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 2iei_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 FYGRVEHTSX DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPXX XXXXXXXXXX DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSXXXXXXXX XXXXFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVIP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYXVHINPNS 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 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 0.000 175.988 176.000 -0.021 0.000 1.003 12 Q CA 0.000 55.778 55.803 -0.041 0.000 1.022 12 Q CB 0.000 28.708 28.738 -0.050 0.000 1.108 13 I N 3.839 124.402 120.570 -0.013 0.000 2.315 13 I HA 0.200 4.367 4.170 -0.006 0.000 0.291 13 I C 1.143 177.264 176.117 0.007 0.000 1.006 13 I CA -0.076 61.226 61.300 0.002 0.000 1.265 13 I CB 1.777 39.782 38.000 0.008 0.000 1.387 13 I HN 0.450 nan 8.210 nan 0.000 0.475 14 S N 4.514 120.222 115.700 0.014 0.000 2.400 14 S HA -0.165 4.302 4.470 -0.006 0.000 0.232 14 S C 1.730 176.346 174.600 0.025 0.000 1.025 14 S CA 1.052 59.262 58.200 0.017 0.000 0.993 14 S CB -0.325 62.887 63.200 0.021 0.000 0.808 14 S HN 0.595 nan 8.310 nan 0.000 0.478 15 V N 2.284 122.221 119.914 0.038 0.000 2.626 15 V HA -0.005 4.112 4.120 -0.006 0.000 0.252 15 V C 2.072 178.191 176.094 0.041 0.000 1.067 15 V CA 1.399 63.728 62.300 0.049 0.000 1.081 15 V CB -0.624 31.239 31.823 0.067 0.000 0.686 15 V HN 0.517 nan 8.190 nan 0.000 0.468 16 R N 0.136 120.651 120.500 0.025 0.000 2.335 16 R HA 0.372 4.708 4.340 -0.006 0.000 0.223 16 R C 0.980 177.280 176.300 -0.001 0.000 0.940 16 R CA 0.559 56.667 56.100 0.014 0.000 1.086 16 R CB -0.080 30.224 30.300 0.007 0.000 1.073 16 R HN 0.584 nan 8.270 nan 0.000 0.504 17 G N 1.149 109.949 108.800 -0.001 0.000 2.632 17 G HA2 -0.267 3.689 3.960 -0.006 0.000 0.224 17 G HA3 -0.267 3.689 3.960 -0.006 0.000 0.224 17 G C -0.585 174.306 174.900 -0.014 0.000 1.341 17 G CA -0.891 44.201 45.100 -0.014 0.000 0.880 17 G HN 0.110 nan 8.290 nan 0.000 0.566 18 L N 0.194 121.406 121.223 -0.018 0.000 2.344 18 L HA 0.700 5.037 4.340 -0.006 0.000 0.272 18 L C 0.946 177.807 176.870 -0.015 0.000 1.035 18 L CA -0.273 54.559 54.840 -0.015 0.000 0.807 18 L CB 1.989 44.040 42.059 -0.012 0.000 1.237 18 L HN 1.266 nan 8.230 nan 0.000 0.442 19 A N 1.820 124.633 122.820 -0.012 0.000 3.218 19 A HA 0.551 4.868 4.320 -0.006 0.000 0.321 19 A C 0.377 177.959 177.584 -0.002 0.000 1.012 19 A CA -0.391 51.641 52.037 -0.009 0.000 0.948 19 A CB -0.158 18.833 19.000 -0.014 0.000 1.050 19 A HN 0.761 nan 8.150 nan 0.000 0.492 20 G N -0.350 108.450 108.800 0.001 0.000 2.491 20 G HA2 0.358 4.315 3.960 -0.006 0.000 0.238 20 G HA3 0.358 4.315 3.960 -0.006 0.000 0.238 20 G C 1.071 175.978 174.900 0.012 0.000 1.277 20 G CA 0.164 45.267 45.100 0.006 0.000 0.851 20 G HN 0.544 nan 8.290 nan 0.000 0.573 21 V N 1.499 121.420 119.914 0.012 0.000 2.231 21 V HA -0.201 3.915 4.120 -0.006 0.000 0.248 21 V C 2.587 178.693 176.094 0.020 0.000 1.054 21 V CA 2.193 64.502 62.300 0.015 0.000 1.015 21 V CB -0.607 31.224 31.823 0.013 0.000 0.638 21 V HN 0.686 nan 8.190 nan 0.000 0.444 22 E N 0.783 120.995 120.200 0.021 0.000 2.107 22 E HA -0.159 4.188 4.350 -0.006 0.000 0.191 22 E C 2.346 178.968 176.600 0.036 0.000 0.982 22 E CA 1.415 57.830 56.400 0.026 0.000 0.809 22 E CB -0.886 28.827 29.700 0.022 0.000 0.756 22 E HN 0.823 nan 8.360 nan 0.000 0.459 23 N N 1.210 119.932 118.700 0.036 0.000 2.142 23 N HA -0.110 4.627 4.740 -0.006 0.000 0.186 23 N C 2.238 177.779 175.510 0.051 0.000 1.023 23 N CA 1.553 54.631 53.050 0.048 0.000 0.852 23 N CB -0.778 37.729 38.487 0.034 0.000 0.998 23 N HN -0.030 nan 8.380 nan 0.000 0.424 24 V N 1.560 121.495 119.914 0.036 0.000 2.427 24 V HA -0.208 3.909 4.120 -0.006 0.000 0.248 24 V C 3.030 179.150 176.094 0.044 0.000 1.051 24 V CA 2.358 64.679 62.300 0.035 0.000 1.048 24 V CB -0.765 31.072 31.823 0.024 0.000 0.666 24 V HN 0.908 nan 8.190 nan 0.000 0.456 25 T N -2.953 111.627 114.554 0.042 0.000 2.904 25 T HA -0.130 4.217 4.350 -0.006 0.000 0.267 25 T C 1.723 176.460 174.700 0.061 0.000 1.059 25 T CA 1.006 63.132 62.100 0.044 0.000 1.137 25 T CB -0.169 68.719 68.868 0.033 0.000 0.879 25 T HN 0.370 nan 8.240 nan 0.000 0.467 26 E N 1.186 121.429 120.200 0.071 0.000 2.015 26 E HA -0.017 4.330 4.350 -0.006 0.000 0.191 26 E C 2.279 178.957 176.600 0.131 0.000 0.991 26 E CA 0.655 57.110 56.400 0.092 0.000 0.802 26 E CB -0.574 29.186 29.700 0.101 0.000 0.759 26 E HN 0.291 nan 8.360 nan 0.000 0.447 27 L N 1.461 122.774 121.223 0.150 0.000 2.034 27 L HA -0.297 4.040 4.340 -0.006 0.000 0.217 27 L C 2.699 179.688 176.870 0.199 0.000 1.077 27 L CA 2.821 57.773 54.840 0.186 0.000 0.769 27 L CB -1.671 40.464 42.059 0.128 0.000 0.890 27 L HN 0.191 nan 8.230 nan 0.000 0.435 28 K N 0.335 120.813 120.400 0.130 0.000 2.057 28 K HA -0.215 4.101 4.320 -0.006 0.000 0.207 28 K C 2.151 178.854 176.600 0.173 0.000 1.049 28 K CA 1.890 58.250 56.287 0.122 0.000 0.931 28 K CB -0.844 31.687 32.500 0.050 0.000 0.714 28 K HN 0.633 nan 8.250 nan 0.000 0.440 29 K N 0.152 120.630 120.400 0.129 0.000 2.057 29 K HA -0.138 4.179 4.320 -0.006 0.000 0.206 29 K C 1.597 178.271 176.600 0.123 0.000 1.050 29 K CA 1.560 57.912 56.287 0.108 0.000 0.935 29 K CB -0.152 32.389 32.500 0.069 0.000 0.715 29 K HN 0.303 nan 8.250 nan 0.000 0.439 30 N N 0.245 119.030 118.700 0.142 0.000 2.331 30 N HA -0.099 4.637 4.740 -0.006 0.000 0.180 30 N C 1.545 177.178 175.510 0.204 0.000 1.019 30 N CA 0.768 53.885 53.050 0.111 0.000 0.881 30 N CB -0.327 38.242 38.487 0.137 0.000 0.972 30 N HN 0.202 nan 8.380 nan 0.000 0.435 31 F N 2.546 122.589 119.950 0.155 0.000 2.075 31 F HA -0.116 4.408 4.527 -0.006 0.000 0.297 31 F C 1.912 177.813 175.800 0.167 0.000 1.113 31 F CA 1.361 59.472 58.000 0.187 0.000 1.218 31 F CB -0.155 38.934 39.000 0.148 0.000 0.984 31 F HN -0.031 nan 8.300 nan 0.000 0.472 32 N N 0.324 119.231 118.700 0.345 0.000 2.188 32 N HA -0.159 4.578 4.740 -0.006 0.000 0.184 32 N C 2.044 177.619 175.510 0.108 0.000 1.018 32 N CA 0.945 54.124 53.050 0.215 0.000 0.858 32 N CB -0.606 37.992 38.487 0.184 0.000 0.989 32 N HN 0.332 nan 8.380 nan 0.000 0.426 33 R N 0.465 121.026 120.500 0.103 0.000 2.094 33 R HA -0.165 4.172 4.340 -0.006 0.000 0.239 33 R C 1.824 178.194 176.300 0.117 0.000 1.137 33 R CA 1.467 57.645 56.100 0.130 0.000 0.943 33 R CB -0.255 30.044 30.300 -0.001 0.000 0.850 33 R HN 0.368 nan 8.270 nan 0.000 0.433 34 H N 0.175 119.275 119.070 0.051 0.000 2.353 34 H HA -0.139 4.414 4.556 -0.006 0.000 0.300 34 H C 2.046 177.284 175.328 -0.150 0.000 1.090 34 H CA 1.462 57.465 56.048 -0.075 0.000 1.327 34 H CB -0.261 29.407 29.762 -0.156 0.000 1.383 34 H HN 0.170 nan 8.280 nan 0.000 0.508 35 L N 0.360 121.546 121.223 -0.062 0.000 2.079 35 L HA -0.176 4.160 4.340 -0.006 0.000 0.210 35 L C 2.420 179.253 176.870 -0.063 0.000 1.081 35 L CA 1.739 56.514 54.840 -0.109 0.000 0.752 35 L CB -0.523 41.486 42.059 -0.085 0.000 0.896 35 L HN 0.206 nan 8.230 nan 0.000 0.433 36 H N -1.705 117.272 119.070 -0.155 0.000 2.276 36 H HA -0.064 4.488 4.556 -0.006 0.000 0.307 36 H C 1.766 176.885 175.328 -0.348 0.000 1.061 36 H CA 2.379 58.238 56.048 -0.316 0.000 1.336 36 H CB -0.256 29.202 29.762 -0.506 0.000 1.396 36 H HN 0.300 nan 8.280 nan 0.000 0.503 37 F N -0.716 119.198 119.950 -0.061 0.000 2.317 37 F HA 0.020 4.543 4.527 -0.006 0.000 0.293 37 F C 2.591 178.312 175.800 -0.131 0.000 1.085 37 F CA 1.271 59.197 58.000 -0.123 0.000 1.390 37 F CB -0.354 38.617 39.000 -0.047 0.000 1.077 37 F HN 0.144 nan 8.300 nan 0.000 0.517 38 T N 0.094 114.680 114.554 0.053 0.000 2.894 38 T HA 0.042 4.388 4.350 -0.006 0.000 0.258 38 T C 1.751 176.335 174.700 -0.193 0.000 1.043 38 T CA 0.802 62.841 62.100 -0.101 0.000 1.141 38 T CB -0.037 68.695 68.868 -0.227 0.000 0.873 38 T HN -0.027 nan 8.240 nan 0.000 0.449 39 L N 0.947 122.059 121.223 -0.184 0.000 2.590 39 L HA 0.286 4.623 4.340 -0.006 0.000 0.227 39 L C 0.717 177.492 176.870 -0.160 0.000 1.099 39 L CA 0.426 55.158 54.840 -0.181 0.000 0.872 39 L CB -0.596 41.361 42.059 -0.171 0.000 1.088 39 L HN 0.078 nan 8.230 nan 0.000 0.479 40 V N 0.456 120.258 119.914 -0.187 0.000 5.767 40 V HA -0.266 3.851 4.120 -0.006 0.000 0.311 40 V C 0.295 176.280 176.094 -0.182 0.000 0.532 40 V CA 0.984 63.151 62.300 -0.222 0.000 0.659 40 V CB -1.986 29.736 31.823 -0.167 0.000 0.353 40 V HN 0.385 nan 8.190 nan 0.000 1.082 41 K N -0.040 120.261 120.400 -0.164 0.000 2.477 41 K HA 0.764 5.081 4.320 -0.006 0.000 0.255 41 K C -0.025 176.548 176.600 -0.044 0.000 0.952 41 K CA 0.198 56.420 56.287 -0.109 0.000 0.826 41 K CB 2.101 34.521 32.500 -0.133 0.000 1.331 41 K HN 0.445 nan 8.250 nan 0.000 0.437 42 D N -0.235 120.154 120.400 -0.019 0.000 2.487 42 D HA 0.496 5.133 4.640 -0.006 0.000 0.262 42 D C 0.970 177.299 176.300 0.047 0.000 1.130 42 D CA 0.056 54.074 54.000 0.029 0.000 1.038 42 D CB 0.507 41.321 40.800 0.025 0.000 1.142 42 D HN 0.465 nan 8.370 nan 0.000 0.575 43 R N -0.451 120.103 120.500 0.090 0.000 2.323 43 R HA 0.067 4.404 4.340 -0.006 0.000 0.198 43 R C 1.303 177.676 176.300 0.123 0.000 0.988 43 R CA 0.946 57.139 56.100 0.155 0.000 1.041 43 R CB -0.901 29.489 30.300 0.151 0.000 0.926 43 R HN 0.559 nan 8.270 nan 0.000 0.476 44 N N -0.529 118.210 118.700 0.066 0.000 2.187 44 N HA 0.073 4.809 4.740 -0.006 0.000 0.212 44 N C 0.294 175.820 175.510 0.027 0.000 1.152 44 N CA 0.800 53.879 53.050 0.048 0.000 0.872 44 N CB 1.507 40.014 38.487 0.033 0.000 1.025 44 N HN 0.263 nan 8.380 nan 0.000 0.514 45 V N -0.549 119.370 119.914 0.009 0.000 3.359 45 V HA 0.419 4.536 4.120 -0.006 0.000 0.270 45 V C 0.105 176.162 176.094 -0.061 0.000 1.583 45 V CA -0.008 62.281 62.300 -0.019 0.000 1.019 45 V CB 0.432 32.239 31.823 -0.026 0.000 0.831 45 V HN 0.084 nan 8.190 nan 0.000 0.426 46 A N 2.254 125.011 122.820 -0.106 0.000 2.492 46 A HA 0.502 4.818 4.320 -0.006 0.000 0.254 46 A C 0.769 178.175 177.584 -0.296 0.000 1.091 46 A CA 0.807 52.670 52.037 -0.289 0.000 0.768 46 A CB -0.338 18.328 19.000 -0.556 0.000 1.028 46 A HN 0.800 nan 8.150 nan 0.000 0.498 47 T N 1.239 115.648 114.554 -0.241 0.000 2.868 47 T HA 0.371 4.717 4.350 -0.006 0.000 0.292 47 T C -1.820 172.805 174.700 -0.125 0.000 1.028 47 T CA -1.283 60.740 62.100 -0.129 0.000 1.059 47 T CB 0.642 69.457 68.868 -0.088 0.000 0.991 47 T HN 0.333 nan 8.240 nan 0.000 0.531 48 P HA -0.069 nan 4.420 nan 0.000 0.218 48 P C 1.613 178.970 177.300 0.095 0.000 1.148 48 P CA 0.859 64.062 63.100 0.171 0.000 0.822 48 P CB 0.052 31.817 31.700 0.109 0.000 0.784 49 R N -0.081 120.398 120.500 -0.035 0.000 2.075 49 R HA -0.129 4.207 4.340 -0.006 0.000 0.232 49 R C 1.754 178.029 176.300 -0.042 0.000 1.126 49 R CA 1.660 57.691 56.100 -0.114 0.000 0.963 49 R CB -0.677 29.483 30.300 -0.233 0.000 0.858 49 R HN 0.053 nan 8.270 nan 0.000 0.435 50 D N -0.352 120.021 120.400 -0.044 0.000 2.133 50 D HA -0.207 4.430 4.640 -0.006 0.000 0.195 50 D C 1.724 177.994 176.300 -0.050 0.000 0.997 50 D CA 1.411 55.380 54.000 -0.052 0.000 0.840 50 D CB -0.319 40.335 40.800 -0.243 0.000 0.947 50 D HN 0.297 nan 8.370 nan 0.000 0.452 51 Y N -0.113 120.244 120.300 0.096 0.000 2.181 51 Y HA -0.209 4.337 4.550 -0.006 0.000 0.288 51 Y C 2.320 178.340 175.900 0.201 0.000 1.146 51 Y CA 0.583 58.795 58.100 0.187 0.000 1.164 51 Y CB -1.105 37.535 38.460 0.301 0.000 0.982 51 Y HN 0.101 nan 8.280 nan 0.000 0.515 52 Y N -0.506 119.908 120.300 0.190 0.000 2.128 52 Y HA -0.294 4.252 4.550 -0.006 0.000 0.284 52 Y C 1.957 177.911 175.900 0.091 0.000 1.154 52 Y CA 1.318 59.469 58.100 0.085 0.000 1.149 52 Y CB -1.050 37.344 38.460 -0.109 0.000 0.976 52 Y HN 0.012 nan 8.280 nan 0.000 0.505 53 F N 0.422 120.199 119.950 -0.287 0.000 2.171 53 F HA -0.102 4.421 4.527 -0.005 0.000 0.300 53 F C 2.677 178.318 175.800 -0.265 0.000 1.090 53 F CA 1.069 58.839 58.000 -0.383 0.000 1.293 53 F CB -1.381 37.529 39.000 -0.151 0.000 1.013 53 F HN 0.219 nan 8.300 nan 0.000 0.486 54 A N -0.258 122.490 122.820 -0.119 0.000 1.902 54 A HA -0.161 4.155 4.320 -0.006 0.000 0.217 54 A C 2.168 179.629 177.584 -0.204 0.000 1.181 54 A CA 1.608 53.442 52.037 -0.339 0.000 0.623 54 A CB -1.107 17.405 19.000 -0.813 0.000 0.818 54 A HN 0.331 nan 8.150 nan 0.000 0.443 55 L N -0.238 120.992 121.223 0.012 0.000 2.027 55 L HA -0.008 4.329 4.340 -0.006 0.000 0.206 55 L C 2.685 179.613 176.870 0.096 0.000 1.074 55 L CA 2.150 57.157 54.840 0.277 0.000 0.745 55 L CB -0.935 41.389 42.059 0.440 0.000 0.898 55 L HN 0.348 nan 8.230 nan 0.000 0.433 56 A N -0.938 121.806 122.820 -0.126 0.000 1.903 56 A HA -0.329 3.988 4.320 -0.006 0.000 0.219 56 A C 2.150 179.455 177.584 -0.465 0.000 1.191 56 A CA 2.338 54.182 52.037 -0.322 0.000 0.638 56 A CB -1.180 17.372 19.000 -0.748 0.000 0.823 56 A HN 0.694 nan 8.150 nan 0.000 0.451 57 H N -0.861 117.914 119.070 -0.492 0.000 2.389 57 H HA -0.025 4.528 4.556 -0.006 0.000 0.299 57 H C 2.377 177.495 175.328 -0.350 0.000 1.081 57 H CA 1.824 57.498 56.048 -0.623 0.000 1.345 57 H CB -0.477 28.601 29.762 -1.140 0.000 1.393 57 H HN 0.465 nan 8.280 nan 0.000 0.520 58 T N -0.112 114.463 114.554 0.036 0.000 2.684 58 T HA -0.149 4.197 4.350 -0.006 0.000 0.267 58 T C 2.263 177.169 174.700 0.343 0.000 1.036 58 T CA 1.479 63.778 62.100 0.333 0.000 1.148 58 T CB -0.455 68.647 68.868 0.391 0.000 0.863 58 T HN 0.097 nan 8.240 nan 0.000 0.436 59 V N 2.297 122.365 119.914 0.257 0.000 2.379 59 V HA -0.152 3.964 4.120 -0.006 0.000 0.245 59 V C 2.626 178.910 176.094 0.316 0.000 1.044 59 V CA 1.940 64.415 62.300 0.290 0.000 1.036 59 V CB -0.665 31.343 31.823 0.308 0.000 0.664 59 V HN 0.521 nan 8.190 nan 0.000 0.453 60 R N 0.339 120.954 120.500 0.192 0.000 2.193 60 R HA -0.164 4.172 4.340 -0.006 0.000 0.229 60 R C 1.587 177.973 176.300 0.143 0.000 1.110 60 R CA 1.866 58.056 56.100 0.150 0.000 0.988 60 R CB -0.579 29.628 30.300 -0.155 0.000 0.871 60 R HN 0.378 nan 8.270 nan 0.000 0.458 61 D N 0.769 121.261 120.400 0.154 0.000 2.178 61 D HA -0.129 4.508 4.640 -0.006 0.000 0.201 61 D C 1.223 177.551 176.300 0.046 0.000 0.980 61 D CA 1.253 55.315 54.000 0.104 0.000 0.842 61 D CB -0.226 40.637 40.800 0.106 0.000 0.948 61 D HN 0.520 nan 8.370 nan 0.000 0.472 62 H N -0.720 118.411 119.070 0.103 0.000 2.547 62 H HA 0.061 4.614 4.556 -0.005 0.000 0.272 62 H C 1.573 176.942 175.328 0.069 0.000 0.989 62 H CA 0.195 56.290 56.048 0.079 0.000 1.214 62 H CB 0.309 30.114 29.762 0.071 0.000 1.389 62 H HN 0.000 nan 8.280 nan 0.000 0.577 63 L N -0.480 120.854 121.223 0.185 0.000 2.249 63 L HA -0.027 4.309 4.340 -0.006 0.000 0.207 63 L C 2.010 178.988 176.870 0.180 0.000 1.090 63 L CA 0.761 55.678 54.840 0.128 0.000 0.802 63 L CB -0.285 41.828 42.059 0.090 0.000 0.947 63 L HN 0.100 nan 8.230 nan 0.000 0.453 64 V N -0.091 119.939 119.914 0.193 0.000 2.231 64 V HA -0.282 3.835 4.120 -0.006 0.000 0.248 64 V C 2.570 178.768 176.094 0.173 0.000 1.054 64 V CA 2.075 64.507 62.300 0.220 0.000 1.015 64 V CB -1.611 30.289 31.823 0.128 0.000 0.638 64 V HN 0.542 nan 8.190 nan 0.000 0.444 65 G N -0.542 108.316 108.800 0.097 0.000 2.491 65 G HA2 -0.296 3.660 3.960 -0.006 0.000 0.218 65 G HA3 -0.296 3.660 3.960 -0.006 0.000 0.218 65 G C 1.747 176.691 174.900 0.073 0.000 1.180 65 G CA 1.103 46.239 45.100 0.059 0.000 0.774 65 G HN 0.444 nan 8.290 nan 0.000 0.562 66 R N -1.484 119.068 120.500 0.086 0.000 2.096 66 R HA -0.085 4.252 4.340 -0.006 0.000 0.235 66 R C 2.268 178.651 176.300 0.139 0.000 1.127 66 R CA 1.146 57.288 56.100 0.069 0.000 0.968 66 R CB -0.351 29.973 30.300 0.039 0.000 0.861 66 R HN 0.500 nan 8.270 nan 0.000 0.440 67 W N 1.555 122.837 121.300 -0.030 0.000 2.333 67 W HA -0.129 4.528 4.660 -0.005 0.000 0.316 67 W C 1.737 178.232 176.519 -0.040 0.000 1.215 67 W CA 1.096 58.422 57.345 -0.031 0.000 1.278 67 W CB -0.761 28.696 29.460 -0.005 0.000 1.154 67 W HN -0.025 nan 8.180 nan 0.000 0.486 68 I N 0.251 120.883 120.570 0.103 0.000 2.163 68 I HA -0.373 3.794 4.170 -0.006 0.000 0.243 68 I C 2.617 178.721 176.117 -0.022 0.000 1.085 68 I CA 1.759 63.035 61.300 -0.041 0.000 1.347 68 I CB -0.642 37.334 38.000 -0.041 0.000 1.044 68 I HN -0.066 nan 8.210 nan 0.000 0.408 69 R N -0.024 120.479 120.500 0.005 0.000 2.075 69 R HA -0.101 4.235 4.340 -0.006 0.000 0.232 69 R C 2.363 178.636 176.300 -0.045 0.000 1.126 69 R CA 1.862 57.953 56.100 -0.015 0.000 0.963 69 R CB -0.630 29.658 30.300 -0.019 0.000 0.858 69 R HN 0.343 nan 8.270 nan 0.000 0.435 70 T N 1.263 115.778 114.554 -0.065 0.000 2.607 70 T HA -0.175 4.172 4.350 -0.006 0.000 0.267 70 T C 1.792 176.262 174.700 -0.383 0.000 1.049 70 T CA 1.247 63.214 62.100 -0.222 0.000 1.162 70 T CB -0.157 68.631 68.868 -0.132 0.000 0.863 70 T HN 0.200 nan 8.240 nan 0.000 0.424 71 Q N 0.717 120.432 119.800 -0.141 0.000 2.224 71 Q HA -0.036 4.301 4.340 -0.006 0.000 0.203 71 Q C 2.785 178.809 176.000 0.039 0.000 0.970 71 Q CA 1.697 57.491 55.803 -0.015 0.000 0.865 71 Q CB -0.849 27.922 28.738 0.055 0.000 0.922 71 Q HN 0.821 nan 8.270 nan 0.000 0.445 72 Q N 0.228 120.028 119.800 -0.001 0.000 2.230 72 Q HA -0.153 4.184 4.340 -0.006 0.000 0.202 72 Q C 1.746 177.808 176.000 0.104 0.000 0.963 72 Q CA 1.820 57.648 55.803 0.041 0.000 0.866 72 Q CB -0.934 27.803 28.738 -0.002 0.000 0.931 72 Q HN 0.662 nan 8.270 nan 0.000 0.452 73 H N -0.920 118.107 119.070 -0.073 0.000 2.389 73 H HA -0.070 4.482 4.556 -0.006 0.000 0.299 73 H C 1.553 176.918 175.328 0.061 0.000 1.081 73 H CA 2.028 58.040 56.048 -0.062 0.000 1.345 73 H CB -0.108 29.549 29.762 -0.176 0.000 1.393 73 H HN 0.579 nan 8.280 nan 0.000 0.520 74 Y N -1.090 119.221 120.300 0.018 0.000 2.242 74 Y HA -0.153 4.394 4.550 -0.006 0.000 0.291 74 Y C 2.337 178.251 175.900 0.023 0.000 1.137 74 Y CA 0.998 59.084 58.100 -0.024 0.000 1.181 74 Y CB -1.318 37.196 38.460 0.090 0.000 0.989 74 Y HN 0.323 nan 8.280 nan 0.000 0.527 75 Y N 0.987 121.358 120.300 0.120 0.000 2.224 75 Y HA -0.244 4.303 4.550 -0.006 0.000 0.289 75 Y C 2.438 178.345 175.900 0.011 0.000 1.146 75 Y CA 2.052 60.189 58.100 0.062 0.000 1.182 75 Y CB 0.008 38.499 38.460 0.052 0.000 0.983 75 Y HN 0.163 nan 8.280 nan 0.000 0.524 76 E N 0.045 120.310 120.200 0.108 0.000 2.060 76 E HA -0.098 4.249 4.350 -0.006 0.000 0.189 76 E C 1.969 178.531 176.600 -0.063 0.000 0.974 76 E CA 1.216 57.630 56.400 0.024 0.000 0.808 76 E CB -0.106 29.631 29.700 0.062 0.000 0.768 76 E HN 0.069 nan 8.360 nan 0.000 0.453 77 K N 0.615 120.943 120.400 -0.121 0.000 2.288 77 K HA -0.069 4.248 4.320 -0.006 0.000 0.201 77 K C -0.220 176.329 176.600 -0.085 0.000 1.048 77 K CA 0.853 57.066 56.287 -0.123 0.000 0.956 77 K CB -0.329 32.037 32.500 -0.223 0.000 0.746 77 K HN 0.198 nan 8.250 nan 0.000 0.461 78 D N 1.482 121.833 120.400 -0.082 0.000 2.894 78 D HA -0.132 4.505 4.640 -0.006 0.000 0.216 78 D C -2.314 173.947 176.300 -0.065 0.000 1.245 78 D CA 0.066 54.016 54.000 -0.085 0.000 0.728 78 D CB 0.104 40.818 40.800 -0.143 0.000 0.924 78 D HN 0.221 nan 8.370 nan 0.000 0.395 79 P HA 0.104 nan 4.420 nan 0.000 0.279 79 P C -0.337 176.910 177.300 -0.087 0.000 1.276 79 P CA -0.661 62.398 63.100 -0.068 0.000 0.801 79 P CB 0.724 32.374 31.700 -0.084 0.000 1.127 80 K N 1.144 121.494 120.400 -0.083 0.000 2.416 80 K HA 0.080 4.397 4.320 -0.006 0.000 0.283 80 K C 0.003 176.495 176.600 -0.180 0.000 1.037 80 K CA -0.071 56.155 56.287 -0.101 0.000 0.995 80 K CB 0.226 32.687 32.500 -0.064 0.000 0.938 80 K HN 0.297 nan 8.250 nan 0.000 0.475 81 R N 4.177 124.539 120.500 -0.229 0.000 2.297 81 R HA 0.287 4.624 4.340 -0.006 0.000 0.308 81 R C -0.299 175.628 176.300 -0.622 0.000 1.029 81 R CA -0.745 55.114 56.100 -0.401 0.000 0.929 81 R CB 0.793 30.847 30.300 -0.409 0.000 1.046 81 R HN 0.496 nan 8.270 nan 0.000 0.461 82 I N 4.241 124.432 120.570 -0.632 0.000 2.315 82 I HA 0.179 4.345 4.170 -0.006 0.000 0.291 82 I C -0.542 175.224 176.117 -0.585 0.000 1.006 82 I CA -0.709 60.178 61.300 -0.688 0.000 1.265 82 I CB 0.538 38.034 38.000 -0.839 0.000 1.387 82 I HN 0.505 nan 8.210 nan 0.000 0.475 83 Y N 5.883 126.141 120.300 -0.071 0.000 2.478 83 Y HA 0.274 4.820 4.550 -0.006 0.000 0.329 83 Y C -0.211 175.786 175.900 0.161 0.000 0.967 83 Y CA -0.875 57.311 58.100 0.143 0.000 1.255 83 Y CB 0.824 39.327 38.460 0.072 0.000 1.103 83 Y HN 0.394 nan 8.280 nan 0.000 0.497 84 Y N 4.317 124.785 120.300 0.281 0.000 2.556 84 Y HA 0.406 4.953 4.550 -0.006 0.000 0.352 84 Y C -0.942 175.238 175.900 0.467 0.000 1.006 84 Y CA -0.696 57.597 58.100 0.322 0.000 1.277 84 Y CB 0.172 38.838 38.460 0.343 0.000 1.136 84 Y HN 0.534 nan 8.280 nan 0.000 0.523 85 L N 5.042 126.314 121.223 0.080 0.000 2.265 85 L HA 0.472 4.808 4.340 -0.006 0.000 0.288 85 L C -0.277 176.610 176.870 0.029 0.000 1.058 85 L CA 0.223 55.168 54.840 0.175 0.000 0.809 85 L CB 1.277 43.401 42.059 0.108 0.000 1.179 85 L HN 0.574 nan 8.230 nan 0.000 0.429 86 S N 2.790 118.591 115.700 0.168 0.000 2.535 86 S HA 0.416 4.882 4.470 -0.006 0.000 0.272 86 S C 0.285 174.955 174.600 0.116 0.000 1.149 86 S CA -0.651 57.540 58.200 -0.014 0.000 0.888 86 S CB 0.975 63.938 63.200 -0.394 0.000 1.110 86 S HN 0.477 nan 8.310 nan 0.000 0.463 87 L N 2.593 123.926 121.223 0.183 0.000 2.610 87 L HA 0.339 4.676 4.340 -0.006 0.000 0.232 87 L C 0.248 177.302 176.870 0.308 0.000 1.149 87 L CA 1.240 56.259 54.840 0.298 0.000 0.872 87 L CB -0.888 41.365 42.059 0.324 0.000 0.992 87 L HN 0.694 nan 8.230 nan 0.000 0.447 88 E N -0.774 119.450 120.200 0.040 0.000 2.290 88 E HA 0.365 4.712 4.350 -0.006 0.000 0.274 88 E C -1.517 174.898 176.600 -0.308 0.000 0.889 88 E CA -0.389 56.017 56.400 0.011 0.000 0.760 88 E CB 2.025 31.721 29.700 -0.008 0.000 1.206 88 E HN -0.160 nan 8.360 nan 0.000 0.419 89 F N 2.124 122.187 119.950 0.188 0.000 2.810 89 F HA 0.167 4.691 4.527 -0.006 0.000 0.373 89 F C -0.750 175.141 175.800 0.151 0.000 1.174 89 F CA -0.729 57.373 58.000 0.170 0.000 1.141 89 F CB 0.812 39.909 39.000 0.161 0.000 1.420 89 F HN 0.491 nan 8.300 nan 0.000 0.518 90 Y N 4.873 125.253 120.300 0.134 0.000 2.636 90 Y HA 0.209 4.756 4.550 -0.005 0.000 0.334 90 Y C 1.001 176.928 175.900 0.044 0.000 1.286 90 Y CA -0.797 57.332 58.100 0.048 0.000 1.688 90 Y CB 0.262 38.735 38.460 0.023 0.000 1.662 90 Y HN 0.528 nan 8.280 nan 0.000 0.465 91 M N 0.961 120.689 119.600 0.214 0.000 2.287 91 M HA 0.139 4.616 4.480 -0.006 0.000 0.266 91 M C 1.574 177.862 176.300 -0.020 0.000 1.079 91 M CA 1.086 56.434 55.300 0.079 0.000 1.146 91 M CB -1.050 31.580 32.600 0.050 0.000 1.374 91 M HN 0.661 nan 8.290 nan 0.000 0.435 92 G N 1.189 109.982 108.800 -0.011 0.000 2.562 92 G HA2 -0.271 3.686 3.960 -0.006 0.000 0.250 92 G HA3 -0.271 3.686 3.960 -0.006 0.000 0.250 92 G C -0.273 174.590 174.900 -0.062 0.000 1.269 92 G CA -0.273 44.788 45.100 -0.065 0.000 0.919 92 G HN 0.419 nan 8.290 nan 0.000 0.574 93 R N -0.727 119.716 120.500 -0.096 0.000 2.615 93 R HA 0.580 4.917 4.340 -0.006 0.000 0.270 93 R C 1.202 177.378 176.300 -0.208 0.000 1.081 93 R CA 0.575 56.619 56.100 -0.094 0.000 1.154 93 R CB 0.597 30.844 30.300 -0.088 0.000 1.063 93 R HN 0.545 nan 8.270 nan 0.000 0.519 94 T N 0.806 115.159 114.554 -0.334 0.000 2.954 94 T HA 0.006 4.352 4.350 -0.006 0.000 0.252 94 T C 1.273 175.497 174.700 -0.793 0.000 0.983 94 T CA -0.212 61.481 62.100 -0.678 0.000 0.941 94 T CB 0.138 68.338 68.868 -1.113 0.000 1.141 94 T HN 0.312 nan 8.240 nan 0.000 0.500 95 L N 1.970 122.917 121.223 -0.460 0.000 1.976 95 L HA 0.033 4.370 4.340 -0.006 0.000 0.209 95 L C 2.430 179.239 176.870 -0.102 0.000 1.071 95 L CA 2.003 56.760 54.840 -0.139 0.000 0.746 95 L CB -0.763 41.535 42.059 0.398 0.000 0.890 95 L HN 0.142 nan 8.230 nan 0.000 0.432 96 Q N -0.527 119.234 119.800 -0.066 0.000 2.096 96 Q HA -0.274 4.063 4.340 -0.006 0.000 0.204 96 Q C 2.227 178.161 176.000 -0.111 0.000 0.982 96 Q CA 2.003 57.769 55.803 -0.062 0.000 0.850 96 Q CB -0.350 28.351 28.738 -0.062 0.000 0.901 96 Q HN 0.724 nan 8.270 nan 0.000 0.422 97 N N -0.924 117.668 118.700 -0.179 0.000 2.166 97 N HA -0.141 4.596 4.740 -0.006 0.000 0.186 97 N C 1.404 176.817 175.510 -0.162 0.000 1.019 97 N CA 1.755 54.695 53.050 -0.183 0.000 0.856 97 N CB 0.086 38.431 38.487 -0.235 0.000 0.993 97 N HN 0.196 nan 8.380 nan 0.000 0.426 98 T N 1.425 115.848 114.554 -0.219 0.000 2.701 98 T HA -0.067 4.280 4.350 -0.006 0.000 0.263 98 T C 2.112 176.761 174.700 -0.085 0.000 1.040 98 T CA 1.163 63.159 62.100 -0.172 0.000 1.147 98 T CB -0.134 68.598 68.868 -0.226 0.000 0.865 98 T HN 0.243 nan 8.240 nan 0.000 0.426 99 M N 0.646 120.211 119.600 -0.058 0.000 2.082 99 M HA -0.138 4.339 4.480 -0.006 0.000 0.258 99 M C 2.473 178.746 176.300 -0.044 0.000 1.069 99 M CA 1.422 56.700 55.300 -0.037 0.000 1.102 99 M CB -0.777 31.818 32.600 -0.008 0.000 1.336 99 M HN 0.103 nan 8.290 nan 0.000 0.404 100 V N 0.906 120.801 119.914 -0.032 0.000 2.233 100 V HA -0.318 3.798 4.120 -0.006 0.000 0.247 100 V C 1.616 177.719 176.094 0.015 0.000 1.050 100 V CA 2.444 64.753 62.300 0.015 0.000 1.010 100 V CB -1.015 30.827 31.823 0.032 0.000 0.637 100 V HN 0.532 nan 8.190 nan 0.000 0.444 101 N N -0.198 118.502 118.700 -0.000 0.000 2.364 101 N HA -0.058 4.679 4.740 -0.006 0.000 0.183 101 N C 1.270 176.677 175.510 -0.170 0.000 1.022 101 N CA 0.859 53.881 53.050 -0.047 0.000 0.883 101 N CB -0.081 38.393 38.487 -0.022 0.000 0.965 101 N HN 0.428 nan 8.380 nan 0.000 0.438 102 L N -0.571 120.576 121.223 -0.127 0.000 2.728 102 L HA 0.395 4.732 4.340 -0.006 0.000 0.238 102 L C 0.504 177.296 176.870 -0.129 0.000 1.143 102 L CA -0.375 54.392 54.840 -0.121 0.000 0.937 102 L CB 0.063 42.080 42.059 -0.071 0.000 1.225 102 L HN -0.014 nan 8.230 nan 0.000 0.507 103 A N 0.769 123.505 122.820 -0.139 0.000 2.791 103 A HA -0.208 4.109 4.320 -0.006 0.000 0.292 103 A C 0.857 178.392 177.584 -0.083 0.000 1.487 103 A CA 0.962 52.933 52.037 -0.110 0.000 0.760 103 A CB -2.026 16.896 19.000 -0.130 0.000 1.031 103 A HN 0.462 nan 8.150 nan 0.000 0.503 104 L N -1.544 119.631 121.223 -0.081 0.000 2.693 104 L HA 0.163 4.500 4.340 -0.006 0.000 0.235 104 L C 1.947 178.787 176.870 -0.049 0.000 1.127 104 L CA 0.681 55.468 54.840 -0.089 0.000 0.914 104 L CB 0.070 42.040 42.059 -0.148 0.000 1.193 104 L HN 0.645 nan 8.230 nan 0.000 0.502 105 E N 0.815 120.996 120.200 -0.031 0.000 2.038 105 E HA -0.226 4.120 4.350 -0.006 0.000 0.195 105 E C 1.656 178.250 176.600 -0.009 0.000 1.000 105 E CA 1.358 57.750 56.400 -0.012 0.000 0.803 105 E CB 0.252 29.948 29.700 -0.007 0.000 0.750 105 E HN 0.421 nan 8.360 nan 0.000 0.448 106 N N 0.078 118.769 118.700 -0.015 0.000 2.142 106 N HA -0.119 4.617 4.740 -0.006 0.000 0.186 106 N C 1.587 177.088 175.510 -0.016 0.000 1.023 106 N CA 1.258 54.298 53.050 -0.017 0.000 0.852 106 N CB -0.324 38.151 38.487 -0.019 0.000 0.998 106 N HN 0.193 nan 8.380 nan 0.000 0.424 107 A N 0.161 122.971 122.820 -0.017 0.000 1.969 107 A HA -0.099 4.218 4.320 -0.006 0.000 0.218 107 A C 2.601 180.183 177.584 -0.003 0.000 1.169 107 A CA 1.018 53.049 52.037 -0.011 0.000 0.635 107 A CB -0.762 18.227 19.000 -0.018 0.000 0.810 107 A HN 0.420 nan 8.150 nan 0.000 0.445 108 C N -1.072 118.227 119.300 -0.002 0.000 2.466 108 C HA -0.030 4.427 4.460 -0.006 0.000 0.278 108 C C 2.432 177.429 174.990 0.012 0.000 1.288 108 C CA 0.987 60.015 59.018 0.017 0.000 1.722 108 C CB -0.976 26.787 27.740 0.037 0.000 2.017 108 C HN 0.711 nan 8.230 nan 0.000 0.488 109 D N 0.870 121.277 120.400 0.011 0.000 2.104 109 D HA -0.163 4.473 4.640 -0.006 0.000 0.194 109 D C 2.107 178.421 176.300 0.023 0.000 0.994 109 D CA 1.605 55.612 54.000 0.013 0.000 0.830 109 D CB -0.220 40.579 40.800 -0.002 0.000 0.959 109 D HN 0.455 nan 8.370 nan 0.000 0.452 110 E N 0.107 120.313 120.200 0.011 0.000 2.072 110 E HA -0.065 4.282 4.350 -0.006 0.000 0.191 110 E C 1.876 178.509 176.600 0.056 0.000 0.985 110 E CA 1.533 57.955 56.400 0.037 0.000 0.801 110 E CB -0.611 29.093 29.700 0.008 0.000 0.750 110 E HN 0.234 nan 8.360 nan 0.000 0.452 111 A N -0.040 122.785 122.820 0.008 0.000 1.892 111 A HA -0.250 4.067 4.320 -0.006 0.000 0.218 111 A C 2.522 180.034 177.584 -0.121 0.000 1.188 111 A CA 3.097 55.114 52.037 -0.033 0.000 0.631 111 A CB -1.569 17.419 19.000 -0.021 0.000 0.822 111 A HN 0.534 nan 8.150 nan 0.000 0.447 112 T N -3.655 110.816 114.554 -0.138 0.000 2.821 112 T HA -0.213 4.134 4.350 -0.006 0.000 0.267 112 T C 1.856 176.471 174.700 -0.142 0.000 1.046 112 T CA 1.539 63.494 62.100 -0.242 0.000 1.139 112 T CB -0.619 68.148 68.868 -0.168 0.000 0.871 112 T HN 0.491 nan 8.240 nan 0.000 0.454 113 Y N 2.002 122.220 120.300 -0.136 0.000 2.145 113 Y HA -0.128 4.418 4.550 -0.005 0.000 0.286 113 Y C 2.775 178.613 175.900 -0.103 0.000 1.145 113 Y CA 1.680 59.719 58.100 -0.102 0.000 1.148 113 Y CB -0.500 37.920 38.460 -0.066 0.000 0.981 113 Y HN 0.213 nan 8.280 nan 0.000 0.507 114 Q N -0.701 119.077 119.800 -0.036 0.000 2.096 114 Q HA -0.199 4.137 4.340 -0.006 0.000 0.204 114 Q C 1.834 177.720 176.000 -0.191 0.000 0.982 114 Q CA 1.598 57.335 55.803 -0.111 0.000 0.850 114 Q CB -0.213 28.519 28.738 -0.010 0.000 0.901 114 Q HN 0.387 nan 8.270 nan 0.000 0.422 115 L N -1.121 119.976 121.223 -0.210 0.000 2.552 115 L HA 0.071 4.408 4.340 -0.006 0.000 0.227 115 L C 1.147 177.861 176.870 -0.260 0.000 1.146 115 L CA 1.465 56.168 54.840 -0.229 0.000 0.858 115 L CB -0.356 41.509 42.059 -0.322 0.000 0.969 115 L HN 0.370 nan 8.230 nan 0.000 0.451 116 G N -0.395 108.223 108.800 -0.303 0.000 2.207 116 G HA2 -0.195 3.762 3.960 -0.006 0.000 0.216 116 G HA3 -0.195 3.762 3.960 -0.006 0.000 0.216 116 G C -0.198 174.544 174.900 -0.263 0.000 1.053 116 G CA -0.032 44.890 45.100 -0.296 0.000 0.764 116 G HN 0.225 nan 8.290 nan 0.000 0.495 117 L N -0.247 120.828 121.223 -0.248 0.000 2.409 117 L HA 0.588 4.924 4.340 -0.006 0.000 0.262 117 L C -0.775 176.048 176.870 -0.078 0.000 0.992 117 L CA -1.164 53.557 54.840 -0.199 0.000 0.817 117 L CB 2.094 43.971 42.059 -0.303 0.000 1.350 117 L HN 0.104 nan 8.230 nan 0.000 0.411 118 D N 2.353 122.735 120.400 -0.029 0.000 2.359 118 D HA 0.156 4.792 4.640 -0.006 0.000 0.230 118 D C 0.640 176.963 176.300 0.038 0.000 1.118 118 D CA -0.213 53.803 54.000 0.026 0.000 0.844 118 D CB 1.565 42.386 40.800 0.034 0.000 1.059 118 D HN 0.565 nan 8.370 nan 0.000 0.493 119 M N 3.579 123.207 119.600 0.046 0.000 2.213 119 M HA -0.137 4.339 4.480 -0.006 0.000 0.263 119 M C 1.165 177.515 176.300 0.083 0.000 1.062 119 M CA 1.474 56.818 55.300 0.072 0.000 1.105 119 M CB 0.244 32.882 32.600 0.063 0.000 1.385 119 M HN 0.341 nan 8.290 nan 0.000 0.417 120 E N -0.298 119.939 120.200 0.061 0.000 2.274 120 E HA -0.176 4.170 4.350 -0.006 0.000 0.194 120 E C 1.823 178.456 176.600 0.055 0.000 0.996 120 E CA 0.655 57.087 56.400 0.053 0.000 0.840 120 E CB -0.152 29.572 29.700 0.041 0.000 0.772 120 E HN 0.611 nan 8.360 nan 0.000 0.491 121 E N 0.885 121.119 120.200 0.057 0.000 2.072 121 E HA -0.149 4.197 4.350 -0.006 0.000 0.190 121 E C 2.067 178.704 176.600 0.062 0.000 0.982 121 E CA 0.540 56.973 56.400 0.054 0.000 0.803 121 E CB 0.157 29.886 29.700 0.049 0.000 0.755 121 E HN 0.116 nan 8.360 nan 0.000 0.453 122 L N 1.618 122.901 121.223 0.100 0.000 2.042 122 L HA -0.188 4.149 4.340 -0.006 0.000 0.210 122 L C 2.203 179.140 176.870 0.113 0.000 1.076 122 L CA 1.642 56.577 54.840 0.158 0.000 0.749 122 L CB -0.761 41.450 42.059 0.254 0.000 0.893 122 L HN 0.135 nan 8.230 nan 0.000 0.432 123 E N -0.741 119.523 120.200 0.105 0.000 2.153 123 E HA -0.200 4.147 4.350 -0.006 0.000 0.194 123 E C 1.773 178.346 176.600 -0.046 0.000 0.988 123 E CA 0.774 57.210 56.400 0.059 0.000 0.811 123 E CB -0.019 29.720 29.700 0.064 0.000 0.746 123 E HN 0.446 nan 8.360 nan 0.000 0.466 124 E N 0.082 120.265 120.200 -0.027 0.000 2.478 124 E HA -0.084 4.263 4.350 -0.006 0.000 0.198 124 E C 1.685 178.234 176.600 -0.085 0.000 1.046 124 E CA 0.475 56.858 56.400 -0.028 0.000 0.870 124 E CB 0.161 29.875 29.700 0.024 0.000 0.818 124 E HN 0.409 nan 8.360 nan 0.000 0.527 125 I N 0.539 120.991 120.570 -0.197 0.000 2.852 125 I HA -0.053 4.113 4.170 -0.006 0.000 0.264 125 I C 1.297 177.139 176.117 -0.459 0.000 1.179 125 I CA 0.074 61.197 61.300 -0.295 0.000 1.480 125 I CB 0.261 38.081 38.000 -0.299 0.000 1.111 125 I HN -0.051 nan 8.210 nan 0.000 0.441 126 E N 2.434 122.246 120.200 -0.647 0.000 2.414 126 E HA -0.075 4.271 4.350 -0.006 0.000 0.263 126 E C -0.026 176.527 176.600 -0.079 0.000 1.000 126 E CA -0.075 56.034 56.400 -0.485 0.000 0.914 126 E CB 0.623 30.160 29.700 -0.271 0.000 0.948 126 E HN 0.086 nan 8.360 nan 0.000 0.444 127 E N 2.770 123.029 120.200 0.097 0.000 2.366 127 E HA 0.061 4.407 4.350 -0.006 0.000 0.266 127 E C -1.164 175.566 176.600 0.217 0.000 1.051 127 E CA -0.321 56.201 56.400 0.204 0.000 0.884 127 E CB 0.770 30.669 29.700 0.331 0.000 1.006 127 E HN 0.348 nan 8.360 nan 0.000 0.417 128 D N 1.794 122.286 120.400 0.154 0.000 2.424 128 D HA 0.208 4.844 4.640 -0.006 0.000 0.244 128 D C -0.721 175.614 176.300 0.058 0.000 1.134 128 D CA 0.264 54.316 54.000 0.087 0.000 0.881 128 D CB 0.949 41.774 40.800 0.043 0.000 1.191 128 D HN 0.450 nan 8.370 nan 0.000 0.445 129 A N 2.820 125.624 122.820 -0.027 0.000 2.981 129 A HA 0.393 4.710 4.320 -0.006 0.000 0.280 129 A C 1.174 178.594 177.584 -0.274 0.000 1.743 129 A CA -0.333 51.480 52.037 -0.374 0.000 1.430 129 A CB -0.595 18.285 19.000 -0.201 0.000 1.085 129 A HN 0.546 nan 8.150 nan 0.000 0.597 130 G N 1.157 109.779 108.800 -0.297 0.000 3.455 130 G HA2 0.349 4.306 3.960 -0.006 0.000 0.250 130 G HA3 0.349 4.306 3.960 -0.006 0.000 0.250 130 G C 0.432 175.154 174.900 -0.296 0.000 1.071 130 G CA -0.296 44.738 45.100 -0.110 0.000 1.812 130 G HN 0.676 nan 8.290 nan 0.000 0.643 131 L N 1.194 122.271 121.223 -0.243 0.000 2.855 131 L HA 0.328 4.665 4.340 -0.006 0.000 0.245 131 L C 1.153 177.939 176.870 -0.141 0.000 1.276 131 L CA -0.190 54.581 54.840 -0.115 0.000 1.118 131 L CB -0.389 41.718 42.059 0.081 0.000 1.444 131 L HN 0.321 nan 8.230 nan 0.000 0.440 132 G N -1.501 106.965 108.800 -0.556 0.000 2.684 132 G HA2 0.221 4.177 3.960 -0.006 0.000 0.290 132 G HA3 0.221 4.177 3.960 -0.006 0.000 0.290 132 G C -0.126 174.150 174.900 -1.041 0.000 1.425 132 G CA -0.435 44.244 45.100 -0.700 0.000 0.822 132 G HN -0.117 nan 8.290 nan 0.000 0.482 133 N N -0.905 117.486 118.700 -0.514 0.000 2.428 133 N HA 0.217 4.954 4.740 -0.006 0.000 0.181 133 N C 1.095 176.619 175.510 0.023 0.000 1.028 133 N CA 1.246 54.155 53.050 -0.234 0.000 0.877 133 N CB 1.168 39.642 38.487 -0.021 0.000 1.064 133 N HN 0.771 nan 8.380 nan 0.000 0.434 134 G N -0.906 107.995 108.800 0.168 0.000 2.795 134 G HA2 0.289 4.246 3.960 -0.006 0.000 0.127 134 G HA3 0.289 4.246 3.960 -0.006 0.000 0.127 134 G C 0.678 175.725 174.900 0.244 0.000 1.203 134 G CA 0.256 45.544 45.100 0.314 0.000 1.145 134 G HN 0.161 nan 8.290 nan 0.000 0.580 135 G N 0.280 109.157 108.800 0.128 0.000 2.446 135 G HA2 -0.138 3.819 3.960 -0.006 0.000 0.217 135 G HA3 -0.138 3.819 3.960 -0.006 0.000 0.217 135 G C 1.881 176.776 174.900 -0.007 0.000 1.168 135 G CA 1.405 46.537 45.100 0.055 0.000 0.771 135 G HN 0.716 nan 8.290 nan 0.000 0.551 136 L N 0.611 121.778 121.223 -0.093 0.000 2.043 136 L HA -0.010 4.327 4.340 -0.006 0.000 0.212 136 L C 2.770 179.557 176.870 -0.140 0.000 1.075 136 L CA 2.040 56.695 54.840 -0.308 0.000 0.752 136 L CB -0.445 41.381 42.059 -0.388 0.000 0.891 136 L HN 0.274 nan 8.230 nan 0.000 0.432 137 G N -0.909 107.886 108.800 -0.008 0.000 2.426 137 G HA2 -0.240 3.717 3.960 -0.006 0.000 0.214 137 G HA3 -0.240 3.717 3.960 -0.006 0.000 0.214 137 G C 1.614 176.607 174.900 0.155 0.000 1.156 137 G CA 0.492 45.618 45.100 0.044 0.000 0.802 137 G HN 0.290 nan 8.290 nan 0.000 0.534 138 R N 0.273 120.902 120.500 0.214 0.000 2.153 138 R HA 0.175 4.512 4.340 -0.006 0.000 0.218 138 R C 2.153 178.477 176.300 0.040 0.000 1.072 138 R CA 0.617 56.808 56.100 0.152 0.000 0.990 138 R CB -0.987 29.345 30.300 0.054 0.000 0.889 138 R HN 0.304 nan 8.270 nan 0.000 0.452 139 L N 0.404 121.582 121.223 -0.076 0.000 2.046 139 L HA 0.040 4.376 4.340 -0.006 0.000 0.208 139 L C 2.110 178.683 176.870 -0.495 0.000 1.077 139 L CA 2.196 56.847 54.840 -0.315 0.000 0.747 139 L CB -0.946 40.892 42.059 -0.368 0.000 0.896 139 L HN 0.256 nan 8.230 nan 0.000 0.432 140 A N -0.720 121.947 122.820 -0.254 0.000 1.940 140 A HA -0.134 4.182 4.320 -0.006 0.000 0.219 140 A C 2.422 180.089 177.584 0.139 0.000 1.176 140 A CA 1.828 53.801 52.037 -0.107 0.000 0.631 140 A CB -1.074 17.919 19.000 -0.011 0.000 0.814 140 A HN 0.566 nan 8.150 nan 0.000 0.446 141 A N -1.076 121.851 122.820 0.178 0.000 1.873 141 A HA -0.129 4.188 4.320 -0.006 0.000 0.215 141 A C 2.301 179.977 177.584 0.152 0.000 1.186 141 A CA 1.553 53.715 52.037 0.209 0.000 0.616 141 A CB -1.253 17.863 19.000 0.194 0.000 0.823 141 A HN 0.586 nan 8.150 nan 0.000 0.442 142 C N -1.385 118.005 119.300 0.149 0.000 2.413 142 C HA -0.089 4.368 4.460 -0.006 0.000 0.276 142 C C 2.430 177.591 174.990 0.285 0.000 1.248 142 C CA 0.694 59.837 59.018 0.207 0.000 1.742 142 C CB -1.630 26.253 27.740 0.239 0.000 2.017 142 C HN 0.602 nan 8.230 nan 0.000 0.481 143 F N 0.524 120.472 119.950 -0.003 0.000 2.134 143 F HA -0.072 4.452 4.527 -0.006 0.000 0.299 143 F C 2.107 177.876 175.800 -0.051 0.000 1.097 143 F CA 1.099 59.049 58.000 -0.083 0.000 1.264 143 F CB -1.351 37.444 39.000 -0.341 0.000 1.001 143 F HN 0.100 nan 8.300 nan 0.000 0.479 144 L N 0.225 121.555 121.223 0.179 0.000 2.046 144 L HA -0.228 4.109 4.340 -0.006 0.000 0.208 144 L C 2.157 179.059 176.870 0.052 0.000 1.077 144 L CA 1.928 56.824 54.840 0.093 0.000 0.747 144 L CB -1.361 40.753 42.059 0.092 0.000 0.896 144 L HN 0.111 nan 8.230 nan 0.000 0.432 145 D N -1.362 119.077 120.400 0.065 0.000 2.092 145 D HA -0.183 4.454 4.640 -0.006 0.000 0.193 145 D C 2.180 178.510 176.300 0.050 0.000 0.994 145 D CA 1.610 55.633 54.000 0.037 0.000 0.828 145 D CB 0.144 40.963 40.800 0.031 0.000 0.963 145 D HN 0.181 nan 8.370 nan 0.000 0.450 146 S N -0.709 115.040 115.700 0.081 0.000 2.382 146 S HA -0.124 4.342 4.470 -0.006 0.000 0.228 146 S C 2.001 176.629 174.600 0.045 0.000 1.027 146 S CA 0.914 59.154 58.200 0.066 0.000 0.991 146 S CB -0.243 63.005 63.200 0.079 0.000 0.823 146 S HN 0.352 nan 8.310 nan 0.000 0.469 147 M N 0.808 120.431 119.600 0.038 0.000 2.229 147 M HA -0.068 4.409 4.480 -0.006 0.000 0.264 147 M C 2.398 178.711 176.300 0.023 0.000 1.063 147 M CA 1.247 56.564 55.300 0.028 0.000 1.114 147 M CB -0.462 32.139 32.600 0.002 0.000 1.387 147 M HN 0.400 nan 8.290 nan 0.000 0.420 148 A N -0.370 122.461 122.820 0.020 0.000 1.929 148 A HA -0.088 4.228 4.320 -0.006 0.000 0.216 148 A C 2.136 179.745 177.584 0.042 0.000 1.176 148 A CA 1.746 53.798 52.037 0.024 0.000 0.628 148 A CB -0.910 18.087 19.000 -0.006 0.000 0.816 148 A HN 0.382 nan 8.150 nan 0.000 0.444 149 T N 0.367 114.950 114.554 0.048 0.000 2.915 149 T HA 0.033 4.379 4.350 -0.006 0.000 0.269 149 T C 1.226 175.963 174.700 0.061 0.000 1.071 149 T CA 1.051 63.190 62.100 0.066 0.000 1.132 149 T CB -0.265 68.650 68.868 0.078 0.000 0.878 149 T HN 0.358 nan 8.240 nan 0.000 0.479 150 L N 0.207 121.464 121.223 0.057 0.000 2.700 150 L HA 0.352 4.689 4.340 -0.006 0.000 0.234 150 L C 1.730 178.641 176.870 0.068 0.000 1.156 150 L CA -0.048 54.827 54.840 0.058 0.000 0.946 150 L CB -0.321 41.771 42.059 0.054 0.000 1.216 150 L HN 0.359 nan 8.230 nan 0.000 0.493 151 G N 0.942 109.790 108.800 0.079 0.000 2.168 151 G HA2 -0.293 3.664 3.960 -0.006 0.000 0.257 151 G HA3 -0.293 3.664 3.960 -0.006 0.000 0.257 151 G C 0.287 175.261 174.900 0.124 0.000 0.997 151 G CA 0.015 45.188 45.100 0.122 0.000 0.708 151 G HN 0.288 nan 8.290 nan 0.000 0.520 152 L N 0.328 121.581 121.223 0.049 0.000 2.416 152 L HA 0.475 4.812 4.340 -0.006 0.000 0.272 152 L C 1.400 178.135 176.870 -0.225 0.000 1.161 152 L CA -0.019 54.792 54.840 -0.048 0.000 0.845 152 L CB 1.120 43.167 42.059 -0.021 0.000 1.119 152 L HN 0.291 nan 8.230 nan 0.000 0.464 153 A N 3.713 126.248 122.820 -0.476 0.000 2.981 153 A HA 0.491 4.807 4.320 -0.006 0.000 0.280 153 A C 0.339 177.587 177.584 -0.559 0.000 1.797 153 A CA -0.031 51.432 52.037 -0.957 0.000 1.456 153 A CB -0.698 17.751 19.000 -0.918 0.000 1.057 153 A HN 0.708 nan 8.150 nan 0.000 0.602 154 A N 1.921 124.443 122.820 -0.498 0.000 2.355 154 A HA 0.764 5.081 4.320 -0.006 0.000 0.317 154 A C -1.189 176.159 177.584 -0.393 0.000 1.094 154 A CA -0.459 51.376 52.037 -0.338 0.000 0.764 154 A CB 0.855 19.719 19.000 -0.226 0.000 1.230 154 A HN 0.574 nan 8.150 nan 0.000 0.448 155 Y N 0.579 120.831 120.300 -0.080 0.000 2.391 155 Y HA 0.569 5.115 4.550 -0.006 0.000 0.341 155 Y C 0.826 176.813 175.900 0.146 0.000 0.965 155 Y CA -0.860 57.261 58.100 0.036 0.000 1.067 155 Y CB 2.198 40.760 38.460 0.171 0.000 1.199 155 Y HN 0.808 nan 8.280 nan 0.000 0.450 156 G N 2.239 111.125 108.800 0.144 0.000 2.325 156 G HA2 0.418 4.375 3.960 -0.006 0.000 0.298 156 G HA3 0.418 4.375 3.960 -0.006 0.000 0.298 156 G C -1.656 173.247 174.900 0.006 0.000 1.134 156 G CA -0.276 44.933 45.100 0.183 0.000 0.876 156 G HN 0.522 nan 8.290 nan 0.000 0.452 157 Y N 1.411 121.941 120.300 0.384 0.000 2.335 157 Y HA 0.613 5.160 4.550 -0.006 0.000 0.338 157 Y C 0.832 177.074 175.900 0.570 0.000 0.977 157 Y CA 0.260 58.573 58.100 0.355 0.000 1.114 157 Y CB 2.501 41.181 38.460 0.368 0.000 1.182 157 Y HN 0.827 nan 8.280 nan 0.000 0.463 158 G N 2.492 111.656 108.800 0.608 0.000 2.846 158 G HA2 0.615 4.571 3.960 -0.006 0.000 0.299 158 G HA3 0.615 4.571 3.960 -0.006 0.000 0.299 158 G C -1.715 173.464 174.900 0.465 0.000 1.242 158 G CA -0.840 44.663 45.100 0.671 0.000 0.800 158 G HN 0.427 nan 8.290 nan 0.000 0.538 159 I N 0.430 121.165 120.570 0.276 0.000 2.441 159 I HA 0.432 4.598 4.170 -0.006 0.000 0.295 159 I C 0.331 176.404 176.117 -0.073 0.000 0.994 159 I CA -0.709 60.631 61.300 0.066 0.000 1.144 159 I CB 2.252 40.069 38.000 -0.304 0.000 1.314 159 I HN 0.346 nan 8.210 nan 0.000 0.445 160 R N 6.017 126.552 120.500 0.059 0.000 2.891 160 R HA 0.215 4.552 4.340 -0.006 0.000 0.248 160 R C -1.169 175.182 176.300 0.085 0.000 1.439 160 R CA -0.489 55.669 56.100 0.096 0.000 1.288 160 R CB -0.118 30.201 30.300 0.031 0.000 1.212 160 R HN 0.391 nan 8.270 nan 0.000 0.605 161 Y N 1.500 121.957 120.300 0.261 0.000 2.721 161 Y HA -0.133 4.413 4.550 -0.006 0.000 0.329 161 Y C 1.594 177.652 175.900 0.264 0.000 1.211 161 Y CA 0.313 58.548 58.100 0.225 0.000 1.512 161 Y CB 0.536 39.111 38.460 0.191 0.000 1.249 161 Y HN 0.585 nan 8.280 nan 0.000 0.549 162 E N 2.236 122.560 120.200 0.206 0.000 2.153 162 E HA -0.112 4.235 4.350 -0.006 0.000 0.194 162 E C -0.713 175.697 176.600 -0.317 0.000 0.988 162 E CA 0.790 57.084 56.400 -0.176 0.000 0.811 162 E CB 0.163 29.608 29.700 -0.425 0.000 0.746 162 E HN 0.470 nan 8.360 nan 0.000 0.466 163 F N -0.529 119.639 119.950 0.363 0.000 2.518 163 F HA 0.443 4.966 4.527 -0.006 0.000 0.323 163 F C 0.773 176.668 175.800 0.159 0.000 1.129 163 F CA -0.777 57.393 58.000 0.283 0.000 0.920 163 F CB 1.756 40.851 39.000 0.158 0.000 1.160 163 F HN -0.145 nan 8.300 nan 0.000 0.440 164 G N 1.672 110.597 108.800 0.208 0.000 2.504 164 G HA2 0.359 4.316 3.960 -0.006 0.000 0.257 164 G HA3 0.359 4.316 3.960 -0.006 0.000 0.257 164 G C -0.468 174.398 174.900 -0.055 0.000 1.451 164 G CA -0.682 44.383 45.100 -0.059 0.000 1.059 164 G HN 0.584 nan 8.290 nan 0.000 0.550 165 I N 0.799 121.267 120.570 -0.169 0.000 2.775 165 I HA 0.194 4.361 4.170 -0.006 0.000 0.290 165 I C 0.583 176.636 176.117 -0.107 0.000 1.203 165 I CA -1.012 60.180 61.300 -0.179 0.000 1.433 165 I CB -0.220 37.586 38.000 -0.323 0.000 1.354 165 I HN 0.342 nan 8.210 nan 0.000 0.579 166 F N 6.105 126.054 119.950 -0.000 0.000 2.628 166 F HA 0.224 4.748 4.527 -0.006 0.000 0.362 166 F C 0.473 176.311 175.800 0.064 0.000 1.148 166 F CA -0.556 57.461 58.000 0.028 0.000 1.352 166 F CB -0.332 38.674 39.000 0.010 0.000 1.081 166 F HN 0.421 nan 8.300 nan 0.000 0.605 167 N N 2.916 121.747 118.700 0.217 0.000 2.442 167 N HA 0.039 4.776 4.740 -0.006 0.000 0.265 167 N C -0.752 174.941 175.510 0.305 0.000 1.138 167 N CA -0.193 52.961 53.050 0.172 0.000 0.956 167 N CB 1.085 39.675 38.487 0.172 0.000 1.067 167 N HN 0.748 nan 8.380 nan 0.000 0.474 168 Q N 2.576 122.526 119.800 0.249 0.000 2.296 168 Q HA 0.152 4.489 4.340 -0.006 0.000 0.257 168 Q C -0.924 175.235 176.000 0.265 0.000 0.942 168 Q CA -0.414 55.601 55.803 0.353 0.000 0.939 168 Q CB 0.646 29.585 28.738 0.335 0.000 1.198 168 Q HN 0.193 nan 8.270 nan 0.000 0.429 169 K N 4.238 124.780 120.400 0.237 0.000 2.221 169 K HA 0.441 4.758 4.320 -0.006 0.000 0.258 169 K C -0.519 176.183 176.600 0.169 0.000 0.944 169 K CA -0.826 55.575 56.287 0.192 0.000 0.823 169 K CB 1.496 34.089 32.500 0.155 0.000 1.113 169 K HN 0.629 nan 8.250 nan 0.000 0.431 170 I N 2.293 122.955 120.570 0.153 0.000 2.291 170 I HA 0.101 4.267 4.170 -0.006 0.000 0.290 170 I C 0.131 176.309 176.117 0.103 0.000 1.050 170 I CA -0.685 60.679 61.300 0.108 0.000 1.245 170 I CB 0.544 38.595 38.000 0.085 0.000 1.405 170 I HN 0.457 nan 8.210 nan 0.000 0.478 171 C N 5.772 125.145 119.300 0.122 0.000 2.293 171 C HA 0.653 5.110 4.460 -0.006 0.000 0.323 171 C C 1.243 176.341 174.990 0.179 0.000 1.240 171 C CA 0.227 59.321 59.018 0.127 0.000 1.497 171 C CB -0.351 27.455 27.740 0.110 0.000 2.171 171 C HN 1.107 nan 8.230 nan 0.000 0.465 172 G N 4.257 113.134 108.800 0.128 0.000 2.273 172 G HA2 0.131 4.088 3.960 -0.006 0.000 0.280 172 G HA3 0.131 4.088 3.960 -0.006 0.000 0.280 172 G C 1.216 176.146 174.900 0.051 0.000 1.047 172 G CA 1.095 46.274 45.100 0.132 0.000 0.869 172 G HN 2.698 nan 8.290 nan 0.000 0.502 173 G N -3.027 105.746 108.800 -0.046 0.000 2.179 173 G HA2 -0.282 3.675 3.960 -0.006 0.000 0.260 173 G HA3 -0.282 3.675 3.960 -0.006 0.000 0.260 173 G C 0.324 175.004 174.900 -0.366 0.000 0.977 173 G CA 0.683 45.637 45.100 -0.242 0.000 0.641 173 G HN 1.232 nan 8.290 nan 0.000 0.533 174 W N 0.439 121.686 121.300 -0.088 0.000 2.639 174 W HA 0.670 5.327 4.660 -0.005 0.000 0.347 174 W C 0.551 177.012 176.519 -0.096 0.000 1.067 174 W CA -1.027 56.257 57.345 -0.102 0.000 1.218 174 W CB 0.934 30.354 29.460 -0.067 0.000 1.393 174 W HN 0.230 nan 8.180 nan 0.000 0.557 175 Q N 2.947 122.845 119.800 0.163 0.000 2.289 175 Q HA 0.192 4.529 4.340 -0.006 0.000 0.273 175 Q C -0.658 175.405 176.000 0.105 0.000 1.029 175 Q CA 0.325 56.197 55.803 0.116 0.000 0.896 175 Q CB 0.471 29.265 28.738 0.094 0.000 1.182 175 Q HN 0.282 nan 8.270 nan 0.000 0.385 176 M N 3.585 123.246 119.600 0.101 0.000 2.253 176 M HA 0.345 4.822 4.480 -0.006 0.000 0.314 176 M C -1.112 175.218 176.300 0.050 0.000 1.019 176 M CA -0.656 54.670 55.300 0.043 0.000 0.932 176 M CB 1.559 34.193 32.600 0.057 0.000 1.606 176 M HN 0.580 nan 8.290 nan 0.000 0.430 177 E N 2.218 122.367 120.200 -0.085 0.000 2.259 177 E HA 0.413 4.760 4.350 -0.006 0.000 0.281 177 E C -0.475 176.124 176.600 -0.002 0.000 1.027 177 E CA -0.233 56.096 56.400 -0.119 0.000 0.838 177 E CB 1.274 30.654 29.700 -0.533 0.000 1.066 177 E HN 0.276 nan 8.360 nan 0.000 0.401 178 E N 0.760 121.029 120.200 0.116 0.000 2.336 178 E HA 0.557 4.904 4.350 -0.006 0.000 0.267 178 E C -0.847 175.807 176.600 0.090 0.000 0.906 178 E CA -1.207 55.237 56.400 0.073 0.000 0.781 178 E CB 1.780 31.536 29.700 0.093 0.000 1.261 178 E HN 0.485 nan 8.360 nan 0.000 0.436 179 A N 0.966 123.788 122.820 0.003 0.000 2.440 179 A HA 0.115 4.432 4.320 -0.006 0.000 0.251 179 A C 0.025 177.698 177.584 0.148 0.000 1.089 179 A CA -0.123 51.890 52.037 -0.040 0.000 0.779 179 A CB -0.102 18.686 19.000 -0.354 0.000 1.022 179 A HN 0.487 nan 8.150 nan 0.000 0.492 180 D N 1.702 122.267 120.400 0.275 0.000 2.517 180 D HA 0.152 4.789 4.640 -0.006 0.000 0.220 180 D C -0.432 176.204 176.300 0.560 0.000 1.158 180 D CA -0.074 54.133 54.000 0.346 0.000 0.992 180 D CB 0.227 41.178 40.800 0.251 0.000 1.058 180 D HN 0.372 nan 8.370 nan 0.000 0.516 181 D N 3.506 124.187 120.400 0.469 0.000 2.801 181 D HA -0.026 4.610 4.640 -0.006 0.000 0.232 181 D C 1.219 177.651 176.300 0.220 0.000 1.128 181 D CA -0.489 53.756 54.000 0.408 0.000 1.003 181 D CB -0.201 40.785 40.800 0.311 0.000 1.110 181 D HN 0.556 nan 8.370 nan 0.000 0.477 182 W N 1.170 122.508 121.300 0.063 0.000 2.392 182 W HA -0.088 4.569 4.660 -0.005 0.000 0.279 182 W C 0.416 176.958 176.519 0.039 0.000 1.225 182 W CA 0.215 57.597 57.345 0.061 0.000 1.233 182 W CB -0.902 28.612 29.460 0.089 0.000 1.122 182 W HN 0.140 nan 8.180 nan 0.000 0.561 183 L N 1.147 121.980 121.223 -0.649 0.000 2.591 183 L HA 0.124 4.461 4.340 -0.006 0.000 0.228 183 L C 2.816 179.491 176.870 -0.325 0.000 1.133 183 L CA 0.191 54.631 54.840 -0.667 0.000 0.880 183 L CB -0.756 40.794 42.059 -0.849 0.000 1.033 183 L HN -0.079 nan 8.230 nan 0.000 0.450 184 R N 0.975 121.307 120.500 -0.281 0.000 2.159 184 R HA -0.259 4.078 4.340 -0.006 0.000 0.249 184 R C 1.271 177.410 176.300 -0.269 0.000 1.136 184 R CA 2.341 58.237 56.100 -0.340 0.000 0.951 184 R CB -0.291 29.670 30.300 -0.564 0.000 0.876 184 R HN 0.326 nan 8.270 nan 0.000 0.440 185 Y N -0.690 119.665 120.300 0.092 0.000 2.485 185 Y HA 0.415 4.962 4.550 -0.006 0.000 0.260 185 Y C 0.761 176.750 175.900 0.149 0.000 1.173 185 Y CA 0.302 58.508 58.100 0.177 0.000 1.252 185 Y CB 0.786 39.454 38.460 0.347 0.000 1.123 185 Y HN 0.469 nan 8.280 nan 0.000 0.524 186 G N 1.103 109.980 108.800 0.128 0.000 2.587 186 G HA2 -0.145 3.811 3.960 -0.006 0.000 0.686 186 G HA3 -0.145 3.811 3.960 -0.006 0.000 0.686 186 G C -1.453 173.472 174.900 0.041 0.000 1.236 186 G CA -1.085 44.016 45.100 0.001 0.000 0.820 186 G HN 0.182 nan 8.290 nan 0.000 0.645 187 N N 1.367 120.033 118.700 -0.056 0.000 2.626 187 N HA 0.564 5.300 4.740 -0.006 0.000 0.249 187 N C -0.792 174.683 175.510 -0.059 0.000 1.021 187 N CA -2.076 50.974 53.050 -0.000 0.000 0.886 187 N CB 1.929 40.355 38.487 -0.103 0.000 1.149 187 N HN 0.227 nan 8.380 nan 0.000 0.517 188 P HA 0.013 nan 4.420 nan 0.000 0.230 188 P C 0.261 177.279 177.300 -0.470 0.000 1.158 188 P CA 0.751 63.531 63.100 -0.534 0.000 0.769 188 P CB -0.001 31.112 31.700 -0.979 0.000 0.807 189 W N 1.606 122.919 121.300 0.022 0.000 3.316 189 W HA 0.170 4.827 4.660 -0.005 0.000 0.327 189 W C 0.743 177.304 176.519 0.070 0.000 1.232 189 W CA -0.581 56.782 57.345 0.030 0.000 1.805 189 W CB 0.102 29.600 29.460 0.063 0.000 1.090 189 W HN 0.050 nan 8.180 nan 0.000 0.654 190 E N 0.947 121.292 120.200 0.242 0.000 2.256 190 E HA 0.535 4.882 4.350 -0.006 0.000 0.267 190 E C -0.936 175.809 176.600 0.243 0.000 0.892 190 E CA -1.223 55.336 56.400 0.265 0.000 0.775 190 E CB 1.903 31.761 29.700 0.262 0.000 1.207 190 E HN -0.249 nan 8.360 nan 0.000 0.420 191 K N 1.903 122.468 120.400 0.274 0.000 2.535 191 K HA 0.468 4.784 4.320 -0.006 0.000 0.253 191 K C -1.129 175.491 176.600 0.032 0.000 0.953 191 K CA -0.425 55.956 56.287 0.156 0.000 0.863 191 K CB 1.497 34.093 32.500 0.159 0.000 1.111 191 K HN 0.682 nan 8.250 nan 0.000 0.431 192 A N 4.615 127.366 122.820 -0.115 0.000 2.546 192 A HA 0.265 4.582 4.320 -0.006 0.000 0.243 192 A C -0.297 177.119 177.584 -0.280 0.000 1.063 192 A CA 0.008 51.742 52.037 -0.505 0.000 0.757 192 A CB 0.142 18.795 19.000 -0.580 0.000 0.991 192 A HN 0.730 nan 8.150 nan 0.000 0.503 193 R N 3.735 124.074 120.500 -0.268 0.000 2.748 193 R HA 0.196 4.533 4.340 -0.006 0.000 0.283 193 R C -2.469 173.798 176.300 -0.055 0.000 1.507 193 R CA -1.335 54.712 56.100 -0.088 0.000 1.666 193 R CB 1.061 31.385 30.300 0.041 0.000 1.237 193 R HN 0.591 nan 8.270 nan 0.000 0.633 194 P HA -0.106 nan 4.420 nan 0.000 0.230 194 P C 0.978 178.232 177.300 -0.077 0.000 1.158 194 P CA 0.703 63.759 63.100 -0.073 0.000 0.769 194 P CB 0.444 32.092 31.700 -0.087 0.000 0.807 195 E N -0.544 119.551 120.200 -0.174 0.000 2.265 195 E HA -0.129 4.217 4.350 -0.006 0.000 0.196 195 E C 0.449 176.785 176.600 -0.440 0.000 0.996 195 E CA 0.785 56.973 56.400 -0.354 0.000 0.832 195 E CB -0.270 29.103 29.700 -0.544 0.000 0.756 195 E HN 0.234 nan 8.360 nan 0.000 0.491 196 F N 0.359 120.323 119.950 0.025 0.000 2.639 196 F HA 0.173 4.697 4.527 -0.006 0.000 0.300 196 F C 0.361 176.271 175.800 0.184 0.000 1.109 196 F CA -0.122 57.933 58.000 0.092 0.000 1.335 196 F CB 0.470 39.521 39.000 0.086 0.000 1.014 196 F HN -0.295 nan 8.300 nan 0.000 0.537 197 T N 3.236 117.929 114.554 0.232 0.000 2.871 197 T HA 0.236 4.583 4.350 -0.006 0.000 0.296 197 T C -0.211 174.597 174.700 0.180 0.000 0.998 197 T CA 0.435 62.673 62.100 0.232 0.000 1.162 197 T CB 0.429 69.374 68.868 0.129 0.000 0.947 197 T HN -0.163 nan 8.240 nan 0.000 0.536 198 L N 6.084 127.398 121.223 0.153 0.000 2.388 198 L HA 0.563 4.899 4.340 -0.006 0.000 0.264 198 L C -2.247 174.581 176.870 -0.070 0.000 0.998 198 L CA -2.680 52.171 54.840 0.019 0.000 0.817 198 L CB 1.948 43.968 42.059 -0.065 0.000 1.338 198 L HN 0.365 nan 8.230 nan 0.000 0.414 199 P HA 0.316 nan 4.420 nan 0.000 0.286 199 P C -1.055 176.025 177.300 -0.366 0.000 1.269 199 P CA -0.298 62.668 63.100 -0.224 0.000 0.787 199 P CB 1.479 33.038 31.700 -0.235 0.000 0.920 200 V N 4.668 124.354 119.914 -0.381 0.000 2.555 200 V HA 0.335 4.452 4.120 -0.006 0.000 0.302 200 V C 0.288 176.043 176.094 -0.565 0.000 1.038 200 V CA -0.594 61.448 62.300 -0.431 0.000 0.887 200 V CB 1.321 32.969 31.823 -0.292 0.000 0.991 200 V HN 0.601 nan 8.190 nan 0.000 0.434 201 H N 3.699 122.546 119.070 -0.370 0.000 2.472 201 H HA 0.625 5.177 4.556 -0.006 0.000 0.338 201 H C -1.321 173.663 175.328 -0.574 0.000 1.133 201 H CA -0.249 55.510 56.048 -0.481 0.000 1.216 201 H CB 1.936 31.197 29.762 -0.835 0.000 1.497 201 H HN 0.461 nan 8.280 nan 0.000 0.500 202 F N 0.412 120.408 119.950 0.077 0.000 2.588 202 F HA 0.246 4.769 4.527 -0.006 0.000 0.314 202 F C -0.182 175.723 175.800 0.174 0.000 1.069 202 F CA -0.577 57.478 58.000 0.092 0.000 0.931 202 F CB 0.886 39.867 39.000 -0.032 0.000 1.260 202 F HN 0.563 nan 8.300 nan 0.000 0.465 203 Y N 0.115 120.699 120.300 0.473 0.000 2.904 203 Y HA 0.026 4.572 4.550 -0.006 0.000 0.466 203 Y C 1.386 177.512 175.900 0.376 0.000 1.202 203 Y CA 0.687 58.986 58.100 0.333 0.000 2.492 203 Y CB -1.858 36.729 38.460 0.211 0.000 1.237 203 Y HN 1.303 nan 8.280 nan 0.000 0.633 204 G N 0.616 109.674 108.800 0.429 0.000 2.542 204 G HA2 0.130 4.087 3.960 -0.006 0.000 0.235 204 G HA3 0.130 4.087 3.960 -0.006 0.000 0.235 204 G C -0.510 174.580 174.900 0.316 0.000 1.286 204 G CA 1.172 46.444 45.100 0.286 0.000 0.904 204 G HN 1.428 nan 8.290 nan 0.000 0.577 205 R N -2.703 117.986 120.500 0.315 0.000 2.747 205 R HA 0.699 5.035 4.340 -0.006 0.000 0.272 205 R C -1.741 174.692 176.300 0.222 0.000 1.032 205 R CA -0.889 55.345 56.100 0.224 0.000 0.896 205 R CB 1.282 31.662 30.300 0.133 0.000 1.253 205 R HN 1.058 nan 8.270 nan 0.000 0.461 206 V N 1.209 121.171 119.914 0.079 0.000 2.407 206 V HA 0.341 4.457 4.120 -0.006 0.000 0.291 206 V C -0.443 175.567 176.094 -0.139 0.000 1.018 206 V CA -0.725 61.547 62.300 -0.046 0.000 0.842 206 V CB 1.459 33.179 31.823 -0.170 0.000 0.996 206 V HN 0.679 nan 8.190 nan 0.000 0.426 207 E N 3.650 123.765 120.200 -0.141 0.000 2.266 207 E HA 0.441 4.788 4.350 -0.006 0.000 0.277 207 E C -0.904 175.531 176.600 -0.274 0.000 1.018 207 E CA -0.663 55.664 56.400 -0.123 0.000 0.840 207 E CB 1.174 30.852 29.700 -0.036 0.000 1.082 207 E HN 0.621 nan 8.360 nan 0.000 0.395 208 H N 1.681 120.760 119.070 0.014 0.000 2.511 208 H HA 0.268 4.821 4.556 -0.006 0.000 0.328 208 H C -0.195 175.137 175.328 0.007 0.000 1.044 208 H CA -0.385 55.667 56.048 0.007 0.000 1.212 208 H CB 1.467 31.229 29.762 -0.000 0.000 1.428 208 H HN 0.545 nan 8.280 nan 0.000 0.483 209 T N -0.377 114.240 114.554 0.105 0.000 2.927 209 T HA 0.369 4.715 4.350 -0.006 0.000 0.286 209 T C 0.709 175.444 174.700 0.057 0.000 1.040 209 T CA -1.021 61.117 62.100 0.063 0.000 1.010 209 T CB 1.254 70.142 68.868 0.034 0.000 1.177 209 T HN 0.547 nan 8.240 nan 0.000 0.546 213 A N -1.449 121.385 122.820 0.024 0.000 2.330 213 A HA 1.039 5.356 4.320 -0.006 0.000 0.329 213 A C -0.055 177.477 177.584 -0.088 0.000 1.135 213 A CA 0.337 52.315 52.037 -0.098 0.000 0.817 213 A CB 1.383 20.288 19.000 -0.157 0.000 1.269 213 A HN 2.035 nan 8.150 nan 0.000 0.469 214 K N 0.711 121.044 120.400 -0.113 0.000 2.541 214 K HA 0.485 4.801 4.320 -0.006 0.000 0.250 214 K C -1.424 175.200 176.600 0.040 0.000 0.950 214 K CA -0.426 55.844 56.287 -0.029 0.000 0.805 214 K CB 1.113 33.599 32.500 -0.024 0.000 1.166 214 K HN 1.022 nan 8.250 nan 0.000 0.430 215 W N 4.458 125.668 121.300 -0.150 0.000 2.416 215 W HA 0.485 5.141 4.660 -0.006 0.000 0.318 215 W C -0.154 176.289 176.519 -0.126 0.000 1.150 215 W CA -0.917 56.343 57.345 -0.142 0.000 1.392 215 W CB 0.362 29.725 29.460 -0.161 0.000 1.311 215 W HN 0.708 nan 8.180 nan 0.000 0.436 216 V N 1.767 121.727 119.914 0.078 0.000 2.960 216 V HA 0.830 4.946 4.120 -0.006 0.000 0.315 216 V C 0.403 176.461 176.094 -0.060 0.000 1.087 216 V CA -0.048 62.223 62.300 -0.048 0.000 0.982 216 V CB 1.077 32.900 31.823 -0.001 0.000 1.039 216 V HN 0.920 nan 8.190 nan 0.000 0.437 217 D N -0.597 119.762 120.400 -0.068 0.000 2.981 217 D HA -0.149 4.488 4.640 -0.006 0.000 0.223 217 D C 0.426 176.710 176.300 -0.026 0.000 1.151 217 D CA 1.474 55.460 54.000 -0.023 0.000 0.827 217 D CB -2.316 38.498 40.800 0.023 0.000 1.101 217 D HN 2.102 nan 8.370 nan 0.000 0.426 218 T N -5.085 109.394 114.554 -0.126 0.000 2.868 218 T HA 0.637 4.984 4.350 -0.006 0.000 0.292 218 T C 0.515 175.244 174.700 0.049 0.000 1.028 218 T CA 0.685 62.720 62.100 -0.107 0.000 1.059 218 T CB 1.622 70.237 68.868 -0.421 0.000 0.991 218 T HN 1.724 nan 8.240 nan 0.000 0.531 219 Q N 0.912 120.810 119.800 0.163 0.000 2.256 219 Q HA 0.601 4.937 4.340 -0.006 0.000 0.254 219 Q C -0.427 175.682 176.000 0.181 0.000 0.916 219 Q CA -0.961 54.960 55.803 0.197 0.000 0.932 219 Q CB 0.919 29.840 28.738 0.306 0.000 1.207 219 Q HN 0.798 nan 8.270 nan 0.000 0.426 220 V N 2.258 122.230 119.914 0.096 0.000 2.472 220 V HA 0.608 4.725 4.120 -0.006 0.000 0.290 220 V C -0.216 175.936 176.094 0.098 0.000 1.037 220 V CA -0.610 61.685 62.300 -0.010 0.000 0.908 220 V CB 1.740 33.504 31.823 -0.097 0.000 0.985 220 V HN 0.756 nan 8.190 nan 0.000 0.454 221 V N 6.053 126.052 119.914 0.142 0.000 2.487 221 V HA 0.444 4.560 4.120 -0.006 0.000 0.298 221 V C -0.035 176.160 176.094 0.168 0.000 1.028 221 V CA -0.613 61.807 62.300 0.200 0.000 0.860 221 V CB 1.743 33.771 31.823 0.341 0.000 0.991 221 V HN 0.633 nan 8.190 nan 0.000 0.427 222 L N 3.670 124.984 121.223 0.151 0.000 2.417 222 L HA 0.641 4.977 4.340 -0.006 0.000 0.268 222 L C 0.559 177.621 176.870 0.319 0.000 1.158 222 L CA -0.075 54.858 54.840 0.155 0.000 0.819 222 L CB 0.909 43.042 42.059 0.123 0.000 1.112 222 L HN 0.763 nan 8.230 nan 0.000 0.458 223 A N 4.802 127.779 122.820 0.262 0.000 2.285 223 A HA 0.609 4.926 4.320 -0.006 0.000 0.310 223 A C -0.590 177.330 177.584 0.561 0.000 1.266 223 A CA -0.470 51.799 52.037 0.387 0.000 0.832 223 A CB 1.077 19.884 19.000 -0.323 0.000 1.163 223 A HN 0.765 nan 8.150 nan 0.000 0.499 224 M N 5.665 125.626 119.600 0.602 0.000 2.149 224 M HA 0.444 4.920 4.480 -0.006 0.000 0.342 224 M C -2.602 173.916 176.300 0.364 0.000 1.068 224 M CA -2.190 53.365 55.300 0.425 0.000 0.991 224 M CB 2.157 34.926 32.600 0.281 0.000 1.596 224 M HN 0.357 nan 8.290 nan 0.000 0.439 225 P HA 0.253 nan 4.420 nan 0.000 0.284 225 P C -1.902 175.284 177.300 -0.190 0.000 1.253 225 P CA -0.034 62.864 63.100 -0.336 0.000 0.800 225 P CB 0.484 31.762 31.700 -0.702 0.000 0.961 226 Y N 0.735 120.933 120.300 -0.171 0.000 2.331 226 Y HA 0.311 4.857 4.550 -0.006 0.000 0.334 226 Y C 0.218 176.087 175.900 -0.053 0.000 0.960 226 Y CA -0.404 57.664 58.100 -0.053 0.000 1.130 226 Y CB 1.277 39.745 38.460 0.013 0.000 1.164 226 Y HN 0.219 nan 8.280 nan 0.000 0.458 227 D N 2.032 122.517 120.400 0.141 0.000 2.198 227 D HA 0.389 5.025 4.640 -0.006 0.000 0.245 227 D C -0.522 175.997 176.300 0.366 0.000 1.079 227 D CA -0.087 54.039 54.000 0.210 0.000 0.854 227 D CB 1.713 42.647 40.800 0.223 0.000 1.148 227 D HN 0.380 nan 8.370 nan 0.000 0.456 228 T N 3.322 118.018 114.554 0.236 0.000 2.824 228 T HA 0.447 4.794 4.350 -0.006 0.000 0.282 228 T C -2.524 172.071 174.700 -0.176 0.000 0.993 228 T CA -1.436 60.720 62.100 0.093 0.000 0.967 228 T CB 2.105 71.019 68.868 0.076 0.000 0.960 228 T HN 0.173 nan 8.240 nan 0.000 0.441 229 P HA 0.321 nan 4.420 nan 0.000 0.275 229 P C -0.995 176.019 177.300 -0.478 0.000 1.227 229 P CA -0.405 62.105 63.100 -0.984 0.000 0.781 229 P CB 0.838 31.783 31.700 -1.257 0.000 0.906 230 V N 4.534 124.208 119.914 -0.399 0.000 2.327 230 V HA 0.254 4.370 4.120 -0.006 0.000 0.272 230 V C -2.193 173.785 176.094 -0.193 0.000 1.019 230 V CA -1.907 60.255 62.300 -0.230 0.000 0.814 230 V CB 1.217 32.952 31.823 -0.148 0.000 1.040 230 V HN 0.526 nan 8.190 nan 0.000 0.440 231 P HA 0.280 nan 4.420 nan 0.000 0.281 231 P C 0.472 177.734 177.300 -0.063 0.000 1.252 231 P CA 0.371 63.395 63.100 -0.127 0.000 0.778 231 P CB 1.524 33.147 31.700 -0.128 0.000 0.895 232 G N 2.391 111.170 108.800 -0.035 0.000 2.634 232 G HA2 0.103 4.060 3.960 -0.006 0.000 0.255 232 G HA3 0.103 4.060 3.960 -0.006 0.000 0.255 232 G C -1.141 173.781 174.900 0.037 0.000 1.205 232 G CA -0.397 44.712 45.100 0.016 0.000 0.884 232 G HN 0.463 nan 8.290 nan 0.000 0.549 233 Y N 0.537 120.808 120.300 -0.047 0.000 2.585 233 Y HA 0.303 4.849 4.550 -0.005 0.000 0.354 233 Y C 1.170 177.040 175.900 -0.049 0.000 1.024 233 Y CA -0.319 57.748 58.100 -0.055 0.000 1.321 233 Y CB 0.005 38.429 38.460 -0.060 0.000 1.151 233 Y HN 0.711 nan 8.280 nan 0.000 0.525 234 R N 2.606 122.834 120.500 -0.453 0.000 3.525 234 R HA -0.257 4.079 4.340 -0.006 0.000 0.276 234 R C -0.068 176.114 176.300 -0.196 0.000 1.116 234 R CA 1.157 57.008 56.100 -0.415 0.000 0.745 234 R CB -1.698 28.198 30.300 -0.672 0.000 1.185 234 R HN 0.831 nan 8.270 nan 0.000 0.454 235 N N -1.070 117.560 118.700 -0.116 0.000 2.143 235 N HA 0.074 4.811 4.740 -0.006 0.000 0.222 235 N C -0.176 175.296 175.510 -0.064 0.000 1.264 235 N CA -0.003 53.009 53.050 -0.064 0.000 0.897 235 N CB 0.305 38.780 38.487 -0.021 0.000 1.092 235 N HN 0.197 nan 8.380 nan 0.000 0.516 236 N N -0.649 118.008 118.700 -0.073 0.000 2.800 236 N HA -0.129 4.607 4.740 -0.006 0.000 0.250 236 N C -1.118 174.359 175.510 -0.056 0.000 1.078 236 N CA 0.648 53.661 53.050 -0.061 0.000 0.804 236 N CB -1.643 36.807 38.487 -0.061 0.000 1.135 236 N HN 0.229 nan 8.380 nan 0.000 0.565 237 V N 1.253 121.138 119.914 -0.047 0.000 2.432 237 V HA 0.388 4.504 4.120 -0.006 0.000 0.275 237 V C 0.596 176.667 176.094 -0.038 0.000 1.043 237 V CA -0.510 61.771 62.300 -0.032 0.000 0.925 237 V CB 1.999 33.828 31.823 0.012 0.000 0.985 237 V HN -0.026 nan 8.190 nan 0.000 0.466 238 V N 5.636 125.531 119.914 -0.032 0.000 2.349 238 V HA 0.361 4.478 4.120 -0.006 0.000 0.284 238 V C 0.173 176.251 176.094 -0.026 0.000 1.014 238 V CA -0.748 61.495 62.300 -0.096 0.000 0.826 238 V CB 0.909 32.626 31.823 -0.177 0.000 1.009 238 V HN 0.917 nan 8.190 nan 0.000 0.431 239 N N 2.074 120.737 118.700 -0.062 0.000 2.418 239 N HA 0.593 5.329 4.740 -0.006 0.000 0.283 239 N C -0.359 175.127 175.510 -0.040 0.000 1.267 239 N CA -0.590 52.445 53.050 -0.025 0.000 0.975 239 N CB 0.849 39.287 38.487 -0.081 0.000 1.167 239 N HN 0.567 nan 8.380 nan 0.000 0.581 240 T N 0.868 115.398 114.554 -0.039 0.000 2.861 240 T HA 0.326 4.673 4.350 -0.006 0.000 0.287 240 T C -0.796 173.873 174.700 -0.052 0.000 1.003 240 T CA -0.497 61.651 62.100 0.080 0.000 0.977 240 T CB 1.175 70.210 68.868 0.279 0.000 0.996 240 T HN 0.312 nan 8.240 nan 0.000 0.448 241 M N 3.422 122.968 119.600 -0.090 0.000 2.149 241 M HA 0.512 4.989 4.480 -0.006 0.000 0.342 241 M C -0.486 175.682 176.300 -0.220 0.000 1.068 241 M CA -0.719 54.443 55.300 -0.230 0.000 0.991 241 M CB 0.819 33.243 32.600 -0.292 0.000 1.596 241 M HN 0.463 nan 8.290 nan 0.000 0.439 242 R N 5.659 125.924 120.500 -0.392 0.000 2.265 242 R HA 0.613 4.949 4.340 -0.006 0.000 0.328 242 R C -1.882 174.172 176.300 -0.410 0.000 0.969 242 R CA -0.398 55.419 56.100 -0.472 0.000 0.832 242 R CB 0.850 30.673 30.300 -0.796 0.000 1.139 242 R HN 0.791 nan 8.270 nan 0.000 0.457 243 L N 5.069 126.138 121.223 -0.257 0.000 2.333 243 L HA 0.488 4.824 4.340 -0.006 0.000 0.280 243 L C -0.953 175.901 176.870 -0.027 0.000 1.004 243 L CA -0.866 53.934 54.840 -0.067 0.000 0.820 243 L CB 1.503 43.598 42.059 0.060 0.000 1.247 243 L HN 0.568 nan 8.230 nan 0.000 0.416 244 W N 2.018 123.450 121.300 0.220 0.000 2.351 244 W HA 0.469 5.126 4.660 -0.006 0.000 0.311 244 W C 0.406 177.171 176.519 0.410 0.000 1.168 244 W CA -0.386 57.128 57.345 0.282 0.000 1.200 244 W CB 1.540 31.048 29.460 0.079 0.000 1.221 244 W HN 0.433 nan 8.180 nan 0.000 0.519 245 S N 1.800 117.890 115.700 0.650 0.000 2.501 245 S HA 0.845 5.312 4.470 -0.006 0.000 0.301 245 S C -0.301 174.593 174.600 0.489 0.000 1.096 245 S CA -1.164 57.306 58.200 0.451 0.000 1.063 245 S CB 1.646 65.026 63.200 0.302 0.000 1.042 245 S HN 0.648 nan 8.310 nan 0.000 0.494 246 A N 1.828 124.748 122.820 0.167 0.000 2.409 246 A HA 0.635 4.952 4.320 -0.006 0.000 0.262 246 A C 0.089 177.741 177.584 0.114 0.000 1.113 246 A CA -0.463 51.580 52.037 0.011 0.000 0.790 246 A CB 0.114 18.910 19.000 -0.340 0.000 1.046 246 A HN 0.844 nan 8.150 nan 0.000 0.496 247 K N 2.152 122.648 120.400 0.159 0.000 2.471 247 K HA 0.613 4.930 4.320 -0.006 0.000 0.252 247 K C -0.342 176.320 176.600 0.102 0.000 0.938 247 K CA -0.088 56.279 56.287 0.133 0.000 0.796 247 K CB 1.658 34.257 32.500 0.165 0.000 1.161 247 K HN 0.932 nan 8.250 nan 0.000 0.425 248 A N 5.571 128.433 122.820 0.070 0.000 2.511 248 A HA 0.332 4.649 4.320 -0.006 0.000 0.242 248 A C -1.945 175.672 177.584 0.056 0.000 1.069 248 A CA -0.760 51.310 52.037 0.057 0.000 0.763 248 A CB -0.600 18.422 19.000 0.036 0.000 1.001 248 A HN 0.699 nan 8.150 nan 0.000 0.498 263 I N 1.684 122.218 120.570 -0.059 0.000 2.226 263 I HA -0.224 3.942 4.170 -0.006 0.000 0.245 263 I C 2.135 178.164 176.117 -0.147 0.000 1.100 263 I CA 2.185 63.397 61.300 -0.148 0.000 1.374 263 I CB -1.031 36.979 38.000 0.016 0.000 1.057 263 I HN 0.433 nan 8.210 nan 0.000 0.413 264 Q N 1.255 121.009 119.800 -0.076 0.000 2.119 264 Q HA -0.058 4.279 4.340 -0.006 0.000 0.201 264 Q C 2.240 178.191 176.000 -0.081 0.000 0.972 264 Q CA 2.012 57.779 55.803 -0.059 0.000 0.847 264 Q CB -0.322 28.401 28.738 -0.025 0.000 0.903 264 Q HN 0.458 nan 8.270 nan 0.000 0.433 265 A N -0.736 122.022 122.820 -0.104 0.000 1.933 265 A HA -0.131 4.186 4.320 -0.006 0.000 0.218 265 A C 2.214 179.717 177.584 -0.135 0.000 1.175 265 A CA 1.676 53.654 52.037 -0.100 0.000 0.628 265 A CB -0.682 18.268 19.000 -0.083 0.000 0.814 265 A HN 0.267 nan 8.150 nan 0.000 0.444 266 V N 0.003 119.777 119.914 -0.233 0.000 2.453 266 V HA -0.178 3.938 4.120 -0.006 0.000 0.247 266 V C 2.435 178.460 176.094 -0.115 0.000 1.048 266 V CA 1.676 63.850 62.300 -0.210 0.000 1.049 266 V CB -0.644 30.977 31.823 -0.337 0.000 0.672 266 V HN 0.568 nan 8.190 nan 0.000 0.457 267 L N -0.332 120.831 121.223 -0.100 0.000 2.217 267 L HA -0.088 4.249 4.340 -0.006 0.000 0.211 267 L C 1.950 178.799 176.870 -0.036 0.000 1.107 267 L CA 0.998 55.806 54.840 -0.054 0.000 0.783 267 L CB -0.606 41.427 42.059 -0.044 0.000 0.919 267 L HN 0.303 nan 8.230 nan 0.000 0.442 268 D N 0.198 120.573 120.400 -0.042 0.000 2.348 268 D HA -0.073 4.564 4.640 -0.006 0.000 0.216 268 D C 2.168 178.458 176.300 -0.016 0.000 0.970 268 D CA 0.499 54.484 54.000 -0.025 0.000 0.889 268 D CB 0.024 40.808 40.800 -0.025 0.000 0.912 268 D HN 0.179 nan 8.370 nan 0.000 0.524 269 R N 0.412 120.899 120.500 -0.020 0.000 2.200 269 R HA -0.085 4.252 4.340 -0.006 0.000 0.234 269 R C 1.537 177.839 176.300 0.004 0.000 1.127 269 R CA 0.696 56.793 56.100 -0.006 0.000 0.989 269 R CB -0.073 30.221 30.300 -0.009 0.000 0.869 269 R HN 0.146 nan 8.270 nan 0.000 0.459 270 N N 0.810 119.511 118.700 0.002 0.000 2.149 270 N HA -0.149 4.587 4.740 -0.006 0.000 0.188 270 N C 1.744 177.260 175.510 0.011 0.000 1.019 270 N CA 1.125 54.182 53.050 0.011 0.000 0.857 270 N CB -0.234 38.261 38.487 0.013 0.000 0.997 270 N HN 0.217 nan 8.380 nan 0.000 0.426 271 L N 0.476 121.702 121.223 0.005 0.000 1.989 271 L HA -0.142 4.195 4.340 -0.006 0.000 0.211 271 L C 2.449 179.313 176.870 -0.009 0.000 1.071 271 L CA 1.443 56.284 54.840 0.001 0.000 0.749 271 L CB -0.689 41.371 42.059 0.001 0.000 0.890 271 L HN 0.116 nan 8.230 nan 0.000 0.431 272 A N -0.020 122.798 122.820 -0.003 0.000 1.908 272 A HA -0.221 4.096 4.320 -0.006 0.000 0.218 272 A C 2.145 179.708 177.584 -0.035 0.000 1.181 272 A CA 1.784 53.815 52.037 -0.009 0.000 0.627 272 A CB -0.487 18.531 19.000 0.030 0.000 0.818 272 A HN 0.503 nan 8.150 nan 0.000 0.445 273 E N -0.151 120.042 120.200 -0.011 0.000 2.347 273 E HA -0.090 4.256 4.350 -0.006 0.000 0.196 273 E C 1.047 177.639 176.600 -0.013 0.000 1.008 273 E CA 0.354 56.748 56.400 -0.011 0.000 0.852 273 E CB -0.143 29.569 29.700 0.020 0.000 0.783 273 E HN 0.490 nan 8.360 nan 0.000 0.505 274 N N 0.936 119.634 118.700 -0.003 0.000 2.520 274 N HA -0.076 4.661 4.740 -0.006 0.000 0.185 274 N C 1.561 177.079 175.510 0.014 0.000 1.068 274 N CA 0.563 53.629 53.050 0.026 0.000 0.911 274 N CB -0.008 38.496 38.487 0.030 0.000 0.961 274 N HN 0.269 nan 8.380 nan 0.000 0.446 275 I N 0.291 120.816 120.570 -0.076 0.000 2.286 275 I HA -0.216 3.951 4.170 -0.006 0.000 0.248 275 I C 1.336 177.406 176.117 -0.078 0.000 1.115 275 I CA 1.144 62.365 61.300 -0.132 0.000 1.392 275 I CB -0.178 37.617 38.000 -0.342 0.000 1.065 275 I HN 0.131 nan 8.210 nan 0.000 0.418 276 S N -0.452 115.187 115.700 -0.102 0.000 2.583 276 S HA 0.168 4.635 4.470 -0.006 0.000 0.239 276 S C 1.441 176.143 174.600 0.171 0.000 0.966 276 S CA -0.555 57.657 58.200 0.020 0.000 0.973 276 S CB 0.227 63.414 63.200 -0.022 0.000 0.794 276 S HN 0.231 nan 8.310 nan 0.000 0.463 277 R N 0.960 121.578 120.500 0.196 0.000 2.061 277 R HA 0.226 4.563 4.340 -0.006 0.000 0.230 277 R C 0.458 176.996 176.300 0.396 0.000 1.140 277 R CA 1.401 57.654 56.100 0.256 0.000 0.940 277 R CB -0.171 30.264 30.300 0.224 0.000 0.839 277 R HN 0.404 nan 8.270 nan 0.000 0.429 278 V N 0.441 120.573 119.914 0.364 0.000 2.888 278 V HA 0.344 4.460 4.120 -0.006 0.000 0.309 278 V C -1.502 174.596 176.094 0.006 0.000 1.114 278 V CA -1.323 61.128 62.300 0.251 0.000 0.940 278 V CB 1.771 33.667 31.823 0.123 0.000 1.021 278 V HN 0.184 nan 8.190 nan 0.000 0.426 279 L N 6.790 127.762 121.223 -0.417 0.000 2.410 279 L HA 0.423 4.760 4.340 -0.006 0.000 0.273 279 L C -0.800 175.890 176.870 -0.300 0.000 1.152 279 L CA 0.486 54.813 54.840 -0.855 0.000 0.855 279 L CB 0.313 41.794 42.059 -0.964 0.000 1.129 279 L HN 0.689 nan 8.230 nan 0.000 0.463 280 Y N 7.104 127.303 120.300 -0.168 0.000 2.569 280 Y HA 0.178 4.725 4.550 -0.006 0.000 0.332 280 Y C -1.317 174.576 175.900 -0.011 0.000 1.120 280 Y CA -1.219 56.865 58.100 -0.026 0.000 1.416 280 Y CB 0.321 38.800 38.460 0.032 0.000 1.210 280 Y HN 0.581 nan 8.280 nan 0.000 0.528 281 P HA -0.008 nan 4.420 nan 0.000 0.259 281 P C -1.038 176.396 177.300 0.222 0.000 1.480 281 P CA 0.155 63.362 63.100 0.179 0.000 0.842 281 P CB -0.240 31.616 31.700 0.261 0.000 1.513 282 N N 1.102 119.945 118.700 0.239 0.000 2.415 282 N HA 0.159 4.896 4.740 -0.006 0.000 0.246 282 N C -0.561 175.108 175.510 0.265 0.000 1.078 282 N CA -0.199 53.016 53.050 0.276 0.000 0.942 282 N CB 0.248 38.912 38.487 0.294 0.000 1.140 282 N HN 0.030 nan 8.380 nan 0.000 0.501 283 D N 1.585 122.182 120.400 0.327 0.000 2.280 283 D HA 0.255 4.891 4.640 -0.006 0.000 0.236 283 D C -0.332 176.257 176.300 0.481 0.000 1.082 283 D CA -0.406 53.817 54.000 0.371 0.000 0.834 283 D CB 0.390 41.458 40.800 0.447 0.000 1.100 283 D HN 0.327 nan 8.370 nan 0.000 0.486 284 N N 2.000 120.905 118.700 0.341 0.000 2.714 284 N HA -0.243 4.494 4.740 -0.006 0.000 0.250 284 N C -1.465 174.279 175.510 0.391 0.000 1.117 284 N CA 0.757 53.986 53.050 0.298 0.000 0.719 284 N CB -1.050 37.554 38.487 0.195 0.000 1.081 284 N HN 0.382 nan 8.380 nan 0.000 0.557 285 F N -0.339 119.724 119.950 0.188 0.000 2.613 285 F HA 0.646 5.170 4.527 -0.006 0.000 0.310 285 F C -1.348 174.551 175.800 0.166 0.000 1.085 285 F CA -1.360 56.722 58.000 0.138 0.000 0.945 285 F CB 1.186 40.228 39.000 0.070 0.000 1.298 285 F HN -0.104 nan 8.300 nan 0.000 0.455 286 F N 4.136 123.529 119.950 -0.929 0.000 2.507 286 F HA 0.605 5.129 4.527 -0.006 0.000 0.325 286 F C -1.139 174.164 175.800 -0.828 0.000 1.116 286 F CA -0.331 57.258 58.000 -0.685 0.000 0.930 286 F CB 1.420 40.104 39.000 -0.527 0.000 1.146 286 F HN 0.579 nan 8.300 nan 0.000 0.447 287 E N 2.623 122.072 120.200 -1.251 0.000 2.314 287 E HA 0.447 4.793 4.350 -0.006 0.000 0.272 287 E C -0.392 175.353 176.600 -1.426 0.000 0.884 287 E CA -0.972 54.743 56.400 -1.141 0.000 0.753 287 E CB 1.860 31.338 29.700 -0.369 0.000 1.213 287 E HN 0.903 nan 8.360 nan 0.000 0.432 288 G N 3.312 111.435 108.800 -1.128 0.000 3.353 288 G HA2 0.028 3.985 3.960 -0.006 0.000 0.247 288 G HA3 0.028 3.985 3.960 -0.006 0.000 0.247 288 G C 0.014 174.923 174.900 0.016 0.000 1.025 288 G CA -0.065 44.658 45.100 -0.628 0.000 1.863 288 G HN 0.169 nan 8.290 nan 0.000 0.635 289 K N 0.467 120.857 120.400 -0.017 0.000 2.416 289 K HA 0.089 4.406 4.320 -0.006 0.000 0.283 289 K C 1.355 178.076 176.600 0.202 0.000 1.037 289 K CA -0.130 56.211 56.287 0.090 0.000 0.995 289 K CB 1.086 33.591 32.500 0.010 0.000 0.938 289 K HN 0.389 nan 8.250 nan 0.000 0.475 290 E N 2.751 123.034 120.200 0.139 0.000 2.150 290 E HA -0.193 4.154 4.350 -0.006 0.000 0.193 290 E C 1.391 177.992 176.600 0.003 0.000 0.985 290 E CA 0.784 57.222 56.400 0.062 0.000 0.814 290 E CB 0.143 29.881 29.700 0.064 0.000 0.752 290 E HN 0.506 nan 8.360 nan 0.000 0.466 291 L N 1.301 122.565 121.223 0.069 0.000 2.083 291 L HA -0.150 4.187 4.340 -0.006 0.000 0.209 291 L C 2.399 179.318 176.870 0.081 0.000 1.083 291 L CA 1.473 56.372 54.840 0.098 0.000 0.752 291 L CB -0.448 41.752 42.059 0.234 0.000 0.899 291 L HN 0.005 nan 8.230 nan 0.000 0.433 292 R N -0.437 120.027 120.500 -0.061 0.000 2.080 292 R HA -0.166 4.171 4.340 -0.006 0.000 0.236 292 R C 2.256 178.550 176.300 -0.011 0.000 1.137 292 R CA 1.903 57.903 56.100 -0.166 0.000 0.943 292 R CB -1.230 28.892 30.300 -0.296 0.000 0.846 292 R HN 0.400 nan 8.270 nan 0.000 0.431 293 L N 1.703 122.818 121.223 -0.178 0.000 2.042 293 L HA -0.175 4.162 4.340 -0.006 0.000 0.210 293 L C 2.053 178.840 176.870 -0.137 0.000 1.076 293 L CA 1.924 56.476 54.840 -0.479 0.000 0.749 293 L CB -0.387 41.097 42.059 -0.957 0.000 0.893 293 L HN 0.079 nan 8.230 nan 0.000 0.432 294 K N -1.113 119.247 120.400 -0.067 0.000 2.097 294 K HA -0.197 4.119 4.320 -0.006 0.000 0.206 294 K C 2.087 178.831 176.600 0.240 0.000 1.049 294 K CA 1.700 58.011 56.287 0.041 0.000 0.933 294 K CB -0.163 32.174 32.500 -0.272 0.000 0.717 294 K HN 0.528 nan 8.250 nan 0.000 0.442 295 Q N 0.620 120.529 119.800 0.183 0.000 2.050 295 Q HA -0.188 4.148 4.340 -0.006 0.000 0.202 295 Q C 1.893 178.082 176.000 0.314 0.000 0.980 295 Q CA 1.512 57.483 55.803 0.280 0.000 0.840 295 Q CB -0.020 28.901 28.738 0.305 0.000 0.898 295 Q HN 0.401 nan 8.270 nan 0.000 0.424 296 E N -0.304 120.033 120.200 0.228 0.000 2.150 296 E HA -0.196 4.151 4.350 -0.006 0.000 0.193 296 E C 1.667 178.376 176.600 0.181 0.000 0.985 296 E CA 0.867 57.388 56.400 0.201 0.000 0.814 296 E CB -0.104 29.696 29.700 0.167 0.000 0.752 296 E HN 0.328 nan 8.360 nan 0.000 0.466 297 Y N 0.569 120.913 120.300 0.072 0.000 2.243 297 Y HA -0.173 4.374 4.550 -0.006 0.000 0.293 297 Y C 1.953 177.884 175.900 0.050 0.000 1.124 297 Y CA 0.806 58.910 58.100 0.005 0.000 1.159 297 Y CB -0.420 38.027 38.460 -0.022 0.000 1.008 297 Y HN -0.008 nan 8.280 nan 0.000 0.527 298 F N -0.032 119.908 119.950 -0.017 0.000 2.043 298 F HA -0.311 4.212 4.527 -0.006 0.000 0.297 298 F C 2.519 178.151 175.800 -0.280 0.000 1.118 298 F CA 2.242 60.176 58.000 -0.111 0.000 1.202 298 F CB -1.186 37.893 39.000 0.133 0.000 0.965 298 F HN -0.041 nan 8.300 nan 0.000 0.482 299 V N -0.441 119.391 119.914 -0.137 0.000 2.343 299 V HA -0.222 3.895 4.120 -0.006 0.000 0.247 299 V C 2.236 178.144 176.094 -0.310 0.000 1.051 299 V CA 1.946 64.128 62.300 -0.196 0.000 1.036 299 V CB -0.434 31.493 31.823 0.174 0.000 0.654 299 V HN 0.288 nan 8.190 nan 0.000 0.451 300 V N 0.394 120.154 119.914 -0.256 0.000 2.261 300 V HA -0.202 3.915 4.120 -0.006 0.000 0.246 300 V C 2.809 178.647 176.094 -0.427 0.000 1.047 300 V CA 2.256 64.405 62.300 -0.251 0.000 1.015 300 V CB -1.133 30.626 31.823 -0.107 0.000 0.642 300 V HN 0.648 nan 8.190 nan 0.000 0.446 301 A N -0.324 122.073 122.820 -0.706 0.000 1.902 301 A HA -0.102 4.215 4.320 -0.006 0.000 0.217 301 A C 2.382 179.583 177.584 -0.639 0.000 1.181 301 A CA 2.170 53.789 52.037 -0.697 0.000 0.623 301 A CB -0.787 17.570 19.000 -1.072 0.000 0.818 301 A HN 0.571 nan 8.150 nan 0.000 0.443 302 A N -0.996 121.270 122.820 -0.924 0.000 1.841 302 A HA -0.057 4.260 4.320 -0.006 0.000 0.214 302 A C 2.312 179.358 177.584 -0.897 0.000 1.195 302 A CA 2.293 53.586 52.037 -1.241 0.000 0.611 302 A CB -1.461 16.131 19.000 -2.346 0.000 0.835 302 A HN 0.412 nan 8.150 nan 0.000 0.443 303 T N 0.689 114.827 114.554 -0.693 0.000 2.597 303 T HA -0.212 4.134 4.350 -0.006 0.000 0.267 303 T C 1.830 176.220 174.700 -0.517 0.000 1.053 303 T CA 1.794 63.621 62.100 -0.455 0.000 1.165 303 T CB -0.539 68.085 68.868 -0.407 0.000 0.863 303 T HN 0.331 nan 8.240 nan 0.000 0.427 304 L N 0.478 121.460 121.223 -0.402 0.000 2.083 304 L HA -0.168 4.169 4.340 -0.006 0.000 0.209 304 L C 2.925 179.670 176.870 -0.207 0.000 1.083 304 L CA 1.410 56.078 54.840 -0.287 0.000 0.752 304 L CB -0.454 41.484 42.059 -0.201 0.000 0.899 304 L HN 0.356 nan 8.230 nan 0.000 0.433 305 Q N -0.182 119.491 119.800 -0.211 0.000 2.084 305 Q HA -0.268 4.068 4.340 -0.006 0.000 0.202 305 Q C 1.792 177.760 176.000 -0.055 0.000 0.978 305 Q CA 2.035 57.769 55.803 -0.116 0.000 0.844 305 Q CB 0.062 28.711 28.738 -0.149 0.000 0.898 305 Q HN 0.353 nan 8.270 nan 0.000 0.426 306 D N -0.248 120.104 120.400 -0.080 0.000 2.117 306 D HA -0.121 4.516 4.640 -0.006 0.000 0.198 306 D C 1.676 177.906 176.300 -0.117 0.000 0.982 306 D CA 1.018 55.018 54.000 0.001 0.000 0.828 306 D CB -0.045 40.873 40.800 0.197 0.000 0.967 306 D HN 0.319 nan 8.370 nan 0.000 0.464 307 I N 0.135 120.522 120.570 -0.305 0.000 2.163 307 I HA -0.255 3.912 4.170 -0.006 0.000 0.243 307 I C 2.292 178.415 176.117 0.011 0.000 1.085 307 I CA 0.810 61.884 61.300 -0.377 0.000 1.347 307 I CB -0.196 37.446 38.000 -0.596 0.000 1.044 307 I HN 0.054 nan 8.210 nan 0.000 0.408 308 I N 0.194 120.840 120.570 0.126 0.000 2.226 308 I HA -0.287 3.880 4.170 -0.006 0.000 0.245 308 I C 2.784 179.077 176.117 0.293 0.000 1.100 308 I CA 1.161 62.662 61.300 0.335 0.000 1.374 308 I CB -0.476 37.678 38.000 0.257 0.000 1.057 308 I HN 0.199 nan 8.210 nan 0.000 0.413 309 R N 1.371 121.973 120.500 0.169 0.000 2.083 309 R HA -0.238 4.099 4.340 -0.006 0.000 0.237 309 R C 2.486 178.872 176.300 0.143 0.000 1.137 309 R CA 1.913 58.105 56.100 0.154 0.000 0.951 309 R CB -0.306 30.081 30.300 0.146 0.000 0.851 309 R HN 0.228 nan 8.270 nan 0.000 0.434 310 R N -0.630 119.937 120.500 0.111 0.000 2.120 310 R HA -0.160 4.176 4.340 -0.006 0.000 0.234 310 R C 2.168 178.544 176.300 0.127 0.000 1.123 310 R CA 1.595 57.755 56.100 0.100 0.000 0.975 310 R CB -0.361 29.970 30.300 0.050 0.000 0.866 310 R HN 0.292 nan 8.270 nan 0.000 0.446 311 F N 1.274 121.238 119.950 0.022 0.000 2.186 311 F HA -0.096 4.427 4.527 -0.006 0.000 0.299 311 F C 1.589 177.371 175.800 -0.031 0.000 1.090 311 F CA 1.525 59.518 58.000 -0.011 0.000 1.307 311 F CB 0.108 39.146 39.000 0.063 0.000 1.019 311 F HN -0.124 nan 8.300 nan 0.000 0.489 312 K N 0.112 120.472 120.400 -0.068 0.000 2.167 312 K HA 0.027 4.344 4.320 -0.006 0.000 0.203 312 K C 1.248 177.771 176.600 -0.129 0.000 1.052 312 K CA 0.644 56.827 56.287 -0.173 0.000 0.956 312 K CB -0.217 32.287 32.500 0.007 0.000 0.735 312 K HN 0.130 nan 8.250 nan 0.000 0.451 327 D N 1.196 121.733 120.400 0.228 0.000 2.144 327 D HA -0.095 4.542 4.640 -0.006 0.000 0.199 327 D C 2.189 178.577 176.300 0.145 0.000 0.984 327 D CA 1.603 55.693 54.000 0.149 0.000 0.834 327 D CB 0.111 40.975 40.800 0.108 0.000 0.955 327 D HN 0.323 nan 8.370 nan 0.000 0.465 328 A N -0.151 122.782 122.820 0.189 0.000 2.238 328 A HA -0.006 4.310 4.320 -0.006 0.000 0.208 328 A C 1.715 179.416 177.584 0.194 0.000 1.177 328 A CA -0.144 52.004 52.037 0.183 0.000 0.804 328 A CB -0.674 18.439 19.000 0.187 0.000 0.823 328 A HN 0.135 nan 8.150 nan 0.000 0.482 329 F N 1.872 121.779 119.950 -0.071 0.000 2.091 329 F HA -0.116 4.408 4.527 -0.006 0.000 0.299 329 F C -0.835 174.834 175.800 -0.218 0.000 1.103 329 F CA 2.337 60.050 58.000 -0.477 0.000 1.228 329 F CB -0.624 38.078 39.000 -0.497 0.000 0.984 329 F HN 0.195 nan 8.300 nan 0.000 0.477 330 P HA -0.066 nan 4.420 nan 0.000 0.233 330 P C 0.696 177.959 177.300 -0.062 0.000 1.167 330 P CA 1.243 64.326 63.100 -0.028 0.000 0.770 330 P CB -0.043 31.657 31.700 0.001 0.000 0.837 331 D N -0.536 119.845 120.400 -0.031 0.000 2.317 331 D HA -0.021 4.615 4.640 -0.006 0.000 0.211 331 D C 1.423 177.705 176.300 -0.031 0.000 0.966 331 D CA 0.936 54.927 54.000 -0.015 0.000 0.876 331 D CB 0.091 40.903 40.800 0.019 0.000 0.927 331 D HN 0.276 nan 8.370 nan 0.000 0.519 332 K N -0.197 120.161 120.400 -0.070 0.000 2.402 332 K HA 0.199 4.516 4.320 -0.006 0.000 0.203 332 K C -0.170 176.325 176.600 -0.176 0.000 1.077 332 K CA 0.101 56.349 56.287 -0.065 0.000 1.051 332 K CB 2.551 35.116 32.500 0.109 0.000 0.907 332 K HN -0.121 nan 8.250 nan 0.000 0.554 333 V N 1.440 121.174 119.914 -0.300 0.000 2.577 333 V HA 0.510 4.627 4.120 -0.006 0.000 0.303 333 V C -1.108 174.908 176.094 -0.131 0.000 1.042 333 V CA -1.063 61.066 62.300 -0.285 0.000 0.872 333 V CB 1.633 33.007 31.823 -0.748 0.000 0.998 333 V HN 0.138 nan 8.190 nan 0.000 0.423 334 A N 6.059 128.831 122.820 -0.080 0.000 2.330 334 A HA 0.909 5.225 4.320 -0.006 0.000 0.313 334 A C -0.859 176.744 177.584 0.033 0.000 1.124 334 A CA -0.452 51.571 52.037 -0.024 0.000 0.774 334 A CB 0.800 19.723 19.000 -0.128 0.000 1.198 334 A HN 0.782 nan 8.150 nan 0.000 0.465 335 I N 2.053 122.694 120.570 0.118 0.000 2.355 335 I HA 0.280 4.446 4.170 -0.006 0.000 0.288 335 I C -0.215 175.987 176.117 0.142 0.000 0.999 335 I CA -0.518 60.863 61.300 0.135 0.000 1.163 335 I CB 1.821 39.883 38.000 0.104 0.000 1.316 335 I HN 0.683 nan 8.210 nan 0.000 0.454 336 Q N 6.770 126.648 119.800 0.130 0.000 2.303 336 Q HA 0.489 4.826 4.340 -0.006 0.000 0.257 336 Q C -1.254 174.728 176.000 -0.029 0.000 0.941 336 Q CA -0.236 55.667 55.803 0.167 0.000 0.931 336 Q CB 1.318 30.283 28.738 0.378 0.000 1.215 336 Q HN 0.580 nan 8.270 nan 0.000 0.437 337 L N 3.996 125.247 121.223 0.046 0.000 2.268 337 L HA 0.367 4.704 4.340 -0.006 0.000 0.289 337 L C 0.028 176.914 176.870 0.026 0.000 1.064 337 L CA -0.687 54.174 54.840 0.036 0.000 0.824 337 L CB 0.525 42.659 42.059 0.126 0.000 1.202 337 L HN 0.570 nan 8.230 nan 0.000 0.433 338 N N 4.492 123.129 118.700 -0.106 0.000 2.448 338 N HA 0.048 4.784 4.740 -0.006 0.000 0.250 338 N C -0.119 175.423 175.510 0.054 0.000 1.136 338 N CA 0.531 53.585 53.050 0.007 0.000 0.953 338 N CB -0.085 38.345 38.487 -0.094 0.000 1.251 338 N HN 0.592 nan 8.380 nan 0.000 0.502 339 D N -0.150 120.352 120.400 0.169 0.000 4.658 339 D HA -0.225 4.412 4.640 -0.006 0.000 0.304 339 D C 0.372 176.736 176.300 0.106 0.000 2.363 339 D CA 1.528 55.583 54.000 0.091 0.000 1.179 339 D CB -0.500 40.083 40.800 -0.362 0.000 1.091 339 D HN 0.514 nan 8.370 nan 0.000 1.274 340 T N -2.510 112.046 114.554 0.003 0.000 3.129 340 T HA 0.098 4.444 4.350 -0.006 0.000 0.251 340 T C 1.642 176.414 174.700 0.120 0.000 1.117 340 T CA 1.502 63.611 62.100 0.015 0.000 1.034 340 T CB -0.474 68.375 68.868 -0.032 0.000 0.968 340 T HN 0.509 nan 8.240 nan 0.000 0.526 341 H N 2.706 121.871 119.070 0.158 0.000 2.319 341 H HA -0.012 4.541 4.556 -0.006 0.000 0.297 341 H C -0.782 174.634 175.328 0.147 0.000 1.097 341 H CA 1.180 57.334 56.048 0.176 0.000 1.285 341 H CB -0.998 28.869 29.762 0.176 0.000 1.368 341 H HN 0.437 nan 8.280 nan 0.000 0.495 342 P HA 0.065 nan 4.420 nan 0.000 0.254 342 P C 0.858 178.203 177.300 0.074 0.000 1.494 342 P CA 0.448 63.627 63.100 0.132 0.000 0.961 342 P CB 0.288 32.053 31.700 0.110 0.000 1.493 343 S N -0.006 115.731 115.700 0.061 0.000 2.402 343 S HA -0.188 4.279 4.470 -0.006 0.000 0.233 343 S C 1.782 176.384 174.600 0.005 0.000 1.030 343 S CA 0.880 59.077 58.200 -0.004 0.000 1.003 343 S CB -1.380 61.794 63.200 -0.044 0.000 0.813 343 S HN -0.004 nan 8.310 nan 0.000 0.477 344 L N 1.995 123.232 121.223 0.023 0.000 2.351 344 L HA 0.053 4.390 4.340 -0.006 0.000 0.220 344 L C 2.807 179.711 176.870 0.057 0.000 1.127 344 L CA 0.912 55.764 54.840 0.020 0.000 0.786 344 L CB -1.835 40.229 42.059 0.008 0.000 0.914 344 L HN 0.504 nan 8.230 nan 0.000 0.443 345 A N -0.576 122.264 122.820 0.033 0.000 1.978 345 A HA -0.210 4.106 4.320 -0.006 0.000 0.220 345 A C 2.308 179.898 177.584 0.010 0.000 1.170 345 A CA 1.651 53.696 52.037 0.012 0.000 0.636 345 A CB -0.502 18.494 19.000 -0.006 0.000 0.810 345 A HN 0.417 nan 8.150 nan 0.000 0.448 346 I N 0.308 120.887 120.570 0.015 0.000 2.090 346 I HA -0.164 4.002 4.170 -0.006 0.000 0.236 346 I C -0.343 175.811 176.117 0.062 0.000 1.064 346 I CA 1.710 63.026 61.300 0.026 0.000 1.324 346 I CB -1.064 36.959 38.000 0.038 0.000 1.044 346 I HN 0.241 nan 8.210 nan 0.000 0.399 347 P HA -0.159 nan 4.420 nan 0.000 0.221 347 P C 1.277 178.595 177.300 0.030 0.000 1.150 347 P CA 1.444 64.582 63.100 0.065 0.000 0.800 347 P CB 0.014 31.771 31.700 0.094 0.000 0.787 348 E N 0.299 120.589 120.200 0.150 0.000 2.106 348 E HA -0.148 4.199 4.350 -0.006 0.000 0.192 348 E C 1.892 178.481 176.600 -0.019 0.000 0.984 348 E CA 0.700 57.205 56.400 0.174 0.000 0.806 348 E CB -1.186 28.703 29.700 0.315 0.000 0.750 348 E HN 0.035 nan 8.360 nan 0.000 0.458 349 L N -0.187 120.997 121.223 -0.065 0.000 2.093 349 L HA -0.039 4.297 4.340 -0.006 0.000 0.208 349 L C 2.046 178.782 176.870 -0.224 0.000 1.085 349 L CA 1.523 56.264 54.840 -0.165 0.000 0.755 349 L CB -0.403 41.557 42.059 -0.165 0.000 0.904 349 L HN 0.211 nan 8.230 nan 0.000 0.435 350 M N -0.717 118.778 119.600 -0.175 0.000 2.159 350 M HA -0.198 4.279 4.480 -0.006 0.000 0.263 350 M C 2.425 178.576 176.300 -0.247 0.000 1.063 350 M CA 1.465 56.625 55.300 -0.233 0.000 1.110 350 M CB -1.158 31.330 32.600 -0.186 0.000 1.374 350 M HN 0.338 nan 8.290 nan 0.000 0.411 351 R N -0.119 120.246 120.500 -0.226 0.000 2.075 351 R HA -0.102 4.234 4.340 -0.006 0.000 0.232 351 R C 2.010 178.193 176.300 -0.195 0.000 1.126 351 R CA 1.332 57.284 56.100 -0.247 0.000 0.963 351 R CB -0.007 30.069 30.300 -0.374 0.000 0.858 351 R HN 0.208 nan 8.270 nan 0.000 0.435 352 V N 1.430 121.229 119.914 -0.193 0.000 2.244 352 V HA -0.233 3.883 4.120 -0.006 0.000 0.244 352 V C 2.440 178.360 176.094 -0.290 0.000 1.042 352 V CA 1.636 63.817 62.300 -0.199 0.000 1.006 352 V CB -0.473 31.235 31.823 -0.193 0.000 0.641 352 V HN 0.312 nan 8.190 nan 0.000 0.446 353 L N -0.256 120.724 121.223 -0.405 0.000 2.043 353 L HA -0.188 4.149 4.340 -0.006 0.000 0.212 353 L C 2.409 179.082 176.870 -0.330 0.000 1.075 353 L CA 1.340 55.875 54.840 -0.509 0.000 0.752 353 L CB -0.730 40.992 42.059 -0.563 0.000 0.891 353 L HN 0.217 nan 8.230 nan 0.000 0.432 354 V N -0.703 119.059 119.914 -0.253 0.000 2.331 354 V HA -0.182 3.935 4.120 -0.006 0.000 0.242 354 V C 1.882 177.916 176.094 -0.100 0.000 1.034 354 V CA 1.742 63.949 62.300 -0.155 0.000 1.027 354 V CB -0.377 31.369 31.823 -0.128 0.000 0.667 354 V HN 0.359 nan 8.190 nan 0.000 0.457 355 D N -0.302 120.035 120.400 -0.105 0.000 2.249 355 D HA 0.048 4.685 4.640 -0.006 0.000 0.205 355 D C 1.908 178.173 176.300 -0.059 0.000 0.962 355 D CA 0.993 54.952 54.000 -0.068 0.000 0.860 355 D CB 0.244 41.001 40.800 -0.073 0.000 0.955 355 D HN 0.346 nan 8.370 nan 0.000 0.505 356 L N -0.069 121.103 121.223 -0.084 0.000 2.547 356 L HA 0.163 4.499 4.340 -0.006 0.000 0.218 356 L C 1.628 178.460 176.870 -0.064 0.000 1.048 356 L CA 0.278 55.081 54.840 -0.061 0.000 0.859 356 L CB 0.294 42.319 42.059 -0.056 0.000 1.128 356 L HN -0.235 nan 8.230 nan 0.000 0.483 357 E N 0.899 121.021 120.200 -0.129 0.000 2.474 357 E HA 0.025 4.372 4.350 -0.006 0.000 0.194 357 E C 0.011 176.562 176.600 -0.080 0.000 1.041 357 E CA -0.032 56.294 56.400 -0.123 0.000 0.874 357 E CB 0.310 29.799 29.700 -0.351 0.000 0.914 357 E HN 0.152 nan 8.360 nan 0.000 0.498 358 R N -0.329 120.125 120.500 -0.077 0.000 3.531 358 R HA -0.174 4.163 4.340 -0.006 0.000 0.280 358 R C -0.385 175.895 176.300 -0.034 0.000 1.130 358 R CA 0.229 56.307 56.100 -0.037 0.000 0.757 358 R CB -2.642 27.655 30.300 -0.005 0.000 1.218 358 R HN 0.101 nan 8.270 nan 0.000 0.454 359 L N 0.138 121.312 121.223 -0.082 0.000 2.375 359 L HA 0.367 4.704 4.340 -0.006 0.000 0.271 359 L C 1.266 178.120 176.870 -0.027 0.000 1.107 359 L CA 0.834 55.634 54.840 -0.067 0.000 0.806 359 L CB 0.591 42.561 42.059 -0.149 0.000 1.146 359 L HN 0.403 nan 8.230 nan 0.000 0.447 360 D N 1.074 121.485 120.400 0.018 0.000 2.423 360 D HA -0.114 4.522 4.640 -0.006 0.000 0.238 360 D C 0.471 176.834 176.300 0.104 0.000 1.142 360 D CA 0.082 54.129 54.000 0.077 0.000 0.884 360 D CB 0.305 41.156 40.800 0.086 0.000 1.199 360 D HN 0.772 nan 8.370 nan 0.000 0.438 361 W N 0.477 121.781 121.300 0.006 0.000 2.332 361 W HA -0.051 4.605 4.660 -0.006 0.000 0.321 361 W C 2.798 179.363 176.519 0.076 0.000 1.219 361 W CA 3.321 60.676 57.345 0.017 0.000 1.277 361 W CB -0.451 29.000 29.460 -0.013 0.000 1.161 361 W HN 0.749 nan 8.180 nan 0.000 0.476 362 D N -0.081 120.595 120.400 0.461 0.000 2.158 362 D HA -0.278 4.359 4.640 -0.006 0.000 0.197 362 D C 1.665 178.097 176.300 0.219 0.000 0.995 362 D CA 2.042 56.272 54.000 0.384 0.000 0.846 362 D CB -0.717 40.248 40.800 0.276 0.000 0.941 362 D HN 0.155 nan 8.370 nan 0.000 0.456 363 K N 0.087 120.561 120.400 0.123 0.000 2.062 363 K HA 0.263 4.579 4.320 -0.006 0.000 0.205 363 K C 2.284 178.871 176.600 -0.021 0.000 1.051 363 K CA 1.491 57.810 56.287 0.054 0.000 0.941 363 K CB -0.492 32.034 32.500 0.044 0.000 0.719 363 K HN 0.292 nan 8.250 nan 0.000 0.440 364 A N 0.329 123.093 122.820 -0.092 0.000 1.933 364 A HA -0.165 4.151 4.320 -0.006 0.000 0.218 364 A C 2.178 179.642 177.584 -0.200 0.000 1.175 364 A CA 1.349 53.257 52.037 -0.215 0.000 0.628 364 A CB -1.065 17.741 19.000 -0.323 0.000 0.814 364 A HN 0.684 nan 8.150 nan 0.000 0.444 365 W N 0.765 121.825 121.300 -0.399 0.000 2.436 365 W HA -0.132 4.525 4.660 -0.006 0.000 0.284 365 W C 2.284 178.730 176.519 -0.121 0.000 1.225 365 W CA 2.017 59.158 57.345 -0.340 0.000 1.271 365 W CB -0.027 29.201 29.460 -0.386 0.000 1.114 365 W HN 0.547 nan 8.180 nan 0.000 0.559 366 E N 0.596 120.755 120.200 -0.068 0.000 2.051 366 E HA -0.188 4.159 4.350 -0.006 0.000 0.192 366 E C 1.873 178.369 176.600 -0.173 0.000 0.991 366 E CA 2.132 58.463 56.400 -0.115 0.000 0.799 366 E CB -1.121 28.580 29.700 0.002 0.000 0.748 366 E HN 0.163 nan 8.360 nan 0.000 0.449 367 V N 1.468 121.301 119.914 -0.136 0.000 2.295 367 V HA -0.265 3.852 4.120 -0.006 0.000 0.246 367 V C 2.830 178.830 176.094 -0.157 0.000 1.049 367 V CA 2.404 64.639 62.300 -0.108 0.000 1.024 367 V CB -0.935 30.822 31.823 -0.110 0.000 0.648 367 V HN 0.604 nan 8.190 nan 0.000 0.447 368 T N 0.190 114.579 114.554 -0.275 0.000 2.652 368 T HA -0.179 4.168 4.350 -0.006 0.000 0.267 368 T C 1.944 176.432 174.700 -0.353 0.000 1.039 368 T CA 1.858 63.769 62.100 -0.314 0.000 1.153 368 T CB -0.288 68.352 68.868 -0.380 0.000 0.863 368 T HN 0.288 nan 8.240 nan 0.000 0.428 369 V N 1.189 120.761 119.914 -0.570 0.000 2.427 369 V HA -0.131 3.985 4.120 -0.006 0.000 0.248 369 V C 2.329 178.353 176.094 -0.116 0.000 1.051 369 V CA 1.560 63.595 62.300 -0.443 0.000 1.048 369 V CB -0.488 30.973 31.823 -0.603 0.000 0.666 369 V HN 0.431 nan 8.190 nan 0.000 0.456 370 K N -0.270 120.046 120.400 -0.139 0.000 2.283 370 K HA -0.090 4.226 4.320 -0.006 0.000 0.202 370 K C 2.104 178.661 176.600 -0.072 0.000 1.048 370 K CA 1.549 57.745 56.287 -0.152 0.000 0.948 370 K CB -0.218 32.194 32.500 -0.147 0.000 0.742 370 K HN 0.502 nan 8.250 nan 0.000 0.458 371 T N 0.157 114.725 114.554 0.024 0.000 2.852 371 T HA -0.004 4.342 4.350 -0.006 0.000 0.256 371 T C 0.998 175.802 174.700 0.174 0.000 1.038 371 T CA 0.488 62.647 62.100 0.098 0.000 1.141 371 T CB 0.022 68.975 68.868 0.142 0.000 0.869 371 T HN 0.164 nan 8.240 nan 0.000 0.439 372 C N 2.260 121.639 119.300 0.133 0.000 2.463 372 C HA 0.861 5.317 4.460 -0.006 0.000 0.380 372 C C 0.670 175.729 174.990 0.114 0.000 1.264 372 C CA -1.231 57.852 59.018 0.108 0.000 2.161 372 C CB -0.054 27.692 27.740 0.009 0.000 2.515 372 C HN 0.638 nan 8.230 nan 0.000 0.565 373 A N 1.862 124.739 122.820 0.095 0.000 2.498 373 A HA 0.770 5.087 4.320 -0.006 0.000 0.298 373 A C -1.648 176.008 177.584 0.120 0.000 1.075 373 A CA -0.382 51.658 52.037 0.005 0.000 0.714 373 A CB 1.151 20.137 19.000 -0.023 0.000 1.299 373 A HN 0.890 nan 8.150 nan 0.000 0.407 374 Y N 0.843 121.094 120.300 -0.081 0.000 2.350 374 Y HA 0.657 5.203 4.550 -0.005 0.000 0.338 374 Y C -0.594 175.293 175.900 -0.022 0.000 0.961 374 Y CA -0.595 57.467 58.100 -0.064 0.000 1.100 374 Y CB 2.016 40.392 38.460 -0.141 0.000 1.179 374 Y HN 0.537 nan 8.280 nan 0.000 0.454 375 T N 7.107 121.480 114.554 -0.300 0.000 2.756 375 T HA 0.224 4.571 4.350 -0.006 0.000 0.290 375 T C -0.562 173.748 174.700 -0.650 0.000 0.985 375 T CA -0.770 61.105 62.100 -0.377 0.000 0.955 375 T CB 0.163 69.019 68.868 -0.018 0.000 0.930 375 T HN 0.689 nan 8.240 nan 0.000 0.451 376 N N 2.002 120.285 118.700 -0.696 0.000 2.499 376 N HA 0.101 4.838 4.740 -0.006 0.000 0.281 376 N C 0.166 175.587 175.510 -0.147 0.000 1.098 376 N CA -0.310 52.552 53.050 -0.314 0.000 0.979 376 N CB 0.692 39.160 38.487 -0.033 0.000 1.121 376 N HN 0.652 nan 8.380 nan 0.000 0.466 377 H N 1.186 120.289 119.070 0.055 0.000 2.827 377 H HA 0.138 4.690 4.556 -0.006 0.000 0.269 377 H C -0.172 175.084 175.328 -0.121 0.000 1.031 377 H CA 0.181 56.214 56.048 -0.025 0.000 1.202 377 H CB 1.149 30.906 29.762 -0.009 0.000 1.511 377 H HN 0.503 nan 8.280 nan 0.000 0.517 378 T N 0.388 114.987 114.554 0.075 0.000 3.047 378 T HA 0.182 4.529 4.350 -0.006 0.000 0.340 378 T C 0.689 175.430 174.700 0.069 0.000 1.421 378 T CA -0.461 61.633 62.100 -0.009 0.000 1.090 378 T CB 1.215 70.062 68.868 -0.034 0.000 1.292 378 T HN -0.027 nan 8.240 nan 0.000 0.480 379 V N 2.841 122.772 119.914 0.028 0.000 3.647 379 V HA 0.557 4.674 4.120 -0.006 0.000 0.279 379 V C 1.030 177.102 176.094 -0.037 0.000 1.314 379 V CA 0.183 62.474 62.300 -0.015 0.000 1.125 379 V CB -0.689 31.117 31.823 -0.027 0.000 0.907 379 V HN 0.792 nan 8.190 nan 0.000 0.434 380 I N 2.844 123.387 120.570 -0.045 0.000 2.662 380 I HA 0.130 4.297 4.170 -0.006 0.000 0.285 380 I C -0.928 175.200 176.117 0.018 0.000 1.161 380 I CA -1.029 60.265 61.300 -0.011 0.000 1.415 380 I CB 1.445 39.420 38.000 -0.041 0.000 1.385 380 I HN 0.163 nan 8.210 nan 0.000 0.552 381 P HA -0.172 nan 4.420 nan 0.000 0.219 381 P C 1.073 178.377 177.300 0.007 0.000 1.150 381 P CA 0.832 63.937 63.100 0.009 0.000 0.814 381 P CB 0.014 31.722 31.700 0.013 0.000 0.787 382 E N 0.249 120.480 120.200 0.051 0.000 2.338 382 E HA -0.086 4.261 4.350 -0.006 0.000 0.197 382 E C 1.567 178.149 176.600 -0.031 0.000 1.007 382 E CA 1.248 57.668 56.400 0.033 0.000 0.849 382 E CB -0.869 28.944 29.700 0.188 0.000 0.774 382 E HN 0.180 nan 8.360 nan 0.000 0.506 383 A N 1.256 124.097 122.820 0.035 0.000 2.123 383 A HA 0.120 4.436 4.320 -0.006 0.000 0.214 383 A C 1.294 178.866 177.584 -0.020 0.000 1.152 383 A CA -0.217 51.853 52.037 0.056 0.000 0.728 383 A CB -0.062 19.000 19.000 0.103 0.000 0.814 383 A HN 0.207 nan 8.150 nan 0.000 0.464 384 L N 1.985 123.151 121.223 -0.095 0.000 2.477 384 L HA 0.095 4.432 4.340 -0.006 0.000 0.272 384 L C -0.162 176.360 176.870 -0.579 0.000 1.157 384 L CA 0.579 55.297 54.840 -0.204 0.000 0.889 384 L CB -0.077 41.895 42.059 -0.145 0.000 1.158 384 L HN 0.396 nan 8.230 nan 0.000 0.473 385 E N 5.948 125.730 120.200 -0.697 0.000 2.166 385 E HA 0.142 4.488 4.350 -0.006 0.000 0.279 385 E C -0.492 175.428 176.600 -1.133 0.000 1.095 385 E CA -0.153 55.383 56.400 -1.441 0.000 0.888 385 E CB 0.512 29.792 29.700 -0.701 0.000 1.041 385 E HN 0.401 nan 8.360 nan 0.000 0.414 386 R N 3.831 123.474 120.500 -1.427 0.000 2.407 386 R HA 0.256 4.592 4.340 -0.006 0.000 0.298 386 R C -1.197 174.933 176.300 -0.283 0.000 1.166 386 R CA -0.666 55.099 56.100 -0.558 0.000 1.006 386 R CB 0.644 30.767 30.300 -0.294 0.000 1.145 386 R HN 0.376 nan 8.270 nan 0.000 0.538 387 W N 3.893 125.183 121.300 -0.018 0.000 2.287 387 W HA 0.285 4.942 4.660 -0.005 0.000 0.313 387 W C -1.928 174.640 176.519 0.082 0.000 1.267 387 W CA -2.330 55.087 57.345 0.120 0.000 1.201 387 W CB 0.659 30.160 29.460 0.068 0.000 1.196 387 W HN 0.272 nan 8.180 nan 0.000 0.536 388 P HA -0.105 nan 4.420 nan 0.000 0.261 388 P C 0.883 178.316 177.300 0.223 0.000 1.183 388 P CA 0.332 63.578 63.100 0.243 0.000 0.761 388 P CB 0.612 32.451 31.700 0.232 0.000 0.785 389 V N 3.474 123.492 119.914 0.173 0.000 2.317 389 V HA -0.316 3.801 4.120 -0.006 0.000 0.251 389 V C 2.211 178.380 176.094 0.126 0.000 1.065 389 V CA 1.953 64.326 62.300 0.121 0.000 1.049 389 V CB -1.253 30.653 31.823 0.138 0.000 0.651 389 V HN 0.744 nan 8.190 nan 0.000 0.450 390 H N -0.929 118.202 119.070 0.102 0.000 2.353 390 H HA -0.173 4.379 4.556 -0.006 0.000 0.298 390 H C 2.169 177.550 175.328 0.089 0.000 1.103 390 H CA 2.259 58.364 56.048 0.094 0.000 1.293 390 H CB -0.112 29.705 29.762 0.091 0.000 1.372 390 H HN 0.337 nan 8.280 nan 0.000 0.501 391 L N 0.486 121.861 121.223 0.253 0.000 2.093 391 L HA -0.103 4.234 4.340 -0.006 0.000 0.208 391 L C 2.483 179.398 176.870 0.075 0.000 1.085 391 L CA 1.105 56.048 54.840 0.172 0.000 0.755 391 L CB -0.641 41.532 42.059 0.190 0.000 0.904 391 L HN 0.163 nan 8.230 nan 0.000 0.435 392 L N -0.865 120.381 121.223 0.037 0.000 2.141 392 L HA -0.191 4.146 4.340 -0.006 0.000 0.209 392 L C 2.521 179.364 176.870 -0.045 0.000 1.094 392 L CA 1.266 56.067 54.840 -0.064 0.000 0.763 392 L CB -0.451 41.550 42.059 -0.098 0.000 0.908 392 L HN 0.388 nan 8.230 nan 0.000 0.437 393 E N -0.392 119.816 120.200 0.012 0.000 2.031 393 E HA -0.217 4.130 4.350 -0.006 0.000 0.193 393 E C 1.983 178.633 176.600 0.083 0.000 0.994 393 E CA 1.962 58.377 56.400 0.024 0.000 0.800 393 E CB 0.099 29.801 29.700 0.003 0.000 0.752 393 E HN 0.406 nan 8.360 nan 0.000 0.447 394 T N 1.197 115.843 114.554 0.153 0.000 2.737 394 T HA -0.143 4.204 4.350 -0.006 0.000 0.265 394 T C 1.796 176.656 174.700 0.266 0.000 1.038 394 T CA 1.090 63.338 62.100 0.247 0.000 1.144 394 T CB -0.201 68.848 68.868 0.302 0.000 0.866 394 T HN 0.082 nan 8.240 nan 0.000 0.434 395 L N -0.075 121.194 121.223 0.077 0.000 2.095 395 L HA 0.320 4.656 4.340 -0.006 0.000 0.204 395 L C 0.446 177.277 176.870 -0.066 0.000 1.080 395 L CA 1.585 56.316 54.840 -0.182 0.000 0.759 395 L CB 0.016 41.917 42.059 -0.264 0.000 0.914 395 L HN 0.185 nan 8.230 nan 0.000 0.439 396 L N 0.644 121.804 121.223 -0.105 0.000 2.551 396 L HA 0.297 4.634 4.340 -0.006 0.000 0.248 396 L C -1.720 175.010 176.870 -0.234 0.000 1.509 396 L CA -1.037 53.670 54.840 -0.221 0.000 0.842 396 L CB 0.822 42.598 42.059 -0.472 0.000 1.087 396 L HN -0.058 nan 8.230 nan 0.000 0.512 397 P HA -0.207 nan 4.420 nan 0.000 0.215 397 P C 1.514 178.645 177.300 -0.280 0.000 1.153 397 P CA 1.233 64.243 63.100 -0.150 0.000 0.853 397 P CB 0.366 32.047 31.700 -0.032 0.000 0.788 398 R N -0.288 119.867 120.500 -0.576 0.000 2.081 398 R HA -0.164 4.172 4.340 -0.006 0.000 0.235 398 R C 2.367 178.366 176.300 -0.502 0.000 1.131 398 R CA 1.707 57.446 56.100 -0.602 0.000 0.960 398 R CB -1.495 28.228 30.300 -0.961 0.000 0.856 398 R HN 0.240 nan 8.270 nan 0.000 0.436 399 H N -0.236 118.522 119.070 -0.521 0.000 2.353 399 H HA -0.078 4.475 4.556 -0.006 0.000 0.300 399 H C 1.842 176.998 175.328 -0.286 0.000 1.090 399 H CA 1.701 57.526 56.048 -0.373 0.000 1.327 399 H CB -0.140 29.367 29.762 -0.425 0.000 1.383 399 H HN 0.101 nan 8.280 nan 0.000 0.508 400 L N 0.575 121.688 121.223 -0.182 0.000 2.012 400 L HA -0.283 4.053 4.340 -0.006 0.000 0.210 400 L C 1.997 178.709 176.870 -0.264 0.000 1.073 400 L CA 1.693 56.369 54.840 -0.273 0.000 0.748 400 L CB -0.370 41.557 42.059 -0.220 0.000 0.891 400 L HN 0.452 nan 8.230 nan 0.000 0.431 401 Q N -0.214 119.524 119.800 -0.103 0.000 2.045 401 Q HA -0.269 4.068 4.340 -0.006 0.000 0.206 401 Q C 2.135 178.153 176.000 0.029 0.000 0.991 401 Q CA 2.118 57.939 55.803 0.031 0.000 0.851 401 Q CB -0.231 28.523 28.738 0.027 0.000 0.911 401 Q HN 0.572 nan 8.270 nan 0.000 0.418 402 I N 0.278 120.830 120.570 -0.031 0.000 2.286 402 I HA -0.274 3.892 4.170 -0.006 0.000 0.248 402 I C 2.168 178.303 176.117 0.030 0.000 1.115 402 I CA 0.973 62.294 61.300 0.036 0.000 1.392 402 I CB -0.270 37.714 38.000 -0.027 0.000 1.065 402 I HN 0.198 nan 8.210 nan 0.000 0.418 403 I N -0.299 120.231 120.570 -0.066 0.000 2.179 403 I HA -0.318 3.848 4.170 -0.006 0.000 0.242 403 I C 2.448 178.546 176.117 -0.031 0.000 1.088 403 I CA 1.563 62.810 61.300 -0.089 0.000 1.357 403 I CB -0.421 37.462 38.000 -0.195 0.000 1.051 403 I HN 0.139 nan 8.210 nan 0.000 0.409 404 Y N 0.768 121.063 120.300 -0.009 0.000 2.224 404 Y HA -0.265 4.281 4.550 -0.006 0.000 0.289 404 Y C 2.580 178.443 175.900 -0.060 0.000 1.146 404 Y CA 1.492 59.577 58.100 -0.025 0.000 1.182 404 Y CB -0.701 37.739 38.460 -0.035 0.000 0.983 404 Y HN 0.206 nan 8.280 nan 0.000 0.524 405 E N 0.375 120.623 120.200 0.080 0.000 2.046 405 E HA -0.124 4.223 4.350 -0.006 0.000 0.190 405 E C 2.076 178.583 176.600 -0.154 0.000 0.982 405 E CA 1.207 57.546 56.400 -0.102 0.000 0.800 405 E CB -0.532 29.085 29.700 -0.139 0.000 0.756 405 E HN 0.456 nan 8.360 nan 0.000 0.449 406 I N 0.847 121.412 120.570 -0.009 0.000 2.208 406 I HA -0.301 3.866 4.170 -0.006 0.000 0.245 406 I C 2.240 178.337 176.117 -0.033 0.000 1.097 406 I CA 1.468 62.707 61.300 -0.103 0.000 1.363 406 I CB -0.397 37.514 38.000 -0.147 0.000 1.051 406 I HN 0.208 nan 8.210 nan 0.000 0.413 407 N N 0.501 119.231 118.700 0.050 0.000 2.142 407 N HA -0.253 4.483 4.740 -0.006 0.000 0.186 407 N C 1.821 177.406 175.510 0.126 0.000 1.023 407 N CA 1.366 54.503 53.050 0.145 0.000 0.852 407 N CB -0.062 38.531 38.487 0.176 0.000 0.998 407 N HN 0.210 nan 8.380 nan 0.000 0.424 408 Q N 0.673 120.489 119.800 0.027 0.000 2.020 408 Q HA 0.007 4.343 4.340 -0.006 0.000 0.202 408 Q C 2.009 177.979 176.000 -0.050 0.000 0.982 408 Q CA 1.675 57.459 55.803 -0.031 0.000 0.838 408 Q CB -0.145 28.535 28.738 -0.098 0.000 0.899 408 Q HN 0.319 nan 8.270 nan 0.000 0.423 409 R N -1.035 119.399 120.500 -0.109 0.000 2.096 409 R HA -0.108 4.228 4.340 -0.006 0.000 0.235 409 R C 2.140 178.461 176.300 0.035 0.000 1.127 409 R CA 1.382 57.420 56.100 -0.103 0.000 0.968 409 R CB -0.484 29.674 30.300 -0.237 0.000 0.861 409 R HN 0.296 nan 8.270 nan 0.000 0.440 410 F N 1.152 121.078 119.950 -0.040 0.000 2.146 410 F HA -0.086 4.438 4.527 -0.006 0.000 0.298 410 F C 1.734 177.561 175.800 0.045 0.000 1.096 410 F CA 1.331 59.362 58.000 0.052 0.000 1.275 410 F CB -0.081 38.980 39.000 0.101 0.000 1.008 410 F HN -0.104 nan 8.300 nan 0.000 0.480 411 L N 0.010 121.235 121.223 0.004 0.000 2.156 411 L HA -0.192 4.145 4.340 -0.006 0.000 0.208 411 L C 2.014 178.817 176.870 -0.112 0.000 1.095 411 L CA 0.772 55.554 54.840 -0.097 0.000 0.770 411 L CB -0.821 41.248 42.059 0.015 0.000 0.914 411 L HN 0.120 nan 8.230 nan 0.000 0.439 412 N N 0.426 119.079 118.700 -0.078 0.000 2.205 412 N HA -0.155 4.582 4.740 -0.006 0.000 0.186 412 N C 1.887 177.342 175.510 -0.092 0.000 1.015 412 N CA 1.107 54.112 53.050 -0.075 0.000 0.862 412 N CB -0.139 38.308 38.487 -0.066 0.000 0.986 412 N HN 0.331 nan 8.380 nan 0.000 0.429 413 R N -0.035 120.388 120.500 -0.129 0.000 2.075 413 R HA 0.069 4.406 4.340 -0.006 0.000 0.226 413 R C 2.042 178.233 176.300 -0.182 0.000 1.114 413 R CA 0.672 56.688 56.100 -0.140 0.000 0.972 413 R CB -0.272 29.951 30.300 -0.128 0.000 0.869 413 R HN 0.029 nan 8.270 nan 0.000 0.437 414 V N 1.144 120.898 119.914 -0.268 0.000 2.343 414 V HA -0.226 3.890 4.120 -0.006 0.000 0.247 414 V C 2.415 178.495 176.094 -0.024 0.000 1.051 414 V CA 1.987 64.195 62.300 -0.153 0.000 1.036 414 V CB -0.683 30.992 31.823 -0.247 0.000 0.654 414 V HN 0.385 nan 8.190 nan 0.000 0.451 415 A N -0.100 122.683 122.820 -0.061 0.000 1.969 415 A HA -0.012 4.304 4.320 -0.006 0.000 0.218 415 A C 2.368 179.926 177.584 -0.042 0.000 1.169 415 A CA 1.838 53.857 52.037 -0.029 0.000 0.635 415 A CB -0.570 18.406 19.000 -0.041 0.000 0.810 415 A HN 0.558 nan 8.150 nan 0.000 0.445 416 A N -0.505 122.270 122.820 -0.076 0.000 1.970 416 A HA 0.334 4.651 4.320 -0.006 0.000 0.216 416 A C 2.342 179.835 177.584 -0.153 0.000 1.170 416 A CA 1.593 53.574 52.037 -0.092 0.000 0.645 416 A CB -0.626 18.324 19.000 -0.083 0.000 0.816 416 A HN 0.924 nan 8.150 nan 0.000 0.447 417 A N -1.826 120.855 122.820 -0.232 0.000 2.021 417 A HA 0.407 4.724 4.320 -0.006 0.000 0.216 417 A C 0.349 177.484 177.584 -0.748 0.000 1.163 417 A CA 0.492 52.222 52.037 -0.512 0.000 0.676 417 A CB -0.121 18.487 19.000 -0.653 0.000 0.818 417 A HN 0.399 nan 8.150 nan 0.000 0.453 418 F N 0.034 119.937 119.950 -0.078 0.000 2.646 418 F HA 0.334 4.858 4.527 -0.006 0.000 0.336 418 F C -2.850 172.912 175.800 -0.064 0.000 1.437 418 F CA -2.972 54.985 58.000 -0.071 0.000 1.142 418 F CB 0.960 39.909 39.000 -0.085 0.000 1.530 418 F HN -0.068 nan 8.300 nan 0.000 0.591 419 P HA 0.281 nan 4.420 nan 0.000 0.271 419 P C 0.963 178.282 177.300 0.031 0.000 1.226 419 P CA 0.689 63.803 63.100 0.023 0.000 0.765 419 P CB 1.093 32.787 31.700 -0.009 0.000 0.835 420 G N 2.574 111.385 108.800 0.018 0.000 2.176 420 G HA2 -0.223 3.734 3.960 -0.006 0.000 0.253 420 G HA3 -0.223 3.734 3.960 -0.006 0.000 0.253 420 G C 0.263 175.168 174.900 0.009 0.000 0.979 420 G CA -0.142 44.963 45.100 0.010 0.000 0.641 420 G HN 0.581 nan 8.290 nan 0.000 0.530 421 D N 1.301 121.713 120.400 0.020 0.000 2.608 421 D HA 0.424 5.061 4.640 -0.006 0.000 0.224 421 D C 1.856 178.141 176.300 -0.026 0.000 1.123 421 D CA 0.200 54.195 54.000 -0.008 0.000 1.030 421 D CB 0.386 41.174 40.800 -0.020 0.000 1.093 421 D HN 0.110 nan 8.370 nan 0.000 0.497 422 V N 2.005 121.907 119.914 -0.020 0.000 2.332 422 V HA -0.211 3.905 4.120 -0.006 0.000 0.248 422 V C 2.142 178.221 176.094 -0.025 0.000 1.055 422 V CA 1.660 63.949 62.300 -0.019 0.000 1.038 422 V CB -0.220 31.596 31.823 -0.013 0.000 0.651 422 V HN 0.522 nan 8.190 nan 0.000 0.450 423 D N -0.640 119.741 120.400 -0.032 0.000 2.224 423 D HA -0.147 4.490 4.640 -0.006 0.000 0.205 423 D C 2.358 178.626 176.300 -0.054 0.000 0.965 423 D CA 0.732 54.713 54.000 -0.032 0.000 0.852 423 D CB 0.095 40.877 40.800 -0.030 0.000 0.947 423 D HN 0.334 nan 8.370 nan 0.000 0.494 424 R N 0.236 120.681 120.500 -0.091 0.000 2.081 424 R HA -0.099 4.237 4.340 -0.006 0.000 0.235 424 R C 2.622 178.850 176.300 -0.119 0.000 1.131 424 R CA 0.741 56.753 56.100 -0.147 0.000 0.960 424 R CB -0.168 29.996 30.300 -0.227 0.000 0.856 424 R HN 0.193 nan 8.270 nan 0.000 0.436 425 L N 0.573 121.752 121.223 -0.074 0.000 2.012 425 L HA -0.219 4.118 4.340 -0.006 0.000 0.210 425 L C 2.668 179.539 176.870 0.001 0.000 1.073 425 L CA 1.945 56.759 54.840 -0.042 0.000 0.748 425 L CB -0.525 41.520 42.059 -0.023 0.000 0.891 425 L HN 0.300 nan 8.230 nan 0.000 0.431 426 R N -0.064 120.442 120.500 0.011 0.000 2.148 426 R HA -0.130 4.206 4.340 -0.006 0.000 0.227 426 R C 2.218 178.566 176.300 0.079 0.000 1.103 426 R CA 1.008 57.137 56.100 0.048 0.000 0.983 426 R CB -0.399 29.924 30.300 0.039 0.000 0.874 426 R HN 0.197 nan 8.270 nan 0.000 0.451 427 R N 0.265 120.789 120.500 0.040 0.000 2.090 427 R HA 0.164 4.500 4.340 -0.006 0.000 0.228 427 R C 2.059 178.398 176.300 0.066 0.000 1.110 427 R CA 1.699 57.840 56.100 0.068 0.000 0.973 427 R CB 0.004 30.304 30.300 0.001 0.000 0.869 427 R HN 0.271 nan 8.270 nan 0.000 0.440 428 M N -0.332 119.222 119.600 -0.078 0.000 2.510 428 M HA 0.077 4.554 4.480 -0.006 0.000 0.256 428 M C 0.789 177.167 176.300 0.130 0.000 1.132 428 M CA -0.024 55.134 55.300 -0.236 0.000 1.105 428 M CB 0.476 32.809 32.600 -0.446 0.000 1.375 428 M HN -0.052 nan 8.290 nan 0.000 0.477 429 S N 1.221 117.043 115.700 0.205 0.000 2.558 429 S HA 0.022 4.489 4.470 -0.006 0.000 0.291 429 S C 1.128 175.992 174.600 0.440 0.000 1.306 429 S CA -0.160 58.214 58.200 0.290 0.000 1.056 429 S CB 0.537 63.859 63.200 0.203 0.000 0.836 429 S HN 0.365 nan 8.310 nan 0.000 0.504 430 L N 4.097 125.526 121.223 0.345 0.000 2.313 430 L HA 0.101 4.438 4.340 -0.006 0.000 0.214 430 L C 0.328 177.308 176.870 0.183 0.000 1.119 430 L CA 0.190 55.193 54.840 0.271 0.000 0.809 430 L CB -0.457 41.692 42.059 0.151 0.000 0.933 430 L HN 0.402 nan 8.230 nan 0.000 0.449 431 V N 0.874 120.907 119.914 0.199 0.000 2.406 431 V HA 0.161 4.278 4.120 -0.006 0.000 0.272 431 V C 0.195 176.379 176.094 0.150 0.000 1.043 431 V CA -0.568 61.837 62.300 0.175 0.000 0.915 431 V CB 1.119 33.079 31.823 0.227 0.000 0.988 431 V HN 0.169 nan 8.190 nan 0.000 0.466 432 E N 2.930 123.197 120.200 0.111 0.000 2.216 432 E HA 0.421 4.767 4.350 -0.006 0.000 0.279 432 E C -0.701 175.950 176.600 0.084 0.000 0.997 432 E CA -0.662 55.793 56.400 0.091 0.000 0.817 432 E CB 2.131 31.862 29.700 0.052 0.000 1.096 432 E HN 0.642 nan 8.360 nan 0.000 0.393 433 E N 0.510 120.755 120.200 0.075 0.000 2.319 433 E HA 0.569 4.916 4.350 -0.006 0.000 0.268 433 E C -0.226 176.408 176.600 0.056 0.000 1.050 433 E CA 0.243 56.681 56.400 0.064 0.000 0.878 433 E CB 1.421 31.154 29.700 0.055 0.000 1.066 433 E HN 0.644 nan 8.360 nan 0.000 0.406 434 G N 0.247 109.079 108.800 0.054 0.000 2.336 434 G HA2 0.317 4.274 3.960 -0.006 0.000 0.300 434 G HA3 0.317 4.274 3.960 -0.006 0.000 0.300 434 G C -0.021 174.910 174.900 0.052 0.000 1.375 434 G CA -0.183 44.946 45.100 0.048 0.000 0.885 434 G HN 0.532 nan 8.290 nan 0.000 0.599 435 A N -1.272 121.576 122.820 0.046 0.000 2.186 435 A HA 0.388 4.704 4.320 -0.006 0.000 0.219 435 A C 0.934 178.556 177.584 0.062 0.000 1.159 435 A CA 1.948 54.014 52.037 0.048 0.000 0.680 435 A CB -0.199 18.825 19.000 0.039 0.000 0.787 435 A HN 1.508 nan 8.150 nan 0.000 0.467 436 V N 1.285 121.240 119.914 0.067 0.000 2.419 436 V HA 0.169 4.286 4.120 -0.006 0.000 0.287 436 V C -0.353 175.796 176.094 0.091 0.000 1.017 436 V CA -1.036 61.316 62.300 0.086 0.000 0.844 436 V CB 1.532 33.402 31.823 0.079 0.000 1.011 436 V HN 0.274 nan 8.190 nan 0.000 0.429 437 K N 4.762 125.225 120.400 0.106 0.000 2.412 437 K HA 0.490 4.807 4.320 -0.006 0.000 0.281 437 K C -0.212 176.459 176.600 0.120 0.000 1.027 437 K CA -0.140 56.213 56.287 0.110 0.000 0.989 437 K CB 1.041 33.614 32.500 0.122 0.000 0.935 437 K HN 0.565 nan 8.250 nan 0.000 0.475 438 R N 1.898 122.461 120.500 0.103 0.000 2.837 438 R HA 0.477 4.814 4.340 -0.006 0.000 0.271 438 R C -0.530 175.815 176.300 0.075 0.000 0.993 438 R CA -1.036 55.121 56.100 0.095 0.000 0.931 438 R CB 1.374 31.709 30.300 0.059 0.000 1.206 438 R HN 0.376 nan 8.270 nan 0.000 0.474 439 I N 2.101 122.714 120.570 0.072 0.000 2.312 439 I HA 0.137 4.304 4.170 -0.006 0.000 0.290 439 I C -0.050 176.052 176.117 -0.025 0.000 1.008 439 I CA -0.694 60.628 61.300 0.035 0.000 1.226 439 I CB 0.990 39.005 38.000 0.024 0.000 1.371 439 I HN 0.492 nan 8.210 nan 0.000 0.468 440 N N 7.212 125.861 118.700 -0.084 0.000 2.399 440 N HA 0.075 4.811 4.740 -0.006 0.000 0.259 440 N C 0.851 176.248 175.510 -0.189 0.000 1.160 440 N CA -0.269 52.640 53.050 -0.235 0.000 0.946 440 N CB 0.940 39.123 38.487 -0.508 0.000 1.156 440 N HN 0.393 nan 8.380 nan 0.000 0.489 441 M N 2.463 121.961 119.600 -0.170 0.000 2.229 441 M HA -0.058 4.418 4.480 -0.006 0.000 0.264 441 M C 1.974 178.134 176.300 -0.234 0.000 1.063 441 M CA 0.671 55.897 55.300 -0.124 0.000 1.114 441 M CB -1.539 31.044 32.600 -0.028 0.000 1.387 441 M HN 0.597 nan 8.290 nan 0.000 0.420 442 A N -0.169 122.496 122.820 -0.257 0.000 1.902 442 A HA -0.194 4.123 4.320 -0.006 0.000 0.217 442 A C 1.982 179.341 177.584 -0.376 0.000 1.181 442 A CA 1.692 53.529 52.037 -0.332 0.000 0.623 442 A CB -1.217 17.765 19.000 -0.031 0.000 0.818 442 A HN 0.606 nan 8.150 nan 0.000 0.443 443 H N -1.047 117.835 119.070 -0.313 0.000 2.353 443 H HA -0.047 4.505 4.556 -0.006 0.000 0.300 443 H C 2.138 177.266 175.328 -0.334 0.000 1.090 443 H CA 0.933 56.782 56.048 -0.332 0.000 1.327 443 H CB -0.113 29.669 29.762 0.032 0.000 1.383 443 H HN 0.375 nan 8.280 nan 0.000 0.508 444 L N 0.395 121.548 121.223 -0.117 0.000 2.013 444 L HA -0.272 4.065 4.340 -0.006 0.000 0.212 444 L C 2.340 179.080 176.870 -0.217 0.000 1.073 444 L CA 1.399 56.160 54.840 -0.132 0.000 0.753 444 L CB -0.399 41.606 42.059 -0.089 0.000 0.890 444 L HN 0.470 nan 8.230 nan 0.000 0.432 445 C N -0.012 119.057 119.300 -0.385 0.000 2.432 445 C HA -0.190 4.266 4.460 -0.006 0.000 0.277 445 C C 2.641 177.372 174.990 -0.430 0.000 1.249 445 C CA 0.794 59.501 59.018 -0.520 0.000 1.725 445 C CB -0.761 26.279 27.740 -1.166 0.000 2.028 445 C HN 0.517 nan 8.230 nan 0.000 0.477 446 I N 1.495 121.752 120.570 -0.522 0.000 2.179 446 I HA -0.213 3.954 4.170 -0.006 0.000 0.242 446 I C 2.778 178.741 176.117 -0.257 0.000 1.088 446 I CA 1.701 62.743 61.300 -0.430 0.000 1.357 446 I CB -0.717 36.862 38.000 -0.702 0.000 1.051 446 I HN 0.278 nan 8.210 nan 0.000 0.409 447 A N 0.777 123.392 122.820 -0.340 0.000 1.940 447 A HA -0.121 4.196 4.320 -0.006 0.000 0.219 447 A C 2.233 179.874 177.584 0.094 0.000 1.176 447 A CA 1.998 53.848 52.037 -0.312 0.000 0.631 447 A CB -1.160 17.433 19.000 -0.678 0.000 0.814 447 A HN 0.500 nan 8.150 nan 0.000 0.446 448 G N -1.405 107.405 108.800 0.016 0.000 3.233 448 G HA2 0.410 4.367 3.960 -0.006 0.000 0.234 448 G HA3 0.410 4.367 3.960 -0.006 0.000 0.234 448 G C 0.087 174.858 174.900 -0.216 0.000 1.137 448 G CA 0.475 45.502 45.100 -0.121 0.000 0.763 448 G HN 0.336 nan 8.290 nan 0.000 0.549 449 S N -0.658 114.958 115.700 -0.140 0.000 2.500 449 S HA 0.343 4.809 4.470 -0.006 0.000 0.301 449 S C 0.610 175.164 174.600 -0.076 0.000 1.092 449 S CA -0.607 57.528 58.200 -0.107 0.000 1.030 449 S CB 1.461 64.603 63.200 -0.095 0.000 1.031 449 S HN 0.594 nan 8.310 nan 0.000 0.483 450 H N 0.481 119.520 119.070 -0.051 0.000 2.535 450 H HA 0.593 5.145 4.556 -0.006 0.000 0.273 450 H C 0.262 175.592 175.328 0.003 0.000 0.983 450 H CA 0.672 56.718 56.048 -0.004 0.000 1.238 450 H CB 0.228 29.993 29.762 0.004 0.000 1.412 450 H HN 0.511 nan 8.280 nan 0.000 0.562 451 A N 0.866 123.336 122.820 -0.584 0.000 2.398 451 A HA 0.616 4.933 4.320 -0.006 0.000 0.301 451 A C -1.477 175.920 177.584 -0.312 0.000 1.041 451 A CA -0.684 51.094 52.037 -0.432 0.000 0.711 451 A CB 1.813 20.511 19.000 -0.504 0.000 1.240 451 A HN 0.162 nan 8.150 nan 0.000 0.420 452 V N 4.670 124.371 119.914 -0.355 0.000 2.443 452 V HA 0.462 4.579 4.120 -0.006 0.000 0.293 452 V C -0.733 175.186 176.094 -0.292 0.000 1.021 452 V CA -0.801 61.278 62.300 -0.368 0.000 0.848 452 V CB 1.623 33.076 31.823 -0.617 0.000 0.998 452 V HN 1.000 nan 8.190 nan 0.000 0.424 453 N N 3.378 121.931 118.700 -0.245 0.000 2.240 453 N HA 0.609 5.346 4.740 -0.006 0.000 0.302 453 N C -0.172 175.254 175.510 -0.140 0.000 1.106 453 N CA -0.370 52.583 53.050 -0.162 0.000 0.778 453 N CB 2.927 41.307 38.487 -0.178 0.000 1.431 453 N HN 0.597 nan 8.380 nan 0.000 0.479 454 G N -0.641 108.118 108.800 -0.068 0.000 2.535 454 G HA2 0.408 4.364 3.960 -0.006 0.000 0.303 454 G HA3 0.408 4.364 3.960 -0.006 0.000 0.303 454 G C 0.881 175.843 174.900 0.104 0.000 1.237 454 G CA -0.411 44.711 45.100 0.035 0.000 0.986 454 G HN 0.576 nan 8.290 nan 0.000 0.494 455 V N -3.891 116.184 119.914 0.268 0.000 3.643 455 V HA 0.672 4.788 4.120 -0.006 0.000 0.280 455 V C 0.755 176.917 176.094 0.113 0.000 1.351 455 V CA 0.659 63.024 62.300 0.108 0.000 1.073 455 V CB -0.658 31.172 31.823 0.012 0.000 0.863 455 V HN 1.159 nan 8.190 nan 0.000 0.436 456 A N -0.134 122.769 122.820 0.139 0.000 2.606 456 A HA 0.667 4.984 4.320 -0.006 0.000 0.293 456 A C 0.828 178.462 177.584 0.083 0.000 1.082 456 A CA -0.244 51.855 52.037 0.103 0.000 0.685 456 A CB 1.422 20.475 19.000 0.088 0.000 1.284 456 A HN -0.018 nan 8.150 nan 0.000 0.408 457 R N 0.404 120.931 120.500 0.046 0.000 2.096 457 R HA -0.164 4.173 4.340 -0.006 0.000 0.240 457 R C 1.748 178.049 176.300 0.002 0.000 1.139 457 R CA 2.296 58.403 56.100 0.011 0.000 0.952 457 R CB -0.292 30.008 30.300 0.001 0.000 0.854 457 R HN 0.828 nan 8.270 nan 0.000 0.436 458 I N 0.140 120.719 120.570 0.016 0.000 2.226 458 I HA -0.312 3.855 4.170 -0.006 0.000 0.245 458 I C 2.372 178.500 176.117 0.019 0.000 1.100 458 I CA 2.014 63.316 61.300 0.004 0.000 1.374 458 I CB -0.264 37.736 38.000 0.001 0.000 1.057 458 I HN 0.330 nan 8.210 nan 0.000 0.413 459 H N 0.310 119.355 119.070 -0.043 0.000 2.353 459 H HA -0.127 4.425 4.556 -0.006 0.000 0.300 459 H C 2.261 177.561 175.328 -0.047 0.000 1.090 459 H CA 2.192 58.211 56.048 -0.048 0.000 1.327 459 H CB -0.238 29.501 29.762 -0.038 0.000 1.383 459 H HN 0.280 nan 8.280 nan 0.000 0.508 460 S N 0.214 115.826 115.700 -0.148 0.000 2.382 460 S HA -0.118 4.349 4.470 -0.006 0.000 0.228 460 S C 1.862 176.361 174.600 -0.169 0.000 1.027 460 S CA 1.198 59.293 58.200 -0.175 0.000 0.991 460 S CB -0.059 63.099 63.200 -0.069 0.000 0.823 460 S HN 0.496 nan 8.310 nan 0.000 0.469 461 E N 1.105 121.219 120.200 -0.142 0.000 2.107 461 E HA 0.029 4.376 4.350 -0.006 0.000 0.191 461 E C 1.988 178.475 176.600 -0.188 0.000 0.982 461 E CA 0.518 56.820 56.400 -0.164 0.000 0.809 461 E CB -0.313 29.319 29.700 -0.113 0.000 0.756 461 E HN 0.521 nan 8.360 nan 0.000 0.459 462 I N 1.002 121.471 120.570 -0.168 0.000 2.286 462 I HA -0.277 3.890 4.170 -0.006 0.000 0.248 462 I C 2.362 178.346 176.117 -0.222 0.000 1.115 462 I CA 0.879 62.079 61.300 -0.167 0.000 1.392 462 I CB -0.303 37.627 38.000 -0.116 0.000 1.065 462 I HN 0.059 nan 8.210 nan 0.000 0.418 463 L N 0.469 121.529 121.223 -0.271 0.000 2.046 463 L HA -0.208 4.129 4.340 -0.006 0.000 0.208 463 L C 2.485 179.253 176.870 -0.169 0.000 1.077 463 L CA 1.559 56.271 54.840 -0.214 0.000 0.747 463 L CB -0.650 41.391 42.059 -0.030 0.000 0.896 463 L HN 0.184 nan 8.230 nan 0.000 0.432 464 K N 0.099 120.299 120.400 -0.333 0.000 2.148 464 K HA -0.168 4.148 4.320 -0.006 0.000 0.204 464 K C 2.145 178.502 176.600 -0.404 0.000 1.050 464 K CA 1.105 56.999 56.287 -0.654 0.000 0.942 464 K CB -0.036 31.795 32.500 -1.115 0.000 0.724 464 K HN 0.168 nan 8.250 nan 0.000 0.446 465 K N 0.314 120.552 120.400 -0.269 0.000 2.284 465 K HA -0.040 4.277 4.320 -0.006 0.000 0.198 465 K C 1.713 178.253 176.600 -0.101 0.000 1.048 465 K CA 1.344 57.536 56.287 -0.159 0.000 0.987 465 K CB 0.440 32.857 32.500 -0.138 0.000 0.800 465 K HN 0.273 nan 8.250 nan 0.000 0.486 466 T N -2.105 112.381 114.554 -0.114 0.000 3.409 466 T HA 0.114 4.461 4.350 -0.006 0.000 0.188 466 T C 1.703 176.354 174.700 -0.081 0.000 0.929 466 T CA -0.203 61.844 62.100 -0.087 0.000 1.184 466 T CB -0.712 68.100 68.868 -0.094 0.000 1.570 466 T HN 0.044 nan 8.240 nan 0.000 0.367 467 I N 0.041 120.500 120.570 -0.184 0.000 2.335 467 I HA -0.010 4.157 4.170 -0.006 0.000 0.251 467 I C 0.646 176.696 176.117 -0.110 0.000 1.129 467 I CA 1.479 62.618 61.300 -0.269 0.000 1.402 467 I CB 0.028 37.695 38.000 -0.554 0.000 1.069 467 I HN 0.296 nan 8.210 nan 0.000 0.424 468 F N -0.185 119.842 119.950 0.129 0.000 2.764 468 F HA 0.243 4.767 4.527 -0.005 0.000 0.310 468 F C 1.618 177.529 175.800 0.184 0.000 1.124 468 F CA -0.644 57.521 58.000 0.275 0.000 1.252 468 F CB -0.695 38.489 39.000 0.306 0.000 1.010 468 F HN -0.153 nan 8.300 nan 0.000 0.518 469 K N 0.798 121.317 120.400 0.198 0.000 2.059 469 K HA -0.214 4.102 4.320 -0.006 0.000 0.212 469 K C 1.294 177.946 176.600 0.087 0.000 1.050 469 K CA 2.231 58.571 56.287 0.089 0.000 0.927 469 K CB 0.041 32.554 32.500 0.022 0.000 0.714 469 K HN 0.099 nan 8.250 nan 0.000 0.447 470 D N -0.104 120.321 120.400 0.041 0.000 2.123 470 D HA -0.167 4.470 4.640 -0.006 0.000 0.196 470 D C 1.813 178.045 176.300 -0.113 0.000 0.992 470 D CA 1.253 55.159 54.000 -0.157 0.000 0.833 470 D CB -0.376 40.233 40.800 -0.318 0.000 0.954 470 D HN 0.228 nan 8.370 nan 0.000 0.455 471 F N -0.045 119.996 119.950 0.150 0.000 2.186 471 F HA -0.161 4.363 4.527 -0.006 0.000 0.299 471 F C 2.348 178.300 175.800 0.253 0.000 1.090 471 F CA 0.586 58.756 58.000 0.283 0.000 1.307 471 F CB -0.716 38.536 39.000 0.420 0.000 1.019 471 F HN -0.030 nan 8.300 nan 0.000 0.489 472 Y N 1.360 121.617 120.300 -0.073 0.000 2.207 472 Y HA -0.222 4.324 4.550 -0.005 0.000 0.287 472 Y C 2.098 177.961 175.900 -0.061 0.000 1.156 472 Y CA 1.742 59.590 58.100 -0.420 0.000 1.182 472 Y CB -0.602 37.482 38.460 -0.628 0.000 0.979 472 Y HN 0.164 nan 8.280 nan 0.000 0.521 473 E N -0.291 119.859 120.200 -0.083 0.000 2.152 473 E HA -0.155 4.191 4.350 -0.006 0.000 0.192 473 E C 2.261 178.933 176.600 0.120 0.000 0.983 473 E CA 0.814 57.188 56.400 -0.044 0.000 0.818 473 E CB -0.159 29.557 29.700 0.026 0.000 0.758 473 E HN 0.447 nan 8.360 nan 0.000 0.467 474 L N 0.788 122.116 121.223 0.175 0.000 2.044 474 L HA -0.078 4.258 4.340 -0.006 0.000 0.205 474 L C 0.131 177.065 176.870 0.107 0.000 1.075 474 L CA 1.422 56.379 54.840 0.196 0.000 0.747 474 L CB 0.193 42.359 42.059 0.179 0.000 0.903 474 L HN 0.066 nan 8.230 nan 0.000 0.435 475 E N -0.399 119.854 120.200 0.089 0.000 3.117 475 E HA 0.157 4.504 4.350 -0.006 0.000 0.262 475 E C -2.014 174.457 176.600 -0.215 0.000 1.202 475 E CA -1.362 54.943 56.400 -0.159 0.000 0.853 475 E CB 1.029 30.655 29.700 -0.123 0.000 1.426 475 E HN 0.155 nan 8.360 nan 0.000 0.387 476 P HA -0.226 nan 4.420 nan 0.000 0.218 476 P C 1.077 178.450 177.300 0.122 0.000 1.149 476 P CA 1.430 64.396 63.100 -0.224 0.000 0.817 476 P CB -0.016 31.408 31.700 -0.461 0.000 0.785 477 H N -0.204 118.973 119.070 0.178 0.000 2.489 477 H HA -0.003 4.550 4.556 -0.006 0.000 0.295 477 H C 1.706 177.137 175.328 0.173 0.000 1.082 477 H CA 1.134 57.279 56.048 0.162 0.000 1.295 477 H CB -1.092 28.734 29.762 0.107 0.000 1.380 477 H HN 0.104 nan 8.280 nan 0.000 0.548 478 K N -0.180 120.199 120.400 -0.034 0.000 2.365 478 K HA 0.023 4.340 4.320 -0.006 0.000 0.199 478 K C -0.550 175.942 176.600 -0.180 0.000 1.045 478 K CA 0.244 56.482 56.287 -0.082 0.000 0.962 478 K CB 0.123 32.450 32.500 -0.288 0.000 0.759 478 K HN 0.209 nan 8.250 nan 0.000 0.469 479 F N 1.575 121.572 119.950 0.078 0.000 2.405 479 F HA 0.223 4.747 4.527 -0.006 0.000 0.355 479 F C 0.374 176.192 175.800 0.030 0.000 1.121 479 F CA -0.360 57.686 58.000 0.077 0.000 1.112 479 F CB 1.119 40.226 39.000 0.179 0.000 1.126 479 F HN -0.149 nan 8.300 nan 0.000 0.481 480 Q N 1.863 121.706 119.800 0.072 0.000 2.496 480 Q HA 0.365 4.701 4.340 -0.006 0.000 0.286 480 Q C -1.109 174.866 176.000 -0.042 0.000 1.103 480 Q CA -1.237 54.562 55.803 -0.007 0.000 0.813 480 Q CB 3.193 31.875 28.738 -0.094 0.000 1.444 480 Q HN 0.593 nan 8.270 nan 0.000 0.443 481 N N 0.806 119.461 118.700 -0.076 0.000 2.321 481 N HA 0.235 4.971 4.740 -0.006 0.000 0.299 481 N C -1.351 174.058 175.510 -0.169 0.000 1.048 481 N CA -0.359 52.636 53.050 -0.091 0.000 0.836 481 N CB 0.915 39.368 38.487 -0.056 0.000 1.269 481 N HN 0.295 nan 8.380 nan 0.000 0.486 482 K N 2.967 123.258 120.400 -0.181 0.000 2.752 482 K HA 0.163 4.480 4.320 -0.006 0.000 0.199 482 K C -0.834 175.741 176.600 -0.042 0.000 1.069 482 K CA -0.475 55.655 56.287 -0.262 0.000 1.033 482 K CB 1.037 33.113 32.500 -0.706 0.000 1.229 482 K HN 0.538 nan 8.250 nan 0.000 0.572 483 T N 2.091 116.645 114.554 -0.000 0.000 2.866 483 T HA -0.018 4.329 4.350 -0.006 0.000 0.293 483 T C 0.795 175.597 174.700 0.170 0.000 1.005 483 T CA 0.608 62.761 62.100 0.088 0.000 1.162 483 T CB 0.092 69.008 68.868 0.081 0.000 0.968 483 T HN 0.369 nan 8.240 nan 0.000 0.530 484 N N 0.751 119.579 118.700 0.214 0.000 2.237 484 N HA 0.344 5.081 4.740 -0.006 0.000 0.222 484 N C 0.512 176.196 175.510 0.290 0.000 1.311 484 N CA -0.020 53.192 53.050 0.270 0.000 0.880 484 N CB 0.338 38.938 38.487 0.188 0.000 1.106 484 N HN 0.759 nan 8.380 nan 0.000 0.435 485 G N -0.645 108.338 108.800 0.305 0.000 2.682 485 G HA2 0.613 4.570 3.960 -0.006 0.000 0.290 485 G HA3 0.613 4.570 3.960 -0.006 0.000 0.290 485 G C -1.411 173.626 174.900 0.228 0.000 1.425 485 G CA -0.751 44.518 45.100 0.281 0.000 0.807 485 G HN 0.609 nan 8.290 nan 0.000 0.482 486 I N -2.316 118.377 120.570 0.206 0.000 2.730 486 I HA 0.740 4.907 4.170 -0.006 0.000 0.298 486 I C -0.285 175.997 176.117 0.276 0.000 1.089 486 I CA -0.914 60.503 61.300 0.194 0.000 1.041 486 I CB 2.528 40.536 38.000 0.013 0.000 1.235 486 I HN 0.459 nan 8.210 nan 0.000 0.423 487 T N 5.030 119.810 114.554 0.377 0.000 2.761 487 T HA 0.365 4.712 4.350 -0.006 0.000 0.296 487 T C -1.468 173.362 174.700 0.217 0.000 0.934 487 T CA -1.598 60.647 62.100 0.241 0.000 1.091 487 T CB 0.680 69.634 68.868 0.144 0.000 0.896 487 T HN 0.638 nan 8.240 nan 0.000 0.515 488 P HA 0.088 nan 4.420 nan 0.000 0.242 488 P C 0.860 178.134 177.300 -0.044 0.000 1.197 488 P CA 0.134 63.281 63.100 0.078 0.000 0.765 488 P CB 0.404 32.139 31.700 0.059 0.000 0.936 489 R N 0.502 120.937 120.500 -0.108 0.000 2.046 489 R HA 0.089 4.425 4.340 -0.006 0.000 0.223 489 R C 2.676 178.867 176.300 -0.182 0.000 1.179 489 R CA 1.312 57.304 56.100 -0.181 0.000 0.952 489 R CB -1.192 29.005 30.300 -0.171 0.000 0.843 489 R HN -0.002 nan 8.270 nan 0.000 0.439 490 R N -0.633 119.699 120.500 -0.280 0.000 2.081 490 R HA -0.125 4.212 4.340 -0.006 0.000 0.235 490 R C 0.814 176.762 176.300 -0.586 0.000 1.131 490 R CA 1.684 57.459 56.100 -0.542 0.000 0.960 490 R CB -0.135 29.661 30.300 -0.840 0.000 0.856 490 R HN 0.301 nan 8.270 nan 0.000 0.436 491 W N -0.317 120.949 121.300 -0.057 0.000 3.325 491 W HA 0.209 4.866 4.660 -0.006 0.000 0.370 491 W C 0.813 177.310 176.519 -0.036 0.000 1.169 491 W CA -0.748 56.563 57.345 -0.058 0.000 1.874 491 W CB 0.482 29.910 29.460 -0.053 0.000 1.076 491 W HN 0.208 nan 8.180 nan 0.000 0.684 492 L N -2.374 118.909 121.223 0.101 0.000 2.186 492 L HA 0.189 4.526 4.340 -0.006 0.000 0.182 492 L C 1.632 178.525 176.870 0.039 0.000 1.190 492 L CA 0.740 55.634 54.840 0.091 0.000 1.051 492 L CB -0.682 41.457 42.059 0.134 0.000 2.162 492 L HN -0.244 nan 8.230 nan 0.000 0.494 493 V N 0.815 120.725 119.914 -0.007 0.000 2.358 493 V HA -0.206 3.910 4.120 -0.006 0.000 0.246 493 V C 2.343 178.417 176.094 -0.034 0.000 1.047 493 V CA 2.263 64.549 62.300 -0.022 0.000 1.035 493 V CB -0.381 31.389 31.823 -0.088 0.000 0.658 493 V HN 0.455 nan 8.190 nan 0.000 0.452 494 L N 0.407 121.583 121.223 -0.080 0.000 2.007 494 L HA -0.180 4.157 4.340 -0.006 0.000 0.205 494 L C 2.571 179.390 176.870 -0.085 0.000 1.073 494 L CA 2.402 57.179 54.840 -0.105 0.000 0.744 494 L CB -0.272 41.672 42.059 -0.192 0.000 0.898 494 L HN 0.623 nan 8.230 nan 0.000 0.435 495 C N -1.800 117.447 119.300 -0.090 0.000 2.495 495 C HA 0.148 4.605 4.460 -0.006 0.000 0.275 495 C C 1.295 176.281 174.990 -0.007 0.000 1.392 495 C CA -0.224 58.761 59.018 -0.055 0.000 1.766 495 C CB -1.023 26.692 27.740 -0.041 0.000 1.933 495 C HN 0.576 nan 8.230 nan 0.000 0.519 496 N N 1.280 119.985 118.700 0.009 0.000 2.723 496 N HA 0.283 5.019 4.740 -0.006 0.000 0.290 496 N C -1.776 173.753 175.510 0.030 0.000 1.882 496 N CA -1.633 51.432 53.050 0.024 0.000 0.851 496 N CB 0.667 39.177 38.487 0.037 0.000 1.234 496 N HN 0.270 nan 8.380 nan 0.000 0.491 497 P HA -0.044 nan 4.420 nan 0.000 0.219 497 P C 1.303 178.625 177.300 0.035 0.000 1.146 497 P CA 0.843 63.960 63.100 0.028 0.000 0.808 497 P CB 0.266 31.975 31.700 0.016 0.000 0.779 498 G N 0.256 109.072 108.800 0.026 0.000 2.403 498 G HA2 -0.194 3.763 3.960 -0.006 0.000 0.216 498 G HA3 -0.194 3.763 3.960 -0.006 0.000 0.216 498 G C 1.470 176.384 174.900 0.023 0.000 1.154 498 G CA 0.351 45.463 45.100 0.020 0.000 0.784 498 G HN 0.224 nan 8.290 nan 0.000 0.538 499 L N 1.335 122.575 121.223 0.028 0.000 2.044 499 L HA 0.301 4.637 4.340 -0.006 0.000 0.205 499 L C 3.069 179.979 176.870 0.067 0.000 1.075 499 L CA 1.941 56.800 54.840 0.031 0.000 0.747 499 L CB -0.852 41.224 42.059 0.029 0.000 0.903 499 L HN 0.217 nan 8.230 nan 0.000 0.435 500 A N -0.548 122.332 122.820 0.100 0.000 1.927 500 A HA -0.315 4.001 4.320 -0.006 0.000 0.220 500 A C 2.258 179.947 177.584 0.175 0.000 1.185 500 A CA 2.117 54.266 52.037 0.186 0.000 0.639 500 A CB -0.777 18.321 19.000 0.163 0.000 0.820 500 A HN 0.586 nan 8.150 nan 0.000 0.451 501 E N 0.542 120.805 120.200 0.104 0.000 2.047 501 E HA -0.150 4.197 4.350 -0.006 0.000 0.191 501 E C 1.838 178.480 176.600 0.070 0.000 0.987 501 E CA 1.543 57.993 56.400 0.083 0.000 0.799 501 E CB -0.543 29.188 29.700 0.051 0.000 0.752 501 E HN 0.753 nan 8.360 nan 0.000 0.449 502 I N -1.596 119.012 120.570 0.064 0.000 2.361 502 I HA -0.139 4.028 4.170 -0.006 0.000 0.251 502 I C 2.125 178.307 176.117 0.109 0.000 1.133 502 I CA 1.153 62.505 61.300 0.086 0.000 1.413 502 I CB -0.329 37.718 38.000 0.078 0.000 1.073 502 I HN 0.036 nan 8.210 nan 0.000 0.424 503 I N 1.909 122.518 120.570 0.066 0.000 2.202 503 I HA -0.188 3.979 4.170 -0.006 0.000 0.242 503 I C 3.038 179.089 176.117 -0.110 0.000 1.091 503 I CA 1.289 62.529 61.300 -0.100 0.000 1.368 503 I CB -0.549 37.267 38.000 -0.307 0.000 1.058 503 I HN 0.307 nan 8.210 nan 0.000 0.410 504 A N 0.635 123.495 122.820 0.068 0.000 1.908 504 A HA -0.267 4.050 4.320 -0.006 0.000 0.218 504 A C 2.164 179.779 177.584 0.053 0.000 1.181 504 A CA 1.910 54.044 52.037 0.162 0.000 0.627 504 A CB -0.721 18.396 19.000 0.196 0.000 0.818 504 A HN 0.463 nan 8.150 nan 0.000 0.445 505 E N -0.846 119.362 120.200 0.013 0.000 2.171 505 E HA -0.228 4.119 4.350 -0.006 0.000 0.197 505 E C 2.213 178.770 176.600 -0.071 0.000 0.997 505 E CA 1.316 57.705 56.400 -0.018 0.000 0.810 505 E CB -0.075 29.615 29.700 -0.017 0.000 0.738 505 E HN 0.497 nan 8.360 nan 0.000 0.467 506 R N -0.069 120.335 120.500 -0.160 0.000 2.123 506 R HA 0.112 4.449 4.340 -0.006 0.000 0.209 506 R C 2.270 178.516 176.300 -0.091 0.000 1.078 506 R CA 0.835 56.776 56.100 -0.265 0.000 1.028 506 R CB -0.050 29.792 30.300 -0.764 0.000 0.939 506 R HN 0.321 nan 8.270 nan 0.000 0.463 507 I N -3.167 117.365 120.570 -0.062 0.000 4.147 507 I HA 0.434 4.600 4.170 -0.006 0.000 0.329 507 I C 0.515 176.685 176.117 0.088 0.000 1.424 507 I CA 0.058 61.369 61.300 0.019 0.000 1.127 507 I CB 0.878 38.873 38.000 -0.009 0.000 1.128 507 I HN 0.177 nan 8.210 nan 0.000 0.417 508 G N 2.455 111.311 108.800 0.095 0.000 2.593 508 G HA2 -0.252 3.705 3.960 -0.006 0.000 0.237 508 G HA3 -0.252 3.705 3.960 -0.006 0.000 0.237 508 G C 0.039 175.083 174.900 0.240 0.000 1.312 508 G CA 0.391 45.568 45.100 0.128 0.000 0.896 508 G HN 0.504 nan 8.290 nan 0.000 0.574 509 E N -0.309 119.982 120.200 0.151 0.000 2.526 509 E HA 0.148 4.495 4.350 -0.006 0.000 0.208 509 E C 1.766 178.311 176.600 -0.091 0.000 0.997 509 E CA 0.286 56.704 56.400 0.031 0.000 0.961 509 E CB 0.653 30.361 29.700 0.015 0.000 1.030 509 E HN 0.576 nan 8.360 nan 0.000 0.483 510 E N 0.628 120.857 120.200 0.049 0.000 2.204 510 E HA -0.203 4.144 4.350 -0.006 0.000 0.195 510 E C 1.648 178.249 176.600 0.002 0.000 0.990 510 E CA 1.015 57.434 56.400 0.030 0.000 0.821 510 E CB -0.020 29.721 29.700 0.068 0.000 0.750 510 E HN 0.457 nan 8.360 nan 0.000 0.477 511 Y N -0.732 119.575 120.300 0.012 0.000 2.315 511 Y HA -0.139 4.408 4.550 -0.005 0.000 0.288 511 Y C 1.780 177.662 175.900 -0.030 0.000 1.154 511 Y CA 0.829 58.928 58.100 -0.001 0.000 1.229 511 Y CB -0.603 37.860 38.460 0.005 0.000 0.980 511 Y HN -0.030 nan 8.280 nan 0.000 0.540 512 I N 0.943 121.050 120.570 -0.773 0.000 2.423 512 I HA -0.239 3.927 4.170 -0.006 0.000 0.254 512 I C 1.538 177.410 176.117 -0.408 0.000 1.151 512 I CA 1.849 62.721 61.300 -0.712 0.000 1.421 512 I CB -0.391 37.077 38.000 -0.887 0.000 1.079 512 I HN 0.510 nan 8.210 nan 0.000 0.431 513 S N -1.983 113.581 115.700 -0.228 0.000 2.843 513 S HA 0.213 4.679 4.470 -0.006 0.000 0.249 513 S C -0.029 174.561 174.600 -0.017 0.000 1.047 513 S CA -0.570 57.575 58.200 -0.092 0.000 1.042 513 S CB 0.317 63.516 63.200 -0.002 0.000 0.936 513 S HN 0.286 nan 8.310 nan 0.000 0.531 514 D N 0.882 121.282 120.400 -0.000 0.000 3.118 514 D HA 0.177 4.813 4.640 -0.006 0.000 0.259 514 D C 0.497 176.844 176.300 0.077 0.000 1.292 514 D CA -0.352 53.671 54.000 0.037 0.000 0.784 514 D CB -0.016 40.809 40.800 0.042 0.000 1.413 514 D HN 0.218 nan 8.370 nan 0.000 0.583 515 L N 0.559 121.828 121.223 0.077 0.000 2.362 515 L HA -0.058 4.279 4.340 -0.006 0.000 0.219 515 L C 0.879 177.807 176.870 0.096 0.000 1.134 515 L CA 1.007 55.921 54.840 0.124 0.000 0.807 515 L CB 0.150 42.275 42.059 0.110 0.000 0.927 515 L HN 0.277 nan 8.230 nan 0.000 0.447 516 D N -0.273 120.161 120.400 0.057 0.000 2.263 516 D HA -0.205 4.432 4.640 -0.006 0.000 0.208 516 D C 1.832 178.159 176.300 0.045 0.000 0.971 516 D CA 0.839 54.859 54.000 0.034 0.000 0.867 516 D CB 0.029 40.835 40.800 0.011 0.000 0.929 516 D HN 0.488 nan 8.370 nan 0.000 0.492 517 Q N -0.091 119.752 119.800 0.071 0.000 2.561 517 Q HA -0.078 4.259 4.340 -0.006 0.000 0.217 517 Q C 1.571 177.597 176.000 0.043 0.000 0.980 517 Q CA 0.047 55.893 55.803 0.071 0.000 0.927 517 Q CB 0.119 28.925 28.738 0.114 0.000 0.980 517 Q HN 0.182 nan 8.270 nan 0.000 0.525 518 L N 0.324 121.569 121.223 0.036 0.000 2.275 518 L HA -0.136 4.201 4.340 -0.006 0.000 0.215 518 L C 2.033 178.906 176.870 0.005 0.000 1.119 518 L CA 1.445 56.277 54.840 -0.012 0.000 0.790 518 L CB -0.337 41.731 42.059 0.015 0.000 0.919 518 L HN 0.124 nan 8.230 nan 0.000 0.443 519 R N -0.411 120.101 120.500 0.020 0.000 2.193 519 R HA -0.160 4.176 4.340 -0.006 0.000 0.229 519 R C 1.959 178.263 176.300 0.008 0.000 1.110 519 R CA 0.754 56.865 56.100 0.018 0.000 0.988 519 R CB -0.234 30.074 30.300 0.014 0.000 0.871 519 R HN 0.421 nan 8.270 nan 0.000 0.458 520 K N 0.663 121.067 120.400 0.006 0.000 2.211 520 K HA -0.108 4.208 4.320 -0.006 0.000 0.204 520 K C 1.937 178.557 176.600 0.034 0.000 1.047 520 K CA 0.964 57.256 56.287 0.008 0.000 0.935 520 K CB -0.137 32.378 32.500 0.025 0.000 0.728 520 K HN 0.187 nan 8.250 nan 0.000 0.452 521 L N 0.558 121.801 121.223 0.033 0.000 2.362 521 L HA -0.159 4.177 4.340 -0.006 0.000 0.219 521 L C 1.912 178.830 176.870 0.080 0.000 1.134 521 L CA 0.147 55.022 54.840 0.058 0.000 0.807 521 L CB -0.300 41.756 42.059 -0.005 0.000 0.927 521 L HN 0.129 nan 8.230 nan 0.000 0.447 522 L N 0.102 121.345 121.223 0.033 0.000 2.127 522 L HA -0.198 4.138 4.340 -0.006 0.000 0.211 522 L C 2.793 179.639 176.870 -0.040 0.000 1.089 522 L CA 2.034 56.883 54.840 0.016 0.000 0.757 522 L CB -1.079 40.981 42.059 0.002 0.000 0.899 522 L HN 0.395 nan 8.230 nan 0.000 0.434 523 S N -2.472 113.147 115.700 -0.134 0.000 2.595 523 S HA -0.146 4.321 4.470 -0.006 0.000 0.235 523 S C 1.393 175.722 174.600 -0.453 0.000 0.974 523 S CA 0.571 58.589 58.200 -0.304 0.000 0.942 523 S CB -0.609 62.341 63.200 -0.418 0.000 0.766 523 S HN 0.521 nan 8.310 nan 0.000 0.536 524 Y N -0.449 119.792 120.300 -0.098 0.000 2.531 524 Y HA 0.431 4.978 4.550 -0.006 0.000 0.249 524 Y C 1.921 177.864 175.900 0.073 0.000 1.168 524 Y CA -0.391 57.651 58.100 -0.096 0.000 1.226 524 Y CB 0.441 38.655 38.460 -0.411 0.000 1.177 524 Y HN 0.253 nan 8.280 nan 0.000 0.527 525 V N 0.306 120.316 119.914 0.160 0.000 2.759 525 V HA -0.190 3.926 4.120 -0.006 0.000 0.256 525 V C 0.883 177.049 176.094 0.120 0.000 1.080 525 V CA 2.087 64.480 62.300 0.154 0.000 1.101 525 V CB -0.010 31.864 31.823 0.085 0.000 0.698 525 V HN 0.350 nan 8.190 nan 0.000 0.477 526 D N -0.607 119.847 120.400 0.091 0.000 2.395 526 D HA 0.123 4.759 4.640 -0.006 0.000 0.213 526 D C 0.218 176.572 176.300 0.091 0.000 1.110 526 D CA 0.002 54.044 54.000 0.069 0.000 0.835 526 D CB 0.290 41.108 40.800 0.029 0.000 0.965 526 D HN 0.524 nan 8.370 nan 0.000 0.505 527 D N 1.455 121.948 120.400 0.155 0.000 2.338 527 D HA -0.009 4.628 4.640 -0.006 0.000 0.255 527 D C 1.457 177.861 176.300 0.173 0.000 1.237 527 D CA 0.053 54.169 54.000 0.192 0.000 0.883 527 D CB 0.937 41.941 40.800 0.341 0.000 1.087 527 D HN -0.217 nan 8.370 nan 0.000 0.485 528 E N 3.057 123.324 120.200 0.112 0.000 2.085 528 E HA -0.231 4.115 4.350 -0.006 0.000 0.194 528 E C 1.914 178.563 176.600 0.082 0.000 0.994 528 E CA 1.141 57.588 56.400 0.080 0.000 0.801 528 E CB -0.412 29.320 29.700 0.052 0.000 0.743 528 E HN 0.632 nan 8.360 nan 0.000 0.453 529 A N 0.932 123.813 122.820 0.101 0.000 1.877 529 A HA -0.182 4.135 4.320 -0.006 0.000 0.216 529 A C 2.107 179.763 177.584 0.120 0.000 1.186 529 A CA 1.357 53.449 52.037 0.092 0.000 0.620 529 A CB -0.843 18.212 19.000 0.091 0.000 0.822 529 A HN 0.251 nan 8.150 nan 0.000 0.443 530 F N 0.521 120.470 119.950 -0.001 0.000 2.171 530 F HA -0.112 4.411 4.527 -0.006 0.000 0.300 530 F C 1.963 177.759 175.800 -0.007 0.000 1.090 530 F CA 1.267 59.250 58.000 -0.029 0.000 1.293 530 F CB -0.271 38.707 39.000 -0.037 0.000 1.013 530 F HN 0.178 nan 8.300 nan 0.000 0.486 531 I N -0.084 120.501 120.570 0.025 0.000 2.179 531 I HA -0.334 3.832 4.170 -0.006 0.000 0.242 531 I C 2.707 178.766 176.117 -0.096 0.000 1.088 531 I CA 1.653 62.918 61.300 -0.058 0.000 1.357 531 I CB -0.559 37.455 38.000 0.024 0.000 1.051 531 I HN 0.055 nan 8.210 nan 0.000 0.409 532 R N 1.026 121.496 120.500 -0.049 0.000 2.094 532 R HA -0.233 4.103 4.340 -0.006 0.000 0.239 532 R C 1.911 178.156 176.300 -0.090 0.000 1.137 532 R CA 2.374 58.443 56.100 -0.053 0.000 0.943 532 R CB -0.268 30.020 30.300 -0.020 0.000 0.850 532 R HN 0.297 nan 8.270 nan 0.000 0.433 533 D N -0.161 120.171 120.400 -0.114 0.000 2.097 533 D HA -0.122 4.514 4.640 -0.006 0.000 0.195 533 D C 2.024 178.193 176.300 -0.218 0.000 0.989 533 D CA 1.294 55.212 54.000 -0.136 0.000 0.827 533 D CB -0.307 40.439 40.800 -0.090 0.000 0.966 533 D HN 0.104 nan 8.370 nan 0.000 0.456 534 V N 1.586 121.263 119.914 -0.395 0.000 2.255 534 V HA -0.288 3.829 4.120 -0.006 0.000 0.247 534 V C 2.557 178.544 176.094 -0.178 0.000 1.051 534 V CA 2.026 64.103 62.300 -0.371 0.000 1.018 534 V CB -0.915 30.591 31.823 -0.528 0.000 0.641 534 V HN 0.203 nan 8.190 nan 0.000 0.445 535 A N -0.265 122.472 122.820 -0.139 0.000 1.908 535 A HA -0.300 4.017 4.320 -0.006 0.000 0.218 535 A C 2.372 179.907 177.584 -0.080 0.000 1.181 535 A CA 2.340 54.327 52.037 -0.084 0.000 0.627 535 A CB -0.554 18.399 19.000 -0.077 0.000 0.818 535 A HN 0.557 nan 8.150 nan 0.000 0.445 536 K N 0.248 120.598 120.400 -0.083 0.000 2.057 536 K HA -0.130 4.187 4.320 -0.006 0.000 0.207 536 K C 1.918 178.485 176.600 -0.055 0.000 1.049 536 K CA 2.006 58.255 56.287 -0.063 0.000 0.931 536 K CB -0.440 32.027 32.500 -0.055 0.000 0.714 536 K HN 0.450 nan 8.250 nan 0.000 0.440 537 V N -0.466 119.410 119.914 -0.063 0.000 2.515 537 V HA -0.143 3.974 4.120 -0.006 0.000 0.250 537 V C 2.323 178.397 176.094 -0.035 0.000 1.058 537 V CA 1.843 64.117 62.300 -0.044 0.000 1.064 537 V CB -0.670 31.126 31.823 -0.045 0.000 0.675 537 V HN 0.177 nan 8.190 nan 0.000 0.461 538 K N 1.201 121.575 120.400 -0.044 0.000 2.001 538 K HA -0.193 4.123 4.320 -0.006 0.000 0.208 538 K C 2.341 178.901 176.600 -0.067 0.000 1.048 538 K CA 2.215 58.480 56.287 -0.037 0.000 0.932 538 K CB -0.766 31.723 32.500 -0.017 0.000 0.715 538 K HN 0.575 nan 8.250 nan 0.000 0.437 539 Q N 1.047 120.800 119.800 -0.079 0.000 2.096 539 Q HA -0.176 4.160 4.340 -0.006 0.000 0.204 539 Q C 1.769 177.738 176.000 -0.053 0.000 0.982 539 Q CA 2.223 57.971 55.803 -0.091 0.000 0.850 539 Q CB -0.195 28.496 28.738 -0.077 0.000 0.901 539 Q HN 0.518 nan 8.270 nan 0.000 0.422 540 E N -0.468 119.716 120.200 -0.027 0.000 2.058 540 E HA -0.193 4.154 4.350 -0.006 0.000 0.194 540 E C 1.862 178.477 176.600 0.025 0.000 0.997 540 E CA 1.172 57.572 56.400 0.000 0.000 0.801 540 E CB -0.125 29.575 29.700 -0.000 0.000 0.746 540 E HN 0.462 nan 8.360 nan 0.000 0.450 541 N N 0.912 119.624 118.700 0.021 0.000 2.104 541 N HA -0.157 4.579 4.740 -0.006 0.000 0.190 541 N C 1.549 177.125 175.510 0.109 0.000 1.024 541 N CA 1.090 54.175 53.050 0.058 0.000 0.853 541 N CB -0.158 38.351 38.487 0.038 0.000 1.008 541 N HN 0.135 nan 8.380 nan 0.000 0.424 542 K N 0.684 121.104 120.400 0.033 0.000 2.097 542 K HA 0.013 4.329 4.320 -0.006 0.000 0.206 542 K C 2.126 178.831 176.600 0.175 0.000 1.049 542 K CA 0.628 56.933 56.287 0.030 0.000 0.933 542 K CB -0.137 32.104 32.500 -0.431 0.000 0.717 542 K HN 0.127 nan 8.250 nan 0.000 0.442 543 L N 1.067 122.344 121.223 0.090 0.000 2.046 543 L HA -0.205 4.132 4.340 -0.006 0.000 0.208 543 L C 2.192 179.151 176.870 0.148 0.000 1.077 543 L CA 1.067 55.972 54.840 0.109 0.000 0.747 543 L CB -0.353 41.741 42.059 0.059 0.000 0.896 543 L HN 0.103 nan 8.230 nan 0.000 0.432 544 K N -0.345 120.148 120.400 0.155 0.000 2.057 544 K HA -0.160 4.156 4.320 -0.006 0.000 0.206 544 K C 2.028 178.769 176.600 0.235 0.000 1.050 544 K CA 1.381 57.766 56.287 0.164 0.000 0.935 544 K CB -0.801 31.780 32.500 0.134 0.000 0.715 544 K HN 0.162 nan 8.250 nan 0.000 0.439 545 F N 2.105 122.150 119.950 0.158 0.000 2.186 545 F HA -0.086 4.437 4.527 -0.006 0.000 0.299 545 F C 2.192 178.131 175.800 0.232 0.000 1.090 545 F CA 1.064 59.182 58.000 0.197 0.000 1.307 545 F CB -0.222 38.894 39.000 0.194 0.000 1.019 545 F HN 0.029 nan 8.300 nan 0.000 0.489 546 A N 0.194 123.171 122.820 0.262 0.000 1.933 546 A HA -0.051 4.265 4.320 -0.006 0.000 0.218 546 A C 2.396 180.006 177.584 0.043 0.000 1.175 546 A CA 1.641 53.752 52.037 0.123 0.000 0.628 546 A CB -1.439 17.674 19.000 0.189 0.000 0.814 546 A HN 0.450 nan 8.150 nan 0.000 0.444 547 A N -1.389 121.479 122.820 0.080 0.000 1.898 547 A HA -0.090 4.227 4.320 -0.006 0.000 0.216 547 A C 2.124 179.725 177.584 0.028 0.000 1.181 547 A CA 1.536 53.608 52.037 0.058 0.000 0.620 547 A CB -0.879 18.169 19.000 0.079 0.000 0.819 547 A HN 0.757 nan 8.150 nan 0.000 0.442 548 Y N 0.619 120.863 120.300 -0.093 0.000 2.165 548 Y HA -0.222 4.325 4.550 -0.006 0.000 0.286 548 Y C 1.925 177.734 175.900 -0.152 0.000 1.155 548 Y CA 2.040 60.059 58.100 -0.135 0.000 1.164 548 Y CB -0.220 38.129 38.460 -0.184 0.000 0.978 548 Y HN 0.222 nan 8.280 nan 0.000 0.513 549 L N -0.192 120.876 121.223 -0.260 0.000 2.056 549 L HA -0.155 4.182 4.340 -0.006 0.000 0.207 549 L C 2.613 179.412 176.870 -0.118 0.000 1.078 549 L CA 1.273 55.982 54.840 -0.218 0.000 0.749 549 L CB -0.578 41.355 42.059 -0.210 0.000 0.901 549 L HN 0.218 nan 8.230 nan 0.000 0.433 550 E N 0.773 120.920 120.200 -0.088 0.000 2.051 550 E HA -0.227 4.119 4.350 -0.006 0.000 0.192 550 E C 2.526 179.077 176.600 -0.082 0.000 0.991 550 E CA 1.846 58.223 56.400 -0.038 0.000 0.799 550 E CB 0.027 29.731 29.700 0.006 0.000 0.748 550 E HN 0.412 nan 8.360 nan 0.000 0.449 551 R N 0.929 121.352 120.500 -0.128 0.000 2.075 551 R HA -0.081 4.256 4.340 -0.006 0.000 0.232 551 R C 2.086 178.240 176.300 -0.243 0.000 1.126 551 R CA 1.947 57.959 56.100 -0.146 0.000 0.963 551 R CB -0.808 29.424 30.300 -0.114 0.000 0.858 551 R HN 0.127 nan 8.270 nan 0.000 0.435 552 E N -2.146 117.800 120.200 -0.423 0.000 2.364 552 E HA 0.207 4.554 4.350 -0.006 0.000 0.196 552 E C -0.549 175.573 176.600 -0.796 0.000 0.990 552 E CA 0.288 56.291 56.400 -0.662 0.000 0.886 552 E CB 0.206 29.301 29.700 -1.009 0.000 0.866 552 E HN 0.681 nan 8.360 nan 0.000 0.493 556 H N 5.882 124.939 119.070 -0.022 0.000 2.594 556 H HA 0.697 5.249 4.556 -0.006 0.000 0.304 556 H C -0.569 174.749 175.328 -0.016 0.000 1.068 556 H CA 0.086 56.127 56.048 -0.012 0.000 1.308 556 H CB 1.490 31.248 29.762 -0.007 0.000 1.409 556 H HN 0.979 nan 8.280 nan 0.000 0.460 557 I N 2.245 122.493 120.570 -0.536 0.000 2.525 557 I HA 0.331 4.498 4.170 -0.006 0.000 0.301 557 I C -0.025 175.769 176.117 -0.539 0.000 0.992 557 I CA -1.160 59.868 61.300 -0.454 0.000 1.162 557 I CB 1.563 39.408 38.000 -0.258 0.000 1.332 557 I HN 0.359 nan 8.210 nan 0.000 0.458 558 N N 5.771 124.325 118.700 -0.243 0.000 2.416 558 N HA 0.244 4.980 4.740 -0.006 0.000 0.265 558 N C -1.858 173.748 175.510 0.160 0.000 1.195 558 N CA -2.116 50.917 53.050 -0.029 0.000 0.943 558 N CB 1.000 39.518 38.487 0.051 0.000 1.115 558 N HN 0.443 nan 8.380 nan 0.000 0.481 559 P HA -0.022 nan 4.420 nan 0.000 0.221 559 P C -0.552 176.751 177.300 0.006 0.000 1.150 559 P CA 1.161 64.332 63.100 0.118 0.000 0.800 559 P CB 0.157 31.900 31.700 0.072 0.000 0.787 560 N N -0.094 118.633 118.700 0.045 0.000 3.209 560 N HA 0.193 4.929 4.740 -0.006 0.000 0.309 560 N C -0.519 175.018 175.510 0.046 0.000 1.384 560 N CA -0.273 52.793 53.050 0.026 0.000 1.173 560 N CB 0.024 38.534 38.487 0.038 0.000 1.460 560 N HN 0.101 nan 8.380 nan 0.000 0.534 561 S N -0.802 114.925 115.700 0.044 0.000 2.588 561 S HA 0.329 4.795 4.470 -0.006 0.000 0.275 561 S C -0.620 173.935 174.600 -0.076 0.000 1.130 561 S CA -1.048 57.158 58.200 0.011 0.000 0.855 561 S CB 1.379 64.618 63.200 0.064 0.000 1.116 561 S HN 0.238 nan 8.310 nan 0.000 0.472 562 L N 2.520 123.513 121.223 -0.384 0.000 2.500 562 L HA 0.336 4.672 4.340 -0.006 0.000 0.272 562 L C -1.090 175.745 176.870 -0.058 0.000 1.149 562 L CA -0.430 54.030 54.840 -0.634 0.000 0.897 562 L CB -0.331 41.101 42.059 -1.046 0.000 1.178 562 L HN 0.671 nan 8.230 nan 0.000 0.473 563 F N 3.865 123.684 119.950 -0.219 0.000 2.464 563 F HA 0.135 4.659 4.527 -0.006 0.000 0.353 563 F C 0.560 176.287 175.800 -0.121 0.000 1.191 563 F CA -0.831 57.094 58.000 -0.124 0.000 1.147 563 F CB -0.166 38.798 39.000 -0.060 0.000 1.294 563 F HN 0.436 nan 8.300 nan 0.000 0.583 564 D N 3.850 124.240 120.400 -0.017 0.000 2.380 564 D HA 0.322 4.959 4.640 -0.006 0.000 0.230 564 D C -0.939 175.296 176.300 -0.108 0.000 1.154 564 D CA -0.025 53.929 54.000 -0.077 0.000 0.859 564 D CB 0.913 41.653 40.800 -0.100 0.000 1.045 564 D HN 0.130 nan 8.370 nan 0.000 0.495 565 V N 4.769 124.605 119.914 -0.130 0.000 2.409 565 V HA 0.339 4.455 4.120 -0.006 0.000 0.291 565 V C -0.108 175.833 176.094 -0.255 0.000 1.020 565 V CA -0.789 61.418 62.300 -0.154 0.000 0.848 565 V CB 1.646 33.462 31.823 -0.012 0.000 0.990 565 V HN 0.499 nan 8.190 nan 0.000 0.430 566 Q N 4.082 123.751 119.800 -0.219 0.000 2.401 566 Q HA 0.626 4.962 4.340 -0.006 0.000 0.260 566 Q C -1.327 174.510 176.000 -0.271 0.000 1.034 566 Q CA -0.453 55.208 55.803 -0.236 0.000 0.737 566 Q CB 1.891 30.520 28.738 -0.182 0.000 1.227 566 Q HN 0.784 nan 8.270 nan 0.000 0.488 567 V N 2.033 121.778 119.914 -0.282 0.000 2.444 567 V HA 0.863 4.980 4.120 -0.006 0.000 0.294 567 V C -0.816 175.009 176.094 -0.448 0.000 1.022 567 V CA -0.559 61.379 62.300 -0.602 0.000 0.850 567 V CB 1.301 32.495 31.823 -1.048 0.000 0.992 567 V HN 0.816 nan 8.190 nan 0.000 0.426 568 K N 2.682 122.873 120.400 -0.348 0.000 3.138 568 K HA 0.360 4.677 4.320 -0.006 0.000 0.309 568 K C -1.353 175.283 176.600 0.061 0.000 1.090 568 K CA -1.108 55.174 56.287 -0.008 0.000 0.816 568 K CB 0.849 33.331 32.500 -0.029 0.000 1.476 568 K HN 0.488 nan 8.250 nan 0.000 0.380 569 R N 0.895 121.495 120.500 0.167 0.000 2.679 569 R HA 0.191 4.527 4.340 -0.006 0.000 0.268 569 R C 0.383 176.751 176.300 0.114 0.000 1.044 569 R CA -0.342 55.877 56.100 0.199 0.000 1.105 569 R CB -0.245 30.272 30.300 0.363 0.000 0.989 569 R HN 0.459 nan 8.270 nan 0.000 0.447 570 I N 4.951 125.491 120.570 -0.050 0.000 2.436 570 I HA 0.131 4.298 4.170 -0.006 0.000 0.289 570 I C 0.761 176.587 176.117 -0.486 0.000 1.083 570 I CA 0.537 61.719 61.300 -0.196 0.000 1.372 570 I CB -0.320 37.573 38.000 -0.179 0.000 1.408 570 I HN 0.304 nan 8.210 nan 0.000 0.516 571 H N 4.373 123.275 119.070 -0.281 0.000 3.012 571 H HA 0.240 4.792 4.556 -0.006 0.000 0.367 571 H C 0.415 175.570 175.328 -0.287 0.000 1.211 571 H CA -0.563 55.343 56.048 -0.238 0.000 1.139 571 H CB 2.116 31.743 29.762 -0.226 0.000 1.838 571 H HN 0.484 nan 8.280 nan 0.000 0.550 572 E N 0.889 121.065 120.200 -0.039 0.000 2.058 572 E HA -0.230 4.117 4.350 -0.006 0.000 0.194 572 E C 1.625 177.935 176.600 -0.484 0.000 0.997 572 E CA 1.836 58.142 56.400 -0.156 0.000 0.801 572 E CB -0.079 29.675 29.700 0.090 0.000 0.746 572 E HN 0.589 nan 8.360 nan 0.000 0.450 573 Y N 1.173 120.956 120.300 -0.862 0.000 2.333 573 Y HA -0.092 4.454 4.550 -0.006 0.000 0.290 573 Y C 1.653 177.344 175.900 -0.348 0.000 1.144 573 Y CA 0.826 58.388 58.100 -0.896 0.000 1.228 573 Y CB -0.028 37.970 38.460 -0.770 0.000 0.985 573 Y HN -0.202 nan 8.280 nan 0.000 0.542 574 K N 1.144 121.058 120.400 -0.811 0.000 2.365 574 K HA -0.049 4.268 4.320 -0.006 0.000 0.199 574 K C 0.404 176.831 176.600 -0.288 0.000 1.045 574 K CA 0.949 56.897 56.287 -0.566 0.000 0.962 574 K CB -0.347 31.854 32.500 -0.499 0.000 0.759 574 K HN 0.475 nan 8.250 nan 0.000 0.469 575 R N 0.865 121.221 120.500 -0.240 0.000 3.333 575 R HA -0.201 4.136 4.340 -0.006 0.000 0.256 575 R C 0.657 176.879 176.300 -0.130 0.000 1.010 575 R CA 0.323 56.337 56.100 -0.144 0.000 0.680 575 R CB -1.980 28.257 30.300 -0.106 0.000 1.102 575 R HN 0.235 nan 8.270 nan 0.000 0.440 576 Q N 0.054 119.773 119.800 -0.135 0.000 2.248 576 Q HA -0.141 4.196 4.340 -0.006 0.000 0.208 576 Q C 1.752 177.707 176.000 -0.075 0.000 0.984 576 Q CA 1.456 57.197 55.803 -0.103 0.000 0.875 576 Q CB -0.045 28.634 28.738 -0.099 0.000 0.910 576 Q HN 0.423 nan 8.270 nan 0.000 0.433 577 L N -0.440 120.740 121.223 -0.071 0.000 2.141 577 L HA -0.108 4.229 4.340 -0.006 0.000 0.209 577 L C 1.786 178.668 176.870 0.019 0.000 1.094 577 L CA 1.187 56.002 54.840 -0.043 0.000 0.763 577 L CB -0.634 41.408 42.059 -0.029 0.000 0.908 577 L HN 0.303 nan 8.230 nan 0.000 0.437 578 L N -0.614 120.620 121.223 0.018 0.000 2.056 578 L HA -0.201 4.136 4.340 -0.006 0.000 0.207 578 L C 2.143 179.104 176.870 0.151 0.000 1.078 578 L CA 1.818 56.697 54.840 0.064 0.000 0.749 578 L CB -0.980 41.029 42.059 -0.084 0.000 0.901 578 L HN 0.450 nan 8.230 nan 0.000 0.433 579 N N -1.518 117.230 118.700 0.081 0.000 2.104 579 N HA -0.250 4.486 4.740 -0.006 0.000 0.190 579 N C 1.944 177.546 175.510 0.153 0.000 1.024 579 N CA 1.679 54.853 53.050 0.206 0.000 0.853 579 N CB -0.133 38.397 38.487 0.071 0.000 1.008 579 N HN 0.506 nan 8.380 nan 0.000 0.424 580 C N 0.522 119.846 119.300 0.039 0.000 2.413 580 C HA -0.104 4.352 4.460 -0.006 0.000 0.276 580 C C 2.595 177.580 174.990 -0.009 0.000 1.236 580 C CA 0.492 59.481 59.018 -0.049 0.000 1.735 580 C CB -1.271 26.389 27.740 -0.133 0.000 2.031 580 C HN 0.496 nan 8.230 nan 0.000 0.474 581 L N -0.403 120.881 121.223 0.102 0.000 2.083 581 L HA -0.191 4.146 4.340 -0.006 0.000 0.209 581 L C 2.735 179.762 176.870 0.261 0.000 1.083 581 L CA 1.826 56.773 54.840 0.179 0.000 0.752 581 L CB -1.095 41.131 42.059 0.279 0.000 0.899 581 L HN 0.570 nan 8.230 nan 0.000 0.433 582 H N 0.071 119.247 119.070 0.176 0.000 2.387 582 H HA -0.128 4.424 4.556 -0.006 0.000 0.299 582 H C 2.177 177.484 175.328 -0.034 0.000 1.090 582 H CA 1.827 57.879 56.048 0.007 0.000 1.332 582 H CB 0.373 30.028 29.762 -0.179 0.000 1.386 582 H HN 0.134 nan 8.280 nan 0.000 0.516 583 V N 1.444 121.246 119.914 -0.186 0.000 2.343 583 V HA -0.249 3.868 4.120 -0.006 0.000 0.247 583 V C 2.796 178.813 176.094 -0.129 0.000 1.051 583 V CA 1.733 63.888 62.300 -0.243 0.000 1.036 583 V CB -0.458 31.275 31.823 -0.151 0.000 0.654 583 V HN 0.381 nan 8.190 nan 0.000 0.451 584 I N 0.049 120.586 120.570 -0.055 0.000 2.315 584 I HA -0.204 3.963 4.170 -0.006 0.000 0.248 584 I C 2.506 178.692 176.117 0.115 0.000 1.117 584 I CA 1.597 62.947 61.300 0.083 0.000 1.404 584 I CB -0.736 37.300 38.000 0.060 0.000 1.071 584 I HN 0.324 nan 8.210 nan 0.000 0.419 585 T N 1.382 115.961 114.554 0.042 0.000 2.652 585 T HA -0.168 4.178 4.350 -0.006 0.000 0.267 585 T C 1.905 176.574 174.700 -0.052 0.000 1.039 585 T CA 1.197 63.315 62.100 0.030 0.000 1.153 585 T CB -0.333 68.580 68.868 0.074 0.000 0.863 585 T HN 0.067 nan 8.240 nan 0.000 0.428 586 L N 0.272 121.387 121.223 -0.179 0.000 1.997 586 L HA -0.128 4.208 4.340 -0.006 0.000 0.216 586 L C 2.162 179.008 176.870 -0.041 0.000 1.074 586 L CA 1.706 56.441 54.840 -0.175 0.000 0.763 586 L CB -1.302 40.577 42.059 -0.300 0.000 0.890 586 L HN 0.335 nan 8.230 nan 0.000 0.434 587 Y N 0.638 120.886 120.300 -0.087 0.000 2.097 587 Y HA -0.269 4.278 4.550 -0.005 0.000 0.282 587 Y C 2.495 178.390 175.900 -0.008 0.000 1.152 587 Y CA 1.981 60.073 58.100 -0.014 0.000 1.136 587 Y CB -0.383 38.124 38.460 0.078 0.000 0.975 587 Y HN 0.317 nan 8.280 nan 0.000 0.498 588 N N 0.329 118.993 118.700 -0.060 0.000 2.223 588 N HA -0.137 4.600 4.740 -0.006 0.000 0.185 588 N C 1.902 177.312 175.510 -0.166 0.000 1.016 588 N CA 1.405 54.354 53.050 -0.168 0.000 0.863 588 N CB -0.374 38.083 38.487 -0.051 0.000 0.983 588 N HN 0.448 nan 8.380 nan 0.000 0.429 589 R N 0.444 120.876 120.500 -0.114 0.000 2.096 589 R HA 0.057 4.394 4.340 -0.006 0.000 0.235 589 R C 2.191 178.418 176.300 -0.122 0.000 1.127 589 R CA 0.739 56.779 56.100 -0.101 0.000 0.968 589 R CB -0.243 30.009 30.300 -0.080 0.000 0.861 589 R HN 0.241 nan 8.270 nan 0.000 0.440 590 I N 0.946 121.425 120.570 -0.152 0.000 2.252 590 I HA -0.261 3.906 4.170 -0.006 0.000 0.245 590 I C 2.070 178.081 176.117 -0.177 0.000 1.102 590 I CA 1.183 62.392 61.300 -0.151 0.000 1.385 590 I CB -0.140 37.775 38.000 -0.141 0.000 1.064 590 I HN 0.008 nan 8.210 nan 0.000 0.414 591 K N 0.785 121.020 120.400 -0.275 0.000 2.147 591 K HA -0.127 4.189 4.320 -0.006 0.000 0.205 591 K C 1.961 178.466 176.600 -0.159 0.000 1.049 591 K CA 1.067 57.202 56.287 -0.254 0.000 0.936 591 K CB -0.281 31.994 32.500 -0.375 0.000 0.722 591 K HN 0.241 nan 8.250 nan 0.000 0.446 592 K N 0.993 121.308 120.400 -0.142 0.000 2.155 592 K HA -0.028 4.288 4.320 -0.006 0.000 0.203 592 K C 0.285 176.841 176.600 -0.073 0.000 1.052 592 K CA 0.812 57.040 56.287 -0.098 0.000 0.948 592 K CB 0.208 32.655 32.500 -0.087 0.000 0.728 592 K HN 0.329 nan 8.250 nan 0.000 0.448 593 E N 0.208 120.364 120.200 -0.073 0.000 2.914 593 E HA 0.148 4.494 4.350 -0.006 0.000 0.246 593 E C -2.334 174.235 176.600 -0.052 0.000 1.146 593 E CA -1.394 54.976 56.400 -0.051 0.000 0.803 593 E CB 1.503 31.181 29.700 -0.038 0.000 1.409 593 E HN -0.126 nan 8.360 nan 0.000 0.392 594 P HA -0.123 nan 4.420 nan 0.000 0.220 594 P C 0.410 177.695 177.300 -0.025 0.000 1.148 594 P CA 1.157 64.229 63.100 -0.047 0.000 0.803 594 P CB 0.217 31.893 31.700 -0.041 0.000 0.782 595 N N -1.149 117.544 118.700 -0.012 0.000 2.446 595 N HA -0.036 4.701 4.740 -0.006 0.000 0.179 595 N C 0.838 176.366 175.510 0.030 0.000 1.054 595 N CA 0.085 53.141 53.050 0.009 0.000 0.905 595 N CB -0.062 38.431 38.487 0.009 0.000 0.973 595 N HN 0.036 nan 8.380 nan 0.000 0.448 596 K N 1.657 122.069 120.400 0.019 0.000 2.349 596 K HA 0.014 4.331 4.320 -0.006 0.000 0.288 596 K C -0.671 175.970 176.600 0.069 0.000 1.058 596 K CA -0.319 55.997 56.287 0.047 0.000 0.953 596 K CB 0.218 32.729 32.500 0.018 0.000 0.997 596 K HN -0.041 nan 8.250 nan 0.000 0.477 597 F N 5.316 125.255 119.950 -0.019 0.000 2.608 597 F HA 0.017 4.544 4.527 -0.000 0.000 0.380 597 F C -0.239 175.547 175.800 -0.023 0.000 1.083 597 F CA 0.058 58.048 58.000 -0.018 0.000 1.266 597 F CB 0.512 39.504 39.000 -0.012 0.000 1.076 597 F HN 0.213 nan 8.300 nan 0.000 0.574 598 V N 4.683 124.130 119.914 -0.778 0.000 2.735 598 V HA 0.512 4.628 4.120 -0.006 0.000 0.310 598 V C -0.597 174.881 176.094 -1.026 0.000 1.061 598 V CA -1.237 60.672 62.300 -0.651 0.000 0.913 598 V CB 1.028 32.657 31.823 -0.324 0.000 1.005 598 V HN 0.619 nan 8.190 nan 0.000 0.428 599 V N 6.213 125.784 119.914 -0.572 0.000 2.506 599 V HA 0.123 4.240 4.120 -0.006 0.000 0.296 599 V C -1.542 174.358 176.094 -0.322 0.000 1.004 599 V CA -0.267 61.838 62.300 -0.326 0.000 1.150 599 V CB 0.008 31.774 31.823 -0.095 0.000 0.911 599 V HN 0.915 nan 8.190 nan 0.000 0.476 600 P HA 0.233 nan 4.420 nan 0.000 0.268 600 P C -0.474 176.710 177.300 -0.193 0.000 1.204 600 P CA 0.015 62.996 63.100 -0.199 0.000 0.768 600 P CB 0.652 32.285 31.700 -0.113 0.000 0.842 601 R N 1.202 121.601 120.500 -0.167 0.000 2.686 601 R HA 0.542 4.879 4.340 -0.006 0.000 0.286 601 R C -0.437 175.798 176.300 -0.109 0.000 0.969 601 R CA -0.617 55.387 56.100 -0.160 0.000 0.898 601 R CB 1.858 32.048 30.300 -0.184 0.000 1.183 601 R HN 0.305 nan 8.270 nan 0.000 0.456 602 T N 2.139 116.640 114.554 -0.088 0.000 2.770 602 T HA 0.256 4.603 4.350 -0.006 0.000 0.297 602 T C -0.350 174.245 174.700 -0.175 0.000 0.997 602 T CA -0.526 61.483 62.100 -0.150 0.000 0.949 602 T CB 1.064 69.778 68.868 -0.258 0.000 0.941 602 T HN 0.128 nan 8.240 nan 0.000 0.457 603 V N 5.986 125.809 119.914 -0.152 0.000 2.406 603 V HA 0.425 4.541 4.120 -0.006 0.000 0.272 603 V C 0.086 176.090 176.094 -0.151 0.000 1.043 603 V CA -0.403 61.814 62.300 -0.138 0.000 0.915 603 V CB 0.696 32.452 31.823 -0.112 0.000 0.988 603 V HN 0.852 nan 8.190 nan 0.000 0.466 604 M N 6.707 126.207 119.600 -0.167 0.000 2.243 604 M HA 0.626 5.103 4.480 -0.006 0.000 0.324 604 M C -1.067 175.114 176.300 -0.199 0.000 1.031 604 M CA -0.244 54.946 55.300 -0.182 0.000 0.949 604 M CB 2.152 34.633 32.600 -0.198 0.000 1.615 604 M HN 0.407 nan 8.290 nan 0.000 0.430 605 I N 1.865 122.293 120.570 -0.236 0.000 2.466 605 I HA 0.755 4.922 4.170 -0.006 0.000 0.289 605 I C 0.058 175.793 176.117 -0.637 0.000 1.026 605 I CA -0.629 60.495 61.300 -0.292 0.000 1.078 605 I CB 2.227 40.153 38.000 -0.122 0.000 1.249 605 I HN 0.803 nan 8.210 nan 0.000 0.429 606 G N 3.091 111.509 108.800 -0.636 0.000 2.574 606 G HA2 0.868 4.824 3.960 -0.006 0.000 0.299 606 G HA3 0.868 4.824 3.960 -0.006 0.000 0.299 606 G C -0.842 173.768 174.900 -0.483 0.000 1.298 606 G CA -0.974 43.640 45.100 -0.811 0.000 0.952 606 G HN 0.984 nan 8.290 nan 0.000 0.477 607 G N -0.249 108.438 108.800 -0.189 0.000 2.318 607 G HA2 0.348 4.305 3.960 -0.006 0.000 0.302 607 G HA3 0.348 4.305 3.960 -0.006 0.000 0.302 607 G C -1.132 173.921 174.900 0.256 0.000 1.633 607 G CA -1.057 44.104 45.100 0.102 0.000 0.965 607 G HN 0.616 nan 8.290 nan 0.000 0.698 608 K N 0.078 120.605 120.400 0.211 0.000 2.118 608 K HA 0.728 5.045 4.320 -0.006 0.000 0.267 608 K C 0.288 177.011 176.600 0.204 0.000 0.991 608 K CA -0.179 56.237 56.287 0.215 0.000 0.916 608 K CB 2.051 34.533 32.500 -0.031 0.000 1.041 608 K HN 0.864 nan 8.250 nan 0.000 0.455 609 A N 1.451 124.432 122.820 0.269 0.000 2.324 609 A HA 0.598 4.914 4.320 -0.006 0.000 0.330 609 A C -0.355 177.375 177.584 0.243 0.000 1.165 609 A CA -0.742 51.360 52.037 0.108 0.000 0.813 609 A CB 0.979 19.961 19.000 -0.030 0.000 1.197 609 A HN 0.787 nan 8.150 nan 0.000 0.484 610 A N 3.636 126.572 122.820 0.193 0.000 2.566 610 A HA 0.423 4.740 4.320 -0.006 0.000 0.245 610 A C -1.411 176.221 177.584 0.081 0.000 1.056 610 A CA -0.618 51.544 52.037 0.208 0.000 0.757 610 A CB -0.399 18.727 19.000 0.209 0.000 0.979 610 A HN 0.593 nan 8.150 nan 0.000 0.508 611 P HA -0.137 nan 4.420 nan 0.000 0.218 611 P C 1.332 178.594 177.300 -0.064 0.000 1.146 611 P CA 1.937 64.931 63.100 -0.176 0.000 0.813 611 P CB 0.220 31.757 31.700 -0.271 0.000 0.778 612 G N -3.271 105.519 108.800 -0.016 0.000 3.088 612 G HA2 -0.100 3.856 3.960 -0.006 0.000 0.217 612 G HA3 -0.100 3.856 3.960 -0.006 0.000 0.217 612 G C -0.227 174.683 174.900 0.017 0.000 1.159 612 G CA 0.014 45.106 45.100 -0.013 0.000 0.760 612 G HN 0.164 nan 8.290 nan 0.000 0.550 613 Y N 1.928 122.169 120.300 -0.100 0.000 2.627 613 Y HA 0.283 4.830 4.550 -0.005 0.000 0.347 613 Y C 1.431 177.315 175.900 -0.028 0.000 1.099 613 Y CA -1.944 56.090 58.100 -0.110 0.000 1.408 613 Y CB -0.119 38.252 38.460 -0.148 0.000 1.247 613 Y HN 0.368 nan 8.280 nan 0.000 0.506 614 H N 3.427 122.618 119.070 0.202 0.000 2.321 614 H HA -0.208 4.345 4.556 -0.005 0.000 0.300 614 H C 1.977 177.384 175.328 0.131 0.000 1.087 614 H CA 2.735 58.859 56.048 0.126 0.000 1.319 614 H CB 0.205 30.017 29.762 0.083 0.000 1.379 614 H HN 0.603 nan 8.280 nan 0.000 0.501 615 M N 0.569 120.183 119.600 0.023 0.000 2.080 615 M HA -0.053 4.423 4.480 -0.006 0.000 0.260 615 M C 2.415 178.552 176.300 -0.271 0.000 1.068 615 M CA 1.997 57.235 55.300 -0.103 0.000 1.109 615 M CB -0.896 31.796 32.600 0.153 0.000 1.342 615 M HN 0.406 nan 8.290 nan 0.000 0.405 616 A N -0.397 122.088 122.820 -0.558 0.000 1.933 616 A HA -0.205 4.111 4.320 -0.006 0.000 0.218 616 A C 2.199 179.591 177.584 -0.320 0.000 1.175 616 A CA 1.968 53.590 52.037 -0.692 0.000 0.628 616 A CB -0.691 17.571 19.000 -1.231 0.000 0.814 616 A HN 0.607 nan 8.150 nan 0.000 0.444 617 K N -1.226 119.063 120.400 -0.185 0.000 2.097 617 K HA -0.069 4.248 4.320 -0.006 0.000 0.205 617 K C 1.984 178.569 176.600 -0.025 0.000 1.050 617 K CA 1.332 57.592 56.287 -0.045 0.000 0.938 617 K CB -0.219 32.320 32.500 0.065 0.000 0.718 617 K HN 0.337 nan 8.250 nan 0.000 0.442 618 M N 0.578 120.121 119.600 -0.094 0.000 2.175 618 M HA -0.085 4.392 4.480 -0.006 0.000 0.264 618 M C 2.134 178.377 176.300 -0.094 0.000 1.063 618 M CA 1.435 56.709 55.300 -0.045 0.000 1.119 618 M CB -0.662 31.879 32.600 -0.098 0.000 1.377 618 M HN 0.126 nan 8.290 nan 0.000 0.415 619 I N -0.122 120.349 120.570 -0.165 0.000 2.226 619 I HA -0.318 3.848 4.170 -0.006 0.000 0.245 619 I C 2.271 178.252 176.117 -0.228 0.000 1.100 619 I CA 1.177 62.360 61.300 -0.195 0.000 1.374 619 I CB -0.379 37.503 38.000 -0.197 0.000 1.057 619 I HN 0.184 nan 8.210 nan 0.000 0.413 620 I N 0.644 121.059 120.570 -0.258 0.000 2.226 620 I HA -0.301 3.866 4.170 -0.006 0.000 0.245 620 I C 2.585 178.420 176.117 -0.470 0.000 1.100 620 I CA 1.234 62.270 61.300 -0.440 0.000 1.374 620 I CB -0.352 37.337 38.000 -0.518 0.000 1.057 620 I HN 0.154 nan 8.210 nan 0.000 0.413 621 K N 1.548 121.709 120.400 -0.399 0.000 2.097 621 K HA -0.133 4.184 4.320 -0.006 0.000 0.206 621 K C 2.013 178.468 176.600 -0.241 0.000 1.049 621 K CA 1.447 57.432 56.287 -0.504 0.000 0.933 621 K CB -0.508 31.474 32.500 -0.863 0.000 0.717 621 K HN 0.248 nan 8.250 nan 0.000 0.442 622 L N 0.208 121.280 121.223 -0.253 0.000 2.017 622 L HA -0.151 4.185 4.340 -0.006 0.000 0.208 622 L C 2.155 178.777 176.870 -0.413 0.000 1.073 622 L CA 1.530 56.022 54.840 -0.579 0.000 0.745 622 L CB -0.232 41.385 42.059 -0.737 0.000 0.894 622 L HN 0.235 nan 8.230 nan 0.000 0.432 623 I N -0.326 120.063 120.570 -0.302 0.000 2.179 623 I HA -0.330 3.836 4.170 -0.006 0.000 0.242 623 I C 2.630 178.650 176.117 -0.161 0.000 1.088 623 I CA 1.908 63.091 61.300 -0.195 0.000 1.357 623 I CB -0.603 37.372 38.000 -0.042 0.000 1.051 623 I HN 0.423 nan 8.210 nan 0.000 0.409 624 T N -0.653 113.785 114.554 -0.195 0.000 2.746 624 T HA -0.128 4.218 4.350 -0.006 0.000 0.267 624 T C 1.999 176.632 174.700 -0.111 0.000 1.039 624 T CA 1.054 63.066 62.100 -0.147 0.000 1.142 624 T CB -0.616 68.123 68.868 -0.214 0.000 0.866 624 T HN 0.350 nan 8.240 nan 0.000 0.444 625 A N 1.308 124.057 122.820 -0.119 0.000 1.969 625 A HA 0.160 4.477 4.320 -0.006 0.000 0.218 625 A C 2.368 179.952 177.584 0.000 0.000 1.169 625 A CA 1.114 53.144 52.037 -0.013 0.000 0.635 625 A CB -0.832 18.265 19.000 0.162 0.000 0.810 625 A HN 0.580 nan 8.150 nan 0.000 0.445 626 I N -0.170 120.287 120.570 -0.189 0.000 2.127 626 I HA -0.239 3.928 4.170 -0.006 0.000 0.241 626 I C 2.751 178.810 176.117 -0.097 0.000 1.075 626 I CA 1.315 62.453 61.300 -0.271 0.000 1.334 626 I CB -0.690 37.043 38.000 -0.445 0.000 1.040 626 I HN 0.382 nan 8.210 nan 0.000 0.405 627 G N 0.368 109.116 108.800 -0.088 0.000 2.469 627 G HA2 -0.287 3.670 3.960 -0.006 0.000 0.220 627 G HA3 -0.287 3.670 3.960 -0.006 0.000 0.220 627 G C 1.239 176.168 174.900 0.049 0.000 1.136 627 G CA 1.214 46.291 45.100 -0.038 0.000 0.759 627 G HN 0.318 nan 8.290 nan 0.000 0.562 628 D N -0.068 120.376 120.400 0.073 0.000 2.144 628 D HA -0.072 4.564 4.640 -0.006 0.000 0.199 628 D C 2.672 179.073 176.300 0.168 0.000 0.984 628 D CA 0.727 54.806 54.000 0.132 0.000 0.834 628 D CB -0.187 40.612 40.800 -0.001 0.000 0.955 628 D HN 0.278 nan 8.370 nan 0.000 0.465 629 V N 0.087 120.039 119.914 0.064 0.000 2.426 629 V HA -0.105 4.012 4.120 -0.006 0.000 0.242 629 V C 2.560 178.622 176.094 -0.053 0.000 1.036 629 V CA 0.591 62.869 62.300 -0.036 0.000 1.044 629 V CB -0.098 31.635 31.823 -0.150 0.000 0.688 629 V HN 0.015 nan 8.190 nan 0.000 0.462 630 V N 1.086 120.916 119.914 -0.140 0.000 2.295 630 V HA -0.215 3.902 4.120 -0.006 0.000 0.246 630 V C 2.173 178.255 176.094 -0.020 0.000 1.049 630 V CA 2.136 64.343 62.300 -0.156 0.000 1.024 630 V CB -0.834 30.888 31.823 -0.168 0.000 0.648 630 V HN 0.572 nan 8.190 nan 0.000 0.447 631 N N -0.389 118.276 118.700 -0.058 0.000 2.512 631 N HA -0.090 4.647 4.740 -0.006 0.000 0.183 631 N C 1.343 176.666 175.510 -0.312 0.000 1.073 631 N CA 0.927 53.859 53.050 -0.196 0.000 0.911 631 N CB -0.269 38.036 38.487 -0.304 0.000 0.964 631 N HN 0.679 nan 8.380 nan 0.000 0.447 632 H N -1.461 117.609 119.070 0.001 0.000 2.755 632 H HA 0.191 4.744 4.556 -0.005 0.000 0.273 632 H C -0.337 175.008 175.328 0.027 0.000 1.055 632 H CA -0.451 55.601 56.048 0.006 0.000 1.191 632 H CB 0.487 30.242 29.762 -0.012 0.000 1.536 632 H HN 0.008 nan 8.280 nan 0.000 0.529 633 D N 2.736 123.227 120.400 0.151 0.000 2.338 633 D HA 0.002 4.639 4.640 -0.006 0.000 0.255 633 D C -1.362 175.004 176.300 0.110 0.000 1.237 633 D CA -2.045 52.051 54.000 0.160 0.000 0.883 633 D CB 1.499 42.470 40.800 0.286 0.000 1.087 633 D HN 0.134 nan 8.370 nan 0.000 0.485 634 P HA -0.158 nan 4.420 nan 0.000 0.218 634 P C 1.597 178.922 177.300 0.042 0.000 1.148 634 P CA 0.475 63.605 63.100 0.051 0.000 0.822 634 P CB 0.413 32.138 31.700 0.041 0.000 0.784 635 V N -0.298 119.645 119.914 0.048 0.000 2.490 635 V HA -0.167 3.949 4.120 -0.006 0.000 0.250 635 V C 2.714 178.821 176.094 0.021 0.000 1.061 635 V CA 1.498 63.813 62.300 0.024 0.000 1.064 635 V CB -0.825 31.001 31.823 0.006 0.000 0.670 635 V HN -0.027 nan 8.190 nan 0.000 0.461 636 V N -0.506 119.441 119.914 0.055 0.000 2.283 636 V HA 0.242 4.359 4.120 -0.006 0.000 0.239 636 V C 1.977 178.086 176.094 0.024 0.000 1.035 636 V CA 1.610 63.940 62.300 0.051 0.000 1.018 636 V CB -1.143 30.759 31.823 0.132 0.000 0.658 636 V HN 0.649 nan 8.190 nan 0.000 0.459 637 G N 1.737 110.555 108.800 0.030 0.000 2.596 637 G HA2 -0.452 3.505 3.960 -0.006 0.000 0.304 637 G HA3 -0.452 3.505 3.960 -0.006 0.000 0.304 637 G C 0.613 175.518 174.900 0.008 0.000 1.189 637 G CA 0.817 45.926 45.100 0.014 0.000 0.986 637 G HN 0.658 nan 8.290 nan 0.000 0.548 638 D N 0.769 121.175 120.400 0.010 0.000 2.347 638 D HA 0.037 4.674 4.640 -0.006 0.000 0.215 638 D C 2.159 178.447 176.300 -0.020 0.000 0.976 638 D CA 1.123 55.132 54.000 0.015 0.000 0.884 638 D CB -0.349 40.471 40.800 0.033 0.000 0.915 638 D HN 0.610 nan 8.370 nan 0.000 0.526 639 R N -0.920 119.555 120.500 -0.042 0.000 2.115 639 R HA 0.133 4.470 4.340 -0.006 0.000 0.226 639 R C 0.030 176.275 176.300 -0.092 0.000 1.100 639 R CA 0.425 56.470 56.100 -0.092 0.000 0.980 639 R CB 0.045 30.279 30.300 -0.110 0.000 0.875 639 R HN 0.178 nan 8.270 nan 0.000 0.445 640 L N 0.599 121.790 121.223 -0.054 0.000 2.516 640 L HA 0.350 4.687 4.340 -0.006 0.000 0.267 640 L C -1.554 175.287 176.870 -0.048 0.000 0.957 640 L CA -0.447 54.359 54.840 -0.057 0.000 0.860 640 L CB 1.797 43.834 42.059 -0.036 0.000 1.265 640 L HN -0.187 nan 8.230 nan 0.000 0.403 641 R N 3.950 124.405 120.500 -0.074 0.000 2.599 641 R HA 0.787 5.124 4.340 -0.006 0.000 0.295 641 R C -1.511 174.729 176.300 -0.101 0.000 0.963 641 R CA -0.795 55.254 56.100 -0.084 0.000 0.883 641 R CB 2.325 32.571 30.300 -0.091 0.000 1.171 641 R HN 0.414 nan 8.270 nan 0.000 0.450 642 V N 4.943 124.800 119.914 -0.095 0.000 2.407 642 V HA 0.524 4.641 4.120 -0.006 0.000 0.291 642 V C 0.193 176.241 176.094 -0.077 0.000 1.018 642 V CA -0.841 61.401 62.300 -0.095 0.000 0.842 642 V CB 1.489 33.252 31.823 -0.101 0.000 0.996 642 V HN 0.686 nan 8.190 nan 0.000 0.426 643 I N 1.224 121.746 120.570 -0.079 0.000 2.545 643 I HA 0.673 4.840 4.170 -0.006 0.000 0.292 643 I C -1.170 174.933 176.117 -0.023 0.000 1.040 643 I CA -0.749 60.520 61.300 -0.052 0.000 1.068 643 I CB 2.058 40.007 38.000 -0.086 0.000 1.251 643 I HN 0.455 nan 8.210 nan 0.000 0.424 644 F N 6.765 126.648 119.950 -0.112 0.000 2.411 644 F HA 0.480 5.003 4.527 -0.006 0.000 0.355 644 F C -0.477 175.262 175.800 -0.100 0.000 1.117 644 F CA -0.597 57.341 58.000 -0.103 0.000 1.139 644 F CB 1.099 40.039 39.000 -0.098 0.000 1.120 644 F HN 0.402 nan 8.300 nan 0.000 0.493 645 L N 6.176 127.050 121.223 -0.581 0.000 2.385 645 L HA 0.132 4.469 4.340 -0.006 0.000 0.281 645 L C 0.294 176.971 176.870 -0.323 0.000 1.106 645 L CA 0.092 54.724 54.840 -0.348 0.000 0.856 645 L CB 0.138 42.059 42.059 -0.231 0.000 1.186 645 L HN 0.608 nan 8.230 nan 0.000 0.453 646 E N 3.815 123.955 120.200 -0.101 0.000 2.360 646 E HA -0.014 4.333 4.350 -0.006 0.000 0.269 646 E C 0.396 177.085 176.600 0.148 0.000 1.022 646 E CA -0.279 56.175 56.400 0.090 0.000 0.887 646 E CB 0.320 30.026 29.700 0.011 0.000 0.990 646 E HN 0.555 nan 8.360 nan 0.000 0.426 647 N N 2.705 121.529 118.700 0.207 0.000 2.738 647 N HA -0.272 4.465 4.740 -0.006 0.000 0.249 647 N C -1.599 174.006 175.510 0.160 0.000 1.047 647 N CA 0.514 53.671 53.050 0.177 0.000 0.707 647 N CB -1.714 36.887 38.487 0.190 0.000 0.937 647 N HN 0.532 nan 8.380 nan 0.000 0.545 648 Y N 1.713 122.028 120.300 0.024 0.000 2.729 648 Y HA 0.141 4.688 4.550 -0.005 0.000 0.331 648 Y C 1.144 177.060 175.900 0.027 0.000 1.208 648 Y CA 0.680 58.782 58.100 0.003 0.000 1.521 648 Y CB 0.221 38.654 38.460 -0.045 0.000 1.233 648 Y HN 0.376 nan 8.280 nan 0.000 0.539 649 R N 2.452 122.619 120.500 -0.556 0.000 2.762 649 R HA 0.436 4.773 4.340 -0.006 0.000 0.271 649 R C -0.402 175.586 176.300 -0.521 0.000 1.038 649 R CA -0.568 55.271 56.100 -0.435 0.000 0.906 649 R CB 0.298 30.532 30.300 -0.110 0.000 1.259 649 R HN 0.328 nan 8.270 nan 0.000 0.457 650 V N 1.074 120.732 119.914 -0.426 0.000 2.282 650 V HA -0.297 3.820 4.120 -0.006 0.000 0.249 650 V C 2.548 178.548 176.094 -0.157 0.000 1.057 650 V CA 2.854 64.979 62.300 -0.292 0.000 1.032 650 V CB -0.844 30.803 31.823 -0.292 0.000 0.645 650 V HN 0.922 nan 8.190 nan 0.000 0.447 651 S N -0.295 115.323 115.700 -0.137 0.000 2.423 651 S HA -0.122 4.344 4.470 -0.006 0.000 0.231 651 S C 1.871 176.428 174.600 -0.073 0.000 1.014 651 S CA 1.419 59.558 58.200 -0.101 0.000 0.965 651 S CB -0.366 62.795 63.200 -0.065 0.000 0.785 651 S HN 0.390 nan 8.310 nan 0.000 0.495 652 L N 1.931 123.120 121.223 -0.056 0.000 2.095 652 L HA 0.370 4.707 4.340 -0.006 0.000 0.204 652 L C 2.722 179.640 176.870 0.081 0.000 1.080 652 L CA 1.392 56.249 54.840 0.029 0.000 0.759 652 L CB -1.360 40.775 42.059 0.126 0.000 0.914 652 L HN 0.320 nan 8.230 nan 0.000 0.439 653 A N -0.531 122.317 122.820 0.048 0.000 1.892 653 A HA -0.290 4.027 4.320 -0.006 0.000 0.218 653 A C 2.151 179.827 177.584 0.154 0.000 1.188 653 A CA 2.130 54.262 52.037 0.158 0.000 0.631 653 A CB -0.736 18.332 19.000 0.113 0.000 0.822 653 A HN 0.602 nan 8.150 nan 0.000 0.447 654 E N -0.498 119.786 120.200 0.140 0.000 2.160 654 E HA -0.207 4.139 4.350 -0.006 0.000 0.195 654 E C 2.072 178.675 176.600 0.005 0.000 0.991 654 E CA 1.453 57.882 56.400 0.049 0.000 0.810 654 E CB -0.118 29.510 29.700 -0.120 0.000 0.742 654 E HN 0.638 nan 8.360 nan 0.000 0.466 655 K N 0.130 120.526 120.400 -0.006 0.000 2.067 655 K HA -0.025 4.292 4.320 -0.006 0.000 0.203 655 K C 2.183 178.761 176.600 -0.037 0.000 1.048 655 K CA 0.702 57.004 56.287 0.025 0.000 0.954 655 K CB -0.021 32.483 32.500 0.006 0.000 0.737 655 K HN -0.019 nan 8.250 nan 0.000 0.444 656 V N 1.528 121.318 119.914 -0.206 0.000 2.535 656 V HA -0.085 4.032 4.120 -0.006 0.000 0.246 656 V C 1.835 177.720 176.094 -0.350 0.000 1.045 656 V CA 1.015 62.926 62.300 -0.649 0.000 1.058 656 V CB -0.100 31.315 31.823 -0.680 0.000 0.689 656 V HN 0.229 nan 8.190 nan 0.000 0.461 657 I N 0.861 121.272 120.570 -0.265 0.000 2.226 657 I HA -0.111 4.056 4.170 -0.006 0.000 0.245 657 I C -0.296 175.717 176.117 -0.174 0.000 1.100 657 I CA 1.444 62.507 61.300 -0.395 0.000 1.374 657 I CB -1.544 36.064 38.000 -0.653 0.000 1.057 657 I HN 0.360 nan 8.210 nan 0.000 0.413 658 P HA -0.130 nan 4.420 nan 0.000 0.221 658 P C 0.979 178.285 177.300 0.009 0.000 1.145 658 P CA 1.307 64.397 63.100 -0.016 0.000 0.795 658 P CB 0.040 31.741 31.700 0.003 0.000 0.775 659 A N -1.274 121.542 122.820 -0.006 0.000 2.267 659 A HA 0.488 4.805 4.320 -0.006 0.000 0.213 659 A C 1.165 178.840 177.584 0.150 0.000 1.192 659 A CA 0.087 52.162 52.037 0.063 0.000 0.851 659 A CB -0.619 18.454 19.000 0.122 0.000 0.881 659 A HN 0.192 nan 8.150 nan 0.000 0.494 660 A N 0.069 122.976 122.820 0.145 0.000 2.388 660 A HA 0.435 4.752 4.320 -0.006 0.000 0.257 660 A C 0.421 178.144 177.584 0.232 0.000 1.095 660 A CA -0.041 52.142 52.037 0.244 0.000 0.791 660 A CB 0.289 19.529 19.000 0.400 0.000 1.029 660 A HN 0.295 nan 8.150 nan 0.000 0.489 661 D N 0.323 120.865 120.400 0.237 0.000 2.369 661 D HA 0.091 4.728 4.640 -0.006 0.000 0.231 661 D C -0.140 176.372 176.300 0.354 0.000 0.967 661 D CA 0.868 55.070 54.000 0.336 0.000 0.905 661 D CB 0.157 41.108 40.800 0.252 0.000 1.044 661 D HN 0.358 nan 8.370 nan 0.000 0.487 662 L N 0.655 121.979 121.223 0.167 0.000 2.333 662 L HA 0.335 4.671 4.340 -0.006 0.000 0.280 662 L C -0.602 176.161 176.870 -0.178 0.000 1.004 662 L CA -0.479 54.380 54.840 0.031 0.000 0.820 662 L CB 2.009 44.065 42.059 -0.005 0.000 1.247 662 L HN -0.291 nan 8.230 nan 0.000 0.416 663 S N 4.138 119.644 115.700 -0.322 0.000 2.422 663 S HA 0.411 4.878 4.470 -0.006 0.000 0.298 663 S C -0.523 173.799 174.600 -0.464 0.000 1.118 663 S CA -0.656 57.089 58.200 -0.758 0.000 1.083 663 S CB 0.245 62.994 63.200 -0.752 0.000 0.971 663 S HN 0.608 nan 8.310 nan 0.000 0.478 664 E N 3.996 123.921 120.200 -0.457 0.000 2.152 664 E HA 0.218 4.564 4.350 -0.006 0.000 0.285 664 E C -0.515 175.966 176.600 -0.199 0.000 1.043 664 E CA -0.364 55.904 56.400 -0.219 0.000 0.839 664 E CB 0.998 30.605 29.700 -0.157 0.000 1.069 664 E HN 0.592 nan 8.360 nan 0.000 0.399 665 Q N 2.767 122.516 119.800 -0.086 0.000 3.300 665 Q HA 0.255 4.592 4.340 -0.006 0.000 0.271 665 Q C 0.555 176.537 176.000 -0.030 0.000 0.926 665 Q CA -0.090 55.673 55.803 -0.067 0.000 0.788 665 Q CB 0.240 28.951 28.738 -0.044 0.000 1.385 665 Q HN 0.629 nan 8.270 nan 0.000 0.424 666 I N -1.763 118.774 120.570 -0.055 0.000 3.762 666 I HA 0.275 4.441 4.170 -0.006 0.000 0.333 666 I C 0.529 176.588 176.117 -0.096 0.000 1.566 666 I CA -0.657 60.617 61.300 -0.044 0.000 1.129 666 I CB 0.457 38.417 38.000 -0.066 0.000 1.218 666 I HN 0.039 nan 8.210 nan 0.000 0.456 667 S N 0.999 116.646 115.700 -0.087 0.000 2.559 667 S HA 0.010 4.476 4.470 -0.006 0.000 0.282 667 S C 0.608 175.189 174.600 -0.033 0.000 1.336 667 S CA 0.121 58.298 58.200 -0.038 0.000 1.037 667 S CB 0.639 63.867 63.200 0.047 0.000 0.853 667 S HN 0.515 nan 8.310 nan 0.000 0.523 668 T N 1.144 115.717 114.554 0.032 0.000 2.851 668 T HA 0.457 4.804 4.350 -0.006 0.000 0.298 668 T C 0.481 175.192 174.700 0.019 0.000 0.977 668 T CA -0.317 61.800 62.100 0.027 0.000 1.126 668 T CB -0.221 68.707 68.868 0.100 0.000 0.916 668 T HN 1.226 nan 8.240 nan 0.000 0.529 669 A N 3.412 126.211 122.820 -0.036 0.000 2.580 669 A HA 0.477 4.794 4.320 -0.006 0.000 0.244 669 A C 1.657 179.235 177.584 -0.011 0.000 1.045 669 A CA 0.437 52.450 52.037 -0.040 0.000 0.761 669 A CB -1.190 17.772 19.000 -0.062 0.000 0.962 669 A HN 2.244 nan 8.150 nan 0.000 0.512 670 G N 1.378 110.173 108.800 -0.008 0.000 2.176 670 G HA2 -0.236 3.721 3.960 -0.006 0.000 0.232 670 G HA3 -0.236 3.721 3.960 -0.006 0.000 0.232 670 G C 0.882 175.778 174.900 -0.007 0.000 0.986 670 G CA 1.072 46.170 45.100 -0.003 0.000 0.643 670 G HN 1.952 nan 8.290 nan 0.000 0.522 671 T N -2.222 112.329 114.554 -0.005 0.000 3.056 671 T HA 0.390 4.737 4.350 -0.006 0.000 0.241 671 T C 0.805 175.372 174.700 -0.222 0.000 1.006 671 T CA 1.094 63.139 62.100 -0.091 0.000 1.115 671 T CB 0.434 69.323 68.868 0.036 0.000 0.939 671 T HN 0.299 nan 8.240 nan 0.000 0.462 672 E N 1.539 121.732 120.200 -0.013 0.000 2.070 672 E HA 0.632 4.979 4.350 -0.006 0.000 0.282 672 E C 1.134 177.688 176.600 -0.076 0.000 1.104 672 E CA 0.131 56.553 56.400 0.036 0.000 0.876 672 E CB 0.822 30.608 29.700 0.144 0.000 1.055 672 E HN 0.382 nan 8.360 nan 0.000 0.401 673 A N 3.478 126.176 122.820 -0.202 0.000 1.883 673 A HA -0.194 4.122 4.320 -0.006 0.000 0.217 673 A C 2.000 179.459 177.584 -0.209 0.000 1.186 673 A CA 2.169 53.951 52.037 -0.426 0.000 0.624 673 A CB -0.280 18.210 19.000 -0.850 0.000 0.822 673 A HN 0.613 nan 8.150 nan 0.000 0.444 674 S N -3.710 111.931 115.700 -0.099 0.000 3.770 674 S HA 0.451 4.917 4.470 -0.006 0.000 0.238 674 S C 0.720 175.320 174.600 0.001 0.000 1.143 674 S CA 1.466 59.658 58.200 -0.014 0.000 0.869 674 S CB -0.118 63.099 63.200 0.028 0.000 1.057 674 S HN 2.258 nan 8.310 nan 0.000 0.507 675 G N 0.410 109.218 108.800 0.013 0.000 2.721 675 G HA2 -0.064 3.893 3.960 -0.006 0.000 0.686 675 G HA3 -0.064 3.893 3.960 -0.006 0.000 0.686 675 G C 0.254 175.156 174.900 0.003 0.000 1.236 675 G CA 0.437 45.544 45.100 0.011 0.000 0.786 675 G HN 1.289 nan 8.290 nan 0.000 0.616 676 T N -1.609 112.934 114.554 -0.019 0.000 3.010 676 T HA 0.373 4.719 4.350 -0.006 0.000 0.253 676 T C 2.440 177.063 174.700 -0.129 0.000 0.939 676 T CA 1.254 63.317 62.100 -0.061 0.000 0.910 676 T CB 0.250 69.074 68.868 -0.075 0.000 1.226 676 T HN 1.899 nan 8.240 nan 0.000 0.508 677 G N 3.350 112.096 108.800 -0.090 0.000 2.469 677 G HA2 -0.308 3.648 3.960 -0.006 0.000 0.220 677 G HA3 -0.308 3.648 3.960 -0.006 0.000 0.220 677 G C 1.550 176.506 174.900 0.093 0.000 1.136 677 G CA 1.423 46.487 45.100 -0.059 0.000 0.759 677 G HN 0.695 nan 8.290 nan 0.000 0.562 678 N N 1.099 119.844 118.700 0.074 0.000 2.104 678 N HA -0.141 4.595 4.740 -0.006 0.000 0.190 678 N C 2.052 177.585 175.510 0.037 0.000 1.024 678 N CA 1.812 54.915 53.050 0.088 0.000 0.853 678 N CB -0.768 37.716 38.487 -0.005 0.000 1.008 678 N HN 0.410 nan 8.380 nan 0.000 0.424 679 M N 0.247 119.802 119.600 -0.075 0.000 2.159 679 M HA -0.023 4.453 4.480 -0.006 0.000 0.263 679 M C 1.955 178.220 176.300 -0.059 0.000 1.063 679 M CA 1.493 56.733 55.300 -0.101 0.000 1.110 679 M CB -0.248 32.317 32.600 -0.058 0.000 1.374 679 M HN 0.109 nan 8.290 nan 0.000 0.411 680 K N 0.081 120.381 120.400 -0.166 0.000 2.026 680 K HA -0.109 4.207 4.320 -0.006 0.000 0.208 680 K C 1.697 178.189 176.600 -0.181 0.000 1.048 680 K CA 1.441 57.564 56.287 -0.272 0.000 0.929 680 K CB -0.326 31.799 32.500 -0.624 0.000 0.713 680 K HN 0.134 nan 8.250 nan 0.000 0.439 681 F N 1.125 121.013 119.950 -0.103 0.000 2.134 681 F HA -0.163 4.361 4.527 -0.005 0.000 0.299 681 F C 2.570 178.340 175.800 -0.050 0.000 1.097 681 F CA 1.298 59.256 58.000 -0.070 0.000 1.264 681 F CB -0.334 38.615 39.000 -0.084 0.000 1.001 681 F HN 0.009 nan 8.300 nan 0.000 0.479 682 M N -0.496 119.182 119.600 0.131 0.000 2.117 682 M HA -0.206 4.271 4.480 -0.006 0.000 0.262 682 M C 2.129 178.472 176.300 0.072 0.000 1.065 682 M CA 1.610 56.950 55.300 0.066 0.000 1.114 682 M CB -0.262 32.370 32.600 0.054 0.000 1.361 682 M HN 0.271 nan 8.290 nan 0.000 0.408 683 L N 0.688 121.957 121.223 0.076 0.000 2.217 683 L HA -0.077 4.260 4.340 -0.006 0.000 0.211 683 L C 1.364 178.278 176.870 0.072 0.000 1.107 683 L CA 1.588 56.481 54.840 0.090 0.000 0.783 683 L CB -0.564 41.560 42.059 0.109 0.000 0.919 683 L HN 0.337 nan 8.230 nan 0.000 0.442 684 N N -0.242 118.489 118.700 0.053 0.000 2.235 684 N HA 0.165 4.901 4.740 -0.006 0.000 0.209 684 N C 0.833 176.374 175.510 0.052 0.000 1.122 684 N CA 0.797 53.873 53.050 0.043 0.000 0.845 684 N CB 0.583 39.074 38.487 0.006 0.000 1.004 684 N HN 0.407 nan 8.380 nan 0.000 0.499 685 G N 0.567 109.401 108.800 0.056 0.000 2.140 685 G HA2 -0.186 3.771 3.960 -0.006 0.000 0.211 685 G HA3 -0.186 3.771 3.960 -0.006 0.000 0.211 685 G C -0.033 174.919 174.900 0.087 0.000 1.013 685 G CA 0.073 45.202 45.100 0.050 0.000 0.705 685 G HN 0.504 nan 8.290 nan 0.000 0.508 686 A N -0.248 122.634 122.820 0.104 0.000 2.312 686 A HA 0.866 5.182 4.320 -0.006 0.000 0.328 686 A C 0.098 177.661 177.584 -0.034 0.000 1.158 686 A CA -0.600 51.511 52.037 0.124 0.000 0.821 686 A CB 1.109 20.254 19.000 0.242 0.000 1.170 686 A HN 0.711 nan 8.150 nan 0.000 0.490 687 L N 1.025 122.186 121.223 -0.104 0.000 2.418 687 L HA 0.476 4.813 4.340 -0.006 0.000 0.265 687 L C 0.640 177.379 176.870 -0.218 0.000 1.143 687 L CA 0.624 55.306 54.840 -0.264 0.000 0.809 687 L CB 1.271 43.101 42.059 -0.381 0.000 1.124 687 L HN 0.728 nan 8.230 nan 0.000 0.456 688 T N 3.811 118.141 114.554 -0.373 0.000 2.770 688 T HA 0.480 4.827 4.350 -0.006 0.000 0.283 688 T C -0.107 174.576 174.700 -0.028 0.000 0.988 688 T CA -0.213 61.719 62.100 -0.281 0.000 0.957 688 T CB 0.881 69.511 68.868 -0.396 0.000 0.930 688 T HN 0.423 nan 8.240 nan 0.000 0.443 689 I N 3.302 123.901 120.570 0.048 0.000 2.304 689 I HA 0.675 4.842 4.170 -0.006 0.000 0.291 689 I C 0.207 176.522 176.117 0.330 0.000 1.018 689 I CA 0.189 61.623 61.300 0.225 0.000 1.260 689 I CB 0.074 38.119 38.000 0.074 0.000 1.390 689 I HN 0.768 nan 8.210 nan 0.000 0.475 690 G N 4.086 113.147 108.800 0.436 0.000 2.677 690 G HA2 0.477 4.434 3.960 -0.006 0.000 0.291 690 G HA3 0.477 4.434 3.960 -0.006 0.000 0.291 690 G C -0.859 173.901 174.900 -0.233 0.000 1.435 690 G CA -0.438 44.774 45.100 0.186 0.000 0.826 690 G HN 0.575 nan 8.290 nan 0.000 0.491 691 T N -1.985 112.311 114.554 -0.431 0.000 2.847 691 T HA 0.511 4.857 4.350 -0.006 0.000 0.279 691 T C 0.523 175.081 174.700 -0.237 0.000 0.984 691 T CA -0.531 61.259 62.100 -0.517 0.000 0.988 691 T CB 1.328 69.922 68.868 -0.457 0.000 1.040 691 T HN 0.288 nan 8.240 nan 0.000 0.528 692 M N 2.700 122.181 119.600 -0.199 0.000 3.436 692 M HA 0.378 4.854 4.480 -0.006 0.000 0.240 692 M C -0.883 175.357 176.300 -0.100 0.000 1.469 692 M CA -0.477 54.747 55.300 -0.127 0.000 1.622 692 M CB -1.703 30.835 32.600 -0.104 0.000 1.098 692 M HN 0.693 nan 8.290 nan 0.000 0.568 693 D N 0.967 121.313 120.400 -0.090 0.000 2.819 693 D HA 0.696 5.332 4.640 -0.006 0.000 0.232 693 D C 0.588 176.864 176.300 -0.041 0.000 1.160 693 D CA 0.843 54.809 54.000 -0.057 0.000 0.858 693 D CB 1.439 42.207 40.800 -0.054 0.000 1.610 693 D HN 0.559 nan 8.370 nan 0.000 0.481 694 G N 2.147 110.935 108.800 -0.020 0.000 2.634 694 G HA2 -0.254 3.703 3.960 -0.006 0.000 0.309 694 G HA3 -0.254 3.703 3.960 -0.006 0.000 0.309 694 G C 1.055 175.952 174.900 -0.004 0.000 1.265 694 G CA 1.094 46.190 45.100 -0.007 0.000 0.998 694 G HN 1.106 nan 8.290 nan 0.000 0.551 695 A N -0.225 122.593 122.820 -0.005 0.000 2.167 695 A HA 0.123 4.439 4.320 -0.006 0.000 0.214 695 A C 2.092 179.619 177.584 -0.094 0.000 1.151 695 A CA 1.809 53.846 52.037 -0.000 0.000 0.735 695 A CB -0.446 18.567 19.000 0.022 0.000 0.802 695 A HN 0.638 nan 8.150 nan 0.000 0.467 696 N N 0.689 119.330 118.700 -0.098 0.000 2.137 696 N HA -0.162 4.574 4.740 -0.006 0.000 0.190 696 N C 1.600 176.978 175.510 -0.219 0.000 1.017 696 N CA 1.631 54.601 53.050 -0.132 0.000 0.859 696 N CB -0.727 37.722 38.487 -0.064 0.000 1.002 696 N HN 0.292 nan 8.380 nan 0.000 0.428 697 V N 1.233 121.064 119.914 -0.138 0.000 2.255 697 V HA -0.240 3.877 4.120 -0.006 0.000 0.247 697 V C 2.020 178.038 176.094 -0.128 0.000 1.051 697 V CA 1.813 64.034 62.300 -0.131 0.000 1.018 697 V CB -0.554 31.228 31.823 -0.069 0.000 0.641 697 V HN 0.345 nan 8.190 nan 0.000 0.445 698 E N -0.689 119.492 120.200 -0.032 0.000 2.152 698 E HA -0.122 4.225 4.350 -0.006 0.000 0.192 698 E C 2.225 178.920 176.600 0.158 0.000 0.983 698 E CA 1.003 57.462 56.400 0.098 0.000 0.818 698 E CB -0.192 29.655 29.700 0.246 0.000 0.758 698 E HN 0.539 nan 8.360 nan 0.000 0.467 699 M N 0.422 119.968 119.600 -0.089 0.000 2.086 699 M HA -0.170 4.307 4.480 -0.006 0.000 0.261 699 M C 2.481 178.414 176.300 -0.611 0.000 1.067 699 M CA 1.573 56.683 55.300 -0.316 0.000 1.116 699 M CB -0.229 32.095 32.600 -0.460 0.000 1.348 699 M HN 0.145 nan 8.290 nan 0.000 0.407 700 A N -0.318 121.903 122.820 -0.999 0.000 1.972 700 A HA -0.209 4.107 4.320 -0.006 0.000 0.219 700 A C 1.984 179.352 177.584 -0.359 0.000 1.169 700 A CA 1.914 53.361 52.037 -0.982 0.000 0.635 700 A CB -0.731 17.844 19.000 -0.709 0.000 0.810 700 A HN 0.595 nan 8.150 nan 0.000 0.446 701 E N -0.515 119.560 120.200 -0.208 0.000 2.112 701 E HA -0.152 4.194 4.350 -0.006 0.000 0.190 701 E C 1.717 178.301 176.600 -0.026 0.000 0.979 701 E CA 0.884 57.233 56.400 -0.085 0.000 0.814 701 E CB -0.010 29.661 29.700 -0.048 0.000 0.762 701 E HN 0.565 nan 8.360 nan 0.000 0.460 702 E N 0.131 120.349 120.200 0.029 0.000 2.072 702 E HA -0.105 4.242 4.350 -0.006 0.000 0.190 702 E C 1.804 178.452 176.600 0.080 0.000 0.982 702 E CA 1.035 57.484 56.400 0.082 0.000 0.803 702 E CB -0.048 29.773 29.700 0.202 0.000 0.755 702 E HN 0.307 nan 8.360 nan 0.000 0.453 703 A N 0.607 123.484 122.820 0.095 0.000 2.132 703 A HA 0.337 4.653 4.320 -0.006 0.000 0.213 703 A C 1.067 178.700 177.584 0.082 0.000 1.154 703 A CA 0.975 53.093 52.037 0.137 0.000 0.753 703 A CB -0.079 19.108 19.000 0.310 0.000 0.826 703 A HN 0.239 nan 8.150 nan 0.000 0.469 704 G N -0.402 108.413 108.800 0.025 0.000 2.879 704 G HA2 -0.142 3.815 3.960 -0.006 0.000 0.686 704 G HA3 -0.142 3.815 3.960 -0.006 0.000 0.686 704 G C -0.005 174.900 174.900 0.009 0.000 1.115 704 G CA -0.010 45.091 45.100 0.002 0.000 0.770 704 G HN 0.320 nan 8.290 nan 0.000 0.601 705 E N 0.941 121.126 120.200 -0.025 0.000 2.401 705 E HA -0.120 4.226 4.350 -0.006 0.000 0.199 705 E C 1.862 178.456 176.600 -0.011 0.000 1.023 705 E CA 1.551 57.941 56.400 -0.016 0.000 0.859 705 E CB 0.101 29.779 29.700 -0.035 0.000 0.780 705 E HN 0.763 nan 8.360 nan 0.000 0.523 706 E N 0.267 120.449 120.200 -0.031 0.000 2.481 706 E HA -0.013 4.333 4.350 -0.006 0.000 0.195 706 E C 0.886 177.401 176.600 -0.142 0.000 1.047 706 E CA 0.369 56.721 56.400 -0.079 0.000 0.867 706 E CB 0.119 29.784 29.700 -0.058 0.000 0.858 706 E HN 0.100 nan 8.360 nan 0.000 0.513 707 N N -0.271 118.380 118.700 -0.082 0.000 2.214 707 N HA 0.152 4.888 4.740 -0.006 0.000 0.214 707 N C -0.986 174.411 175.510 -0.189 0.000 1.132 707 N CA 0.058 53.024 53.050 -0.140 0.000 0.856 707 N CB 0.515 38.979 38.487 -0.037 0.000 1.020 707 N HN 0.055 nan 8.380 nan 0.000 0.509 708 F N -0.306 119.454 119.950 -0.316 0.000 2.540 708 F HA 0.385 4.909 4.527 -0.006 0.000 0.317 708 F C -0.343 175.274 175.800 -0.305 0.000 1.104 708 F CA -0.977 56.885 58.000 -0.231 0.000 0.913 708 F CB 1.262 40.199 39.000 -0.104 0.000 1.170 708 F HN -0.196 nan 8.300 nan 0.000 0.450 709 F N 5.107 125.096 119.950 0.066 0.000 2.606 709 F HA 0.354 4.877 4.527 -0.007 0.000 0.347 709 F C 0.258 176.200 175.800 0.236 0.000 1.207 709 F CA -0.286 57.776 58.000 0.103 0.000 1.306 709 F CB -0.486 38.526 39.000 0.020 0.000 1.657 709 F HN 0.122 nan 8.300 nan 0.000 0.606 710 I N 2.507 123.268 120.570 0.318 0.000 2.575 710 I HA 0.204 4.370 4.170 -0.006 0.000 0.285 710 I C -0.063 176.234 176.117 0.300 0.000 1.085 710 I CA -0.109 61.338 61.300 0.244 0.000 1.403 710 I CB 0.583 38.644 38.000 0.102 0.000 1.409 710 I HN 0.293 nan 8.210 nan 0.000 0.557 711 F N 3.362 123.370 119.950 0.097 0.000 2.711 711 F HA 0.858 5.382 4.527 -0.005 0.000 0.313 711 F C -0.046 175.789 175.800 0.057 0.000 1.141 711 F CA -0.357 57.693 58.000 0.084 0.000 0.941 711 F CB 0.807 39.875 39.000 0.113 0.000 1.349 711 F HN 0.778 nan 8.300 nan 0.000 0.464 712 G N 1.102 109.992 108.800 0.150 0.000 2.760 712 G HA2 -0.111 3.846 3.960 -0.006 0.000 0.246 712 G HA3 -0.111 3.846 3.960 -0.006 0.000 0.246 712 G C -0.821 174.058 174.900 -0.035 0.000 1.359 712 G CA -0.553 44.567 45.100 0.033 0.000 0.861 712 G HN 0.973 nan 8.290 nan 0.000 0.541 713 M N 0.947 120.532 119.600 -0.025 0.000 2.249 713 M HA 0.209 4.686 4.480 -0.006 0.000 0.340 713 M C 1.280 177.544 176.300 -0.060 0.000 1.166 713 M CA 0.086 55.375 55.300 -0.019 0.000 1.115 713 M CB 0.321 32.917 32.600 -0.007 0.000 1.606 713 M HN 0.527 nan 8.290 nan 0.000 0.448 714 R N 1.796 122.274 120.500 -0.036 0.000 2.541 714 R HA 0.267 4.603 4.340 -0.006 0.000 0.263 714 R C 1.172 177.452 176.300 -0.034 0.000 1.112 714 R CA -0.539 55.535 56.100 -0.044 0.000 1.170 714 R CB -0.000 30.281 30.300 -0.031 0.000 1.167 714 R HN 0.559 nan 8.270 nan 0.000 0.582 715 V N 1.575 121.469 119.914 -0.034 0.000 2.332 715 V HA -0.276 3.840 4.120 -0.006 0.000 0.248 715 V C 1.913 177.996 176.094 -0.019 0.000 1.055 715 V CA 2.050 64.334 62.300 -0.028 0.000 1.038 715 V CB -0.494 31.311 31.823 -0.029 0.000 0.651 715 V HN 0.633 nan 8.190 nan 0.000 0.450 716 E N 0.344 120.535 120.200 -0.016 0.000 2.058 716 E HA -0.218 4.129 4.350 -0.006 0.000 0.194 716 E C 1.936 178.537 176.600 0.003 0.000 0.997 716 E CA 1.638 58.034 56.400 -0.007 0.000 0.801 716 E CB -0.446 29.250 29.700 -0.006 0.000 0.746 716 E HN 0.636 nan 8.360 nan 0.000 0.450 717 D N -0.029 120.374 120.400 0.006 0.000 2.219 717 D HA -0.098 4.538 4.640 -0.006 0.000 0.205 717 D C 1.941 178.254 176.300 0.021 0.000 0.970 717 D CA 0.736 54.750 54.000 0.023 0.000 0.851 717 D CB -0.042 40.775 40.800 0.029 0.000 0.943 717 D HN 0.074 nan 8.370 nan 0.000 0.488 718 V N 1.863 121.776 119.914 -0.002 0.000 2.307 718 V HA -0.197 3.920 4.120 -0.006 0.000 0.245 718 V C 1.984 178.073 176.094 -0.008 0.000 1.045 718 V CA 1.635 63.924 62.300 -0.018 0.000 1.024 718 V CB -0.355 31.449 31.823 -0.032 0.000 0.651 718 V HN 0.027 nan 8.190 nan 0.000 0.449 719 D N -0.056 120.341 120.400 -0.004 0.000 2.104 719 D HA -0.170 4.466 4.640 -0.006 0.000 0.194 719 D C 2.357 178.668 176.300 0.017 0.000 0.994 719 D CA 1.222 55.223 54.000 0.001 0.000 0.830 719 D CB -0.315 40.483 40.800 -0.004 0.000 0.959 719 D HN 0.317 nan 8.370 nan 0.000 0.452 720 R N 0.068 120.583 120.500 0.025 0.000 2.103 720 R HA -0.089 4.248 4.340 -0.006 0.000 0.242 720 R C 2.505 178.841 176.300 0.061 0.000 1.142 720 R CA 0.744 56.867 56.100 0.040 0.000 0.960 720 R CB -0.304 30.022 30.300 0.044 0.000 0.858 720 R HN 0.234 nan 8.270 nan 0.000 0.439 721 L N 0.116 121.383 121.223 0.073 0.000 2.109 721 L HA -0.164 4.173 4.340 -0.006 0.000 0.207 721 L C 1.710 178.643 176.870 0.104 0.000 1.086 721 L CA 1.013 55.924 54.840 0.118 0.000 0.760 721 L CB -0.308 41.837 42.059 0.143 0.000 0.910 721 L HN 0.161 nan 8.230 nan 0.000 0.437 722 D N -0.189 120.244 120.400 0.054 0.000 2.117 722 D HA -0.195 4.441 4.640 -0.006 0.000 0.197 722 D C 2.251 178.577 176.300 0.044 0.000 0.987 722 D CA 1.162 55.186 54.000 0.041 0.000 0.829 722 D CB -0.051 40.753 40.800 0.007 0.000 0.961 722 D HN 0.349 nan 8.370 nan 0.000 0.460 723 Q N -0.279 119.544 119.800 0.037 0.000 2.167 723 Q HA -0.038 4.299 4.340 -0.006 0.000 0.202 723 Q C 2.127 178.151 176.000 0.040 0.000 0.970 723 Q CA 0.740 56.562 55.803 0.032 0.000 0.855 723 Q CB 0.173 28.925 28.738 0.025 0.000 0.911 723 Q HN 0.096 nan 8.270 nan 0.000 0.438 724 R N -0.059 120.473 120.500 0.054 0.000 2.223 724 R HA 0.079 4.416 4.340 -0.006 0.000 0.198 724 R C -0.280 176.060 176.300 0.067 0.000 0.984 724 R CA 0.890 57.024 56.100 0.057 0.000 1.018 724 R CB 0.504 30.842 30.300 0.064 0.000 0.945 724 R HN 0.251 nan 8.270 nan 0.000 0.479 725 G N 0.927 109.780 108.800 0.088 0.000 3.190 725 G HA2 -0.292 3.665 3.960 -0.006 0.000 0.686 725 G HA3 -0.292 3.665 3.960 -0.006 0.000 0.686 725 G C -1.395 173.602 174.900 0.162 0.000 1.033 725 G CA -0.321 44.841 45.100 0.103 0.000 0.797 725 G HN 0.311 nan 8.290 nan 0.000 0.567 726 Y N 3.500 123.828 120.300 0.047 0.000 2.425 726 Y HA 0.625 5.171 4.550 -0.006 0.000 0.347 726 Y C 0.090 176.037 175.900 0.078 0.000 0.976 726 Y CA -1.558 56.586 58.100 0.074 0.000 1.190 726 Y CB 1.075 39.562 38.460 0.045 0.000 1.136 726 Y HN 0.549 nan 8.280 nan 0.000 0.517 727 N N 4.697 123.215 118.700 -0.304 0.000 2.501 727 N HA 0.328 5.065 4.740 -0.006 0.000 0.245 727 N C 0.157 175.429 175.510 -0.396 0.000 0.974 727 N CA 0.260 53.118 53.050 -0.320 0.000 0.941 727 N CB 1.518 39.943 38.487 -0.104 0.000 1.122 727 N HN 0.829 nan 8.380 nan 0.000 0.507 728 A N 2.998 125.474 122.820 -0.574 0.000 2.169 728 A HA -0.031 4.286 4.320 -0.006 0.000 0.212 728 A C 1.751 179.453 177.584 0.197 0.000 1.153 728 A CA 0.604 52.524 52.037 -0.195 0.000 0.756 728 A CB -0.069 18.679 19.000 -0.419 0.000 0.813 728 A HN 0.659 nan 8.150 nan 0.000 0.471 729 Q N 0.239 120.050 119.800 0.019 0.000 2.172 729 Q HA -0.151 4.185 4.340 -0.006 0.000 0.200 729 Q C 1.580 177.669 176.000 0.148 0.000 0.964 729 Q CA 1.385 57.236 55.803 0.081 0.000 0.855 729 Q CB -0.096 28.638 28.738 -0.007 0.000 0.918 729 Q HN 0.819 nan 8.270 nan 0.000 0.444 730 E N -0.704 119.535 120.200 0.066 0.000 2.058 730 E HA -0.215 4.131 4.350 -0.006 0.000 0.194 730 E C 1.837 178.413 176.600 -0.040 0.000 0.997 730 E CA 1.386 57.764 56.400 -0.037 0.000 0.801 730 E CB -0.242 29.346 29.700 -0.187 0.000 0.746 730 E HN 0.427 nan 8.360 nan 0.000 0.450 731 Y N -0.462 119.904 120.300 0.111 0.000 2.163 731 Y HA -0.254 4.293 4.550 -0.006 0.000 0.288 731 Y C 2.283 178.187 175.900 0.008 0.000 1.136 731 Y CA 1.514 59.668 58.100 0.090 0.000 1.147 731 Y CB -0.681 37.886 38.460 0.179 0.000 0.987 731 Y HN 0.121 nan 8.280 nan 0.000 0.509 732 Y N 1.531 121.890 120.300 0.100 0.000 2.040 732 Y HA -0.351 4.196 4.550 -0.005 0.000 0.275 732 Y C 1.978 177.863 175.900 -0.025 0.000 1.171 732 Y CA 2.140 60.227 58.100 -0.020 0.000 1.123 732 Y CB -0.432 38.064 38.460 0.061 0.000 0.963 732 Y HN 0.114 nan 8.280 nan 0.000 0.493 733 D N -0.555 119.922 120.400 0.128 0.000 2.350 733 D HA -0.116 4.520 4.640 -0.006 0.000 0.216 733 D C 1.949 178.219 176.300 -0.051 0.000 0.968 733 D CA 1.041 55.059 54.000 0.029 0.000 0.894 733 D CB -0.214 40.638 40.800 0.087 0.000 0.909 733 D HN 0.437 nan 8.370 nan 0.000 0.520 734 R N -0.195 120.272 120.500 -0.055 0.000 2.316 734 R HA 0.229 4.565 4.340 -0.006 0.000 0.201 734 R C 0.130 176.399 176.300 -0.051 0.000 0.888 734 R CA 0.099 56.168 56.100 -0.051 0.000 1.041 734 R CB 0.666 30.933 30.300 -0.055 0.000 1.115 734 R HN 0.006 nan 8.270 nan 0.000 0.559 735 I N 1.992 122.513 120.570 -0.082 0.000 2.464 735 I HA 0.303 4.470 4.170 -0.006 0.000 0.277 735 I C -2.066 173.959 176.117 -0.152 0.000 1.040 735 I CA -2.404 58.856 61.300 -0.067 0.000 1.153 735 I CB 2.104 40.101 38.000 -0.006 0.000 1.274 735 I HN -0.148 nan 8.210 nan 0.000 0.469 736 P HA -0.163 nan 4.420 nan 0.000 0.216 736 P C 1.166 178.384 177.300 -0.136 0.000 1.150 736 P CA 1.406 64.422 63.100 -0.140 0.000 0.837 736 P CB 0.316 31.964 31.700 -0.087 0.000 0.786 737 E N -0.777 119.379 120.200 -0.074 0.000 2.106 737 E HA -0.129 4.217 4.350 -0.006 0.000 0.192 737 E C 1.984 178.513 176.600 -0.118 0.000 0.984 737 E CA 0.575 56.951 56.400 -0.040 0.000 0.806 737 E CB -0.594 29.147 29.700 0.068 0.000 0.750 737 E HN 0.212 nan 8.360 nan 0.000 0.458 738 L N 0.898 121.968 121.223 -0.256 0.000 2.056 738 L HA -0.153 4.184 4.340 -0.006 0.000 0.207 738 L C 2.575 179.207 176.870 -0.398 0.000 1.078 738 L CA 1.208 55.717 54.840 -0.552 0.000 0.749 738 L CB -0.035 41.538 42.059 -0.811 0.000 0.901 738 L HN -0.028 nan 8.230 nan 0.000 0.433 739 R N -0.622 119.634 120.500 -0.408 0.000 2.091 739 R HA -0.239 4.097 4.340 -0.006 0.000 0.238 739 R C 2.421 178.600 176.300 -0.201 0.000 1.136 739 R CA 2.068 57.871 56.100 -0.495 0.000 0.959 739 R CB -0.310 29.635 30.300 -0.592 0.000 0.856 739 R HN 0.537 nan 8.270 nan 0.000 0.437 740 Q N 0.406 120.111 119.800 -0.158 0.000 2.084 740 Q HA -0.183 4.154 4.340 -0.006 0.000 0.202 740 Q C 2.006 177.983 176.000 -0.039 0.000 0.978 740 Q CA 1.668 57.416 55.803 -0.093 0.000 0.844 740 Q CB -0.035 28.645 28.738 -0.096 0.000 0.898 740 Q HN 0.405 nan 8.270 nan 0.000 0.426 741 I N 0.175 120.729 120.570 -0.027 0.000 2.252 741 I HA -0.270 3.896 4.170 -0.006 0.000 0.245 741 I C 2.103 178.286 176.117 0.110 0.000 1.102 741 I CA 0.871 62.204 61.300 0.055 0.000 1.385 741 I CB -0.161 37.847 38.000 0.013 0.000 1.064 741 I HN 0.209 nan 8.210 nan 0.000 0.414 742 I N 0.548 121.178 120.570 0.100 0.000 2.394 742 I HA -0.226 3.941 4.170 -0.006 0.000 0.251 742 I C 2.304 178.543 176.117 0.203 0.000 1.136 742 I CA 1.359 62.775 61.300 0.194 0.000 1.425 742 I CB -0.339 37.850 38.000 0.315 0.000 1.079 742 I HN 0.212 nan 8.210 nan 0.000 0.425 743 E N 0.348 120.650 120.200 0.170 0.000 2.107 743 E HA -0.208 4.138 4.350 -0.006 0.000 0.191 743 E C 2.196 178.874 176.600 0.131 0.000 0.982 743 E CA 0.765 57.250 56.400 0.142 0.000 0.809 743 E CB -0.037 29.720 29.700 0.095 0.000 0.756 743 E HN 0.511 nan 8.360 nan 0.000 0.459 744 Q N 0.633 120.502 119.800 0.115 0.000 2.030 744 Q HA -0.184 4.153 4.340 -0.006 0.000 0.204 744 Q C 2.355 178.566 176.000 0.352 0.000 0.986 744 Q CA 1.288 57.188 55.803 0.162 0.000 0.843 744 Q CB -0.163 28.651 28.738 0.128 0.000 0.904 744 Q HN 0.280 nan 8.270 nan 0.000 0.420 745 L N -0.122 121.327 121.223 0.377 0.000 1.990 745 L HA -0.261 4.076 4.340 -0.006 0.000 0.213 745 L C 2.683 179.755 176.870 0.336 0.000 1.072 745 L CA 1.425 56.493 54.840 0.379 0.000 0.755 745 L CB -0.613 41.581 42.059 0.225 0.000 0.889 745 L HN 0.238 nan 8.230 nan 0.000 0.432 746 S N -0.659 115.188 115.700 0.245 0.000 2.368 746 S HA -0.172 4.295 4.470 -0.006 0.000 0.224 746 S C 2.238 176.940 174.600 0.170 0.000 1.029 746 S CA 1.505 59.822 58.200 0.196 0.000 0.988 746 S CB -0.227 63.066 63.200 0.155 0.000 0.838 746 S HN 0.575 nan 8.310 nan 0.000 0.462 747 S N -0.205 115.593 115.700 0.164 0.000 2.428 747 S HA 0.257 4.723 4.470 -0.006 0.000 0.230 747 S C 1.527 176.207 174.600 0.133 0.000 1.014 747 S CA 1.320 59.599 58.200 0.131 0.000 0.957 747 S CB -0.392 62.878 63.200 0.117 0.000 0.784 747 S HN 1.417 nan 8.310 nan 0.000 0.499 748 G N 0.030 108.939 108.800 0.181 0.000 2.164 748 G HA2 -0.211 3.746 3.960 -0.006 0.000 0.154 748 G HA3 -0.211 3.746 3.960 -0.006 0.000 0.154 748 G C 0.226 175.209 174.900 0.137 0.000 1.014 748 G CA 0.101 45.293 45.100 0.153 0.000 0.683 748 G HN 0.478 nan 8.290 nan 0.000 0.500 749 F N 0.702 120.649 119.950 -0.006 0.000 2.202 749 F HA 0.170 4.694 4.527 -0.006 0.000 0.301 749 F C 1.673 177.277 175.800 -0.326 0.000 1.082 749 F CA 1.779 59.657 58.000 -0.204 0.000 1.313 749 F CB -0.037 38.760 39.000 -0.338 0.000 1.024 749 F HN 0.152 nan 8.300 nan 0.000 0.495 750 F N -0.266 119.772 119.950 0.146 0.000 2.641 750 F HA 0.222 4.745 4.527 -0.006 0.000 0.302 750 F C 0.614 176.498 175.800 0.140 0.000 1.098 750 F CA 0.222 58.271 58.000 0.082 0.000 1.318 750 F CB -0.178 38.920 39.000 0.163 0.000 1.035 750 F HN -0.001 nan 8.300 nan 0.000 0.551 751 S N -2.093 113.708 115.700 0.168 0.000 2.680 751 S HA 0.289 4.755 4.470 -0.006 0.000 0.153 751 S C -2.505 172.082 174.600 -0.022 0.000 1.224 751 S CA -0.887 57.335 58.200 0.036 0.000 1.197 751 S CB 0.655 63.802 63.200 -0.087 0.000 1.634 751 S HN -0.161 nan 8.310 nan 0.000 0.422 752 P HA -0.039 nan 4.420 nan 0.000 0.215 752 P C 1.233 178.508 177.300 -0.042 0.000 1.153 752 P CA 1.161 64.223 63.100 -0.064 0.000 0.853 752 P CB 0.110 31.747 31.700 -0.106 0.000 0.788 753 K N -0.676 119.698 120.400 -0.044 0.000 2.288 753 K HA -0.065 4.252 4.320 -0.006 0.000 0.201 753 K C 0.842 177.428 176.600 -0.024 0.000 1.048 753 K CA 0.827 57.096 56.287 -0.031 0.000 0.956 753 K CB -0.013 32.469 32.500 -0.028 0.000 0.746 753 K HN 0.393 nan 8.250 nan 0.000 0.461 754 Q N -0.998 118.782 119.800 -0.033 0.000 3.090 754 Q HA 0.236 4.573 4.340 -0.006 0.000 0.241 754 Q C -2.716 173.258 176.000 -0.043 0.000 0.958 754 Q CA -1.813 53.969 55.803 -0.035 0.000 0.715 754 Q CB 1.524 30.239 28.738 -0.038 0.000 1.298 754 Q HN -0.157 nan 8.270 nan 0.000 0.468 755 P HA -0.129 nan 4.420 nan 0.000 0.228 755 P C 0.375 177.689 177.300 0.023 0.000 1.151 755 P CA 0.992 64.102 63.100 0.017 0.000 0.770 755 P CB 0.302 32.019 31.700 0.029 0.000 0.786 756 D N -1.690 118.709 120.400 -0.001 0.000 2.323 756 D HA -0.043 4.593 4.640 -0.006 0.000 0.209 756 D C 1.650 177.939 176.300 -0.019 0.000 0.973 756 D CA 0.130 54.136 54.000 0.011 0.000 0.874 756 D CB -0.531 40.275 40.800 0.010 0.000 0.930 756 D HN -0.123 nan 8.370 nan 0.000 0.521 757 L N -0.141 121.004 121.223 -0.131 0.000 1.997 757 L HA -0.172 4.165 4.340 -0.006 0.000 0.216 757 L C 0.955 177.645 176.870 -0.299 0.000 1.074 757 L CA 1.684 56.335 54.840 -0.315 0.000 0.763 757 L CB -0.510 41.147 42.059 -0.670 0.000 0.890 757 L HN 0.005 nan 8.230 nan 0.000 0.434 758 F N -0.109 119.891 119.950 0.084 0.000 2.798 758 F HA 0.169 4.693 4.527 -0.005 0.000 0.291 758 F C 1.766 177.617 175.800 0.086 0.000 1.174 758 F CA -0.207 57.835 58.000 0.070 0.000 1.392 758 F CB -0.914 38.118 39.000 0.054 0.000 0.966 758 F HN 0.178 nan 8.300 nan 0.000 0.509 759 K N -0.717 119.805 120.400 0.202 0.000 2.097 759 K HA -0.133 4.183 4.320 -0.006 0.000 0.205 759 K C 0.840 177.544 176.600 0.173 0.000 1.050 759 K CA 1.741 58.129 56.287 0.167 0.000 0.938 759 K CB -0.182 32.390 32.500 0.121 0.000 0.718 759 K HN 0.069 nan 8.250 nan 0.000 0.442 760 D N 1.418 121.934 120.400 0.193 0.000 2.149 760 D HA -0.047 4.589 4.640 -0.006 0.000 0.201 760 D C 2.072 178.478 176.300 0.177 0.000 0.972 760 D CA 0.926 55.046 54.000 0.201 0.000 0.835 760 D CB -0.101 40.864 40.800 0.275 0.000 0.966 760 D HN 0.283 nan 8.370 nan 0.000 0.476 761 I N 0.563 121.236 120.570 0.172 0.000 2.179 761 I HA -0.220 3.946 4.170 -0.006 0.000 0.242 761 I C 2.422 178.601 176.117 0.104 0.000 1.088 761 I CA 0.627 61.999 61.300 0.121 0.000 1.357 761 I CB -0.161 37.895 38.000 0.094 0.000 1.051 761 I HN -0.119 nan 8.210 nan 0.000 0.409 762 V N 1.204 121.197 119.914 0.132 0.000 2.261 762 V HA -0.314 3.803 4.120 -0.006 0.000 0.246 762 V C 2.261 178.397 176.094 0.070 0.000 1.047 762 V CA 2.475 64.840 62.300 0.109 0.000 1.015 762 V CB -0.975 30.929 31.823 0.136 0.000 0.642 762 V HN 0.494 nan 8.190 nan 0.000 0.446 763 N N -0.128 118.646 118.700 0.123 0.000 2.149 763 N HA -0.229 4.508 4.740 -0.006 0.000 0.188 763 N C 1.833 177.440 175.510 0.161 0.000 1.019 763 N CA 1.918 55.075 53.050 0.178 0.000 0.857 763 N CB -0.281 38.331 38.487 0.207 0.000 0.997 763 N HN 0.369 nan 8.380 nan 0.000 0.426 764 M N 0.151 119.838 119.600 0.145 0.000 2.099 764 M HA -0.072 4.405 4.480 -0.006 0.000 0.262 764 M C 1.757 178.057 176.300 0.002 0.000 1.067 764 M CA 1.332 56.720 55.300 0.146 0.000 1.124 764 M CB -0.680 32.012 32.600 0.154 0.000 1.353 764 M HN 0.287 nan 8.290 nan 0.000 0.410 765 L N -0.128 121.042 121.223 -0.088 0.000 2.131 765 L HA -0.244 4.093 4.340 -0.006 0.000 0.210 765 L C 2.533 179.060 176.870 -0.572 0.000 1.092 765 L CA 0.928 55.572 54.840 -0.327 0.000 0.759 765 L CB -0.527 41.364 42.059 -0.280 0.000 0.903 765 L HN 0.341 nan 8.230 nan 0.000 0.435 766 M N -1.621 117.721 119.600 -0.430 0.000 2.334 766 M HA -0.071 4.405 4.480 -0.006 0.000 0.266 766 M C 1.393 177.186 176.300 -0.844 0.000 1.082 766 M CA 1.764 56.671 55.300 -0.656 0.000 1.141 766 M CB -0.648 31.494 32.600 -0.764 0.000 1.380 766 M HN 0.321 nan 8.290 nan 0.000 0.440 767 H N -3.032 115.882 119.070 -0.260 0.000 3.771 767 H HA 0.222 4.775 4.556 -0.005 0.000 0.260 767 H C 0.062 175.003 175.328 -0.645 0.000 1.158 767 H CA 0.042 55.821 56.048 -0.448 0.000 1.170 767 H CB 0.783 30.220 29.762 -0.543 0.000 1.539 767 H HN 0.255 nan 8.280 nan 0.000 0.634 768 H N 0.012 119.127 119.070 0.075 0.000 2.907 768 H HA 0.123 4.676 4.556 -0.006 0.000 0.233 768 H C -0.743 174.610 175.328 0.041 0.000 1.285 768 H CA -0.228 55.860 56.048 0.066 0.000 0.981 768 H CB 0.655 30.462 29.762 0.074 0.000 2.255 768 H HN 0.205 nan 8.280 nan 0.000 0.601 769 D N 1.259 121.724 120.400 0.108 0.000 2.411 769 D HA 0.113 4.750 4.640 -0.006 0.000 0.225 769 D C 1.133 177.405 176.300 -0.047 0.000 1.156 769 D CA -0.314 53.727 54.000 0.070 0.000 0.874 769 D CB 0.593 41.423 40.800 0.049 0.000 1.034 769 D HN 0.224 nan 8.370 nan 0.000 0.502 770 R N 2.312 122.646 120.500 -0.276 0.000 2.328 770 R HA -0.025 4.312 4.340 -0.006 0.000 0.207 770 R C 0.466 176.279 176.300 -0.812 0.000 1.056 770 R CA 0.790 56.503 56.100 -0.645 0.000 1.016 770 R CB 0.162 29.850 30.300 -1.020 0.000 0.872 770 R HN 0.388 nan 8.270 nan 0.000 0.471 771 F N 0.013 119.926 119.950 -0.061 0.000 2.729 771 F HA 0.272 4.796 4.527 -0.006 0.000 0.315 771 F C 0.052 175.749 175.800 -0.172 0.000 1.102 771 F CA -0.848 57.107 58.000 -0.075 0.000 1.204 771 F CB 0.289 39.300 39.000 0.019 0.000 1.052 771 F HN -0.259 nan 8.300 nan 0.000 0.551 772 K N -0.092 120.154 120.400 -0.258 0.000 3.156 772 K HA -0.187 4.130 4.320 -0.006 0.000 0.266 772 K C 1.030 177.549 176.600 -0.136 0.000 0.966 772 K CA 0.248 56.215 56.287 -0.533 0.000 0.719 772 K CB -1.806 30.226 32.500 -0.781 0.000 1.333 772 K HN 0.216 nan 8.250 nan 0.000 0.468 773 V N -0.217 119.701 119.914 0.007 0.000 2.324 773 V HA -0.292 3.825 4.120 -0.006 0.000 0.250 773 V C 2.010 178.273 176.094 0.281 0.000 1.060 773 V CA 2.149 64.525 62.300 0.127 0.000 1.042 773 V CB -0.500 31.404 31.823 0.135 0.000 0.650 773 V HN 0.393 nan 8.190 nan 0.000 0.450 774 F N 0.764 120.713 119.950 -0.003 0.000 2.216 774 F HA -0.047 4.477 4.527 -0.005 0.000 0.300 774 F C 2.451 178.004 175.800 -0.412 0.000 1.085 774 F CA 0.736 58.657 58.000 -0.132 0.000 1.326 774 F CB -1.476 37.436 39.000 -0.147 0.000 1.027 774 F HN 0.158 nan 8.300 nan 0.000 0.497 775 A N -0.726 121.927 122.820 -0.278 0.000 2.070 775 A HA -0.149 4.168 4.320 -0.006 0.000 0.220 775 A C 1.537 179.138 177.584 0.028 0.000 1.159 775 A CA 1.896 53.738 52.037 -0.325 0.000 0.656 775 A CB -0.474 18.459 19.000 -0.112 0.000 0.800 775 A HN 0.223 nan 8.150 nan 0.000 0.453 776 D N -3.051 117.412 120.400 0.106 0.000 2.433 776 D HA 0.108 4.745 4.640 -0.006 0.000 0.211 776 D C 1.043 177.509 176.300 0.276 0.000 1.114 776 D CA -0.147 53.981 54.000 0.214 0.000 0.837 776 D CB -0.090 40.839 40.800 0.215 0.000 0.984 776 D HN 0.524 nan 8.370 nan 0.000 0.505 777 Y N 2.120 122.504 120.300 0.140 0.000 2.128 777 Y HA -0.192 4.355 4.550 -0.005 0.000 0.284 777 Y C 1.970 177.948 175.900 0.129 0.000 1.154 777 Y CA 1.874 60.060 58.100 0.144 0.000 1.149 777 Y CB 0.210 38.711 38.460 0.069 0.000 0.976 777 Y HN -0.090 nan 8.280 nan 0.000 0.505 778 E N -0.099 120.165 120.200 0.107 0.000 2.051 778 E HA -0.215 4.131 4.350 -0.006 0.000 0.192 778 E C 2.152 178.721 176.600 -0.053 0.000 0.991 778 E CA 1.459 57.854 56.400 -0.008 0.000 0.799 778 E CB -0.143 29.652 29.700 0.159 0.000 0.748 778 E HN 0.634 nan 8.360 nan 0.000 0.449 779 E N -0.044 120.199 120.200 0.073 0.000 2.106 779 E HA -0.195 4.151 4.350 -0.006 0.000 0.192 779 E C 1.955 178.546 176.600 -0.015 0.000 0.984 779 E CA 0.733 57.198 56.400 0.108 0.000 0.806 779 E CB -0.156 29.703 29.700 0.264 0.000 0.750 779 E HN 0.260 nan 8.360 nan 0.000 0.458 780 Y N 1.779 121.894 120.300 -0.308 0.000 2.114 780 Y HA -0.247 4.300 4.550 -0.004 0.000 0.284 780 Y C 2.330 177.839 175.900 -0.652 0.000 1.143 780 Y CA 1.564 59.181 58.100 -0.806 0.000 1.135 780 Y CB -0.606 37.446 38.460 -0.679 0.000 0.980 780 Y HN -0.057 nan 8.280 nan 0.000 0.499 781 V N -1.215 118.337 119.914 -0.602 0.000 2.358 781 V HA -0.221 3.895 4.120 -0.006 0.000 0.246 781 V C 2.111 177.975 176.094 -0.384 0.000 1.047 781 V CA 2.160 64.115 62.300 -0.574 0.000 1.035 781 V CB -0.810 30.709 31.823 -0.508 0.000 0.658 781 V HN 0.284 nan 8.190 nan 0.000 0.452 782 K N -0.287 119.952 120.400 -0.270 0.000 2.097 782 K HA -0.122 4.194 4.320 -0.006 0.000 0.205 782 K C 2.317 178.831 176.600 -0.143 0.000 1.050 782 K CA 1.667 57.864 56.287 -0.150 0.000 0.938 782 K CB -0.621 31.836 32.500 -0.072 0.000 0.718 782 K HN 0.633 nan 8.250 nan 0.000 0.442 783 C N 1.458 120.641 119.300 -0.194 0.000 2.446 783 C HA -0.010 4.446 4.460 -0.006 0.000 0.279 783 C C 2.511 177.335 174.990 -0.278 0.000 1.366 783 C CA 0.516 59.453 59.018 -0.135 0.000 1.763 783 C CB -0.541 27.144 27.740 -0.091 0.000 1.929 783 C HN 0.385 nan 8.230 nan 0.000 0.509 784 Q N 0.500 119.999 119.800 -0.501 0.000 2.230 784 Q HA -0.094 4.243 4.340 -0.006 0.000 0.202 784 Q C 1.995 177.812 176.000 -0.304 0.000 0.963 784 Q CA 1.230 56.697 55.803 -0.560 0.000 0.866 784 Q CB -0.265 27.875 28.738 -0.996 0.000 0.931 784 Q HN 0.755 nan 8.270 nan 0.000 0.452 785 E N 0.440 120.515 120.200 -0.209 0.000 2.072 785 E HA -0.199 4.148 4.350 -0.006 0.000 0.191 785 E C 2.009 178.578 176.600 -0.050 0.000 0.985 785 E CA 0.853 57.193 56.400 -0.100 0.000 0.801 785 E CB -0.016 29.641 29.700 -0.071 0.000 0.750 785 E HN 0.025 nan 8.360 nan 0.000 0.452 786 R N 0.977 121.459 120.500 -0.030 0.000 2.120 786 R HA -0.111 4.226 4.340 -0.006 0.000 0.234 786 R C 1.967 178.315 176.300 0.081 0.000 1.123 786 R CA 1.009 57.163 56.100 0.091 0.000 0.975 786 R CB -0.609 29.810 30.300 0.198 0.000 0.866 786 R HN 0.012 nan 8.270 nan 0.000 0.446 787 V N 0.062 119.825 119.914 -0.251 0.000 2.261 787 V HA -0.229 3.888 4.120 -0.006 0.000 0.246 787 V C 2.119 178.208 176.094 -0.010 0.000 1.047 787 V CA 2.258 64.285 62.300 -0.455 0.000 1.015 787 V CB -0.595 30.843 31.823 -0.642 0.000 0.642 787 V HN 0.399 nan 8.190 nan 0.000 0.446 788 S N 0.227 115.895 115.700 -0.052 0.000 2.399 788 S HA -0.161 4.306 4.470 -0.006 0.000 0.231 788 S C 2.192 176.858 174.600 0.110 0.000 1.022 788 S CA 1.322 59.524 58.200 0.003 0.000 0.983 788 S CB -0.496 62.677 63.200 -0.045 0.000 0.803 788 S HN 0.650 nan 8.310 nan 0.000 0.480 789 A N 1.358 124.247 122.820 0.114 0.000 1.902 789 A HA -0.048 4.268 4.320 -0.006 0.000 0.217 789 A C 2.120 179.825 177.584 0.203 0.000 1.181 789 A CA 1.340 53.463 52.037 0.143 0.000 0.623 789 A CB -0.695 18.379 19.000 0.123 0.000 0.818 789 A HN 0.415 nan 8.150 nan 0.000 0.443 790 L N -1.983 119.422 121.223 0.304 0.000 2.056 790 L HA -0.100 4.237 4.340 -0.006 0.000 0.207 790 L C 2.279 179.420 176.870 0.453 0.000 1.078 790 L CA 1.973 57.063 54.840 0.416 0.000 0.749 790 L CB -0.773 41.643 42.059 0.595 0.000 0.901 790 L HN 0.506 nan 8.230 nan 0.000 0.433 791 Y N 0.404 120.848 120.300 0.239 0.000 2.274 791 Y HA -0.257 4.289 4.550 -0.006 0.000 0.290 791 Y C 2.295 178.137 175.900 -0.096 0.000 1.145 791 Y CA 1.701 59.687 58.100 -0.189 0.000 1.203 791 Y CB -0.089 38.048 38.460 -0.539 0.000 0.984 791 Y HN 0.166 nan 8.280 nan 0.000 0.533 792 K N 0.167 120.644 120.400 0.128 0.000 2.442 792 K HA -0.201 4.116 4.320 -0.006 0.000 0.199 792 K C 0.182 176.783 176.600 0.002 0.000 1.044 792 K CA 1.082 57.417 56.287 0.080 0.000 0.941 792 K CB -0.393 32.175 32.500 0.113 0.000 0.759 792 K HN 0.324 nan 8.250 nan 0.000 0.472 793 N N 0.360 119.067 118.700 0.011 0.000 2.776 793 N HA 0.116 4.853 4.740 -0.006 0.000 0.245 793 N C -2.346 173.160 175.510 -0.008 0.000 1.121 793 N CA -1.893 51.164 53.050 0.011 0.000 0.852 793 N CB 1.198 39.723 38.487 0.063 0.000 1.142 793 N HN -0.247 nan 8.380 nan 0.000 0.514 794 P HA -0.242 nan 4.420 nan 0.000 0.216 794 P C 1.187 178.488 177.300 0.001 0.000 1.154 794 P CA 1.133 64.153 63.100 -0.133 0.000 0.865 794 P CB 0.219 31.831 31.700 -0.147 0.000 0.789 795 R N -0.062 120.444 120.500 0.011 0.000 2.066 795 R HA -0.132 4.205 4.340 -0.006 0.000 0.232 795 R C 1.886 178.222 176.300 0.059 0.000 1.131 795 R CA 1.370 57.487 56.100 0.029 0.000 0.955 795 R CB -0.335 29.975 30.300 0.017 0.000 0.851 795 R HN 0.066 nan 8.270 nan 0.000 0.432 796 E N -0.135 120.110 120.200 0.076 0.000 2.285 796 E HA -0.194 4.152 4.350 -0.006 0.000 0.194 796 E C 1.525 178.189 176.600 0.107 0.000 0.997 796 E CA 0.438 56.883 56.400 0.076 0.000 0.845 796 E CB -0.337 29.406 29.700 0.071 0.000 0.782 796 E HN 0.519 nan 8.360 nan 0.000 0.491 797 W N 2.097 123.383 121.300 -0.024 0.000 2.379 797 W HA -0.153 4.502 4.660 -0.007 0.000 0.307 797 W C 1.488 177.992 176.519 -0.025 0.000 1.200 797 W CA 1.919 59.256 57.345 -0.014 0.000 1.297 797 W CB -0.325 29.080 29.460 -0.092 0.000 1.140 797 W HN 0.020 nan 8.180 nan 0.000 0.507 798 T N 1.096 115.764 114.554 0.191 0.000 2.821 798 T HA -0.153 4.194 4.350 -0.006 0.000 0.267 798 T C 1.874 176.569 174.700 -0.007 0.000 1.046 798 T CA 1.522 63.669 62.100 0.077 0.000 1.139 798 T CB -0.245 68.653 68.868 0.049 0.000 0.871 798 T HN 0.155 nan 8.240 nan 0.000 0.454 799 R N 0.305 120.808 120.500 0.006 0.000 2.090 799 R HA 0.144 4.481 4.340 -0.006 0.000 0.228 799 R C 2.489 178.771 176.300 -0.030 0.000 1.110 799 R CA 0.989 57.094 56.100 0.009 0.000 0.973 799 R CB -0.289 30.025 30.300 0.022 0.000 0.869 799 R HN 0.370 nan 8.270 nan 0.000 0.440 800 M N 0.503 120.048 119.600 -0.092 0.000 2.175 800 M HA -0.132 4.345 4.480 -0.006 0.000 0.264 800 M C 1.946 178.136 176.300 -0.183 0.000 1.063 800 M CA 1.352 56.558 55.300 -0.157 0.000 1.119 800 M CB 0.165 32.619 32.600 -0.244 0.000 1.377 800 M HN -0.033 nan 8.290 nan 0.000 0.415 801 V N 1.134 120.913 119.914 -0.225 0.000 2.255 801 V HA -0.337 3.779 4.120 -0.006 0.000 0.247 801 V C 2.248 178.309 176.094 -0.055 0.000 1.051 801 V CA 2.222 64.421 62.300 -0.168 0.000 1.018 801 V CB -0.660 31.086 31.823 -0.127 0.000 0.641 801 V HN 0.516 nan 8.190 nan 0.000 0.445 802 I N -0.544 120.021 120.570 -0.008 0.000 2.194 802 I HA -0.327 3.840 4.170 -0.006 0.000 0.246 802 I C 2.698 178.866 176.117 0.084 0.000 1.093 802 I CA 1.823 63.178 61.300 0.092 0.000 1.355 802 I CB -0.427 37.683 38.000 0.184 0.000 1.046 802 I HN 0.212 nan 8.210 nan 0.000 0.413 803 R N 0.432 120.956 120.500 0.039 0.000 2.152 803 R HA -0.114 4.223 4.340 -0.006 0.000 0.232 803 R C 2.090 178.421 176.300 0.052 0.000 1.117 803 R CA 1.139 57.262 56.100 0.039 0.000 0.981 803 R CB -0.307 30.000 30.300 0.012 0.000 0.870 803 R HN 0.493 nan 8.270 nan 0.000 0.451 804 N N 0.379 119.094 118.700 0.025 0.000 2.148 804 N HA -0.065 4.671 4.740 -0.006 0.000 0.186 804 N C 1.878 177.440 175.510 0.086 0.000 1.031 804 N CA 1.113 54.196 53.050 0.054 0.000 0.848 804 N CB 0.021 38.484 38.487 -0.040 0.000 1.005 804 N HN 0.129 nan 8.380 nan 0.000 0.427 805 I N 1.732 122.342 120.570 0.067 0.000 2.163 805 I HA -0.253 3.914 4.170 -0.006 0.000 0.243 805 I C 2.453 178.626 176.117 0.094 0.000 1.085 805 I CA 1.029 62.379 61.300 0.083 0.000 1.347 805 I CB -0.341 37.706 38.000 0.079 0.000 1.044 805 I HN 0.075 nan 8.210 nan 0.000 0.408 806 A N 0.213 123.089 122.820 0.092 0.000 2.019 806 A HA -0.182 4.135 4.320 -0.006 0.000 0.219 806 A C 2.018 179.649 177.584 0.079 0.000 1.164 806 A CA 2.158 54.240 52.037 0.076 0.000 0.644 806 A CB -0.889 18.156 19.000 0.075 0.000 0.805 806 A HN 0.549 nan 8.150 nan 0.000 0.449 807 T N -3.092 111.527 114.554 0.108 0.000 3.228 807 T HA 0.234 4.581 4.350 -0.006 0.000 0.278 807 T C 1.038 175.864 174.700 0.211 0.000 1.014 807 T CA 0.570 62.747 62.100 0.128 0.000 0.904 807 T CB -0.147 68.796 68.868 0.126 0.000 1.110 807 T HN 0.474 nan 8.240 nan 0.000 0.541 808 S N 0.049 115.881 115.700 0.220 0.000 2.558 808 S HA 0.226 4.693 4.470 -0.006 0.000 0.217 808 S C 2.248 177.025 174.600 0.295 0.000 0.975 808 S CA 0.347 58.755 58.200 0.346 0.000 0.912 808 S CB -0.682 62.665 63.200 0.246 0.000 0.776 808 S HN 0.535 nan 8.310 nan 0.000 0.526 809 G N 2.855 111.737 108.800 0.137 0.000 2.505 809 G HA2 -0.335 3.622 3.960 -0.006 0.000 0.220 809 G HA3 -0.335 3.622 3.960 -0.006 0.000 0.220 809 G C 1.328 176.195 174.900 -0.054 0.000 1.145 809 G CA 1.165 46.298 45.100 0.055 0.000 0.761 809 G HN 0.644 nan 8.290 nan 0.000 0.571 810 K N -0.205 120.045 120.400 -0.249 0.000 2.280 810 K HA -0.019 4.298 4.320 -0.006 0.000 0.202 810 K C 1.084 177.318 176.600 -0.611 0.000 1.047 810 K CA 0.724 56.691 56.287 -0.532 0.000 0.942 810 K CB -0.240 31.759 32.500 -0.834 0.000 0.739 810 K HN 0.364 nan 8.250 nan 0.000 0.457 811 F N 0.928 120.912 119.950 0.058 0.000 2.645 811 F HA 0.205 4.728 4.527 -0.006 0.000 0.300 811 F C 0.706 176.556 175.800 0.083 0.000 1.115 811 F CA -0.468 57.572 58.000 0.067 0.000 1.355 811 F CB 0.191 39.228 39.000 0.062 0.000 1.026 811 F HN -0.130 nan 8.300 nan 0.000 0.536 812 S N 0.224 116.006 115.700 0.136 0.000 2.548 812 S HA 0.116 4.583 4.470 -0.006 0.000 0.277 812 S C 1.461 176.141 174.600 0.134 0.000 1.315 812 S CA -0.094 58.185 58.200 0.131 0.000 1.050 812 S CB 0.775 64.025 63.200 0.084 0.000 0.918 812 S HN 0.350 nan 8.310 nan 0.000 0.497 813 S N 3.291 119.098 115.700 0.177 0.000 2.481 813 S HA -0.071 4.396 4.470 -0.006 0.000 0.231 813 S C 1.000 175.669 174.600 0.116 0.000 0.996 813 S CA 0.607 58.939 58.200 0.219 0.000 0.942 813 S CB -0.336 63.061 63.200 0.328 0.000 0.768 813 S HN 0.793 nan 8.310 nan 0.000 0.520 814 D N 1.985 122.433 120.400 0.080 0.000 2.117 814 D HA -0.106 4.531 4.640 -0.006 0.000 0.197 814 D C 2.106 178.415 176.300 0.016 0.000 0.987 814 D CA 0.859 54.883 54.000 0.039 0.000 0.829 814 D CB -0.332 40.487 40.800 0.032 0.000 0.961 814 D HN 0.292 nan 8.370 nan 0.000 0.460 815 R N 0.778 121.286 120.500 0.014 0.000 2.073 815 R HA -0.099 4.238 4.340 -0.006 0.000 0.234 815 R C 2.001 178.287 176.300 -0.023 0.000 1.134 815 R CA 1.504 57.594 56.100 -0.018 0.000 0.952 815 R CB -0.783 29.489 30.300 -0.045 0.000 0.850 815 R HN 0.139 nan 8.270 nan 0.000 0.433 816 T N 2.190 116.757 114.554 0.022 0.000 2.665 816 T HA -0.147 4.199 4.350 -0.006 0.000 0.268 816 T C 1.938 176.635 174.700 -0.005 0.000 1.035 816 T CA 1.429 63.560 62.100 0.051 0.000 1.151 816 T CB -0.154 68.855 68.868 0.235 0.000 0.862 816 T HN 0.109 nan 8.240 nan 0.000 0.438 817 I N 1.688 122.198 120.570 -0.101 0.000 2.226 817 I HA -0.092 4.075 4.170 -0.006 0.000 0.245 817 I C 2.930 178.991 176.117 -0.093 0.000 1.100 817 I CA 0.959 62.153 61.300 -0.177 0.000 1.374 817 I CB -1.651 36.260 38.000 -0.149 0.000 1.057 817 I HN 0.206 nan 8.210 nan 0.000 0.413 818 A N 0.129 122.917 122.820 -0.053 0.000 1.940 818 A HA -0.244 4.073 4.320 -0.006 0.000 0.219 818 A C 2.252 179.784 177.584 -0.087 0.000 1.176 818 A CA 1.507 53.520 52.037 -0.041 0.000 0.631 818 A CB -0.566 18.418 19.000 -0.026 0.000 0.814 818 A HN 0.514 nan 8.150 nan 0.000 0.446 819 Q N -1.879 117.842 119.800 -0.133 0.000 2.083 819 Q HA -0.160 4.176 4.340 -0.006 0.000 0.198 819 Q C 1.958 177.768 176.000 -0.318 0.000 0.969 819 Q CA 1.595 57.277 55.803 -0.201 0.000 0.838 819 Q CB -0.306 28.294 28.738 -0.229 0.000 0.900 819 Q HN 0.830 nan 8.270 nan 0.000 0.436 820 Y N 0.588 120.590 120.300 -0.497 0.000 2.114 820 Y HA -0.317 4.230 4.550 -0.006 0.000 0.282 820 Y C 2.475 177.815 175.900 -0.934 0.000 1.165 820 Y CA 1.304 58.849 58.100 -0.926 0.000 1.148 820 Y CB -0.289 37.262 38.460 -1.515 0.000 0.972 820 Y HN 0.176 nan 8.280 nan 0.000 0.504 821 A N 0.136 122.738 122.820 -0.363 0.000 1.873 821 A HA -0.187 4.129 4.320 -0.006 0.000 0.215 821 A C 2.165 179.776 177.584 0.045 0.000 1.186 821 A CA 1.852 53.920 52.037 0.052 0.000 0.616 821 A CB -0.501 18.605 19.000 0.176 0.000 0.823 821 A HN 0.419 nan 8.150 nan 0.000 0.442 822 R N -0.609 119.875 120.500 -0.027 0.000 2.161 822 R HA 0.022 4.359 4.340 -0.006 0.000 0.213 822 R C 1.684 177.968 176.300 -0.025 0.000 1.055 822 R CA 1.321 57.415 56.100 -0.009 0.000 0.996 822 R CB -0.062 30.226 30.300 -0.020 0.000 0.901 822 R HN 0.649 nan 8.270 nan 0.000 0.456 823 E N -0.567 119.581 120.200 -0.087 0.000 2.389 823 E HA 0.114 4.460 4.350 -0.006 0.000 0.199 823 E C 1.324 177.896 176.600 -0.047 0.000 0.978 823 E CA 0.451 56.804 56.400 -0.079 0.000 0.912 823 E CB 0.607 30.228 29.700 -0.132 0.000 0.907 823 E HN 0.268 nan 8.360 nan 0.000 0.494 824 I N -1.139 119.382 120.570 -0.081 0.000 3.739 824 I HA 0.024 4.191 4.170 -0.006 0.000 0.272 824 I C 1.359 177.641 176.117 0.274 0.000 1.167 824 I CA -0.103 61.224 61.300 0.046 0.000 1.386 824 I CB 0.211 38.133 38.000 -0.129 0.000 1.490 824 I HN 0.094 nan 8.210 nan 0.000 0.452 825 W N 1.699 123.093 121.300 0.157 0.000 2.518 825 W HA 0.265 4.922 4.660 -0.005 0.000 0.273 825 W C 1.542 178.095 176.519 0.058 0.000 1.247 825 W CA 0.980 58.395 57.345 0.116 0.000 1.288 825 W CB -1.146 28.367 29.460 0.090 0.000 1.107 825 W HN 0.334 nan 8.180 nan 0.000 0.586 826 G N 0.933 109.875 108.800 0.236 0.000 2.256 826 G HA2 -0.087 3.870 3.960 -0.006 0.000 0.272 826 G HA3 -0.087 3.870 3.960 -0.006 0.000 0.272 826 G C -0.302 174.667 174.900 0.116 0.000 1.076 826 G CA 0.223 45.401 45.100 0.130 0.000 0.882 826 G HN 0.434 nan 8.290 nan 0.000 0.497 827 V N -3.777 116.224 119.914 0.144 0.000 3.130 827 V HA 0.962 5.079 4.120 -0.006 0.000 0.310 827 V C -0.440 175.711 176.094 0.094 0.000 1.158 827 V CA -1.365 60.999 62.300 0.107 0.000 1.029 827 V CB 2.261 34.151 31.823 0.110 0.000 1.057 827 V HN 0.470 nan 8.190 nan 0.000 0.436 828 E N 3.206 123.447 120.200 0.068 0.000 2.145 828 E HA 0.672 5.019 4.350 -0.006 0.000 0.270 828 E C -2.590 174.048 176.600 0.062 0.000 0.906 828 E CA -2.062 54.372 56.400 0.057 0.000 0.761 828 E CB 1.629 31.355 29.700 0.043 0.000 1.116 828 E HN 0.795 nan 8.360 nan 0.000 0.408 829 P HA 0.162 nan 4.420 nan 0.000 0.272 829 P C -0.919 176.413 177.300 0.055 0.000 1.223 829 P CA -0.483 62.654 63.100 0.062 0.000 0.784 829 P CB 1.227 32.960 31.700 0.055 0.000 0.923 830 S N 0.828 116.564 115.700 0.060 0.000 2.668 830 S HA 0.394 4.860 4.470 -0.006 0.000 0.277 830 S C -0.343 174.288 174.600 0.053 0.000 1.170 830 S CA -0.790 57.443 58.200 0.056 0.000 0.994 830 S CB 0.859 64.098 63.200 0.065 0.000 1.051 830 S HN 0.327 nan 8.310 nan 0.000 0.484 831 R N 0.000 120.526 120.500 0.043 0.000 2.786 831 R HA 0.000 4.337 4.340 -0.006 0.000 0.208 831 R CA 0.000 56.125 56.100 0.042 0.000 0.921 831 R CB 0.000 30.326 30.300 0.043 0.000 0.687 831 R HN 0.000 nan 8.270 nan 0.000 0.535