 -0.006 0.000 0.249 650 V C 2.592 178.562 176.094 -0.207 0.000 1.057 650 V CA 2.862 64.939 62.300 -0.371 0.000 1.032 650 V CB -0.845 30.729 31.823 -0.414 0.000 0.645 650 V HN 0.936 nan 8.190 nan 0.000 0.447 651 S N 0.076 115.679 115.700 -0.162 0.000 2.399 651 S HA -0.190 4.276 4.470 -0.006 0.000 0.231 651 S C 1.921 176.477 174.600 -0.073 0.000 1.022 651 S CA 1.748 59.884 58.200 -0.105 0.000 0.983 651 S CB -0.541 62.629 63.200 -0.049 0.000 0.803 651 S HN 0.401 nan 8.310 nan 0.000 0.480 652 L N 1.854 123.036 121.223 -0.069 0.000 2.109 652 L HA 0.345 4.681 4.340 -0.006 0.000 0.207 652 L C 2.653 179.526 176.870 0.006 0.000 1.086 652 L CA 1.339 56.178 54.840 -0.002 0.000 0.760 652 L CB -1.243 40.869 42.059 0.089 0.000 0.910 652 L HN 0.346 nan 8.230 nan 0.000 0.437 653 A N -0.622 122.174 122.820 -0.040 0.000 1.933 653 A HA -0.230 4.086 4.320 -0.006 0.000 0.218 653 A C 2.115 179.755 177.584 0.094 0.000 1.175 653 A CA 1.806 53.898 52.037 0.091 0.000 0.628 653 A CB -0.608 18.430 19.000 0.062 0.000 0.814 653 A HN 0.598 nan 8.150 nan 0.000 0.444 654 E N -0.408 119.828 120.200 0.061 0.000 2.333 654 E HA -0.159 4.187 4.350 -0.006 0.000 0.198 654 E C 1.838 178.403 176.600 -0.058 0.000 1.007 654 E CA 1.147 57.542 56.400 -0.010 0.000 0.845 654 E CB -0.047 29.557 29.700 -0.161 0.000 0.766 654 E HN 0.627 nan 8.360 nan 0.000 0.507 655 K N 0.033 120.379 120.400 -0.090 0.000 2.141 655 K HA 0.033 4.349 4.320 -0.006 0.000 0.202 655 K C 2.156 178.546 176.600 -0.349 0.000 1.045 655 K CA 0.403 56.614 56.287 -0.126 0.000 0.971 655 K CB 0.012 32.449 32.500 -0.105 0.000 0.795 655 K HN -0.051 nan 8.250 nan 0.000 0.459 656 V N 1.985 121.596 119.914 -0.504 0.000 2.488 656 V HA -0.127 3.989 4.120 -0.006 0.000 0.246 656 V C 1.892 177.730 176.094 -0.426 0.000 1.046 656 V CA 1.220 62.997 62.300 -0.871 0.000 1.053 656 V CB -0.177 31.269 31.823 -0.629 0.000 0.679 656 V HN 0.240 nan 8.190 nan 0.000 0.458 657 I N 0.662 121.046 120.570 -0.309 0.000 2.179 657 I HA -0.134 4.032 4.170 -0.006 0.000 0.242 657 I C -0.249 175.754 176.117 -0.190 0.000 1.088 657 I CA 1.619 62.680 61.300 -0.400 0.000 1.357 657 I CB -1.523 36.124 38.000 -0.588 0.000 1.051 657 I HN 0.367 nan 8.210 nan 0.000 0.409 658 P HA -0.105 nan 4.420 nan 0.000 0.222 658 P C 0.991 178.286 177.300 -0.008 0.000 1.147 658 P CA 1.208 64.283 63.100 -0.042 0.000 0.790 658 P CB 0.053 31.736 31.700 -0.028 0.000 0.780 659 A N -1.202 121.594 122.820 -0.039 0.000 2.275 659 A HA 0.464 4.780 4.320 -0.006 0.000 0.212 659 A C 1.164 178.853 177.584 0.176 0.000 1.201 659 A CA 0.108 52.180 52.037 0.058 0.000 0.843 659 A CB -0.672 18.367 19.000 0.065 0.000 0.873 659 A HN 0.193 nan 8.150 nan 0.000 0.492 660 A N -0.208 122.714 122.820 0.169 0.000 2.340 660 A HA 0.485 4.802 4.320 -0.006 0.000 0.268 660 A C 0.354 178.083 177.584 0.241 0.000 1.100 660 A CA -0.148 52.052 52.037 0.272 0.000 0.803 660 A CB 0.378 19.629 19.000 0.418 0.000 1.043 660 A HN 0.261 nan 8.150 nan 0.000 0.488 661 D N 0.225 120.762 120.400 0.228 0.000 2.431 661 D HA 0.137 4.773 4.640 -0.006 0.000 0.235 661 D C 0.000 176.506 176.300 0.343 0.000 0.980 661 D CA 0.665 54.845 54.000 0.299 0.000 0.912 661 D CB 0.307 41.182 40.800 0.125 0.000 1.056 661 D HN 0.360 nan 8.370 nan 0.000 0.494 662 L N 1.111 122.421 121.223 0.144 0.000 2.356 662 L HA 0.313 4.649 4.340 -0.006 0.000 0.277 662 L C -0.821 175.927 176.870 -0.204 0.000 0.996 662 L CA -0.304 54.547 54.840 0.019 0.000 0.822 662 L CB 2.084 44.129 42.059 -0.022 0.000 1.256 662 L HN -0.181 nan 8.230 nan 0.000 0.413 663 S N 4.175 119.671 115.700 -0.341 0.000 2.422 663 S HA 0.328 4.794 4.470 -0.006 0.000 0.308 663 S C -0.428 173.908 174.600 -0.441 0.000 1.097 663 S CA -0.683 57.077 58.200 -0.734 0.000 1.099 663 S CB 0.644 63.372 63.200 -0.786 0.000 0.976 663 S HN 0.548 nan 8.310 nan 0.000 0.471 664 E N 4.111 124.058 120.200 -0.422 0.000 2.089 664 E HA 0.215 4.562 4.350 -0.006 0.000 0.284 664 E C -0.562 175.930 176.600 -0.180 0.000 1.023 664 E CA -0.409 55.868 56.400 -0.205 0.000 0.819 664 E CB 1.002 30.607 29.700 -0.157 0.000 1.076 664 E HN 0.590 nan 8.360 nan 0.000 0.396 665 Q N 2.792 122.543 119.800 -0.083 0.000 3.064 665 Q HA 0.271 4.607 4.340 -0.006 0.000 0.258 665 Q C 0.569 176.562 176.000 -0.013 0.000 0.972 665 Q CA -0.133 55.634 55.803 -0.060 0.000 0.761 665 Q CB 0.297 29.012 28.738 -0.037 0.000 1.281 665 Q HN 0.613 nan 8.270 nan 0.000 0.455 666 I N -1.575 118.975 120.570 -0.034 0.000 3.637 666 I HA 0.282 4.448 4.170 -0.006 0.000 0.342 666 I C 0.409 176.480 176.117 -0.077 0.000 1.545 666 I CA -0.666 60.623 61.300 -0.019 0.000 1.126 666 I CB 0.349 38.343 38.000 -0.010 0.000 1.375 666 I HN 0.005 nan 8.210 nan 0.000 0.467 667 S N 0.347 116.003 115.700 -0.074 0.000 2.584 667 S HA 0.218 4.685 4.470 -0.006 0.000 0.270 667 S C 0.558 175.143 174.600 -0.025 0.000 1.346 667 S CA -0.304 57.873 58.200 -0.039 0.000 1.018 667 S CB 0.469 63.700 63.200 0.051 0.000 0.899 667 S HN 0.387 nan 8.310 nan 0.000 0.542 668 T N 2.564 117.136 114.554 0.030 0.000 2.902 668 T HA 0.406 4.752 4.350 -0.006 0.000 0.301 668 T C 0.734 175.441 174.700 0.013 0.000 1.012 668 T CA 0.207 62.330 62.100 0.037 0.000 1.151 668 T CB 0.080 69.045 68.868 0.161 0.000 0.946 668 T HN 1.008 nan 8.240 nan 0.000 0.542 669 A N 2.601 125.398 122.820 -0.038 0.000 2.580 669 A HA 0.439 4.755 4.320 -0.006 0.000 0.244 669 A C 1.648 179.222 177.584 -0.017 0.000 1.045 669 A CA 0.330 52.340 52.037 -0.045 0.000 0.761 669 A CB -0.940 18.022 19.000 -0.063 0.000 0.962 669 A HN 1.730 nan 8.150 nan 0.000 0.512 670 G N 1.418 110.204 108.800 -0.022 0.000 2.175 670 G HA2 -0.245 3.711 3.960 -0.006 0.000 0.244 670 G HA3 -0.245 3.711 3.960 -0.006 0.000 0.244 670 G C 0.850 175.729 174.900 -0.035 0.000 0.982 670 G CA 1.167 46.255 45.100 -0.020 0.000 0.641 670 G HN 2.009 nan 8.290 nan 0.000 0.527 671 T N -2.607 111.918 114.554 -0.049 0.000 3.018 671 T HA 0.406 4.753 4.350 -0.006 0.000 0.246 671 T C 0.751 175.262 174.700 -0.316 0.000 1.026 671 T CA 1.025 63.017 62.100 -0.181 0.000 1.081 671 T CB 0.542 69.331 68.868 -0.133 0.000 0.970 671 T HN 0.266 nan 8.240 nan 0.000 0.475 672 E N 1.656 121.807 120.200 -0.081 0.000 1.996 672 E HA 0.657 5.003 4.350 -0.006 0.000 0.280 672 E C 1.205 177.742 176.600 -0.105 0.000 1.092 672 E CA 0.074 56.474 56.400 0.000 0.000 0.862 672 E CB 0.695 30.461 29.700 0.111 0.000 1.066 672 E HN 0.352 nan 8.360 nan 0.000 0.396 673 A N 3.415 126.096 122.820 -0.231 0.000 1.884 673 A HA -0.257 4.059 4.320 -0.006 0.000 0.219 673 A C 1.992 179.445 177.584 -0.219 0.000 1.197 673 A CA 2.415 54.184 52.037 -0.448 0.000 0.637 673 A CB -0.327 18.205 19.000 -0.779 0.000 0.827 673 A HN 0.609 nan 8.150 nan 0.000 0.450 674 S N -4.101 111.532 115.700 -0.112 0.000 3.984 674 S HA 0.459 4.925 4.470 -0.006 0.000 0.221 674 S C 0.628 175.216 174.600 -0.020 0.000 1.149 674 S CA 1.385 59.566 58.200 -0.031 0.000 0.950 674 S CB -0.016 63.191 63.200 0.013 0.000 1.216 674 S HN 2.322 nan 8.310 nan 0.000 0.547 675 G N 0.314 109.107 108.800 -0.012 0.000 2.719 675 G HA2 -0.013 3.943 3.960 -0.006 0.000 0.686 675 G HA3 -0.013 3.943 3.960 -0.006 0.000 0.686 675 G C 0.213 175.093 174.900 -0.033 0.000 1.201 675 G CA 0.459 45.550 45.100 -0.015 0.000 0.768 675 G HN 1.298 nan 8.290 nan 0.000 0.629 676 T N -1.852 112.669 114.554 -0.056 0.000 3.010 676 T HA 0.375 4.722 4.350 -0.006 0.000 0.253 676 T C 2.373 176.972 174.700 -0.168 0.000 0.939 676 T CA 1.270 63.309 62.100 -0.102 0.000 0.910 676 T CB 0.303 69.103 68.868 -0.113 0.000 1.226 676 T HN 1.890 nan 8.240 nan 0.000 0.508 677 G N 3.127 111.854 108.800 -0.122 0.000 2.442 677 G HA2 -0.269 3.687 3.960 -0.006 0.000 0.219 677 G HA3 -0.269 3.687 3.960 -0.006 0.000 0.219 677 G C 1.466 176.402 174.900 0.060 0.000 1.141 677 G CA 1.181 46.221 45.100 -0.099 0.000 0.763 677 G HN 0.833 nan 8.290 nan 0.000 0.554 678 N N 0.152 118.882 118.700 0.049 0.000 2.094 678 N HA -0.161 4.576 4.740 -0.006 0.000 0.191 678 N C 2.215 177.731 175.510 0.011 0.000 1.023 678 N CA 1.383 54.472 53.050 0.064 0.000 0.857 678 N CB -0.365 38.111 38.487 -0.019 0.000 1.013 678 N HN 0.348 nan 8.380 nan 0.000 0.426 679 M N 0.788 120.324 119.600 -0.106 0.000 2.175 679 M HA -0.033 4.443 4.480 -0.006 0.000 0.264 679 M C 2.009 178.259 176.300 -0.084 0.000 1.063 679 M CA 1.444 56.662 55.300 -0.136 0.000 1.119 679 M CB -0.084 32.443 32.600 -0.123 0.000 1.377 679 M HN 0.116 nan 8.290 nan 0.000 0.415 680 K N 0.042 120.321 120.400 -0.202 0.000 2.057 680 K HA -0.121 4.195 4.320 -0.006 0.000 0.207 680 K C 1.712 178.186 176.600 -0.209 0.000 1.049 680 K CA 1.415 57.514 56.287 -0.313 0.000 0.931 680 K CB -0.304 31.778 32.500 -0.696 0.000 0.714 680 K HN 0.159 nan 8.250 nan 0.000 0.440 681 F N 1.102 120.985 119.950 -0.112 0.000 2.146 681 F HA -0.115 4.408 4.527 -0.007 0.000 0.298 681 F C 2.564 178.339 175.800 -0.041 0.000 1.096 681 F CA 1.179 59.138 58.000 -0.069 0.000 1.275 681 F CB -0.306 38.643 39.000 -0.085 0.000 1.008 681 F HN -0.002 nan 8.300 nan 0.000 0.480 682 M N -0.478 119.208 119.600 0.143 0.000 2.159 682 M HA -0.180 4.296 4.480 -0.006 0.000 0.263 682 M C 2.023 178.379 176.300 0.093 0.000 1.063 682 M CA 1.548 56.905 55.300 0.094 0.000 1.110 682 M CB -0.196 32.458 32.600 0.090 0.000 1.374 682 M HN 0.261 nan 8.290 nan 0.000 0.411 683 L N 0.710 121.985 121.223 0.086 0.000 2.291 683 L HA -0.029 4.307 4.340 -0.006 0.000 0.214 683 L C 1.208 178.124 176.870 0.077 0.000 1.120 683 L CA 1.479 56.377 54.840 0.096 0.000 0.799 683 L CB -0.531 41.595 42.059 0.112 0.000 0.925 683 L HN 0.336 nan 8.230 nan 0.000 0.446 684 N N -0.099 118.636 118.700 0.060 0.000 2.251 684 N HA 0.180 4.916 4.740 -0.006 0.000 0.217 684 N C 0.814 176.361 175.510 0.061 0.000 1.124 684 N CA 0.773 53.852 53.050 0.049 0.000 0.843 684 N CB 0.568 39.062 38.487 0.012 0.000 1.024 684 N HN 0.384 nan 8.380 nan 0.000 0.501 685 G N 0.529 109.370 108.800 0.069 0.000 2.142 685 G HA2 -0.190 3.766 3.960 -0.006 0.000 0.225 685 G HA3 -0.190 3.766 3.960 -0.006 0.000 0.225 685 G C -0.053 174.918 174.900 0.119 0.000 1.015 685 G CA 0.142 45.285 45.100 0.072 0.000 0.716 685 G HN 0.524 nan 8.290 nan 0.000 0.508 686 A N -0.362 122.535 122.820 0.128 0.000 2.340 686 A HA 0.896 5.212 4.320 -0.006 0.000 0.331 686 A C 0.297 177.886 177.584 0.009 0.000 1.140 686 A CA -0.675 51.456 52.037 0.157 0.000 0.801 686 A CB 1.183 20.336 19.000 0.255 0.000 1.234 686 A HN 0.689 nan 8.150 nan 0.000 0.469 687 L N 0.733 121.926 121.223 -0.051 0.000 2.399 687 L HA 0.491 4.827 4.340 -0.006 0.000 0.265 687 L C 0.143 176.880 176.870 -0.221 0.000 1.089 687 L CA -0.388 54.311 54.840 -0.235 0.000 0.802 687 L CB 1.633 43.471 42.059 -0.369 0.000 1.180 687 L HN 0.704 nan 8.230 nan 0.000 0.454 688 T N 2.503 116.796 114.554 -0.435 0.000 2.807 688 T HA 0.476 4.822 4.350 -0.006 0.000 0.279 688 T C -0.487 174.110 174.700 -0.171 0.000 0.993 688 T CA -0.269 61.580 62.100 -0.418 0.000 0.970 688 T CB 1.646 70.086 68.868 -0.713 0.000 0.950 688 T HN 0.361 nan 8.240 nan 0.000 0.441 689 I N 2.851 123.407 120.570 -0.023 0.000 2.362 689 I HA 0.730 4.896 4.170 -0.006 0.000 0.289 689 I C 0.035 176.309 176.117 0.263 0.000 0.994 689 I CA 0.072 61.472 61.300 0.166 0.000 1.158 689 I CB 0.355 38.375 38.000 0.034 0.000 1.315 689 I HN 0.797 nan 8.210 nan 0.000 0.451 690 G N 3.919 112.949 108.800 0.385 0.000 2.559 690 G HA2 0.441 4.397 3.960 -0.006 0.000 0.291 690 G HA3 0.441 4.397 3.960 -0.006 0.000 0.291 690 G C -0.947 173.894 174.900 -0.097 0.000 1.424 690 G CA -0.374 44.864 45.100 0.230 0.000 0.786 690 G HN 0.576 nan 8.290 nan 0.000 0.485 691 T N -1.419 112.949 114.554 -0.311 0.000 2.874 691 T HA 0.517 4.863 4.350 -0.006 0.000 0.281 691 T C 0.730 175.317 174.700 -0.189 0.000 0.994 691 T CA -0.680 61.158 62.100 -0.437 0.000 1.015 691 T CB 1.158 69.779 68.868 -0.412 0.000 1.028 691 T HN 0.267 nan 8.240 nan 0.000 0.523 692 M N 2.910 122.408 119.600 -0.169 0.000 3.436 692 M HA 0.313 4.789 4.480 -0.006 0.000 0.240 692 M C -0.434 175.814 176.300 -0.087 0.000 1.469 692 M CA -0.022 55.215 55.300 -0.105 0.000 1.622 692 M CB -1.766 30.780 32.600 -0.090 0.000 1.098 692 M HN 0.731 nan 8.290 nan 0.000 0.568 693 D N -0.042 120.313 120.400 -0.076 0.000 2.601 693 D HA 0.679 5.315 4.640 -0.006 0.000 0.230 693 D C 0.712 176.989 176.300 -0.039 0.000 1.106 693 D CA 0.690 54.658 54.000 -0.053 0.000 0.873 693 D CB 1.756 42.525 40.800 -0.051 0.000 1.515 693 D HN 0.597 nan 8.370 nan 0.000 0.468 694 G N 1.619 110.404 108.800 -0.025 0.000 2.627 694 G HA2 -0.259 3.697 3.960 -0.006 0.000 0.312 694 G HA3 -0.259 3.697 3.960 -0.006 0.000 0.312 694 G C 1.061 175.952 174.900 -0.014 0.000 1.299 694 G CA 1.148 46.238 45.100 -0.017 0.000 0.989 694 G HN 1.060 nan 8.290 nan 0.000 0.547 695 A N -0.395 122.413 122.820 -0.019 0.000 2.168 695 A HA 0.046 4.363 4.320 -0.006 0.000 0.215 695 A C 2.137 179.659 177.584 -0.103 0.000 1.152 695 A CA 1.953 53.973 52.037 -0.028 0.000 0.716 695 A CB -0.473 18.498 19.000 -0.047 0.000 0.794 695 A HN 0.628 nan 8.150 nan 0.000 0.465 696 N N 0.488 119.135 118.700 -0.089 0.000 2.137 696 N HA -0.152 4.584 4.740 -0.006 0.000 0.190 696 N C 1.610 177.003 175.510 -0.195 0.000 1.017 696 N CA 1.613 54.604 53.050 -0.098 0.000 0.859 696 N CB -0.616 37.861 38.487 -0.017 0.000 1.002 696 N HN 0.297 nan 8.380 nan 0.000 0.428 697 V N 1.320 121.159 119.914 -0.124 0.000 2.287 697 V HA -0.216 3.900 4.120 -0.006 0.000 0.248 697 V C 1.972 177.994 176.094 -0.121 0.000 1.053 697 V CA 1.698 63.924 62.300 -0.124 0.000 1.027 697 V CB -0.502 31.281 31.823 -0.068 0.000 0.646 697 V HN 0.357 nan 8.190 nan 0.000 0.447 698 E N -0.579 119.600 120.200 -0.034 0.000 2.152 698 E HA -0.137 4.209 4.350 -0.006 0.000 0.192 698 E C 2.209 178.899 176.600 0.150 0.000 0.983 698 E CA 1.067 57.518 56.400 0.084 0.000 0.818 698 E CB -0.189 29.646 29.700 0.225 0.000 0.758 698 E HN 0.545 nan 8.360 nan 0.000 0.467 699 M N 0.520 120.091 119.600 -0.047 0.000 2.086 699 M HA -0.138 4.338 4.480 -0.006 0.000 0.261 699 M C 2.510 178.515 176.300 -0.492 0.000 1.067 699 M CA 1.553 56.738 55.300 -0.191 0.000 1.116 699 M CB -0.205 32.154 32.600 -0.403 0.000 1.348 699 M HN 0.137 nan 8.290 nan 0.000 0.407 700 A N -0.101 122.156 122.820 -0.940 0.000 1.933 700 A HA -0.223 4.093 4.320 -0.006 0.000 0.218 700 A C 1.990 179.358 177.584 -0.360 0.000 1.175 700 A CA 1.992 53.445 52.037 -0.974 0.000 0.628 700 A CB -0.820 17.716 19.000 -0.772 0.000 0.814 700 A HN 0.594 nan 8.150 nan 0.000 0.444 701 E N -0.461 119.606 120.200 -0.222 0.000 2.110 701 E HA -0.209 4.138 4.350 -0.006 0.000 0.193 701 E C 1.779 178.344 176.600 -0.059 0.000 0.988 701 E CA 1.219 57.556 56.400 -0.105 0.000 0.804 701 E CB -0.057 29.603 29.700 -0.066 0.000 0.745 701 E HN 0.554 nan 8.360 nan 0.000 0.458 702 E N 0.079 120.268 120.200 -0.019 0.000 2.046 702 E HA -0.116 4.230 4.350 -0.006 0.000 0.190 702 E C 1.849 178.465 176.600 0.027 0.000 0.982 702 E CA 1.139 57.553 56.400 0.024 0.000 0.800 702 E CB -0.153 29.616 29.700 0.114 0.000 0.756 702 E HN 0.357 nan 8.360 nan 0.000 0.449 703 A N 0.312 123.150 122.820 0.031 0.000 2.081 703 A HA 0.341 4.657 4.320 -0.006 0.000 0.214 703 A C 1.022 178.622 177.584 0.026 0.000 1.158 703 A CA 1.078 53.154 52.037 0.065 0.000 0.724 703 A CB 0.067 19.172 19.000 0.175 0.000 0.826 703 A HN 0.247 nan 8.150 nan 0.000 0.463 704 G N -0.441 108.346 108.800 -0.022 0.000 3.225 704 G HA2 -0.079 3.877 3.960 -0.006 0.000 0.686 704 G HA3 -0.079 3.877 3.960 -0.006 0.000 0.686 704 G C -0.039 174.844 174.900 -0.029 0.000 1.105 704 G CA -0.012 45.071 45.100 -0.028 0.000 0.831 704 G HN 0.243 nan 8.290 nan 0.000 0.578 705 E N 0.987 121.157 120.200 -0.049 0.000 2.219 705 E HA -0.194 4.152 4.350 -0.006 0.000 0.198 705 E C 1.972 178.558 176.600 -0.023 0.000 0.998 705 E CA 1.785 58.164 56.400 -0.034 0.000 0.818 705 E CB 0.080 29.758 29.700 -0.038 0.000 0.741 705 E HN 0.772 nan 8.360 nan 0.000 0.477 706 E N 0.631 120.805 120.200 -0.043 0.000 2.338 706 E HA -0.077 4.269 4.350 -0.006 0.000 0.197 706 E C 0.929 177.442 176.600 -0.146 0.000 1.007 706 E CA 0.575 56.926 56.400 -0.081 0.000 0.849 706 E CB -0.015 29.650 29.700 -0.058 0.000 0.774 706 E HN 0.164 nan 8.360 nan 0.000 0.506 707 N N -0.343 118.303 118.700 -0.091 0.000 2.251 707 N HA 0.148 4.884 4.740 -0.006 0.000 0.217 707 N C -0.936 174.501 175.510 -0.121 0.000 1.124 707 N CA 0.080 53.051 53.050 -0.133 0.000 0.843 707 N CB 0.406 38.873 38.487 -0.033 0.000 1.024 707 N HN 0.048 nan 8.380 nan 0.000 0.501 708 F N -0.450 119.285 119.950 -0.358 0.000 2.588 708 F HA 0.416 4.939 4.527 -0.007 0.000 0.314 708 F C -0.736 174.833 175.800 -0.385 0.000 1.069 708 F CA -1.111 56.715 58.000 -0.290 0.000 0.931 708 F CB 1.344 40.269 39.000 -0.127 0.000 1.260 708 F HN -0.224 nan 8.300 nan 0.000 0.465 709 F N 4.635 124.600 119.950 0.024 0.000 2.359 709 F HA 0.427 4.951 4.527 -0.006 0.000 0.355 709 F C -0.474 175.453 175.800 0.211 0.000 1.132 709 F CA -0.557 57.486 58.000 0.072 0.000 1.246 709 F CB -0.091 38.898 39.000 -0.018 0.000 1.569 709 F HN 0.014 nan 8.300 nan 0.000 0.561 710 I N 3.682 124.449 120.570 0.329 0.000 2.440 710 I HA 0.426 4.592 4.170 -0.006 0.000 0.294 710 I C -0.100 176.199 176.117 0.304 0.000 0.995 710 I CA -0.575 60.884 61.300 0.265 0.000 1.306 710 I CB 0.505 38.583 38.000 0.129 0.000 1.407 710 I HN 0.318 nan 8.210 nan 0.000 0.501 711 F N 2.654 122.668 119.950 0.106 0.000 2.745 711 F HA 0.939 5.461 4.527 -0.007 0.000 0.316 711 F C 0.122 175.962 175.800 0.066 0.000 1.155 711 F CA -0.718 57.336 58.000 0.089 0.000 0.937 711 F CB 0.815 39.882 39.000 0.111 0.000 1.361 711 F HN 0.897 nan 8.300 nan 0.000 0.472 712 G N 0.842 109.689 108.800 0.079 0.000 2.796 712 G HA2 -0.089 3.867 3.960 -0.006 0.000 0.571 712 G HA3 -0.089 3.867 3.960 -0.006 0.000 0.571 712 G C -0.849 174.014 174.900 -0.061 0.000 1.370 712 G CA -0.549 44.527 45.100 -0.041 0.000 0.856 712 G HN 0.947 nan 8.290 nan 0.000 0.538 713 M N 0.669 120.245 119.600 -0.039 0.000 2.248 713 M HA 0.290 4.766 4.480 -0.006 0.000 0.337 713 M C 1.169 177.432 176.300 -0.061 0.000 1.121 713 M CA 0.029 55.316 55.300 -0.022 0.000 1.155 713 M CB 0.363 32.961 32.600 -0.004 0.000 1.514 713 M HN 0.518 nan 8.290 nan 0.000 0.452 714 R N 1.306 121.784 120.500 -0.036 0.000 2.608 714 R HA 0.317 4.653 4.340 -0.006 0.000 0.255 714 R C 1.195 177.476 176.300 -0.033 0.000 1.086 714 R CA -0.592 55.482 56.100 -0.044 0.000 1.125 714 R CB 0.173 30.455 30.300 -0.030 0.000 1.193 714 R HN 0.575 nan 8.270 nan 0.000 0.553 715 V N 1.504 121.398 119.914 -0.034 0.000 2.324 715 V HA -0.273 3.843 4.120 -0.006 0.000 0.250 715 V C 1.795 177.879 176.094 -0.018 0.000 1.060 715 V CA 2.019 64.302 62.300 -0.027 0.000 1.042 715 V CB -0.464 31.341 31.823 -0.029 0.000 0.650 715 V HN 0.616 nan 8.190 nan 0.000 0.450 716 E N 0.161 120.352 120.200 -0.014 0.000 2.110 716 E HA -0.179 4.168 4.350 -0.006 0.000 0.193 716 E C 1.944 178.548 176.600 0.005 0.000 0.988 716 E CA 1.323 57.720 56.400 -0.005 0.000 0.804 716 E CB -0.416 29.282 29.700 -0.004 0.000 0.745 716 E HN 0.619 nan 8.360 nan 0.000 0.458 717 D N -0.195 120.210 120.400 0.008 0.000 2.144 717 D HA -0.090 4.546 4.640 -0.006 0.000 0.200 717 D C 1.962 178.277 176.300 0.025 0.000 0.978 717 D CA 0.770 54.785 54.000 0.024 0.000 0.833 717 D CB -0.081 40.736 40.800 0.028 0.000 0.961 717 D HN 0.061 nan 8.370 nan 0.000 0.470 718 V N 1.895 121.812 119.914 0.004 0.000 2.343 718 V HA -0.203 3.914 4.120 -0.006 0.000 0.247 718 V C 2.000 178.095 176.094 0.002 0.000 1.051 718 V CA 1.622 63.917 62.300 -0.008 0.000 1.036 718 V CB -0.362 31.446 31.823 -0.024 0.000 0.654 718 V HN 0.068 nan 8.190 nan 0.000 0.451 719 D N -0.016 120.385 120.400 0.002 0.000 2.097 719 D HA -0.160 4.477 4.640 -0.006 0.000 0.195 719 D C 2.401 178.714 176.300 0.022 0.000 0.989 719 D CA 1.285 55.288 54.000 0.006 0.000 0.827 719 D CB -0.245 40.555 40.800 0.000 0.000 0.966 719 D HN 0.378 nan 8.370 nan 0.000 0.456 720 R N 0.319 120.836 120.500 0.029 0.000 2.091 720 R HA -0.076 4.260 4.340 -0.006 0.000 0.238 720 R C 2.562 178.898 176.300 0.061 0.000 1.136 720 R CA 0.599 56.724 56.100 0.042 0.000 0.959 720 R CB -0.410 29.917 30.300 0.045 0.000 0.856 720 R HN 0.203 nan 8.270 nan 0.000 0.437 721 L N 0.641 121.910 121.223 0.076 0.000 2.083 721 L HA -0.208 4.128 4.340 -0.006 0.000 0.209 721 L C 1.553 178.491 176.870 0.113 0.000 1.083 721 L CA 1.350 56.262 54.840 0.120 0.000 0.752 721 L CB -0.265 41.878 42.059 0.140 0.000 0.899 721 L HN 0.250 nan 8.230 nan 0.000 0.433 722 D N -0.637 119.803 120.400 0.067 0.000 2.144 722 D HA -0.192 4.444 4.640 -0.006 0.000 0.200 722 D C 2.188 178.521 176.300 0.055 0.000 0.978 722 D CA 1.050 55.084 54.000 0.057 0.000 0.833 722 D CB -0.040 40.772 40.800 0.020 0.000 0.961 722 D HN 0.458 nan 8.370 nan 0.000 0.470 723 Q N 0.149 119.976 119.800 0.045 0.000 2.124 723 Q HA -0.110 4.226 4.340 -0.006 0.000 0.202 723 Q C 2.216 178.244 176.000 0.046 0.000 0.977 723 Q CA 0.878 56.703 55.803 0.038 0.000 0.850 723 Q CB 0.045 28.802 28.738 0.031 0.000 0.901 723 Q HN 0.157 nan 8.270 nan 0.000 0.429 724 R N -0.188 120.348 120.500 0.060 0.000 2.127 724 R HA 0.041 4.377 4.340 -0.006 0.000 0.217 724 R C -0.163 176.180 176.300 0.072 0.000 1.074 724 R CA 0.921 57.059 56.100 0.063 0.000 0.991 724 R CB 0.401 30.744 30.300 0.072 0.000 0.895 724 R HN 0.244 nan 8.270 nan 0.000 0.450 725 G N 0.336 109.195 108.800 0.097 0.000 3.444 725 G HA2 -0.241 3.715 3.960 -0.006 0.000 0.685 725 G HA3 -0.241 3.715 3.960 -0.006 0.000 0.685 725 G C -1.413 173.586 174.900 0.165 0.000 1.145 725 G CA -0.403 44.763 45.100 0.110 0.000 0.973 725 G HN 0.269 nan 8.290 nan 0.000 0.525 726 Y N 3.837 124.175 120.300 0.063 0.000 2.480 726 Y HA 0.533 5.079 4.550 -0.006 0.000 0.341 726 Y C 0.338 176.300 175.900 0.102 0.000 1.031 726 Y CA -0.884 57.272 58.100 0.093 0.000 1.295 726 Y CB 0.887 39.382 38.460 0.057 0.000 1.162 726 Y HN 0.550 nan 8.280 nan 0.000 0.523 727 N N 5.283 123.769 118.700 -0.357 0.000 2.569 727 N HA 0.262 4.998 4.740 -0.006 0.000 0.254 727 N C 0.250 175.522 175.510 -0.397 0.000 1.004 727 N CA 0.390 53.247 53.050 -0.323 0.000 0.904 727 N CB 1.518 39.942 38.487 -0.104 0.000 1.165 727 N HN 0.880 nan 8.380 nan 0.000 0.513 728 A N 3.048 125.528 122.820 -0.567 0.000 1.978 728 A HA -0.224 4.093 4.320 -0.006 0.000 0.220 728 A C 1.914 179.630 177.584 0.221 0.000 1.170 728 A CA 1.504 53.439 52.037 -0.169 0.000 0.636 728 A CB -0.355 18.462 19.000 -0.305 0.000 0.810 728 A HN 0.730 nan 8.150 nan 0.000 0.448 729 Q N 0.233 120.059 119.800 0.043 0.000 2.152 729 Q HA -0.245 4.092 4.340 -0.006 0.000 0.206 729 Q C 1.883 177.962 176.000 0.132 0.000 0.985 729 Q CA 2.366 58.210 55.803 0.070 0.000 0.863 729 Q CB -0.384 28.349 28.738 -0.009 0.000 0.904 729 Q HN 0.786 nan 8.270 nan 0.000 0.422 730 E N -1.431 118.795 120.200 0.044 0.000 2.058 730 E HA -0.242 4.105 4.350 -0.006 0.000 0.194 730 E C 1.585 178.130 176.600 -0.092 0.000 0.997 730 E CA 1.493 57.849 56.400 -0.074 0.000 0.801 730 E CB -0.244 29.318 29.700 -0.230 0.000 0.746 730 E HN 0.594 nan 8.360 nan 0.000 0.450 731 Y N -1.049 119.321 120.300 0.117 0.000 2.200 731 Y HA -0.205 4.341 4.550 -0.006 0.000 0.290 731 Y C 2.228 178.129 175.900 0.002 0.000 1.137 731 Y CA 1.521 59.675 58.100 0.090 0.000 1.163 731 Y CB -0.695 37.869 38.460 0.173 0.000 0.988 731 Y HN 0.248 nan 8.280 nan 0.000 0.518 732 Y N 1.322 121.655 120.300 0.055 0.000 2.165 732 Y HA -0.257 4.290 4.550 -0.006 0.000 0.286 732 Y C 1.761 177.628 175.900 -0.056 0.000 1.155 732 Y CA 1.831 59.884 58.100 -0.079 0.000 1.164 732 Y CB -0.391 38.075 38.460 0.010 0.000 0.978 732 Y HN 0.084 nan 8.280 nan 0.000 0.513 733 D N -0.274 120.243 120.400 0.194 0.000 2.224 733 D HA -0.077 4.559 4.640 -0.006 0.000 0.205 733 D C 1.725 178.010 176.300 -0.026 0.000 0.965 733 D CA 1.120 55.172 54.000 0.086 0.000 0.852 733 D CB -0.108 40.754 40.800 0.104 0.000 0.947 733 D HN 0.492 nan 8.370 nan 0.000 0.494 734 R N -0.126 120.354 120.500 -0.034 0.000 2.362 734 R HA 0.300 4.636 4.340 -0.006 0.000 0.227 734 R C 0.340 176.617 176.300 -0.038 0.000 0.905 734 R CA 0.062 56.138 56.100 -0.040 0.000 1.067 734 R CB 1.187 31.459 30.300 -0.046 0.000 1.078 734 R HN 0.128 nan 8.270 nan 0.000 0.516 735 I N 1.915 122.442 120.570 -0.072 0.000 2.495 735 I HA 0.222 4.389 4.170 -0.006 0.000 0.277 735 I C -1.972 174.049 176.117 -0.159 0.000 1.045 735 I CA -2.353 58.907 61.300 -0.065 0.000 1.135 735 I CB 2.207 40.199 38.000 -0.014 0.000 1.241 735 I HN -0.296 nan 8.210 nan 0.000 0.469 736 P HA -0.202 nan 4.420 nan 0.000 0.216 736 P C 1.173 178.376 177.300 -0.161 0.000 1.157 736 P CA 1.537 64.548 63.100 -0.149 0.000 0.880 736 P CB 0.299 31.946 31.700 -0.089 0.000 0.791 737 E N -1.154 118.987 120.200 -0.097 0.000 2.110 737 E HA -0.168 4.178 4.350 -0.006 0.000 0.193 737 E C 1.891 178.382 176.600 -0.181 0.000 0.988 737 E CA 0.682 57.036 56.400 -0.076 0.000 0.804 737 E CB -0.601 29.126 29.700 0.046 0.000 0.745 737 E HN 0.125 nan 8.360 nan 0.000 0.458 738 L N 1.292 122.319 121.223 -0.327 0.000 2.056 738 L HA -0.133 4.203 4.340 -0.006 0.000 0.207 738 L C 2.378 178.965 176.870 -0.471 0.000 1.078 738 L CA 1.636 56.117 54.840 -0.598 0.000 0.749 738 L CB -0.312 41.252 42.059 -0.826 0.000 0.901 738 L HN -0.085 nan 8.230 nan 0.000 0.433 739 R N -0.740 119.453 120.500 -0.511 0.000 2.083 739 R HA -0.262 4.074 4.340 -0.006 0.000 0.237 739 R C 2.396 178.511 176.300 -0.309 0.000 1.137 739 R CA 2.111 57.819 56.100 -0.653 0.000 0.951 739 R CB -0.397 29.455 30.300 -0.747 0.000 0.851 739 R HN 0.645 nan 8.270 nan 0.000 0.434 740 Q N 0.466 120.127 119.800 -0.231 0.000 2.061 740 Q HA -0.191 4.145 4.340 -0.006 0.000 0.204 740 Q C 2.091 178.026 176.000 -0.109 0.000 0.984 740 Q CA 2.073 57.789 55.803 -0.145 0.000 0.846 740 Q CB -0.150 28.508 28.738 -0.133 0.000 0.902 740 Q HN 0.493 nan 8.270 nan 0.000 0.421 741 I N 0.653 121.152 120.570 -0.118 0.000 2.179 741 I HA -0.286 3.880 4.170 -0.006 0.000 0.242 741 I C 2.171 178.291 176.117 0.004 0.000 1.088 741 I CA 0.719 61.984 61.300 -0.058 0.000 1.357 741 I CB -0.342 37.602 38.000 -0.094 0.000 1.051 741 I HN 0.328 nan 8.210 nan 0.000 0.409 742 I N 0.834 121.406 120.570 0.002 0.000 2.286 742 I HA -0.237 3.930 4.170 -0.006 0.000 0.248 742 I C 2.441 178.644 176.117 0.143 0.000 1.115 742 I CA 1.664 63.036 61.300 0.120 0.000 1.392 742 I CB -1.223 36.932 38.000 0.258 0.000 1.065 742 I HN 0.357 nan 8.210 nan 0.000 0.418 743 E N 0.290 120.553 120.200 0.106 0.000 2.106 743 E HA -0.210 4.136 4.350 -0.006 0.000 0.192 743 E C 2.142 178.800 176.600 0.096 0.000 0.984 743 E CA 0.768 57.231 56.400 0.104 0.000 0.806 743 E CB -0.089 29.648 29.700 0.062 0.000 0.750 743 E HN 0.589 nan 8.360 nan 0.000 0.458 744 Q N 0.520 120.355 119.800 0.058 0.000 2.079 744 Q HA -0.120 4.217 4.340 -0.006 0.000 0.200 744 Q C 2.358 178.506 176.000 0.247 0.000 0.974 744 Q CA 0.957 56.799 55.803 0.065 0.000 0.840 744 Q CB -0.044 28.611 28.738 -0.139 0.000 0.898 744 Q HN 0.295 nan 8.270 nan 0.000 0.430 745 L N -0.004 121.376 121.223 0.262 0.000 2.017 745 L HA -0.195 4.141 4.340 -0.006 0.000 0.208 745 L C 2.455 179.498 176.870 0.289 0.000 1.073 745 L CA 1.064 56.091 54.840 0.311 0.000 0.745 745 L CB -0.396 41.772 42.059 0.181 0.000 0.894 745 L HN 0.145 nan 8.230 nan 0.000 0.432 746 S N -0.281 115.545 115.700 0.209 0.000 2.368 746 S HA -0.154 4.312 4.470 -0.006 0.000 0.224 746 S C 2.100 176.795 174.600 0.158 0.000 1.029 746 S CA 1.489 59.793 58.200 0.173 0.000 0.988 746 S CB -0.256 63.027 63.200 0.138 0.000 0.838 746 S HN 0.607 nan 8.310 nan 0.000 0.462 747 S N 0.600 116.394 115.700 0.157 0.000 2.515 747 S HA 0.253 4.719 4.470 -0.006 0.000 0.231 747 S C 1.482 176.163 174.600 0.136 0.000 0.987 747 S CA 0.813 59.092 58.200 0.132 0.000 0.936 747 S CB -0.263 63.012 63.200 0.125 0.000 0.766 747 S HN 0.858 nan 8.310 nan 0.000 0.528 748 G N 0.433 109.346 108.800 0.188 0.000 2.134 748 G HA2 -0.270 3.686 3.960 -0.006 0.000 0.209 748 G HA3 -0.270 3.686 3.960 -0.006 0.000 0.209 748 G C 0.174 175.158 174.900 0.141 0.000 0.993 748 G CA 0.109 45.310 45.100 0.167 0.000 0.669 748 G HN 0.513 nan 8.290 nan 0.000 0.519 749 F N 0.358 120.301 119.950 -0.010 0.000 2.202 749 F HA 0.197 4.720 4.527 -0.006 0.000 0.301 749 F C 1.756 177.337 175.800 -0.365 0.000 1.082 749 F CA 1.795 59.662 58.000 -0.222 0.000 1.313 749 F CB -0.049 38.740 39.000 -0.351 0.000 1.024 749 F HN 0.171 nan 8.300 nan 0.000 0.495 750 F N -0.344 119.787 119.950 0.301 0.000 2.664 750 F HA 0.222 4.745 4.527 -0.006 0.000 0.303 750 F C 0.587 176.511 175.800 0.206 0.000 1.092 750 F CA 0.226 58.352 58.000 0.211 0.000 1.305 750 F CB -0.127 38.988 39.000 0.193 0.000 1.054 750 F HN -0.015 nan 8.300 nan 0.000 0.565 751 S N -2.214 113.631 115.700 0.243 0.000 2.708 751 S HA 0.294 4.760 4.470 -0.006 0.000 0.141 751 S C -2.452 172.162 174.600 0.024 0.000 1.349 751 S CA -0.953 57.316 58.200 0.115 0.000 1.206 751 S CB 0.732 63.959 63.200 0.046 0.000 1.603 751 S HN -0.173 nan 8.310 nan 0.000 0.415 752 P HA -0.171 nan 4.420 nan 0.000 0.215 752 P C 1.275 178.556 177.300 -0.032 0.000 1.163 752 P CA 1.576 64.643 63.100 -0.054 0.000 0.894 752 P CB 0.082 31.725 31.700 -0.094 0.000 0.791 753 K N -1.102 119.281 120.400 -0.028 0.000 2.211 753 K HA -0.069 4.248 4.320 -0.006 0.000 0.203 753 K C 0.723 177.314 176.600 -0.015 0.000 1.050 753 K CA 0.953 57.227 56.287 -0.020 0.000 0.945 753 K CB -0.100 32.391 32.500 -0.017 0.000 0.732 753 K HN 0.358 nan 8.250 nan 0.000 0.451 754 Q N -0.224 119.565 119.800 -0.019 0.000 2.907 754 Q HA 0.154 4.490 4.340 -0.006 0.000 0.262 754 Q C -2.363 173.621 176.000 -0.026 0.000 0.997 754 Q CA -1.625 54.162 55.803 -0.027 0.000 0.797 754 Q CB 1.555 30.267 28.738 -0.042 0.000 1.228 754 Q HN -0.080 nan 8.270 nan 0.000 0.466 755 P HA -0.241 nan 4.420 nan 0.000 0.217 755 P C 0.580 177.910 177.300 0.049 0.000 1.151 755 P CA 1.606 64.727 63.100 0.034 0.000 0.849 755 P CB 0.192 31.911 31.700 0.032 0.000 0.787 756 D N -1.729 118.685 120.400 0.023 0.000 2.388 756 D HA 0.003 4.639 4.640 -0.006 0.000 0.221 756 D C 1.495 177.790 176.300 -0.009 0.000 1.133 756 D CA -0.305 53.717 54.000 0.036 0.000 0.831 756 D CB -0.868 39.955 40.800 0.039 0.000 0.962 756 D HN 0.012 nan 8.370 nan 0.000 0.502 757 L N -0.139 121.013 121.223 -0.119 0.000 2.043 757 L HA -0.038 4.298 4.340 -0.006 0.000 0.212 757 L C 1.026 177.675 176.870 -0.368 0.000 1.075 757 L CA 1.699 56.352 54.840 -0.312 0.000 0.752 757 L CB -0.630 41.060 42.059 -0.614 0.000 0.891 757 L HN 0.022 nan 8.230 nan 0.000 0.432 758 F N -0.395 119.607 119.950 0.086 0.000 2.730 758 F HA 0.147 4.670 4.527 -0.006 0.000 0.295 758 F C 1.829 177.676 175.800 0.078 0.000 1.143 758 F CA -0.151 57.890 58.000 0.068 0.000 1.367 758 F CB -0.353 38.675 39.000 0.047 0.000 0.970 758 F HN 0.119 nan 8.300 nan 0.000 0.514 759 K N -0.353 120.157 120.400 0.183 0.000 2.097 759 K HA -0.178 4.138 4.320 -0.006 0.000 0.206 759 K C 0.963 177.657 176.600 0.157 0.000 1.049 759 K CA 1.925 58.303 56.287 0.152 0.000 0.933 759 K CB -0.245 32.321 32.500 0.110 0.000 0.717 759 K HN 0.105 nan 8.250 nan 0.000 0.442 760 D N 1.358 121.867 120.400 0.181 0.000 2.117 760 D HA -0.092 4.544 4.640 -0.006 0.000 0.197 760 D C 2.094 178.495 176.300 0.169 0.000 0.987 760 D CA 1.156 55.275 54.000 0.198 0.000 0.829 760 D CB -0.123 40.843 40.800 0.277 0.000 0.961 760 D HN 0.312 nan 8.370 nan 0.000 0.460 761 I N 0.635 121.307 120.570 0.170 0.000 2.179 761 I HA -0.217 3.949 4.170 -0.006 0.000 0.242 761 I C 2.464 178.617 176.117 0.059 0.000 1.088 761 I CA 0.632 61.997 61.300 0.107 0.000 1.357 761 I CB -0.185 37.875 38.000 0.101 0.000 1.051 761 I HN -0.119 nan 8.210 nan 0.000 0.409 762 V N 1.169 121.135 119.914 0.087 0.000 2.343 762 V HA -0.293 3.823 4.120 -0.006 0.000 0.247 762 V C 2.239 178.311 176.094 -0.037 0.000 1.051 762 V CA 2.345 64.675 62.300 0.051 0.000 1.036 762 V CB -0.961 30.918 31.823 0.093 0.000 0.654 762 V HN 0.480 nan 8.190 nan 0.000 0.451 763 N N 0.001 118.703 118.700 0.003 0.000 2.069 763 N HA -0.221 4.515 4.740 -0.006 0.000 0.191 763 N C 1.867 177.215 175.510 -0.271 0.000 1.031 763 N CA 1.933 54.972 53.050 -0.018 0.000 0.852 763 N CB -0.305 38.254 38.487 0.120 0.000 1.018 763 N HN 0.327 nan 8.380 nan 0.000 0.423 764 M N -0.192 119.264 119.600 -0.239 0.000 2.086 764 M HA -0.109 4.367 4.480 -0.006 0.000 0.261 764 M C 1.514 177.602 176.300 -0.353 0.000 1.067 764 M CA 1.326 56.382 55.300 -0.407 0.000 1.116 764 M CB -0.725 31.884 32.600 0.016 0.000 1.348 764 M HN 0.235 nan 8.290 nan 0.000 0.407 765 L N 0.730 121.798 121.223 -0.259 0.000 2.042 765 L HA -0.213 4.123 4.340 -0.006 0.000 0.210 765 L C 2.450 178.976 176.870 -0.574 0.000 1.076 765 L CA 1.705 56.306 54.840 -0.399 0.000 0.749 765 L CB -0.982 40.909 42.059 -0.281 0.000 0.893 765 L HN 0.351 nan 8.230 nan 0.000 0.432 766 M N -2.123 117.191 119.600 -0.476 0.000 2.334 766 M HA -0.046 4.430 4.480 -0.006 0.000 0.266 766 M C 1.810 177.692 176.300 -0.697 0.000 1.082 766 M CA 1.305 56.251 55.300 -0.590 0.000 1.141 766 M CB -0.746 31.420 32.600 -0.724 0.000 1.380 766 M HN 0.326 nan 8.290 nan 0.000 0.440 767 H N -1.645 117.264 119.070 -0.269 0.000 2.927 767 H HA 0.189 4.741 4.556 -0.006 0.000 0.255 767 H C 0.032 175.301 175.328 -0.099 0.000 0.974 767 H CA 0.643 56.580 56.048 -0.185 0.000 1.199 767 H CB 0.291 29.984 29.762 -0.114 0.000 1.447 767 H HN 0.536 nan 8.280 nan 0.000 0.467 768 H N -1.283 117.840 119.070 0.088 0.000 2.695 768 H HA 0.290 4.842 4.556 -0.006 0.000 0.222 768 H C -1.347 174.002 175.328 0.034 0.000 1.412 768 H CA -0.748 55.341 56.048 0.068 0.000 1.347 768 H CB -0.137 29.667 29.762 0.070 0.000 1.858 768 H HN -0.117 nan 8.280 nan 0.000 0.519 769 D N 1.328 121.765 120.400 0.062 0.000 2.428 769 D HA 0.168 4.804 4.640 -0.006 0.000 0.221 769 D C 0.831 177.085 176.300 -0.077 0.000 1.123 769 D CA -0.550 53.460 54.000 0.017 0.000 0.869 769 D CB 0.783 41.563 40.800 -0.035 0.000 1.032 769 D HN 0.496 nan 8.370 nan 0.000 0.506 770 R N 2.307 122.668 120.500 -0.232 0.000 2.237 770 R HA -0.036 4.300 4.340 -0.006 0.000 0.219 770 R C 0.566 176.344 176.300 -0.869 0.000 1.080 770 R CA 0.868 56.615 56.100 -0.589 0.000 0.995 770 R CB 0.069 29.838 30.300 -0.885 0.000 0.875 770 R HN 0.413 nan 8.270 nan 0.000 0.462 771 F N 0.503 120.422 119.950 -0.051 0.000 2.639 771 F HA 0.256 4.779 4.527 -0.006 0.000 0.302 771 F C 0.060 175.739 175.800 -0.201 0.000 1.097 771 F CA -0.695 57.255 58.000 -0.083 0.000 1.294 771 F CB 0.125 39.138 39.000 0.022 0.000 1.027 771 F HN -0.246 nan 8.300 nan 0.000 0.550 772 K N -0.359 119.838 120.400 -0.338 0.000 3.278 772 K HA -0.186 4.130 4.320 -0.006 0.000 0.270 772 K C 1.023 177.508 176.600 -0.193 0.000 0.955 772 K CA 0.179 56.100 56.287 -0.610 0.000 0.723 772 K CB -1.812 30.238 32.500 -0.750 0.000 1.382 772 K HN 0.217 nan 8.250 nan 0.000 0.461 773 V N 0.074 119.956 119.914 -0.055 0.000 2.287 773 V HA -0.293 3.824 4.120 -0.006 0.000 0.248 773 V C 1.974 178.212 176.094 0.239 0.000 1.053 773 V CA 2.311 64.659 62.300 0.080 0.000 1.027 773 V CB -0.500 31.375 31.823 0.086 0.000 0.646 773 V HN 0.516 nan 8.190 nan 0.000 0.447 774 F N 0.236 120.187 119.950 0.003 0.000 2.171 774 F HA -0.209 4.314 4.527 -0.007 0.000 0.300 774 F C 2.555 178.147 175.800 -0.345 0.000 1.090 774 F CA 0.685 58.629 58.000 -0.093 0.000 1.293 774 F CB -0.443 38.506 39.000 -0.086 0.000 1.013 774 F HN 0.203 nan 8.300 nan 0.000 0.486 775 A N -0.381 122.268 122.820 -0.285 0.000 2.024 775 A HA -0.217 4.099 4.320 -0.006 0.000 0.220 775 A C 1.468 179.055 177.584 0.004 0.000 1.164 775 A CA 2.032 53.840 52.037 -0.381 0.000 0.643 775 A CB -0.498 18.412 19.000 -0.151 0.000 0.806 775 A HN 0.265 nan 8.150 nan 0.000 0.451 776 D N -2.915 117.544 120.400 0.099 0.000 2.369 776 D HA 0.098 4.734 4.640 -0.006 0.000 0.211 776 D C 1.120 177.588 176.300 0.281 0.000 1.077 776 D CA -0.071 54.061 54.000 0.220 0.000 0.842 776 D CB -0.100 40.843 40.800 0.239 0.000 0.947 776 D HN 0.600 nan 8.370 nan 0.000 0.509 777 Y N 2.130 122.515 120.300 0.142 0.000 2.070 777 Y HA -0.228 4.318 4.550 -0.006 0.000 0.280 777 Y C 2.150 178.137 175.900 0.144 0.000 1.148 777 Y CA 1.908 60.100 58.100 0.154 0.000 1.125 777 Y CB 0.162 38.677 38.460 0.091 0.000 0.975 777 Y HN -0.115 nan 8.280 nan 0.000 0.492 778 E N -0.024 120.252 120.200 0.127 0.000 2.038 778 E HA -0.280 4.066 4.350 -0.006 0.000 0.195 778 E C 2.240 178.809 176.600 -0.051 0.000 1.000 778 E CA 1.671 58.068 56.400 -0.005 0.000 0.803 778 E CB -0.216 29.582 29.700 0.163 0.000 0.750 778 E HN 0.609 nan 8.360 nan 0.000 0.448 779 E N -0.438 119.811 120.200 0.083 0.000 2.153 779 E HA -0.208 4.138 4.350 -0.006 0.000 0.194 779 E C 1.901 178.501 176.600 0.001 0.000 0.988 779 E CA 0.759 57.229 56.400 0.116 0.000 0.811 779 E CB -0.084 29.777 29.700 0.269 0.000 0.746 779 E HN 0.264 nan 8.360 nan 0.000 0.466 780 Y N 0.871 120.992 120.300 -0.299 0.000 2.133 780 Y HA -0.215 4.331 4.550 -0.007 0.000 0.287 780 Y C 2.088 177.590 175.900 -0.663 0.000 1.134 780 Y CA 1.072 58.667 58.100 -0.842 0.000 1.133 780 Y CB -0.544 37.485 38.460 -0.718 0.000 0.987 780 Y HN -0.189 nan 8.280 nan 0.000 0.502 781 V N 0.490 120.042 119.914 -0.605 0.000 2.332 781 V HA -0.306 3.810 4.120 -0.006 0.000 0.248 781 V C 2.361 178.211 176.094 -0.406 0.000 1.055 781 V CA 2.313 64.265 62.300 -0.581 0.000 1.038 781 V CB -0.672 30.841 31.823 -0.516 0.000 0.651 781 V HN 0.205 nan 8.190 nan 0.000 0.450 782 K N -0.473 119.759 120.400 -0.279 0.000 2.026 782 K HA -0.181 4.135 4.320 -0.006 0.000 0.208 782 K C 2.254 178.752 176.600 -0.170 0.000 1.048 782 K CA 1.874 58.064 56.287 -0.162 0.000 0.929 782 K CB -1.052 31.405 32.500 -0.072 0.000 0.713 782 K HN 0.539 nan 8.250 nan 0.000 0.439 783 C N 0.805 119.977 119.300 -0.213 0.000 2.429 783 C HA -0.094 4.362 4.460 -0.006 0.000 0.277 783 C C 2.459 177.254 174.990 -0.325 0.000 1.262 783 C CA 0.764 59.683 59.018 -0.166 0.000 1.733 783 C CB -0.728 26.931 27.740 -0.134 0.000 2.010 783 C HN 0.474 nan 8.230 nan 0.000 0.483 784 Q N 0.419 119.888 119.800 -0.553 0.000 2.170 784 Q HA -0.168 4.168 4.340 -0.006 0.000 0.203 784 Q C 2.012 177.804 176.000 -0.348 0.000 0.976 784 Q CA 1.618 57.055 55.803 -0.611 0.000 0.858 784 Q CB -0.384 27.746 28.738 -1.013 0.000 0.907 784 Q HN 0.766 nan 8.270 nan 0.000 0.433 785 E N 0.175 120.230 120.200 -0.242 0.000 2.106 785 E HA -0.125 4.221 4.350 -0.006 0.000 0.192 785 E C 2.057 178.606 176.600 -0.084 0.000 0.984 785 E CA 0.486 56.808 56.400 -0.129 0.000 0.806 785 E CB -0.046 29.600 29.700 -0.090 0.000 0.750 785 E HN 0.272 nan 8.360 nan 0.000 0.458 786 R N 0.569 121.026 120.500 -0.073 0.000 2.115 786 R HA -0.076 4.260 4.340 -0.006 0.000 0.230 786 R C 2.409 178.707 176.300 -0.003 0.000 1.111 786 R CA 0.809 56.934 56.100 0.042 0.000 0.976 786 R CB -0.267 30.132 30.300 0.164 0.000 0.870 786 R HN 0.057 nan 8.270 nan 0.000 0.445 787 V N 0.565 120.280 119.914 -0.331 0.000 2.307 787 V HA -0.232 3.884 4.120 -0.006 0.000 0.245 787 V C 2.165 178.243 176.094 -0.027 0.000 1.045 787 V CA 1.968 63.970 62.300 -0.497 0.000 1.024 787 V CB -0.364 31.050 31.823 -0.682 0.000 0.651 787 V HN 0.279 nan 8.190 nan 0.000 0.449 788 S N 0.188 115.843 115.700 -0.076 0.000 2.382 788 S HA -0.173 4.293 4.470 -0.006 0.000 0.228 788 S C 2.194 176.851 174.600 0.097 0.000 1.027 788 S CA 1.373 59.567 58.200 -0.011 0.000 0.991 788 S CB -0.486 62.676 63.200 -0.064 0.000 0.823 788 S HN 0.651 nan 8.310 nan 0.000 0.469 789 A N 1.388 124.267 122.820 0.097 0.000 1.877 789 A HA 0.010 4.326 4.320 -0.006 0.000 0.216 789 A C 2.102 179.802 177.584 0.194 0.000 1.186 789 A CA 1.102 53.217 52.037 0.130 0.000 0.620 789 A CB -0.724 18.342 19.000 0.111 0.000 0.822 789 A HN 0.463 nan 8.150 nan 0.000 0.443 790 L N -2.065 119.333 121.223 0.292 0.000 2.093 790 L HA -0.148 4.188 4.340 -0.006 0.000 0.208 790 L C 2.461 179.616 176.870 0.475 0.000 1.085 790 L CA 1.625 56.709 54.840 0.407 0.000 0.755 790 L CB -0.350 42.050 42.059 0.567 0.000 0.904 790 L HN 0.590 nan 8.230 nan 0.000 0.435 791 Y N 0.957 121.414 120.300 0.262 0.000 2.403 791 Y HA -0.249 4.298 4.550 -0.005 0.000 0.291 791 Y C 2.317 178.158 175.900 -0.098 0.000 1.143 791 Y CA 1.511 59.505 58.100 -0.176 0.000 1.257 791 Y CB -0.069 38.072 38.460 -0.532 0.000 0.984 791 Y HN 0.080 nan 8.280 nan 0.000 0.550 792 K N -0.210 120.228 120.400 0.063 0.000 2.439 792 K HA -0.106 4.210 4.320 -0.006 0.000 0.197 792 K C 0.419 177.002 176.600 -0.028 0.000 1.041 792 K CA 0.641 56.945 56.287 0.029 0.000 0.970 792 K CB -0.048 32.519 32.500 0.112 0.000 0.773 792 K HN 0.054 nan 8.250 nan 0.000 0.479 793 N N 0.666 119.367 118.700 0.001 0.000 2.898 793 N HA 0.130 4.867 4.740 -0.006 0.000 0.245 793 N C -2.441 173.071 175.510 0.004 0.000 1.185 793 N CA -2.119 50.938 53.050 0.012 0.000 0.879 793 N CB 1.127 39.654 38.487 0.067 0.000 1.157 793 N HN -0.195 nan 8.380 nan 0.000 0.503 794 P HA -0.237 nan 4.420 nan 0.000 0.217 794 P C 1.418 178.728 177.300 0.017 0.000 1.162 794 P CA 1.412 64.439 63.100 -0.121 0.000 0.901 794 P CB 0.313 31.918 31.700 -0.158 0.000 0.793 795 R N -0.116 120.394 120.500 0.015 0.000 2.083 795 R HA -0.176 4.160 4.340 -0.006 0.000 0.237 795 R C 1.996 178.338 176.300 0.070 0.000 1.137 795 R CA 1.578 57.699 56.100 0.036 0.000 0.951 795 R CB -0.460 29.853 30.300 0.022 0.000 0.851 795 R HN 0.107 nan 8.270 nan 0.000 0.434 796 E N -0.097 120.154 120.200 0.085 0.000 2.152 796 E HA -0.209 4.137 4.350 -0.006 0.000 0.192 796 E C 1.602 178.278 176.600 0.127 0.000 0.983 796 E CA 0.638 57.092 56.400 0.089 0.000 0.818 796 E CB -0.403 29.347 29.700 0.084 0.000 0.758 796 E HN 0.538 nan 8.360 nan 0.000 0.467 797 W N 2.170 123.468 121.300 -0.002 0.000 2.355 797 W HA -0.155 4.500 4.660 -0.008 0.000 0.309 797 W C 1.549 178.076 176.519 0.014 0.000 1.206 797 W CA 1.947 59.308 57.345 0.026 0.000 1.284 797 W CB -0.420 29.032 29.460 -0.013 0.000 1.145 797 W HN 0.006 nan 8.180 nan 0.000 0.502 798 T N 1.344 116.049 114.554 0.252 0.000 2.788 798 T HA -0.164 4.182 4.350 -0.006 0.000 0.268 798 T C 1.855 176.569 174.700 0.023 0.000 1.044 798 T CA 1.672 63.848 62.100 0.127 0.000 1.139 798 T CB -0.272 68.650 68.868 0.090 0.000 0.867 798 T HN 0.176 nan 8.240 nan 0.000 0.454 799 R N 0.434 120.950 120.500 0.028 0.000 2.092 799 R HA 0.105 4.441 4.340 -0.006 0.000 0.231 799 R C 2.486 178.775 176.300 -0.019 0.000 1.119 799 R CA 1.132 57.246 56.100 0.022 0.000 0.970 799 R CB -0.324 29.995 30.300 0.031 0.000 0.864 799 R HN 0.370 nan 8.270 nan 0.000 0.440 800 M N 0.484 120.035 119.600 -0.082 0.000 2.200 800 M HA -0.120 4.356 4.480 -0.006 0.000 0.265 800 M C 1.895 178.100 176.300 -0.158 0.000 1.066 800 M CA 1.301 56.514 55.300 -0.146 0.000 1.127 800 M CB 0.221 32.670 32.600 -0.252 0.000 1.379 800 M HN -0.026 nan 8.290 nan 0.000 0.420 801 V N 0.916 120.719 119.914 -0.186 0.000 2.295 801 V HA -0.307 3.809 4.120 -0.006 0.000 0.246 801 V C 2.219 178.294 176.094 -0.032 0.000 1.049 801 V CA 1.946 64.168 62.300 -0.129 0.000 1.024 801 V CB -0.600 31.177 31.823 -0.076 0.000 0.648 801 V HN 0.508 nan 8.190 nan 0.000 0.447 802 I N -0.562 120.010 120.570 0.003 0.000 2.264 802 I HA -0.262 3.904 4.170 -0.006 0.000 0.248 802 I C 2.696 178.863 176.117 0.083 0.000 1.111 802 I CA 1.558 62.907 61.300 0.081 0.000 1.382 802 I CB -0.422 37.672 38.000 0.157 0.000 1.060 802 I HN 0.221 nan 8.210 nan 0.000 0.418 803 R N 0.407 120.932 120.500 0.043 0.000 2.148 803 R HA -0.098 4.238 4.340 -0.006 0.000 0.227 803 R C 2.008 178.342 176.300 0.057 0.000 1.103 803 R CA 1.029 57.154 56.100 0.042 0.000 0.983 803 R CB -0.341 29.968 30.300 0.014 0.000 0.874 803 R HN 0.532 nan 8.270 nan 0.000 0.451 804 N N 0.628 119.356 118.700 0.045 0.000 2.148 804 N HA -0.066 4.670 4.740 -0.006 0.000 0.186 804 N C 1.961 177.534 175.510 0.105 0.000 1.031 804 N CA 1.035 54.136 53.050 0.086 0.000 0.848 804 N CB -0.006 38.502 38.487 0.034 0.000 1.005 804 N HN 0.106 nan 8.380 nan 0.000 0.427 805 I N 1.715 122.333 120.570 0.081 0.000 2.208 805 I HA -0.260 3.906 4.170 -0.006 0.000 0.245 805 I C 2.475 178.647 176.117 0.091 0.000 1.097 805 I CA 0.994 62.347 61.300 0.088 0.000 1.363 805 I CB -0.375 37.669 38.000 0.075 0.000 1.051 805 I HN 0.098 nan 8.210 nan 0.000 0.413 806 A N 0.373 123.247 122.820 0.090 0.000 2.019 806 A HA -0.182 4.134 4.320 -0.006 0.000 0.219 806 A C 2.095 179.720 177.584 0.067 0.000 1.164 806 A CA 2.159 54.240 52.037 0.073 0.000 0.644 806 A CB -0.889 18.157 19.000 0.077 0.000 0.805 806 A HN 0.554 nan 8.150 nan 0.000 0.449 807 T N -2.948 111.660 114.554 0.090 0.000 3.174 807 T HA 0.198 4.544 4.350 -0.006 0.000 0.269 807 T C 1.083 175.876 174.700 0.155 0.000 1.017 807 T CA 0.620 62.776 62.100 0.093 0.000 0.899 807 T CB -0.178 68.744 68.868 0.090 0.000 1.077 807 T HN 0.482 nan 8.240 nan 0.000 0.552 808 S N 0.013 115.824 115.700 0.185 0.000 2.593 808 S HA 0.265 4.731 4.470 -0.006 0.000 0.217 808 S C 2.186 176.916 174.600 0.217 0.000 0.966 808 S CA 0.204 58.593 58.200 0.315 0.000 0.914 808 S CB -0.554 62.806 63.200 0.266 0.000 0.776 808 S HN 0.520 nan 8.310 nan 0.000 0.523 809 G N 2.842 111.690 108.800 0.081 0.000 2.469 809 G HA2 -0.305 3.652 3.960 -0.006 0.000 0.219 809 G HA3 -0.305 3.652 3.960 -0.006 0.000 0.219 809 G C 1.315 176.163 174.900 -0.088 0.000 1.150 809 G CA 1.071 46.183 45.100 0.021 0.000 0.763 809 G HN 0.613 nan 8.290 nan 0.000 0.561 810 K N -0.107 120.120 120.400 -0.289 0.000 2.281 810 K HA -0.034 4.282 4.320 -0.006 0.000 0.203 810 K C 1.219 177.471 176.600 -0.580 0.000 1.046 810 K CA 0.721 56.701 56.287 -0.512 0.000 0.938 810 K CB -0.279 31.750 32.500 -0.785 0.000 0.737 810 K HN 0.412 nan 8.250 nan 0.000 0.458 811 F N 0.936 120.915 119.950 0.049 0.000 2.664 811 F HA 0.127 4.649 4.527 -0.007 0.000 0.301 811 F C 0.791 176.637 175.800 0.076 0.000 1.126 811 F CA -0.574 57.462 58.000 0.060 0.000 1.373 811 F CB 0.378 39.410 39.000 0.054 0.000 1.042 811 F HN -0.111 nan 8.300 nan 0.000 0.535 812 S N 0.251 116.031 115.700 0.133 0.000 2.545 812 S HA 0.092 4.558 4.470 -0.006 0.000 0.275 812 S C 1.414 176.095 174.600 0.134 0.000 1.299 812 S CA -0.266 58.012 58.200 0.130 0.000 1.048 812 S CB 0.879 64.125 63.200 0.078 0.000 0.938 812 S HN 0.334 nan 8.310 nan 0.000 0.496 813 S N 3.176 118.981 115.700 0.174 0.000 2.507 813 S HA -0.069 4.397 4.470 -0.006 0.000 0.235 813 S C 0.905 175.558 174.600 0.088 0.000 0.988 813 S CA 0.642 58.965 58.200 0.206 0.000 0.944 813 S CB -0.310 63.087 63.200 0.328 0.000 0.762 813 S HN 0.786 nan 8.310 nan 0.000 0.526 814 D N 1.792 122.228 120.400 0.061 0.000 2.144 814 D HA -0.056 4.580 4.640 -0.006 0.000 0.200 814 D C 2.109 178.412 176.300 0.005 0.000 0.978 814 D CA 0.667 54.681 54.000 0.022 0.000 0.833 814 D CB -0.287 40.524 40.800 0.018 0.000 0.961 814 D HN 0.298 nan 8.370 nan 0.000 0.470 815 R N 0.900 121.405 120.500 0.009 0.000 2.075 815 R HA -0.070 4.266 4.340 -0.006 0.000 0.232 815 R C 1.830 178.119 176.300 -0.017 0.000 1.126 815 R CA 1.244 57.335 56.100 -0.016 0.000 0.963 815 R CB -0.733 29.545 30.300 -0.037 0.000 0.858 815 R HN 0.089 nan 8.270 nan 0.000 0.435 816 T N 2.261 116.827 114.554 0.019 0.000 2.652 816 T HA -0.115 4.232 4.350 -0.006 0.000 0.267 816 T C 1.921 176.618 174.700 -0.005 0.000 1.039 816 T CA 1.378 63.505 62.100 0.045 0.000 1.153 816 T CB -0.123 68.844 68.868 0.165 0.000 0.863 816 T HN 0.097 nan 8.240 nan 0.000 0.428 817 I N 1.689 122.180 120.570 -0.132 0.000 2.286 817 I HA -0.092 4.075 4.170 -0.006 0.000 0.248 817 I C 2.891 178.963 176.117 -0.075 0.000 1.115 817 I CA 0.917 62.108 61.300 -0.183 0.000 1.392 817 I CB -1.617 36.277 38.000 -0.176 0.000 1.065 817 I HN 0.194 nan 8.210 nan 0.000 0.418 818 A N 0.123 122.917 122.820 -0.044 0.000 1.972 818 A HA -0.224 4.092 4.320 -0.006 0.000 0.219 818 A C 2.242 179.782 177.584 -0.074 0.000 1.169 818 A CA 1.340 53.358 52.037 -0.032 0.000 0.635 818 A CB -0.497 18.490 19.000 -0.022 0.000 0.810 818 A HN 0.515 nan 8.150 nan 0.000 0.446 819 Q N -1.934 117.803 119.800 -0.105 0.000 2.083 819 Q HA -0.137 4.199 4.340 -0.006 0.000 0.198 819 Q C 1.882 177.709 176.000 -0.288 0.000 0.969 819 Q CA 1.485 57.185 55.803 -0.171 0.000 0.838 819 Q CB -0.274 28.353 28.738 -0.185 0.000 0.900 819 Q HN 0.822 nan 8.270 nan 0.000 0.436 820 Y N 0.641 120.646 120.300 -0.492 0.000 2.181 820 Y HA -0.265 4.281 4.550 -0.007 0.000 0.288 820 Y C 2.473 177.786 175.900 -0.977 0.000 1.146 820 Y CA 1.240 58.791 58.100 -0.915 0.000 1.164 820 Y CB -0.375 37.228 38.460 -1.430 0.000 0.982 820 Y HN 0.152 nan 8.280 nan 0.000 0.515 821 A N 0.361 122.947 122.820 -0.391 0.000 1.865 821 A HA -0.230 4.086 4.320 -0.006 0.000 0.217 821 A C 2.239 179.835 177.584 0.020 0.000 1.191 821 A CA 2.091 54.146 52.037 0.030 0.000 0.623 821 A CB -0.548 18.546 19.000 0.157 0.000 0.826 821 A HN 0.429 nan 8.150 nan 0.000 0.444 822 R N -0.626 119.848 120.500 -0.045 0.000 2.075 822 R HA -0.019 4.317 4.340 -0.006 0.000 0.226 822 R C 1.853 178.128 176.300 -0.041 0.000 1.114 822 R CA 1.399 57.485 56.100 -0.023 0.000 0.972 822 R CB -0.212 30.071 30.300 -0.029 0.000 0.869 822 R HN 0.662 nan 8.270 nan 0.000 0.437 823 E N -0.244 119.890 120.200 -0.109 0.000 2.400 823 E HA 0.069 4.415 4.350 -0.006 0.000 0.195 823 E C 1.463 178.009 176.600 -0.089 0.000 1.012 823 E CA 0.541 56.880 56.400 -0.102 0.000 0.875 823 E CB 0.477 30.089 29.700 -0.147 0.000 0.859 823 E HN 0.333 nan 8.360 nan 0.000 0.498 824 I N -1.185 119.297 120.570 -0.147 0.000 3.739 824 I HA 0.019 4.185 4.170 -0.006 0.000 0.272 824 I C 1.313 177.560 176.117 0.217 0.000 1.167 824 I CA -0.078 61.193 61.300 -0.049 0.000 1.386 824 I CB 0.223 38.049 38.000 -0.291 0.000 1.490 824 I HN 0.112 nan 8.210 nan 0.000 0.452 825 W N 1.654 123.048 121.300 0.158 0.000 2.658 825 W HA 0.310 4.966 4.660 -0.006 0.000 0.263 825 W C 1.465 178.025 176.519 0.067 0.000 1.274 825 W CA 0.826 58.246 57.345 0.126 0.000 1.343 825 W CB -1.105 28.417 29.460 0.102 0.000 1.106 825 W HN 0.324 nan 8.180 nan 0.000 0.615 826 G N 1.231 110.172 108.800 0.234 0.000 2.256 826 G HA2 -0.087 3.869 3.960 -0.006 0.000 0.272 826 G HA3 -0.087 3.869 3.960 -0.006 0.000 0.272 826 G C -0.349 174.626 174.900 0.125 0.000 1.076 826 G CA 0.238 45.419 45.100 0.134 0.000 0.882 826 G HN 0.465 nan 8.290 nan 0.000 0.497 827 V N -4.296 115.709 119.914 0.153 0.000 3.007 827 V HA 0.911 5.027 4.120 -0.006 0.000 0.311 827 V C -0.450 175.704 176.094 0.100 0.000 1.120 827 V CA -1.664 60.708 62.300 0.119 0.000 0.980 827 V CB 2.356 34.260 31.823 0.136 0.000 1.033 827 V HN 0.139 nan 8.190 nan 0.000 0.429 828 E N 3.949 124.191 120.200 0.070 0.000 2.174 828 E HA 0.515 4.861 4.350 -0.006 0.000 0.282 828 E C -2.518 174.118 176.600 0.060 0.000 0.992 828 E CA -1.804 54.630 56.400 0.056 0.000 0.803 828 E CB 1.842 31.567 29.700 0.042 0.000 1.090 828 E HN 0.774 nan 8.360 nan 0.000 0.396 829 P HA 0.097 nan 4.420 nan 0.000 0.275 829 P C -0.464 176.864 177.300 0.048 0.000 1.228 829 P CA -0.302 62.832 63.100 0.056 0.000 0.786 829 P CB 1.093 32.821 31.700 0.048 0.000 0.927 830 S N 1.283 117.014 115.700 0.052 0.000 2.526 830 S HA 0.390 4.856 4.470 -0.006 0.000 0.293 830 S C 0.460 175.086 174.600 0.044 0.000 1.092 830 S CA -0.753 57.476 58.200 0.049 0.000 0.980 830 S CB 1.047 64.284 63.200 0.062 0.000 1.048 830 S HN 0.288 nan 8.310 nan 0.000 0.483 831 R N 2.115 122.636 120.500 0.036 0.000 2.432 831 R HA 0.220 4.557 4.340 -0.006 0.000 0.260 831 R C -0.231 176.082 176.300 0.023 0.000 0.935 831 R CA 0.009 56.129 56.100 0.032 0.000 1.080 831 R CB 0.301 30.619 30.300 0.030 0.000 1.155 831 R HN 0.687 nan 8.270 nan 0.000 0.531 832 Q N 1.104 120.917 119.800 0.022 0.000 2.304 832 Q HA 0.158 4.494 4.340 -0.006 0.000 0.260 832 Q C -0.255 175.741 176.000 -0.007 0.000 0.965 832 Q CA 0.021 55.830 55.803 0.010 0.000 0.898 832 Q CB 1.050 29.799 28.738 0.018 0.000 1.196 832 Q HN -0.222 nan 8.270 nan 0.000 0.402 833 R N 1.363 121.850 120.500 -0.023 0.000 2.679 833 R HA 0.329 4.665 4.340 -0.006 0.000 0.269 833 R C -0.420 175.840 176.300 -0.066 0.000 1.076 833 R CA -0.021 56.052 56.100 -0.045 0.000 1.160 833 R CB 0.445 30.715 30.300 -0.049 0.000 1.054 833 R HN 0.489 nan 8.270 nan 0.000 0.507 834 L N 3.786 124.953 121.223 -0.093 0.000 2.334 834 L HA 0.493 4.829 4.340 -0.006 0.000 0.275 834 L C -1.853 174.956 176.870 -0.102 0.000 1.036 834 L CA -2.275 52.480 54.840 -0.141 0.000 0.807 834 L CB 1.780 43.718 42.059 -0.202 0.000 1.231 834 L HN 0.463 nan 8.230 nan 0.000 0.438 835 P HA 0.062 nan 4.420 nan 0.000 0.267 835 P C -0.609 176.660 177.300 -0.052 0.000 1.209 835 P CA -0.133 62.930 63.100 -0.061 0.000 0.763 835 P CB 0.986 32.656 31.700 -0.050 0.000 0.816 836 A N 0.000 122.798 122.820 -0.036 0.000 2.254 836 A HA 0.000 4.316 4.320 -0.006 0.000 0.244 836 A CA 0.000 52.024 52.037 -0.022 0.000 0.836 836 A CB 0.000 18.990 19.000 -0.017 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486