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 3bd8_1_A DATA FIRST_RESID 12 DATA SEQUENCE QISVRGLAGV ENVTELKKNF NRHLHFTLVK DRNVATPRDY YFALAHTVRD DATA SEQUENCE HLVGRWIRTQ QHYYEKDPKR IYYLSLEFYM GRTLQNTMVN LALENACDEA DATA SEQUENCE TYQLGLDMEE LEEIEEDAGL GNGGLGRLAA CFLDSMATLG LAAYGYGIRY DATA SEQUENCE EFGIFNQKIC GGWQMEEADD WLRYGNPWEK ARPEFTLPVH FYGRVEHTSQ DATA SEQUENCE GAKWVDTQVV LAMPYDTPVP GYRNNVVNTM RLWSAKAPND FNLXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.982 176.000 -0.029 0.000 1.003 12 Q CA 0.000 55.773 55.803 -0.049 0.000 1.022 12 Q CB 0.000 28.703 28.738 -0.058 0.000 1.108 13 I N -0.625 119.933 120.570 -0.020 0.000 2.562 13 I HA 0.593 4.758 4.170 -0.008 0.000 0.301 13 I C 0.948 177.065 176.117 -0.000 0.000 1.003 13 I CA -0.315 60.981 61.300 -0.007 0.000 1.127 13 I CB 1.977 39.977 38.000 0.000 0.000 1.304 13 I HN 0.252 nan 8.210 nan 0.000 0.446 14 S N 3.533 119.238 115.700 0.009 0.000 2.377 14 S HA -0.203 4.262 4.470 -0.008 0.000 0.224 14 S C 1.829 176.440 174.600 0.018 0.000 1.042 14 S CA 2.576 60.785 58.200 0.014 0.000 1.086 14 S CB -0.667 62.547 63.200 0.024 0.000 0.995 14 S HN 0.861 nan 8.310 nan 0.000 0.428 15 V N 0.294 120.227 119.914 0.032 0.000 2.944 15 V HA -0.023 4.092 4.120 -0.008 0.000 0.265 15 V C 1.916 178.025 176.094 0.025 0.000 1.125 15 V CA 1.828 64.150 62.300 0.037 0.000 1.145 15 V CB -1.143 30.710 31.823 0.050 0.000 0.725 15 V HN 0.412 nan 8.190 nan 0.000 0.510 16 R N 1.185 121.691 120.500 0.010 0.000 2.320 16 R HA 0.430 4.765 4.340 -0.008 0.000 0.211 16 R C 1.145 177.435 176.300 -0.015 0.000 0.931 16 R CA 0.533 56.632 56.100 -0.002 0.000 1.071 16 R CB -0.048 30.247 30.300 -0.009 0.000 1.025 16 R HN 0.791 nan 8.270 nan 0.000 0.495 17 G N 0.682 109.472 108.800 -0.015 0.000 2.757 17 G HA2 -0.221 3.734 3.960 -0.008 0.000 0.638 17 G HA3 -0.221 3.734 3.960 -0.008 0.000 0.638 17 G C -0.795 174.089 174.900 -0.026 0.000 1.344 17 G CA -1.059 44.023 45.100 -0.029 0.000 0.855 17 G HN -0.016 nan 8.290 nan 0.000 0.537 18 L N 0.152 121.357 121.223 -0.030 0.000 2.379 18 L HA 0.698 5.034 4.340 -0.008 0.000 0.269 18 L C 1.191 178.047 176.870 -0.024 0.000 1.084 18 L CA 0.293 55.119 54.840 -0.024 0.000 0.802 18 L CB 1.099 43.145 42.059 -0.021 0.000 1.175 18 L HN 1.586 nan 8.230 nan 0.000 0.448 19 A N 1.724 124.534 122.820 -0.018 0.000 3.150 19 A HA 0.575 4.890 4.320 -0.008 0.000 0.328 19 A C 0.666 178.246 177.584 -0.006 0.000 1.104 19 A CA -0.347 51.682 52.037 -0.013 0.000 0.937 19 A CB -0.281 18.711 19.000 -0.013 0.000 1.073 19 A HN 0.798 nan 8.150 nan 0.000 0.497 20 G N -0.317 108.479 108.800 -0.006 0.000 2.554 20 G HA2 0.337 4.292 3.960 -0.008 0.000 0.238 20 G HA3 0.337 4.292 3.960 -0.008 0.000 0.238 20 G C 1.028 175.932 174.900 0.006 0.000 1.259 20 G CA 0.067 45.166 45.100 -0.000 0.000 0.843 20 G HN 0.453 nan 8.290 nan 0.000 0.582 21 V N 1.699 121.618 119.914 0.008 0.000 2.287 21 V HA -0.186 3.929 4.120 -0.008 0.000 0.248 21 V C 2.699 178.802 176.094 0.016 0.000 1.053 21 V CA 2.434 64.740 62.300 0.012 0.000 1.027 21 V CB -0.705 31.124 31.823 0.010 0.000 0.646 21 V HN 0.780 nan 8.190 nan 0.000 0.447 22 E N 0.452 120.662 120.200 0.016 0.000 2.051 22 E HA -0.191 4.154 4.350 -0.008 0.000 0.192 22 E C 2.095 178.715 176.600 0.033 0.000 0.991 22 E CA 1.633 58.047 56.400 0.023 0.000 0.799 22 E CB -0.313 29.399 29.700 0.021 0.000 0.748 22 E HN 0.610 nan 8.360 nan 0.000 0.449 23 N N -0.835 117.883 118.700 0.030 0.000 2.120 23 N HA -0.128 4.607 4.740 -0.008 0.000 0.188 23 N C 1.600 177.136 175.510 0.042 0.000 1.024 23 N CA 1.078 54.151 53.050 0.039 0.000 0.852 23 N CB -0.077 38.418 38.487 0.013 0.000 1.003 23 N HN -0.018 nan 8.380 nan 0.000 0.424 24 V N 0.116 120.047 119.914 0.028 0.000 2.407 24 V HA -0.213 3.902 4.120 -0.008 0.000 0.248 24 V C 2.004 178.119 176.094 0.036 0.000 1.055 24 V CA 1.811 64.128 62.300 0.028 0.000 1.049 24 V CB -0.873 30.962 31.823 0.019 0.000 0.662 24 V HN 0.402 nan 8.190 nan 0.000 0.455 25 T N -0.559 114.015 114.554 0.034 0.000 2.746 25 T HA -0.208 4.137 4.350 -0.008 0.000 0.267 25 T C 1.934 176.667 174.700 0.054 0.000 1.039 25 T CA 1.745 63.867 62.100 0.035 0.000 1.142 25 T CB -0.187 68.698 68.868 0.028 0.000 0.866 25 T HN 0.455 nan 8.240 nan 0.000 0.444 26 E N 0.990 121.230 120.200 0.067 0.000 2.106 26 E HA -0.004 4.341 4.350 -0.008 0.000 0.192 26 E C 2.035 178.712 176.600 0.128 0.000 0.984 26 E CA 0.857 57.310 56.400 0.089 0.000 0.806 26 E CB -0.504 29.254 29.700 0.097 0.000 0.750 26 E HN 0.440 nan 8.360 nan 0.000 0.458 27 L N 0.100 121.407 121.223 0.139 0.000 2.046 27 L HA -0.180 4.155 4.340 -0.008 0.000 0.208 27 L C 2.418 179.400 176.870 0.187 0.000 1.077 27 L CA 1.475 56.424 54.840 0.182 0.000 0.747 27 L CB -0.358 41.781 42.059 0.134 0.000 0.896 27 L HN 0.081 nan 8.230 nan 0.000 0.432 28 K N 0.601 121.069 120.400 0.114 0.000 2.026 28 K HA -0.204 4.111 4.320 -0.008 0.000 0.208 28 K C 2.117 178.816 176.600 0.165 0.000 1.048 28 K CA 1.797 58.141 56.287 0.095 0.000 0.929 28 K CB -0.135 32.378 32.500 0.021 0.000 0.713 28 K HN 0.392 nan 8.250 nan 0.000 0.439 29 K N 0.449 120.925 120.400 0.126 0.000 2.097 29 K HA -0.079 4.236 4.320 -0.008 0.000 0.206 29 K C 1.639 178.324 176.600 0.142 0.000 1.049 29 K CA 1.388 57.744 56.287 0.116 0.000 0.933 29 K CB -0.215 32.329 32.500 0.073 0.000 0.717 29 K HN 0.028 nan 8.250 nan 0.000 0.442 30 N N 0.504 119.300 118.700 0.160 0.000 2.270 30 N HA -0.105 4.630 4.740 -0.008 0.000 0.181 30 N C 1.578 177.236 175.510 0.248 0.000 1.016 30 N CA 0.899 54.038 53.050 0.148 0.000 0.870 30 N CB -0.234 38.352 38.487 0.165 0.000 0.979 30 N HN 0.221 nan 8.380 nan 0.000 0.431 31 F N 2.440 122.486 119.950 0.160 0.000 2.102 31 F HA -0.072 4.450 4.527 -0.008 0.000 0.298 31 F C 1.990 177.893 175.800 0.171 0.000 1.105 31 F CA 1.219 59.330 58.000 0.185 0.000 1.239 31 F CB -0.113 38.965 39.000 0.130 0.000 0.991 31 F HN -0.036 nan 8.300 nan 0.000 0.474 32 N N 0.489 119.426 118.700 0.396 0.000 2.244 32 N HA -0.172 4.563 4.740 -0.008 0.000 0.183 32 N C 2.004 177.601 175.510 0.144 0.000 1.016 32 N CA 1.044 54.249 53.050 0.258 0.000 0.866 32 N CB -0.510 38.099 38.487 0.203 0.000 0.980 32 N HN 0.379 nan 8.380 nan 0.000 0.430 33 R N 0.334 120.914 120.500 0.134 0.000 2.073 33 R HA -0.099 4.236 4.340 -0.008 0.000 0.234 33 R C 1.793 178.176 176.300 0.138 0.000 1.134 33 R CA 1.479 57.679 56.100 0.166 0.000 0.952 33 R CB -0.201 30.127 30.300 0.047 0.000 0.850 33 R HN 0.363 nan 8.270 nan 0.000 0.433 34 H N -0.420 118.692 119.070 0.070 0.000 2.389 34 H HA -0.114 4.437 4.556 -0.008 0.000 0.299 34 H C 1.880 177.149 175.328 -0.099 0.000 1.081 34 H CA 1.418 57.443 56.048 -0.038 0.000 1.345 34 H CB 0.074 29.769 29.762 -0.112 0.000 1.393 34 H HN 0.130 nan 8.280 nan 0.000 0.520 35 L N 0.026 121.241 121.223 -0.013 0.000 2.079 35 L HA -0.200 4.135 4.340 -0.008 0.000 0.210 35 L C 2.184 179.040 176.870 -0.022 0.000 1.081 35 L CA 1.877 56.682 54.840 -0.058 0.000 0.752 35 L CB -0.454 41.588 42.059 -0.028 0.000 0.896 35 L HN 0.302 nan 8.230 nan 0.000 0.433 36 H N -1.597 117.403 119.070 -0.117 0.000 2.266 36 H HA -0.067 4.484 4.556 -0.008 0.000 0.308 36 H C 1.824 176.968 175.328 -0.307 0.000 1.057 36 H CA 2.305 58.194 56.048 -0.265 0.000 1.330 36 H CB -0.368 29.137 29.762 -0.429 0.000 1.400 36 H HN 0.279 nan 8.280 nan 0.000 0.503 37 F N -0.250 119.679 119.950 -0.035 0.000 2.206 37 F HA -0.057 4.465 4.527 -0.008 0.000 0.298 37 F C 2.633 178.357 175.800 -0.126 0.000 1.090 37 F CA 1.487 59.422 58.000 -0.110 0.000 1.323 37 F CB -0.489 38.487 39.000 -0.040 0.000 1.028 37 F HN 0.201 nan 8.300 nan 0.000 0.492 38 T N -0.161 114.430 114.554 0.063 0.000 2.901 38 T HA 0.067 4.413 4.350 -0.008 0.000 0.252 38 T C 1.974 176.587 174.700 -0.145 0.000 1.035 38 T CA 0.829 62.893 62.100 -0.060 0.000 1.142 38 T CB -0.279 68.525 68.868 -0.107 0.000 0.869 38 T HN 0.109 nan 8.240 nan 0.000 0.442 39 L N 1.145 122.282 121.223 -0.144 0.000 2.529 39 L HA 0.208 4.543 4.340 -0.008 0.000 0.223 39 L C 0.304 177.081 176.870 -0.154 0.000 1.113 39 L CA -0.093 54.651 54.840 -0.161 0.000 0.861 39 L CB -0.031 41.940 42.059 -0.147 0.000 1.012 39 L HN -0.025 nan 8.230 nan 0.000 0.461 40 V N 1.049 120.857 119.914 -0.177 0.000 6.016 40 V HA -0.293 3.823 4.120 -0.008 0.000 0.265 40 V C -0.034 175.953 176.094 -0.178 0.000 0.621 40 V CA 1.168 63.335 62.300 -0.222 0.000 0.592 40 V CB -2.153 29.564 31.823 -0.176 0.000 0.298 40 V HN 0.487 nan 8.190 nan 0.000 0.615 41 K N 0.630 120.935 120.400 -0.158 0.000 2.522 41 K HA 0.711 5.026 4.320 -0.008 0.000 0.275 41 K C -0.760 175.818 176.600 -0.036 0.000 1.006 41 K CA -0.502 55.727 56.287 -0.097 0.000 0.890 41 K CB 2.737 35.177 32.500 -0.100 0.000 1.475 41 K HN 0.502 nan 8.250 nan 0.000 0.441 42 D N -1.046 119.352 120.400 -0.005 0.000 2.477 42 D HA 0.324 4.959 4.640 -0.008 0.000 0.234 42 D C 0.551 176.892 176.300 0.069 0.000 1.048 42 D CA -0.780 53.250 54.000 0.049 0.000 0.959 42 D CB 1.033 41.858 40.800 0.041 0.000 1.408 42 D HN 0.110 nan 8.370 nan 0.000 0.496 43 R N 0.337 120.909 120.500 0.120 0.000 2.293 43 R HA -0.010 4.325 4.340 -0.008 0.000 0.219 43 R C 0.611 176.990 176.300 0.131 0.000 1.091 43 R CA 0.461 56.672 56.100 0.185 0.000 1.004 43 R CB -0.736 29.671 30.300 0.179 0.000 0.865 43 R HN 0.525 nan 8.270 nan 0.000 0.469 44 N N 0.114 118.857 118.700 0.072 0.000 2.376 44 N HA -0.065 4.670 4.740 -0.008 0.000 0.177 44 N C 1.499 177.027 175.510 0.029 0.000 1.024 44 N CA 1.181 54.260 53.050 0.049 0.000 0.893 44 N CB 0.495 39.001 38.487 0.032 0.000 0.980 44 N HN 0.198 nan 8.380 nan 0.000 0.439 45 V N -2.885 117.033 119.914 0.007 0.000 3.477 45 V HA 0.536 4.651 4.120 -0.008 0.000 0.297 45 V C 0.705 176.761 176.094 -0.064 0.000 1.433 45 V CA -0.574 61.715 62.300 -0.020 0.000 1.052 45 V CB -0.174 31.633 31.823 -0.026 0.000 0.895 45 V HN 0.015 nan 8.190 nan 0.000 0.438 46 A N 2.099 124.858 122.820 -0.101 0.000 2.440 46 A HA 0.616 4.931 4.320 -0.008 0.000 0.251 46 A C 0.711 178.094 177.584 -0.335 0.000 1.089 46 A CA 0.749 52.611 52.037 -0.293 0.000 0.779 46 A CB 0.005 18.708 19.000 -0.495 0.000 1.022 46 A HN 0.842 nan 8.150 nan 0.000 0.492 47 T N -0.029 114.331 114.554 -0.324 0.000 2.948 47 T HA 0.584 4.929 4.350 -0.008 0.000 0.285 47 T C -2.164 172.426 174.700 -0.183 0.000 1.019 47 T CA -1.778 60.220 62.100 -0.170 0.000 1.013 47 T CB 1.275 70.098 68.868 -0.074 0.000 1.117 47 T HN 0.230 nan 8.240 nan 0.000 0.533 48 P HA -0.082 nan 4.420 nan 0.000 0.216 48 P C 1.623 179.030 177.300 0.179 0.000 1.150 48 P CA 0.950 64.172 63.100 0.203 0.000 0.843 48 P CB 0.047 31.843 31.700 0.161 0.000 0.787 49 R N -0.003 120.553 120.500 0.094 0.000 2.081 49 R HA -0.148 4.188 4.340 -0.008 0.000 0.235 49 R C 1.647 178.121 176.300 0.291 0.000 1.131 49 R CA 1.816 58.022 56.100 0.177 0.000 0.960 49 R CB -0.726 29.597 30.300 0.038 0.000 0.856 49 R HN 0.081 nan 8.270 nan 0.000 0.436 50 D N -0.299 120.137 120.400 0.060 0.000 2.117 50 D HA -0.189 4.446 4.640 -0.008 0.000 0.197 50 D C 1.721 178.045 176.300 0.041 0.000 0.987 50 D CA 1.329 55.316 54.000 -0.022 0.000 0.829 50 D CB -0.315 40.328 40.800 -0.262 0.000 0.961 50 D HN 0.311 nan 8.370 nan 0.000 0.460 51 Y N -0.065 120.345 120.300 0.183 0.000 2.242 51 Y HA -0.185 4.360 4.550 -0.008 0.000 0.291 51 Y C 2.293 178.325 175.900 0.221 0.000 1.137 51 Y CA 0.236 58.483 58.100 0.245 0.000 1.181 51 Y CB -1.108 37.555 38.460 0.338 0.000 0.989 51 Y HN 0.086 nan 8.280 nan 0.000 0.527 52 Y N -0.477 119.978 120.300 0.259 0.000 2.128 52 Y HA -0.273 4.272 4.550 -0.008 0.000 0.284 52 Y C 1.909 177.788 175.900 -0.036 0.000 1.154 52 Y CA 1.225 59.377 58.100 0.087 0.000 1.149 52 Y CB -1.121 37.307 38.460 -0.053 0.000 0.976 52 Y HN 0.043 nan 8.280 nan 0.000 0.505 53 F N 0.188 119.902 119.950 -0.394 0.000 2.186 53 F HA -0.091 4.431 4.527 -0.008 0.000 0.299 53 F C 2.635 178.260 175.800 -0.291 0.000 1.090 53 F CA 1.307 59.026 58.000 -0.469 0.000 1.307 53 F CB -0.852 38.047 39.000 -0.169 0.000 1.019 53 F HN 0.191 nan 8.300 nan 0.000 0.489 54 A N -0.200 122.551 122.820 -0.115 0.000 1.902 54 A HA -0.176 4.139 4.320 -0.008 0.000 0.217 54 A C 2.070 179.491 177.584 -0.271 0.000 1.181 54 A CA 1.562 53.393 52.037 -0.342 0.000 0.623 54 A CB -0.996 17.466 19.000 -0.897 0.000 0.818 54 A HN 0.340 nan 8.150 nan 0.000 0.443 55 L N -0.273 120.906 121.223 -0.074 0.000 2.027 55 L HA 0.004 4.339 4.340 -0.008 0.000 0.206 55 L C 2.679 179.529 176.870 -0.034 0.000 1.074 55 L CA 2.136 57.074 54.840 0.162 0.000 0.745 55 L CB -0.947 41.291 42.059 0.298 0.000 0.898 55 L HN 0.338 nan 8.230 nan 0.000 0.433 56 A N -1.203 121.423 122.820 -0.324 0.000 1.883 56 A HA -0.292 4.023 4.320 -0.008 0.000 0.217 56 A C 2.150 179.390 177.584 -0.573 0.000 1.186 56 A CA 2.081 53.817 52.037 -0.501 0.000 0.624 56 A CB -1.112 17.253 19.000 -1.060 0.000 0.822 56 A HN 0.678 nan 8.150 nan 0.000 0.444 57 H N -0.906 117.844 119.070 -0.533 0.000 2.423 57 H HA -0.045 4.506 4.556 -0.008 0.000 0.297 57 H C 2.317 177.386 175.328 -0.432 0.000 1.075 57 H CA 1.909 57.576 56.048 -0.635 0.000 1.342 57 H CB -0.137 28.977 29.762 -1.081 0.000 1.395 57 H HN 0.465 nan 8.280 nan 0.000 0.530 58 T N -0.414 114.090 114.554 -0.083 0.000 2.777 58 T HA -0.121 4.224 4.350 -0.008 0.000 0.266 58 T C 2.245 177.103 174.700 0.263 0.000 1.040 58 T CA 1.295 63.522 62.100 0.211 0.000 1.141 58 T CB -0.343 68.711 68.868 0.309 0.000 0.868 58 T HN 0.097 nan 8.240 nan 0.000 0.444 59 V N 1.566 121.608 119.914 0.214 0.000 2.358 59 V HA -0.116 3.999 4.120 -0.008 0.000 0.246 59 V C 2.603 178.875 176.094 0.296 0.000 1.047 59 V CA 1.600 64.073 62.300 0.288 0.000 1.035 59 V CB -0.625 31.363 31.823 0.275 0.000 0.658 59 V HN 0.375 nan 8.190 nan 0.000 0.452 60 R N 0.348 120.962 120.500 0.189 0.000 2.091 60 R HA -0.226 4.109 4.340 -0.008 0.000 0.238 60 R C 1.958 178.350 176.300 0.153 0.000 1.136 60 R CA 2.197 58.402 56.100 0.174 0.000 0.959 60 R CB -0.453 29.780 30.300 -0.111 0.000 0.856 60 R HN 0.463 nan 8.270 nan 0.000 0.437 61 D N -0.057 120.414 120.400 0.119 0.000 2.158 61 D HA -0.184 4.451 4.640 -0.008 0.000 0.197 61 D C 1.726 178.027 176.300 0.002 0.000 0.995 61 D CA 1.189 55.229 54.000 0.066 0.000 0.846 61 D CB -0.420 40.406 40.800 0.043 0.000 0.941 61 D HN 0.465 nan 8.370 nan 0.000 0.456 62 H N -0.322 118.811 119.070 0.104 0.000 2.521 62 H HA 0.036 4.587 4.556 -0.008 0.000 0.286 62 H C 2.228 177.596 175.328 0.067 0.000 1.034 62 H CA 0.395 56.489 56.048 0.076 0.000 1.278 62 H CB 0.251 30.050 29.762 0.061 0.000 1.386 62 H HN 0.213 nan 8.280 nan 0.000 0.567 63 L N 0.443 121.773 121.223 0.178 0.000 2.162 63 L HA -0.112 4.223 4.340 -0.008 0.000 0.205 63 L C 2.774 179.753 176.870 0.181 0.000 1.086 63 L CA 0.513 55.426 54.840 0.122 0.000 0.778 63 L CB -0.201 41.898 42.059 0.068 0.000 0.928 63 L HN 0.102 nan 8.230 nan 0.000 0.446 64 V N -1.879 118.166 119.914 0.219 0.000 2.252 64 V HA -0.225 3.890 4.120 -0.008 0.000 0.249 64 V C 2.324 178.530 176.094 0.188 0.000 1.056 64 V CA 2.197 64.658 62.300 0.268 0.000 1.022 64 V CB -1.932 30.001 31.823 0.183 0.000 0.641 64 V HN 0.408 nan 8.190 nan 0.000 0.445 65 G N 0.305 109.171 108.800 0.109 0.000 2.459 65 G HA2 -0.265 3.691 3.960 -0.008 0.000 0.217 65 G HA3 -0.265 3.691 3.960 -0.008 0.000 0.217 65 G C 1.752 176.698 174.900 0.076 0.000 1.183 65 G CA 1.124 46.264 45.100 0.068 0.000 0.776 65 G HN 0.567 nan 8.290 nan 0.000 0.552 66 R N -1.443 119.111 120.500 0.089 0.000 2.096 66 R HA -0.091 4.245 4.340 -0.008 0.000 0.235 66 R C 2.281 178.660 176.300 0.132 0.000 1.127 66 R CA 1.194 57.334 56.100 0.067 0.000 0.968 66 R CB -0.374 29.950 30.300 0.039 0.000 0.861 66 R HN 0.494 nan 8.270 nan 0.000 0.440 67 W N 1.636 122.913 121.300 -0.038 0.000 2.358 67 W HA -0.070 4.586 4.660 -0.008 0.000 0.303 67 W C 1.701 178.190 176.519 -0.051 0.000 1.208 67 W CA 0.885 58.205 57.345 -0.043 0.000 1.274 67 W CB -0.518 28.935 29.460 -0.012 0.000 1.138 67 W HN -0.035 nan 8.180 nan 0.000 0.515 68 I N 0.991 121.611 120.570 0.084 0.000 2.252 68 I HA -0.318 3.848 4.170 -0.008 0.000 0.245 68 I C 2.614 178.707 176.117 -0.040 0.000 1.102 68 I CA 1.863 63.125 61.300 -0.062 0.000 1.385 68 I CB -0.563 37.407 38.000 -0.051 0.000 1.064 68 I HN -0.026 nan 8.210 nan 0.000 0.414 69 R N 0.106 120.599 120.500 -0.012 0.000 2.153 69 R HA -0.018 4.317 4.340 -0.008 0.000 0.218 69 R C 1.918 178.179 176.300 -0.066 0.000 1.072 69 R CA 1.304 57.389 56.100 -0.025 0.000 0.990 69 R CB -1.084 29.202 30.300 -0.022 0.000 0.889 69 R HN 0.170 nan 8.270 nan 0.000 0.452 70 T N 1.571 116.064 114.554 -0.101 0.000 2.737 70 T HA -0.093 4.252 4.350 -0.008 0.000 0.265 70 T C 1.798 176.242 174.700 -0.426 0.000 1.038 70 T CA 1.250 63.182 62.100 -0.280 0.000 1.144 70 T CB -0.091 68.651 68.868 -0.211 0.000 0.866 70 T HN 0.216 nan 8.240 nan 0.000 0.434 71 Q N 0.785 120.474 119.800 -0.185 0.000 2.167 71 Q HA -0.074 4.261 4.340 -0.008 0.000 0.202 71 Q C 2.322 178.333 176.000 0.019 0.000 0.970 71 Q CA 1.239 57.006 55.803 -0.061 0.000 0.855 71 Q CB -0.466 28.255 28.738 -0.029 0.000 0.911 71 Q HN 0.486 nan 8.270 nan 0.000 0.438 72 Q N -0.015 119.786 119.800 0.003 0.000 2.119 72 Q HA -0.170 4.165 4.340 -0.008 0.000 0.201 72 Q C 1.876 177.964 176.000 0.147 0.000 0.972 72 Q CA 1.771 57.623 55.803 0.080 0.000 0.847 72 Q CB -0.330 28.436 28.738 0.047 0.000 0.903 72 Q HN 0.527 nan 8.270 nan 0.000 0.433 73 H N -0.897 118.143 119.070 -0.050 0.000 2.290 73 H HA -0.185 4.366 4.556 -0.008 0.000 0.298 73 H C 1.140 176.524 175.328 0.094 0.000 1.087 73 H CA 2.352 58.376 56.048 -0.040 0.000 1.291 73 H CB -0.364 29.293 29.762 -0.176 0.000 1.369 73 H HN 0.359 nan 8.280 nan 0.000 0.492 74 Y N -1.099 119.257 120.300 0.094 0.000 2.333 74 Y HA -0.186 4.359 4.550 -0.008 0.000 0.290 74 Y C 2.365 178.304 175.900 0.066 0.000 1.144 74 Y CA 0.973 59.095 58.100 0.037 0.000 1.228 74 Y CB -1.193 37.342 38.460 0.125 0.000 0.985 74 Y HN 0.374 nan 8.280 nan 0.000 0.542 75 Y N 1.223 121.600 120.300 0.128 0.000 2.220 75 Y HA -0.140 4.405 4.550 -0.008 0.000 0.291 75 Y C 2.099 178.007 175.900 0.013 0.000 1.129 75 Y CA 1.525 59.666 58.100 0.068 0.000 1.161 75 Y CB -0.101 38.389 38.460 0.050 0.000 0.997 75 Y HN 0.034 nan 8.280 nan 0.000 0.522 76 E N 0.498 120.683 120.200 -0.025 0.000 2.028 76 E HA -0.182 4.163 4.350 -0.008 0.000 0.191 76 E C 2.011 178.512 176.600 -0.166 0.000 0.988 76 E CA 1.495 57.818 56.400 -0.129 0.000 0.799 76 E CB -0.315 29.361 29.700 -0.040 0.000 0.755 76 E HN 0.507 nan 8.360 nan 0.000 0.447 77 K N 0.516 120.806 120.400 -0.182 0.000 2.296 77 K HA -0.074 4.241 4.320 -0.008 0.000 0.200 77 K C 0.086 176.624 176.600 -0.103 0.000 1.048 77 K CA 0.534 56.724 56.287 -0.162 0.000 0.966 77 K CB 0.023 32.374 32.500 -0.249 0.000 0.754 77 K HN 0.001 nan 8.250 nan 0.000 0.466 78 D N 0.903 121.258 120.400 -0.076 0.000 2.697 78 D HA -0.103 4.532 4.640 -0.008 0.000 0.235 78 D C -2.377 173.900 176.300 -0.037 0.000 1.167 78 D CA 0.051 54.022 54.000 -0.049 0.000 0.656 78 D CB -0.092 40.651 40.800 -0.095 0.000 1.025 78 D HN 0.173 nan 8.370 nan 0.000 0.419 79 P HA 0.094 nan 4.420 nan 0.000 0.277 79 P C -0.149 177.112 177.300 -0.066 0.000 1.271 79 P CA -0.611 62.459 63.100 -0.051 0.000 0.795 79 P CB 0.651 32.313 31.700 -0.064 0.000 1.101 80 K N 0.995 121.357 120.400 -0.062 0.000 2.401 80 K HA 0.072 4.387 4.320 -0.008 0.000 0.278 80 K C -0.050 176.462 176.600 -0.146 0.000 1.018 80 K CA -0.071 56.171 56.287 -0.075 0.000 0.981 80 K CB 0.238 32.710 32.500 -0.047 0.000 0.933 80 K HN 0.249 nan 8.250 nan 0.000 0.477 81 R N 3.527 123.924 120.500 -0.172 0.000 2.368 81 R HA 0.341 4.676 4.340 -0.008 0.000 0.302 81 R C -0.547 175.469 176.300 -0.473 0.000 1.002 81 R CA -0.440 55.472 56.100 -0.314 0.000 0.929 81 R CB 0.817 30.927 30.300 -0.316 0.000 1.073 81 R HN 0.494 nan 8.270 nan 0.000 0.464 82 I N 4.599 124.837 120.570 -0.554 0.000 2.339 82 I HA 0.210 4.375 4.170 -0.008 0.000 0.290 82 I C -0.686 175.117 176.117 -0.522 0.000 0.994 82 I CA -0.765 60.162 61.300 -0.621 0.000 1.191 82 I CB 0.881 38.397 38.000 -0.806 0.000 1.343 82 I HN 0.532 nan 8.210 nan 0.000 0.458 83 Y N 6.017 126.283 120.300 -0.057 0.000 2.356 83 Y HA 0.279 4.824 4.550 -0.008 0.000 0.334 83 Y C -0.263 175.745 175.900 0.179 0.000 0.958 83 Y CA -0.740 57.453 58.100 0.156 0.000 1.196 83 Y CB 1.085 39.606 38.460 0.101 0.000 1.137 83 Y HN 0.389 nan 8.280 nan 0.000 0.485 84 Y N 4.613 125.094 120.300 0.302 0.000 2.518 84 Y HA 0.467 5.013 4.550 -0.008 0.000 0.344 84 Y C -1.218 174.943 175.900 0.435 0.000 0.982 84 Y CA -0.996 57.289 58.100 0.308 0.000 1.234 84 Y CB 0.250 38.892 38.460 0.303 0.000 1.114 84 Y HN 0.495 nan 8.280 nan 0.000 0.515 85 L N 4.963 126.236 121.223 0.084 0.000 2.265 85 L HA 0.480 4.815 4.340 -0.008 0.000 0.288 85 L C -0.119 176.761 176.870 0.015 0.000 1.058 85 L CA 0.130 55.071 54.840 0.168 0.000 0.809 85 L CB 1.253 43.381 42.059 0.115 0.000 1.179 85 L HN 0.576 nan 8.230 nan 0.000 0.429 86 S N 2.424 118.219 115.700 0.158 0.000 2.537 86 S HA 0.515 4.980 4.470 -0.008 0.000 0.270 86 S C 0.130 174.815 174.600 0.141 0.000 1.142 86 S CA -0.511 57.684 58.200 -0.008 0.000 0.870 86 S CB 1.013 63.989 63.200 -0.373 0.000 1.112 86 S HN 0.451 nan 8.310 nan 0.000 0.466 87 L N 2.708 124.051 121.223 0.200 0.000 2.591 87 L HA 0.469 4.804 4.340 -0.008 0.000 0.228 87 L C 0.251 177.317 176.870 0.328 0.000 1.133 87 L CA 0.911 55.940 54.840 0.314 0.000 0.880 87 L CB -0.097 42.171 42.059 0.348 0.000 1.033 87 L HN 0.649 nan 8.230 nan 0.000 0.450 88 E N -1.253 119.008 120.200 0.101 0.000 2.292 88 E HA 0.410 4.755 4.350 -0.008 0.000 0.272 88 E C -1.390 175.074 176.600 -0.226 0.000 0.881 88 E CA -0.451 55.990 56.400 0.069 0.000 0.754 88 E CB 1.931 31.651 29.700 0.033 0.000 1.201 88 E HN -0.167 nan 8.360 nan 0.000 0.425 89 F N 2.125 122.180 119.950 0.174 0.000 2.902 89 F HA 0.165 4.687 4.527 -0.008 0.000 0.368 89 F C -0.841 175.047 175.800 0.146 0.000 1.202 89 F CA -0.743 57.350 58.000 0.154 0.000 1.109 89 F CB 0.951 40.033 39.000 0.136 0.000 1.418 89 F HN 0.495 nan 8.300 nan 0.000 0.527 90 Y N 5.216 125.587 120.300 0.117 0.000 2.636 90 Y HA 0.178 4.724 4.550 -0.008 0.000 0.334 90 Y C 1.104 177.025 175.900 0.035 0.000 1.286 90 Y CA -0.914 57.209 58.100 0.038 0.000 1.688 90 Y CB 0.208 38.672 38.460 0.007 0.000 1.662 90 Y HN 0.538 nan 8.280 nan 0.000 0.465 91 M N 1.030 120.752 119.600 0.204 0.000 2.200 91 M HA 0.077 4.552 4.480 -0.008 0.000 0.265 91 M C 1.624 177.890 176.300 -0.056 0.000 1.066 91 M CA 1.182 56.512 55.300 0.049 0.000 1.127 91 M CB -1.289 31.320 32.600 0.016 0.000 1.379 91 M HN 0.644 nan 8.290 nan 0.000 0.420 92 G N 0.964 109.735 108.800 -0.048 0.000 2.562 92 G HA2 -0.266 3.689 3.960 -0.008 0.000 0.250 92 G HA3 -0.266 3.689 3.960 -0.008 0.000 0.250 92 G C -0.279 174.568 174.900 -0.088 0.000 1.269 92 G CA -0.277 44.758 45.100 -0.108 0.000 0.919 92 G HN 0.437 nan 8.290 nan 0.000 0.574 93 R N -0.652 119.777 120.500 -0.117 0.000 2.531 93 R HA 0.571 4.906 4.340 -0.008 0.000 0.273 93 R C 1.102 177.280 176.300 -0.203 0.000 1.070 93 R CA 0.338 56.378 56.100 -0.100 0.000 1.112 93 R CB 0.716 30.964 30.300 -0.087 0.000 1.049 93 R HN 0.530 nan 8.270 nan 0.000 0.508 94 T N 1.194 115.578 114.554 -0.283 0.000 2.978 94 T HA -0.010 4.335 4.350 -0.008 0.000 0.248 94 T C 1.451 175.756 174.700 -0.658 0.000 1.018 94 T CA -0.156 61.566 62.100 -0.630 0.000 1.026 94 T CB 0.121 68.234 68.868 -1.259 0.000 1.032 94 T HN 0.315 nan 8.240 nan 0.000 0.485 95 L N 1.982 123.044 121.223 -0.269 0.000 1.956 95 L HA -0.082 4.253 4.340 -0.008 0.000 0.216 95 L C 2.456 179.283 176.870 -0.071 0.000 1.073 95 L CA 2.030 56.867 54.840 -0.005 0.000 0.762 95 L CB -0.705 41.556 42.059 0.337 0.000 0.889 95 L HN 0.181 nan 8.230 nan 0.000 0.433 96 Q N -0.812 118.949 119.800 -0.066 0.000 2.124 96 Q HA -0.251 4.085 4.340 -0.008 0.000 0.202 96 Q C 2.230 178.154 176.000 -0.126 0.000 0.977 96 Q CA 1.804 57.562 55.803 -0.074 0.000 0.850 96 Q CB -0.295 28.397 28.738 -0.076 0.000 0.901 96 Q HN 0.708 nan 8.270 nan 0.000 0.429 97 N N -0.949 117.636 118.700 -0.192 0.000 2.149 97 N HA -0.146 4.589 4.740 -0.008 0.000 0.188 97 N C 1.332 176.730 175.510 -0.187 0.000 1.019 97 N CA 1.750 54.678 53.050 -0.204 0.000 0.857 97 N CB 0.088 38.419 38.487 -0.259 0.000 0.997 97 N HN 0.204 nan 8.380 nan 0.000 0.426 98 T N 1.270 115.678 114.554 -0.243 0.000 2.777 98 T HA -0.050 4.295 4.350 -0.008 0.000 0.266 98 T C 2.056 176.688 174.700 -0.113 0.000 1.040 98 T CA 1.052 63.026 62.100 -0.210 0.000 1.141 98 T CB -0.061 68.635 68.868 -0.287 0.000 0.868 98 T HN 0.274 nan 8.240 nan 0.000 0.444 99 M N 0.614 120.164 119.600 -0.083 0.000 2.117 99 M HA -0.075 4.400 4.480 -0.008 0.000 0.262 99 M C 2.476 178.739 176.300 -0.062 0.000 1.065 99 M CA 1.202 56.468 55.300 -0.056 0.000 1.114 99 M CB -0.669 31.915 32.600 -0.027 0.000 1.361 99 M HN 0.100 nan 8.290 nan 0.000 0.408 100 V N 0.984 120.867 119.914 -0.052 0.000 2.295 100 V HA -0.266 3.849 4.120 -0.008 0.000 0.246 100 V C 1.741 177.837 176.094 0.003 0.000 1.049 100 V CA 1.990 64.285 62.300 -0.009 0.000 1.024 100 V CB -0.890 30.933 31.823 0.001 0.000 0.648 100 V HN 0.468 nan 8.190 nan 0.000 0.447 101 N N -0.336 118.352 118.700 -0.020 0.000 2.459 101 N HA -0.047 4.688 4.740 -0.008 0.000 0.181 101 N C 1.053 176.458 175.510 -0.175 0.000 1.046 101 N CA 0.733 53.748 53.050 -0.058 0.000 0.904 101 N CB -0.095 38.371 38.487 -0.036 0.000 0.964 101 N HN 0.293 nan 8.380 nan 0.000 0.444 102 L N -0.422 120.718 121.223 -0.137 0.000 2.640 102 L HA 0.415 4.750 4.340 -0.008 0.000 0.230 102 L C 0.572 177.352 176.870 -0.149 0.000 1.123 102 L CA -0.211 54.547 54.840 -0.137 0.000 0.900 102 L CB -0.619 41.383 42.059 -0.096 0.000 1.146 102 L HN 0.075 nan 8.230 nan 0.000 0.484 103 A N -0.419 122.312 122.820 -0.148 0.000 2.846 103 A HA -0.215 4.100 4.320 -0.008 0.000 0.287 103 A C 0.982 178.504 177.584 -0.103 0.000 1.469 103 A CA 0.927 52.889 52.037 -0.124 0.000 0.757 103 A CB -1.953 16.959 19.000 -0.146 0.000 1.033 103 A HN 0.218 nan 8.150 nan 0.000 0.516 104 L N -0.851 120.312 121.223 -0.100 0.000 2.766 104 L HA 0.263 4.598 4.340 -0.008 0.000 0.242 104 L C 1.785 178.619 176.870 -0.061 0.000 1.136 104 L CA 1.373 56.150 54.840 -0.105 0.000 0.933 104 L CB -0.136 41.830 42.059 -0.155 0.000 1.241 104 L HN 0.610 nan 8.230 nan 0.000 0.522 105 E N -0.082 120.091 120.200 -0.045 0.000 2.058 105 E HA -0.238 4.108 4.350 -0.008 0.000 0.194 105 E C 1.518 178.106 176.600 -0.020 0.000 0.997 105 E CA 1.434 57.819 56.400 -0.025 0.000 0.801 105 E CB 0.264 29.951 29.700 -0.022 0.000 0.746 105 E HN 0.424 nan 8.360 nan 0.000 0.450 106 N N -0.094 118.591 118.700 -0.026 0.000 2.216 106 N HA -0.090 4.645 4.740 -0.008 0.000 0.183 106 N C 1.543 177.041 175.510 -0.020 0.000 1.017 106 N CA 1.113 54.148 53.050 -0.024 0.000 0.861 106 N CB -0.278 38.194 38.487 -0.026 0.000 0.986 106 N HN 0.199 nan 8.380 nan 0.000 0.428 107 A N 0.449 123.254 122.820 -0.024 0.000 1.877 107 A HA -0.140 4.175 4.320 -0.008 0.000 0.216 107 A C 2.663 180.244 177.584 -0.005 0.000 1.186 107 A CA 1.276 53.302 52.037 -0.018 0.000 0.620 107 A CB -1.012 17.967 19.000 -0.034 0.000 0.822 107 A HN 0.421 nan 8.150 nan 0.000 0.443 108 C N -0.894 118.403 119.300 -0.005 0.000 2.440 108 C HA -0.067 4.388 4.460 -0.008 0.000 0.278 108 C C 2.479 177.479 174.990 0.016 0.000 1.295 108 C CA 1.229 60.258 59.018 0.017 0.000 1.738 108 C CB -1.144 26.617 27.740 0.034 0.000 1.987 108 C HN 0.753 nan 8.230 nan 0.000 0.492 109 D N 0.674 121.081 120.400 0.011 0.000 2.117 109 D HA -0.159 4.477 4.640 -0.008 0.000 0.197 109 D C 2.105 178.426 176.300 0.035 0.000 0.987 109 D CA 1.596 55.605 54.000 0.015 0.000 0.829 109 D CB -0.215 40.581 40.800 -0.007 0.000 0.961 109 D HN 0.469 nan 8.370 nan 0.000 0.460 110 E N 0.094 120.308 120.200 0.024 0.000 2.072 110 E HA -0.065 4.281 4.350 -0.008 0.000 0.191 110 E C 1.870 178.519 176.600 0.082 0.000 0.985 110 E CA 1.567 58.005 56.400 0.064 0.000 0.801 110 E CB -0.619 29.099 29.700 0.029 0.000 0.750 110 E HN 0.246 nan 8.360 nan 0.000 0.452 111 A N -0.039 122.793 122.820 0.020 0.000 1.883 111 A HA -0.207 4.108 4.320 -0.008 0.000 0.217 111 A C 2.520 180.036 177.584 -0.112 0.000 1.186 111 A CA 2.887 54.906 52.037 -0.030 0.000 0.624 111 A CB -1.525 17.462 19.000 -0.022 0.000 0.822 111 A HN 0.520 nan 8.150 nan 0.000 0.444 112 T N -3.716 110.767 114.554 -0.119 0.000 2.867 112 T HA -0.210 4.135 4.350 -0.008 0.000 0.268 112 T C 1.815 176.434 174.700 -0.136 0.000 1.057 112 T CA 1.545 63.512 62.100 -0.221 0.000 1.136 112 T CB -0.543 68.242 68.868 -0.139 0.000 0.874 112 T HN 0.465 nan 8.240 nan 0.000 0.466 113 Y N 2.106 122.327 120.300 -0.131 0.000 2.145 113 Y HA -0.047 4.498 4.550 -0.007 0.000 0.286 113 Y C 2.607 178.443 175.900 -0.105 0.000 1.145 113 Y CA 1.456 59.497 58.100 -0.099 0.000 1.148 113 Y CB -0.565 37.856 38.460 -0.065 0.000 0.981 113 Y HN 0.241 nan 8.280 nan 0.000 0.507 114 Q N -0.876 118.809 119.800 -0.192 0.000 2.291 114 Q HA -0.120 4.215 4.340 -0.008 0.000 0.205 114 Q C 1.532 177.375 176.000 -0.261 0.000 0.970 114 Q CA 0.983 56.637 55.803 -0.249 0.000 0.876 114 Q CB -0.073 28.610 28.738 -0.091 0.000 0.935 114 Q HN 0.362 nan 8.270 nan 0.000 0.455 115 L N -0.998 120.060 121.223 -0.276 0.000 2.591 115 L HA 0.140 4.476 4.340 -0.008 0.000 0.228 115 L C 1.074 177.764 176.870 -0.300 0.000 1.133 115 L CA 1.127 55.790 54.840 -0.296 0.000 0.880 115 L CB -0.140 41.648 42.059 -0.451 0.000 1.033 115 L HN 0.292 nan 8.230 nan 0.000 0.450 116 G N -0.267 108.343 108.800 -0.318 0.000 2.171 116 G HA2 -0.235 3.720 3.960 -0.008 0.000 0.238 116 G HA3 -0.235 3.720 3.960 -0.008 0.000 0.238 116 G C -0.004 174.761 174.900 -0.225 0.000 1.039 116 G CA 0.239 45.173 45.100 -0.277 0.000 0.759 116 G HN 0.260 nan 8.290 nan 0.000 0.501 117 L N -0.439 120.653 121.223 -0.219 0.000 2.354 117 L HA 0.607 4.942 4.340 -0.008 0.000 0.264 117 L C -0.721 176.126 176.870 -0.038 0.000 1.008 117 L CA -1.199 53.547 54.840 -0.156 0.000 0.819 117 L CB 1.981 43.883 42.059 -0.262 0.000 1.339 117 L HN 0.085 nan 8.230 nan 0.000 0.420 118 D N 1.912 122.318 120.400 0.011 0.000 2.359 118 D HA 0.187 4.822 4.640 -0.008 0.000 0.230 118 D C 0.640 176.975 176.300 0.058 0.000 1.118 118 D CA -0.245 53.787 54.000 0.052 0.000 0.844 118 D CB 1.514 42.347 40.800 0.056 0.000 1.059 118 D HN 0.508 nan 8.370 nan 0.000 0.493 119 M N 3.166 122.801 119.600 0.058 0.000 2.149 119 M HA -0.157 4.318 4.480 -0.008 0.000 0.261 119 M C 1.310 177.656 176.300 0.077 0.000 1.064 119 M CA 1.576 56.920 55.300 0.073 0.000 1.102 119 M CB 0.192 32.828 32.600 0.061 0.000 1.369 119 M HN 0.416 nan 8.290 nan 0.000 0.408 120 E N -0.188 120.047 120.200 0.058 0.000 2.110 120 E HA -0.262 4.083 4.350 -0.008 0.000 0.193 120 E C 1.866 178.501 176.600 0.058 0.000 0.988 120 E CA 1.482 57.913 56.400 0.051 0.000 0.804 120 E CB -0.180 29.547 29.700 0.044 0.000 0.745 120 E HN 0.645 nan 8.360 nan 0.000 0.458 121 E N 0.447 120.685 120.200 0.064 0.000 2.077 121 E HA -0.203 4.142 4.350 -0.008 0.000 0.193 121 E C 1.903 178.548 176.600 0.075 0.000 0.989 121 E CA 0.663 57.102 56.400 0.065 0.000 0.800 121 E CB 0.156 29.897 29.700 0.070 0.000 0.746 121 E HN 0.081 nan 8.360 nan 0.000 0.452 122 L N 1.380 122.670 121.223 0.112 0.000 2.141 122 L HA -0.126 4.209 4.340 -0.008 0.000 0.209 122 L C 2.044 178.976 176.870 0.102 0.000 1.094 122 L CA 1.583 56.523 54.840 0.166 0.000 0.763 122 L CB -0.519 41.692 42.059 0.254 0.000 0.908 122 L HN 0.136 nan 8.230 nan 0.000 0.437 123 E N -0.648 119.600 120.200 0.079 0.000 2.150 123 E HA -0.180 4.165 4.350 -0.008 0.000 0.193 123 E C 1.709 178.266 176.600 -0.071 0.000 0.985 123 E CA 0.693 57.108 56.400 0.025 0.000 0.814 123 E CB -0.020 29.703 29.700 0.038 0.000 0.752 123 E HN 0.431 nan 8.360 nan 0.000 0.466 124 E N 0.338 120.515 120.200 -0.039 0.000 2.418 124 E HA -0.084 4.262 4.350 -0.008 0.000 0.197 124 E C 1.798 178.337 176.600 -0.102 0.000 1.026 124 E CA 0.494 56.871 56.400 -0.037 0.000 0.862 124 E CB 0.105 29.817 29.700 0.019 0.000 0.799 124 E HN 0.424 nan 8.360 nan 0.000 0.518 125 I N 0.677 121.123 120.570 -0.207 0.000 2.876 125 I HA -0.074 4.091 4.170 -0.008 0.000 0.264 125 I C 1.330 177.157 176.117 -0.483 0.000 1.204 125 I CA 0.128 61.252 61.300 -0.294 0.000 1.485 125 I CB 0.127 37.968 38.000 -0.265 0.000 1.103 125 I HN -0.033 nan 8.210 nan 0.000 0.446 126 E N 2.850 122.627 120.200 -0.705 0.000 2.376 126 E HA -0.022 4.323 4.350 -0.008 0.000 0.266 126 E C -0.223 176.296 176.600 -0.135 0.000 1.009 126 E CA -0.239 55.813 56.400 -0.580 0.000 0.902 126 E CB 0.665 30.116 29.700 -0.416 0.000 0.972 126 E HN 0.085 nan 8.360 nan 0.000 0.439 127 E N 3.398 123.620 120.200 0.035 0.000 2.366 127 E HA 0.074 4.419 4.350 -0.008 0.000 0.266 127 E C -0.809 175.903 176.600 0.185 0.000 1.051 127 E CA -0.171 56.328 56.400 0.165 0.000 0.884 127 E CB 0.749 30.637 29.700 0.312 0.000 1.006 127 E HN 0.500 nan 8.360 nan 0.000 0.417 128 D N 0.455 120.938 120.400 0.138 0.000 2.382 128 D HA 0.224 4.859 4.640 -0.008 0.000 0.245 128 D C -0.442 175.891 176.300 0.054 0.000 1.120 128 D CA 0.013 54.059 54.000 0.076 0.000 0.890 128 D CB 0.738 41.560 40.800 0.038 0.000 1.201 128 D HN 0.376 nan 8.370 nan 0.000 0.433 129 A N 2.157 124.953 122.820 -0.039 0.000 2.666 129 A HA 0.481 4.796 4.320 -0.008 0.000 0.312 129 A C 0.927 178.351 177.584 -0.267 0.000 1.471 129 A CA -0.499 51.311 52.037 -0.378 0.000 1.134 129 A CB -0.268 18.597 19.000 -0.225 0.000 1.129 129 A HN 0.532 nan 8.150 nan 0.000 0.539 130 G N 1.982 110.592 108.800 -0.317 0.000 3.717 130 G HA2 0.408 4.363 3.960 -0.008 0.000 0.258 130 G HA3 0.408 4.363 3.960 -0.008 0.000 0.258 130 G C 0.327 175.056 174.900 -0.285 0.000 1.088 130 G CA -0.295 44.734 45.100 -0.119 0.000 1.737 130 G HN 0.693 nan 8.290 nan 0.000 0.648 131 L N 1.355 122.454 121.223 -0.207 0.000 2.862 131 L HA 0.357 4.692 4.340 -0.008 0.000 0.240 131 L C 1.062 177.890 176.870 -0.071 0.000 1.283 131 L CA -0.180 54.627 54.840 -0.055 0.000 1.117 131 L CB -0.419 41.716 42.059 0.127 0.000 1.444 131 L HN 0.340 nan 8.230 nan 0.000 0.456 132 G N -1.278 107.260 108.800 -0.436 0.000 2.660 132 G HA2 0.217 4.172 3.960 -0.008 0.000 0.290 132 G HA3 0.217 4.172 3.960 -0.008 0.000 0.290 132 G C -0.141 174.268 174.900 -0.818 0.000 1.432 132 G CA -0.446 44.336 45.100 -0.531 0.000 0.807 132 G HN -0.086 nan 8.290 nan 0.000 0.485 133 N N -0.840 117.598 118.700 -0.438 0.000 2.439 133 N HA 0.215 4.950 4.740 -0.008 0.000 0.176 133 N C 1.123 176.570 175.510 -0.104 0.000 1.029 133 N CA 1.237 54.127 53.050 -0.267 0.000 0.886 133 N CB 1.334 39.788 38.487 -0.055 0.000 1.057 133 N HN 0.803 nan 8.380 nan 0.000 0.437 134 G N -0.665 108.158 108.800 0.038 0.000 2.818 134 G HA2 0.225 4.180 3.960 -0.008 0.000 0.109 134 G HA3 0.225 4.180 3.960 -0.008 0.000 0.109 134 G C 0.720 175.744 174.900 0.206 0.000 1.206 134 G CA 0.242 45.482 45.100 0.234 0.000 1.243 134 G HN 0.144 nan 8.290 nan 0.000 0.609 135 G N 0.256 109.120 108.800 0.108 0.000 2.476 135 G HA2 -0.061 3.895 3.960 -0.008 0.000 0.218 135 G HA3 -0.061 3.895 3.960 -0.008 0.000 0.218 135 G C 1.847 176.737 174.900 -0.016 0.000 1.164 135 G CA 1.860 46.984 45.100 0.041 0.000 0.768 135 G HN 0.739 nan 8.290 nan 0.000 0.560 136 L N 1.632 122.818 121.223 -0.061 0.000 2.017 136 L HA 0.123 4.459 4.340 -0.008 0.000 0.208 136 L C 2.766 179.559 176.870 -0.129 0.000 1.073 136 L CA 2.503 57.219 54.840 -0.206 0.000 0.745 136 L CB -1.093 40.808 42.059 -0.265 0.000 0.894 136 L HN 0.167 nan 8.230 nan 0.000 0.432 137 G N -1.183 107.602 108.800 -0.026 0.000 2.403 137 G HA2 -0.239 3.717 3.960 -0.008 0.000 0.216 137 G HA3 -0.239 3.717 3.960 -0.008 0.000 0.216 137 G C 1.764 176.731 174.900 0.112 0.000 1.154 137 G CA 0.400 45.510 45.100 0.017 0.000 0.784 137 G HN 0.231 nan 8.290 nan 0.000 0.538 138 R N 0.108 120.708 120.500 0.166 0.000 2.092 138 R HA 0.091 4.426 4.340 -0.008 0.000 0.231 138 R C 2.442 178.744 176.300 0.003 0.000 1.119 138 R CA 0.712 56.884 56.100 0.121 0.000 0.970 138 R CB -0.967 29.372 30.300 0.064 0.000 0.864 138 R HN 0.393 nan 8.270 nan 0.000 0.440 139 L N 0.712 121.863 121.223 -0.120 0.000 2.042 139 L HA -0.079 4.257 4.340 -0.008 0.000 0.210 139 L C 2.177 178.738 176.870 -0.514 0.000 1.076 139 L CA 2.203 56.817 54.840 -0.377 0.000 0.749 139 L CB -0.764 41.035 42.059 -0.434 0.000 0.893 139 L HN 0.185 nan 8.230 nan 0.000 0.432 140 A N -0.689 121.978 122.820 -0.254 0.000 1.933 140 A HA -0.111 4.204 4.320 -0.008 0.000 0.218 140 A C 2.440 180.080 177.584 0.094 0.000 1.175 140 A CA 1.769 53.736 52.037 -0.116 0.000 0.628 140 A CB -1.100 17.802 19.000 -0.164 0.000 0.814 140 A HN 0.564 nan 8.150 nan 0.000 0.444 141 A N -1.027 121.877 122.820 0.140 0.000 1.873 141 A HA -0.157 4.158 4.320 -0.008 0.000 0.215 141 A C 2.308 179.970 177.584 0.129 0.000 1.186 141 A CA 1.647 53.796 52.037 0.186 0.000 0.616 141 A CB -1.261 17.836 19.000 0.161 0.000 0.823 141 A HN 0.591 nan 8.150 nan 0.000 0.442 142 C N -1.453 117.918 119.300 0.119 0.000 2.425 142 C HA -0.052 4.403 4.460 -0.008 0.000 0.277 142 C C 2.429 177.582 174.990 0.272 0.000 1.280 142 C CA 0.564 59.692 59.018 0.184 0.000 1.744 142 C CB -1.606 26.261 27.740 0.211 0.000 1.989 142 C HN 0.604 nan 8.230 nan 0.000 0.491 143 F N 1.250 121.184 119.950 -0.027 0.000 2.134 143 F HA -0.073 4.448 4.527 -0.008 0.000 0.299 143 F C 2.243 177.984 175.800 -0.099 0.000 1.097 143 F CA 1.022 58.953 58.000 -0.114 0.000 1.264 143 F CB -1.398 37.400 39.000 -0.337 0.000 1.001 143 F HN 0.198 nan 8.300 nan 0.000 0.479 144 L N -0.411 120.889 121.223 0.128 0.000 2.042 144 L HA -0.251 4.085 4.340 -0.008 0.000 0.210 144 L C 2.146 179.027 176.870 0.018 0.000 1.076 144 L CA 1.947 56.816 54.840 0.048 0.000 0.749 144 L CB -0.794 41.296 42.059 0.051 0.000 0.893 144 L HN 0.108 nan 8.230 nan 0.000 0.432 145 D N -0.430 119.992 120.400 0.036 0.000 2.097 145 D HA -0.170 4.466 4.640 -0.008 0.000 0.195 145 D C 2.213 178.528 176.300 0.025 0.000 0.989 145 D CA 1.471 55.478 54.000 0.012 0.000 0.827 145 D CB 0.207 41.015 40.800 0.012 0.000 0.966 145 D HN 0.075 nan 8.370 nan 0.000 0.456 146 S N -0.720 115.011 115.700 0.052 0.000 2.383 146 S HA -0.096 4.370 4.470 -0.008 0.000 0.227 146 S C 1.987 176.595 174.600 0.014 0.000 1.026 146 S CA 0.835 59.056 58.200 0.034 0.000 0.981 146 S CB -0.212 63.011 63.200 0.038 0.000 0.818 146 S HN 0.345 nan 8.310 nan 0.000 0.472 147 M N 0.944 120.545 119.600 0.002 0.000 2.159 147 M HA -0.087 4.388 4.480 -0.008 0.000 0.263 147 M C 2.423 178.721 176.300 -0.003 0.000 1.063 147 M CA 1.386 56.684 55.300 -0.003 0.000 1.110 147 M CB -0.493 32.087 32.600 -0.034 0.000 1.374 147 M HN 0.392 nan 8.290 nan 0.000 0.411 148 A N -0.351 122.464 122.820 -0.008 0.000 1.929 148 A HA -0.094 4.221 4.320 -0.008 0.000 0.216 148 A C 2.155 179.750 177.584 0.019 0.000 1.176 148 A CA 1.818 53.853 52.037 -0.003 0.000 0.628 148 A CB -0.949 18.033 19.000 -0.030 0.000 0.816 148 A HN 0.403 nan 8.150 nan 0.000 0.444 149 T N 0.246 114.816 114.554 0.027 0.000 2.915 149 T HA 0.037 4.382 4.350 -0.008 0.000 0.269 149 T C 1.254 175.981 174.700 0.045 0.000 1.071 149 T CA 0.929 63.059 62.100 0.050 0.000 1.132 149 T CB -0.240 68.665 68.868 0.063 0.000 0.878 149 T HN 0.330 nan 8.240 nan 0.000 0.479 150 L N 0.563 121.809 121.223 0.037 0.000 2.685 150 L HA 0.305 4.640 4.340 -0.008 0.000 0.233 150 L C 1.577 178.477 176.870 0.049 0.000 1.173 150 L CA -0.161 54.703 54.840 0.041 0.000 0.961 150 L CB -0.413 41.669 42.059 0.038 0.000 1.217 150 L HN 0.373 nan 8.230 nan 0.000 0.478 151 G N 1.223 110.055 108.800 0.054 0.000 2.283 151 G HA2 -0.291 3.664 3.960 -0.008 0.000 0.280 151 G HA3 -0.291 3.664 3.960 -0.008 0.000 0.280 151 G C 0.111 175.060 174.900 0.083 0.000 1.029 151 G CA 0.133 45.283 45.100 0.083 0.000 0.840 151 G HN 0.299 nan 8.290 nan 0.000 0.505 152 L N -0.254 120.986 121.223 0.028 0.000 2.334 152 L HA 0.605 4.940 4.340 -0.008 0.000 0.277 152 L C 1.195 177.945 176.870 -0.199 0.000 1.075 152 L CA -0.384 54.424 54.840 -0.052 0.000 0.804 152 L CB 1.625 43.664 42.059 -0.034 0.000 1.174 152 L HN 0.251 nan 8.230 nan 0.000 0.438 153 A N 3.086 125.646 122.820 -0.433 0.000 3.037 153 A HA 0.561 4.876 4.320 -0.008 0.000 0.272 153 A C 0.308 177.522 177.584 -0.616 0.000 1.723 153 A CA -0.187 51.292 52.037 -0.930 0.000 1.413 153 A CB -0.639 17.684 19.000 -1.130 0.000 1.112 153 A HN 0.690 nan 8.150 nan 0.000 0.606 154 A N 1.286 123.798 122.820 -0.514 0.000 2.325 154 A HA 0.794 5.109 4.320 -0.008 0.000 0.333 154 A C -0.990 176.301 177.584 -0.488 0.000 1.155 154 A CA -0.442 51.354 52.037 -0.403 0.000 0.814 154 A CB 0.697 19.543 19.000 -0.258 0.000 1.206 154 A HN 0.610 nan 8.150 nan 0.000 0.482 155 Y N 0.195 120.421 120.300 -0.123 0.000 2.391 155 Y HA 0.537 5.083 4.550 -0.008 0.000 0.341 155 Y C 0.822 176.782 175.900 0.100 0.000 0.965 155 Y CA -0.506 57.584 58.100 -0.017 0.000 1.067 155 Y CB 2.419 40.946 38.460 0.112 0.000 1.199 155 Y HN 0.834 nan 8.280 nan 0.000 0.450 156 G N 2.112 110.967 108.800 0.091 0.000 2.338 156 G HA2 0.460 4.415 3.960 -0.008 0.000 0.298 156 G HA3 0.460 4.415 3.960 -0.008 0.000 0.298 156 G C -1.810 173.085 174.900 -0.008 0.000 1.140 156 G CA -0.277 44.917 45.100 0.156 0.000 0.860 156 G HN 0.510 nan 8.290 nan 0.000 0.470 157 Y N 1.062 121.592 120.300 0.383 0.000 2.350 157 Y HA 0.626 5.172 4.550 -0.008 0.000 0.338 157 Y C 0.740 176.942 175.900 0.504 0.000 0.961 157 Y CA 0.175 58.467 58.100 0.321 0.000 1.100 157 Y CB 2.596 41.267 38.460 0.351 0.000 1.179 157 Y HN 0.873 nan 8.280 nan 0.000 0.454 158 G N 2.408 111.528 108.800 0.533 0.000 2.753 158 G HA2 0.607 4.562 3.960 -0.008 0.000 0.303 158 G HA3 0.607 4.562 3.960 -0.008 0.000 0.303 158 G C -1.707 173.423 174.900 0.385 0.000 1.242 158 G CA -0.813 44.627 45.100 0.567 0.000 0.810 158 G HN 0.411 nan 8.290 nan 0.000 0.515 159 I N 0.484 121.178 120.570 0.206 0.000 2.474 159 I HA 0.440 4.605 4.170 -0.008 0.000 0.294 159 I C 0.189 176.205 176.117 -0.167 0.000 1.005 159 I CA -0.741 60.566 61.300 0.011 0.000 1.113 159 I CB 2.314 40.149 38.000 -0.275 0.000 1.289 159 I HN 0.374 nan 8.210 nan 0.000 0.436 160 R N 5.960 126.464 120.500 0.006 0.000 2.608 160 R HA 0.244 4.579 4.340 -0.008 0.000 0.277 160 R C -1.274 175.083 176.300 0.096 0.000 1.341 160 R CA -0.429 55.712 56.100 0.068 0.000 1.199 160 R CB -0.038 30.279 30.300 0.028 0.000 1.156 160 R HN 0.393 nan 8.270 nan 0.000 0.558 161 Y N 1.473 121.934 120.300 0.268 0.000 2.511 161 Y HA -0.067 4.478 4.550 -0.008 0.000 0.332 161 Y C 1.567 177.646 175.900 0.299 0.000 1.177 161 Y CA 0.039 58.288 58.100 0.250 0.000 1.422 161 Y CB 0.847 39.432 38.460 0.209 0.000 1.271 161 Y HN 0.589 nan 8.280 nan 0.000 0.550 162 E N 2.046 122.438 120.200 0.320 0.000 2.107 162 E HA -0.060 4.285 4.350 -0.008 0.000 0.191 162 E C -0.736 175.755 176.600 -0.182 0.000 0.982 162 E CA 0.706 57.096 56.400 -0.016 0.000 0.809 162 E CB 0.181 29.786 29.700 -0.159 0.000 0.756 162 E HN 0.497 nan 8.360 nan 0.000 0.459 163 F N -0.273 119.893 119.950 0.360 0.000 2.460 163 F HA 0.431 4.953 4.527 -0.008 0.000 0.341 163 F C 0.764 176.657 175.800 0.155 0.000 1.130 163 F CA -0.855 57.315 58.000 0.284 0.000 0.962 163 F CB 1.828 40.928 39.000 0.166 0.000 1.171 163 F HN -0.107 nan 8.300 nan 0.000 0.436 164 G N 1.874 110.787 108.800 0.189 0.000 2.582 164 G HA2 0.336 4.291 3.960 -0.008 0.000 0.232 164 G HA3 0.336 4.291 3.960 -0.008 0.000 0.232 164 G C -0.501 174.372 174.900 -0.046 0.000 1.458 164 G CA -0.662 44.404 45.100 -0.058 0.000 1.062 164 G HN 0.543 nan 8.290 nan 0.000 0.566 165 I N 0.942 121.410 120.570 -0.169 0.000 2.683 165 I HA 0.220 4.385 4.170 -0.008 0.000 0.286 165 I C 0.513 176.545 176.117 -0.141 0.000 1.175 165 I CA -1.156 60.014 61.300 -0.217 0.000 1.429 165 I CB -0.266 37.508 38.000 -0.378 0.000 1.371 165 I HN 0.329 nan 8.210 nan 0.000 0.569 166 F N 6.427 126.397 119.950 0.033 0.000 2.589 166 F HA 0.261 4.784 4.527 -0.008 0.000 0.352 166 F C 0.450 176.307 175.800 0.095 0.000 1.168 166 F CA -0.545 57.496 58.000 0.069 0.000 1.353 166 F CB -0.292 38.734 39.000 0.044 0.000 1.116 166 F HN 0.428 nan 8.300 nan 0.000 0.608 167 N N 2.435 121.327 118.700 0.321 0.000 2.488 167 N HA 0.057 4.792 4.740 -0.008 0.000 0.274 167 N C -0.850 174.904 175.510 0.407 0.000 1.111 167 N CA -0.286 52.919 53.050 0.257 0.000 0.974 167 N CB 1.220 39.845 38.487 0.229 0.000 1.089 167 N HN 0.762 nan 8.380 nan 0.000 0.465 168 Q N 2.529 122.536 119.800 0.346 0.000 2.274 168 Q HA 0.181 4.516 4.340 -0.008 0.000 0.256 168 Q C -0.966 175.203 176.000 0.282 0.000 0.927 168 Q CA -0.382 55.659 55.803 0.398 0.000 0.939 168 Q CB 0.708 29.687 28.738 0.402 0.000 1.201 168 Q HN 0.225 nan 8.270 nan 0.000 0.426 169 K N 4.096 124.637 120.400 0.234 0.000 2.259 169 K HA 0.488 4.803 4.320 -0.008 0.000 0.249 169 K C -0.717 175.975 176.600 0.155 0.000 0.942 169 K CA -0.881 55.517 56.287 0.186 0.000 0.816 169 K CB 1.630 34.221 32.500 0.151 0.000 1.155 169 K HN 0.634 nan 8.250 nan 0.000 0.428 170 I N 2.380 123.030 120.570 0.134 0.000 2.330 170 I HA 0.227 4.392 4.170 -0.008 0.000 0.289 170 I C -0.341 175.826 176.117 0.082 0.000 1.001 170 I CA -0.634 60.716 61.300 0.083 0.000 1.193 170 I CB 0.791 38.822 38.000 0.052 0.000 1.345 170 I HN 0.396 nan 8.210 nan 0.000 0.461 171 C N 3.914 123.273 119.300 0.099 0.000 2.340 171 C HA 0.593 5.048 4.460 -0.008 0.000 0.323 171 C C 1.173 176.259 174.990 0.159 0.000 1.260 171 C CA -0.398 58.685 59.018 0.109 0.000 1.464 171 C CB 0.594 28.394 27.740 0.099 0.000 2.156 171 C HN 1.088 nan 8.230 nan 0.000 0.476 172 G N 2.408 111.276 108.800 0.114 0.000 2.225 172 G HA2 0.094 4.049 3.960 -0.008 0.000 0.267 172 G HA3 0.094 4.049 3.960 -0.008 0.000 0.267 172 G C 1.101 176.021 174.900 0.033 0.000 1.024 172 G CA 1.040 46.219 45.100 0.132 0.000 0.784 172 G HN 2.403 nan 8.290 nan 0.000 0.507 173 G N -2.985 105.777 108.800 -0.063 0.000 2.179 173 G HA2 -0.284 3.671 3.960 -0.008 0.000 0.260 173 G HA3 -0.284 3.671 3.960 -0.008 0.000 0.260 173 G C 0.328 174.997 174.900 -0.385 0.000 0.977 173 G CA 0.657 45.598 45.100 -0.265 0.000 0.641 173 G HN 1.202 nan 8.290 nan 0.000 0.533 174 W N 0.784 122.023 121.300 -0.101 0.000 2.512 174 W HA 0.668 5.324 4.660 -0.008 0.000 0.335 174 W C 0.594 177.051 176.519 -0.102 0.000 1.088 174 W CA -0.899 56.380 57.345 -0.111 0.000 1.236 174 W CB 0.847 30.259 29.460 -0.081 0.000 1.307 174 W HN 0.252 nan 8.180 nan 0.000 0.567 175 Q N 3.035 122.922 119.800 0.145 0.000 2.304 175 Q HA 0.273 4.608 4.340 -0.008 0.000 0.260 175 Q C -0.640 175.409 176.000 0.081 0.000 0.965 175 Q CA 0.134 55.990 55.803 0.089 0.000 0.898 175 Q CB 0.576 29.359 28.738 0.076 0.000 1.196 175 Q HN 0.321 nan 8.270 nan 0.000 0.402 176 M N 3.105 122.749 119.600 0.074 0.000 2.465 176 M HA 0.399 4.874 4.480 -0.008 0.000 0.316 176 M C -1.158 175.149 176.300 0.012 0.000 1.121 176 M CA -0.674 54.640 55.300 0.024 0.000 0.934 176 M CB 1.860 34.488 32.600 0.047 0.000 1.692 176 M HN 0.629 nan 8.290 nan 0.000 0.444 177 E N 1.614 121.755 120.200 -0.099 0.000 2.191 177 E HA 0.555 4.900 4.350 -0.008 0.000 0.274 177 E C -0.755 175.840 176.600 -0.008 0.000 0.948 177 E CA -0.648 55.667 56.400 -0.142 0.000 0.802 177 E CB 1.870 31.221 29.700 -0.581 0.000 1.137 177 E HN 0.533 nan 8.360 nan 0.000 0.397 178 E N 0.653 120.926 120.200 0.122 0.000 2.356 178 E HA 0.689 5.035 4.350 -0.008 0.000 0.275 178 E C -1.156 175.544 176.600 0.166 0.000 0.904 178 E CA -1.458 55.007 56.400 0.109 0.000 0.757 178 E CB 1.398 31.170 29.700 0.119 0.000 1.232 178 E HN 0.485 nan 8.360 nan 0.000 0.442 179 A N 2.252 125.132 122.820 0.100 0.000 2.565 179 A HA 0.027 4.342 4.320 -0.008 0.000 0.237 179 A C 0.001 177.773 177.584 0.313 0.000 1.053 179 A CA 0.471 52.590 52.037 0.137 0.000 0.755 179 A CB -0.039 18.934 19.000 -0.046 0.000 0.980 179 A HN 0.671 nan 8.150 nan 0.000 0.506 180 D N 1.706 122.361 120.400 0.425 0.000 2.522 180 D HA 0.206 4.841 4.640 -0.008 0.000 0.218 180 D C -0.408 176.207 176.300 0.524 0.000 1.149 180 D CA -0.218 54.022 54.000 0.400 0.000 0.981 180 D CB 0.261 41.233 40.800 0.288 0.000 1.041 180 D HN 0.412 nan 8.370 nan 0.000 0.518 181 D N 3.429 124.098 120.400 0.448 0.000 2.801 181 D HA -0.026 4.609 4.640 -0.008 0.000 0.232 181 D C 1.284 177.701 176.300 0.195 0.000 1.128 181 D CA -0.550 53.610 54.000 0.266 0.000 1.003 181 D CB -0.185 40.778 40.800 0.272 0.000 1.110 181 D HN 0.512 nan 8.370 nan 0.000 0.477 182 W N 1.785 123.109 121.300 0.039 0.000 2.468 182 W HA -0.061 4.594 4.660 -0.008 0.000 0.262 182 W C 0.025 176.588 176.519 0.072 0.000 1.241 182 W CA 0.187 57.579 57.345 0.079 0.000 1.232 182 W CB -0.721 28.793 29.460 0.090 0.000 1.124 182 W HN 0.214 nan 8.180 nan 0.000 0.597 183 L N 0.801 121.652 121.223 -0.621 0.000 2.607 183 L HA 0.172 4.507 4.340 -0.008 0.000 0.228 183 L C 2.756 179.444 176.870 -0.304 0.000 1.123 183 L CA -0.037 54.408 54.840 -0.659 0.000 0.890 183 L CB -0.634 40.923 42.059 -0.836 0.000 1.103 183 L HN -0.112 nan 8.230 nan 0.000 0.468 184 R N 0.731 121.098 120.500 -0.220 0.000 2.133 184 R HA -0.252 4.083 4.340 -0.008 0.000 0.245 184 R C 1.454 177.544 176.300 -0.350 0.000 1.137 184 R CA 2.255 58.181 56.100 -0.290 0.000 0.947 184 R CB -0.261 29.828 30.300 -0.351 0.000 0.865 184 R HN 0.293 nan 8.270 nan 0.000 0.437 185 Y N -0.464 119.846 120.300 0.017 0.000 2.466 185 Y HA 0.312 4.857 4.550 -0.008 0.000 0.272 185 Y C 0.848 176.736 175.900 -0.020 0.000 1.169 185 Y CA 0.515 58.627 58.100 0.021 0.000 1.285 185 Y CB 0.690 39.261 38.460 0.183 0.000 1.078 185 Y HN 0.462 nan 8.280 nan 0.000 0.523 186 G N 1.247 110.084 108.800 0.062 0.000 2.690 186 G HA2 -0.216 3.739 3.960 -0.008 0.000 0.686 186 G HA3 -0.216 3.739 3.960 -0.008 0.000 0.686 186 G C -1.240 173.737 174.900 0.128 0.000 1.277 186 G CA -0.842 44.272 45.100 0.023 0.000 0.799 186 G HN 0.249 nan 8.290 nan 0.000 0.613 187 N N 1.426 120.139 118.700 0.023 0.000 2.524 187 N HA 0.559 5.294 4.740 -0.008 0.000 0.261 187 N C -0.524 174.979 175.510 -0.012 0.000 0.998 187 N CA -1.945 51.128 53.050 0.039 0.000 0.915 187 N CB 2.034 40.477 38.487 -0.074 0.000 1.187 187 N HN 0.263 nan 8.380 nan 0.000 0.507 188 P HA -0.011 nan 4.420 nan 0.000 0.226 188 P C 0.628 177.574 177.300 -0.589 0.000 1.153 188 P CA 0.793 63.564 63.100 -0.548 0.000 0.777 188 P CB 0.127 31.213 31.700 -1.024 0.000 0.794 189 W N 1.983 123.276 121.300 -0.012 0.000 2.576 189 W HA 0.043 4.698 4.660 -0.008 0.000 0.270 189 W C 1.340 177.885 176.519 0.044 0.000 1.255 189 W CA -0.302 57.034 57.345 -0.014 0.000 1.314 189 W CB -0.319 29.135 29.460 -0.009 0.000 1.101 189 W HN 0.031 nan 8.180 nan 0.000 0.595 190 E N 1.658 122.017 120.200 0.265 0.000 2.318 190 E HA 0.344 4.689 4.350 -0.008 0.000 0.265 190 E C -0.609 176.153 176.600 0.271 0.000 1.069 190 E CA -0.754 55.817 56.400 0.285 0.000 0.893 190 E CB 1.305 31.187 29.700 0.304 0.000 1.076 190 E HN -0.328 nan 8.360 nan 0.000 0.414 191 K N 1.419 121.996 120.400 0.295 0.000 2.579 191 K HA 0.423 4.738 4.320 -0.008 0.000 0.250 191 K C -1.260 175.372 176.600 0.053 0.000 0.952 191 K CA -0.477 55.923 56.287 0.189 0.000 0.857 191 K CB 1.594 34.215 32.500 0.202 0.000 1.123 191 K HN 0.672 nan 8.250 nan 0.000 0.433 192 A N 3.988 126.755 122.820 -0.088 0.000 2.462 192 A HA 0.410 4.725 4.320 -0.008 0.000 0.243 192 A C -0.252 177.179 177.584 -0.254 0.000 1.076 192 A CA -0.160 51.579 52.037 -0.497 0.000 0.773 192 A CB 0.252 18.945 19.000 -0.511 0.000 1.010 192 A HN 0.663 nan 8.150 nan 0.000 0.493 193 R N 2.858 123.207 120.500 -0.251 0.000 2.782 193 R HA 0.196 4.531 4.340 -0.008 0.000 0.293 193 R C -2.343 173.955 176.300 -0.004 0.000 1.333 193 R CA -1.626 54.464 56.100 -0.016 0.000 1.479 193 R CB 0.597 31.000 30.300 0.171 0.000 1.306 193 R HN 0.601 nan 8.270 nan 0.000 0.654 194 P HA -0.206 nan 4.420 nan 0.000 0.220 194 P C 0.830 178.096 177.300 -0.058 0.000 1.144 194 P CA 1.214 64.284 63.100 -0.050 0.000 0.800 194 P CB 0.382 32.044 31.700 -0.062 0.000 0.772 195 E N -0.301 119.802 120.200 -0.161 0.000 2.338 195 E HA -0.134 4.211 4.350 -0.008 0.000 0.197 195 E C 0.800 177.146 176.600 -0.422 0.000 1.007 195 E CA 0.848 57.046 56.400 -0.338 0.000 0.849 195 E CB -0.909 28.467 29.700 -0.539 0.000 0.774 195 E HN 0.306 nan 8.360 nan 0.000 0.506 196 F N 1.918 121.879 119.950 0.018 0.000 2.668 196 F HA 0.239 4.761 4.527 -0.008 0.000 0.297 196 F C 0.501 176.388 175.800 0.145 0.000 1.124 196 F CA -0.319 57.722 58.000 0.068 0.000 1.353 196 F CB 0.275 39.310 39.000 0.059 0.000 0.992 196 F HN -0.292 nan 8.300 nan 0.000 0.524 197 T N 2.655 117.341 114.554 0.219 0.000 2.940 197 T HA 0.285 4.630 4.350 -0.008 0.000 0.309 197 T C -0.201 174.595 174.700 0.160 0.000 1.056 197 T CA 0.377 62.608 62.100 0.218 0.000 1.137 197 T CB 0.591 69.537 68.868 0.130 0.000 0.976 197 T HN -0.161 nan 8.240 nan 0.000 0.547 198 L N 5.448 126.737 121.223 0.110 0.000 2.354 198 L HA 0.578 4.913 4.340 -0.008 0.000 0.264 198 L C -2.208 174.607 176.870 -0.091 0.000 1.008 198 L CA -2.374 52.455 54.840 -0.019 0.000 0.819 198 L CB 1.974 43.962 42.059 -0.119 0.000 1.339 198 L HN 0.389 nan 8.230 nan 0.000 0.420 199 P HA 0.393 nan 4.420 nan 0.000 0.288 199 P C -1.296 175.837 177.300 -0.278 0.000 1.267 199 P CA -0.426 62.568 63.100 -0.176 0.000 0.815 199 P CB 1.996 33.589 31.700 -0.180 0.000 0.989 200 V N 3.880 123.618 119.914 -0.293 0.000 2.604 200 V HA 0.327 4.442 4.120 -0.008 0.000 0.305 200 V C 0.192 176.027 176.094 -0.432 0.000 1.043 200 V CA -0.623 61.487 62.300 -0.317 0.000 0.888 200 V CB 1.508 33.223 31.823 -0.180 0.000 0.995 200 V HN 0.610 nan 8.190 nan 0.000 0.429 201 H N 3.773 122.672 119.070 -0.285 0.000 2.463 201 H HA 0.627 5.178 4.556 -0.008 0.000 0.332 201 H C -1.264 173.767 175.328 -0.496 0.000 1.127 201 H CA -0.147 55.648 56.048 -0.421 0.000 1.238 201 H CB 1.866 31.114 29.762 -0.855 0.000 1.478 201 H HN 0.479 nan 8.280 nan 0.000 0.499 202 F N 0.263 120.258 119.950 0.075 0.000 2.613 202 F HA 0.203 4.725 4.527 -0.008 0.000 0.314 202 F C -0.257 175.641 175.800 0.163 0.000 1.075 202 F CA -0.562 57.479 58.000 0.069 0.000 0.945 202 F CB 1.107 40.049 39.000 -0.097 0.000 1.310 202 F HN 0.536 nan 8.300 nan 0.000 0.467 203 Y N 0.266 120.866 120.300 0.500 0.000 2.896 203 Y HA -0.026 4.520 4.550 -0.008 0.000 0.466 203 Y C 1.381 177.539 175.900 0.430 0.000 1.197 203 Y CA 0.710 59.025 58.100 0.359 0.000 2.513 203 Y CB -1.918 36.684 38.460 0.237 0.000 1.232 203 Y HN 1.291 nan 8.280 nan 0.000 0.632 204 G N 0.706 109.788 108.800 0.470 0.000 2.598 204 G HA2 0.099 4.055 3.960 -0.008 0.000 0.244 204 G HA3 0.099 4.055 3.960 -0.008 0.000 0.244 204 G C -0.536 174.578 174.900 0.357 0.000 1.302 204 G CA 1.023 46.322 45.100 0.332 0.000 0.903 204 G HN 1.386 nan 8.290 nan 0.000 0.575 205 R N -2.577 118.130 120.500 0.345 0.000 2.716 205 R HA 0.675 5.010 4.340 -0.008 0.000 0.271 205 R C -1.344 175.078 176.300 0.204 0.000 1.028 205 R CA -0.976 55.261 56.100 0.227 0.000 0.883 205 R CB 1.221 31.603 30.300 0.136 0.000 1.250 205 R HN 0.886 nan 8.270 nan 0.000 0.465 206 V N 0.874 120.819 119.914 0.052 0.000 2.439 206 V HA 0.343 4.458 4.120 -0.008 0.000 0.282 206 V C -0.119 175.886 176.094 -0.148 0.000 1.039 206 V CA -0.418 61.836 62.300 -0.077 0.000 0.913 206 V CB 1.282 32.983 31.823 -0.203 0.000 0.983 206 V HN 0.719 nan 8.190 nan 0.000 0.460 207 E N 2.863 122.961 120.200 -0.171 0.000 2.176 207 E HA 0.387 4.732 4.350 -0.008 0.000 0.267 207 E C -1.100 175.362 176.600 -0.230 0.000 0.893 207 E CA -0.729 55.591 56.400 -0.134 0.000 0.761 207 E CB 0.867 30.548 29.700 -0.031 0.000 1.133 207 E HN 0.704 nan 8.360 nan 0.000 0.409 208 H N 2.829 121.913 119.070 0.024 0.000 2.597 208 H HA 0.188 4.739 4.556 -0.008 0.000 0.303 208 H C 0.260 175.597 175.328 0.015 0.000 1.057 208 H CA -0.177 55.881 56.048 0.016 0.000 1.261 208 H CB 1.079 30.846 29.762 0.008 0.000 1.397 208 H HN 0.578 nan 8.280 nan 0.000 0.461 209 T N -0.661 113.960 114.554 0.112 0.000 2.876 209 T HA 0.218 4.563 4.350 -0.008 0.000 0.277 209 T C 1.542 176.281 174.700 0.065 0.000 0.997 209 T CA -0.568 61.575 62.100 0.071 0.000 0.966 209 T CB 0.955 69.849 68.868 0.044 0.000 1.312 209 T HN 0.327 nan 8.240 nan 0.000 0.598 210 S N 0.208 115.935 115.700 0.044 0.000 2.359 210 S HA -0.104 4.361 4.470 -0.008 0.000 0.222 210 S C 0.913 175.535 174.600 0.036 0.000 1.038 210 S CA 1.356 59.576 58.200 0.034 0.000 1.051 210 S CB -0.494 62.722 63.200 0.026 0.000 0.944 210 S HN 0.725 nan 8.310 nan 0.000 0.433 211 Q N 0.291 120.114 119.800 0.037 0.000 2.506 211 Q HA 0.552 4.887 4.340 -0.008 0.000 0.242 211 Q C 0.065 176.092 176.000 0.045 0.000 1.060 211 Q CA 0.378 56.204 55.803 0.037 0.000 0.826 211 Q CB 0.707 29.463 28.738 0.030 0.000 1.169 211 Q HN 0.502 nan 8.270 nan 0.000 0.521 212 G N 1.512 110.348 108.800 0.060 0.000 2.781 212 G HA2 0.080 4.035 3.960 -0.008 0.000 0.683 212 G HA3 0.080 4.035 3.960 -0.008 0.000 0.683 212 G C -0.657 174.295 174.900 0.087 0.000 1.390 212 G CA -0.601 44.543 45.100 0.073 0.000 0.850 212 G HN 0.813 nan 8.290 nan 0.000 0.557 213 A N 0.538 123.408 122.820 0.084 0.000 2.286 213 A HA 0.835 5.150 4.320 -0.008 0.000 0.286 213 A C 0.426 177.991 177.584 -0.032 0.000 1.097 213 A CA 0.064 52.098 52.037 -0.005 0.000 0.821 213 A CB 0.880 19.849 19.000 -0.051 0.000 1.076 213 A HN 0.852 nan 8.150 nan 0.000 0.490 214 K N 0.265 120.627 120.400 -0.064 0.000 2.427 214 K HA 0.241 4.556 4.320 -0.008 0.000 0.252 214 K C -1.873 174.766 176.600 0.065 0.000 0.931 214 K CA -0.379 55.909 56.287 0.003 0.000 0.793 214 K CB 2.243 34.744 32.500 0.002 0.000 1.211 214 K HN 0.699 nan 8.250 nan 0.000 0.426 215 W N 5.154 126.376 121.300 -0.131 0.000 2.308 215 W HA 0.368 5.023 4.660 -0.008 0.000 0.311 215 W C -0.720 175.732 176.519 -0.112 0.000 1.088 215 W CA -0.818 56.452 57.345 -0.125 0.000 1.309 215 W CB 0.209 29.583 29.460 -0.144 0.000 1.229 215 W HN 0.358 nan 8.180 nan 0.000 0.427 216 V N 2.584 122.565 119.914 0.112 0.000 3.155 216 V HA 0.599 4.714 4.120 -0.008 0.000 0.313 216 V C 0.060 176.143 176.094 -0.018 0.000 1.162 216 V CA -0.878 61.403 62.300 -0.032 0.000 1.048 216 V CB 1.941 33.768 31.823 0.007 0.000 1.092 216 V HN 0.473 nan 8.190 nan 0.000 0.447 217 D N 0.385 120.771 120.400 -0.023 0.000 2.772 217 D HA -0.145 4.490 4.640 -0.008 0.000 0.233 217 D C 0.557 176.876 176.300 0.031 0.000 1.143 217 D CA 1.462 55.472 54.000 0.018 0.000 0.700 217 D CB -1.325 39.506 40.800 0.051 0.000 1.076 217 D HN 1.255 nan 8.370 nan 0.000 0.430 218 T N -2.700 111.825 114.554 -0.049 0.000 2.874 218 T HA 0.484 4.829 4.350 -0.008 0.000 0.281 218 T C 0.402 175.174 174.700 0.120 0.000 0.994 218 T CA -0.718 61.374 62.100 -0.014 0.000 1.015 218 T CB 2.186 70.857 68.868 -0.328 0.000 1.028 218 T HN 0.014 nan 8.240 nan 0.000 0.523 219 Q N 0.770 120.715 119.800 0.241 0.000 2.257 219 Q HA 0.553 4.888 4.340 -0.008 0.000 0.255 219 Q C -0.914 175.233 176.000 0.244 0.000 0.920 219 Q CA -0.887 55.084 55.803 0.281 0.000 0.927 219 Q CB 1.949 30.934 28.738 0.412 0.000 1.229 219 Q HN 0.511 nan 8.270 nan 0.000 0.433 220 V N 3.085 123.100 119.914 0.167 0.000 2.427 220 V HA 0.402 4.517 4.120 -0.008 0.000 0.286 220 V C -0.235 175.920 176.094 0.102 0.000 1.034 220 V CA -0.614 61.702 62.300 0.027 0.000 0.893 220 V CB 1.695 33.480 31.823 -0.063 0.000 0.982 220 V HN 0.487 nan 8.190 nan 0.000 0.452 221 V N 5.924 125.900 119.914 0.103 0.000 2.588 221 V HA 0.461 4.576 4.120 -0.008 0.000 0.304 221 V C -0.196 175.975 176.094 0.127 0.000 1.042 221 V CA -0.590 61.786 62.300 0.127 0.000 0.877 221 V CB 1.924 33.904 31.823 0.262 0.000 0.996 221 V HN 0.642 nan 8.190 nan 0.000 0.425 222 L N 3.737 125.025 121.223 0.107 0.000 2.350 222 L HA 0.711 5.047 4.340 -0.008 0.000 0.275 222 L C 0.514 177.550 176.870 0.278 0.000 1.099 222 L CA -0.292 54.624 54.840 0.126 0.000 0.808 222 L CB 1.273 43.386 42.059 0.090 0.000 1.149 222 L HN 0.750 nan 8.230 nan 0.000 0.442 223 A N 5.215 128.152 122.820 0.196 0.000 2.267 223 A HA 0.557 4.873 4.320 -0.008 0.000 0.315 223 A C -0.438 177.411 177.584 0.441 0.000 1.297 223 A CA -0.472 51.715 52.037 0.250 0.000 0.865 223 A CB 0.831 19.543 19.000 -0.480 0.000 1.165 223 A HN 0.791 nan 8.150 nan 0.000 0.513 224 M N 6.306 126.218 119.600 0.519 0.000 2.113 224 M HA 0.428 4.903 4.480 -0.008 0.000 0.352 224 M C -2.539 174.021 176.300 0.433 0.000 1.170 224 M CA -2.088 53.462 55.300 0.416 0.000 1.053 224 M CB 1.908 34.682 32.600 0.290 0.000 1.601 224 M HN 0.375 nan 8.290 nan 0.000 0.459 225 P HA 0.243 nan 4.420 nan 0.000 0.286 225 P C -1.952 175.263 177.300 -0.142 0.000 1.261 225 P CA -0.116 62.876 63.100 -0.181 0.000 0.821 225 P CB 0.727 32.085 31.700 -0.571 0.000 1.013 226 Y N 0.543 120.763 120.300 -0.134 0.000 2.338 226 Y HA 0.308 4.853 4.550 -0.008 0.000 0.333 226 Y C 0.115 175.988 175.900 -0.046 0.000 0.968 226 Y CA -0.290 57.795 58.100 -0.025 0.000 1.123 226 Y CB 1.473 39.953 38.460 0.034 0.000 1.165 226 Y HN 0.217 nan 8.280 nan 0.000 0.452 227 D N 1.975 122.463 120.400 0.147 0.000 2.193 227 D HA 0.423 5.059 4.640 -0.008 0.000 0.244 227 D C -0.604 175.901 176.300 0.341 0.000 1.064 227 D CA -0.225 53.899 54.000 0.206 0.000 0.845 227 D CB 1.793 42.739 40.800 0.243 0.000 1.148 227 D HN 0.360 nan 8.370 nan 0.000 0.464 228 T N 3.147 117.809 114.554 0.180 0.000 2.824 228 T HA 0.465 4.811 4.350 -0.008 0.000 0.282 228 T C -2.526 172.009 174.700 -0.275 0.000 0.993 228 T CA -1.440 60.671 62.100 0.018 0.000 0.967 228 T CB 2.092 70.969 68.868 0.015 0.000 0.960 228 T HN 0.181 nan 8.240 nan 0.000 0.441 229 P HA 0.323 nan 4.420 nan 0.000 0.275 229 P C -1.031 175.938 177.300 -0.552 0.000 1.227 229 P CA -0.399 62.033 63.100 -1.113 0.000 0.781 229 P CB 0.911 31.703 31.700 -1.514 0.000 0.906 230 V N 5.071 124.720 119.914 -0.441 0.000 2.340 230 V HA 0.259 4.374 4.120 -0.008 0.000 0.277 230 V C -2.025 173.933 176.094 -0.226 0.000 1.017 230 V CA -1.881 60.255 62.300 -0.273 0.000 0.820 230 V CB 1.405 33.115 31.823 -0.189 0.000 1.028 230 V HN 0.557 nan 8.190 nan 0.000 0.436 231 P HA 0.271 nan 4.420 nan 0.000 0.280 231 P C 0.335 177.582 177.300 -0.089 0.000 1.244 231 P CA 0.299 63.309 63.100 -0.151 0.000 0.784 231 P CB 1.807 33.414 31.700 -0.155 0.000 0.913 232 G N 2.238 111.003 108.800 -0.057 0.000 2.616 232 G HA2 0.144 4.099 3.960 -0.008 0.000 0.268 232 G HA3 0.144 4.099 3.960 -0.008 0.000 0.268 232 G C -1.195 173.715 174.900 0.016 0.000 1.213 232 G CA -0.615 44.480 45.100 -0.008 0.000 0.926 232 G HN 0.526 nan 8.290 nan 0.000 0.523 233 Y N 0.407 120.667 120.300 -0.065 0.000 2.584 233 Y HA 0.282 4.826 4.550 -0.008 0.000 0.351 233 Y C 1.219 177.081 175.900 -0.063 0.000 1.030 233 Y CA -0.245 57.812 58.100 -0.071 0.000 1.332 233 Y CB 0.157 38.574 38.460 -0.072 0.000 1.148 233 Y HN 0.692 nan 8.280 nan 0.000 0.528 234 R N 2.730 122.915 120.500 -0.525 0.000 3.610 234 R HA -0.320 4.015 4.340 -0.008 0.000 0.274 234 R C 0.029 176.193 176.300 -0.227 0.000 1.123 234 R CA 1.503 57.333 56.100 -0.451 0.000 0.747 234 R CB -1.901 27.979 30.300 -0.700 0.000 1.149 234 R HN 0.941 nan 8.270 nan 0.000 0.471 235 N N -1.347 117.270 118.700 -0.137 0.000 2.177 235 N HA 0.067 4.802 4.740 -0.008 0.000 0.218 235 N C -0.223 175.240 175.510 -0.078 0.000 1.182 235 N CA -0.329 52.671 53.050 -0.082 0.000 0.882 235 N CB 0.515 38.979 38.487 -0.037 0.000 1.052 235 N HN 0.083 nan 8.380 nan 0.000 0.519 236 N N -0.187 118.461 118.700 -0.087 0.000 2.753 236 N HA -0.134 4.601 4.740 -0.008 0.000 0.251 236 N C -0.939 174.528 175.510 -0.070 0.000 1.097 236 N CA 0.563 53.569 53.050 -0.073 0.000 0.786 236 N CB -1.257 37.187 38.487 -0.072 0.000 1.137 236 N HN 0.188 nan 8.380 nan 0.000 0.566 237 V N 1.150 121.026 119.914 -0.063 0.000 2.509 237 V HA 0.464 4.579 4.120 -0.008 0.000 0.284 237 V C 0.550 176.615 176.094 -0.048 0.000 1.047 237 V CA -0.469 61.800 62.300 -0.050 0.000 0.952 237 V CB 2.175 33.992 31.823 -0.010 0.000 0.988 237 V HN -0.039 nan 8.190 nan 0.000 0.469 238 V N 5.414 125.306 119.914 -0.036 0.000 2.462 238 V HA 0.425 4.541 4.120 -0.008 0.000 0.288 238 V C -0.128 175.961 176.094 -0.008 0.000 1.020 238 V CA -0.877 61.376 62.300 -0.078 0.000 0.857 238 V CB 1.458 33.219 31.823 -0.104 0.000 1.013 238 V HN 0.844 nan 8.190 nan 0.000 0.431 239 N N 1.950 120.616 118.700 -0.056 0.000 2.418 239 N HA 0.571 5.306 4.740 -0.008 0.000 0.283 239 N C -0.016 175.477 175.510 -0.029 0.000 1.267 239 N CA -0.279 52.757 53.050 -0.024 0.000 0.975 239 N CB 1.147 39.574 38.487 -0.100 0.000 1.167 239 N HN 0.577 nan 8.380 nan 0.000 0.581 240 T N 0.660 115.201 114.554 -0.021 0.000 2.863 240 T HA 0.445 4.790 4.350 -0.008 0.000 0.285 240 T C -0.294 174.365 174.700 -0.069 0.000 1.009 240 T CA -0.534 61.615 62.100 0.081 0.000 0.989 240 T CB 1.246 70.288 68.868 0.290 0.000 1.004 240 T HN 0.333 nan 8.240 nan 0.000 0.455 241 M N 3.561 123.088 119.600 -0.122 0.000 2.078 241 M HA 0.520 4.995 4.480 -0.008 0.000 0.320 241 M C -0.647 175.495 176.300 -0.263 0.000 0.969 241 M CA -0.742 54.394 55.300 -0.273 0.000 0.929 241 M CB 0.878 33.268 32.600 -0.351 0.000 1.504 241 M HN 0.499 nan 8.290 nan 0.000 0.419 242 R N 5.846 126.087 120.500 -0.432 0.000 2.265 242 R HA 0.628 4.963 4.340 -0.008 0.000 0.328 242 R C -1.933 174.094 176.300 -0.455 0.000 0.969 242 R CA -0.434 55.376 56.100 -0.484 0.000 0.832 242 R CB 0.915 30.765 30.300 -0.749 0.000 1.139 242 R HN 0.825 nan 8.270 nan 0.000 0.457 243 L N 5.148 126.199 121.223 -0.286 0.000 2.322 243 L HA 0.493 4.828 4.340 -0.008 0.000 0.281 243 L C -0.785 176.029 176.870 -0.094 0.000 1.014 243 L CA -0.928 53.838 54.840 -0.124 0.000 0.815 243 L CB 1.406 43.477 42.059 0.021 0.000 1.247 243 L HN 0.592 nan 8.230 nan 0.000 0.421 244 W N 1.827 123.239 121.300 0.188 0.000 2.376 244 W HA 0.483 5.138 4.660 -0.008 0.000 0.322 244 W C 0.531 177.262 176.519 0.353 0.000 1.160 244 W CA -0.200 57.272 57.345 0.212 0.000 1.218 244 W CB 1.409 30.842 29.460 -0.044 0.000 1.205 244 W HN 0.333 nan 8.180 nan 0.000 0.559 245 S N 1.617 117.720 115.700 0.673 0.000 2.500 245 S HA 0.773 5.238 4.470 -0.008 0.000 0.301 245 S C -0.521 174.430 174.600 0.586 0.000 1.092 245 S CA -0.719 57.791 58.200 0.517 0.000 1.030 245 S CB 0.646 64.098 63.200 0.421 0.000 1.031 245 S HN 0.537 nan 8.310 nan 0.000 0.483 246 A N 4.715 127.727 122.820 0.321 0.000 2.366 246 A HA 0.685 5.000 4.320 -0.008 0.000 0.272 246 A C -0.155 177.492 177.584 0.105 0.000 1.135 246 A CA -0.272 51.841 52.037 0.126 0.000 0.804 246 A CB 0.378 19.167 19.000 -0.351 0.000 1.064 246 A HN 0.649 nan 8.150 nan 0.000 0.499 247 K N 0.887 121.353 120.400 0.110 0.000 2.464 247 K HA 0.620 4.935 4.320 -0.008 0.000 0.253 247 K C -0.615 175.959 176.600 -0.044 0.000 0.933 247 K CA -0.412 55.901 56.287 0.044 0.000 0.801 247 K CB 2.294 34.854 32.500 0.100 0.000 1.271 247 K HN 0.843 nan 8.250 nan 0.000 0.430 248 A N 3.974 126.707 122.820 -0.144 0.000 2.316 248 A HA 0.542 4.857 4.320 -0.008 0.000 0.284 248 A C -2.155 175.369 177.584 -0.099 0.000 1.115 248 A CA -1.183 50.676 52.037 -0.297 0.000 0.812 248 A CB -0.111 18.529 19.000 -0.600 0.000 1.064 248 A HN 0.366 nan 8.150 nan 0.000 0.489 249 P HA 0.099 nan 4.420 nan 0.000 0.272 249 P C -0.009 177.362 177.300 0.119 0.000 1.230 249 P CA -0.420 62.721 63.100 0.070 0.000 0.788 249 P CB 0.634 32.399 31.700 0.107 0.000 0.949 250 N N 1.020 119.779 118.700 0.099 0.000 2.453 250 N HA -0.108 4.627 4.740 -0.008 0.000 0.183 250 N C 0.882 176.471 175.510 0.131 0.000 1.041 250 N CA 1.014 54.129 53.050 0.107 0.000 0.900 250 N CB -0.295 38.239 38.487 0.078 0.000 0.961 250 N HN 0.588 nan 8.380 nan 0.000 0.443 251 D N -0.761 119.720 120.400 0.135 0.000 2.328 251 D HA -0.075 4.560 4.640 -0.008 0.000 0.221 251 D C 0.276 176.660 176.300 0.140 0.000 1.072 251 D CA -0.543 53.526 54.000 0.116 0.000 0.850 251 D CB -0.691 40.160 40.800 0.085 0.000 0.922 251 D HN -0.020 nan 8.370 nan 0.000 0.516 252 F N 2.415 122.383 119.950 0.029 0.000 2.623 252 F HA 0.006 4.528 4.527 -0.008 0.000 0.383 252 F C 0.755 176.565 175.800 0.016 0.000 1.077 252 F CA 0.165 58.180 58.000 0.024 0.000 1.268 252 F CB -0.096 38.917 39.000 0.022 0.000 1.053 252 F HN -0.133 nan 8.300 nan 0.000 0.571 253 N N 2.596 120.920 118.700 -0.627 0.000 2.681 253 N HA -0.269 4.466 4.740 -0.008 0.000 0.250 253 N C -0.962 174.450 175.510 -0.163 0.000 1.133 253 N CA 1.358 54.137 53.050 -0.452 0.000 0.732 253 N CB -1.106 37.083 38.487 -0.498 0.000 1.107 253 N HN 0.516 nan 8.380 nan 0.000 0.559 262 Y N 0.774 121.074 120.300 -0.001 0.000 2.097 262 Y HA -0.098 4.447 4.550 -0.008 0.000 0.282 262 Y C 2.732 178.639 175.900 0.012 0.000 1.152 262 Y CA 2.370 60.473 58.100 0.005 0.000 1.136 262 Y CB -0.123 38.341 38.460 0.007 0.000 0.975 262 Y HN 0.245 nan 8.280 nan 0.000 0.498 263 I N 0.558 121.053 120.570 -0.124 0.000 2.118 263 I HA -0.342 3.823 4.170 -0.008 0.000 0.241 263 I C 2.400 178.409 176.117 -0.179 0.000 1.070 263 I CA 1.621 62.797 61.300 -0.207 0.000 1.327 263 I CB -1.463 36.525 38.000 -0.021 0.000 1.034 263 I HN 0.393 nan 8.210 nan 0.000 0.405 264 Q N 0.416 120.162 119.800 -0.090 0.000 2.096 264 Q HA -0.147 4.188 4.340 -0.008 0.000 0.204 264 Q C 2.398 178.354 176.000 -0.075 0.000 0.982 264 Q CA 1.910 57.676 55.803 -0.062 0.000 0.850 264 Q CB -0.400 28.318 28.738 -0.033 0.000 0.901 264 Q HN 0.569 nan 8.270 nan 0.000 0.422 265 A N 0.145 122.902 122.820 -0.104 0.000 1.908 265 A HA -0.149 4.166 4.320 -0.008 0.000 0.218 265 A C 2.427 179.972 177.584 -0.065 0.000 1.181 265 A CA 1.730 53.710 52.037 -0.094 0.000 0.627 265 A CB -0.707 18.237 19.000 -0.093 0.000 0.818 265 A HN 0.226 nan 8.150 nan 0.000 0.445 266 V N 0.198 120.007 119.914 -0.176 0.000 2.295 266 V HA -0.244 3.872 4.120 -0.008 0.000 0.246 266 V C 2.536 178.609 176.094 -0.035 0.000 1.049 266 V CA 1.895 64.116 62.300 -0.132 0.000 1.024 266 V CB -0.772 30.874 31.823 -0.295 0.000 0.648 266 V HN 0.572 nan 8.190 nan 0.000 0.447 267 L N -0.190 121.002 121.223 -0.051 0.000 2.131 267 L HA -0.152 4.183 4.340 -0.008 0.000 0.210 267 L C 1.987 178.881 176.870 0.039 0.000 1.092 267 L CA 1.250 56.085 54.840 -0.008 0.000 0.759 267 L CB -0.705 41.343 42.059 -0.018 0.000 0.903 267 L HN 0.339 nan 8.230 nan 0.000 0.435 268 D N 0.028 120.468 120.400 0.068 0.000 2.378 268 D HA -0.072 4.563 4.640 -0.008 0.000 0.227 268 D C 2.089 178.568 176.300 0.299 0.000 1.012 268 D CA 0.431 54.516 54.000 0.142 0.000 0.905 268 D CB -0.008 40.854 40.800 0.102 0.000 0.895 268 D HN 0.250 nan 8.370 nan 0.000 0.532 269 R N 0.258 120.900 120.500 0.236 0.000 2.152 269 R HA -0.047 4.288 4.340 -0.008 0.000 0.232 269 R C 1.688 177.961 176.300 -0.044 0.000 1.117 269 R CA 0.811 56.971 56.100 0.100 0.000 0.981 269 R CB -0.210 30.114 30.300 0.041 0.000 0.870 269 R HN 0.343 nan 8.270 nan 0.000 0.451 270 N N 0.340 119.055 118.700 0.024 0.000 2.205 270 N HA -0.181 4.554 4.740 -0.008 0.000 0.186 270 N C 1.295 176.805 175.510 -0.001 0.000 1.015 270 N CA 0.620 53.674 53.050 0.007 0.000 0.862 270 N CB -0.087 38.417 38.487 0.028 0.000 0.986 270 N HN 0.011 nan 8.380 nan 0.000 0.429 271 L N 1.253 122.502 121.223 0.044 0.000 2.013 271 L HA -0.211 4.124 4.340 -0.008 0.000 0.212 271 L C 2.442 179.297 176.870 -0.025 0.000 1.073 271 L CA 1.666 56.537 54.840 0.052 0.000 0.753 271 L CB -0.952 41.199 42.059 0.154 0.000 0.890 271 L HN 0.177 nan 8.230 nan 0.000 0.432 272 A N -1.154 121.587 122.820 -0.132 0.000 1.929 272 A HA -0.148 4.167 4.320 -0.008 0.000 0.216 272 A C 2.088 179.550 177.584 -0.202 0.000 1.176 272 A CA 1.275 53.173 52.037 -0.231 0.000 0.628 272 A CB -0.439 18.249 19.000 -0.520 0.000 0.816 272 A HN 0.546 nan 8.150 nan 0.000 0.444 273 E N 0.193 120.296 120.200 -0.162 0.000 2.482 273 E HA -0.071 4.274 4.350 -0.008 0.000 0.196 273 E C 0.882 177.447 176.600 -0.057 0.000 1.047 273 E CA 0.193 56.532 56.400 -0.103 0.000 0.869 273 E CB -0.149 29.516 29.700 -0.058 0.000 0.836 273 E HN 0.456 nan 8.360 nan 0.000 0.520 274 N N 1.060 119.733 118.700 -0.046 0.000 2.453 274 N HA -0.067 4.668 4.740 -0.008 0.000 0.183 274 N C 1.634 177.143 175.510 -0.001 0.000 1.041 274 N CA 0.564 53.616 53.050 0.004 0.000 0.900 274 N CB -0.010 38.484 38.487 0.011 0.000 0.961 274 N HN 0.275 nan 8.380 nan 0.000 0.443 275 I N 0.438 120.946 120.570 -0.103 0.000 2.248 275 I HA -0.245 3.920 4.170 -0.008 0.000 0.248 275 I C 1.433 177.526 176.117 -0.040 0.000 1.107 275 I CA 1.250 62.461 61.300 -0.148 0.000 1.373 275 I CB -0.206 37.528 38.000 -0.443 0.000 1.055 275 I HN 0.127 nan 8.210 nan 0.000 0.418 276 S N -0.524 115.153 115.700 -0.039 0.000 2.574 276 S HA 0.190 4.655 4.470 -0.008 0.000 0.242 276 S C 1.460 176.206 174.600 0.243 0.000 0.982 276 S CA -0.556 57.713 58.200 0.115 0.000 0.977 276 S CB 0.274 63.533 63.200 0.098 0.000 0.814 276 S HN 0.204 nan 8.310 nan 0.000 0.464 277 R N 1.255 121.896 120.500 0.236 0.000 2.062 277 R HA 0.283 4.618 4.340 -0.008 0.000 0.229 277 R C 0.431 176.992 176.300 0.435 0.000 1.128 277 R CA 1.177 57.461 56.100 0.306 0.000 0.960 277 R CB -0.215 30.224 30.300 0.232 0.000 0.855 277 R HN 0.405 nan 8.270 nan 0.000 0.432 278 V N 0.122 120.244 119.914 0.347 0.000 3.012 278 V HA 0.366 4.481 4.120 -0.008 0.000 0.307 278 V C -1.640 174.419 176.094 -0.057 0.000 1.166 278 V CA -1.383 61.046 62.300 0.215 0.000 0.974 278 V CB 1.799 33.676 31.823 0.090 0.000 1.040 278 V HN 0.143 nan 8.190 nan 0.000 0.428 279 L N 6.223 127.192 121.223 -0.424 0.000 2.367 279 L HA 0.495 4.830 4.340 -0.008 0.000 0.275 279 L C -0.893 175.823 176.870 -0.257 0.000 1.129 279 L CA 0.409 54.799 54.840 -0.751 0.000 0.839 279 L CB 0.591 42.136 42.059 -0.857 0.000 1.133 279 L HN 0.687 nan 8.230 nan 0.000 0.453 280 Y N 6.731 126.943 120.300 -0.147 0.000 2.496 280 Y HA 0.205 4.750 4.550 -0.008 0.000 0.334 280 Y C -1.370 174.525 175.900 -0.009 0.000 1.080 280 Y CA -1.301 56.787 58.100 -0.020 0.000 1.355 280 Y CB 0.398 38.870 38.460 0.021 0.000 1.193 280 Y HN 0.566 nan 8.280 nan 0.000 0.523 281 P HA -0.011 nan 4.420 nan 0.000 0.253 281 P C -0.843 176.592 177.300 0.224 0.000 1.508 281 P CA 0.220 63.429 63.100 0.182 0.000 0.883 281 P CB 0.086 31.980 31.700 0.324 0.000 1.519 282 N N 1.266 120.104 118.700 0.231 0.000 2.438 282 N HA 0.178 4.913 4.740 -0.008 0.000 0.282 282 N C -0.714 174.941 175.510 0.242 0.000 1.037 282 N CA 0.045 53.255 53.050 0.268 0.000 0.942 282 N CB 1.262 39.950 38.487 0.336 0.000 1.136 282 N HN 0.068 nan 8.380 nan 0.000 0.481 283 D N 0.794 121.361 120.400 0.278 0.000 2.344 283 D HA 0.212 4.848 4.640 -0.008 0.000 0.239 283 D C -0.311 176.197 176.300 0.347 0.000 1.064 283 D CA -0.336 53.824 54.000 0.267 0.000 0.829 283 D CB 0.311 41.263 40.800 0.252 0.000 1.129 283 D HN 0.310 nan 8.370 nan 0.000 0.506 284 N N 2.965 121.837 118.700 0.286 0.000 2.725 284 N HA -0.250 4.485 4.740 -0.008 0.000 0.251 284 N C -1.375 174.374 175.510 0.398 0.000 1.031 284 N CA 0.758 53.972 53.050 0.274 0.000 0.720 284 N CB -0.770 37.846 38.487 0.215 0.000 0.930 284 N HN 0.376 nan 8.380 nan 0.000 0.543 285 F N 0.542 120.594 119.950 0.169 0.000 2.622 285 F HA 0.414 4.936 4.527 -0.008 0.000 0.318 285 F C -1.380 174.504 175.800 0.141 0.000 1.135 285 F CA -1.113 56.966 58.000 0.133 0.000 1.015 285 F CB 0.908 39.949 39.000 0.069 0.000 1.275 285 F HN -0.020 nan 8.300 nan 0.000 0.457 286 F N 5.718 125.211 119.950 -0.760 0.000 2.410 286 F HA 0.506 5.028 4.527 -0.008 0.000 0.349 286 F C -0.518 174.824 175.800 -0.763 0.000 1.117 286 F CA -0.186 57.441 58.000 -0.622 0.000 1.104 286 F CB 0.848 39.538 39.000 -0.516 0.000 1.122 286 F HN 0.601 nan 8.300 nan 0.000 0.483 287 E N 4.339 123.858 120.200 -1.136 0.000 2.186 287 E HA 0.307 4.652 4.350 -0.008 0.000 0.255 287 E C -0.263 175.572 176.600 -1.274 0.000 0.881 287 E CA -0.760 55.082 56.400 -0.930 0.000 0.752 287 E CB 1.286 30.826 29.700 -0.266 0.000 1.176 287 E HN 0.909 nan 8.360 nan 0.000 0.421 288 G N 5.311 113.279 108.800 -1.385 0.000 3.102 288 G HA2 0.034 3.990 3.960 -0.008 0.000 0.264 288 G HA3 0.034 3.990 3.960 -0.008 0.000 0.264 288 G C -0.092 174.733 174.900 -0.124 0.000 0.788 288 G CA -0.206 44.329 45.100 -0.941 0.000 2.029 288 G HN 0.197 nan 8.290 nan 0.000 0.608 289 K N 0.509 120.903 120.400 -0.011 0.000 2.130 289 K HA 0.201 4.516 4.320 -0.008 0.000 0.268 289 K C 0.975 177.719 176.600 0.239 0.000 0.983 289 K CA -0.703 55.664 56.287 0.134 0.000 0.893 289 K CB 2.231 34.809 32.500 0.129 0.000 1.066 289 K HN 0.431 nan 8.250 nan 0.000 0.450 290 E N 1.573 121.880 120.200 0.179 0.000 2.058 290 E HA -0.224 4.122 4.350 -0.008 0.000 0.194 290 E C 1.553 178.186 176.600 0.055 0.000 0.997 290 E CA 1.140 57.598 56.400 0.096 0.000 0.801 290 E CB 0.141 29.899 29.700 0.097 0.000 0.746 290 E HN 0.399 nan 8.360 nan 0.000 0.450 291 L N 1.420 122.716 121.223 0.122 0.000 2.043 291 L HA -0.203 4.132 4.340 -0.008 0.000 0.212 291 L C 2.474 179.440 176.870 0.159 0.000 1.075 291 L CA 1.946 56.874 54.840 0.147 0.000 0.752 291 L CB -0.575 41.639 42.059 0.259 0.000 0.891 291 L HN 0.024 nan 8.230 nan 0.000 0.432 292 R N -0.657 119.895 120.500 0.085 0.000 2.096 292 R HA -0.158 4.177 4.340 -0.008 0.000 0.235 292 R C 2.111 178.455 176.300 0.073 0.000 1.127 292 R CA 1.841 57.914 56.100 -0.046 0.000 0.968 292 R CB -0.991 29.066 30.300 -0.406 0.000 0.861 292 R HN 0.423 nan 8.270 nan 0.000 0.440 293 L N 0.866 122.048 121.223 -0.069 0.000 2.083 293 L HA -0.064 4.272 4.340 -0.008 0.000 0.209 293 L C 1.675 178.486 176.870 -0.097 0.000 1.083 293 L CA 1.893 56.482 54.840 -0.419 0.000 0.752 293 L CB -0.399 41.128 42.059 -0.885 0.000 0.899 293 L HN 0.153 nan 8.230 nan 0.000 0.433 294 K N -0.953 119.440 120.400 -0.012 0.000 2.097 294 K HA -0.190 4.125 4.320 -0.008 0.000 0.206 294 K C 2.067 178.834 176.600 0.277 0.000 1.049 294 K CA 1.754 58.109 56.287 0.113 0.000 0.933 294 K CB -0.175 32.207 32.500 -0.196 0.000 0.717 294 K HN 0.525 nan 8.250 nan 0.000 0.442 295 Q N 0.646 120.574 119.800 0.213 0.000 2.084 295 Q HA -0.178 4.157 4.340 -0.008 0.000 0.202 295 Q C 1.931 178.129 176.000 0.330 0.000 0.978 295 Q CA 1.360 57.345 55.803 0.304 0.000 0.844 295 Q CB -0.027 28.910 28.738 0.332 0.000 0.898 295 Q HN 0.385 nan 8.270 nan 0.000 0.426 296 E N -0.110 120.238 120.200 0.246 0.000 2.077 296 E HA -0.213 4.132 4.350 -0.008 0.000 0.193 296 E C 1.714 178.425 176.600 0.184 0.000 0.989 296 E CA 1.058 57.584 56.400 0.210 0.000 0.800 296 E CB -0.117 29.685 29.700 0.170 0.000 0.746 296 E HN 0.325 nan 8.360 nan 0.000 0.452 297 Y N 0.247 120.592 120.300 0.074 0.000 2.263 297 Y HA -0.175 4.370 4.550 -0.008 0.000 0.292 297 Y C 1.937 177.865 175.900 0.046 0.000 1.130 297 Y CA 0.856 58.951 58.100 -0.008 0.000 1.179 297 Y CB -0.318 38.098 38.460 -0.072 0.000 0.998 297 Y HN 0.004 nan 8.280 nan 0.000 0.532 298 F N -0.270 119.669 119.950 -0.020 0.000 2.065 298 F HA -0.247 4.275 4.527 -0.008 0.000 0.298 298 F C 2.485 178.132 175.800 -0.254 0.000 1.112 298 F CA 2.013 59.953 58.000 -0.099 0.000 1.212 298 F CB -1.078 38.016 39.000 0.157 0.000 0.975 298 F HN -0.057 nan 8.300 nan 0.000 0.476 299 V N -0.491 119.377 119.914 -0.076 0.000 2.427 299 V HA -0.197 3.918 4.120 -0.008 0.000 0.248 299 V C 2.186 178.118 176.094 -0.270 0.000 1.051 299 V CA 1.937 64.150 62.300 -0.145 0.000 1.048 299 V CB -0.385 31.548 31.823 0.184 0.000 0.666 299 V HN 0.252 nan 8.190 nan 0.000 0.456 300 V N 0.446 120.212 119.914 -0.246 0.000 2.307 300 V HA -0.164 3.951 4.120 -0.008 0.000 0.245 300 V C 2.808 178.637 176.094 -0.442 0.000 1.045 300 V CA 2.083 64.222 62.300 -0.268 0.000 1.024 300 V CB -1.064 30.664 31.823 -0.159 0.000 0.651 300 V HN 0.645 nan 8.190 nan 0.000 0.449 301 A N -0.095 122.295 122.820 -0.716 0.000 1.877 301 A HA -0.096 4.219 4.320 -0.008 0.000 0.216 301 A C 2.406 179.611 177.584 -0.632 0.000 1.186 301 A CA 2.085 53.694 52.037 -0.713 0.000 0.620 301 A CB -0.821 17.547 19.000 -1.052 0.000 0.822 301 A HN 0.556 nan 8.150 nan 0.000 0.443 302 A N -1.084 121.196 122.820 -0.900 0.000 1.898 302 A HA -0.057 4.258 4.320 -0.008 0.000 0.216 302 A C 2.309 179.362 177.584 -0.885 0.000 1.181 302 A CA 2.259 53.575 52.037 -1.202 0.000 0.620 302 A CB -1.244 16.387 19.000 -2.282 0.000 0.819 302 A HN 0.429 nan 8.150 nan 0.000 0.442 303 T N 0.489 114.653 114.554 -0.650 0.000 2.708 303 T HA -0.085 4.260 4.350 -0.008 0.000 0.266 303 T C 1.827 176.243 174.700 -0.473 0.000 1.037 303 T CA 1.427 63.257 62.100 -0.449 0.000 1.146 303 T CB -0.383 68.220 68.868 -0.442 0.000 0.865 303 T HN 0.342 nan 8.240 nan 0.000 0.435 304 L N 0.761 121.760 121.223 -0.373 0.000 2.083 304 L HA -0.167 4.168 4.340 -0.008 0.000 0.209 304 L C 2.919 179.674 176.870 -0.193 0.000 1.083 304 L CA 1.405 56.086 54.840 -0.266 0.000 0.752 304 L CB -0.543 41.401 42.059 -0.192 0.000 0.899 304 L HN 0.369 nan 8.230 nan 0.000 0.433 305 Q N -0.601 119.082 119.800 -0.196 0.000 2.084 305 Q HA -0.245 4.090 4.340 -0.008 0.000 0.202 305 Q C 1.770 177.739 176.000 -0.051 0.000 0.978 305 Q CA 1.660 57.400 55.803 -0.104 0.000 0.844 305 Q CB -0.131 28.531 28.738 -0.126 0.000 0.898 305 Q HN 0.397 nan 8.270 nan 0.000 0.426 306 D N 0.638 120.993 120.400 -0.074 0.000 2.117 306 D HA -0.102 4.533 4.640 -0.008 0.000 0.197 306 D C 1.679 177.933 176.300 -0.077 0.000 0.987 306 D CA 0.874 54.882 54.000 0.014 0.000 0.829 306 D CB -0.021 40.878 40.800 0.165 0.000 0.961 306 D HN 0.164 nan 8.370 nan 0.000 0.460 307 I N 0.137 120.556 120.570 -0.252 0.000 2.179 307 I HA -0.230 3.935 4.170 -0.008 0.000 0.242 307 I C 2.292 178.433 176.117 0.039 0.000 1.088 307 I CA 0.741 61.844 61.300 -0.327 0.000 1.357 307 I CB -0.137 37.509 38.000 -0.590 0.000 1.051 307 I HN 0.040 nan 8.210 nan 0.000 0.409 308 I N 0.299 120.946 120.570 0.129 0.000 2.315 308 I HA -0.283 3.882 4.170 -0.008 0.000 0.248 308 I C 2.757 179.050 176.117 0.293 0.000 1.117 308 I CA 1.122 62.618 61.300 0.328 0.000 1.404 308 I CB -0.420 37.721 38.000 0.236 0.000 1.071 308 I HN 0.205 nan 8.210 nan 0.000 0.419 309 R N 1.339 121.938 120.500 0.164 0.000 2.073 309 R HA -0.214 4.121 4.340 -0.008 0.000 0.234 309 R C 2.514 178.896 176.300 0.137 0.000 1.134 309 R CA 1.692 57.875 56.100 0.138 0.000 0.952 309 R CB -0.258 30.108 30.300 0.110 0.000 0.850 309 R HN 0.178 nan 8.270 nan 0.000 0.433 310 R N -0.600 119.978 120.500 0.130 0.000 2.096 310 R HA -0.171 4.165 4.340 -0.008 0.000 0.235 310 R C 2.118 178.520 176.300 0.170 0.000 1.127 310 R CA 1.688 57.866 56.100 0.130 0.000 0.968 310 R CB -0.394 29.968 30.300 0.104 0.000 0.861 310 R HN 0.310 nan 8.270 nan 0.000 0.440 311 F N 1.502 121.497 119.950 0.077 0.000 2.134 311 F HA -0.113 4.409 4.527 -0.008 0.000 0.299 311 F C 1.651 177.471 175.800 0.034 0.000 1.097 311 F CA 1.591 59.631 58.000 0.066 0.000 1.264 311 F CB -0.023 39.074 39.000 0.161 0.000 1.001 311 F HN -0.120 nan 8.300 nan 0.000 0.479 312 K N -0.383 119.973 120.400 -0.073 0.000 2.211 312 K HA -0.023 4.293 4.320 -0.008 0.000 0.203 312 K C 1.462 177.969 176.600 -0.154 0.000 1.050 312 K CA 1.190 57.349 56.287 -0.212 0.000 0.945 312 K CB -0.251 32.241 32.500 -0.012 0.000 0.732 312 K HN 0.109 nan 8.250 nan 0.000 0.451 313 S N 1.237 116.913 115.700 -0.041 0.000 2.768 313 S HA 0.117 4.582 4.470 -0.008 0.000 0.246 313 S C 0.041 174.664 174.600 0.039 0.000 1.006 313 S CA -0.282 57.935 58.200 0.028 0.000 1.075 313 S CB 0.197 63.456 63.200 0.098 0.000 0.786 313 S HN 0.115 nan 8.310 nan 0.000 0.468 325 N N 0.970 119.611 118.700 -0.098 0.000 3.034 325 N HA 0.254 4.989 4.740 -0.008 0.000 0.265 325 N C -0.144 175.434 175.510 0.113 0.000 1.166 325 N CA -0.126 52.944 53.050 0.034 0.000 1.081 325 N CB -0.047 38.460 38.487 0.033 0.000 1.378 325 N HN 0.117 nan 8.380 nan 0.000 0.520 326 F N 1.023 121.099 119.950 0.210 0.000 2.771 326 F HA 0.003 4.525 4.527 -0.008 0.000 0.299 326 F C 1.332 177.199 175.800 0.112 0.000 1.177 326 F CA 0.414 58.502 58.000 0.146 0.000 1.450 326 F CB 0.184 39.159 39.000 -0.042 0.000 1.114 326 F HN 0.437 nan 8.300 nan 0.000 0.587 327 D N -0.033 120.511 120.400 0.240 0.000 2.219 327 D HA -0.096 4.539 4.640 -0.008 0.000 0.205 327 D C 2.133 178.527 176.300 0.157 0.000 0.970 327 D CA 1.117 55.214 54.000 0.162 0.000 0.851 327 D CB -0.115 40.755 40.800 0.116 0.000 0.943 327 D HN 0.217 nan 8.370 nan 0.000 0.488 328 A N -0.710 122.230 122.820 0.201 0.000 2.275 328 A HA 0.112 4.427 4.320 -0.008 0.000 0.212 328 A C 1.535 179.236 177.584 0.195 0.000 1.201 328 A CA -0.308 51.843 52.037 0.190 0.000 0.843 328 A CB -0.766 18.355 19.000 0.202 0.000 0.873 328 A HN 0.218 nan 8.150 nan 0.000 0.492 329 F N 1.861 121.778 119.950 -0.056 0.000 2.065 329 F HA -0.131 4.391 4.527 -0.008 0.000 0.298 329 F C -0.787 174.905 175.800 -0.180 0.000 1.112 329 F CA 2.455 60.215 58.000 -0.400 0.000 1.212 329 F CB -0.574 38.200 39.000 -0.378 0.000 0.975 329 F HN 0.198 nan 8.300 nan 0.000 0.476 330 P HA -0.112 nan 4.420 nan 0.000 0.222 330 P C 0.740 177.996 177.300 -0.074 0.000 1.147 330 P CA 1.570 64.641 63.100 -0.047 0.000 0.790 330 P CB -0.063 31.635 31.700 -0.003 0.000 0.780 331 D N -0.948 119.432 120.400 -0.033 0.000 2.317 331 D HA -0.034 4.601 4.640 -0.008 0.000 0.211 331 D C 1.457 177.742 176.300 -0.025 0.000 0.966 331 D CA 0.919 54.912 54.000 -0.012 0.000 0.876 331 D CB 0.071 40.886 40.800 0.025 0.000 0.927 331 D HN 0.161 nan 8.370 nan 0.000 0.519 332 K N 0.116 120.479 120.400 -0.062 0.000 2.373 332 K HA 0.218 4.533 4.320 -0.008 0.000 0.200 332 K C -0.011 176.497 176.600 -0.154 0.000 1.054 332 K CA 0.031 56.290 56.287 -0.046 0.000 1.065 332 K CB 2.275 34.853 32.500 0.130 0.000 0.886 332 K HN -0.050 nan 8.250 nan 0.000 0.546 333 V N 0.754 120.484 119.914 -0.307 0.000 2.760 333 V HA 0.670 4.785 4.120 -0.008 0.000 0.309 333 V C -1.194 174.798 176.094 -0.169 0.000 1.077 333 V CA -1.271 60.845 62.300 -0.307 0.000 0.910 333 V CB 1.968 33.319 31.823 -0.786 0.000 1.008 333 V HN 0.106 nan 8.190 nan 0.000 0.424 334 A N 5.250 128.027 122.820 -0.072 0.000 2.359 334 A HA 0.918 5.233 4.320 -0.008 0.000 0.303 334 A C -1.131 176.473 177.584 0.034 0.000 1.066 334 A CA -0.414 51.612 52.037 -0.018 0.000 0.730 334 A CB 1.104 20.033 19.000 -0.119 0.000 1.211 334 A HN 0.751 nan 8.150 nan 0.000 0.439 335 I N 1.900 122.541 120.570 0.118 0.000 2.382 335 I HA 0.315 4.480 4.170 -0.008 0.000 0.286 335 I C -0.362 175.855 176.117 0.167 0.000 1.002 335 I CA -0.566 60.819 61.300 0.141 0.000 1.135 335 I CB 1.987 40.055 38.000 0.113 0.000 1.288 335 I HN 0.700 nan 8.210 nan 0.000 0.448 336 Q N 6.869 126.768 119.800 0.165 0.000 2.314 336 Q HA 0.508 4.844 4.340 -0.008 0.000 0.259 336 Q C -1.350 174.665 176.000 0.024 0.000 0.951 336 Q CA -0.254 55.679 55.803 0.217 0.000 0.909 336 Q CB 1.333 30.321 28.738 0.416 0.000 1.236 336 Q HN 0.573 nan 8.270 nan 0.000 0.444 337 L N 3.842 125.116 121.223 0.086 0.000 2.261 337 L HA 0.393 4.728 4.340 -0.008 0.000 0.289 337 L C 0.070 176.976 176.870 0.061 0.000 1.059 337 L CA -0.760 54.117 54.840 0.061 0.000 0.816 337 L CB 0.657 42.799 42.059 0.139 0.000 1.191 337 L HN 0.578 nan 8.230 nan 0.000 0.431 338 N N 4.840 123.491 118.700 -0.083 0.000 2.466 338 N HA 0.040 4.776 4.740 -0.008 0.000 0.263 338 N C -0.045 175.487 175.510 0.037 0.000 1.178 338 N CA 0.578 53.632 53.050 0.006 0.000 0.983 338 N CB -0.102 38.294 38.487 -0.152 0.000 1.331 338 N HN 0.687 nan 8.380 nan 0.000 0.500 339 D N -0.167 120.360 120.400 0.212 0.000 3.876 339 D HA -0.232 4.403 4.640 -0.008 0.000 0.275 339 D C 0.187 176.605 176.300 0.198 0.000 2.055 339 D CA 1.514 55.634 54.000 0.200 0.000 1.173 339 D CB -0.583 40.074 40.800 -0.238 0.000 0.929 339 D HN 0.502 nan 8.370 nan 0.000 1.134 340 T N -2.495 112.119 114.554 0.099 0.000 3.129 340 T HA 0.106 4.451 4.350 -0.008 0.000 0.251 340 T C 1.616 176.416 174.700 0.166 0.000 1.117 340 T CA 1.341 63.477 62.100 0.059 0.000 1.034 340 T CB -0.480 68.388 68.868 0.001 0.000 0.968 340 T HN 0.481 nan 8.240 nan 0.000 0.526 341 H N 2.649 121.803 119.070 0.141 0.000 2.394 341 H HA -0.026 4.525 4.556 -0.008 0.000 0.297 341 H C -0.808 174.609 175.328 0.147 0.000 1.113 341 H CA 1.141 57.288 56.048 0.165 0.000 1.277 341 H CB -0.718 29.139 29.762 0.159 0.000 1.370 341 H HN 0.452 nan 8.280 nan 0.000 0.506 342 P HA 0.097 nan 4.420 nan 0.000 0.274 342 P C 0.689 178.037 177.300 0.079 0.000 1.673 342 P CA 0.341 63.524 63.100 0.138 0.000 1.193 342 P CB 0.513 32.284 31.700 0.117 0.000 1.571 343 S N -0.142 115.601 115.700 0.070 0.000 2.440 343 S HA -0.116 4.350 4.470 -0.008 0.000 0.238 343 S C 1.777 176.383 174.600 0.011 0.000 1.010 343 S CA 0.719 58.922 58.200 0.005 0.000 0.972 343 S CB -1.410 61.769 63.200 -0.036 0.000 0.774 343 S HN 0.150 nan 8.310 nan 0.000 0.501 344 L N 0.898 122.141 121.223 0.034 0.000 2.549 344 L HA 0.039 4.374 4.340 -0.008 0.000 0.229 344 L C 2.898 179.806 176.870 0.063 0.000 1.158 344 L CA 0.610 55.473 54.840 0.038 0.000 0.842 344 L CB -0.738 41.345 42.059 0.040 0.000 0.952 344 L HN 0.478 nan 8.230 nan 0.000 0.452 345 A N 0.512 123.350 122.820 0.030 0.000 1.972 345 A HA -0.176 4.139 4.320 -0.008 0.000 0.219 345 A C 2.181 179.768 177.584 0.004 0.000 1.169 345 A CA 1.345 53.386 52.037 0.006 0.000 0.635 345 A CB -0.411 18.584 19.000 -0.008 0.000 0.810 345 A HN 0.368 nan 8.150 nan 0.000 0.446 346 I N 0.315 120.889 120.570 0.006 0.000 2.113 346 I HA -0.144 4.021 4.170 -0.008 0.000 0.238 346 I C -0.323 175.812 176.117 0.031 0.000 1.070 346 I CA 1.541 62.842 61.300 0.001 0.000 1.332 346 I CB -1.005 36.999 38.000 0.006 0.000 1.044 346 I HN 0.255 nan 8.210 nan 0.000 0.402 347 P HA -0.157 nan 4.420 nan 0.000 0.225 347 P C 1.236 178.560 177.300 0.039 0.000 1.156 347 P CA 1.432 64.568 63.100 0.060 0.000 0.787 347 P CB 0.063 31.818 31.700 0.091 0.000 0.802 348 E N 0.341 120.625 120.200 0.140 0.000 2.107 348 E HA -0.137 4.209 4.350 -0.008 0.000 0.191 348 E C 1.923 178.512 176.600 -0.019 0.000 0.982 348 E CA 0.598 57.096 56.400 0.164 0.000 0.809 348 E CB -1.161 28.684 29.700 0.243 0.000 0.756 348 E HN -0.006 nan 8.360 nan 0.000 0.459 349 L N -0.017 121.167 121.223 -0.066 0.000 2.056 349 L HA -0.072 4.263 4.340 -0.008 0.000 0.207 349 L C 2.053 178.786 176.870 -0.227 0.000 1.078 349 L CA 1.712 56.456 54.840 -0.160 0.000 0.749 349 L CB -0.560 41.407 42.059 -0.153 0.000 0.901 349 L HN 0.230 nan 8.230 nan 0.000 0.433 350 M N -0.728 118.753 119.600 -0.199 0.000 2.086 350 M HA -0.211 4.265 4.480 -0.008 0.000 0.261 350 M C 2.435 178.571 176.300 -0.273 0.000 1.067 350 M CA 1.563 56.691 55.300 -0.287 0.000 1.116 350 M CB -1.192 31.226 32.600 -0.303 0.000 1.348 350 M HN 0.332 nan 8.290 nan 0.000 0.407 351 R N 0.026 120.394 120.500 -0.220 0.000 2.083 351 R HA -0.145 4.191 4.340 -0.008 0.000 0.237 351 R C 2.041 178.241 176.300 -0.167 0.000 1.137 351 R CA 1.773 57.747 56.100 -0.211 0.000 0.951 351 R CB -0.208 29.918 30.300 -0.291 0.000 0.851 351 R HN 0.214 nan 8.270 nan 0.000 0.434 352 V N 1.420 121.234 119.914 -0.167 0.000 2.295 352 V HA -0.249 3.866 4.120 -0.008 0.000 0.246 352 V C 2.406 178.347 176.094 -0.256 0.000 1.049 352 V CA 1.756 63.953 62.300 -0.170 0.000 1.024 352 V CB -0.412 31.309 31.823 -0.171 0.000 0.648 352 V HN 0.343 nan 8.190 nan 0.000 0.447 353 L N -0.620 120.385 121.223 -0.364 0.000 2.056 353 L HA -0.126 4.209 4.340 -0.008 0.000 0.207 353 L C 2.389 179.079 176.870 -0.300 0.000 1.078 353 L CA 1.081 55.639 54.840 -0.470 0.000 0.749 353 L CB -0.680 41.051 42.059 -0.547 0.000 0.901 353 L HN 0.207 nan 8.230 nan 0.000 0.433 354 V N -0.438 119.340 119.914 -0.228 0.000 2.300 354 V HA -0.184 3.931 4.120 -0.008 0.000 0.241 354 V C 2.014 178.067 176.094 -0.068 0.000 1.034 354 V CA 1.733 63.960 62.300 -0.122 0.000 1.021 354 V CB -0.375 31.398 31.823 -0.083 0.000 0.662 354 V HN 0.337 nan 8.190 nan 0.000 0.458 355 D N 0.022 120.380 120.400 -0.070 0.000 2.149 355 D HA -0.040 4.595 4.640 -0.008 0.000 0.201 355 D C 2.026 178.305 176.300 -0.035 0.000 0.972 355 D CA 1.227 55.205 54.000 -0.037 0.000 0.835 355 D CB 0.015 40.792 40.800 -0.039 0.000 0.966 355 D HN 0.334 nan 8.370 nan 0.000 0.476 356 L N 0.128 121.315 121.223 -0.061 0.000 2.286 356 L HA 0.104 4.439 4.340 -0.008 0.000 0.203 356 L C 1.878 178.724 176.870 -0.040 0.000 1.068 356 L CA 0.502 55.318 54.840 -0.041 0.000 0.811 356 L CB 0.028 42.064 42.059 -0.039 0.000 0.989 356 L HN -0.192 nan 8.230 nan 0.000 0.467 357 E N 0.334 120.476 120.200 -0.097 0.000 2.442 357 E HA 0.026 4.371 4.350 -0.008 0.000 0.195 357 E C 0.168 176.741 176.600 -0.045 0.000 1.030 357 E CA -0.014 56.340 56.400 -0.075 0.000 0.869 357 E CB 0.327 29.871 29.700 -0.260 0.000 0.857 357 E HN 0.184 nan 8.360 nan 0.000 0.505 358 R N -0.410 120.056 120.500 -0.057 0.000 3.776 358 R HA -0.181 4.154 4.340 -0.008 0.000 0.312 358 R C -0.343 175.945 176.300 -0.020 0.000 1.181 358 R CA 0.240 56.328 56.100 -0.021 0.000 0.836 358 R CB -2.801 27.505 30.300 0.010 0.000 1.324 358 R HN 0.081 nan 8.270 nan 0.000 0.501 359 L N 2.166 123.348 121.223 -0.068 0.000 2.453 359 L HA 0.174 4.509 4.340 -0.008 0.000 0.261 359 L C 1.429 178.292 176.870 -0.013 0.000 1.179 359 L CA 0.139 54.949 54.840 -0.050 0.000 0.813 359 L CB 0.382 42.365 42.059 -0.127 0.000 1.110 359 L HN 0.120 nan 8.230 nan 0.000 0.466 360 D N 0.404 120.821 120.400 0.028 0.000 2.357 360 D HA -0.130 4.505 4.640 -0.008 0.000 0.242 360 D C 0.953 177.317 176.300 0.108 0.000 1.153 360 D CA -0.521 53.530 54.000 0.084 0.000 0.918 360 D CB 0.714 41.570 40.800 0.092 0.000 1.181 360 D HN 0.598 nan 8.370 nan 0.000 0.435 361 W N 1.877 123.179 121.300 0.004 0.000 2.301 361 W HA -0.250 4.405 4.660 -0.008 0.000 0.325 361 W C 1.042 177.605 176.519 0.073 0.000 1.250 361 W CA 2.065 59.420 57.345 0.016 0.000 1.261 361 W CB -0.373 29.077 29.460 -0.017 0.000 1.157 361 W HN 0.438 nan 8.180 nan 0.000 0.473 362 D N 0.279 120.889 120.400 0.349 0.000 2.133 362 D HA -0.228 4.407 4.640 -0.008 0.000 0.195 362 D C 1.869 178.271 176.300 0.170 0.000 0.997 362 D CA 2.170 56.341 54.000 0.285 0.000 0.840 362 D CB -0.489 40.445 40.800 0.224 0.000 0.947 362 D HN 0.090 nan 8.370 nan 0.000 0.452 363 K N 0.935 121.391 120.400 0.094 0.000 2.062 363 K HA 0.066 4.381 4.320 -0.008 0.000 0.205 363 K C 1.810 178.397 176.600 -0.021 0.000 1.051 363 K CA 1.339 57.653 56.287 0.045 0.000 0.941 363 K CB -0.502 32.020 32.500 0.036 0.000 0.719 363 K HN 0.006 nan 8.250 nan 0.000 0.440 364 A N 0.596 123.360 122.820 -0.094 0.000 1.902 364 A HA -0.176 4.139 4.320 -0.008 0.000 0.217 364 A C 2.242 179.724 177.584 -0.169 0.000 1.181 364 A CA 1.448 53.358 52.037 -0.211 0.000 0.623 364 A CB -1.200 17.604 19.000 -0.328 0.000 0.818 364 A HN 0.691 nan 8.150 nan 0.000 0.443 365 W N 0.647 121.733 121.300 -0.358 0.000 2.358 365 W HA -0.161 4.494 4.660 -0.008 0.000 0.303 365 W C 1.969 178.427 176.519 -0.101 0.000 1.208 365 W CA 1.757 58.946 57.345 -0.260 0.000 1.274 365 W CB -0.081 29.275 29.460 -0.172 0.000 1.138 365 W HN 0.611 nan 8.180 nan 0.000 0.515 366 E N 0.124 120.311 120.200 -0.021 0.000 2.051 366 E HA -0.226 4.119 4.350 -0.008 0.000 0.192 366 E C 2.048 178.566 176.600 -0.135 0.000 0.991 366 E CA 1.932 58.285 56.400 -0.078 0.000 0.799 366 E CB -0.316 29.397 29.700 0.021 0.000 0.748 366 E HN 0.057 nan 8.360 nan 0.000 0.449 367 V N 0.722 120.572 119.914 -0.107 0.000 2.295 367 V HA -0.258 3.857 4.120 -0.008 0.000 0.246 367 V C 2.412 178.439 176.094 -0.112 0.000 1.049 367 V CA 2.181 64.436 62.300 -0.075 0.000 1.024 367 V CB -0.786 30.984 31.823 -0.088 0.000 0.648 367 V HN 0.381 nan 8.190 nan 0.000 0.447 368 T N 0.111 114.529 114.554 -0.226 0.000 2.652 368 T HA -0.191 4.154 4.350 -0.008 0.000 0.267 368 T C 1.956 176.484 174.700 -0.285 0.000 1.039 368 T CA 1.835 63.780 62.100 -0.258 0.000 1.153 368 T CB -0.315 68.344 68.868 -0.348 0.000 0.863 368 T HN 0.274 nan 8.240 nan 0.000 0.428 369 V N 1.477 121.103 119.914 -0.480 0.000 2.332 369 V HA -0.195 3.921 4.120 -0.008 0.000 0.248 369 V C 2.315 178.356 176.094 -0.088 0.000 1.055 369 V CA 1.692 63.765 62.300 -0.378 0.000 1.038 369 V CB -0.508 31.017 31.823 -0.497 0.000 0.651 369 V HN 0.489 nan 8.190 nan 0.000 0.450 370 K N -0.588 119.739 120.400 -0.122 0.000 2.365 370 K HA -0.062 4.253 4.320 -0.008 0.000 0.199 370 K C 2.018 178.552 176.600 -0.110 0.000 1.045 370 K CA 1.376 57.559 56.287 -0.174 0.000 0.962 370 K CB -0.154 32.258 32.500 -0.147 0.000 0.759 370 K HN 0.470 nan 8.250 nan 0.000 0.469 371 T N 0.152 114.720 114.554 0.023 0.000 3.010 371 T HA 0.038 4.383 4.350 -0.008 0.000 0.252 371 T C 0.884 175.689 174.700 0.175 0.000 1.047 371 T CA 0.298 62.454 62.100 0.094 0.000 1.140 371 T CB 0.142 69.105 68.868 0.159 0.000 0.885 371 T HN 0.168 nan 8.240 nan 0.000 0.464 372 C N 2.454 121.846 119.300 0.153 0.000 2.405 372 C HA 0.877 5.332 4.460 -0.008 0.000 0.365 372 C C 0.572 175.646 174.990 0.139 0.000 1.233 372 C CA -1.262 57.836 59.018 0.134 0.000 2.230 372 C CB 0.061 27.817 27.740 0.026 0.000 2.443 372 C HN 0.581 nan 8.230 nan 0.000 0.556 373 A N 2.017 124.908 122.820 0.118 0.000 2.422 373 A HA 0.724 5.039 4.320 -0.008 0.000 0.302 373 A C -1.470 176.200 177.584 0.142 0.000 1.041 373 A CA -0.403 51.653 52.037 0.030 0.000 0.708 373 A CB 0.948 20.002 19.000 0.089 0.000 1.257 373 A HN 0.943 nan 8.150 nan 0.000 0.414 374 Y N 1.374 121.633 120.300 -0.069 0.000 2.364 374 Y HA 0.648 5.193 4.550 -0.008 0.000 0.340 374 Y C -0.469 175.423 175.900 -0.014 0.000 0.975 374 Y CA -0.312 57.763 58.100 -0.041 0.000 1.089 374 Y CB 2.005 40.402 38.460 -0.105 0.000 1.192 374 Y HN 0.557 nan 8.280 nan 0.000 0.454 375 T N 6.639 120.996 114.554 -0.329 0.000 2.770 375 T HA 0.185 4.530 4.350 -0.008 0.000 0.283 375 T C -0.815 173.437 174.700 -0.746 0.000 0.988 375 T CA -0.814 61.017 62.100 -0.449 0.000 0.957 375 T CB 0.412 69.242 68.868 -0.063 0.000 0.930 375 T HN 0.656 nan 8.240 nan 0.000 0.443 376 N N 1.826 120.079 118.700 -0.745 0.000 2.479 376 N HA 0.141 4.876 4.740 -0.008 0.000 0.285 376 N C 0.015 175.387 175.510 -0.231 0.000 1.075 376 N CA -0.329 52.510 53.050 -0.351 0.000 0.967 376 N CB 0.795 39.242 38.487 -0.067 0.000 1.137 376 N HN 0.673 nan 8.380 nan 0.000 0.472 377 H N 0.944 120.037 119.070 0.038 0.000 2.893 377 H HA 0.172 4.723 4.556 -0.008 0.000 0.270 377 H C -0.192 175.042 175.328 -0.157 0.000 1.095 377 H CA -0.028 55.988 56.048 -0.054 0.000 1.186 377 H CB 1.155 30.894 29.762 -0.039 0.000 1.562 377 H HN 0.538 nan 8.280 nan 0.000 0.536 378 T N 0.168 114.737 114.554 0.025 0.000 2.827 378 T HA 0.233 4.578 4.350 -0.008 0.000 0.328 378 T C 0.230 174.943 174.700 0.021 0.000 1.598 378 T CA -0.294 61.772 62.100 -0.057 0.000 1.043 378 T CB 1.274 70.111 68.868 -0.052 0.000 1.447 378 T HN -0.047 nan 8.240 nan 0.000 0.491 379 V N 1.237 121.127 119.914 -0.041 0.000 3.477 379 V HA 0.561 4.676 4.120 -0.008 0.000 0.297 379 V C 0.592 176.648 176.094 -0.063 0.000 1.433 379 V CA -0.088 62.179 62.300 -0.054 0.000 1.052 379 V CB -0.354 31.438 31.823 -0.051 0.000 0.895 379 V HN 0.690 nan 8.190 nan 0.000 0.438 380 L N 3.324 124.502 121.223 -0.076 0.000 2.462 380 L HA 0.221 4.556 4.340 -0.008 0.000 0.272 380 L C -0.449 176.426 176.870 0.008 0.000 1.166 380 L CA -1.000 53.822 54.840 -0.029 0.000 0.880 380 L CB 0.853 42.882 42.059 -0.050 0.000 1.142 380 L HN 0.128 nan 8.230 nan 0.000 0.473 381 P HA -0.225 nan 4.420 nan 0.000 0.216 381 P C 0.900 178.213 177.300 0.020 0.000 1.150 381 P CA 1.355 64.465 63.100 0.015 0.000 0.837 381 P CB 0.065 31.779 31.700 0.023 0.000 0.786 382 E N 0.235 120.479 120.200 0.073 0.000 2.478 382 E HA -0.035 4.310 4.350 -0.008 0.000 0.198 382 E C 1.624 178.223 176.600 -0.001 0.000 1.046 382 E CA 0.996 57.436 56.400 0.067 0.000 0.870 382 E CB -0.651 29.197 29.700 0.247 0.000 0.818 382 E HN 0.221 nan 8.360 nan 0.000 0.527 383 A N 1.197 124.044 122.820 0.044 0.000 2.169 383 A HA 0.242 4.557 4.320 -0.008 0.000 0.210 383 A C 1.302 178.878 177.584 -0.013 0.000 1.168 383 A CA -0.314 51.754 52.037 0.053 0.000 0.813 383 A CB -0.029 19.026 19.000 0.091 0.000 0.861 383 A HN 0.139 nan 8.150 nan 0.000 0.481 384 L N 1.439 122.614 121.223 -0.081 0.000 2.416 384 L HA 0.159 4.495 4.340 -0.008 0.000 0.272 384 L C -0.067 176.494 176.870 -0.514 0.000 1.161 384 L CA -0.194 54.539 54.840 -0.177 0.000 0.845 384 L CB 0.572 42.559 42.059 -0.119 0.000 1.119 384 L HN 0.319 nan 8.230 nan 0.000 0.464 385 E N 3.893 123.690 120.200 -0.672 0.000 2.223 385 E HA 0.262 4.607 4.350 -0.008 0.000 0.282 385 E C -0.648 175.356 176.600 -0.994 0.000 1.046 385 E CA -0.223 55.334 56.400 -1.405 0.000 0.857 385 E CB 0.800 29.979 29.700 -0.868 0.000 1.055 385 E HN 0.405 nan 8.360 nan 0.000 0.409 386 R N 3.702 123.496 120.500 -1.176 0.000 2.576 386 R HA 0.185 4.520 4.340 -0.008 0.000 0.283 386 R C -1.308 174.821 176.300 -0.283 0.000 1.493 386 R CA -0.555 55.264 56.100 -0.468 0.000 1.170 386 R CB 0.795 30.938 30.300 -0.261 0.000 1.189 386 R HN 0.459 nan 8.270 nan 0.000 0.542 387 W N 4.089 125.337 121.300 -0.087 0.000 2.287 387 W HA 0.278 4.934 4.660 -0.008 0.000 0.313 387 W C -1.931 174.556 176.519 -0.053 0.000 1.267 387 W CA -2.090 55.261 57.345 0.010 0.000 1.201 387 W CB 0.654 30.099 29.460 -0.024 0.000 1.196 387 W HN 0.229 nan 8.180 nan 0.000 0.536 388 P HA -0.067 nan 4.420 nan 0.000 0.267 388 P C 0.759 177.973 177.300 -0.144 0.000 1.205 388 P CA 0.148 63.199 63.100 -0.081 0.000 0.765 388 P CB 0.797 32.283 31.700 -0.355 0.000 0.828 389 V N 3.222 123.106 119.914 -0.051 0.000 2.392 389 V HA -0.284 3.831 4.120 -0.008 0.000 0.249 389 V C 2.091 178.184 176.094 -0.002 0.000 1.059 389 V CA 2.479 64.779 62.300 0.000 0.000 1.051 389 V CB -1.727 30.162 31.823 0.109 0.000 0.658 389 V HN 0.755 nan 8.190 nan 0.000 0.455 390 H N -1.001 118.128 119.070 0.098 0.000 2.456 390 H HA -0.085 4.466 4.556 -0.008 0.000 0.296 390 H C 2.009 177.386 175.328 0.081 0.000 1.079 390 H CA 1.611 57.712 56.048 0.088 0.000 1.322 390 H CB -0.582 29.232 29.762 0.087 0.000 1.388 390 H HN 0.359 nan 8.280 nan 0.000 0.538 391 L N -0.039 121.079 121.223 -0.175 0.000 2.023 391 L HA -0.076 4.259 4.340 -0.008 0.000 0.205 391 L C 2.404 179.244 176.870 -0.049 0.000 1.073 391 L CA 0.979 55.806 54.840 -0.022 0.000 0.745 391 L CB -0.255 41.772 42.059 -0.054 0.000 0.900 391 L HN 0.313 nan 8.230 nan 0.000 0.435 392 L N -0.496 120.663 121.223 -0.108 0.000 2.046 392 L HA -0.261 4.074 4.340 -0.008 0.000 0.208 392 L C 2.514 179.326 176.870 -0.098 0.000 1.077 392 L CA 1.327 56.073 54.840 -0.157 0.000 0.747 392 L CB -0.529 41.424 42.059 -0.176 0.000 0.896 392 L HN 0.355 nan 8.230 nan 0.000 0.432 393 E N -0.290 119.895 120.200 -0.026 0.000 2.085 393 E HA -0.223 4.122 4.350 -0.008 0.000 0.194 393 E C 1.918 178.557 176.600 0.065 0.000 0.994 393 E CA 1.955 58.370 56.400 0.026 0.000 0.801 393 E CB 0.130 29.883 29.700 0.089 0.000 0.743 393 E HN 0.436 nan 8.360 nan 0.000 0.453 394 T N 0.632 115.249 114.554 0.105 0.000 2.894 394 T HA -0.060 4.286 4.350 -0.008 0.000 0.258 394 T C 1.687 176.511 174.700 0.205 0.000 1.043 394 T CA 0.635 62.847 62.100 0.187 0.000 1.141 394 T CB -0.083 68.926 68.868 0.234 0.000 0.873 394 T HN 0.072 nan 8.240 nan 0.000 0.449 395 L N 0.101 121.349 121.223 0.042 0.000 2.127 395 L HA 0.354 4.690 4.340 -0.008 0.000 0.203 395 L C 0.358 177.172 176.870 -0.095 0.000 1.080 395 L CA 1.588 56.341 54.840 -0.146 0.000 0.768 395 L CB 0.032 41.966 42.059 -0.208 0.000 0.924 395 L HN 0.165 nan 8.230 nan 0.000 0.444 396 L N 0.861 121.986 121.223 -0.163 0.000 2.551 396 L HA 0.292 4.627 4.340 -0.008 0.000 0.248 396 L C -1.648 175.047 176.870 -0.292 0.000 1.509 396 L CA -0.993 53.663 54.840 -0.305 0.000 0.842 396 L CB 0.949 42.665 42.059 -0.572 0.000 1.087 396 L HN -0.054 nan 8.230 nan 0.000 0.512 397 P HA -0.238 nan 4.420 nan 0.000 0.216 397 P C 1.479 178.586 177.300 -0.321 0.000 1.153 397 P CA 1.344 64.324 63.100 -0.199 0.000 0.858 397 P CB 0.381 32.035 31.700 -0.077 0.000 0.789 398 R N -0.286 119.840 120.500 -0.622 0.000 2.075 398 R HA -0.153 4.182 4.340 -0.008 0.000 0.232 398 R C 2.385 178.387 176.300 -0.497 0.000 1.126 398 R CA 1.621 57.363 56.100 -0.596 0.000 0.963 398 R CB -1.443 28.324 30.300 -0.888 0.000 0.858 398 R HN 0.235 nan 8.270 nan 0.000 0.435 399 H N -0.267 118.491 119.070 -0.520 0.000 2.421 399 H HA -0.051 4.500 4.556 -0.008 0.000 0.298 399 H C 1.759 176.912 175.328 -0.292 0.000 1.087 399 H CA 1.550 57.378 56.048 -0.366 0.000 1.330 399 H CB -0.048 29.462 29.762 -0.419 0.000 1.388 399 H HN 0.124 nan 8.280 nan 0.000 0.526 400 L N 0.430 121.527 121.223 -0.210 0.000 2.056 400 L HA -0.209 4.126 4.340 -0.008 0.000 0.207 400 L C 1.787 178.455 176.870 -0.337 0.000 1.078 400 L CA 1.473 56.117 54.840 -0.325 0.000 0.749 400 L CB -0.226 41.663 42.059 -0.283 0.000 0.901 400 L HN 0.436 nan 8.230 nan 0.000 0.433 401 Q N -0.218 119.503 119.800 -0.132 0.000 2.084 401 Q HA -0.228 4.107 4.340 -0.008 0.000 0.202 401 Q C 2.171 178.191 176.000 0.034 0.000 0.978 401 Q CA 1.594 57.416 55.803 0.032 0.000 0.844 401 Q CB -0.095 28.666 28.738 0.039 0.000 0.898 401 Q HN 0.549 nan 8.270 nan 0.000 0.426 402 I N 0.591 121.158 120.570 -0.006 0.000 2.286 402 I HA -0.271 3.894 4.170 -0.008 0.000 0.248 402 I C 2.197 178.383 176.117 0.115 0.000 1.115 402 I CA 1.068 62.443 61.300 0.125 0.000 1.392 402 I CB -0.188 37.839 38.000 0.044 0.000 1.065 402 I HN 0.206 nan 8.210 nan 0.000 0.418 403 I N -0.440 120.116 120.570 -0.023 0.000 2.286 403 I HA -0.311 3.854 4.170 -0.008 0.000 0.248 403 I C 2.422 178.548 176.117 0.016 0.000 1.115 403 I CA 1.432 62.707 61.300 -0.041 0.000 1.392 403 I CB -0.391 37.512 38.000 -0.160 0.000 1.065 403 I HN 0.160 nan 8.210 nan 0.000 0.418 404 Y N 0.887 121.192 120.300 0.007 0.000 2.181 404 Y HA -0.261 4.284 4.550 -0.008 0.000 0.288 404 Y C 2.603 178.469 175.900 -0.056 0.000 1.146 404 Y CA 1.475 59.566 58.100 -0.015 0.000 1.164 404 Y CB -0.778 37.666 38.460 -0.027 0.000 0.982 404 Y HN 0.177 nan 8.280 nan 0.000 0.515 405 E N 0.454 120.695 120.200 0.068 0.000 2.077 405 E HA -0.152 4.193 4.350 -0.008 0.000 0.193 405 E C 2.057 178.570 176.600 -0.144 0.000 0.989 405 E CA 1.328 57.627 56.400 -0.169 0.000 0.800 405 E CB -0.550 28.894 29.700 -0.427 0.000 0.746 405 E HN 0.481 nan 8.360 nan 0.000 0.452 406 I N 0.568 121.151 120.570 0.021 0.000 2.226 406 I HA -0.275 3.890 4.170 -0.008 0.000 0.245 406 I C 2.262 178.381 176.117 0.002 0.000 1.100 406 I CA 1.362 62.635 61.300 -0.046 0.000 1.374 406 I CB -0.377 37.611 38.000 -0.021 0.000 1.057 406 I HN 0.215 nan 8.210 nan 0.000 0.413 407 N N 0.759 119.508 118.700 0.083 0.000 2.084 407 N HA -0.267 4.469 4.740 -0.008 0.000 0.190 407 N C 1.871 177.467 175.510 0.143 0.000 1.030 407 N CA 1.553 54.703 53.050 0.167 0.000 0.849 407 N CB -0.133 38.470 38.487 0.193 0.000 1.012 407 N HN 0.284 nan 8.380 nan 0.000 0.423 408 Q N -0.039 119.791 119.800 0.049 0.000 2.030 408 Q HA -0.132 4.203 4.340 -0.008 0.000 0.204 408 Q C 1.991 177.973 176.000 -0.030 0.000 0.986 408 Q CA 1.544 57.339 55.803 -0.013 0.000 0.843 408 Q CB 0.006 28.695 28.738 -0.082 0.000 0.904 408 Q HN 0.402 nan 8.270 nan 0.000 0.420 409 R N -0.754 119.704 120.500 -0.069 0.000 2.115 409 R HA -0.115 4.220 4.340 -0.008 0.000 0.230 409 R C 2.176 178.498 176.300 0.037 0.000 1.111 409 R CA 1.101 57.158 56.100 -0.072 0.000 0.976 409 R CB -0.355 29.846 30.300 -0.165 0.000 0.870 409 R HN 0.280 nan 8.270 nan 0.000 0.445 410 F N 1.724 121.645 119.950 -0.048 0.000 2.113 410 F HA -0.088 4.435 4.527 -0.008 0.000 0.297 410 F C 1.893 177.715 175.800 0.036 0.000 1.103 410 F CA 1.285 59.305 58.000 0.034 0.000 1.248 410 F CB -0.243 38.809 39.000 0.087 0.000 0.999 410 F HN -0.134 nan 8.300 nan 0.000 0.475 411 L N 0.003 121.222 121.223 -0.007 0.000 2.191 411 L HA -0.230 4.105 4.340 -0.008 0.000 0.212 411 L C 2.000 178.796 176.870 -0.124 0.000 1.103 411 L CA 1.469 56.243 54.840 -0.110 0.000 0.769 411 L CB -0.874 41.190 42.059 0.009 0.000 0.908 411 L HN 0.262 nan 8.230 nan 0.000 0.438 412 N N -0.210 118.439 118.700 -0.086 0.000 2.244 412 N HA -0.155 4.580 4.740 -0.008 0.000 0.183 412 N C 1.934 177.385 175.510 -0.097 0.000 1.016 412 N CA 0.675 53.678 53.050 -0.078 0.000 0.866 412 N CB 0.037 38.486 38.487 -0.063 0.000 0.980 412 N HN 0.270 nan 8.380 nan 0.000 0.430 413 R N 0.482 120.905 120.500 -0.129 0.000 2.090 413 R HA -0.017 4.318 4.340 -0.008 0.000 0.228 413 R C 2.145 178.336 176.300 -0.182 0.000 1.110 413 R CA 0.707 56.726 56.100 -0.134 0.000 0.973 413 R CB -0.103 30.130 30.300 -0.111 0.000 0.869 413 R HN 0.053 nan 8.270 nan 0.000 0.440 414 V N 0.664 120.417 119.914 -0.268 0.000 2.358 414 V HA -0.211 3.904 4.120 -0.008 0.000 0.246 414 V C 2.343 178.416 176.094 -0.033 0.000 1.047 414 V CA 1.940 64.141 62.300 -0.164 0.000 1.035 414 V CB -0.647 31.017 31.823 -0.265 0.000 0.658 414 V HN 0.407 nan 8.190 nan 0.000 0.452 415 A N -0.023 122.757 122.820 -0.067 0.000 1.972 415 A HA -0.088 4.227 4.320 -0.008 0.000 0.219 415 A C 2.331 179.887 177.584 -0.047 0.000 1.169 415 A CA 2.015 54.033 52.037 -0.033 0.000 0.635 415 A CB -0.593 18.380 19.000 -0.044 0.000 0.810 415 A HN 0.579 nan 8.150 nan 0.000 0.446 416 A N -0.824 121.947 122.820 -0.082 0.000 2.016 416 A HA 0.396 4.711 4.320 -0.008 0.000 0.217 416 A C 2.274 179.762 177.584 -0.160 0.000 1.162 416 A CA 1.466 53.444 52.037 -0.098 0.000 0.662 416 A CB -0.514 18.433 19.000 -0.087 0.000 0.812 416 A HN 0.905 nan 8.150 nan 0.000 0.450 417 A N -1.622 121.051 122.820 -0.244 0.000 2.030 417 A HA 0.433 4.748 4.320 -0.008 0.000 0.215 417 A C 0.362 177.480 177.584 -0.776 0.000 1.164 417 A CA 0.454 52.174 52.037 -0.529 0.000 0.697 417 A CB -0.070 18.526 19.000 -0.674 0.000 0.827 417 A HN 0.390 nan 8.150 nan 0.000 0.457 418 F N -0.029 119.873 119.950 -0.079 0.000 2.584 418 F HA 0.345 4.867 4.527 -0.008 0.000 0.328 418 F C -2.798 172.964 175.800 -0.063 0.000 1.407 418 F CA -2.964 54.993 58.000 -0.070 0.000 1.145 418 F CB 0.636 39.586 39.000 -0.084 0.000 1.440 418 F HN -0.075 nan 8.300 nan 0.000 0.580 419 P HA 0.158 nan 4.420 nan 0.000 0.261 419 P C 1.018 178.337 177.300 0.033 0.000 1.183 419 P CA 1.239 64.350 63.100 0.018 0.000 0.761 419 P CB 0.708 32.401 31.700 -0.011 0.000 0.785 420 G N 2.748 111.560 108.800 0.020 0.000 2.205 420 G HA2 -0.247 3.708 3.960 -0.008 0.000 0.261 420 G HA3 -0.247 3.708 3.960 -0.008 0.000 0.261 420 G C 0.366 175.275 174.900 0.014 0.000 0.980 420 G CA 0.038 45.146 45.100 0.013 0.000 0.632 420 G HN 0.601 nan 8.290 nan 0.000 0.533 421 D N 1.525 121.941 120.400 0.028 0.000 2.551 421 D HA 0.384 5.019 4.640 -0.008 0.000 0.223 421 D C 2.134 178.424 176.300 -0.018 0.000 1.144 421 D CA 0.398 54.399 54.000 0.001 0.000 1.025 421 D CB 0.335 41.132 40.800 -0.006 0.000 1.085 421 D HN 0.590 nan 8.370 nan 0.000 0.506 422 V N 0.716 120.622 119.914 -0.014 0.000 2.490 422 V HA -0.180 3.936 4.120 -0.008 0.000 0.250 422 V C 1.828 177.910 176.094 -0.020 0.000 1.061 422 V CA 1.672 63.963 62.300 -0.015 0.000 1.064 422 V CB -0.522 31.296 31.823 -0.009 0.000 0.670 422 V HN 0.235 nan 8.190 nan 0.000 0.461 423 D N 0.372 120.756 120.400 -0.027 0.000 2.178 423 D HA -0.172 4.464 4.640 -0.008 0.000 0.202 423 D C 2.345 178.618 176.300 -0.045 0.000 0.974 423 D CA 1.339 55.323 54.000 -0.026 0.000 0.841 423 D CB -0.231 40.553 40.800 -0.027 0.000 0.953 423 D HN 0.446 nan 8.370 nan 0.000 0.478 424 R N -0.115 120.333 120.500 -0.085 0.000 2.096 424 R HA -0.088 4.247 4.340 -0.008 0.000 0.235 424 R C 2.247 178.482 176.300 -0.108 0.000 1.127 424 R CA 0.864 56.878 56.100 -0.143 0.000 0.968 424 R CB -0.242 29.912 30.300 -0.243 0.000 0.861 424 R HN 0.265 nan 8.270 nan 0.000 0.440 425 L N 0.645 121.828 121.223 -0.066 0.000 2.042 425 L HA -0.204 4.132 4.340 -0.008 0.000 0.210 425 L C 2.655 179.529 176.870 0.007 0.000 1.076 425 L CA 1.841 56.659 54.840 -0.036 0.000 0.749 425 L CB -0.475 41.572 42.059 -0.021 0.000 0.893 425 L HN 0.281 nan 8.230 nan 0.000 0.432 426 R N 0.076 120.585 120.500 0.016 0.000 2.148 426 R HA -0.079 4.257 4.340 -0.008 0.000 0.223 426 R C 2.103 178.454 176.300 0.085 0.000 1.088 426 R CA 0.925 57.056 56.100 0.052 0.000 0.985 426 R CB -0.519 29.805 30.300 0.040 0.000 0.880 426 R HN 0.196 nan 8.270 nan 0.000 0.451 427 R N 0.106 120.638 120.500 0.054 0.000 2.115 427 R HA 0.147 4.482 4.340 -0.008 0.000 0.226 427 R C 1.931 178.317 176.300 0.143 0.000 1.100 427 R CA 1.623 57.780 56.100 0.096 0.000 0.980 427 R CB -0.157 30.160 30.300 0.030 0.000 0.875 427 R HN 0.321 nan 8.270 nan 0.000 0.445 428 M N 0.133 119.741 119.600 0.014 0.000 2.509 428 M HA 0.054 4.529 4.480 -0.008 0.000 0.250 428 M C 0.864 177.329 176.300 0.275 0.000 1.132 428 M CA -0.011 55.253 55.300 -0.059 0.000 1.080 428 M CB 0.473 32.870 32.600 -0.338 0.000 1.408 428 M HN -0.086 nan 8.290 nan 0.000 0.484 429 S N 1.044 116.908 115.700 0.274 0.000 2.558 429 S HA 0.050 4.515 4.470 -0.008 0.000 0.287 429 S C 1.100 175.955 174.600 0.424 0.000 1.321 429 S CA -0.185 58.203 58.200 0.312 0.000 1.048 429 S CB 0.575 63.901 63.200 0.209 0.000 0.844 429 S HN 0.377 nan 8.310 nan 0.000 0.512 430 L N 3.810 125.233 121.223 0.334 0.000 2.418 430 L HA 0.135 4.470 4.340 -0.008 0.000 0.218 430 L C 0.186 177.164 176.870 0.180 0.000 1.125 430 L CA 0.211 55.208 54.840 0.262 0.000 0.835 430 L CB -0.290 41.865 42.059 0.160 0.000 0.953 430 L HN 0.390 nan 8.230 nan 0.000 0.454 431 V N 0.883 120.915 119.914 0.198 0.000 2.350 431 V HA 0.178 4.293 4.120 -0.008 0.000 0.276 431 V C 0.056 176.237 176.094 0.146 0.000 1.028 431 V CA -0.601 61.802 62.300 0.172 0.000 0.860 431 V CB 1.352 33.309 31.823 0.223 0.000 0.990 431 V HN 0.173 nan 8.190 nan 0.000 0.453 432 E N 3.173 123.439 120.200 0.109 0.000 2.197 432 E HA 0.442 4.787 4.350 -0.008 0.000 0.281 432 E C -0.705 175.946 176.600 0.085 0.000 0.995 432 E CA -0.583 55.872 56.400 0.091 0.000 0.808 432 E CB 1.988 31.722 29.700 0.057 0.000 1.093 432 E HN 0.596 nan 8.360 nan 0.000 0.394 433 E N 0.732 120.978 120.200 0.078 0.000 2.280 433 E HA 0.670 5.015 4.350 -0.008 0.000 0.264 433 E C 0.045 176.681 176.600 0.059 0.000 1.064 433 E CA 0.164 56.605 56.400 0.067 0.000 0.900 433 E CB 1.604 31.338 29.700 0.057 0.000 1.123 433 E HN 0.638 nan 8.360 nan 0.000 0.418 434 G N -0.173 108.660 108.800 0.056 0.000 2.332 434 G HA2 0.254 4.209 3.960 -0.008 0.000 0.265 434 G HA3 0.254 4.209 3.960 -0.008 0.000 0.265 434 G C 0.448 175.380 174.900 0.054 0.000 1.329 434 G CA 0.266 45.396 45.100 0.050 0.000 0.949 434 G HN 0.608 nan 8.290 nan 0.000 0.476 435 A N -0.972 121.879 122.820 0.051 0.000 1.881 435 A HA 0.254 4.570 4.320 -0.008 0.000 0.219 435 A C 1.655 179.281 177.584 0.071 0.000 1.215 435 A CA 4.163 56.232 52.037 0.053 0.000 0.648 435 A CB -1.222 17.808 19.000 0.050 0.000 0.832 435 A HN 2.379 nan 8.150 nan 0.000 0.455 436 V N -3.779 116.187 119.914 0.086 0.000 2.588 436 V HA 0.550 4.665 4.120 -0.008 0.000 0.304 436 V C -0.650 175.509 176.094 0.109 0.000 1.042 436 V CA -1.451 60.921 62.300 0.120 0.000 0.877 436 V CB 1.633 33.555 31.823 0.164 0.000 0.996 436 V HN 0.306 nan 8.190 nan 0.000 0.425 437 K N 3.847 124.318 120.400 0.119 0.000 2.401 437 K HA 0.510 4.825 4.320 -0.008 0.000 0.278 437 K C -0.389 176.269 176.600 0.097 0.000 1.018 437 K CA -0.182 56.171 56.287 0.110 0.000 0.981 437 K CB 0.911 33.490 32.500 0.131 0.000 0.933 437 K HN 0.731 nan 8.250 nan 0.000 0.477 438 R N 1.482 122.030 120.500 0.081 0.000 2.837 438 R HA 0.487 4.823 4.340 -0.008 0.000 0.271 438 R C -0.634 175.700 176.300 0.055 0.000 0.993 438 R CA -1.031 55.106 56.100 0.061 0.000 0.931 438 R CB 1.320 31.640 30.300 0.034 0.000 1.206 438 R HN 0.366 nan 8.270 nan 0.000 0.474 439 I N 1.908 122.507 120.570 0.048 0.000 2.339 439 I HA 0.163 4.328 4.170 -0.008 0.000 0.290 439 I C -0.226 175.875 176.117 -0.027 0.000 0.994 439 I CA -0.748 60.569 61.300 0.028 0.000 1.191 439 I CB 1.240 39.255 38.000 0.025 0.000 1.343 439 I HN 0.511 nan 8.210 nan 0.000 0.458 440 N N 7.168 125.825 118.700 -0.072 0.000 2.415 440 N HA 0.082 4.817 4.740 -0.008 0.000 0.250 440 N C 0.873 176.283 175.510 -0.167 0.000 1.127 440 N CA -0.339 52.588 53.050 -0.206 0.000 0.945 440 N CB 0.916 39.137 38.487 -0.444 0.000 1.196 440 N HN 0.372 nan 8.380 nan 0.000 0.499 441 M N 2.366 121.874 119.600 -0.153 0.000 2.213 441 M HA -0.092 4.384 4.480 -0.008 0.000 0.263 441 M C 1.942 178.106 176.300 -0.226 0.000 1.062 441 M CA 0.801 56.026 55.300 -0.126 0.000 1.105 441 M CB -1.594 30.971 32.600 -0.058 0.000 1.385 441 M HN 0.596 nan 8.290 nan 0.000 0.417 442 A N -0.570 122.113 122.820 -0.228 0.000 1.898 442 A HA -0.169 4.146 4.320 -0.008 0.000 0.216 442 A C 1.992 179.359 177.584 -0.361 0.000 1.181 442 A CA 1.462 53.336 52.037 -0.273 0.000 0.620 442 A CB -1.122 17.922 19.000 0.075 0.000 0.819 442 A HN 0.609 nan 8.150 nan 0.000 0.442 443 H N -1.088 117.765 119.070 -0.361 0.000 2.389 443 H HA -0.008 4.543 4.556 -0.008 0.000 0.299 443 H C 2.107 177.204 175.328 -0.385 0.000 1.081 443 H CA 0.866 56.646 56.048 -0.446 0.000 1.345 443 H CB -0.027 29.694 29.762 -0.070 0.000 1.393 443 H HN 0.375 nan 8.280 nan 0.000 0.520 444 L N 0.389 121.525 121.223 -0.145 0.000 2.017 444 L HA -0.216 4.119 4.340 -0.008 0.000 0.208 444 L C 2.173 178.908 176.870 -0.226 0.000 1.073 444 L CA 1.302 56.058 54.840 -0.141 0.000 0.745 444 L CB -0.408 41.596 42.059 -0.091 0.000 0.894 444 L HN 0.438 nan 8.230 nan 0.000 0.432 445 C N 0.057 119.124 119.300 -0.388 0.000 2.425 445 C HA -0.160 4.296 4.460 -0.008 0.000 0.277 445 C C 2.682 177.422 174.990 -0.415 0.000 1.280 445 C CA 0.538 59.250 59.018 -0.509 0.000 1.744 445 C CB -0.747 26.317 27.740 -1.127 0.000 1.989 445 C HN 0.513 nan 8.230 nan 0.000 0.491 446 I N 1.311 121.591 120.570 -0.483 0.000 2.252 446 I HA -0.176 3.989 4.170 -0.008 0.000 0.245 446 I C 2.764 178.732 176.117 -0.247 0.000 1.102 446 I CA 1.560 62.624 61.300 -0.393 0.000 1.385 446 I CB -0.580 37.039 38.000 -0.635 0.000 1.064 446 I HN 0.259 nan 8.210 nan 0.000 0.414 447 A N 0.688 123.331 122.820 -0.296 0.000 1.902 447 A HA -0.100 4.215 4.320 -0.008 0.000 0.217 447 A C 2.205 179.830 177.584 0.068 0.000 1.181 447 A CA 1.880 53.789 52.037 -0.212 0.000 0.623 447 A CB -1.168 17.521 19.000 -0.518 0.000 0.818 447 A HN 0.472 nan 8.150 nan 0.000 0.443 448 G N -1.056 107.731 108.800 -0.022 0.000 3.371 448 G HA2 0.417 4.372 3.960 -0.008 0.000 0.248 448 G HA3 0.417 4.372 3.960 -0.008 0.000 0.248 448 G C 0.080 174.821 174.900 -0.265 0.000 1.161 448 G CA 0.472 45.432 45.100 -0.233 0.000 0.796 448 G HN 0.346 nan 8.290 nan 0.000 0.539 449 S N -0.387 115.215 115.700 -0.164 0.000 2.536 449 S HA 0.332 4.797 4.470 -0.008 0.000 0.298 449 S C 0.694 175.248 174.600 -0.075 0.000 1.083 449 S CA -0.718 57.417 58.200 -0.108 0.000 0.995 449 S CB 1.292 64.435 63.200 -0.094 0.000 1.058 449 S HN 0.506 nan 8.310 nan 0.000 0.488 450 H N -0.159 118.871 119.070 -0.066 0.000 2.548 450 H HA 0.522 5.073 4.556 -0.008 0.000 0.265 450 H C 0.085 175.394 175.328 -0.033 0.000 0.969 450 H CA 0.222 56.255 56.048 -0.026 0.000 1.155 450 H CB 0.137 29.900 29.762 0.002 0.000 1.394 450 H HN 0.513 nan 8.280 nan 0.000 0.570 451 A N 0.902 123.403 122.820 -0.531 0.000 2.488 451 A HA 0.560 4.876 4.320 -0.008 0.000 0.298 451 A C -1.476 175.905 177.584 -0.338 0.000 1.044 451 A CA -0.564 51.212 52.037 -0.435 0.000 0.693 451 A CB 2.189 20.887 19.000 -0.504 0.000 1.272 451 A HN 0.092 nan 8.150 nan 0.000 0.402 452 V N 4.129 123.812 119.914 -0.385 0.000 2.577 452 V HA 0.544 4.659 4.120 -0.008 0.000 0.303 452 V C -0.806 175.108 176.094 -0.300 0.000 1.042 452 V CA -0.763 61.316 62.300 -0.368 0.000 0.872 452 V CB 1.838 33.317 31.823 -0.573 0.000 0.998 452 V HN 1.028 nan 8.190 nan 0.000 0.423 453 N N 3.054 121.596 118.700 -0.263 0.000 2.262 453 N HA 0.628 5.363 4.740 -0.008 0.000 0.295 453 N C -0.279 175.133 175.510 -0.165 0.000 1.161 453 N CA -0.388 52.547 53.050 -0.191 0.000 0.767 453 N CB 2.902 41.246 38.487 -0.238 0.000 1.499 453 N HN 0.638 nan 8.380 nan 0.000 0.476 454 G N -0.841 107.897 108.800 -0.103 0.000 2.531 454 G HA2 0.426 4.381 3.960 -0.008 0.000 0.313 454 G HA3 0.426 4.381 3.960 -0.008 0.000 0.313 454 G C 0.736 175.694 174.900 0.098 0.000 1.238 454 G CA -0.521 44.565 45.100 -0.023 0.000 0.994 454 G HN 0.620 nan 8.290 nan 0.000 0.493 455 V N -3.607 116.486 119.914 0.299 0.000 3.483 455 V HA 0.691 4.806 4.120 -0.008 0.000 0.301 455 V C 0.553 176.725 176.094 0.131 0.000 1.389 455 V CA 0.321 62.706 62.300 0.141 0.000 1.101 455 V CB -0.799 31.064 31.823 0.067 0.000 0.971 455 V HN 1.335 nan 8.190 nan 0.000 0.434 456 A N -0.092 122.814 122.820 0.144 0.000 2.594 456 A HA 0.624 4.939 4.320 -0.008 0.000 0.296 456 A C 0.698 178.328 177.584 0.076 0.000 1.056 456 A CA -0.102 51.998 52.037 0.104 0.000 0.693 456 A CB 1.206 20.259 19.000 0.088 0.000 1.278 456 A HN 0.043 nan 8.150 nan 0.000 0.408 457 R N 1.012 121.537 120.500 0.041 0.000 2.112 457 R HA -0.186 4.149 4.340 -0.008 0.000 0.242 457 R C 1.676 177.970 176.300 -0.009 0.000 1.137 457 R CA 2.407 58.509 56.100 0.004 0.000 0.944 457 R CB -0.258 30.041 30.300 -0.002 0.000 0.857 457 R HN 0.834 nan 8.270 nan 0.000 0.435 458 I N 0.205 120.779 120.570 0.007 0.000 2.286 458 I HA -0.288 3.877 4.170 -0.008 0.000 0.248 458 I C 2.341 178.462 176.117 0.007 0.000 1.115 458 I CA 1.870 63.166 61.300 -0.006 0.000 1.392 458 I CB -0.239 37.758 38.000 -0.004 0.000 1.065 458 I HN 0.366 nan 8.210 nan 0.000 0.418 459 H N 0.266 119.302 119.070 -0.056 0.000 2.326 459 H HA -0.110 4.441 4.556 -0.008 0.000 0.301 459 H C 2.262 177.544 175.328 -0.076 0.000 1.081 459 H CA 2.162 58.169 56.048 -0.069 0.000 1.334 459 H CB -0.267 29.461 29.762 -0.058 0.000 1.385 459 H HN 0.227 nan 8.280 nan 0.000 0.504 460 S N 0.268 115.835 115.700 -0.222 0.000 2.382 460 S HA -0.119 4.346 4.470 -0.008 0.000 0.228 460 S C 1.891 176.355 174.600 -0.228 0.000 1.027 460 S CA 1.183 59.229 58.200 -0.257 0.000 0.991 460 S CB -0.071 63.057 63.200 -0.121 0.000 0.823 460 S HN 0.481 nan 8.310 nan 0.000 0.469 461 E N 1.136 121.231 120.200 -0.175 0.000 2.072 461 E HA 0.007 4.353 4.350 -0.008 0.000 0.191 461 E C 2.003 178.484 176.600 -0.199 0.000 0.985 461 E CA 0.627 56.919 56.400 -0.181 0.000 0.801 461 E CB -0.336 29.292 29.700 -0.120 0.000 0.750 461 E HN 0.509 nan 8.360 nan 0.000 0.452 462 I N 0.937 121.401 120.570 -0.177 0.000 2.286 462 I HA -0.263 3.902 4.170 -0.008 0.000 0.248 462 I C 2.387 178.368 176.117 -0.227 0.000 1.115 462 I CA 0.732 61.934 61.300 -0.164 0.000 1.392 462 I CB -0.227 37.708 38.000 -0.109 0.000 1.065 462 I HN 0.066 nan 8.210 nan 0.000 0.418 463 L N 0.462 121.500 121.223 -0.308 0.000 2.046 463 L HA -0.231 4.104 4.340 -0.008 0.000 0.208 463 L C 2.470 179.193 176.870 -0.244 0.000 1.077 463 L CA 1.600 56.251 54.840 -0.315 0.000 0.747 463 L CB -0.522 41.395 42.059 -0.237 0.000 0.896 463 L HN 0.218 nan 8.230 nan 0.000 0.432 464 K N -0.108 120.084 120.400 -0.346 0.000 2.228 464 K HA -0.086 4.230 4.320 -0.008 0.000 0.202 464 K C 1.978 178.398 176.600 -0.299 0.000 1.051 464 K CA 0.805 56.775 56.287 -0.528 0.000 0.960 464 K CB 0.095 32.023 32.500 -0.953 0.000 0.743 464 K HN 0.306 nan 8.250 nan 0.000 0.458 465 K N 0.150 120.422 120.400 -0.213 0.000 2.262 465 K HA -0.019 4.296 4.320 -0.008 0.000 0.200 465 K C 1.857 178.410 176.600 -0.077 0.000 1.049 465 K CA 1.343 57.558 56.287 -0.119 0.000 0.979 465 K CB 0.384 32.822 32.500 -0.104 0.000 0.773 465 K HN 0.246 nan 8.250 nan 0.000 0.474 466 T N -0.899 113.598 114.554 -0.096 0.000 2.709 466 T HA 0.074 4.419 4.350 -0.008 0.000 0.174 466 T C 1.923 176.599 174.700 -0.040 0.000 0.774 466 T CA -0.047 62.013 62.100 -0.066 0.000 1.309 466 T CB -0.787 68.031 68.868 -0.082 0.000 2.586 466 T HN 0.113 nan 8.240 nan 0.000 0.401 467 I N -0.833 119.667 120.570 -0.116 0.000 2.399 467 I HA 0.064 4.229 4.170 -0.008 0.000 0.254 467 I C 1.497 177.711 176.117 0.162 0.000 1.146 467 I CA 1.644 62.886 61.300 -0.096 0.000 1.412 467 I CB -0.698 37.093 38.000 -0.350 0.000 1.076 467 I HN 0.288 nan 8.210 nan 0.000 0.432 468 F N 0.689 120.708 119.950 0.116 0.000 2.698 468 F HA 0.293 4.816 4.527 -0.008 0.000 0.304 468 F C 2.049 177.933 175.800 0.140 0.000 1.108 468 F CA -0.673 57.463 58.000 0.227 0.000 1.263 468 F CB 0.204 39.313 39.000 0.182 0.000 1.013 468 F HN -0.072 nan 8.300 nan 0.000 0.532 469 K N 1.132 121.659 120.400 0.212 0.000 2.044 469 K HA -0.222 4.093 4.320 -0.008 0.000 0.210 469 K C 1.348 178.010 176.600 0.102 0.000 1.049 469 K CA 2.235 58.586 56.287 0.106 0.000 0.927 469 K CB -0.019 32.509 32.500 0.046 0.000 0.713 469 K HN 0.157 nan 8.250 nan 0.000 0.443 470 D N -0.133 120.299 120.400 0.054 0.000 2.123 470 D HA -0.166 4.469 4.640 -0.008 0.000 0.196 470 D C 1.850 178.066 176.300 -0.140 0.000 0.992 470 D CA 1.284 55.189 54.000 -0.160 0.000 0.833 470 D CB -0.321 40.276 40.800 -0.338 0.000 0.954 470 D HN 0.248 nan 8.370 nan 0.000 0.455 471 F N -0.021 120.006 119.950 0.128 0.000 2.186 471 F HA -0.159 4.363 4.527 -0.008 0.000 0.299 471 F C 2.363 178.334 175.800 0.284 0.000 1.090 471 F CA 0.548 58.699 58.000 0.252 0.000 1.307 471 F CB -0.676 38.513 39.000 0.315 0.000 1.019 471 F HN -0.026 nan 8.300 nan 0.000 0.489 472 Y N 1.466 121.787 120.300 0.035 0.000 2.224 472 Y HA -0.183 4.363 4.550 -0.008 0.000 0.289 472 Y C 2.049 177.963 175.900 0.024 0.000 1.146 472 Y CA 1.559 59.512 58.100 -0.245 0.000 1.182 472 Y CB -0.644 37.453 38.460 -0.606 0.000 0.983 472 Y HN 0.161 nan 8.280 nan 0.000 0.524 473 E N -0.492 119.650 120.200 -0.098 0.000 2.208 473 E HA -0.159 4.186 4.350 -0.008 0.000 0.193 473 E C 1.954 178.609 176.600 0.091 0.000 0.988 473 E CA 1.066 57.411 56.400 -0.091 0.000 0.828 473 E CB -0.211 29.485 29.700 -0.007 0.000 0.763 473 E HN 0.426 nan 8.360 nan 0.000 0.478 474 L N 1.003 122.324 121.223 0.164 0.000 2.068 474 L HA -0.022 4.313 4.340 -0.008 0.000 0.204 474 L C 0.317 177.280 176.870 0.155 0.000 1.076 474 L CA 1.639 56.606 54.840 0.211 0.000 0.753 474 L CB 0.408 42.591 42.059 0.206 0.000 0.910 474 L HN -0.120 nan 8.230 nan 0.000 0.439 475 E N 0.198 120.497 120.200 0.165 0.000 3.374 475 E HA 0.184 4.529 4.350 -0.008 0.000 0.223 475 E C -1.981 174.594 176.600 -0.042 0.000 1.210 475 E CA -1.301 55.116 56.400 0.028 0.000 0.987 475 E CB 0.783 30.479 29.700 -0.007 0.000 1.322 475 E HN 0.215 nan 8.360 nan 0.000 0.404 476 P HA -0.263 nan 4.420 nan 0.000 0.216 476 P C 1.234 178.670 177.300 0.227 0.000 1.150 476 P CA 1.489 64.582 63.100 -0.012 0.000 0.843 476 P CB -0.043 31.520 31.700 -0.228 0.000 0.787 477 H N 0.392 119.579 119.070 0.195 0.000 2.489 477 H HA 0.020 4.571 4.556 -0.008 0.000 0.293 477 H C 1.512 176.924 175.328 0.139 0.000 1.066 477 H CA 0.917 57.059 56.048 0.157 0.000 1.305 477 H CB -0.857 28.966 29.762 0.102 0.000 1.386 477 H HN 0.180 nan 8.280 nan 0.000 0.551 478 K N 0.321 120.570 120.400 -0.251 0.000 2.211 478 K HA 0.012 4.327 4.320 -0.008 0.000 0.203 478 K C -0.073 176.330 176.600 -0.330 0.000 1.050 478 K CA 0.313 56.432 56.287 -0.278 0.000 0.945 478 K CB 0.022 32.240 32.500 -0.471 0.000 0.732 478 K HN 0.109 nan 8.250 nan 0.000 0.451 479 F N 1.897 121.869 119.950 0.036 0.000 2.445 479 F HA 0.143 4.665 4.527 -0.008 0.000 0.359 479 F C 0.557 176.350 175.800 -0.013 0.000 1.101 479 F CA -0.000 58.018 58.000 0.031 0.000 1.177 479 F CB 0.777 39.838 39.000 0.101 0.000 1.110 479 F HN -0.078 nan 8.300 nan 0.000 0.522 480 Q N 1.777 121.595 119.800 0.031 0.000 2.605 480 Q HA 0.382 4.718 4.340 -0.008 0.000 0.296 480 Q C -1.170 174.784 176.000 -0.077 0.000 1.056 480 Q CA -1.291 54.487 55.803 -0.041 0.000 0.778 480 Q CB 3.091 31.752 28.738 -0.129 0.000 1.497 480 Q HN 0.629 nan 8.270 nan 0.000 0.443 481 N N 0.528 119.164 118.700 -0.108 0.000 2.238 481 N HA 0.300 5.036 4.740 -0.008 0.000 0.302 481 N C -1.559 173.850 175.510 -0.169 0.000 1.072 481 N CA -0.413 52.572 53.050 -0.108 0.000 0.792 481 N CB 1.220 39.666 38.487 -0.067 0.000 1.425 481 N HN 0.295 nan 8.380 nan 0.000 0.478 482 K N 2.647 122.953 120.400 -0.157 0.000 2.803 482 K HA 0.175 4.490 4.320 -0.008 0.000 0.229 482 K C -1.020 175.586 176.600 0.010 0.000 1.084 482 K CA -0.465 55.703 56.287 -0.197 0.000 1.063 482 K CB 1.128 33.288 32.500 -0.566 0.000 1.254 482 K HN 0.556 nan 8.250 nan 0.000 0.551 483 T N 2.010 116.588 114.554 0.039 0.000 2.908 483 T HA 0.045 4.390 4.350 -0.008 0.000 0.301 483 T C 0.827 175.651 174.700 0.206 0.000 1.019 483 T CA 0.415 62.588 62.100 0.122 0.000 1.152 483 T CB 0.267 69.207 68.868 0.121 0.000 0.966 483 T HN 0.348 nan 8.240 nan 0.000 0.540 484 N N 0.621 119.466 118.700 0.241 0.000 2.267 484 N HA 0.405 5.141 4.740 -0.008 0.000 0.226 484 N C 0.502 176.196 175.510 0.307 0.000 1.314 484 N CA -0.147 53.081 53.050 0.295 0.000 0.887 484 N CB 0.365 38.968 38.487 0.193 0.000 1.120 484 N HN 0.768 nan 8.380 nan 0.000 0.440 485 G N -0.780 108.208 108.800 0.313 0.000 2.645 485 G HA2 0.574 4.529 3.960 -0.008 0.000 0.292 485 G HA3 0.574 4.529 3.960 -0.008 0.000 0.292 485 G C -1.482 173.551 174.900 0.221 0.000 1.415 485 G CA -0.745 44.525 45.100 0.284 0.000 0.785 485 G HN 0.596 nan 8.290 nan 0.000 0.483 486 I N -2.295 118.391 120.570 0.192 0.000 2.828 486 I HA 0.755 4.920 4.170 -0.008 0.000 0.302 486 I C -0.268 176.005 176.117 0.260 0.000 1.101 486 I CA -0.941 60.465 61.300 0.176 0.000 1.031 486 I CB 2.422 40.417 38.000 -0.009 0.000 1.231 486 I HN 0.518 nan 8.210 nan 0.000 0.427 487 T N 4.322 119.083 114.554 0.346 0.000 2.814 487 T HA 0.345 4.690 4.350 -0.008 0.000 0.297 487 T C -1.356 173.465 174.700 0.202 0.000 0.956 487 T CA -1.584 60.646 62.100 0.217 0.000 1.123 487 T CB 0.766 69.710 68.868 0.127 0.000 0.902 487 T HN 0.649 nan 8.240 nan 0.000 0.528 488 P HA 0.039 nan 4.420 nan 0.000 0.237 488 P C 1.046 178.317 177.300 -0.049 0.000 1.178 488 P CA 0.301 63.439 63.100 0.063 0.000 0.766 488 P CB 0.389 32.109 31.700 0.033 0.000 0.876 489 R N 0.541 120.968 120.500 -0.121 0.000 2.060 489 R HA 0.017 4.353 4.340 -0.008 0.000 0.225 489 R C 2.722 178.905 176.300 -0.194 0.000 1.155 489 R CA 1.538 57.525 56.100 -0.189 0.000 0.930 489 R CB -1.253 28.942 30.300 -0.176 0.000 0.829 489 R HN 0.037 nan 8.270 nan 0.000 0.433 490 R N -0.725 119.601 120.500 -0.291 0.000 2.075 490 R HA -0.120 4.216 4.340 -0.008 0.000 0.232 490 R C 1.006 176.931 176.300 -0.626 0.000 1.126 490 R CA 1.619 57.389 56.100 -0.550 0.000 0.963 490 R CB -0.185 29.607 30.300 -0.846 0.000 0.858 490 R HN 0.294 nan 8.270 nan 0.000 0.435 491 W N -0.027 121.229 121.300 -0.073 0.000 3.438 491 W HA 0.153 4.807 4.660 -0.009 0.000 0.322 491 W C 0.858 177.347 176.519 -0.051 0.000 1.261 491 W CA -0.672 56.629 57.345 -0.073 0.000 1.788 491 W CB 0.364 29.785 29.460 -0.065 0.000 1.065 491 W HN 0.235 nan 8.180 nan 0.000 0.715 492 L N -2.453 118.814 121.223 0.074 0.000 2.604 492 L HA 0.163 4.498 4.340 -0.008 0.000 0.150 492 L C 1.749 178.632 176.870 0.022 0.000 1.292 492 L CA 0.678 55.563 54.840 0.075 0.000 0.977 492 L CB -0.848 41.282 42.059 0.118 0.000 1.943 492 L HN -0.268 nan 8.230 nan 0.000 0.508 493 V N 1.289 121.195 119.914 -0.013 0.000 2.287 493 V HA -0.283 3.833 4.120 -0.008 0.000 0.248 493 V C 2.433 178.499 176.094 -0.047 0.000 1.053 493 V CA 2.544 64.828 62.300 -0.027 0.000 1.027 493 V CB -0.670 31.111 31.823 -0.070 0.000 0.646 493 V HN 0.515 nan 8.190 nan 0.000 0.447 494 L N 0.436 121.600 121.223 -0.098 0.000 2.023 494 L HA -0.179 4.156 4.340 -0.008 0.000 0.205 494 L C 2.478 179.280 176.870 -0.113 0.000 1.073 494 L CA 2.370 57.135 54.840 -0.124 0.000 0.745 494 L CB -0.257 41.677 42.059 -0.208 0.000 0.900 494 L HN 0.655 nan 8.230 nan 0.000 0.435 495 C N -1.779 117.447 119.300 -0.124 0.000 2.563 495 C HA 0.206 4.661 4.460 -0.008 0.000 0.268 495 C C 1.201 176.170 174.990 -0.034 0.000 1.365 495 C CA -0.290 58.675 59.018 -0.089 0.000 1.754 495 C CB -1.022 26.662 27.740 -0.093 0.000 1.932 495 C HN 0.593 nan 8.230 nan 0.000 0.536 496 N N 1.161 119.853 118.700 -0.014 0.000 2.703 496 N HA 0.269 5.004 4.740 -0.008 0.000 0.283 496 N C -1.645 173.875 175.510 0.016 0.000 1.851 496 N CA -1.594 51.460 53.050 0.006 0.000 0.826 496 N CB 0.687 39.187 38.487 0.022 0.000 1.239 496 N HN 0.257 nan 8.380 nan 0.000 0.495 497 P HA -0.078 nan 4.420 nan 0.000 0.218 497 P C 1.394 178.708 177.300 0.023 0.000 1.148 497 P CA 1.013 64.123 63.100 0.016 0.000 0.822 497 P CB 0.200 31.902 31.700 0.003 0.000 0.784 498 G N 0.443 109.252 108.800 0.014 0.000 2.442 498 G HA2 -0.240 3.715 3.960 -0.008 0.000 0.219 498 G HA3 -0.240 3.715 3.960 -0.008 0.000 0.219 498 G C 1.529 176.435 174.900 0.011 0.000 1.141 498 G CA 0.640 45.745 45.100 0.009 0.000 0.763 498 G HN 0.263 nan 8.290 nan 0.000 0.554 499 L N 1.098 122.331 121.223 0.016 0.000 2.095 499 L HA 0.345 4.680 4.340 -0.008 0.000 0.204 499 L C 3.008 179.910 176.870 0.054 0.000 1.080 499 L CA 1.877 56.727 54.840 0.016 0.000 0.759 499 L CB -0.678 41.392 42.059 0.018 0.000 0.914 499 L HN 0.204 nan 8.230 nan 0.000 0.439 500 A N -0.759 122.115 122.820 0.089 0.000 1.933 500 A HA -0.232 4.083 4.320 -0.008 0.000 0.218 500 A C 2.221 179.904 177.584 0.165 0.000 1.175 500 A CA 1.746 53.889 52.037 0.177 0.000 0.628 500 A CB -0.607 18.489 19.000 0.160 0.000 0.814 500 A HN 0.528 nan 8.150 nan 0.000 0.444 501 E N 0.715 120.972 120.200 0.094 0.000 2.028 501 E HA -0.158 4.187 4.350 -0.008 0.000 0.191 501 E C 1.871 178.510 176.600 0.065 0.000 0.988 501 E CA 1.604 58.048 56.400 0.074 0.000 0.799 501 E CB -0.512 29.213 29.700 0.042 0.000 0.755 501 E HN 0.729 nan 8.360 nan 0.000 0.447 502 I N -1.658 118.944 120.570 0.053 0.000 2.454 502 I HA -0.151 4.014 4.170 -0.008 0.000 0.254 502 I C 2.132 178.316 176.117 0.112 0.000 1.156 502 I CA 1.127 62.470 61.300 0.072 0.000 1.433 502 I CB -0.351 37.674 38.000 0.042 0.000 1.082 502 I HN 0.025 nan 8.210 nan 0.000 0.432 503 I N 1.877 122.493 120.570 0.076 0.000 2.233 503 I HA -0.162 4.004 4.170 -0.008 0.000 0.243 503 I C 3.024 179.097 176.117 -0.073 0.000 1.093 503 I CA 1.250 62.525 61.300 -0.041 0.000 1.380 503 I CB -0.443 37.417 38.000 -0.233 0.000 1.067 503 I HN 0.285 nan 8.210 nan 0.000 0.413 504 A N 0.474 123.343 122.820 0.082 0.000 1.940 504 A HA -0.240 4.075 4.320 -0.008 0.000 0.219 504 A C 2.149 179.767 177.584 0.057 0.000 1.176 504 A CA 1.690 53.827 52.037 0.167 0.000 0.631 504 A CB -0.624 18.502 19.000 0.211 0.000 0.814 504 A HN 0.444 nan 8.150 nan 0.000 0.446 505 E N -0.684 119.530 120.200 0.023 0.000 2.118 505 E HA -0.211 4.134 4.350 -0.008 0.000 0.195 505 E C 2.256 178.822 176.600 -0.057 0.000 0.992 505 E CA 1.257 57.653 56.400 -0.006 0.000 0.804 505 E CB -0.072 29.627 29.700 -0.002 0.000 0.741 505 E HN 0.505 nan 8.360 nan 0.000 0.458 506 R N 0.111 120.524 120.500 -0.145 0.000 2.105 506 R HA 0.080 4.415 4.340 -0.008 0.000 0.214 506 R C 2.292 178.521 176.300 -0.118 0.000 1.091 506 R CA 0.874 56.818 56.100 -0.260 0.000 1.007 506 R CB -0.145 29.702 30.300 -0.756 0.000 0.912 506 R HN 0.324 nan 8.270 nan 0.000 0.450 507 I N -2.919 117.599 120.570 -0.086 0.000 4.081 507 I HA 0.443 4.608 4.170 -0.008 0.000 0.333 507 I C 0.380 176.542 176.117 0.074 0.000 1.413 507 I CA -0.014 61.288 61.300 0.003 0.000 1.110 507 I CB 0.838 38.829 38.000 -0.016 0.000 1.082 507 I HN 0.169 nan 8.210 nan 0.000 0.402 508 G N 2.108 110.961 108.800 0.089 0.000 2.660 508 G HA2 -0.201 3.754 3.960 -0.008 0.000 0.247 508 G HA3 -0.201 3.754 3.960 -0.008 0.000 0.247 508 G C -0.092 174.941 174.900 0.222 0.000 1.328 508 G CA 0.105 45.279 45.100 0.122 0.000 0.884 508 G HN 0.432 nan 8.290 nan 0.000 0.531 509 E N -0.425 119.856 120.200 0.136 0.000 2.476 509 E HA 0.078 4.423 4.350 -0.008 0.000 0.199 509 E C 1.839 178.392 176.600 -0.078 0.000 1.021 509 E CA -0.048 56.377 56.400 0.041 0.000 0.907 509 E CB 0.302 30.015 29.700 0.022 0.000 0.974 509 E HN 0.445 nan 8.360 nan 0.000 0.489 510 E N 0.740 120.964 120.200 0.040 0.000 2.160 510 E HA -0.203 4.142 4.350 -0.008 0.000 0.195 510 E C 1.794 178.385 176.600 -0.015 0.000 0.991 510 E CA 1.090 57.504 56.400 0.024 0.000 0.810 510 E CB -0.093 29.647 29.700 0.067 0.000 0.742 510 E HN 0.525 nan 8.360 nan 0.000 0.466 511 Y N -0.837 119.466 120.300 0.006 0.000 2.403 511 Y HA -0.061 4.485 4.550 -0.006 0.000 0.291 511 Y C 2.034 177.909 175.900 -0.041 0.000 1.143 511 Y CA 0.639 58.734 58.100 -0.008 0.000 1.257 511 Y CB -0.893 37.567 38.460 0.000 0.000 0.984 511 Y HN -0.080 nan 8.280 nan 0.000 0.550 512 I N 0.951 121.001 120.570 -0.867 0.000 2.423 512 I HA -0.250 3.916 4.170 -0.008 0.000 0.254 512 I C 1.710 177.552 176.117 -0.457 0.000 1.151 512 I CA 1.879 62.737 61.300 -0.735 0.000 1.421 512 I CB -0.388 37.107 38.000 -0.842 0.000 1.079 512 I HN 0.507 nan 8.210 nan 0.000 0.431 513 S N -2.164 113.378 115.700 -0.264 0.000 2.749 513 S HA 0.173 4.638 4.470 -0.008 0.000 0.246 513 S C 0.148 174.723 174.600 -0.041 0.000 1.023 513 S CA -0.496 57.628 58.200 -0.127 0.000 1.012 513 S CB 0.371 63.570 63.200 -0.001 0.000 0.942 513 S HN 0.299 nan 8.310 nan 0.000 0.531 514 D N 0.664 121.049 120.400 -0.026 0.000 3.118 514 D HA 0.195 4.830 4.640 -0.008 0.000 0.259 514 D C 0.398 176.737 176.300 0.064 0.000 1.292 514 D CA -0.371 53.642 54.000 0.020 0.000 0.784 514 D CB 0.292 41.110 40.800 0.030 0.000 1.413 514 D HN 0.107 nan 8.370 nan 0.000 0.583 515 L N 1.151 122.413 121.223 0.066 0.000 2.263 515 L HA -0.066 4.270 4.340 -0.008 0.000 0.216 515 L C 1.471 178.395 176.870 0.090 0.000 1.111 515 L CA 1.628 56.539 54.840 0.119 0.000 0.773 515 L CB -0.096 42.024 42.059 0.101 0.000 0.906 515 L HN 0.284 nan 8.230 nan 0.000 0.439 516 D N -0.853 119.575 120.400 0.046 0.000 2.263 516 D HA -0.209 4.426 4.640 -0.008 0.000 0.208 516 D C 1.909 178.230 176.300 0.035 0.000 0.971 516 D CA 0.800 54.813 54.000 0.021 0.000 0.867 516 D CB 0.061 40.860 40.800 -0.001 0.000 0.929 516 D HN 0.563 nan 8.370 nan 0.000 0.492 517 Q N -0.024 119.816 119.800 0.066 0.000 2.439 517 Q HA -0.046 4.289 4.340 -0.008 0.000 0.211 517 Q C 2.226 178.247 176.000 0.035 0.000 0.978 517 Q CA 0.220 56.062 55.803 0.066 0.000 0.897 517 Q CB 0.040 28.846 28.738 0.114 0.000 0.956 517 Q HN 0.391 nan 8.270 nan 0.000 0.483 518 L N -0.014 121.225 121.223 0.027 0.000 2.353 518 L HA -0.174 4.161 4.340 -0.008 0.000 0.220 518 L C 2.200 179.068 176.870 -0.004 0.000 1.133 518 L CA 0.824 55.647 54.840 -0.029 0.000 0.798 518 L CB -0.315 41.739 42.059 -0.008 0.000 0.922 518 L HN 0.190 nan 8.230 nan 0.000 0.445 519 R N 0.311 120.817 120.500 0.009 0.000 2.159 519 R HA -0.160 4.175 4.340 -0.008 0.000 0.237 519 R C 2.060 178.361 176.300 0.002 0.000 1.131 519 R CA 0.984 57.089 56.100 0.007 0.000 0.982 519 R CB -0.142 30.158 30.300 0.000 0.000 0.868 519 R HN 0.372 nan 8.270 nan 0.000 0.453 520 K N 0.540 120.941 120.400 0.002 0.000 2.360 520 K HA -0.087 4.228 4.320 -0.008 0.000 0.201 520 K C 1.745 178.367 176.600 0.037 0.000 1.046 520 K CA 0.765 57.055 56.287 0.005 0.000 0.945 520 K CB -0.015 32.498 32.500 0.023 0.000 0.750 520 K HN 0.222 nan 8.250 nan 0.000 0.464 521 L N 0.496 121.742 121.223 0.039 0.000 2.465 521 L HA -0.132 4.203 4.340 -0.008 0.000 0.224 521 L C 1.835 178.756 176.870 0.086 0.000 1.145 521 L CA 0.069 54.956 54.840 0.079 0.000 0.834 521 L CB -0.218 41.852 42.059 0.019 0.000 0.944 521 L HN 0.124 nan 8.230 nan 0.000 0.451 522 L N 0.020 121.259 121.223 0.026 0.000 2.191 522 L HA -0.167 4.168 4.340 -0.008 0.000 0.212 522 L C 2.583 179.420 176.870 -0.056 0.000 1.103 522 L CA 1.749 56.592 54.840 0.005 0.000 0.769 522 L CB -0.675 41.378 42.059 -0.010 0.000 0.908 522 L HN 0.329 nan 8.230 nan 0.000 0.438 523 S N -2.875 112.725 115.700 -0.167 0.000 2.650 523 S HA -0.022 4.443 4.470 -0.008 0.000 0.219 523 S C 1.026 175.312 174.600 -0.524 0.000 0.960 523 S CA 0.091 58.089 58.200 -0.337 0.000 0.925 523 S CB -0.468 62.471 63.200 -0.435 0.000 0.775 523 S HN 0.435 nan 8.310 nan 0.000 0.525 524 Y N -0.614 119.617 120.300 -0.115 0.000 2.500 524 Y HA 0.423 4.971 4.550 -0.004 0.000 0.246 524 Y C 1.862 177.792 175.900 0.051 0.000 1.146 524 Y CA -0.745 57.283 58.100 -0.121 0.000 1.230 524 Y CB 0.136 38.316 38.460 -0.466 0.000 1.214 524 Y HN 0.259 nan 8.280 nan 0.000 0.526 525 V N 0.461 120.462 119.914 0.146 0.000 2.720 525 V HA -0.222 3.893 4.120 -0.008 0.000 0.256 525 V C 0.900 177.066 176.094 0.119 0.000 1.082 525 V CA 2.324 64.714 62.300 0.149 0.000 1.101 525 V CB -0.000 31.870 31.823 0.079 0.000 0.693 525 V HN 0.316 nan 8.190 nan 0.000 0.479 526 D N -0.829 119.622 120.400 0.085 0.000 2.398 526 D HA 0.120 4.756 4.640 -0.008 0.000 0.210 526 D C 0.399 176.752 176.300 0.088 0.000 1.094 526 D CA 0.013 54.053 54.000 0.066 0.000 0.839 526 D CB 0.047 40.862 40.800 0.026 0.000 0.963 526 D HN 0.430 nan 8.370 nan 0.000 0.506 527 D N 1.388 121.876 120.400 0.147 0.000 2.344 527 D HA -0.024 4.611 4.640 -0.008 0.000 0.253 527 D C 1.220 177.628 176.300 0.179 0.000 1.255 527 D CA 0.009 54.118 54.000 0.180 0.000 0.894 527 D CB 1.312 42.293 40.800 0.302 0.000 1.067 527 D HN -0.213 nan 8.370 nan 0.000 0.492 528 E N 3.140 123.409 120.200 0.115 0.000 2.160 528 E HA -0.172 4.173 4.350 -0.008 0.000 0.195 528 E C 1.698 178.351 176.600 0.088 0.000 0.991 528 E CA 1.447 57.898 56.400 0.085 0.000 0.810 528 E CB -0.013 29.721 29.700 0.056 0.000 0.742 528 E HN 0.595 nan 8.360 nan 0.000 0.466 529 A N -0.446 122.441 122.820 0.112 0.000 1.873 529 A HA -0.122 4.193 4.320 -0.008 0.000 0.215 529 A C 2.212 179.874 177.584 0.130 0.000 1.186 529 A CA 1.240 53.338 52.037 0.101 0.000 0.616 529 A CB -0.926 18.135 19.000 0.102 0.000 0.823 529 A HN 0.426 nan 8.150 nan 0.000 0.442 530 F N 0.497 120.452 119.950 0.009 0.000 2.134 530 F HA -0.152 4.371 4.527 -0.007 0.000 0.299 530 F C 2.055 177.855 175.800 0.001 0.000 1.097 530 F CA 1.606 59.595 58.000 -0.018 0.000 1.264 530 F CB -0.104 38.889 39.000 -0.013 0.000 1.001 530 F HN 0.161 nan 8.300 nan 0.000 0.479 531 I N 0.145 120.750 120.570 0.057 0.000 2.194 531 I HA -0.357 3.809 4.170 -0.008 0.000 0.246 531 I C 2.563 178.627 176.117 -0.088 0.000 1.093 531 I CA 1.672 62.951 61.300 -0.035 0.000 1.355 531 I CB -0.513 37.514 38.000 0.044 0.000 1.046 531 I HN 0.115 nan 8.210 nan 0.000 0.413 532 R N 0.873 121.345 120.500 -0.047 0.000 2.092 532 R HA -0.174 4.161 4.340 -0.008 0.000 0.231 532 R C 1.862 178.109 176.300 -0.090 0.000 1.119 532 R CA 1.730 57.799 56.100 -0.051 0.000 0.970 532 R CB -0.085 30.204 30.300 -0.019 0.000 0.864 532 R HN 0.292 nan 8.270 nan 0.000 0.440 533 D N -0.323 120.002 120.400 -0.126 0.000 2.117 533 D HA -0.112 4.523 4.640 -0.008 0.000 0.198 533 D C 1.919 178.085 176.300 -0.223 0.000 0.982 533 D CA 1.113 55.023 54.000 -0.150 0.000 0.828 533 D CB -0.105 40.618 40.800 -0.128 0.000 0.967 533 D HN 0.087 nan 8.370 nan 0.000 0.464 534 V N 1.563 121.252 119.914 -0.376 0.000 2.295 534 V HA -0.237 3.879 4.120 -0.008 0.000 0.246 534 V C 2.541 178.540 176.094 -0.158 0.000 1.049 534 V CA 1.898 63.992 62.300 -0.342 0.000 1.024 534 V CB -0.787 30.768 31.823 -0.448 0.000 0.648 534 V HN 0.182 nan 8.190 nan 0.000 0.447 535 A N -0.590 122.159 122.820 -0.118 0.000 1.969 535 A HA -0.232 4.083 4.320 -0.008 0.000 0.218 535 A C 2.344 179.891 177.584 -0.063 0.000 1.169 535 A CA 2.014 54.015 52.037 -0.060 0.000 0.635 535 A CB -0.428 18.541 19.000 -0.051 0.000 0.810 535 A HN 0.533 nan 8.150 nan 0.000 0.445 536 K N -0.263 120.093 120.400 -0.073 0.000 2.062 536 K HA -0.050 4.265 4.320 -0.008 0.000 0.205 536 K C 1.789 178.359 176.600 -0.049 0.000 1.051 536 K CA 1.380 57.633 56.287 -0.057 0.000 0.941 536 K CB -0.209 32.259 32.500 -0.053 0.000 0.719 536 K HN 0.214 nan 8.250 nan 0.000 0.440 537 V N 1.829 121.707 119.914 -0.059 0.000 2.343 537 V HA -0.246 3.869 4.120 -0.008 0.000 0.247 537 V C 2.365 178.442 176.094 -0.029 0.000 1.051 537 V CA 1.976 64.251 62.300 -0.042 0.000 1.036 537 V CB -0.442 31.349 31.823 -0.053 0.000 0.654 537 V HN 0.348 nan 8.190 nan 0.000 0.451 538 K N 0.526 120.907 120.400 -0.031 0.000 2.026 538 K HA -0.221 4.094 4.320 -0.008 0.000 0.208 538 K C 2.164 178.736 176.600 -0.046 0.000 1.048 538 K CA 1.809 58.085 56.287 -0.020 0.000 0.929 538 K CB -0.521 31.982 32.500 0.006 0.000 0.713 538 K HN 0.382 nan 8.250 nan 0.000 0.439 539 Q N 1.066 120.833 119.800 -0.055 0.000 2.084 539 Q HA -0.133 4.202 4.340 -0.008 0.000 0.202 539 Q C 1.663 177.639 176.000 -0.039 0.000 0.978 539 Q CA 2.044 57.806 55.803 -0.069 0.000 0.844 539 Q CB -0.112 28.589 28.738 -0.061 0.000 0.898 539 Q HN 0.531 nan 8.270 nan 0.000 0.426 540 E N -0.520 119.668 120.200 -0.020 0.000 2.077 540 E HA -0.156 4.189 4.350 -0.008 0.000 0.193 540 E C 1.768 178.386 176.600 0.030 0.000 0.989 540 E CA 0.986 57.389 56.400 0.004 0.000 0.800 540 E CB -0.084 29.617 29.700 0.001 0.000 0.746 540 E HN 0.425 nan 8.360 nan 0.000 0.452 541 N N 1.039 119.754 118.700 0.026 0.000 2.120 541 N HA -0.134 4.601 4.740 -0.008 0.000 0.188 541 N C 1.518 177.100 175.510 0.120 0.000 1.024 541 N CA 1.052 54.138 53.050 0.059 0.000 0.852 541 N CB -0.088 38.418 38.487 0.033 0.000 1.003 541 N HN 0.145 nan 8.380 nan 0.000 0.424 542 K N 0.630 121.063 120.400 0.055 0.000 2.097 542 K HA 0.029 4.344 4.320 -0.008 0.000 0.205 542 K C 2.125 178.847 176.600 0.203 0.000 1.050 542 K CA 0.594 56.930 56.287 0.081 0.000 0.938 542 K CB -0.118 32.160 32.500 -0.370 0.000 0.718 542 K HN 0.107 nan 8.250 nan 0.000 0.442 543 L N 1.173 122.458 121.223 0.104 0.000 2.046 543 L HA -0.189 4.146 4.340 -0.008 0.000 0.208 543 L C 2.621 179.579 176.870 0.147 0.000 1.077 543 L CA 1.294 56.199 54.840 0.109 0.000 0.747 543 L CB -0.317 41.775 42.059 0.054 0.000 0.896 543 L HN 0.167 nan 8.230 nan 0.000 0.432 544 K N -0.304 120.188 120.400 0.154 0.000 2.097 544 K HA -0.232 4.084 4.320 -0.008 0.000 0.206 544 K C 2.156 178.908 176.600 0.253 0.000 1.049 544 K CA 1.495 57.883 56.287 0.168 0.000 0.933 544 K CB -0.109 32.476 32.500 0.142 0.000 0.717 544 K HN 0.094 nan 8.250 nan 0.000 0.442 545 F N 1.011 121.054 119.950 0.155 0.000 2.234 545 F HA 0.064 4.586 4.527 -0.008 0.000 0.296 545 F C 1.951 177.899 175.800 0.247 0.000 1.089 545 F CA 0.957 59.068 58.000 0.184 0.000 1.343 545 F CB -0.365 38.746 39.000 0.185 0.000 1.040 545 F HN 0.061 nan 8.300 nan 0.000 0.498 546 A N 0.205 123.168 122.820 0.238 0.000 1.972 546 A HA -0.031 4.284 4.320 -0.008 0.000 0.219 546 A C 2.381 179.992 177.584 0.044 0.000 1.169 546 A CA 1.641 53.757 52.037 0.131 0.000 0.635 546 A CB -1.402 17.736 19.000 0.231 0.000 0.810 546 A HN 0.428 nan 8.150 nan 0.000 0.446 547 A N -1.589 121.276 122.820 0.075 0.000 1.929 547 A HA -0.023 4.292 4.320 -0.008 0.000 0.216 547 A C 2.096 179.698 177.584 0.031 0.000 1.176 547 A CA 1.462 53.526 52.037 0.045 0.000 0.628 547 A CB -0.729 18.308 19.000 0.062 0.000 0.816 547 A HN 0.730 nan 8.150 nan 0.000 0.444 548 Y N 0.700 120.945 120.300 -0.092 0.000 2.181 548 Y HA -0.142 4.403 4.550 -0.008 0.000 0.288 548 Y C 1.843 177.652 175.900 -0.153 0.000 1.146 548 Y CA 1.704 59.733 58.100 -0.118 0.000 1.164 548 Y CB -0.303 38.092 38.460 -0.107 0.000 0.982 548 Y HN 0.203 nan 8.280 nan 0.000 0.515 549 L N 0.080 121.275 121.223 -0.047 0.000 2.127 549 L HA -0.215 4.120 4.340 -0.008 0.000 0.211 549 L C 2.208 179.068 176.870 -0.016 0.000 1.089 549 L CA 1.812 56.636 54.840 -0.026 0.000 0.757 549 L CB -0.468 41.517 42.059 -0.124 0.000 0.899 549 L HN 0.349 nan 8.230 nan 0.000 0.434 550 E N -0.538 119.640 120.200 -0.037 0.000 2.170 550 E HA -0.097 4.248 4.350 -0.008 0.000 0.191 550 E C 2.256 178.810 176.600 -0.077 0.000 0.981 550 E CA 0.273 56.672 56.400 -0.002 0.000 0.830 550 E CB 0.124 29.830 29.700 0.010 0.000 0.775 550 E HN 0.433 nan 8.360 nan 0.000 0.470 551 R N 1.051 121.456 120.500 -0.159 0.000 2.075 551 R HA -0.135 4.200 4.340 -0.008 0.000 0.230 551 R C 1.936 178.049 176.300 -0.312 0.000 1.140 551 R CA 1.448 57.422 56.100 -0.210 0.000 0.928 551 R CB -0.096 30.067 30.300 -0.228 0.000 0.834 551 R HN -0.015 nan 8.270 nan 0.000 0.429 552 E N -1.296 118.558 120.200 -0.576 0.000 2.385 552 E HA -0.024 4.321 4.350 -0.008 0.000 0.194 552 E C 0.331 176.455 176.600 -0.792 0.000 1.013 552 E CA 0.708 56.653 56.400 -0.759 0.000 0.866 552 E CB 0.443 29.447 29.700 -1.159 0.000 0.832 552 E HN 0.369 nan 8.360 nan 0.000 0.500 553 Y N -0.186 120.006 120.300 -0.179 0.000 2.563 553 Y HA 0.266 4.811 4.550 -0.008 0.000 0.250 553 Y C -0.287 175.587 175.900 -0.043 0.000 1.126 553 Y CA -0.768 57.285 58.100 -0.078 0.000 1.231 553 Y CB 0.665 39.096 38.460 -0.050 0.000 1.288 553 Y HN -0.310 nan 8.280 nan 0.000 0.537 554 K N 1.317 121.751 120.400 0.057 0.000 4.418 554 K HA -0.114 4.201 4.320 -0.008 0.000 0.285 554 K C -0.848 175.803 176.600 0.086 0.000 0.874 554 K CA 0.854 57.184 56.287 0.072 0.000 0.844 554 K CB -1.756 30.774 32.500 0.050 0.000 1.691 554 K HN 0.261 nan 8.250 nan 0.000 0.433 555 V N -1.625 118.362 119.914 0.122 0.000 2.711 555 V HA 0.408 4.523 4.120 -0.008 0.000 0.304 555 V C 0.069 176.282 176.094 0.198 0.000 1.097 555 V CA -1.000 61.350 62.300 0.084 0.000 0.906 555 V CB 1.762 33.609 31.823 0.040 0.000 1.015 555 V HN 0.462 nan 8.190 nan 0.000 0.427 556 H N 5.498 124.557 119.070 -0.018 0.000 2.548 556 H HA 0.815 5.366 4.556 -0.008 0.000 0.331 556 H C -0.146 175.173 175.328 -0.016 0.000 1.093 556 H CA -0.332 55.709 56.048 -0.013 0.000 1.367 556 H CB 1.966 31.721 29.762 -0.012 0.000 1.455 556 H HN 0.903 nan 8.280 nan 0.000 0.519 557 I N -0.218 120.427 120.570 0.124 0.000 2.827 557 I HA 0.310 4.475 4.170 -0.008 0.000 0.298 557 I C -0.915 175.275 176.117 0.122 0.000 1.235 557 I CA -1.311 60.041 61.300 0.087 0.000 1.021 557 I CB 2.305 40.328 38.000 0.039 0.000 1.259 557 I HN 0.378 nan 8.210 nan 0.000 0.427 558 N N 5.654 124.432 118.700 0.130 0.000 2.402 558 N HA 0.385 5.120 4.740 -0.008 0.000 0.252 558 N C -1.982 173.655 175.510 0.212 0.000 1.118 558 N CA -2.132 50.998 53.050 0.134 0.000 0.945 558 N CB 1.018 39.561 38.487 0.094 0.000 1.147 558 N HN 0.382 nan 8.380 nan 0.000 0.495 559 P HA -0.066 nan 4.420 nan 0.000 0.226 559 P C 0.067 177.362 177.300 -0.008 0.000 1.146 559 P CA 1.179 64.351 63.100 0.120 0.000 0.773 559 P CB 0.143 31.888 31.700 0.075 0.000 0.772 560 N N -1.247 117.476 118.700 0.039 0.000 2.424 560 N HA 0.000 4.735 4.740 -0.008 0.000 0.178 560 N C 0.564 176.108 175.510 0.057 0.000 1.060 560 N CA -0.068 52.995 53.050 0.021 0.000 0.901 560 N CB 0.048 38.556 38.487 0.035 0.000 0.979 560 N HN 0.203 nan 8.380 nan 0.000 0.451 561 S N 0.597 116.348 115.700 0.084 0.000 2.608 561 S HA 0.169 4.634 4.470 -0.008 0.000 0.261 561 S C 0.044 174.631 174.600 -0.021 0.000 1.314 561 S CA -0.799 57.440 58.200 0.065 0.000 0.992 561 S CB 1.125 64.387 63.200 0.103 0.000 0.935 561 S HN 0.179 nan 8.310 nan 0.000 0.564 562 L N 1.729 122.792 121.223 -0.267 0.000 2.360 562 L HA 0.404 4.739 4.340 -0.008 0.000 0.276 562 L C -0.916 175.944 176.870 -0.017 0.000 1.121 562 L CA -0.642 53.842 54.840 -0.593 0.000 0.845 562 L CB -0.065 41.314 42.059 -1.134 0.000 1.143 562 L HN 0.715 nan 8.230 nan 0.000 0.452 563 F N 4.183 124.004 119.950 -0.214 0.000 2.405 563 F HA 0.109 4.632 4.527 -0.007 0.000 0.358 563 F C 0.370 176.109 175.800 -0.102 0.000 1.151 563 F CA -0.830 57.114 58.000 -0.094 0.000 1.161 563 F CB 0.598 39.592 39.000 -0.010 0.000 1.245 563 F HN 0.527 nan 8.300 nan 0.000 0.545 564 D N 4.947 125.355 120.400 0.014 0.000 2.428 564 D HA 0.233 4.869 4.640 -0.008 0.000 0.221 564 D C -1.018 175.230 176.300 -0.087 0.000 1.123 564 D CA -0.035 53.929 54.000 -0.061 0.000 0.869 564 D CB 1.309 42.057 40.800 -0.086 0.000 1.032 564 D HN 0.267 nan 8.370 nan 0.000 0.506 565 V N 2.806 122.655 119.914 -0.108 0.000 2.656 565 V HA 0.578 4.693 4.120 -0.008 0.000 0.307 565 V C -1.390 174.565 176.094 -0.230 0.000 1.051 565 V CA -0.688 61.531 62.300 -0.136 0.000 0.893 565 V CB 1.916 33.713 31.823 -0.044 0.000 0.999 565 V HN 0.508 nan 8.190 nan 0.000 0.426 566 Q N 4.441 124.116 119.800 -0.208 0.000 2.394 566 Q HA 0.664 5.000 4.340 -0.008 0.000 0.261 566 Q C -1.476 174.365 176.000 -0.265 0.000 1.023 566 Q CA -0.641 55.023 55.803 -0.231 0.000 0.720 566 Q CB 1.886 30.515 28.738 -0.181 0.000 1.241 566 Q HN 1.147 nan 8.270 nan 0.000 0.483 567 V N 1.815 121.560 119.914 -0.281 0.000 2.487 567 V HA 0.871 4.986 4.120 -0.008 0.000 0.298 567 V C -0.875 174.963 176.094 -0.428 0.000 1.028 567 V CA -0.546 61.404 62.300 -0.583 0.000 0.860 567 V CB 1.269 32.507 31.823 -0.974 0.000 0.991 567 V HN 0.838 nan 8.190 nan 0.000 0.427 568 K N 2.491 122.680 120.400 -0.351 0.000 3.040 568 K HA 0.387 4.702 4.320 -0.008 0.000 0.300 568 K C -1.311 175.298 176.600 0.016 0.000 1.092 568 K CA -1.148 55.117 56.287 -0.037 0.000 0.831 568 K CB 0.881 33.344 32.500 -0.062 0.000 1.469 568 K HN 0.468 nan 8.250 nan 0.000 0.365 569 R N 0.910 121.467 120.500 0.094 0.000 2.698 569 R HA 0.177 4.512 4.340 -0.008 0.000 0.266 569 R C 0.372 176.701 176.300 0.048 0.000 1.026 569 R CA -0.320 55.846 56.100 0.110 0.000 1.102 569 R CB -0.159 30.229 30.300 0.146 0.000 0.978 569 R HN 0.465 nan 8.270 nan 0.000 0.436 570 I N 4.034 124.644 120.570 0.065 0.000 2.452 570 I HA 0.100 4.266 4.170 -0.008 0.000 0.287 570 I C 0.743 176.859 176.117 -0.001 0.000 1.079 570 I CA 0.554 61.850 61.300 -0.008 0.000 1.387 570 I CB -0.240 37.742 38.000 -0.030 0.000 1.404 570 I HN 0.368 nan 8.210 nan 0.000 0.522 571 H N 5.159 124.134 119.070 -0.159 0.000 3.079 571 H HA 0.219 4.770 4.556 -0.008 0.000 0.356 571 H C 0.318 175.530 175.328 -0.194 0.000 1.221 571 H CA -0.381 55.619 56.048 -0.079 0.000 1.185 571 H CB 1.789 31.497 29.762 -0.090 0.000 1.882 571 H HN 0.595 nan 8.280 nan 0.000 0.543 572 E N 1.914 122.183 120.200 0.114 0.000 2.153 572 E HA -0.216 4.130 4.350 -0.008 0.000 0.194 572 E C 1.285 177.711 176.600 -0.291 0.000 0.988 572 E CA 1.632 58.062 56.400 0.049 0.000 0.811 572 E CB -0.025 29.858 29.700 0.305 0.000 0.746 572 E HN 0.565 nan 8.360 nan 0.000 0.466 573 Y N 0.885 120.819 120.300 -0.609 0.000 2.439 573 Y HA 0.019 4.564 4.550 -0.008 0.000 0.292 573 Y C 1.453 177.088 175.900 -0.442 0.000 1.130 573 Y CA 0.746 58.179 58.100 -1.112 0.000 1.254 573 Y CB -0.089 37.703 38.460 -1.112 0.000 1.000 573 Y HN -0.216 nan 8.280 nan 0.000 0.554 574 K N 0.849 120.783 120.400 -0.776 0.000 2.432 574 K HA 0.064 4.379 4.320 -0.008 0.000 0.196 574 K C 0.107 176.541 176.600 -0.277 0.000 1.038 574 K CA 0.461 56.416 56.287 -0.553 0.000 0.986 574 K CB -0.070 32.094 32.500 -0.561 0.000 0.782 574 K HN 0.254 nan 8.250 nan 0.000 0.485 575 R N 0.578 120.945 120.500 -0.222 0.000 3.333 575 R HA -0.236 4.099 4.340 -0.008 0.000 0.256 575 R C 0.235 176.462 176.300 -0.122 0.000 1.010 575 R CA 0.196 56.218 56.100 -0.131 0.000 0.680 575 R CB -1.784 28.456 30.300 -0.099 0.000 1.102 575 R HN 0.304 nan 8.270 nan 0.000 0.440 576 Q N 0.297 120.023 119.800 -0.122 0.000 2.291 576 Q HA -0.027 4.309 4.340 -0.008 0.000 0.206 576 Q C 2.016 177.972 176.000 -0.074 0.000 0.976 576 Q CA 1.247 56.990 55.803 -0.100 0.000 0.875 576 Q CB 0.061 28.744 28.738 -0.092 0.000 0.927 576 Q HN 0.582 nan 8.270 nan 0.000 0.450 577 L N -0.586 120.598 121.223 -0.066 0.000 2.131 577 L HA -0.168 4.167 4.340 -0.008 0.000 0.210 577 L C 1.970 178.847 176.870 0.011 0.000 1.092 577 L CA 0.519 55.335 54.840 -0.039 0.000 0.759 577 L CB -0.317 41.729 42.059 -0.022 0.000 0.903 577 L HN 0.313 nan 8.230 nan 0.000 0.435 578 L N -0.062 121.160 121.223 -0.001 0.000 2.093 578 L HA -0.216 4.119 4.340 -0.008 0.000 0.208 578 L C 1.982 178.911 176.870 0.098 0.000 1.085 578 L CA 1.830 56.684 54.840 0.025 0.000 0.755 578 L CB -0.793 41.175 42.059 -0.151 0.000 0.904 578 L HN 0.276 nan 8.230 nan 0.000 0.435 579 N N -1.713 117.011 118.700 0.041 0.000 2.106 579 N HA -0.221 4.514 4.740 -0.008 0.000 0.188 579 N C 1.933 177.527 175.510 0.139 0.000 1.029 579 N CA 1.530 54.677 53.050 0.161 0.000 0.848 579 N CB -0.131 38.382 38.487 0.043 0.000 1.007 579 N HN 0.482 nan 8.380 nan 0.000 0.423 580 C N 0.635 119.953 119.300 0.030 0.000 2.413 580 C HA -0.074 4.381 4.460 -0.008 0.000 0.276 580 C C 2.591 177.576 174.990 -0.009 0.000 1.248 580 C CA 0.384 59.373 59.018 -0.048 0.000 1.742 580 C CB -1.263 26.397 27.740 -0.133 0.000 2.017 580 C HN 0.510 nan 8.230 nan 0.000 0.481 581 L N -0.352 120.928 121.223 0.094 0.000 2.046 581 L HA -0.203 4.132 4.340 -0.008 0.000 0.208 581 L C 2.758 179.775 176.870 0.245 0.000 1.077 581 L CA 1.841 56.784 54.840 0.171 0.000 0.747 581 L CB -1.071 41.165 42.059 0.294 0.000 0.896 581 L HN 0.593 nan 8.230 nan 0.000 0.432 582 H N 0.010 119.186 119.070 0.177 0.000 2.321 582 H HA -0.142 4.410 4.556 -0.008 0.000 0.300 582 H C 2.253 177.571 175.328 -0.016 0.000 1.087 582 H CA 1.965 58.035 56.048 0.035 0.000 1.319 582 H CB 0.289 30.001 29.762 -0.083 0.000 1.379 582 H HN 0.086 nan 8.280 nan 0.000 0.501 583 V N 1.696 121.519 119.914 -0.151 0.000 2.282 583 V HA -0.296 3.819 4.120 -0.008 0.000 0.249 583 V C 2.851 178.866 176.094 -0.133 0.000 1.057 583 V CA 2.050 64.226 62.300 -0.206 0.000 1.032 583 V CB -0.559 31.192 31.823 -0.120 0.000 0.645 583 V HN 0.407 nan 8.190 nan 0.000 0.447 584 I N -0.225 120.301 120.570 -0.073 0.000 2.361 584 I HA -0.218 3.947 4.170 -0.008 0.000 0.251 584 I C 2.465 178.623 176.117 0.069 0.000 1.133 584 I CA 1.664 62.981 61.300 0.029 0.000 1.413 584 I CB -0.650 37.344 38.000 -0.011 0.000 1.073 584 I HN 0.340 nan 8.210 nan 0.000 0.424 585 T N 1.100 115.653 114.554 -0.002 0.000 2.737 585 T HA -0.128 4.217 4.350 -0.008 0.000 0.265 585 T C 1.884 176.535 174.700 -0.083 0.000 1.038 585 T CA 1.111 63.206 62.100 -0.008 0.000 1.144 585 T CB -0.237 68.651 68.868 0.033 0.000 0.866 585 T HN 0.084 nan 8.240 nan 0.000 0.434 586 L N 0.205 121.308 121.223 -0.199 0.000 2.042 586 L HA -0.048 4.287 4.340 -0.008 0.000 0.210 586 L C 2.099 178.926 176.870 -0.072 0.000 1.076 586 L CA 1.618 56.340 54.840 -0.197 0.000 0.749 586 L CB -0.920 40.953 42.059 -0.310 0.000 0.893 586 L HN 0.365 nan 8.230 nan 0.000 0.432 587 Y N 0.105 120.336 120.300 -0.116 0.000 2.145 587 Y HA -0.277 4.268 4.550 -0.008 0.000 0.286 587 Y C 2.435 178.308 175.900 -0.044 0.000 1.145 587 Y CA 1.820 59.890 58.100 -0.049 0.000 1.148 587 Y CB -0.091 38.382 38.460 0.021 0.000 0.981 587 Y HN 0.276 nan 8.280 nan 0.000 0.507 588 N N 0.482 119.127 118.700 -0.091 0.000 2.166 588 N HA -0.143 4.592 4.740 -0.008 0.000 0.186 588 N C 1.807 177.200 175.510 -0.194 0.000 1.019 588 N CA 1.462 54.396 53.050 -0.193 0.000 0.856 588 N CB -0.365 38.070 38.487 -0.086 0.000 0.993 588 N HN 0.450 nan 8.380 nan 0.000 0.426 589 R N 0.402 120.817 120.500 -0.142 0.000 2.092 589 R HA 0.073 4.409 4.340 -0.008 0.000 0.231 589 R C 2.196 178.409 176.300 -0.144 0.000 1.119 589 R CA 0.727 56.753 56.100 -0.124 0.000 0.970 589 R CB -0.205 30.034 30.300 -0.103 0.000 0.864 589 R HN 0.247 nan 8.270 nan 0.000 0.440 590 I N 0.892 121.355 120.570 -0.179 0.000 2.202 590 I HA -0.245 3.920 4.170 -0.008 0.000 0.242 590 I C 2.017 178.016 176.117 -0.196 0.000 1.091 590 I CA 1.137 62.333 61.300 -0.174 0.000 1.368 590 I CB -0.158 37.740 38.000 -0.170 0.000 1.058 590 I HN 0.012 nan 8.210 nan 0.000 0.410 591 K N 0.888 121.106 120.400 -0.302 0.000 2.280 591 K HA -0.188 4.128 4.320 -0.008 0.000 0.202 591 K C 1.964 178.464 176.600 -0.167 0.000 1.047 591 K CA 1.067 57.191 56.287 -0.272 0.000 0.942 591 K CB -0.247 32.012 32.500 -0.402 0.000 0.739 591 K HN 0.345 nan 8.250 nan 0.000 0.457 592 K N 1.167 121.476 120.400 -0.152 0.000 2.076 592 K HA -0.059 4.256 4.320 -0.008 0.000 0.204 592 K C 0.077 176.630 176.600 -0.078 0.000 1.051 592 K CA 0.965 57.190 56.287 -0.104 0.000 0.949 592 K CB 0.393 32.836 32.500 -0.096 0.000 0.726 592 K HN 0.041 nan 8.250 nan 0.000 0.443 593 E N 0.371 120.524 120.200 -0.079 0.000 3.303 593 E HA 0.122 4.467 4.350 -0.008 0.000 0.215 593 E C -2.341 174.224 176.600 -0.057 0.000 1.181 593 E CA -1.653 54.713 56.400 -0.056 0.000 0.998 593 E CB 1.694 31.367 29.700 -0.045 0.000 1.312 593 E HN 0.127 nan 8.360 nan 0.000 0.412 594 P HA -0.195 nan 4.420 nan 0.000 0.216 594 P C 0.211 177.493 177.300 -0.029 0.000 1.157 594 P CA 1.349 64.418 63.100 -0.052 0.000 0.880 594 P CB 0.162 31.836 31.700 -0.043 0.000 0.791 595 N N -1.086 117.606 118.700 -0.013 0.000 2.346 595 N HA 0.019 4.754 4.740 -0.008 0.000 0.225 595 N C 0.335 175.861 175.510 0.026 0.000 1.144 595 N CA 0.062 53.117 53.050 0.009 0.000 0.837 595 N CB -0.132 38.360 38.487 0.009 0.000 1.069 595 N HN 0.047 nan 8.380 nan 0.000 0.487 596 K N 0.994 121.403 120.400 0.016 0.000 2.138 596 K HA 0.202 4.517 4.320 -0.008 0.000 0.263 596 K C -0.990 175.647 176.600 0.063 0.000 0.965 596 K CA -0.656 55.655 56.287 0.040 0.000 0.868 596 K CB 0.793 33.296 32.500 0.005 0.000 1.083 596 K HN -0.026 nan 8.250 nan 0.000 0.443 597 F N 4.201 124.138 119.950 -0.021 0.000 2.429 597 F HA 0.280 4.802 4.527 -0.008 0.000 0.348 597 F C -0.407 175.380 175.800 -0.022 0.000 1.109 597 F CA -0.043 57.946 58.000 -0.019 0.000 1.232 597 F CB 0.707 39.698 39.000 -0.014 0.000 1.157 597 F HN 0.197 nan 8.300 nan 0.000 0.564 598 V N 3.867 123.135 119.914 -1.077 0.000 2.932 598 V HA 0.505 4.620 4.120 -0.008 0.000 0.307 598 V C -0.947 174.545 176.094 -1.003 0.000 1.147 598 V CA -1.227 60.622 62.300 -0.753 0.000 0.951 598 V CB 0.847 32.447 31.823 -0.371 0.000 1.031 598 V HN 0.600 nan 8.190 nan 0.000 0.426 599 V N 4.697 124.292 119.914 -0.531 0.000 2.493 599 V HA 0.189 4.304 4.120 -0.008 0.000 0.292 599 V C -1.812 174.130 176.094 -0.253 0.000 1.016 599 V CA -0.349 61.781 62.300 -0.284 0.000 1.097 599 V CB 0.456 32.236 31.823 -0.072 0.000 0.947 599 V HN 0.908 nan 8.190 nan 0.000 0.479 600 P HA 0.290 nan 4.420 nan 0.000 0.268 600 P C -0.381 176.844 177.300 -0.125 0.000 1.205 600 P CA 0.064 63.089 63.100 -0.125 0.000 0.771 600 P CB 0.497 32.171 31.700 -0.042 0.000 0.858 601 R N 1.155 121.592 120.500 -0.105 0.000 2.725 601 R HA 0.569 4.905 4.340 -0.008 0.000 0.277 601 R C -0.911 175.358 176.300 -0.052 0.000 0.987 601 R CA -0.646 55.394 56.100 -0.101 0.000 0.901 601 R CB 2.104 32.327 30.300 -0.129 0.000 1.207 601 R HN 0.279 nan 8.270 nan 0.000 0.463 602 T N 1.916 116.452 114.554 -0.030 0.000 2.864 602 T HA 0.244 4.589 4.350 -0.008 0.000 0.310 602 T C -0.461 174.165 174.700 -0.125 0.000 1.040 602 T CA -0.458 61.591 62.100 -0.085 0.000 0.977 602 T CB 1.195 69.964 68.868 -0.166 0.000 0.976 602 T HN 0.138 nan 8.240 nan 0.000 0.459 603 V N 5.887 125.735 119.914 -0.111 0.000 2.385 603 V HA 0.416 4.531 4.120 -0.008 0.000 0.269 603 V C 0.068 176.091 176.094 -0.120 0.000 1.043 603 V CA -0.378 61.860 62.300 -0.103 0.000 0.906 603 V CB 0.651 32.427 31.823 -0.079 0.000 0.995 603 V HN 0.850 nan 8.190 nan 0.000 0.467 604 M N 6.650 126.167 119.600 -0.138 0.000 2.167 604 M HA 0.606 5.082 4.480 -0.008 0.000 0.333 604 M C -0.947 175.250 176.300 -0.172 0.000 1.030 604 M CA -0.131 55.078 55.300 -0.151 0.000 0.963 604 M CB 1.880 34.388 32.600 -0.153 0.000 1.589 604 M HN 0.422 nan 8.290 nan 0.000 0.431 605 I N 1.984 122.433 120.570 -0.202 0.000 2.498 605 I HA 0.812 4.977 4.170 -0.008 0.000 0.290 605 I C 0.062 175.864 176.117 -0.526 0.000 1.032 605 I CA -0.625 60.527 61.300 -0.246 0.000 1.073 605 I CB 2.279 40.221 38.000 -0.098 0.000 1.251 605 I HN 0.797 nan 8.210 nan 0.000 0.426 606 G N 3.002 111.457 108.800 -0.574 0.000 2.690 606 G HA2 0.836 4.791 3.960 -0.008 0.000 0.293 606 G HA3 0.836 4.791 3.960 -0.008 0.000 0.293 606 G C -1.025 173.583 174.900 -0.486 0.000 1.399 606 G CA -0.775 43.833 45.100 -0.820 0.000 0.890 606 G HN 0.982 nan 8.290 nan 0.000 0.485 607 G N -0.389 108.274 108.800 -0.229 0.000 2.352 607 G HA2 0.403 4.358 3.960 -0.008 0.000 0.303 607 G HA3 0.403 4.358 3.960 -0.008 0.000 0.303 607 G C -1.249 173.795 174.900 0.240 0.000 1.593 607 G CA -1.028 44.114 45.100 0.070 0.000 0.963 607 G HN 0.605 nan 8.290 nan 0.000 0.685 608 K N -0.126 120.413 120.400 0.231 0.000 2.098 608 K HA 0.761 5.076 4.320 -0.008 0.000 0.261 608 K C 0.250 177.003 176.600 0.255 0.000 0.987 608 K CA -0.178 56.266 56.287 0.261 0.000 0.916 608 K CB 2.005 34.566 32.500 0.101 0.000 1.039 608 K HN 0.881 nan 8.250 nan 0.000 0.455 609 A N 1.297 124.300 122.820 0.305 0.000 2.337 609 A HA 0.647 4.962 4.320 -0.008 0.000 0.329 609 A C -0.558 177.209 177.584 0.305 0.000 1.146 609 A CA -0.765 51.394 52.037 0.203 0.000 0.800 609 A CB 1.128 20.162 19.000 0.056 0.000 1.220 609 A HN 0.765 nan 8.150 nan 0.000 0.472 610 A N 3.524 126.513 122.820 0.282 0.000 2.520 610 A HA 0.480 4.796 4.320 -0.008 0.000 0.245 610 A C -1.385 176.290 177.584 0.151 0.000 1.072 610 A CA -0.847 51.355 52.037 0.274 0.000 0.761 610 A CB -0.379 18.767 19.000 0.242 0.000 1.004 610 A HN 0.600 nan 8.150 nan 0.000 0.499 611 P HA -0.178 nan 4.420 nan 0.000 0.218 611 P C 1.260 178.556 177.300 -0.008 0.000 1.152 611 P CA 2.117 65.166 63.100 -0.085 0.000 0.857 611 P CB 0.224 31.823 31.700 -0.169 0.000 0.787 612 G N -3.277 105.546 108.800 0.038 0.000 3.337 612 G HA2 -0.042 3.913 3.960 -0.008 0.000 0.246 612 G HA3 -0.042 3.913 3.960 -0.008 0.000 0.246 612 G C -0.345 174.601 174.900 0.077 0.000 1.131 612 G CA -0.106 45.020 45.100 0.043 0.000 0.773 612 G HN 0.307 nan 8.290 nan 0.000 0.544 613 Y N 1.614 121.866 120.300 -0.080 0.000 2.676 613 Y HA 0.204 4.749 4.550 -0.008 0.000 0.338 613 Y C 1.583 177.462 175.900 -0.036 0.000 1.057 613 Y CA -1.101 56.925 58.100 -0.123 0.000 1.314 613 Y CB 0.196 38.548 38.460 -0.181 0.000 1.164 613 Y HN 0.304 nan 8.280 nan 0.000 0.509 614 H N 4.205 123.377 119.070 0.170 0.000 2.319 614 H HA -0.225 4.326 4.556 -0.008 0.000 0.299 614 H C 1.798 177.131 175.328 0.009 0.000 1.092 614 H CA 2.421 58.513 56.048 0.074 0.000 1.302 614 H CB 0.361 30.166 29.762 0.073 0.000 1.373 614 H HN 0.728 nan 8.280 nan 0.000 0.497 615 M N 0.999 120.586 119.600 -0.021 0.000 2.149 615 M HA -0.079 4.396 4.480 -0.008 0.000 0.261 615 M C 2.533 178.577 176.300 -0.428 0.000 1.064 615 M CA 1.819 57.016 55.300 -0.172 0.000 1.102 615 M CB -0.715 31.903 32.600 0.030 0.000 1.369 615 M HN 0.335 nan 8.290 nan 0.000 0.408 616 A N -0.509 121.807 122.820 -0.840 0.000 1.933 616 A HA -0.187 4.128 4.320 -0.008 0.000 0.218 616 A C 2.213 179.584 177.584 -0.355 0.000 1.175 616 A CA 1.843 53.434 52.037 -0.743 0.000 0.628 616 A CB -0.629 17.747 19.000 -1.041 0.000 0.814 616 A HN 0.581 nan 8.150 nan 0.000 0.444 617 K N -1.173 119.065 120.400 -0.270 0.000 2.155 617 K HA -0.005 4.310 4.320 -0.008 0.000 0.203 617 K C 1.853 178.385 176.600 -0.114 0.000 1.052 617 K CA 1.110 57.324 56.287 -0.122 0.000 0.948 617 K CB -0.162 32.323 32.500 -0.025 0.000 0.728 617 K HN 0.340 nan 8.250 nan 0.000 0.448 618 M N 0.395 119.879 119.600 -0.193 0.000 2.319 618 M HA -0.049 4.426 4.480 -0.008 0.000 0.265 618 M C 1.998 178.230 176.300 -0.113 0.000 1.068 618 M CA 1.301 56.535 55.300 -0.111 0.000 1.118 618 M CB -0.469 32.058 32.600 -0.122 0.000 1.395 618 M HN 0.131 nan 8.290 nan 0.000 0.435 619 I N -0.269 120.197 120.570 -0.173 0.000 2.315 619 I HA -0.269 3.896 4.170 -0.008 0.000 0.248 619 I C 2.224 178.215 176.117 -0.210 0.000 1.117 619 I CA 0.935 62.126 61.300 -0.180 0.000 1.404 619 I CB -0.211 37.681 38.000 -0.180 0.000 1.071 619 I HN 0.162 nan 8.210 nan 0.000 0.419 620 I N 0.661 121.086 120.570 -0.242 0.000 2.252 620 I HA -0.279 3.886 4.170 -0.008 0.000 0.245 620 I C 2.576 178.419 176.117 -0.458 0.000 1.102 620 I CA 1.124 62.191 61.300 -0.388 0.000 1.385 620 I CB -0.276 37.461 38.000 -0.439 0.000 1.064 620 I HN 0.136 nan 8.210 nan 0.000 0.414 621 K N 1.637 121.782 120.400 -0.426 0.000 2.057 621 K HA -0.151 4.165 4.320 -0.008 0.000 0.207 621 K C 2.040 178.476 176.600 -0.274 0.000 1.049 621 K CA 1.506 57.464 56.287 -0.548 0.000 0.931 621 K CB -0.571 31.357 32.500 -0.953 0.000 0.714 621 K HN 0.237 nan 8.250 nan 0.000 0.440 622 L N 0.314 121.404 121.223 -0.223 0.000 2.046 622 L HA -0.143 4.193 4.340 -0.008 0.000 0.208 622 L C 2.158 178.780 176.870 -0.414 0.000 1.077 622 L CA 1.559 56.089 54.840 -0.517 0.000 0.747 622 L CB -0.236 41.439 42.059 -0.639 0.000 0.896 622 L HN 0.263 nan 8.230 nan 0.000 0.432 623 I N -0.172 120.215 120.570 -0.305 0.000 2.179 623 I HA -0.326 3.840 4.170 -0.008 0.000 0.242 623 I C 2.625 178.632 176.117 -0.184 0.000 1.088 623 I CA 1.911 63.084 61.300 -0.212 0.000 1.357 623 I CB -0.584 37.371 38.000 -0.075 0.000 1.051 623 I HN 0.431 nan 8.210 nan 0.000 0.409 624 T N -0.764 113.657 114.554 -0.223 0.000 2.821 624 T HA -0.069 4.276 4.350 -0.008 0.000 0.267 624 T C 2.009 176.635 174.700 -0.123 0.000 1.046 624 T CA 0.926 62.926 62.100 -0.166 0.000 1.139 624 T CB -0.506 68.221 68.868 -0.235 0.000 0.871 624 T HN 0.337 nan 8.240 nan 0.000 0.454 625 A N 1.597 124.337 122.820 -0.134 0.000 1.933 625 A HA 0.108 4.423 4.320 -0.008 0.000 0.218 625 A C 2.395 179.968 177.584 -0.018 0.000 1.175 625 A CA 1.362 53.383 52.037 -0.026 0.000 0.628 625 A CB -0.865 18.205 19.000 0.116 0.000 0.814 625 A HN 0.599 nan 8.150 nan 0.000 0.444 626 I N -0.399 120.050 120.570 -0.201 0.000 2.226 626 I HA -0.195 3.970 4.170 -0.008 0.000 0.245 626 I C 2.682 178.743 176.117 -0.093 0.000 1.100 626 I CA 1.097 62.239 61.300 -0.265 0.000 1.374 626 I CB -0.588 37.146 38.000 -0.444 0.000 1.057 626 I HN 0.402 nan 8.210 nan 0.000 0.413 627 G N 0.382 109.135 108.800 -0.078 0.000 2.418 627 G HA2 -0.241 3.714 3.960 -0.008 0.000 0.217 627 G HA3 -0.241 3.714 3.960 -0.008 0.000 0.217 627 G C 1.240 176.173 174.900 0.056 0.000 1.158 627 G CA 0.815 45.898 45.100 -0.027 0.000 0.771 627 G HN 0.271 nan 8.290 nan 0.000 0.545 628 D N 0.093 120.532 120.400 0.065 0.000 2.149 628 D HA -0.094 4.541 4.640 -0.008 0.000 0.198 628 D C 2.689 179.071 176.300 0.137 0.000 0.990 628 D CA 0.740 54.800 54.000 0.101 0.000 0.839 628 D CB -0.208 40.587 40.800 -0.008 0.000 0.948 628 D HN 0.247 nan 8.370 nan 0.000 0.460 629 V N 0.077 120.039 119.914 0.081 0.000 2.331 629 V HA -0.132 3.983 4.120 -0.008 0.000 0.242 629 V C 2.593 178.683 176.094 -0.006 0.000 1.034 629 V CA 0.736 63.049 62.300 0.022 0.000 1.027 629 V CB -0.298 31.541 31.823 0.026 0.000 0.667 629 V HN 0.025 nan 8.190 nan 0.000 0.457 630 V N 1.089 120.940 119.914 -0.105 0.000 2.343 630 V HA -0.217 3.899 4.120 -0.008 0.000 0.247 630 V C 2.134 178.232 176.094 0.006 0.000 1.051 630 V CA 2.050 64.273 62.300 -0.129 0.000 1.036 630 V CB -0.872 30.854 31.823 -0.161 0.000 0.654 630 V HN 0.581 nan 8.190 nan 0.000 0.451 631 N N -0.342 118.347 118.700 -0.018 0.000 2.512 631 N HA -0.084 4.651 4.740 -0.008 0.000 0.183 631 N C 1.144 176.465 175.510 -0.317 0.000 1.073 631 N CA 0.854 53.810 53.050 -0.157 0.000 0.911 631 N CB -0.232 38.112 38.487 -0.239 0.000 0.964 631 N HN 0.665 nan 8.380 nan 0.000 0.447 632 H N -1.264 117.806 119.070 0.000 0.000 2.674 632 H HA 0.204 4.755 4.556 -0.008 0.000 0.274 632 H C -0.512 174.833 175.328 0.028 0.000 1.121 632 H CA -0.510 55.540 56.048 0.003 0.000 1.132 632 H CB 0.508 30.261 29.762 -0.015 0.000 1.606 632 H HN 0.004 nan 8.280 nan 0.000 0.558 633 D N 1.592 122.078 120.400 0.143 0.000 2.339 633 D HA 0.052 4.687 4.640 -0.008 0.000 0.241 633 D C -1.640 174.722 176.300 0.102 0.000 1.183 633 D CA -1.970 52.124 54.000 0.157 0.000 0.859 633 D CB 1.697 42.670 40.800 0.289 0.000 1.067 633 D HN 0.079 nan 8.370 nan 0.000 0.484 634 P HA -0.162 nan 4.420 nan 0.000 0.216 634 P C 1.588 178.910 177.300 0.038 0.000 1.150 634 P CA 0.552 63.680 63.100 0.047 0.000 0.843 634 P CB 0.397 32.121 31.700 0.039 0.000 0.787 635 V N -0.787 119.150 119.914 0.038 0.000 2.490 635 V HA -0.179 3.936 4.120 -0.008 0.000 0.250 635 V C 2.393 178.493 176.094 0.010 0.000 1.061 635 V CA 1.554 63.863 62.300 0.014 0.000 1.064 635 V CB -1.033 30.786 31.823 -0.006 0.000 0.670 635 V HN -0.004 nan 8.190 nan 0.000 0.461 636 V N -0.317 119.621 119.914 0.040 0.000 2.379 636 V HA 0.128 4.243 4.120 -0.008 0.000 0.245 636 V C 1.775 177.880 176.094 0.018 0.000 1.044 636 V CA 1.573 63.896 62.300 0.038 0.000 1.036 636 V CB -1.150 30.743 31.823 0.116 0.000 0.664 636 V HN 0.744 nan 8.190 nan 0.000 0.453 637 G N 1.473 110.287 108.800 0.023 0.000 2.550 637 G HA2 -0.337 3.619 3.960 -0.008 0.000 0.277 637 G HA3 -0.337 3.619 3.960 -0.008 0.000 0.277 637 G C 0.371 175.275 174.900 0.007 0.000 1.190 637 G CA 0.338 45.447 45.100 0.013 0.000 0.971 637 G HN 0.628 nan 8.290 nan 0.000 0.559 638 D N 0.539 120.944 120.400 0.008 0.000 2.358 638 D HA 0.122 4.757 4.640 -0.008 0.000 0.224 638 D C 1.768 178.066 176.300 -0.003 0.000 1.123 638 D CA -0.033 53.973 54.000 0.009 0.000 0.833 638 D CB 0.084 40.899 40.800 0.025 0.000 0.946 638 D HN 0.563 nan 8.370 nan 0.000 0.505 639 R N -0.404 120.084 120.500 -0.021 0.000 2.200 639 R HA 0.165 4.500 4.340 -0.008 0.000 0.208 639 R C 0.067 176.331 176.300 -0.061 0.000 1.033 639 R CA 0.251 56.316 56.100 -0.058 0.000 1.000 639 R CB 0.337 30.585 30.300 -0.088 0.000 0.906 639 R HN 0.107 nan 8.270 nan 0.000 0.462 640 L N 0.657 121.862 121.223 -0.032 0.000 2.562 640 L HA 0.391 4.727 4.340 -0.008 0.000 0.266 640 L C -1.661 175.194 176.870 -0.025 0.000 0.949 640 L CA -0.531 54.290 54.840 -0.032 0.000 0.879 640 L CB 1.757 43.809 42.059 -0.013 0.000 1.278 640 L HN -0.194 nan 8.230 nan 0.000 0.404 641 R N 3.782 124.256 120.500 -0.044 0.000 2.686 641 R HA 0.803 5.138 4.340 -0.008 0.000 0.283 641 R C -1.591 174.667 176.300 -0.070 0.000 0.978 641 R CA -0.811 55.257 56.100 -0.055 0.000 0.897 641 R CB 2.390 32.658 30.300 -0.054 0.000 1.192 641 R HN 0.396 nan 8.270 nan 0.000 0.457 642 V N 4.651 124.524 119.914 -0.069 0.000 2.409 642 V HA 0.452 4.567 4.120 -0.008 0.000 0.290 642 V C -0.428 175.635 176.094 -0.052 0.000 1.017 642 V CA -0.703 61.555 62.300 -0.070 0.000 0.841 642 V CB 1.537 33.313 31.823 -0.078 0.000 1.003 642 V HN 0.517 nan 8.190 nan 0.000 0.426 643 I N 4.771 125.307 120.570 -0.057 0.000 2.474 643 I HA 0.475 4.640 4.170 -0.008 0.000 0.294 643 I C -0.630 175.477 176.117 -0.015 0.000 1.005 643 I CA -0.481 60.798 61.300 -0.036 0.000 1.113 643 I CB 1.869 39.828 38.000 -0.069 0.000 1.289 643 I HN 0.550 nan 8.210 nan 0.000 0.436 644 F N 6.834 126.723 119.950 -0.102 0.000 2.385 644 F HA 0.511 5.034 4.527 -0.008 0.000 0.360 644 F C -0.667 175.069 175.800 -0.107 0.000 1.122 644 F CA -0.782 57.157 58.000 -0.101 0.000 1.090 644 F CB 0.663 39.603 39.000 -0.099 0.000 1.150 644 F HN 0.141 nan 8.300 nan 0.000 0.472 645 L N 6.001 126.833 121.223 -0.650 0.000 2.407 645 L HA 0.146 4.481 4.340 -0.008 0.000 0.282 645 L C 0.365 176.953 176.870 -0.471 0.000 1.110 645 L CA 0.221 54.801 54.840 -0.432 0.000 0.863 645 L CB 0.027 41.920 42.059 -0.275 0.000 1.207 645 L HN 0.621 nan 8.230 nan 0.000 0.454 646 E N 3.326 123.387 120.200 -0.231 0.000 2.373 646 E HA -0.018 4.327 4.350 -0.008 0.000 0.267 646 E C 0.475 177.126 176.600 0.086 0.000 1.032 646 E CA -0.289 56.120 56.400 0.016 0.000 0.889 646 E CB 0.331 30.014 29.700 -0.028 0.000 0.984 646 E HN 0.541 nan 8.360 nan 0.000 0.425 647 N N 2.486 121.304 118.700 0.196 0.000 2.725 647 N HA -0.283 4.452 4.740 -0.008 0.000 0.251 647 N C -1.541 174.074 175.510 0.174 0.000 1.031 647 N CA 0.550 53.717 53.050 0.195 0.000 0.720 647 N CB -1.564 37.055 38.487 0.219 0.000 0.930 647 N HN 0.479 nan 8.380 nan 0.000 0.543 648 Y N 1.474 121.789 120.300 0.023 0.000 2.721 648 Y HA 0.168 4.713 4.550 -0.008 0.000 0.329 648 Y C 1.147 177.071 175.900 0.040 0.000 1.211 648 Y CA 0.569 58.671 58.100 0.003 0.000 1.512 648 Y CB 0.290 38.719 38.460 -0.051 0.000 1.249 648 Y HN 0.374 nan 8.280 nan 0.000 0.549 649 R N 2.419 122.620 120.500 -0.499 0.000 2.829 649 R HA 0.485 4.820 4.340 -0.008 0.000 0.267 649 R C -0.336 175.637 176.300 -0.545 0.000 1.051 649 R CA -0.608 55.256 56.100 -0.394 0.000 0.927 649 R CB 0.316 30.561 30.300 -0.091 0.000 1.292 649 R HN 0.338 nan 8.270 nan 0.000 0.445 650 V N 1.078 120.702 119.914 -0.482 0.000 2.287 650 V HA -0.288 3.828 4.120 -0.008 0.000 0.248 650 V C 2.572 178.540 176.094 -0.210 0.000 1.053 650 V CA 2.799 64.872 62.300 -0.380 0.000 1.027 650 V CB -0.821 30.747 31.823 -0.425 0.000 0.646 650 V HN 0.927 nan 8.190 nan 0.000 0.447 651 S N 0.094 115.694 115.700 -0.166 0.000 2.399 651 S HA -0.173 4.292 4.470 -0.008 0.000 0.231 651 S C 1.912 176.470 174.600 -0.070 0.000 1.022 651 S CA 1.646 59.782 58.200 -0.107 0.000 0.983 651 S CB -0.515 62.653 63.200 -0.053 0.000 0.803 651 S HN 0.402 nan 8.310 nan 0.000 0.480 652 L N 1.806 122.995 121.223 -0.058 0.000 2.179 652 L HA 0.357 4.692 4.340 -0.008 0.000 0.208 652 L C 2.623 179.507 176.870 0.023 0.000 1.096 652 L CA 1.287 56.136 54.840 0.016 0.000 0.779 652 L CB -1.200 40.928 42.059 0.116 0.000 0.922 652 L HN 0.342 nan 8.230 nan 0.000 0.443 653 A N -0.612 122.199 122.820 -0.015 0.000 1.902 653 A HA -0.221 4.094 4.320 -0.008 0.000 0.217 653 A C 2.107 179.751 177.584 0.101 0.000 1.181 653 A CA 1.750 53.854 52.037 0.111 0.000 0.623 653 A CB -0.599 18.453 19.000 0.087 0.000 0.818 653 A HN 0.589 nan 8.150 nan 0.000 0.443 654 E N -0.397 119.841 120.200 0.064 0.000 2.333 654 E HA -0.160 4.185 4.350 -0.008 0.000 0.198 654 E C 1.802 178.366 176.600 -0.060 0.000 1.007 654 E CA 1.129 57.521 56.400 -0.014 0.000 0.845 654 E CB -0.045 29.552 29.700 -0.172 0.000 0.766 654 E HN 0.621 nan 8.360 nan 0.000 0.507 655 K N -0.021 120.324 120.400 -0.090 0.000 2.190 655 K HA 0.040 4.355 4.320 -0.008 0.000 0.202 655 K C 2.140 178.534 176.600 -0.342 0.000 1.045 655 K CA 0.361 56.569 56.287 -0.130 0.000 0.976 655 K CB 0.053 32.484 32.500 -0.115 0.000 0.849 655 K HN -0.052 nan 8.250 nan 0.000 0.468 656 V N 1.972 121.590 119.914 -0.493 0.000 2.488 656 V HA -0.122 3.993 4.120 -0.008 0.000 0.246 656 V C 1.895 177.735 176.094 -0.424 0.000 1.046 656 V CA 1.207 62.998 62.300 -0.848 0.000 1.053 656 V CB -0.166 31.274 31.823 -0.638 0.000 0.679 656 V HN 0.239 nan 8.190 nan 0.000 0.458 657 I N 0.686 121.064 120.570 -0.320 0.000 2.208 657 I HA -0.139 4.026 4.170 -0.008 0.000 0.245 657 I C -0.278 175.714 176.117 -0.209 0.000 1.097 657 I CA 1.651 62.695 61.300 -0.427 0.000 1.363 657 I CB -1.475 36.161 38.000 -0.607 0.000 1.051 657 I HN 0.373 nan 8.210 nan 0.000 0.413 658 P HA -0.090 nan 4.420 nan 0.000 0.226 658 P C 0.934 178.225 177.300 -0.015 0.000 1.153 658 P CA 1.121 64.191 63.100 -0.050 0.000 0.777 658 P CB 0.071 31.751 31.700 -0.033 0.000 0.794 659 A N -1.210 121.586 122.820 -0.041 0.000 2.275 659 A HA 0.486 4.802 4.320 -0.008 0.000 0.212 659 A C 1.148 178.839 177.584 0.177 0.000 1.201 659 A CA 0.078 52.148 52.037 0.055 0.000 0.843 659 A CB -0.588 18.455 19.000 0.072 0.000 0.873 659 A HN 0.189 nan 8.150 nan 0.000 0.492 660 A N -0.158 122.765 122.820 0.172 0.000 2.340 660 A HA 0.495 4.810 4.320 -0.008 0.000 0.268 660 A C 0.322 178.056 177.584 0.251 0.000 1.100 660 A CA -0.187 52.019 52.037 0.280 0.000 0.803 660 A CB 0.395 19.643 19.000 0.413 0.000 1.043 660 A HN 0.257 nan 8.150 nan 0.000 0.488 661 D N 0.371 120.919 120.400 0.247 0.000 2.431 661 D HA 0.129 4.764 4.640 -0.008 0.000 0.235 661 D C 0.028 176.539 176.300 0.352 0.000 0.980 661 D CA 0.701 54.894 54.000 0.321 0.000 0.912 661 D CB 0.290 41.194 40.800 0.172 0.000 1.056 661 D HN 0.360 nan 8.370 nan 0.000 0.494 662 L N 1.126 122.446 121.223 0.163 0.000 2.356 662 L HA 0.297 4.632 4.340 -0.008 0.000 0.277 662 L C -0.753 176.009 176.870 -0.180 0.000 0.996 662 L CA -0.320 54.539 54.840 0.032 0.000 0.822 662 L CB 2.084 44.135 42.059 -0.014 0.000 1.256 662 L HN -0.177 nan 8.230 nan 0.000 0.413 663 S N 4.287 119.794 115.700 -0.322 0.000 2.422 663 S HA 0.315 4.780 4.470 -0.008 0.000 0.308 663 S C -0.396 173.933 174.600 -0.451 0.000 1.097 663 S CA -0.701 57.063 58.200 -0.727 0.000 1.099 663 S CB 0.605 63.317 63.200 -0.814 0.000 0.976 663 S HN 0.541 nan 8.310 nan 0.000 0.471 664 E N 4.121 124.067 120.200 -0.424 0.000 2.105 664 E HA 0.202 4.547 4.350 -0.008 0.000 0.285 664 E C -0.533 175.952 176.600 -0.191 0.000 1.055 664 E CA -0.380 55.892 56.400 -0.213 0.000 0.843 664 E CB 0.931 30.537 29.700 -0.157 0.000 1.067 664 E HN 0.596 nan 8.360 nan 0.000 0.398 665 Q N 2.831 122.575 119.800 -0.093 0.000 3.064 665 Q HA 0.272 4.607 4.340 -0.008 0.000 0.258 665 Q C 0.514 176.507 176.000 -0.012 0.000 0.972 665 Q CA -0.139 55.624 55.803 -0.066 0.000 0.761 665 Q CB 0.334 29.046 28.738 -0.045 0.000 1.281 665 Q HN 0.614 nan 8.270 nan 0.000 0.455 666 I N -1.461 119.087 120.570 -0.037 0.000 3.531 666 I HA 0.292 4.457 4.170 -0.008 0.000 0.341 666 I C 0.361 176.432 176.117 -0.076 0.000 1.550 666 I CA -0.673 60.615 61.300 -0.020 0.000 1.087 666 I CB 0.379 38.363 38.000 -0.026 0.000 1.408 666 I HN 0.012 nan 8.210 nan 0.000 0.484 667 S N 0.316 115.973 115.700 -0.071 0.000 2.584 667 S HA 0.239 4.704 4.470 -0.008 0.000 0.270 667 S C 0.546 175.131 174.600 -0.025 0.000 1.346 667 S CA -0.298 57.880 58.200 -0.038 0.000 1.018 667 S CB 0.558 63.788 63.200 0.050 0.000 0.899 667 S HN 0.390 nan 8.310 nan 0.000 0.542 668 T N 2.561 117.133 114.554 0.029 0.000 2.888 668 T HA 0.415 4.760 4.350 -0.008 0.000 0.301 668 T C 0.722 175.430 174.700 0.013 0.000 1.001 668 T CA 0.182 62.303 62.100 0.035 0.000 1.147 668 T CB 0.102 69.061 68.868 0.153 0.000 0.931 668 T HN 0.997 nan 8.240 nan 0.000 0.541 669 A N 2.673 125.470 122.820 -0.038 0.000 2.580 669 A HA 0.438 4.753 4.320 -0.008 0.000 0.244 669 A C 1.647 179.221 177.584 -0.017 0.000 1.045 669 A CA 0.358 52.369 52.037 -0.044 0.000 0.761 669 A CB -0.914 18.047 19.000 -0.064 0.000 0.962 669 A HN 1.689 nan 8.150 nan 0.000 0.512 670 G N 1.357 110.145 108.800 -0.020 0.000 2.176 670 G HA2 -0.247 3.708 3.960 -0.008 0.000 0.232 670 G HA3 -0.247 3.708 3.960 -0.008 0.000 0.232 670 G C 0.913 175.793 174.900 -0.034 0.000 0.986 670 G CA 1.123 46.212 45.100 -0.018 0.000 0.643 670 G HN 2.008 nan 8.290 nan 0.000 0.522 671 T N -2.377 112.150 114.554 -0.046 0.000 3.042 671 T HA 0.394 4.739 4.350 -0.008 0.000 0.245 671 T C 0.792 175.308 174.700 -0.307 0.000 1.029 671 T CA 1.106 63.102 62.100 -0.174 0.000 1.120 671 T CB 0.496 69.294 68.868 -0.118 0.000 0.917 671 T HN 0.269 nan 8.240 nan 0.000 0.467 672 E N 1.608 121.762 120.200 -0.076 0.000 1.996 672 E HA 0.655 5.000 4.350 -0.008 0.000 0.280 672 E C 1.211 177.751 176.600 -0.100 0.000 1.092 672 E CA 0.086 56.489 56.400 0.005 0.000 0.862 672 E CB 0.647 30.419 29.700 0.119 0.000 1.066 672 E HN 0.359 nan 8.360 nan 0.000 0.396 673 A N 3.419 126.103 122.820 -0.228 0.000 1.896 673 A HA -0.276 4.039 4.320 -0.008 0.000 0.220 673 A C 2.001 179.453 177.584 -0.219 0.000 1.206 673 A CA 2.491 54.261 52.037 -0.445 0.000 0.647 673 A CB -0.375 18.166 19.000 -0.766 0.000 0.828 673 A HN 0.614 nan 8.150 nan 0.000 0.455 674 S N -4.106 111.526 115.700 -0.113 0.000 3.984 674 S HA 0.459 4.924 4.470 -0.008 0.000 0.221 674 S C 0.647 175.236 174.600 -0.018 0.000 1.149 674 S CA 1.375 59.556 58.200 -0.032 0.000 0.950 674 S CB -0.025 63.180 63.200 0.009 0.000 1.216 674 S HN 2.353 nan 8.310 nan 0.000 0.547 675 G N 0.290 109.085 108.800 -0.009 0.000 2.719 675 G HA2 -0.006 3.949 3.960 -0.008 0.000 0.686 675 G HA3 -0.006 3.949 3.960 -0.008 0.000 0.686 675 G C 0.217 175.101 174.900 -0.027 0.000 1.201 675 G CA 0.453 45.547 45.100 -0.011 0.000 0.768 675 G HN 1.322 nan 8.290 nan 0.000 0.629 676 T N -1.865 112.661 114.554 -0.047 0.000 3.010 676 T HA 0.374 4.720 4.350 -0.008 0.000 0.253 676 T C 2.370 176.980 174.700 -0.150 0.000 0.939 676 T CA 1.268 63.312 62.100 -0.092 0.000 0.910 676 T CB 0.299 69.104 68.868 -0.105 0.000 1.226 676 T HN 1.887 nan 8.240 nan 0.000 0.508 677 G N 3.106 111.846 108.800 -0.100 0.000 2.442 677 G HA2 -0.263 3.692 3.960 -0.008 0.000 0.219 677 G HA3 -0.263 3.692 3.960 -0.008 0.000 0.219 677 G C 1.462 176.422 174.900 0.100 0.000 1.141 677 G CA 1.166 46.228 45.100 -0.062 0.000 0.763 677 G HN 0.835 nan 8.290 nan 0.000 0.554 678 N N 0.095 118.832 118.700 0.061 0.000 2.149 678 N HA -0.154 4.581 4.740 -0.008 0.000 0.188 678 N C 2.207 177.729 175.510 0.020 0.000 1.019 678 N CA 1.341 54.428 53.050 0.062 0.000 0.857 678 N CB -0.352 38.122 38.487 -0.022 0.000 0.997 678 N HN 0.346 nan 8.380 nan 0.000 0.426 679 M N 0.748 120.294 119.600 -0.090 0.000 2.175 679 M HA -0.027 4.448 4.480 -0.008 0.000 0.264 679 M C 2.016 178.273 176.300 -0.072 0.000 1.063 679 M CA 1.433 56.660 55.300 -0.122 0.000 1.119 679 M CB -0.059 32.473 32.600 -0.113 0.000 1.377 679 M HN 0.112 nan 8.290 nan 0.000 0.415 680 K N 0.023 120.313 120.400 -0.183 0.000 2.057 680 K HA -0.119 4.196 4.320 -0.008 0.000 0.207 680 K C 1.707 178.196 176.600 -0.185 0.000 1.049 680 K CA 1.422 57.535 56.287 -0.291 0.000 0.931 680 K CB -0.300 31.802 32.500 -0.663 0.000 0.714 680 K HN 0.151 nan 8.250 nan 0.000 0.440 681 F N 1.107 120.993 119.950 -0.107 0.000 2.134 681 F HA -0.131 4.391 4.527 -0.009 0.000 0.299 681 F C 2.562 178.339 175.800 -0.037 0.000 1.097 681 F CA 1.216 59.177 58.000 -0.065 0.000 1.264 681 F CB -0.293 38.658 39.000 -0.082 0.000 1.001 681 F HN 0.006 nan 8.300 nan 0.000 0.479 682 M N -0.485 119.205 119.600 0.150 0.000 2.159 682 M HA -0.172 4.304 4.480 -0.008 0.000 0.263 682 M C 2.042 178.401 176.300 0.098 0.000 1.063 682 M CA 1.517 56.877 55.300 0.100 0.000 1.110 682 M CB -0.183 32.472 32.600 0.092 0.000 1.374 682 M HN 0.264 nan 8.290 nan 0.000 0.411 683 L N 0.762 122.040 121.223 0.091 0.000 2.291 683 L HA -0.043 4.292 4.340 -0.008 0.000 0.214 683 L C 1.289 178.208 176.870 0.081 0.000 1.120 683 L CA 1.548 56.449 54.840 0.100 0.000 0.799 683 L CB -0.573 41.555 42.059 0.115 0.000 0.925 683 L HN 0.339 nan 8.230 nan 0.000 0.446 684 N N -0.112 118.625 118.700 0.062 0.000 2.235 684 N HA 0.174 4.909 4.740 -0.008 0.000 0.209 684 N C 0.854 176.400 175.510 0.060 0.000 1.122 684 N CA 0.798 53.878 53.050 0.049 0.000 0.845 684 N CB 0.581 39.074 38.487 0.010 0.000 1.004 684 N HN 0.417 nan 8.380 nan 0.000 0.499 685 G N 0.365 109.207 108.800 0.070 0.000 2.130 685 G HA2 -0.173 3.782 3.960 -0.008 0.000 0.216 685 G HA3 -0.173 3.782 3.960 -0.008 0.000 0.216 685 G C -0.060 174.910 174.900 0.116 0.000 0.999 685 G CA 0.071 45.215 45.100 0.073 0.000 0.686 685 G HN 0.518 nan 8.290 nan 0.000 0.515 686 A N -0.218 122.677 122.820 0.126 0.000 2.340 686 A HA 0.890 5.206 4.320 -0.008 0.000 0.331 686 A C 0.312 177.899 177.584 0.005 0.000 1.140 686 A CA -0.642 51.486 52.037 0.152 0.000 0.801 686 A CB 1.125 20.280 19.000 0.258 0.000 1.234 686 A HN 0.683 nan 8.150 nan 0.000 0.469 687 L N 0.810 121.998 121.223 -0.058 0.000 2.421 687 L HA 0.474 4.809 4.340 -0.008 0.000 0.263 687 L C 0.172 176.912 176.870 -0.218 0.000 1.122 687 L CA -0.350 54.351 54.840 -0.233 0.000 0.804 687 L CB 1.602 43.439 42.059 -0.370 0.000 1.150 687 L HN 0.699 nan 8.230 nan 0.000 0.457 688 T N 2.695 116.987 114.554 -0.435 0.000 2.797 688 T HA 0.476 4.821 4.350 -0.008 0.000 0.279 688 T C -0.489 174.083 174.700 -0.214 0.000 0.991 688 T CA -0.270 61.562 62.100 -0.447 0.000 0.979 688 T CB 1.599 70.001 68.868 -0.776 0.000 0.943 688 T HN 0.360 nan 8.240 nan 0.000 0.444 689 I N 2.878 123.419 120.570 -0.048 0.000 2.362 689 I HA 0.735 4.900 4.170 -0.008 0.000 0.289 689 I C 0.018 176.276 176.117 0.235 0.000 0.994 689 I CA 0.041 61.426 61.300 0.142 0.000 1.158 689 I CB 0.405 38.418 38.000 0.022 0.000 1.315 689 I HN 0.796 nan 8.210 nan 0.000 0.451 690 G N 3.958 112.984 108.800 0.377 0.000 2.559 690 G HA2 0.446 4.402 3.960 -0.008 0.000 0.291 690 G HA3 0.446 4.402 3.960 -0.008 0.000 0.291 690 G C -0.934 173.947 174.900 -0.032 0.000 1.424 690 G CA -0.341 44.914 45.100 0.259 0.000 0.786 690 G HN 0.578 nan 8.290 nan 0.000 0.485 691 T N -1.559 112.841 114.554 -0.257 0.000 2.847 691 T HA 0.532 4.877 4.350 -0.008 0.000 0.279 691 T C 0.686 175.283 174.700 -0.172 0.000 0.984 691 T CA -0.688 61.166 62.100 -0.410 0.000 0.988 691 T CB 1.173 69.802 68.868 -0.398 0.000 1.040 691 T HN 0.262 nan 8.240 nan 0.000 0.528 692 M N 2.851 122.355 119.600 -0.159 0.000 3.436 692 M HA 0.331 4.806 4.480 -0.008 0.000 0.240 692 M C -0.481 175.771 176.300 -0.081 0.000 1.469 692 M CA -0.057 55.185 55.300 -0.097 0.000 1.622 692 M CB -1.704 30.845 32.600 -0.085 0.000 1.098 692 M HN 0.736 nan 8.290 nan 0.000 0.568 693 D N -0.018 120.341 120.400 -0.069 0.000 2.601 693 D HA 0.683 5.319 4.640 -0.008 0.000 0.230 693 D C 0.713 176.992 176.300 -0.034 0.000 1.106 693 D CA 0.683 54.654 54.000 -0.048 0.000 0.873 693 D CB 1.748 42.521 40.800 -0.046 0.000 1.515 693 D HN 0.597 nan 8.370 nan 0.000 0.468 694 G N 1.523 110.310 108.800 -0.022 0.000 2.627 694 G HA2 -0.259 3.696 3.960 -0.008 0.000 0.312 694 G HA3 -0.259 3.696 3.960 -0.008 0.000 0.312 694 G C 1.080 175.972 174.900 -0.013 0.000 1.299 694 G CA 1.191 46.282 45.100 -0.015 0.000 0.989 694 G HN 1.060 nan 8.290 nan 0.000 0.547 695 A N -0.482 122.326 122.820 -0.020 0.000 2.121 695 A HA 0.025 4.341 4.320 -0.008 0.000 0.218 695 A C 2.156 179.678 177.584 -0.104 0.000 1.154 695 A CA 2.001 54.018 52.037 -0.033 0.000 0.679 695 A CB -0.488 18.478 19.000 -0.057 0.000 0.795 695 A HN 0.646 nan 8.150 nan 0.000 0.458 696 N N 0.515 119.165 118.700 -0.084 0.000 2.137 696 N HA -0.159 4.576 4.740 -0.008 0.000 0.190 696 N C 1.604 177.004 175.510 -0.184 0.000 1.017 696 N CA 1.636 54.636 53.050 -0.083 0.000 0.859 696 N CB -0.655 37.832 38.487 0.001 0.000 1.002 696 N HN 0.298 nan 8.380 nan 0.000 0.428 697 V N 1.294 121.137 119.914 -0.119 0.000 2.287 697 V HA -0.216 3.899 4.120 -0.008 0.000 0.248 697 V C 1.980 178.001 176.094 -0.122 0.000 1.053 697 V CA 1.706 63.932 62.300 -0.122 0.000 1.027 697 V CB -0.505 31.279 31.823 -0.066 0.000 0.646 697 V HN 0.357 nan 8.190 nan 0.000 0.447 698 E N -0.593 119.585 120.200 -0.036 0.000 2.152 698 E HA -0.145 4.200 4.350 -0.008 0.000 0.192 698 E C 2.204 178.890 176.600 0.144 0.000 0.983 698 E CA 1.087 57.535 56.400 0.081 0.000 0.818 698 E CB -0.188 29.645 29.700 0.222 0.000 0.758 698 E HN 0.548 nan 8.360 nan 0.000 0.467 699 M N 0.457 120.019 119.600 -0.063 0.000 2.099 699 M HA -0.131 4.344 4.480 -0.008 0.000 0.262 699 M C 2.505 178.501 176.300 -0.506 0.000 1.067 699 M CA 1.534 56.707 55.300 -0.211 0.000 1.124 699 M CB -0.190 32.164 32.600 -0.410 0.000 1.353 699 M HN 0.136 nan 8.290 nan 0.000 0.410 700 A N -0.101 122.153 122.820 -0.944 0.000 1.933 700 A HA -0.221 4.094 4.320 -0.008 0.000 0.218 700 A C 1.992 179.352 177.584 -0.372 0.000 1.175 700 A CA 1.976 53.418 52.037 -0.991 0.000 0.628 700 A CB -0.813 17.716 19.000 -0.783 0.000 0.814 700 A HN 0.594 nan 8.150 nan 0.000 0.444 701 E N -0.428 119.635 120.200 -0.228 0.000 2.077 701 E HA -0.207 4.138 4.350 -0.008 0.000 0.193 701 E C 1.767 178.329 176.600 -0.063 0.000 0.989 701 E CA 1.218 57.552 56.400 -0.109 0.000 0.800 701 E CB -0.064 29.596 29.700 -0.067 0.000 0.746 701 E HN 0.561 nan 8.360 nan 0.000 0.452 702 E N 0.104 120.291 120.200 -0.022 0.000 2.072 702 E HA -0.119 4.226 4.350 -0.008 0.000 0.190 702 E C 1.869 178.481 176.600 0.020 0.000 0.982 702 E CA 1.112 57.524 56.400 0.020 0.000 0.803 702 E CB -0.149 29.615 29.700 0.108 0.000 0.755 702 E HN 0.360 nan 8.360 nan 0.000 0.453 703 A N 0.391 123.223 122.820 0.019 0.000 2.021 703 A HA 0.327 4.642 4.320 -0.008 0.000 0.216 703 A C 1.062 178.655 177.584 0.015 0.000 1.163 703 A CA 1.144 53.212 52.037 0.051 0.000 0.676 703 A CB 0.045 19.136 19.000 0.152 0.000 0.818 703 A HN 0.257 nan 8.150 nan 0.000 0.453 704 G N -0.553 108.227 108.800 -0.034 0.000 3.233 704 G HA2 -0.064 3.891 3.960 -0.008 0.000 0.686 704 G HA3 -0.064 3.891 3.960 -0.008 0.000 0.686 704 G C -0.054 174.824 174.900 -0.038 0.000 1.153 704 G CA -0.006 45.072 45.100 -0.036 0.000 0.853 704 G HN 0.225 nan 8.290 nan 0.000 0.582 705 E N 0.925 121.093 120.200 -0.054 0.000 2.219 705 E HA -0.195 4.150 4.350 -0.008 0.000 0.198 705 E C 1.959 178.546 176.600 -0.023 0.000 0.998 705 E CA 1.789 58.168 56.400 -0.035 0.000 0.818 705 E CB 0.084 29.762 29.700 -0.036 0.000 0.741 705 E HN 0.762 nan 8.360 nan 0.000 0.477 706 E N 0.629 120.803 120.200 -0.042 0.000 2.338 706 E HA -0.073 4.272 4.350 -0.008 0.000 0.197 706 E C 0.896 177.410 176.600 -0.143 0.000 1.007 706 E CA 0.565 56.919 56.400 -0.077 0.000 0.849 706 E CB -0.021 29.647 29.700 -0.054 0.000 0.774 706 E HN 0.166 nan 8.360 nan 0.000 0.506 707 N N -0.307 118.337 118.700 -0.094 0.000 2.238 707 N HA 0.150 4.885 4.740 -0.008 0.000 0.222 707 N C -0.962 174.470 175.510 -0.130 0.000 1.133 707 N CA 0.063 53.030 53.050 -0.139 0.000 0.854 707 N CB 0.421 38.886 38.487 -0.038 0.000 1.041 707 N HN 0.046 nan 8.380 nan 0.000 0.510 708 F N -0.338 119.384 119.950 -0.380 0.000 2.576 708 F HA 0.414 4.935 4.527 -0.009 0.000 0.313 708 F C -0.821 174.740 175.800 -0.399 0.000 1.078 708 F CA -1.106 56.706 58.000 -0.313 0.000 0.921 708 F CB 1.339 40.257 39.000 -0.136 0.000 1.232 708 F HN -0.218 nan 8.300 nan 0.000 0.459 709 F N 4.989 124.943 119.950 0.006 0.000 2.359 709 F HA 0.429 4.951 4.527 -0.008 0.000 0.355 709 F C -0.406 175.518 175.800 0.206 0.000 1.132 709 F CA -0.567 57.472 58.000 0.065 0.000 1.246 709 F CB -0.089 38.895 39.000 -0.026 0.000 1.569 709 F HN 0.020 nan 8.300 nan 0.000 0.561 710 I N 3.775 124.546 120.570 0.336 0.000 2.499 710 I HA 0.468 4.633 4.170 -0.008 0.000 0.296 710 I C -0.114 176.201 176.117 0.330 0.000 0.992 710 I CA -0.600 60.869 61.300 0.281 0.000 1.297 710 I CB 0.619 38.705 38.000 0.143 0.000 1.410 710 I HN 0.355 nan 8.210 nan 0.000 0.507 711 F N 2.221 122.235 119.950 0.105 0.000 2.779 711 F HA 0.884 5.406 4.527 -0.009 0.000 0.316 711 F C -0.006 175.834 175.800 0.067 0.000 1.164 711 F CA -0.643 57.410 58.000 0.089 0.000 0.924 711 F CB 0.701 39.766 39.000 0.109 0.000 1.348 711 F HN 0.924 nan 8.300 nan 0.000 0.467 712 G N 0.934 109.746 108.800 0.020 0.000 2.828 712 G HA2 -0.080 3.876 3.960 -0.008 0.000 0.463 712 G HA3 -0.080 3.876 3.960 -0.008 0.000 0.463 712 G C -0.808 174.040 174.900 -0.087 0.000 1.394 712 G CA -0.541 44.506 45.100 -0.088 0.000 0.862 712 G HN 0.969 nan 8.290 nan 0.000 0.540 713 M N 0.708 120.275 119.600 -0.055 0.000 2.252 713 M HA 0.261 4.736 4.480 -0.008 0.000 0.333 713 M C 1.181 177.439 176.300 -0.070 0.000 1.111 713 M CA 0.107 55.388 55.300 -0.032 0.000 1.140 713 M CB 0.327 32.920 32.600 -0.012 0.000 1.538 713 M HN 0.511 nan 8.290 nan 0.000 0.448 714 R N 1.418 121.893 120.500 -0.042 0.000 2.607 714 R HA 0.318 4.653 4.340 -0.008 0.000 0.261 714 R C 1.187 177.466 176.300 -0.035 0.000 1.051 714 R CA -0.584 55.487 56.100 -0.047 0.000 1.110 714 R CB 0.248 30.529 30.300 -0.032 0.000 1.158 714 R HN 0.575 nan 8.270 nan 0.000 0.543 715 V N 1.578 121.471 119.914 -0.035 0.000 2.317 715 V HA -0.290 3.826 4.120 -0.008 0.000 0.251 715 V C 1.813 177.896 176.094 -0.018 0.000 1.065 715 V CA 2.077 64.360 62.300 -0.028 0.000 1.049 715 V CB -0.451 31.355 31.823 -0.029 0.000 0.651 715 V HN 0.633 nan 8.190 nan 0.000 0.450 716 E N 0.086 120.278 120.200 -0.015 0.000 2.153 716 E HA -0.180 4.165 4.350 -0.008 0.000 0.194 716 E C 1.939 178.541 176.600 0.005 0.000 0.988 716 E CA 1.315 57.712 56.400 -0.006 0.000 0.811 716 E CB -0.403 29.294 29.700 -0.004 0.000 0.746 716 E HN 0.631 nan 8.360 nan 0.000 0.466 717 D N -0.242 120.162 120.400 0.007 0.000 2.144 717 D HA -0.087 4.548 4.640 -0.008 0.000 0.200 717 D C 1.941 178.255 176.300 0.024 0.000 0.978 717 D CA 0.768 54.781 54.000 0.023 0.000 0.833 717 D CB -0.031 40.785 40.800 0.026 0.000 0.961 717 D HN 0.070 nan 8.370 nan 0.000 0.470 718 V N 1.897 121.813 119.914 0.003 0.000 2.358 718 V HA -0.197 3.918 4.120 -0.008 0.000 0.246 718 V C 1.990 178.085 176.094 0.002 0.000 1.047 718 V CA 1.586 63.881 62.300 -0.008 0.000 1.035 718 V CB -0.368 31.440 31.823 -0.024 0.000 0.658 718 V HN 0.055 nan 8.190 nan 0.000 0.452 719 D N 0.023 120.424 120.400 0.002 0.000 2.097 719 D HA -0.160 4.475 4.640 -0.008 0.000 0.195 719 D C 2.404 178.717 176.300 0.021 0.000 0.989 719 D CA 1.287 55.291 54.000 0.006 0.000 0.827 719 D CB -0.236 40.565 40.800 0.001 0.000 0.966 719 D HN 0.367 nan 8.370 nan 0.000 0.456 720 R N 0.259 120.776 120.500 0.028 0.000 2.091 720 R HA -0.058 4.277 4.340 -0.008 0.000 0.238 720 R C 2.568 178.904 176.300 0.061 0.000 1.136 720 R CA 0.573 56.698 56.100 0.041 0.000 0.959 720 R CB -0.397 29.929 30.300 0.044 0.000 0.856 720 R HN 0.194 nan 8.270 nan 0.000 0.437 721 L N 0.641 121.909 121.223 0.075 0.000 2.046 721 L HA -0.221 4.114 4.340 -0.008 0.000 0.208 721 L C 1.596 178.533 176.870 0.110 0.000 1.077 721 L CA 1.361 56.272 54.840 0.118 0.000 0.747 721 L CB -0.292 41.849 42.059 0.136 0.000 0.896 721 L HN 0.257 nan 8.230 nan 0.000 0.432 722 D N -0.615 119.825 120.400 0.066 0.000 2.117 722 D HA -0.200 4.435 4.640 -0.008 0.000 0.198 722 D C 2.203 178.536 176.300 0.054 0.000 0.982 722 D CA 1.091 55.124 54.000 0.056 0.000 0.828 722 D CB -0.071 40.741 40.800 0.021 0.000 0.967 722 D HN 0.455 nan 8.370 nan 0.000 0.464 723 Q N 0.142 119.969 119.800 0.045 0.000 2.124 723 Q HA -0.125 4.210 4.340 -0.008 0.000 0.202 723 Q C 2.239 178.267 176.000 0.046 0.000 0.977 723 Q CA 0.936 56.762 55.803 0.038 0.000 0.850 723 Q CB 0.015 28.771 28.738 0.031 0.000 0.901 723 Q HN 0.166 nan 8.270 nan 0.000 0.429 724 R N -0.184 120.352 120.500 0.060 0.000 2.127 724 R HA 0.034 4.369 4.340 -0.008 0.000 0.217 724 R C -0.138 176.205 176.300 0.072 0.000 1.074 724 R CA 0.946 57.083 56.100 0.063 0.000 0.991 724 R CB 0.368 30.712 30.300 0.072 0.000 0.895 724 R HN 0.253 nan 8.270 nan 0.000 0.450 725 G N 0.176 109.035 108.800 0.097 0.000 3.444 725 G HA2 -0.233 3.722 3.960 -0.008 0.000 0.685 725 G HA3 -0.233 3.722 3.960 -0.008 0.000 0.685 725 G C -1.482 173.517 174.900 0.165 0.000 1.145 725 G CA -0.410 44.756 45.100 0.110 0.000 0.973 725 G HN 0.264 nan 8.290 nan 0.000 0.525 726 Y N 3.903 124.241 120.300 0.063 0.000 2.436 726 Y HA 0.562 5.108 4.550 -0.008 0.000 0.343 726 Y C 0.284 176.246 175.900 0.104 0.000 1.008 726 Y CA -1.021 57.135 58.100 0.094 0.000 1.241 726 Y CB 0.931 39.425 38.460 0.057 0.000 1.153 726 Y HN 0.548 nan 8.280 nan 0.000 0.521 727 N N 5.263 123.751 118.700 -0.354 0.000 2.564 727 N HA 0.265 5.001 4.740 -0.008 0.000 0.248 727 N C 0.239 175.514 175.510 -0.391 0.000 0.986 727 N CA 0.383 53.239 53.050 -0.323 0.000 0.921 727 N CB 1.552 39.978 38.487 -0.103 0.000 1.136 727 N HN 0.886 nan 8.380 nan 0.000 0.509 728 A N 3.056 125.537 122.820 -0.566 0.000 1.978 728 A HA -0.221 4.094 4.320 -0.008 0.000 0.220 728 A C 1.917 179.635 177.584 0.223 0.000 1.170 728 A CA 1.476 53.423 52.037 -0.149 0.000 0.636 728 A CB -0.353 18.491 19.000 -0.260 0.000 0.810 728 A HN 0.732 nan 8.150 nan 0.000 0.448 729 Q N 0.277 120.103 119.800 0.043 0.000 2.152 729 Q HA -0.248 4.087 4.340 -0.008 0.000 0.206 729 Q C 1.874 177.948 176.000 0.123 0.000 0.985 729 Q CA 2.387 58.227 55.803 0.062 0.000 0.863 729 Q CB -0.395 28.334 28.738 -0.015 0.000 0.904 729 Q HN 0.786 nan 8.270 nan 0.000 0.422 730 E N -1.452 118.775 120.200 0.045 0.000 2.058 730 E HA -0.242 4.104 4.350 -0.008 0.000 0.194 730 E C 1.567 178.110 176.600 -0.095 0.000 0.997 730 E CA 1.488 57.846 56.400 -0.071 0.000 0.801 730 E CB -0.243 29.327 29.700 -0.217 0.000 0.746 730 E HN 0.594 nan 8.360 nan 0.000 0.450 731 Y N -1.055 119.312 120.300 0.111 0.000 2.200 731 Y HA -0.199 4.346 4.550 -0.008 0.000 0.290 731 Y C 2.218 178.115 175.900 -0.004 0.000 1.137 731 Y CA 1.495 59.645 58.100 0.082 0.000 1.163 731 Y CB -0.723 37.831 38.460 0.156 0.000 0.988 731 Y HN 0.243 nan 8.280 nan 0.000 0.518 732 Y N 1.327 121.651 120.300 0.040 0.000 2.207 732 Y HA -0.257 4.289 4.550 -0.008 0.000 0.287 732 Y C 1.754 177.618 175.900 -0.059 0.000 1.156 732 Y CA 1.807 59.855 58.100 -0.086 0.000 1.182 732 Y CB -0.404 38.055 38.460 -0.002 0.000 0.979 732 Y HN 0.087 nan 8.280 nan 0.000 0.521 733 D N -0.294 120.233 120.400 0.210 0.000 2.183 733 D HA -0.078 4.557 4.640 -0.008 0.000 0.203 733 D C 1.729 178.020 176.300 -0.015 0.000 0.969 733 D CA 1.112 55.174 54.000 0.103 0.000 0.842 733 D CB -0.094 40.768 40.800 0.104 0.000 0.957 733 D HN 0.491 nan 8.370 nan 0.000 0.484 734 R N -0.117 120.366 120.500 -0.029 0.000 2.362 734 R HA 0.296 4.631 4.340 -0.008 0.000 0.227 734 R C 0.348 176.625 176.300 -0.038 0.000 0.905 734 R CA 0.055 56.132 56.100 -0.039 0.000 1.067 734 R CB 1.181 31.453 30.300 -0.048 0.000 1.078 734 R HN 0.131 nan 8.270 nan 0.000 0.516 735 I N 2.019 122.545 120.570 -0.073 0.000 2.495 735 I HA 0.221 4.386 4.170 -0.008 0.000 0.277 735 I C -1.963 174.057 176.117 -0.162 0.000 1.045 735 I CA -2.360 58.898 61.300 -0.070 0.000 1.135 735 I CB 2.209 40.193 38.000 -0.028 0.000 1.241 735 I HN -0.291 nan 8.210 nan 0.000 0.469 736 P HA -0.202 nan 4.420 nan 0.000 0.216 736 P C 1.203 178.405 177.300 -0.163 0.000 1.157 736 P CA 1.532 64.542 63.100 -0.150 0.000 0.880 736 P CB 0.298 31.944 31.700 -0.090 0.000 0.791 737 E N -1.064 119.077 120.200 -0.098 0.000 2.110 737 E HA -0.185 4.160 4.350 -0.008 0.000 0.193 737 E C 1.911 178.405 176.600 -0.176 0.000 0.988 737 E CA 0.809 57.164 56.400 -0.075 0.000 0.804 737 E CB -0.658 29.070 29.700 0.047 0.000 0.745 737 E HN 0.119 nan 8.360 nan 0.000 0.458 738 L N 1.328 122.359 121.223 -0.320 0.000 2.056 738 L HA -0.142 4.194 4.340 -0.008 0.000 0.207 738 L C 2.365 178.944 176.870 -0.485 0.000 1.078 738 L CA 1.663 56.141 54.840 -0.604 0.000 0.749 738 L CB -0.331 41.221 42.059 -0.846 0.000 0.901 738 L HN -0.082 nan 8.230 nan 0.000 0.433 739 R N -0.740 119.450 120.500 -0.516 0.000 2.091 739 R HA -0.248 4.088 4.340 -0.008 0.000 0.238 739 R C 2.397 178.495 176.300 -0.336 0.000 1.136 739 R CA 1.980 57.675 56.100 -0.675 0.000 0.959 739 R CB -0.371 29.451 30.300 -0.796 0.000 0.856 739 R HN 0.659 nan 8.270 nan 0.000 0.437 740 Q N 0.488 120.142 119.800 -0.244 0.000 2.096 740 Q HA -0.188 4.147 4.340 -0.008 0.000 0.204 740 Q C 2.047 177.980 176.000 -0.111 0.000 0.982 740 Q CA 1.940 57.651 55.803 -0.153 0.000 0.850 740 Q CB -0.130 28.525 28.738 -0.137 0.000 0.901 740 Q HN 0.484 nan 8.270 nan 0.000 0.422 741 I N 0.620 121.121 120.570 -0.115 0.000 2.179 741 I HA -0.279 3.886 4.170 -0.008 0.000 0.242 741 I C 2.147 178.273 176.117 0.016 0.000 1.088 741 I CA 0.703 61.976 61.300 -0.045 0.000 1.357 741 I CB -0.323 37.630 38.000 -0.079 0.000 1.051 741 I HN 0.321 nan 8.210 nan 0.000 0.409 742 I N 0.859 121.433 120.570 0.007 0.000 2.286 742 I HA -0.243 3.922 4.170 -0.008 0.000 0.248 742 I C 2.428 178.634 176.117 0.147 0.000 1.115 742 I CA 1.656 63.031 61.300 0.125 0.000 1.392 742 I CB -1.266 36.887 38.000 0.255 0.000 1.065 742 I HN 0.362 nan 8.210 nan 0.000 0.418 743 E N 0.309 120.570 120.200 0.102 0.000 2.106 743 E HA -0.209 4.137 4.350 -0.008 0.000 0.192 743 E C 2.139 178.795 176.600 0.095 0.000 0.984 743 E CA 0.763 57.223 56.400 0.101 0.000 0.806 743 E CB -0.103 29.628 29.700 0.052 0.000 0.750 743 E HN 0.596 nan 8.360 nan 0.000 0.458 744 Q N 0.585 120.422 119.800 0.062 0.000 2.084 744 Q HA -0.128 4.207 4.340 -0.008 0.000 0.202 744 Q C 2.381 178.539 176.000 0.263 0.000 0.978 744 Q CA 0.997 56.845 55.803 0.075 0.000 0.844 744 Q CB -0.073 28.613 28.738 -0.087 0.000 0.898 744 Q HN 0.290 nan 8.270 nan 0.000 0.426 745 L N 0.038 121.431 121.223 0.284 0.000 1.994 745 L HA -0.211 4.124 4.340 -0.008 0.000 0.208 745 L C 2.493 179.540 176.870 0.295 0.000 1.071 745 L CA 1.116 56.150 54.840 0.323 0.000 0.745 745 L CB -0.436 41.739 42.059 0.194 0.000 0.892 745 L HN 0.147 nan 8.230 nan 0.000 0.431 746 S N -0.272 115.557 115.700 0.216 0.000 2.368 746 S HA -0.166 4.299 4.470 -0.008 0.000 0.225 746 S C 2.066 176.762 174.600 0.161 0.000 1.030 746 S CA 1.571 59.878 58.200 0.179 0.000 0.999 746 S CB -0.289 62.998 63.200 0.145 0.000 0.844 746 S HN 0.616 nan 8.310 nan 0.000 0.459 747 S N 0.434 116.228 115.700 0.157 0.000 2.561 747 S HA 0.286 4.752 4.470 -0.008 0.000 0.225 747 S C 1.456 176.138 174.600 0.136 0.000 0.977 747 S CA 0.770 59.049 58.200 0.131 0.000 0.926 747 S CB -0.161 63.110 63.200 0.118 0.000 0.769 747 S HN 0.840 nan 8.310 nan 0.000 0.533 748 G N 0.544 109.456 108.800 0.186 0.000 2.131 748 G HA2 -0.289 3.666 3.960 -0.008 0.000 0.223 748 G HA3 -0.289 3.666 3.960 -0.008 0.000 0.223 748 G C 0.212 175.189 174.900 0.129 0.000 0.990 748 G CA 0.113 45.312 45.100 0.164 0.000 0.671 748 G HN 0.546 nan 8.290 nan 0.000 0.521 749 F N 0.367 120.305 119.950 -0.020 0.000 2.202 749 F HA 0.177 4.699 4.527 -0.008 0.000 0.301 749 F C 1.747 177.321 175.800 -0.376 0.000 1.082 749 F CA 1.894 59.755 58.000 -0.230 0.000 1.313 749 F CB -0.055 38.726 39.000 -0.365 0.000 1.024 749 F HN 0.166 nan 8.300 nan 0.000 0.495 750 F N -0.345 119.738 119.950 0.222 0.000 2.664 750 F HA 0.222 4.744 4.527 -0.008 0.000 0.303 750 F C 0.639 176.538 175.800 0.165 0.000 1.092 750 F CA 0.221 58.306 58.000 0.142 0.000 1.305 750 F CB -0.090 39.006 39.000 0.160 0.000 1.054 750 F HN -0.010 nan 8.300 nan 0.000 0.565 751 S N -2.130 113.705 115.700 0.224 0.000 2.605 751 S HA 0.307 4.772 4.470 -0.008 0.000 0.142 751 S C -2.431 172.181 174.600 0.021 0.000 1.452 751 S CA -0.999 57.269 58.200 0.113 0.000 1.240 751 S CB 0.784 64.022 63.200 0.064 0.000 1.538 751 S HN -0.178 nan 8.310 nan 0.000 0.394 752 P HA -0.191 nan 4.420 nan 0.000 0.216 752 P C 1.215 178.497 177.300 -0.030 0.000 1.167 752 P CA 1.661 64.728 63.100 -0.055 0.000 0.914 752 P CB 0.059 31.703 31.700 -0.093 0.000 0.793 753 K N -1.168 119.215 120.400 -0.028 0.000 2.362 753 K HA -0.074 4.241 4.320 -0.008 0.000 0.200 753 K C 0.667 177.259 176.600 -0.013 0.000 1.046 753 K CA 0.919 57.195 56.287 -0.019 0.000 0.952 753 K CB -0.118 32.372 32.500 -0.016 0.000 0.753 753 K HN 0.375 nan 8.250 nan 0.000 0.466 754 Q N -0.493 119.298 119.800 -0.016 0.000 3.300 754 Q HA 0.147 4.482 4.340 -0.008 0.000 0.271 754 Q C -2.376 173.611 176.000 -0.021 0.000 0.926 754 Q CA -1.513 54.276 55.803 -0.023 0.000 0.788 754 Q CB 1.517 30.231 28.738 -0.039 0.000 1.385 754 Q HN -0.089 nan 8.270 nan 0.000 0.424 755 P HA -0.243 nan 4.420 nan 0.000 0.218 755 P C 0.548 177.880 177.300 0.054 0.000 1.152 755 P CA 1.638 64.762 63.100 0.039 0.000 0.857 755 P CB 0.174 31.895 31.700 0.036 0.000 0.787 756 D N -1.870 118.545 120.400 0.025 0.000 2.463 756 D HA 0.008 4.643 4.640 -0.008 0.000 0.224 756 D C 1.437 177.731 176.300 -0.010 0.000 1.174 756 D CA -0.331 53.691 54.000 0.037 0.000 0.829 756 D CB -0.852 39.972 40.800 0.040 0.000 0.993 756 D HN 0.015 nan 8.370 nan 0.000 0.497 757 L N -0.258 120.892 121.223 -0.120 0.000 2.079 757 L HA 0.018 4.353 4.340 -0.008 0.000 0.210 757 L C 0.949 177.579 176.870 -0.399 0.000 1.081 757 L CA 1.650 56.296 54.840 -0.323 0.000 0.752 757 L CB -0.588 41.101 42.059 -0.616 0.000 0.896 757 L HN 0.021 nan 8.230 nan 0.000 0.433 758 F N -0.469 119.535 119.950 0.089 0.000 2.730 758 F HA 0.156 4.678 4.527 -0.008 0.000 0.295 758 F C 1.806 177.656 175.800 0.084 0.000 1.143 758 F CA -0.200 57.843 58.000 0.073 0.000 1.367 758 F CB -0.324 38.708 39.000 0.053 0.000 0.970 758 F HN 0.101 nan 8.300 nan 0.000 0.514 759 K N -0.414 120.097 120.400 0.186 0.000 2.097 759 K HA -0.169 4.146 4.320 -0.008 0.000 0.206 759 K C 0.967 177.665 176.600 0.163 0.000 1.049 759 K CA 1.899 58.281 56.287 0.157 0.000 0.933 759 K CB -0.231 32.337 32.500 0.114 0.000 0.717 759 K HN 0.086 nan 8.250 nan 0.000 0.442 760 D N 1.420 121.931 120.400 0.185 0.000 2.117 760 D HA -0.100 4.536 4.640 -0.008 0.000 0.197 760 D C 2.094 178.503 176.300 0.182 0.000 0.987 760 D CA 1.202 55.325 54.000 0.204 0.000 0.829 760 D CB -0.142 40.822 40.800 0.274 0.000 0.961 760 D HN 0.310 nan 8.370 nan 0.000 0.460 761 I N 0.638 121.316 120.570 0.181 0.000 2.179 761 I HA -0.220 3.945 4.170 -0.008 0.000 0.242 761 I C 2.470 178.631 176.117 0.074 0.000 1.088 761 I CA 0.654 62.027 61.300 0.122 0.000 1.357 761 I CB -0.261 37.809 38.000 0.116 0.000 1.051 761 I HN -0.113 nan 8.210 nan 0.000 0.409 762 V N 1.220 121.195 119.914 0.101 0.000 2.295 762 V HA -0.296 3.819 4.120 -0.008 0.000 0.246 762 V C 2.260 178.337 176.094 -0.028 0.000 1.049 762 V CA 2.375 64.713 62.300 0.063 0.000 1.024 762 V CB -0.977 30.909 31.823 0.106 0.000 0.648 762 V HN 0.478 nan 8.190 nan 0.000 0.447 763 N N -0.050 118.660 118.700 0.017 0.000 2.069 763 N HA -0.219 4.516 4.740 -0.008 0.000 0.191 763 N C 1.854 177.209 175.510 -0.259 0.000 1.031 763 N CA 1.923 54.971 53.050 -0.004 0.000 0.852 763 N CB -0.299 38.276 38.487 0.145 0.000 1.018 763 N HN 0.334 nan 8.380 nan 0.000 0.423 764 M N -0.217 119.276 119.600 -0.179 0.000 2.067 764 M HA -0.102 4.373 4.480 -0.008 0.000 0.260 764 M C 1.517 177.627 176.300 -0.315 0.000 1.069 764 M CA 1.318 56.443 55.300 -0.292 0.000 1.117 764 M CB -0.702 31.952 32.600 0.091 0.000 1.334 764 M HN 0.220 nan 8.290 nan 0.000 0.407 765 L N 0.702 121.779 121.223 -0.243 0.000 2.042 765 L HA -0.221 4.114 4.340 -0.008 0.000 0.210 765 L C 2.464 178.997 176.870 -0.561 0.000 1.076 765 L CA 1.678 56.277 54.840 -0.401 0.000 0.749 765 L CB -0.946 40.924 42.059 -0.314 0.000 0.893 765 L HN 0.345 nan 8.230 nan 0.000 0.432 766 M N -2.049 117.262 119.600 -0.481 0.000 2.334 766 M HA -0.045 4.430 4.480 -0.008 0.000 0.266 766 M C 1.855 177.714 176.300 -0.735 0.000 1.082 766 M CA 1.391 56.327 55.300 -0.607 0.000 1.141 766 M CB -0.791 31.357 32.600 -0.754 0.000 1.380 766 M HN 0.328 nan 8.290 nan 0.000 0.440 767 H N -1.698 117.190 119.070 -0.303 0.000 2.927 767 H HA 0.195 4.746 4.556 -0.008 0.000 0.255 767 H C 0.041 175.273 175.328 -0.160 0.000 0.974 767 H CA 0.625 56.531 56.048 -0.237 0.000 1.199 767 H CB 0.252 29.911 29.762 -0.173 0.000 1.447 767 H HN 0.536 nan 8.280 nan 0.000 0.467 768 H N -1.197 117.924 119.070 0.084 0.000 2.695 768 H HA 0.280 4.831 4.556 -0.008 0.000 0.222 768 H C -1.255 174.093 175.328 0.034 0.000 1.412 768 H CA -0.726 55.362 56.048 0.067 0.000 1.347 768 H CB -0.089 29.716 29.762 0.071 0.000 1.858 768 H HN -0.115 nan 8.280 nan 0.000 0.519 769 D N 1.354 121.792 120.400 0.064 0.000 2.411 769 D HA 0.154 4.790 4.640 -0.008 0.000 0.225 769 D C 0.836 177.093 176.300 -0.072 0.000 1.156 769 D CA -0.494 53.520 54.000 0.023 0.000 0.874 769 D CB 0.746 41.530 40.800 -0.026 0.000 1.034 769 D HN 0.482 nan 8.370 nan 0.000 0.502 770 R N 2.306 122.667 120.500 -0.231 0.000 2.237 770 R HA -0.034 4.301 4.340 -0.008 0.000 0.219 770 R C 0.564 176.352 176.300 -0.852 0.000 1.080 770 R CA 0.838 56.590 56.100 -0.580 0.000 0.995 770 R CB 0.092 29.866 30.300 -0.876 0.000 0.875 770 R HN 0.403 nan 8.270 nan 0.000 0.462 771 F N 0.573 120.494 119.950 -0.048 0.000 2.647 771 F HA 0.257 4.779 4.527 -0.008 0.000 0.300 771 F C 0.038 175.716 175.800 -0.202 0.000 1.106 771 F CA -0.739 57.212 58.000 -0.082 0.000 1.313 771 F CB 0.097 39.110 39.000 0.021 0.000 1.007 771 F HN -0.250 nan 8.300 nan 0.000 0.536 772 K N -0.304 119.891 120.400 -0.341 0.000 3.490 772 K HA -0.190 4.126 4.320 -0.008 0.000 0.273 772 K C 1.047 177.522 176.600 -0.209 0.000 0.916 772 K CA 0.158 56.066 56.287 -0.631 0.000 0.718 772 K CB -1.723 30.312 32.500 -0.775 0.000 1.477 772 K HN 0.224 nan 8.250 nan 0.000 0.452 773 V N 0.109 119.982 119.914 -0.069 0.000 2.287 773 V HA -0.287 3.828 4.120 -0.008 0.000 0.248 773 V C 1.973 178.204 176.094 0.229 0.000 1.053 773 V CA 2.258 64.599 62.300 0.068 0.000 1.027 773 V CB -0.496 31.369 31.823 0.070 0.000 0.646 773 V HN 0.525 nan 8.190 nan 0.000 0.447 774 F N 0.263 120.215 119.950 0.003 0.000 2.171 774 F HA -0.211 4.311 4.527 -0.008 0.000 0.300 774 F C 2.547 178.146 175.800 -0.335 0.000 1.090 774 F CA 0.685 58.630 58.000 -0.090 0.000 1.293 774 F CB -0.430 38.518 39.000 -0.086 0.000 1.013 774 F HN 0.207 nan 8.300 nan 0.000 0.486 775 A N -0.441 122.215 122.820 -0.273 0.000 2.024 775 A HA -0.210 4.105 4.320 -0.008 0.000 0.220 775 A C 1.445 179.038 177.584 0.014 0.000 1.164 775 A CA 1.981 53.803 52.037 -0.358 0.000 0.643 775 A CB -0.473 18.433 19.000 -0.156 0.000 0.806 775 A HN 0.261 nan 8.150 nan 0.000 0.451 776 D N -2.962 117.501 120.400 0.105 0.000 2.398 776 D HA 0.099 4.734 4.640 -0.008 0.000 0.210 776 D C 1.116 177.595 176.300 0.298 0.000 1.094 776 D CA -0.087 54.047 54.000 0.224 0.000 0.839 776 D CB -0.102 40.835 40.800 0.229 0.000 0.963 776 D HN 0.586 nan 8.370 nan 0.000 0.506 777 Y N 2.194 122.589 120.300 0.159 0.000 2.070 777 Y HA -0.233 4.312 4.550 -0.008 0.000 0.280 777 Y C 2.123 178.119 175.900 0.159 0.000 1.148 777 Y CA 1.928 60.130 58.100 0.171 0.000 1.125 777 Y CB 0.153 38.678 38.460 0.108 0.000 0.975 777 Y HN -0.115 nan 8.280 nan 0.000 0.492 778 E N -0.026 120.267 120.200 0.155 0.000 2.049 778 E HA -0.285 4.060 4.350 -0.008 0.000 0.198 778 E C 2.237 178.817 176.600 -0.034 0.000 1.007 778 E CA 1.709 58.122 56.400 0.022 0.000 0.809 778 E CB -0.234 29.574 29.700 0.180 0.000 0.749 778 E HN 0.615 nan 8.360 nan 0.000 0.450 779 E N -0.434 119.825 120.200 0.097 0.000 2.153 779 E HA -0.202 4.143 4.350 -0.008 0.000 0.194 779 E C 1.894 178.504 176.600 0.016 0.000 0.988 779 E CA 0.674 57.152 56.400 0.129 0.000 0.811 779 E CB -0.069 29.798 29.700 0.278 0.000 0.746 779 E HN 0.254 nan 8.360 nan 0.000 0.466 780 Y N 0.827 120.967 120.300 -0.267 0.000 2.133 780 Y HA -0.218 4.327 4.550 -0.008 0.000 0.287 780 Y C 2.075 177.584 175.900 -0.652 0.000 1.134 780 Y CA 1.092 58.704 58.100 -0.813 0.000 1.133 780 Y CB -0.559 37.499 38.460 -0.669 0.000 0.987 780 Y HN -0.184 nan 8.280 nan 0.000 0.502 781 V N 0.493 120.052 119.914 -0.592 0.000 2.332 781 V HA -0.309 3.806 4.120 -0.008 0.000 0.248 781 V C 2.365 178.218 176.094 -0.402 0.000 1.055 781 V CA 2.328 64.285 62.300 -0.573 0.000 1.038 781 V CB -0.672 30.848 31.823 -0.506 0.000 0.651 781 V HN 0.210 nan 8.190 nan 0.000 0.450 782 K N -0.487 119.747 120.400 -0.276 0.000 2.026 782 K HA -0.176 4.139 4.320 -0.008 0.000 0.208 782 K C 2.258 178.754 176.600 -0.173 0.000 1.048 782 K CA 1.861 58.052 56.287 -0.160 0.000 0.929 782 K CB -1.030 31.429 32.500 -0.069 0.000 0.713 782 K HN 0.534 nan 8.250 nan 0.000 0.439 783 C N 0.860 120.031 119.300 -0.214 0.000 2.425 783 C HA -0.096 4.360 4.460 -0.008 0.000 0.277 783 C C 2.460 177.249 174.990 -0.334 0.000 1.280 783 C CA 0.784 59.697 59.018 -0.175 0.000 1.744 783 C CB -0.737 26.918 27.740 -0.142 0.000 1.989 783 C HN 0.473 nan 8.230 nan 0.000 0.491 784 Q N 0.409 119.876 119.800 -0.554 0.000 2.170 784 Q HA -0.164 4.172 4.340 -0.008 0.000 0.203 784 Q C 2.024 177.811 176.000 -0.355 0.000 0.976 784 Q CA 1.602 57.038 55.803 -0.612 0.000 0.858 784 Q CB -0.374 27.759 28.738 -1.007 0.000 0.907 784 Q HN 0.768 nan 8.270 nan 0.000 0.433 785 E N 0.214 120.265 120.200 -0.248 0.000 2.106 785 E HA -0.129 4.216 4.350 -0.008 0.000 0.192 785 E C 2.043 178.587 176.600 -0.094 0.000 0.984 785 E CA 0.497 56.817 56.400 -0.134 0.000 0.806 785 E CB -0.067 29.578 29.700 -0.093 0.000 0.750 785 E HN 0.273 nan 8.360 nan 0.000 0.458 786 R N 0.590 121.037 120.500 -0.089 0.000 2.115 786 R HA -0.077 4.258 4.340 -0.008 0.000 0.230 786 R C 2.388 178.660 176.300 -0.047 0.000 1.111 786 R CA 0.789 56.898 56.100 0.015 0.000 0.976 786 R CB -0.235 30.144 30.300 0.131 0.000 0.870 786 R HN 0.059 nan 8.270 nan 0.000 0.445 787 V N 0.408 120.104 119.914 -0.363 0.000 2.307 787 V HA -0.215 3.900 4.120 -0.008 0.000 0.245 787 V C 2.148 178.220 176.094 -0.036 0.000 1.045 787 V CA 1.888 63.882 62.300 -0.510 0.000 1.024 787 V CB -0.314 31.109 31.823 -0.667 0.000 0.651 787 V HN 0.269 nan 8.190 nan 0.000 0.449 788 S N 0.190 115.842 115.700 -0.080 0.000 2.382 788 S HA -0.167 4.298 4.470 -0.008 0.000 0.228 788 S C 2.187 176.842 174.600 0.091 0.000 1.027 788 S CA 1.374 59.567 58.200 -0.011 0.000 0.991 788 S CB -0.453 62.711 63.200 -0.059 0.000 0.823 788 S HN 0.647 nan 8.310 nan 0.000 0.469 789 A N 1.257 124.131 122.820 0.090 0.000 1.902 789 A HA 0.031 4.346 4.320 -0.008 0.000 0.217 789 A C 2.092 179.787 177.584 0.185 0.000 1.181 789 A CA 1.013 53.124 52.037 0.123 0.000 0.623 789 A CB -0.656 18.406 19.000 0.103 0.000 0.818 789 A HN 0.463 nan 8.150 nan 0.000 0.443 790 L N -2.076 119.316 121.223 0.282 0.000 2.093 790 L HA -0.144 4.191 4.340 -0.008 0.000 0.208 790 L C 2.464 179.611 176.870 0.462 0.000 1.085 790 L CA 1.602 56.688 54.840 0.409 0.000 0.755 790 L CB -0.366 42.048 42.059 0.592 0.000 0.904 790 L HN 0.582 nan 8.230 nan 0.000 0.435 791 Y N 1.001 121.435 120.300 0.223 0.000 2.403 791 Y HA -0.250 4.296 4.550 -0.007 0.000 0.291 791 Y C 2.288 178.118 175.900 -0.118 0.000 1.143 791 Y CA 1.507 59.471 58.100 -0.227 0.000 1.257 791 Y CB -0.082 38.048 38.460 -0.549 0.000 0.984 791 Y HN 0.078 nan 8.280 nan 0.000 0.550 792 K N -0.189 120.240 120.400 0.049 0.000 2.504 792 K HA -0.095 4.220 4.320 -0.008 0.000 0.195 792 K C 0.374 176.953 176.600 -0.035 0.000 1.036 792 K CA 0.569 56.866 56.287 0.017 0.000 0.984 792 K CB -0.046 32.514 32.500 0.099 0.000 0.788 792 K HN 0.051 nan 8.250 nan 0.000 0.488 793 N N 0.626 119.320 118.700 -0.009 0.000 2.851 793 N HA 0.136 4.871 4.740 -0.008 0.000 0.248 793 N C -2.453 173.056 175.510 -0.001 0.000 1.221 793 N CA -2.137 50.917 53.050 0.007 0.000 0.847 793 N CB 1.137 39.663 38.487 0.065 0.000 1.150 793 N HN -0.206 nan 8.380 nan 0.000 0.507 794 P HA -0.251 nan 4.420 nan 0.000 0.219 794 P C 1.431 178.743 177.300 0.020 0.000 1.161 794 P CA 1.480 64.508 63.100 -0.120 0.000 0.909 794 P CB 0.305 31.915 31.700 -0.149 0.000 0.793 795 R N -0.144 120.367 120.500 0.018 0.000 2.083 795 R HA -0.186 4.149 4.340 -0.008 0.000 0.237 795 R C 2.010 178.356 176.300 0.076 0.000 1.137 795 R CA 1.656 57.781 56.100 0.041 0.000 0.951 795 R CB -0.488 29.827 30.300 0.025 0.000 0.851 795 R HN 0.121 nan 8.270 nan 0.000 0.434 796 E N -0.146 120.109 120.200 0.091 0.000 2.208 796 E HA -0.212 4.133 4.350 -0.008 0.000 0.193 796 E C 1.602 178.285 176.600 0.138 0.000 0.988 796 E CA 0.633 57.091 56.400 0.097 0.000 0.828 796 E CB -0.392 29.362 29.700 0.091 0.000 0.763 796 E HN 0.549 nan 8.360 nan 0.000 0.478 797 W N 2.132 123.436 121.300 0.005 0.000 2.379 797 W HA -0.142 4.513 4.660 -0.009 0.000 0.307 797 W C 1.519 178.051 176.519 0.023 0.000 1.200 797 W CA 1.870 59.235 57.345 0.034 0.000 1.297 797 W CB -0.376 29.083 29.460 -0.001 0.000 1.140 797 W HN 0.001 nan 8.180 nan 0.000 0.507 798 T N 1.335 116.041 114.554 0.254 0.000 2.821 798 T HA -0.155 4.191 4.350 -0.008 0.000 0.267 798 T C 1.851 176.571 174.700 0.033 0.000 1.046 798 T CA 1.614 63.794 62.100 0.132 0.000 1.139 798 T CB -0.254 68.673 68.868 0.098 0.000 0.871 798 T HN 0.169 nan 8.240 nan 0.000 0.454 799 R N 0.427 120.950 120.500 0.039 0.000 2.092 799 R HA 0.108 4.443 4.340 -0.008 0.000 0.231 799 R C 2.474 178.768 176.300 -0.010 0.000 1.119 799 R CA 1.109 57.228 56.100 0.032 0.000 0.970 799 R CB -0.312 30.012 30.300 0.039 0.000 0.864 799 R HN 0.366 nan 8.270 nan 0.000 0.440 800 M N 0.426 119.983 119.600 -0.072 0.000 2.200 800 M HA -0.119 4.356 4.480 -0.008 0.000 0.265 800 M C 1.908 178.118 176.300 -0.149 0.000 1.066 800 M CA 1.284 56.502 55.300 -0.137 0.000 1.127 800 M CB 0.227 32.683 32.600 -0.239 0.000 1.379 800 M HN -0.023 nan 8.290 nan 0.000 0.420 801 V N 0.871 120.679 119.914 -0.176 0.000 2.295 801 V HA -0.307 3.808 4.120 -0.008 0.000 0.246 801 V C 2.208 178.289 176.094 -0.022 0.000 1.049 801 V CA 1.939 64.167 62.300 -0.121 0.000 1.024 801 V CB -0.579 31.199 31.823 -0.075 0.000 0.648 801 V HN 0.501 nan 8.190 nan 0.000 0.447 802 I N -0.569 120.011 120.570 0.016 0.000 2.264 802 I HA -0.265 3.901 4.170 -0.008 0.000 0.248 802 I C 2.688 178.859 176.117 0.090 0.000 1.111 802 I CA 1.561 62.919 61.300 0.096 0.000 1.382 802 I CB -0.403 37.703 38.000 0.176 0.000 1.060 802 I HN 0.221 nan 8.210 nan 0.000 0.418 803 R N 0.355 120.884 120.500 0.048 0.000 2.148 803 R HA -0.093 4.242 4.340 -0.008 0.000 0.227 803 R C 2.001 178.336 176.300 0.058 0.000 1.103 803 R CA 0.978 57.105 56.100 0.044 0.000 0.983 803 R CB -0.327 29.983 30.300 0.017 0.000 0.874 803 R HN 0.525 nan 8.270 nan 0.000 0.451 804 N N 0.624 119.354 118.700 0.049 0.000 2.148 804 N HA -0.061 4.674 4.740 -0.008 0.000 0.186 804 N C 1.943 177.517 175.510 0.106 0.000 1.031 804 N CA 1.027 54.129 53.050 0.088 0.000 0.848 804 N CB 0.020 38.531 38.487 0.040 0.000 1.005 804 N HN 0.114 nan 8.380 nan 0.000 0.427 805 I N 1.652 122.272 120.570 0.084 0.000 2.208 805 I HA -0.241 3.924 4.170 -0.008 0.000 0.245 805 I C 2.457 178.629 176.117 0.092 0.000 1.097 805 I CA 0.930 62.285 61.300 0.092 0.000 1.363 805 I CB -0.359 37.690 38.000 0.081 0.000 1.051 805 I HN 0.084 nan 8.210 nan 0.000 0.413 806 A N 0.362 123.235 122.820 0.088 0.000 2.070 806 A HA -0.174 4.141 4.320 -0.008 0.000 0.220 806 A C 2.066 179.688 177.584 0.064 0.000 1.159 806 A CA 2.108 54.186 52.037 0.069 0.000 0.656 806 A CB -0.876 18.166 19.000 0.070 0.000 0.800 806 A HN 0.549 nan 8.150 nan 0.000 0.453 807 T N -3.028 111.578 114.554 0.088 0.000 3.174 807 T HA 0.212 4.557 4.350 -0.008 0.000 0.269 807 T C 1.031 175.823 174.700 0.153 0.000 1.017 807 T CA 0.600 62.754 62.100 0.090 0.000 0.899 807 T CB -0.194 68.725 68.868 0.085 0.000 1.077 807 T HN 0.474 nan 8.240 nan 0.000 0.552 808 S N -0.137 115.672 115.700 0.183 0.000 2.575 808 S HA 0.278 4.744 4.470 -0.008 0.000 0.215 808 S C 2.178 176.904 174.600 0.210 0.000 0.966 808 S CA 0.211 58.601 58.200 0.316 0.000 0.911 808 S CB -0.515 62.847 63.200 0.270 0.000 0.780 808 S HN 0.516 nan 8.310 nan 0.000 0.514 809 G N 2.869 111.713 108.800 0.074 0.000 2.469 809 G HA2 -0.308 3.647 3.960 -0.008 0.000 0.219 809 G HA3 -0.308 3.647 3.960 -0.008 0.000 0.219 809 G C 1.317 176.159 174.900 -0.097 0.000 1.150 809 G CA 1.086 46.195 45.100 0.015 0.000 0.763 809 G HN 0.613 nan 8.290 nan 0.000 0.561 810 K N -0.095 120.122 120.400 -0.304 0.000 2.281 810 K HA -0.050 4.265 4.320 -0.008 0.000 0.203 810 K C 1.244 177.498 176.600 -0.577 0.000 1.046 810 K CA 0.794 56.766 56.287 -0.525 0.000 0.938 810 K CB -0.289 31.726 32.500 -0.809 0.000 0.737 810 K HN 0.414 nan 8.250 nan 0.000 0.458 811 F N 0.969 120.946 119.950 0.046 0.000 2.676 811 F HA 0.124 4.645 4.527 -0.009 0.000 0.300 811 F C 0.769 176.613 175.800 0.073 0.000 1.160 811 F CA -0.585 57.450 58.000 0.057 0.000 1.401 811 F CB 0.366 39.397 39.000 0.052 0.000 1.037 811 F HN -0.108 nan 8.300 nan 0.000 0.522 812 S N 0.213 115.990 115.700 0.129 0.000 2.545 812 S HA 0.105 4.570 4.470 -0.008 0.000 0.275 812 S C 1.398 176.076 174.600 0.130 0.000 1.299 812 S CA -0.305 57.971 58.200 0.126 0.000 1.048 812 S CB 0.931 64.175 63.200 0.074 0.000 0.938 812 S HN 0.324 nan 8.310 nan 0.000 0.496 813 S N 3.197 118.999 115.700 0.170 0.000 2.507 813 S HA -0.078 4.388 4.470 -0.008 0.000 0.235 813 S C 0.899 175.547 174.600 0.080 0.000 0.988 813 S CA 0.697 59.016 58.200 0.198 0.000 0.944 813 S CB -0.342 63.048 63.200 0.317 0.000 0.762 813 S HN 0.793 nan 8.310 nan 0.000 0.526 814 D N 1.747 122.180 120.400 0.054 0.000 2.144 814 D HA -0.057 4.578 4.640 -0.008 0.000 0.200 814 D C 2.101 178.400 176.300 -0.001 0.000 0.978 814 D CA 0.665 54.674 54.000 0.016 0.000 0.833 814 D CB -0.285 40.522 40.800 0.012 0.000 0.961 814 D HN 0.297 nan 8.370 nan 0.000 0.470 815 R N 0.902 121.404 120.500 0.005 0.000 2.075 815 R HA -0.067 4.268 4.340 -0.008 0.000 0.232 815 R C 1.828 178.117 176.300 -0.019 0.000 1.126 815 R CA 1.235 57.324 56.100 -0.018 0.000 0.963 815 R CB -0.739 29.538 30.300 -0.039 0.000 0.858 815 R HN 0.082 nan 8.270 nan 0.000 0.435 816 T N 2.293 116.858 114.554 0.018 0.000 2.652 816 T HA -0.116 4.230 4.350 -0.008 0.000 0.267 816 T C 1.920 176.619 174.700 -0.002 0.000 1.039 816 T CA 1.403 63.532 62.100 0.047 0.000 1.153 816 T CB -0.124 68.844 68.868 0.167 0.000 0.863 816 T HN 0.102 nan 8.240 nan 0.000 0.428 817 I N 1.626 122.111 120.570 -0.142 0.000 2.286 817 I HA -0.096 4.069 4.170 -0.008 0.000 0.248 817 I C 2.888 178.952 176.117 -0.089 0.000 1.115 817 I CA 0.952 62.129 61.300 -0.206 0.000 1.392 817 I CB -1.577 36.300 38.000 -0.204 0.000 1.065 817 I HN 0.194 nan 8.210 nan 0.000 0.418 818 A N 0.142 122.932 122.820 -0.051 0.000 1.972 818 A HA -0.222 4.093 4.320 -0.008 0.000 0.219 818 A C 2.239 179.779 177.584 -0.073 0.000 1.169 818 A CA 1.322 53.338 52.037 -0.035 0.000 0.635 818 A CB -0.499 18.487 19.000 -0.024 0.000 0.810 818 A HN 0.509 nan 8.150 nan 0.000 0.446 819 Q N -1.973 117.765 119.800 -0.102 0.000 2.123 819 Q HA -0.135 4.200 4.340 -0.008 0.000 0.199 819 Q C 1.866 177.701 176.000 -0.275 0.000 0.966 819 Q CA 1.456 57.161 55.803 -0.163 0.000 0.845 819 Q CB -0.261 28.372 28.738 -0.175 0.000 0.907 819 Q HN 0.822 nan 8.270 nan 0.000 0.439 820 Y N 0.582 120.592 120.300 -0.484 0.000 2.181 820 Y HA -0.252 4.293 4.550 -0.008 0.000 0.288 820 Y C 2.454 177.777 175.900 -0.962 0.000 1.146 820 Y CA 1.241 58.804 58.100 -0.894 0.000 1.164 820 Y CB -0.335 37.303 38.460 -1.369 0.000 0.982 820 Y HN 0.147 nan 8.280 nan 0.000 0.515 821 A N 0.337 122.929 122.820 -0.379 0.000 1.883 821 A HA -0.217 4.098 4.320 -0.008 0.000 0.217 821 A C 2.245 179.845 177.584 0.026 0.000 1.186 821 A CA 2.006 54.065 52.037 0.036 0.000 0.624 821 A CB -0.519 18.575 19.000 0.157 0.000 0.822 821 A HN 0.416 nan 8.150 nan 0.000 0.444 822 R N -0.566 119.909 120.500 -0.041 0.000 2.075 822 R HA -0.023 4.313 4.340 -0.008 0.000 0.226 822 R C 1.758 178.035 176.300 -0.039 0.000 1.114 822 R CA 1.400 57.488 56.100 -0.020 0.000 0.972 822 R CB -0.218 30.065 30.300 -0.028 0.000 0.869 822 R HN 0.660 nan 8.270 nan 0.000 0.437 823 E N -0.288 119.848 120.200 -0.106 0.000 2.447 823 E HA 0.082 4.427 4.350 -0.008 0.000 0.195 823 E C 1.367 177.913 176.600 -0.091 0.000 1.028 823 E CA 0.481 56.821 56.400 -0.100 0.000 0.876 823 E CB 0.496 30.110 29.700 -0.145 0.000 0.885 823 E HN 0.336 nan 8.360 nan 0.000 0.500 824 I N -1.295 119.193 120.570 -0.136 0.000 3.878 824 I HA 0.022 4.188 4.170 -0.008 0.000 0.273 824 I C 1.259 177.513 176.117 0.228 0.000 1.165 824 I CA -0.109 61.166 61.300 -0.042 0.000 1.360 824 I CB 0.252 38.082 38.000 -0.283 0.000 1.539 824 I HN 0.105 nan 8.210 nan 0.000 0.447 825 W N 1.679 123.072 121.300 0.155 0.000 2.658 825 W HA 0.317 4.972 4.660 -0.008 0.000 0.263 825 W C 1.465 178.023 176.519 0.065 0.000 1.274 825 W CA 0.887 58.306 57.345 0.122 0.000 1.343 825 W CB -1.067 28.452 29.460 0.098 0.000 1.106 825 W HN 0.322 nan 8.180 nan 0.000 0.615 826 G N 1.163 110.108 108.800 0.241 0.000 2.289 826 G HA2 -0.077 3.878 3.960 -0.008 0.000 0.280 826 G HA3 -0.077 3.878 3.960 -0.008 0.000 0.280 826 G C -0.384 174.591 174.900 0.125 0.000 1.089 826 G CA 0.186 45.368 45.100 0.137 0.000 0.939 826 G HN 0.462 nan 8.290 nan 0.000 0.499 827 V N -4.253 115.751 119.914 0.150 0.000 3.007 827 V HA 0.905 5.020 4.120 -0.008 0.000 0.311 827 V C -0.434 175.719 176.094 0.097 0.000 1.120 827 V CA -1.685 60.684 62.300 0.115 0.000 0.980 827 V CB 2.336 34.235 31.823 0.127 0.000 1.033 827 V HN 0.139 nan 8.190 nan 0.000 0.429 828 E N 4.013 124.254 120.200 0.068 0.000 2.174 828 E HA 0.496 4.841 4.350 -0.008 0.000 0.282 828 E C -2.460 174.175 176.600 0.058 0.000 0.992 828 E CA -1.770 54.663 56.400 0.055 0.000 0.803 828 E CB 1.714 31.438 29.700 0.041 0.000 1.090 828 E HN 0.771 nan 8.360 nan 0.000 0.396 829 P HA 0.076 nan 4.420 nan 0.000 0.272 829 P C -0.443 176.885 177.300 0.046 0.000 1.223 829 P CA -0.278 62.855 63.100 0.054 0.000 0.784 829 P CB 1.023 32.749 31.700 0.045 0.000 0.923 830 S N 0.975 116.705 115.700 0.049 0.000 2.538 830 S HA 0.367 4.832 4.470 -0.008 0.000 0.288 830 S C 0.530 175.155 174.600 0.041 0.000 1.108 830 S CA -0.752 57.476 58.200 0.047 0.000 0.971 830 S CB 1.106 64.341 63.200 0.059 0.000 1.041 830 S HN 0.296 nan 8.310 nan 0.000 0.483 831 R N 2.018 122.537 120.500 0.033 0.000 2.362 831 R HA 0.209 4.544 4.340 -0.008 0.000 0.227 831 R C -0.048 176.264 176.300 0.021 0.000 0.905 831 R CA 0.057 56.175 56.100 0.030 0.000 1.067 831 R CB 0.165 30.482 30.300 0.028 0.000 1.078 831 R HN 0.697 nan 8.270 nan 0.000 0.516 832 Q N 1.200 121.012 119.800 0.020 0.000 2.330 832 Q HA 0.053 4.389 4.340 -0.008 0.000 0.279 832 Q C -0.225 175.770 176.000 -0.009 0.000 1.024 832 Q CA 0.407 56.215 55.803 0.009 0.000 0.900 832 Q CB 0.717 29.465 28.738 0.017 0.000 1.221 832 Q HN -0.206 nan 8.270 nan 0.000 0.396 833 R N 1.380 121.866 120.500 -0.023 0.000 2.615 833 R HA 0.364 4.699 4.340 -0.008 0.000 0.270 833 R C -0.478 175.781 176.300 -0.067 0.000 1.081 833 R CA -0.092 55.981 56.100 -0.045 0.000 1.154 833 R CB 0.503 30.775 30.300 -0.047 0.000 1.063 833 R HN 0.491 nan 8.270 nan 0.000 0.519 834 L N 3.809 124.975 121.223 -0.095 0.000 2.331 834 L HA 0.499 4.834 4.340 -0.008 0.000 0.275 834 L C -1.884 174.926 176.870 -0.101 0.000 1.022 834 L CA -2.270 52.485 54.840 -0.143 0.000 0.812 834 L CB 1.910 43.844 42.059 -0.207 0.000 1.257 834 L HN 0.462 nan 8.230 nan 0.000 0.435 835 P HA 0.071 nan 4.420 nan 0.000 0.267 835 P C -0.673 176.596 177.300 -0.051 0.000 1.209 835 P CA -0.107 62.958 63.100 -0.058 0.000 0.763 835 P CB 1.044 32.717 31.700 -0.045 0.000 0.816 836 A N 0.000 122.798 122.820 -0.037 0.000 2.254 836 A HA 0.000 4.315 4.320 -0.008 0.000 0.244 836 A CA 0.000 52.023 52.037 -0.023 0.000 0.836 836 A CB 0.000 18.989 19.000 -0.019 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486