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 2qn9_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 XXXXXXXXXG DATA SEQUENCE YIQAVLDRNL AENISRVLYP NDNFFEGKEL RLKQEYFVVA ATLQDIIRRF DATA SEQUENCE KSSXXXXXXX XXTNFDAFPD KVAIQLNDTH PSLAIPELMR VLVDLERLDW DATA SEQUENCE DKAWEVTVKT CAYTNHTVIP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER 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 0.000 175.984 176.000 -0.027 0.000 1.003 12 Q CA 0.000 55.776 55.803 -0.046 0.000 1.022 12 Q CB 0.000 28.711 28.738 -0.045 0.000 1.108 13 I N 0.942 121.502 120.570 -0.017 0.000 2.562 13 I HA 0.673 4.839 4.170 -0.008 0.000 0.301 13 I C 1.349 177.467 176.117 0.002 0.000 1.003 13 I CA 0.070 61.368 61.300 -0.003 0.000 1.127 13 I CB 2.422 40.423 38.000 0.001 0.000 1.304 13 I HN 1.071 nan 8.210 nan 0.000 0.446 14 S N 5.148 120.855 115.700 0.011 0.000 2.343 14 S HA -0.181 4.284 4.470 -0.008 0.000 0.219 14 S C 1.787 176.397 174.600 0.018 0.000 1.033 14 S CA 1.525 59.733 58.200 0.014 0.000 1.014 14 S CB -1.300 61.913 63.200 0.022 0.000 0.915 14 S HN 0.918 nan 8.310 nan 0.000 0.435 15 V N 0.001 119.935 119.914 0.032 0.000 3.244 15 V HA 0.031 4.146 4.120 -0.008 0.000 0.273 15 V C 1.880 177.990 176.094 0.028 0.000 1.180 15 V CA 1.584 63.907 62.300 0.038 0.000 1.182 15 V CB -1.327 30.527 31.823 0.052 0.000 0.796 15 V HN 0.451 nan 8.190 nan 0.000 0.543 16 R N 1.098 121.605 120.500 0.011 0.000 2.388 16 R HA 0.451 4.786 4.340 -0.008 0.000 0.247 16 R C 1.134 177.424 176.300 -0.016 0.000 0.931 16 R CA 0.494 56.594 56.100 -0.001 0.000 1.082 16 R CB 0.158 30.454 30.300 -0.007 0.000 1.135 16 R HN 0.774 nan 8.270 nan 0.000 0.525 17 G N 0.925 109.715 108.800 -0.016 0.000 2.796 17 G HA2 -0.231 3.725 3.960 -0.008 0.000 0.571 17 G HA3 -0.231 3.725 3.960 -0.008 0.000 0.571 17 G C -0.725 174.159 174.900 -0.027 0.000 1.370 17 G CA -1.026 44.056 45.100 -0.031 0.000 0.856 17 G HN -0.003 nan 8.290 nan 0.000 0.538 18 L N 0.169 121.374 121.223 -0.030 0.000 2.379 18 L HA 0.692 5.027 4.340 -0.008 0.000 0.269 18 L C 1.188 178.043 176.870 -0.025 0.000 1.084 18 L CA 0.272 55.097 54.840 -0.024 0.000 0.802 18 L CB 1.097 43.143 42.059 -0.021 0.000 1.175 18 L HN 1.550 nan 8.230 nan 0.000 0.448 19 A N 1.802 124.611 122.820 -0.019 0.000 3.056 19 A HA 0.575 4.890 4.320 -0.008 0.000 0.328 19 A C 0.698 178.277 177.584 -0.008 0.000 1.233 19 A CA -0.350 51.678 52.037 -0.015 0.000 0.965 19 A CB -0.337 18.655 19.000 -0.014 0.000 1.123 19 A HN 0.805 nan 8.150 nan 0.000 0.502 20 G N -0.053 108.742 108.800 -0.008 0.000 2.559 20 G HA2 0.338 4.293 3.960 -0.008 0.000 0.235 20 G HA3 0.338 4.293 3.960 -0.008 0.000 0.235 20 G C 1.261 176.164 174.900 0.005 0.000 1.266 20 G CA 0.161 45.260 45.100 -0.002 0.000 0.847 20 G HN 1.290 nan 8.290 nan 0.000 0.583 21 V N 0.187 120.105 119.914 0.007 0.000 2.233 21 V HA -0.189 3.927 4.120 -0.008 0.000 0.247 21 V C 2.275 178.379 176.094 0.016 0.000 1.050 21 V CA 2.476 64.783 62.300 0.011 0.000 1.010 21 V CB -0.928 30.901 31.823 0.010 0.000 0.637 21 V HN 0.881 nan 8.190 nan 0.000 0.444 22 E N 0.500 120.710 120.200 0.017 0.000 2.427 22 E HA -0.163 4.183 4.350 -0.008 0.000 0.196 22 E C 1.837 178.456 176.600 0.033 0.000 1.028 22 E CA 1.259 57.673 56.400 0.023 0.000 0.864 22 E CB -0.516 29.197 29.700 0.021 0.000 0.813 22 E HN 0.685 nan 8.360 nan 0.000 0.514 23 N N 0.837 119.553 118.700 0.027 0.000 2.207 23 N HA -0.084 4.651 4.740 -0.008 0.000 0.182 23 N C 1.705 177.238 175.510 0.039 0.000 1.020 23 N CA 0.910 53.981 53.050 0.034 0.000 0.858 23 N CB 0.170 38.663 38.487 0.010 0.000 0.991 23 N HN 0.010 nan 8.380 nan 0.000 0.427 24 V N 0.038 119.967 119.914 0.025 0.000 2.427 24 V HA -0.186 3.930 4.120 -0.008 0.000 0.248 24 V C 1.992 178.106 176.094 0.034 0.000 1.051 24 V CA 1.893 64.208 62.300 0.025 0.000 1.048 24 V CB -0.889 30.944 31.823 0.017 0.000 0.666 24 V HN 0.408 nan 8.190 nan 0.000 0.456 25 T N -0.516 114.059 114.554 0.034 0.000 2.746 25 T HA -0.220 4.125 4.350 -0.008 0.000 0.267 25 T C 1.919 176.652 174.700 0.055 0.000 1.039 25 T CA 1.795 63.916 62.100 0.036 0.000 1.142 25 T CB -0.169 68.716 68.868 0.029 0.000 0.866 25 T HN 0.464 nan 8.240 nan 0.000 0.444 26 E N 1.039 121.279 120.200 0.067 0.000 2.047 26 E HA -0.003 4.342 4.350 -0.008 0.000 0.191 26 E C 2.067 178.744 176.600 0.128 0.000 0.987 26 E CA 0.898 57.352 56.400 0.090 0.000 0.799 26 E CB -0.530 29.231 29.700 0.102 0.000 0.752 26 E HN 0.431 nan 8.360 nan 0.000 0.449 27 L N 0.312 121.620 121.223 0.141 0.000 2.042 27 L HA -0.212 4.123 4.340 -0.008 0.000 0.210 27 L C 2.503 179.482 176.870 0.182 0.000 1.076 27 L CA 1.517 56.467 54.840 0.183 0.000 0.749 27 L CB -0.414 41.724 42.059 0.132 0.000 0.893 27 L HN 0.105 nan 8.230 nan 0.000 0.432 28 K N 0.575 121.042 120.400 0.110 0.000 2.026 28 K HA -0.227 4.088 4.320 -0.008 0.000 0.208 28 K C 2.147 178.850 176.600 0.172 0.000 1.048 28 K CA 1.908 58.254 56.287 0.100 0.000 0.929 28 K CB -0.140 32.376 32.500 0.028 0.000 0.713 28 K HN 0.386 nan 8.250 nan 0.000 0.439 29 K N 0.486 120.964 120.400 0.129 0.000 2.097 29 K HA -0.081 4.235 4.320 -0.008 0.000 0.205 29 K C 1.611 178.294 176.600 0.138 0.000 1.050 29 K CA 1.466 57.823 56.287 0.117 0.000 0.938 29 K CB -0.098 32.446 32.500 0.074 0.000 0.718 29 K HN -0.008 nan 8.250 nan 0.000 0.442 30 N N 0.206 119.001 118.700 0.158 0.000 2.331 30 N HA -0.105 4.630 4.740 -0.008 0.000 0.180 30 N C 1.532 177.186 175.510 0.241 0.000 1.019 30 N CA 0.920 54.055 53.050 0.141 0.000 0.881 30 N CB -0.212 38.369 38.487 0.156 0.000 0.972 30 N HN 0.239 nan 8.380 nan 0.000 0.435 31 F N 2.528 122.572 119.950 0.157 0.000 2.113 31 F HA -0.057 4.465 4.527 -0.007 0.000 0.297 31 F C 1.980 177.881 175.800 0.169 0.000 1.103 31 F CA 1.241 59.352 58.000 0.185 0.000 1.248 31 F CB -0.183 38.896 39.000 0.132 0.000 0.999 31 F HN -0.042 nan 8.300 nan 0.000 0.475 32 N N 0.503 119.408 118.700 0.340 0.000 2.244 32 N HA -0.176 4.559 4.740 -0.008 0.000 0.183 32 N C 2.026 177.592 175.510 0.094 0.000 1.016 32 N CA 1.054 54.223 53.050 0.197 0.000 0.866 32 N CB -0.501 38.095 38.487 0.182 0.000 0.980 32 N HN 0.390 nan 8.380 nan 0.000 0.430 33 R N 0.318 120.879 120.500 0.101 0.000 2.075 33 R HA -0.086 4.250 4.340 -0.008 0.000 0.232 33 R C 1.759 178.121 176.300 0.103 0.000 1.126 33 R CA 1.401 57.582 56.100 0.134 0.000 0.963 33 R CB -0.178 30.152 30.300 0.049 0.000 0.858 33 R HN 0.358 nan 8.270 nan 0.000 0.435 34 H N -0.421 118.681 119.070 0.054 0.000 2.389 34 H HA -0.108 4.443 4.556 -0.008 0.000 0.299 34 H C 1.863 177.122 175.328 -0.116 0.000 1.081 34 H CA 1.383 57.404 56.048 -0.046 0.000 1.345 34 H CB 0.108 29.813 29.762 -0.096 0.000 1.393 34 H HN 0.124 nan 8.280 nan 0.000 0.520 35 L N -0.025 121.171 121.223 -0.045 0.000 2.083 35 L HA -0.185 4.150 4.340 -0.008 0.000 0.209 35 L C 2.131 178.969 176.870 -0.053 0.000 1.083 35 L CA 1.811 56.593 54.840 -0.095 0.000 0.752 35 L CB -0.389 41.607 42.059 -0.105 0.000 0.899 35 L HN 0.297 nan 8.230 nan 0.000 0.433 36 H N -1.755 117.217 119.070 -0.162 0.000 2.273 36 H HA -0.030 4.521 4.556 -0.008 0.000 0.311 36 H C 1.802 176.918 175.328 -0.353 0.000 1.057 36 H CA 2.176 58.035 56.048 -0.314 0.000 1.360 36 H CB -0.296 29.168 29.762 -0.497 0.000 1.414 36 H HN 0.261 nan 8.280 nan 0.000 0.516 37 F N -0.207 119.722 119.950 -0.035 0.000 2.206 37 F HA -0.050 4.473 4.527 -0.008 0.000 0.298 37 F C 2.618 178.342 175.800 -0.128 0.000 1.090 37 F CA 1.489 59.424 58.000 -0.109 0.000 1.323 37 F CB -0.553 38.417 39.000 -0.050 0.000 1.028 37 F HN 0.189 nan 8.300 nan 0.000 0.492 38 T N -0.282 114.307 114.554 0.057 0.000 2.852 38 T HA 0.002 4.348 4.350 -0.008 0.000 0.256 38 T C 1.715 176.323 174.700 -0.153 0.000 1.038 38 T CA 0.751 62.811 62.100 -0.066 0.000 1.141 38 T CB -0.235 68.564 68.868 -0.115 0.000 0.869 38 T HN -0.054 nan 8.240 nan 0.000 0.439 39 L N 1.012 122.145 121.223 -0.150 0.000 2.509 39 L HA 0.275 4.610 4.340 -0.008 0.000 0.222 39 L C 0.631 177.406 176.870 -0.158 0.000 1.123 39 L CA 0.286 55.027 54.840 -0.164 0.000 0.856 39 L CB -0.714 41.258 42.059 -0.145 0.000 0.985 39 L HN 0.037 nan 8.230 nan 0.000 0.456 40 V N 0.273 120.079 119.914 -0.181 0.000 6.125 40 V HA -0.282 3.833 4.120 -0.008 0.000 0.281 40 V C 0.398 176.378 176.094 -0.189 0.000 0.591 40 V CA 0.801 62.965 62.300 -0.226 0.000 0.617 40 V CB -1.948 29.772 31.823 -0.173 0.000 0.336 40 V HN 0.382 nan 8.190 nan 0.000 0.650 41 K N 1.479 121.773 120.400 -0.177 0.000 2.480 41 K HA 0.688 5.004 4.320 -0.008 0.000 0.258 41 K C -0.641 175.928 176.600 -0.052 0.000 0.990 41 K CA -0.557 55.663 56.287 -0.112 0.000 0.857 41 K CB 2.860 35.295 32.500 -0.109 0.000 1.384 41 K HN 0.621 nan 8.250 nan 0.000 0.446 42 D N 0.220 120.606 120.400 -0.023 0.000 2.780 42 D HA 0.194 4.830 4.640 -0.008 0.000 0.242 42 D C 0.571 176.896 176.300 0.041 0.000 1.135 42 D CA -0.501 53.517 54.000 0.030 0.000 0.859 42 D CB 1.913 42.732 40.800 0.032 0.000 1.530 42 D HN 0.245 nan 8.370 nan 0.000 0.493 43 R N 2.045 122.602 120.500 0.094 0.000 2.265 43 R HA -0.221 4.114 4.340 -0.008 0.000 0.268 43 R C 1.148 177.521 176.300 0.121 0.000 1.178 43 R CA 1.788 57.982 56.100 0.157 0.000 1.005 43 R CB -0.577 29.811 30.300 0.147 0.000 0.891 43 R HN 0.520 nan 8.270 nan 0.000 0.472 44 N N -0.833 117.908 118.700 0.067 0.000 2.494 44 N HA -0.056 4.679 4.740 -0.008 0.000 0.182 44 N C 1.039 176.568 175.510 0.032 0.000 1.076 44 N CA 1.389 54.470 53.050 0.050 0.000 0.908 44 N CB 0.512 39.018 38.487 0.032 0.000 0.967 44 N HN 0.364 nan 8.380 nan 0.000 0.449 45 V N -3.597 116.323 119.914 0.011 0.000 3.398 45 V HA 0.538 4.653 4.120 -0.008 0.000 0.298 45 V C 0.615 176.675 176.094 -0.057 0.000 1.496 45 V CA -0.608 61.684 62.300 -0.014 0.000 1.044 45 V CB -0.130 31.681 31.823 -0.020 0.000 0.880 45 V HN 0.011 nan 8.190 nan 0.000 0.443 46 A N 1.992 124.755 122.820 -0.095 0.000 2.425 46 A HA 0.659 4.974 4.320 -0.008 0.000 0.249 46 A C 0.689 178.079 177.584 -0.323 0.000 1.084 46 A CA 0.754 52.622 52.037 -0.282 0.000 0.781 46 A CB 0.145 18.860 19.000 -0.476 0.000 1.019 46 A HN 0.888 nan 8.150 nan 0.000 0.490 47 T N -0.341 114.020 114.554 -0.321 0.000 2.938 47 T HA 0.594 4.940 4.350 -0.008 0.000 0.285 47 T C -2.183 172.415 174.700 -0.169 0.000 1.028 47 T CA -1.740 60.264 62.100 -0.160 0.000 1.005 47 T CB 1.239 70.072 68.868 -0.058 0.000 1.157 47 T HN 0.224 nan 8.240 nan 0.000 0.550 48 P HA -0.081 nan 4.420 nan 0.000 0.216 48 P C 1.641 179.048 177.300 0.178 0.000 1.150 48 P CA 0.996 64.223 63.100 0.213 0.000 0.843 48 P CB 0.038 31.834 31.700 0.160 0.000 0.787 49 R N 0.029 120.585 120.500 0.094 0.000 2.081 49 R HA -0.153 4.183 4.340 -0.008 0.000 0.235 49 R C 1.691 178.168 176.300 0.295 0.000 1.131 49 R CA 1.895 58.095 56.100 0.168 0.000 0.960 49 R CB -0.749 29.585 30.300 0.055 0.000 0.856 49 R HN 0.097 nan 8.270 nan 0.000 0.436 50 D N -0.351 120.099 120.400 0.082 0.000 2.117 50 D HA -0.192 4.443 4.640 -0.008 0.000 0.197 50 D C 1.753 178.083 176.300 0.050 0.000 0.987 50 D CA 1.336 55.341 54.000 0.008 0.000 0.829 50 D CB -0.323 40.332 40.800 -0.242 0.000 0.961 50 D HN 0.314 nan 8.370 nan 0.000 0.460 51 Y N 0.054 120.463 120.300 0.182 0.000 2.242 51 Y HA -0.197 4.348 4.550 -0.008 0.000 0.291 51 Y C 2.310 178.352 175.900 0.235 0.000 1.137 51 Y CA 0.252 58.499 58.100 0.245 0.000 1.181 51 Y CB -1.126 37.537 38.460 0.338 0.000 0.989 51 Y HN 0.090 nan 8.280 nan 0.000 0.527 52 Y N -0.439 120.013 120.300 0.254 0.000 2.128 52 Y HA -0.283 4.262 4.550 -0.008 0.000 0.284 52 Y C 1.970 177.854 175.900 -0.026 0.000 1.154 52 Y CA 1.295 59.442 58.100 0.079 0.000 1.149 52 Y CB -1.157 37.249 38.460 -0.090 0.000 0.976 52 Y HN 0.041 nan 8.280 nan 0.000 0.505 53 F N 0.260 119.987 119.950 -0.371 0.000 2.171 53 F HA -0.139 4.384 4.527 -0.007 0.000 0.300 53 F C 2.645 178.291 175.800 -0.257 0.000 1.090 53 F CA 1.341 59.073 58.000 -0.447 0.000 1.293 53 F CB -0.873 38.051 39.000 -0.126 0.000 1.013 53 F HN 0.209 nan 8.300 nan 0.000 0.486 54 A N -0.104 122.684 122.820 -0.054 0.000 1.877 54 A HA -0.186 4.129 4.320 -0.008 0.000 0.216 54 A C 2.077 179.585 177.584 -0.127 0.000 1.186 54 A CA 1.626 53.518 52.037 -0.243 0.000 0.620 54 A CB -1.059 17.452 19.000 -0.815 0.000 0.822 54 A HN 0.337 nan 8.150 nan 0.000 0.443 55 L N -0.190 121.078 121.223 0.074 0.000 2.017 55 L HA -0.051 4.285 4.340 -0.008 0.000 0.208 55 L C 2.696 179.570 176.870 0.006 0.000 1.073 55 L CA 2.227 57.218 54.840 0.251 0.000 0.745 55 L CB -0.973 41.274 42.059 0.314 0.000 0.894 55 L HN 0.356 nan 8.230 nan 0.000 0.432 56 A N -1.161 121.480 122.820 -0.298 0.000 1.883 56 A HA -0.304 4.011 4.320 -0.008 0.000 0.217 56 A C 2.159 179.398 177.584 -0.574 0.000 1.186 56 A CA 2.141 53.871 52.037 -0.512 0.000 0.624 56 A CB -1.173 17.179 19.000 -1.079 0.000 0.822 56 A HN 0.691 nan 8.150 nan 0.000 0.444 57 H N -0.929 117.836 119.070 -0.509 0.000 2.423 57 H HA -0.045 4.506 4.556 -0.008 0.000 0.297 57 H C 2.303 177.377 175.328 -0.423 0.000 1.075 57 H CA 1.844 57.516 56.048 -0.627 0.000 1.342 57 H CB -0.125 28.988 29.762 -1.081 0.000 1.395 57 H HN 0.474 nan 8.280 nan 0.000 0.530 58 T N -0.423 114.102 114.554 -0.049 0.000 2.737 58 T HA -0.118 4.228 4.350 -0.008 0.000 0.265 58 T C 2.246 177.112 174.700 0.277 0.000 1.038 58 T CA 1.312 63.555 62.100 0.238 0.000 1.144 58 T CB -0.331 68.741 68.868 0.341 0.000 0.866 58 T HN 0.103 nan 8.240 nan 0.000 0.434 59 V N 1.632 121.686 119.914 0.234 0.000 2.427 59 V HA -0.110 4.006 4.120 -0.008 0.000 0.248 59 V C 2.593 178.873 176.094 0.310 0.000 1.051 59 V CA 1.547 64.033 62.300 0.310 0.000 1.048 59 V CB -0.646 31.353 31.823 0.294 0.000 0.666 59 V HN 0.375 nan 8.190 nan 0.000 0.456 60 R N 0.326 120.951 120.500 0.209 0.000 2.091 60 R HA -0.220 4.116 4.340 -0.008 0.000 0.238 60 R C 1.973 178.372 176.300 0.166 0.000 1.136 60 R CA 2.116 58.333 56.100 0.196 0.000 0.959 60 R CB -0.445 29.823 30.300 -0.055 0.000 0.856 60 R HN 0.457 nan 8.270 nan 0.000 0.437 61 D N 0.025 120.502 120.400 0.127 0.000 2.133 61 D HA -0.190 4.445 4.640 -0.008 0.000 0.195 61 D C 1.783 178.085 176.300 0.003 0.000 0.997 61 D CA 1.236 55.276 54.000 0.067 0.000 0.840 61 D CB -0.438 40.381 40.800 0.031 0.000 0.947 61 D HN 0.460 nan 8.370 nan 0.000 0.452 62 H N -0.264 118.875 119.070 0.115 0.000 2.491 62 H HA 0.022 4.573 4.556 -0.007 0.000 0.290 62 H C 2.295 177.669 175.328 0.077 0.000 1.050 62 H CA 0.413 56.512 56.048 0.085 0.000 1.309 62 H CB 0.167 29.971 29.762 0.069 0.000 1.392 62 H HN 0.212 nan 8.280 nan 0.000 0.554 63 L N -0.179 121.158 121.223 0.190 0.000 2.131 63 L HA -0.110 4.225 4.340 -0.008 0.000 0.206 63 L C 2.551 179.534 176.870 0.188 0.000 1.087 63 L CA 0.244 55.163 54.840 0.131 0.000 0.767 63 L CB -0.149 41.954 42.059 0.073 0.000 0.917 63 L HN 0.021 nan 8.230 nan 0.000 0.441 64 V N 0.469 120.517 119.914 0.224 0.000 2.231 64 V HA -0.342 3.774 4.120 -0.008 0.000 0.250 64 V C 2.625 178.839 176.094 0.199 0.000 1.058 64 V CA 2.319 64.779 62.300 0.268 0.000 1.022 64 V CB -1.583 30.347 31.823 0.179 0.000 0.640 64 V HN 0.602 nan 8.190 nan 0.000 0.445 65 G N -0.416 108.456 108.800 0.120 0.000 2.476 65 G HA2 -0.279 3.677 3.960 -0.008 0.000 0.218 65 G HA3 -0.279 3.677 3.960 -0.008 0.000 0.218 65 G C 1.716 176.668 174.900 0.087 0.000 1.164 65 G CA 1.065 46.212 45.100 0.078 0.000 0.768 65 G HN 0.495 nan 8.290 nan 0.000 0.560 66 R N -1.468 119.094 120.500 0.102 0.000 2.092 66 R HA -0.079 4.257 4.340 -0.008 0.000 0.231 66 R C 2.283 178.671 176.300 0.146 0.000 1.119 66 R CA 1.159 57.307 56.100 0.081 0.000 0.970 66 R CB -0.375 29.957 30.300 0.053 0.000 0.864 66 R HN 0.486 nan 8.270 nan 0.000 0.440 67 W N 1.721 123.008 121.300 -0.023 0.000 2.355 67 W HA -0.071 4.584 4.660 -0.007 0.000 0.309 67 W C 1.730 178.228 176.519 -0.036 0.000 1.206 67 W CA 0.890 58.219 57.345 -0.027 0.000 1.284 67 W CB -0.574 28.889 29.460 0.005 0.000 1.145 67 W HN -0.046 nan 8.180 nan 0.000 0.502 68 I N 1.052 121.683 120.570 0.101 0.000 2.226 68 I HA -0.334 3.832 4.170 -0.008 0.000 0.245 68 I C 2.597 178.696 176.117 -0.029 0.000 1.100 68 I CA 1.929 63.199 61.300 -0.049 0.000 1.374 68 I CB -0.571 37.405 38.000 -0.040 0.000 1.057 68 I HN -0.006 nan 8.210 nan 0.000 0.413 69 R N 0.053 120.553 120.500 -0.001 0.000 2.153 69 R HA -0.006 4.329 4.340 -0.008 0.000 0.218 69 R C 1.925 178.190 176.300 -0.059 0.000 1.072 69 R CA 1.266 57.355 56.100 -0.018 0.000 0.990 69 R CB -1.063 29.227 30.300 -0.015 0.000 0.889 69 R HN 0.179 nan 8.270 nan 0.000 0.452 70 T N 1.633 116.133 114.554 -0.090 0.000 2.737 70 T HA -0.094 4.252 4.350 -0.008 0.000 0.265 70 T C 1.806 176.231 174.700 -0.459 0.000 1.038 70 T CA 1.248 63.185 62.100 -0.271 0.000 1.144 70 T CB -0.090 68.664 68.868 -0.190 0.000 0.866 70 T HN 0.213 nan 8.240 nan 0.000 0.434 71 Q N 0.850 120.530 119.800 -0.201 0.000 2.124 71 Q HA -0.087 4.248 4.340 -0.008 0.000 0.202 71 Q C 2.338 178.342 176.000 0.007 0.000 0.977 71 Q CA 1.272 57.029 55.803 -0.076 0.000 0.850 71 Q CB -0.517 28.211 28.738 -0.015 0.000 0.901 71 Q HN 0.487 nan 8.270 nan 0.000 0.429 72 Q N 0.151 119.949 119.800 -0.003 0.000 2.119 72 Q HA -0.181 4.154 4.340 -0.008 0.000 0.201 72 Q C 1.890 177.975 176.000 0.141 0.000 0.972 72 Q CA 1.871 57.719 55.803 0.075 0.000 0.847 72 Q CB -0.380 28.384 28.738 0.043 0.000 0.903 72 Q HN 0.542 nan 8.270 nan 0.000 0.433 73 H N -0.884 118.153 119.070 -0.055 0.000 2.352 73 H HA -0.167 4.385 4.556 -0.008 0.000 0.299 73 H C 1.107 176.496 175.328 0.101 0.000 1.097 73 H CA 2.223 58.251 56.048 -0.034 0.000 1.311 73 H CB -0.319 29.352 29.762 -0.151 0.000 1.377 73 H HN 0.356 nan 8.280 nan 0.000 0.504 74 Y N -1.047 119.276 120.300 0.039 0.000 2.274 74 Y HA -0.178 4.368 4.550 -0.008 0.000 0.290 74 Y C 2.406 178.321 175.900 0.025 0.000 1.145 74 Y CA 1.021 59.111 58.100 -0.017 0.000 1.203 74 Y CB -1.330 37.187 38.460 0.096 0.000 0.984 74 Y HN 0.361 nan 8.280 nan 0.000 0.533 75 Y N 1.112 121.487 120.300 0.125 0.000 2.242 75 Y HA -0.173 4.372 4.550 -0.008 0.000 0.291 75 Y C 1.973 177.880 175.900 0.012 0.000 1.137 75 Y CA 1.711 59.849 58.100 0.063 0.000 1.181 75 Y CB -0.212 38.275 38.460 0.046 0.000 0.989 75 Y HN 0.201 nan 8.280 nan 0.000 0.527 76 E N -0.490 119.685 120.200 -0.043 0.000 2.051 76 E HA -0.135 4.210 4.350 -0.008 0.000 0.189 76 E C 2.052 178.551 176.600 -0.168 0.000 0.979 76 E CA 0.881 57.198 56.400 -0.139 0.000 0.803 76 E CB -0.002 29.691 29.700 -0.013 0.000 0.761 76 E HN 0.199 nan 8.360 nan 0.000 0.451 77 K N 0.787 121.070 120.400 -0.196 0.000 2.155 77 K HA -0.096 4.219 4.320 -0.008 0.000 0.203 77 K C 0.222 176.749 176.600 -0.122 0.000 1.052 77 K CA 0.765 56.941 56.287 -0.184 0.000 0.948 77 K CB -0.358 31.959 32.500 -0.305 0.000 0.728 77 K HN 0.070 nan 8.250 nan 0.000 0.448 78 D N 0.305 120.645 120.400 -0.100 0.000 2.746 78 D HA -0.105 4.530 4.640 -0.008 0.000 0.241 78 D C -2.392 173.875 176.300 -0.055 0.000 1.140 78 D CA 0.111 54.067 54.000 -0.073 0.000 0.707 78 D CB -0.207 40.523 40.800 -0.116 0.000 1.034 78 D HN 0.168 nan 8.370 nan 0.000 0.423 79 P HA 0.136 nan 4.420 nan 0.000 0.279 79 P C -0.222 177.036 177.300 -0.070 0.000 1.276 79 P CA -0.697 62.364 63.100 -0.065 0.000 0.801 79 P CB 0.692 32.340 31.700 -0.086 0.000 1.127 80 K N 1.091 121.454 120.400 -0.061 0.000 2.412 80 K HA 0.059 4.375 4.320 -0.008 0.000 0.281 80 K C 0.128 176.652 176.600 -0.126 0.000 1.027 80 K CA -0.082 56.166 56.287 -0.066 0.000 0.989 80 K CB 0.298 32.776 32.500 -0.037 0.000 0.935 80 K HN 0.321 nan 8.250 nan 0.000 0.475 81 R N 4.579 124.995 120.500 -0.140 0.000 2.346 81 R HA 0.347 4.682 4.340 -0.008 0.000 0.311 81 R C -0.332 175.720 176.300 -0.412 0.000 0.983 81 R CA -0.906 55.040 56.100 -0.256 0.000 0.880 81 R CB 0.879 31.067 30.300 -0.187 0.000 1.100 81 R HN 0.487 nan 8.270 nan 0.000 0.453 82 I N 3.984 124.255 120.570 -0.498 0.000 2.321 82 I HA 0.218 4.383 4.170 -0.008 0.000 0.291 82 I C -0.478 175.328 176.117 -0.517 0.000 0.998 82 I CA -0.863 60.091 61.300 -0.578 0.000 1.227 82 I CB 0.464 38.021 38.000 -0.737 0.000 1.368 82 I HN 0.475 nan 8.210 nan 0.000 0.466 83 Y N 6.072 126.330 120.300 -0.070 0.000 2.356 83 Y HA 0.269 4.814 4.550 -0.007 0.000 0.334 83 Y C -0.236 175.754 175.900 0.151 0.000 0.958 83 Y CA -0.709 57.469 58.100 0.130 0.000 1.196 83 Y CB 1.069 39.559 38.460 0.051 0.000 1.137 83 Y HN 0.390 nan 8.280 nan 0.000 0.485 84 Y N 4.617 125.091 120.300 0.289 0.000 2.518 84 Y HA 0.450 4.995 4.550 -0.007 0.000 0.344 84 Y C -1.163 174.998 175.900 0.434 0.000 0.982 84 Y CA -0.935 57.347 58.100 0.304 0.000 1.234 84 Y CB 0.220 38.865 38.460 0.309 0.000 1.114 84 Y HN 0.499 nan 8.280 nan 0.000 0.515 85 L N 4.902 126.180 121.223 0.091 0.000 2.281 85 L HA 0.464 4.800 4.340 -0.008 0.000 0.285 85 L C -0.118 176.788 176.870 0.061 0.000 1.074 85 L CA 0.189 55.142 54.840 0.188 0.000 0.817 85 L CB 1.220 43.352 42.059 0.122 0.000 1.168 85 L HN 0.572 nan 8.230 nan 0.000 0.434 86 S N 2.425 118.257 115.700 0.220 0.000 2.537 86 S HA 0.515 4.980 4.470 -0.008 0.000 0.270 86 S C 0.100 174.824 174.600 0.205 0.000 1.142 86 S CA -0.511 57.726 58.200 0.063 0.000 0.870 86 S CB 0.992 64.020 63.200 -0.288 0.000 1.112 86 S HN 0.435 nan 8.310 nan 0.000 0.466 87 L N 2.705 124.071 121.223 0.238 0.000 2.592 87 L HA 0.475 4.811 4.340 -0.008 0.000 0.227 87 L C 0.237 177.324 176.870 0.362 0.000 1.127 87 L CA 0.888 55.935 54.840 0.344 0.000 0.884 87 L CB -0.111 42.165 42.059 0.362 0.000 1.065 87 L HN 0.639 nan 8.230 nan 0.000 0.457 88 E N -1.169 119.117 120.200 0.143 0.000 2.290 88 E HA 0.408 4.754 4.350 -0.008 0.000 0.274 88 E C -1.395 175.090 176.600 -0.192 0.000 0.889 88 E CA -0.423 56.038 56.400 0.101 0.000 0.760 88 E CB 1.901 31.635 29.700 0.057 0.000 1.206 88 E HN -0.167 nan 8.360 nan 0.000 0.419 89 F N 2.186 122.242 119.950 0.176 0.000 2.771 89 F HA 0.174 4.696 4.527 -0.008 0.000 0.365 89 F C -0.859 175.024 175.800 0.138 0.000 1.169 89 F CA -0.735 57.356 58.000 0.152 0.000 1.093 89 F CB 0.933 40.014 39.000 0.136 0.000 1.363 89 F HN 0.491 nan 8.300 nan 0.000 0.496 90 Y N 5.177 125.543 120.300 0.111 0.000 2.632 90 Y HA 0.194 4.740 4.550 -0.007 0.000 0.336 90 Y C 1.058 176.979 175.900 0.035 0.000 1.237 90 Y CA -0.965 57.156 58.100 0.036 0.000 1.595 90 Y CB 0.280 38.742 38.460 0.004 0.000 1.508 90 Y HN 0.532 nan 8.280 nan 0.000 0.480 91 M N 1.325 121.069 119.600 0.240 0.000 2.254 91 M HA 0.097 4.572 4.480 -0.008 0.000 0.265 91 M C 1.587 177.877 176.300 -0.016 0.000 1.066 91 M CA 1.140 56.489 55.300 0.081 0.000 1.123 91 M CB -1.283 31.340 32.600 0.037 0.000 1.388 91 M HN 0.673 nan 8.290 nan 0.000 0.425 92 G N 1.041 109.848 108.800 0.012 0.000 2.553 92 G HA2 -0.263 3.693 3.960 -0.008 0.000 0.242 92 G HA3 -0.263 3.693 3.960 -0.008 0.000 0.242 92 G C -0.295 174.570 174.900 -0.059 0.000 1.277 92 G CA -0.316 44.747 45.100 -0.061 0.000 0.910 92 G HN 0.436 nan 8.290 nan 0.000 0.576 93 R N -0.708 119.736 120.500 -0.095 0.000 2.560 93 R HA 0.583 4.918 4.340 -0.008 0.000 0.270 93 R C 1.093 177.279 176.300 -0.190 0.000 1.074 93 R CA 0.286 56.337 56.100 -0.081 0.000 1.140 93 R CB 0.711 30.971 30.300 -0.068 0.000 1.073 93 R HN 0.528 nan 8.270 nan 0.000 0.527 94 T N 1.022 115.407 114.554 -0.281 0.000 2.978 94 T HA -0.009 4.336 4.350 -0.008 0.000 0.248 94 T C 1.466 175.767 174.700 -0.664 0.000 1.018 94 T CA -0.153 61.566 62.100 -0.635 0.000 1.026 94 T CB 0.115 68.214 68.868 -1.281 0.000 1.032 94 T HN 0.314 nan 8.240 nan 0.000 0.485 95 L N 1.998 123.051 121.223 -0.283 0.000 1.956 95 L HA -0.096 4.239 4.340 -0.008 0.000 0.216 95 L C 2.478 179.309 176.870 -0.065 0.000 1.073 95 L CA 2.041 56.875 54.840 -0.010 0.000 0.762 95 L CB -0.684 41.586 42.059 0.353 0.000 0.889 95 L HN 0.188 nan 8.230 nan 0.000 0.433 96 Q N -0.845 118.920 119.800 -0.058 0.000 2.124 96 Q HA -0.251 4.085 4.340 -0.008 0.000 0.202 96 Q C 2.218 178.148 176.000 -0.117 0.000 0.977 96 Q CA 1.801 57.565 55.803 -0.066 0.000 0.850 96 Q CB -0.312 28.386 28.738 -0.067 0.000 0.901 96 Q HN 0.704 nan 8.270 nan 0.000 0.429 97 N N -0.958 117.632 118.700 -0.182 0.000 2.166 97 N HA -0.139 4.596 4.740 -0.008 0.000 0.186 97 N C 1.291 176.695 175.510 -0.178 0.000 1.019 97 N CA 1.717 54.650 53.050 -0.195 0.000 0.856 97 N CB 0.098 38.435 38.487 -0.249 0.000 0.993 97 N HN 0.216 nan 8.380 nan 0.000 0.426 98 T N 1.181 115.596 114.554 -0.231 0.000 2.777 98 T HA -0.023 4.322 4.350 -0.008 0.000 0.266 98 T C 2.071 176.710 174.700 -0.101 0.000 1.040 98 T CA 0.960 62.941 62.100 -0.198 0.000 1.141 98 T CB -0.045 68.660 68.868 -0.271 0.000 0.868 98 T HN 0.253 nan 8.240 nan 0.000 0.444 99 M N 0.638 120.196 119.600 -0.071 0.000 2.117 99 M HA -0.086 4.389 4.480 -0.008 0.000 0.262 99 M C 2.468 178.735 176.300 -0.054 0.000 1.065 99 M CA 1.228 56.500 55.300 -0.046 0.000 1.114 99 M CB -0.661 31.927 32.600 -0.019 0.000 1.361 99 M HN 0.096 nan 8.290 nan 0.000 0.408 100 V N 0.973 120.860 119.914 -0.045 0.000 2.255 100 V HA -0.279 3.837 4.120 -0.008 0.000 0.247 100 V C 1.760 177.858 176.094 0.007 0.000 1.051 100 V CA 2.043 64.341 62.300 -0.004 0.000 1.018 100 V CB -0.896 30.930 31.823 0.005 0.000 0.641 100 V HN 0.470 nan 8.190 nan 0.000 0.445 101 N N -0.345 118.349 118.700 -0.010 0.000 2.453 101 N HA -0.060 4.675 4.740 -0.008 0.000 0.183 101 N C 1.028 176.439 175.510 -0.164 0.000 1.041 101 N CA 0.761 53.783 53.050 -0.047 0.000 0.900 101 N CB -0.117 38.354 38.487 -0.026 0.000 0.961 101 N HN 0.299 nan 8.380 nan 0.000 0.443 102 L N -0.487 120.659 121.223 -0.129 0.000 2.693 102 L HA 0.413 4.749 4.340 -0.008 0.000 0.235 102 L C 0.596 177.380 176.870 -0.143 0.000 1.127 102 L CA -0.199 54.563 54.840 -0.130 0.000 0.914 102 L CB -0.549 41.457 42.059 -0.088 0.000 1.193 102 L HN 0.076 nan 8.230 nan 0.000 0.502 103 A N -0.507 122.227 122.820 -0.144 0.000 2.822 103 A HA -0.221 4.095 4.320 -0.008 0.000 0.287 103 A C 1.020 178.545 177.584 -0.100 0.000 1.479 103 A CA 1.003 52.968 52.037 -0.120 0.000 0.779 103 A CB -1.951 16.964 19.000 -0.142 0.000 1.022 103 A HN 0.224 nan 8.150 nan 0.000 0.532 104 L N -0.898 120.267 121.223 -0.096 0.000 2.693 104 L HA 0.251 4.587 4.340 -0.008 0.000 0.235 104 L C 1.812 178.647 176.870 -0.058 0.000 1.127 104 L CA 1.410 56.190 54.840 -0.100 0.000 0.914 104 L CB -0.196 41.777 42.059 -0.144 0.000 1.193 104 L HN 0.609 nan 8.230 nan 0.000 0.502 105 E N 0.038 120.212 120.200 -0.042 0.000 2.049 105 E HA -0.254 4.091 4.350 -0.008 0.000 0.198 105 E C 1.588 178.176 176.600 -0.020 0.000 1.007 105 E CA 1.573 57.959 56.400 -0.023 0.000 0.809 105 E CB 0.229 29.918 29.700 -0.019 0.000 0.749 105 E HN 0.416 nan 8.360 nan 0.000 0.450 106 N N -0.074 118.610 118.700 -0.026 0.000 2.188 106 N HA -0.116 4.619 4.740 -0.008 0.000 0.184 106 N C 1.542 177.039 175.510 -0.023 0.000 1.018 106 N CA 1.174 54.209 53.050 -0.025 0.000 0.858 106 N CB -0.347 38.124 38.487 -0.026 0.000 0.989 106 N HN 0.227 nan 8.380 nan 0.000 0.426 107 A N 0.467 123.271 122.820 -0.027 0.000 1.877 107 A HA -0.143 4.173 4.320 -0.008 0.000 0.216 107 A C 2.657 180.234 177.584 -0.012 0.000 1.186 107 A CA 1.348 53.372 52.037 -0.022 0.000 0.620 107 A CB -1.019 17.958 19.000 -0.038 0.000 0.822 107 A HN 0.436 nan 8.150 nan 0.000 0.443 108 C N -0.782 118.511 119.300 -0.011 0.000 2.440 108 C HA -0.065 4.391 4.460 -0.008 0.000 0.278 108 C C 2.460 177.450 174.990 0.001 0.000 1.295 108 C CA 1.161 60.182 59.018 0.005 0.000 1.738 108 C CB -1.162 26.593 27.740 0.026 0.000 1.987 108 C HN 0.741 nan 8.230 nan 0.000 0.492 109 D N 0.748 121.148 120.400 0.001 0.000 2.117 109 D HA -0.148 4.487 4.640 -0.008 0.000 0.197 109 D C 2.113 178.427 176.300 0.024 0.000 0.987 109 D CA 1.559 55.563 54.000 0.006 0.000 0.829 109 D CB -0.206 40.587 40.800 -0.012 0.000 0.961 109 D HN 0.472 nan 8.370 nan 0.000 0.460 110 E N 0.140 120.350 120.200 0.016 0.000 2.047 110 E HA -0.032 4.314 4.350 -0.008 0.000 0.191 110 E C 1.916 178.556 176.600 0.067 0.000 0.987 110 E CA 1.575 58.008 56.400 0.055 0.000 0.799 110 E CB -0.659 29.056 29.700 0.025 0.000 0.752 110 E HN 0.220 nan 8.360 nan 0.000 0.449 111 A N -0.007 122.817 122.820 0.006 0.000 1.892 111 A HA -0.241 4.074 4.320 -0.008 0.000 0.218 111 A C 2.512 180.018 177.584 -0.130 0.000 1.188 111 A CA 3.046 55.056 52.037 -0.045 0.000 0.631 111 A CB -1.564 17.412 19.000 -0.041 0.000 0.822 111 A HN 0.534 nan 8.150 nan 0.000 0.447 112 T N -3.844 110.627 114.554 -0.139 0.000 2.867 112 T HA -0.199 4.147 4.350 -0.008 0.000 0.268 112 T C 1.831 176.449 174.700 -0.136 0.000 1.057 112 T CA 1.498 63.457 62.100 -0.236 0.000 1.136 112 T CB -0.552 68.218 68.868 -0.164 0.000 0.874 112 T HN 0.461 nan 8.240 nan 0.000 0.466 113 Y N 2.191 122.411 120.300 -0.134 0.000 2.145 113 Y HA -0.080 4.465 4.550 -0.007 0.000 0.286 113 Y C 2.611 178.450 175.900 -0.102 0.000 1.145 113 Y CA 1.516 59.557 58.100 -0.098 0.000 1.148 113 Y CB -0.599 37.822 38.460 -0.064 0.000 0.981 113 Y HN 0.242 nan 8.280 nan 0.000 0.507 114 Q N -0.936 118.762 119.800 -0.170 0.000 2.291 114 Q HA -0.125 4.211 4.340 -0.008 0.000 0.206 114 Q C 1.432 177.286 176.000 -0.242 0.000 0.976 114 Q CA 0.899 56.566 55.803 -0.228 0.000 0.875 114 Q CB -0.068 28.622 28.738 -0.080 0.000 0.927 114 Q HN 0.352 nan 8.270 nan 0.000 0.450 115 L N -1.103 119.965 121.223 -0.258 0.000 2.591 115 L HA 0.163 4.499 4.340 -0.008 0.000 0.228 115 L C 1.096 177.804 176.870 -0.271 0.000 1.133 115 L CA 1.110 55.792 54.840 -0.264 0.000 0.880 115 L CB -0.180 41.645 42.059 -0.391 0.000 1.033 115 L HN 0.284 nan 8.230 nan 0.000 0.450 116 G N -0.163 108.458 108.800 -0.299 0.000 2.149 116 G HA2 -0.236 3.719 3.960 -0.008 0.000 0.235 116 G HA3 -0.236 3.719 3.960 -0.008 0.000 0.235 116 G C 0.036 174.809 174.900 -0.212 0.000 1.018 116 G CA 0.246 45.189 45.100 -0.261 0.000 0.728 116 G HN 0.270 nan 8.290 nan 0.000 0.508 117 L N -0.365 120.732 121.223 -0.210 0.000 2.341 117 L HA 0.639 4.974 4.340 -0.008 0.000 0.267 117 L C -0.658 176.190 176.870 -0.036 0.000 1.009 117 L CA -1.195 53.554 54.840 -0.151 0.000 0.819 117 L CB 1.942 43.850 42.059 -0.252 0.000 1.323 117 L HN 0.093 nan 8.230 nan 0.000 0.425 118 D N 1.793 122.200 120.400 0.012 0.000 2.373 118 D HA 0.208 4.843 4.640 -0.008 0.000 0.227 118 D C 0.585 176.919 176.300 0.057 0.000 1.091 118 D CA -0.300 53.732 54.000 0.053 0.000 0.840 118 D CB 1.611 42.447 40.800 0.059 0.000 1.060 118 D HN 0.501 nan 8.370 nan 0.000 0.502 119 M N 3.090 122.723 119.600 0.055 0.000 2.159 119 M HA -0.145 4.331 4.480 -0.008 0.000 0.263 119 M C 1.318 177.663 176.300 0.075 0.000 1.063 119 M CA 1.546 56.886 55.300 0.067 0.000 1.110 119 M CB 0.207 32.839 32.600 0.052 0.000 1.374 119 M HN 0.440 nan 8.290 nan 0.000 0.411 120 E N -0.210 120.025 120.200 0.059 0.000 2.077 120 E HA -0.266 4.079 4.350 -0.008 0.000 0.193 120 E C 1.871 178.509 176.600 0.062 0.000 0.989 120 E CA 1.498 57.931 56.400 0.055 0.000 0.800 120 E CB -0.223 29.507 29.700 0.050 0.000 0.746 120 E HN 0.629 nan 8.360 nan 0.000 0.452 121 E N 0.460 120.701 120.200 0.068 0.000 2.085 121 E HA -0.218 4.128 4.350 -0.008 0.000 0.194 121 E C 1.953 178.600 176.600 0.077 0.000 0.994 121 E CA 0.768 57.209 56.400 0.069 0.000 0.801 121 E CB 0.132 29.876 29.700 0.074 0.000 0.743 121 E HN 0.070 nan 8.360 nan 0.000 0.453 122 L N 1.308 122.600 121.223 0.115 0.000 2.093 122 L HA -0.145 4.190 4.340 -0.008 0.000 0.208 122 L C 2.064 179.006 176.870 0.120 0.000 1.085 122 L CA 1.630 56.573 54.840 0.173 0.000 0.755 122 L CB -0.580 41.632 42.059 0.255 0.000 0.904 122 L HN 0.138 nan 8.230 nan 0.000 0.435 123 E N -0.657 119.601 120.200 0.097 0.000 2.153 123 E HA -0.191 4.154 4.350 -0.008 0.000 0.194 123 E C 1.750 178.318 176.600 -0.053 0.000 0.988 123 E CA 0.776 57.205 56.400 0.049 0.000 0.811 123 E CB -0.047 29.685 29.700 0.053 0.000 0.746 123 E HN 0.437 nan 8.360 nan 0.000 0.466 124 E N 0.353 120.535 120.200 -0.030 0.000 2.418 124 E HA -0.089 4.256 4.350 -0.008 0.000 0.197 124 E C 1.837 178.374 176.600 -0.107 0.000 1.026 124 E CA 0.504 56.883 56.400 -0.035 0.000 0.862 124 E CB 0.087 29.800 29.700 0.022 0.000 0.799 124 E HN 0.430 nan 8.360 nan 0.000 0.518 125 I N 0.695 121.136 120.570 -0.216 0.000 2.716 125 I HA -0.081 4.085 4.170 -0.008 0.000 0.259 125 I C 1.362 177.159 176.117 -0.534 0.000 1.172 125 I CA 0.139 61.242 61.300 -0.328 0.000 1.478 125 I CB 0.083 37.893 38.000 -0.316 0.000 1.104 125 I HN -0.022 nan 8.210 nan 0.000 0.439 126 E N 2.862 122.617 120.200 -0.742 0.000 2.415 126 E HA -0.033 4.313 4.350 -0.008 0.000 0.263 126 E C -0.235 176.271 176.600 -0.156 0.000 0.995 126 E CA -0.158 55.880 56.400 -0.604 0.000 0.915 126 E CB 0.655 30.134 29.700 -0.369 0.000 0.951 126 E HN 0.097 nan 8.360 nan 0.000 0.449 127 E N 3.424 123.630 120.200 0.010 0.000 2.331 127 E HA 0.084 4.429 4.350 -0.008 0.000 0.272 127 E C -0.795 175.913 176.600 0.181 0.000 1.036 127 E CA -0.311 56.178 56.400 0.148 0.000 0.864 127 E CB 0.824 30.699 29.700 0.292 0.000 1.035 127 E HN 0.493 nan 8.360 nan 0.000 0.408 128 D N 0.660 121.142 120.400 0.136 0.000 2.382 128 D HA 0.196 4.831 4.640 -0.008 0.000 0.245 128 D C -0.419 175.922 176.300 0.067 0.000 1.120 128 D CA 0.052 54.105 54.000 0.089 0.000 0.890 128 D CB 0.732 41.571 40.800 0.065 0.000 1.201 128 D HN 0.373 nan 8.370 nan 0.000 0.433 129 A N 2.116 124.928 122.820 -0.013 0.000 2.650 129 A HA 0.499 4.815 4.320 -0.008 0.000 0.320 129 A C 0.865 178.293 177.584 -0.259 0.000 1.466 129 A CA -0.498 51.331 52.037 -0.347 0.000 1.099 129 A CB -0.176 18.712 19.000 -0.186 0.000 1.136 129 A HN 0.498 nan 8.150 nan 0.000 0.532 130 G N 2.129 110.718 108.800 -0.352 0.000 3.860 130 G HA2 0.437 4.392 3.960 -0.008 0.000 0.269 130 G HA3 0.437 4.392 3.960 -0.008 0.000 0.269 130 G C 0.236 174.867 174.900 -0.449 0.000 1.112 130 G CA -0.302 44.643 45.100 -0.257 0.000 1.674 130 G HN 0.687 nan 8.290 nan 0.000 0.628 131 L N 1.565 122.599 121.223 -0.313 0.000 2.939 131 L HA 0.396 4.731 4.340 -0.008 0.000 0.239 131 L C 1.004 177.802 176.870 -0.119 0.000 1.325 131 L CA -0.230 54.542 54.840 -0.114 0.000 1.170 131 L CB -0.312 41.818 42.059 0.117 0.000 1.538 131 L HN 0.364 nan 8.230 nan 0.000 0.452 132 G N -1.270 107.231 108.800 -0.499 0.000 2.646 132 G HA2 0.194 4.149 3.960 -0.008 0.000 0.291 132 G HA3 0.194 4.149 3.960 -0.008 0.000 0.291 132 G C -0.164 174.343 174.900 -0.654 0.000 1.445 132 G CA -0.457 44.373 45.100 -0.450 0.000 0.814 132 G HN -0.092 nan 8.290 nan 0.000 0.495 133 N N -0.742 117.805 118.700 -0.255 0.000 2.368 133 N HA 0.194 4.929 4.740 -0.008 0.000 0.178 133 N C 1.209 176.765 175.510 0.076 0.000 1.021 133 N CA 1.413 54.394 53.050 -0.114 0.000 0.875 133 N CB 0.985 39.487 38.487 0.025 0.000 1.020 133 N HN 0.815 nan 8.380 nan 0.000 0.433 134 G N -0.805 108.105 108.800 0.185 0.000 2.947 134 G HA2 0.229 4.184 3.960 -0.008 0.000 0.115 134 G HA3 0.229 4.184 3.960 -0.008 0.000 0.115 134 G C 0.775 175.787 174.900 0.187 0.000 1.214 134 G CA 0.268 45.530 45.100 0.270 0.000 1.324 134 G HN 0.184 nan 8.290 nan 0.000 0.645 135 G N 0.499 109.354 108.800 0.092 0.000 2.491 135 G HA2 -0.156 3.799 3.960 -0.008 0.000 0.218 135 G HA3 -0.156 3.799 3.960 -0.008 0.000 0.218 135 G C 1.900 176.772 174.900 -0.045 0.000 1.180 135 G CA 1.564 46.673 45.100 0.015 0.000 0.774 135 G HN 0.821 nan 8.290 nan 0.000 0.562 136 L N 0.627 121.791 121.223 -0.099 0.000 2.046 136 L HA 0.061 4.396 4.340 -0.008 0.000 0.208 136 L C 2.816 179.597 176.870 -0.148 0.000 1.077 136 L CA 2.061 56.746 54.840 -0.260 0.000 0.747 136 L CB -0.556 41.297 42.059 -0.345 0.000 0.896 136 L HN 0.250 nan 8.230 nan 0.000 0.432 137 G N -0.689 108.094 108.800 -0.027 0.000 2.403 137 G HA2 -0.288 3.667 3.960 -0.008 0.000 0.216 137 G HA3 -0.288 3.667 3.960 -0.008 0.000 0.216 137 G C 1.628 176.577 174.900 0.082 0.000 1.154 137 G CA 0.636 45.747 45.100 0.019 0.000 0.784 137 G HN 0.297 nan 8.290 nan 0.000 0.538 138 R N 0.042 120.615 120.500 0.123 0.000 2.115 138 R HA 0.120 4.455 4.340 -0.008 0.000 0.226 138 R C 2.286 178.575 176.300 -0.019 0.000 1.100 138 R CA 0.787 56.935 56.100 0.080 0.000 0.980 138 R CB -0.839 29.471 30.300 0.018 0.000 0.875 138 R HN 0.333 nan 8.270 nan 0.000 0.445 139 L N 0.115 121.255 121.223 -0.138 0.000 2.046 139 L HA 0.015 4.350 4.340 -0.008 0.000 0.208 139 L C 2.064 178.610 176.870 -0.541 0.000 1.077 139 L CA 2.143 56.758 54.840 -0.375 0.000 0.747 139 L CB -0.835 40.959 42.059 -0.442 0.000 0.896 139 L HN 0.244 nan 8.230 nan 0.000 0.432 140 A N -0.568 122.061 122.820 -0.318 0.000 1.902 140 A HA -0.132 4.183 4.320 -0.008 0.000 0.217 140 A C 2.446 180.041 177.584 0.019 0.000 1.181 140 A CA 1.826 53.722 52.037 -0.235 0.000 0.623 140 A CB -1.135 17.690 19.000 -0.291 0.000 0.818 140 A HN 0.570 nan 8.150 nan 0.000 0.443 141 A N -1.022 121.859 122.820 0.102 0.000 1.877 141 A HA -0.164 4.151 4.320 -0.008 0.000 0.216 141 A C 2.315 179.973 177.584 0.124 0.000 1.186 141 A CA 1.667 53.809 52.037 0.174 0.000 0.620 141 A CB -1.279 17.815 19.000 0.156 0.000 0.822 141 A HN 0.597 nan 8.150 nan 0.000 0.443 142 C N -1.506 117.865 119.300 0.118 0.000 2.425 142 C HA -0.052 4.403 4.460 -0.008 0.000 0.277 142 C C 2.426 177.582 174.990 0.276 0.000 1.280 142 C CA 0.568 59.699 59.018 0.190 0.000 1.744 142 C CB -1.626 26.251 27.740 0.229 0.000 1.989 142 C HN 0.600 nan 8.230 nan 0.000 0.491 143 F N 0.633 120.560 119.950 -0.038 0.000 2.134 143 F HA -0.082 4.440 4.527 -0.008 0.000 0.299 143 F C 2.109 177.854 175.800 -0.092 0.000 1.097 143 F CA 1.086 59.015 58.000 -0.118 0.000 1.264 143 F CB -1.379 37.409 39.000 -0.354 0.000 1.001 143 F HN 0.095 nan 8.300 nan 0.000 0.479 144 L N 0.280 121.583 121.223 0.134 0.000 2.012 144 L HA -0.242 4.093 4.340 -0.008 0.000 0.210 144 L C 2.181 179.070 176.870 0.033 0.000 1.073 144 L CA 2.032 56.911 54.840 0.064 0.000 0.748 144 L CB -1.334 40.769 42.059 0.073 0.000 0.891 144 L HN 0.118 nan 8.230 nan 0.000 0.431 145 D N -1.533 118.895 120.400 0.045 0.000 2.104 145 D HA -0.174 4.462 4.640 -0.008 0.000 0.194 145 D C 2.156 178.475 176.300 0.032 0.000 0.994 145 D CA 1.494 55.505 54.000 0.020 0.000 0.830 145 D CB 0.165 40.974 40.800 0.016 0.000 0.959 145 D HN 0.197 nan 8.370 nan 0.000 0.452 146 S N -0.776 114.958 115.700 0.056 0.000 2.383 146 S HA -0.072 4.394 4.470 -0.008 0.000 0.227 146 S C 1.975 176.589 174.600 0.023 0.000 1.026 146 S CA 0.763 58.986 58.200 0.039 0.000 0.981 146 S CB -0.197 63.026 63.200 0.039 0.000 0.818 146 S HN 0.346 nan 8.310 nan 0.000 0.472 147 M N 0.960 120.570 119.600 0.016 0.000 2.213 147 M HA -0.077 4.399 4.480 -0.008 0.000 0.263 147 M C 2.398 178.705 176.300 0.012 0.000 1.062 147 M CA 1.318 56.627 55.300 0.015 0.000 1.105 147 M CB -0.476 32.119 32.600 -0.007 0.000 1.385 147 M HN 0.393 nan 8.290 nan 0.000 0.417 148 A N -0.324 122.500 122.820 0.007 0.000 1.897 148 A HA -0.090 4.226 4.320 -0.008 0.000 0.215 148 A C 2.155 179.757 177.584 0.030 0.000 1.181 148 A CA 1.782 53.826 52.037 0.011 0.000 0.620 148 A CB -0.955 18.037 19.000 -0.014 0.000 0.821 148 A HN 0.386 nan 8.150 nan 0.000 0.443 149 T N 0.285 114.861 114.554 0.037 0.000 2.915 149 T HA 0.023 4.368 4.350 -0.008 0.000 0.269 149 T C 1.246 175.977 174.700 0.053 0.000 1.071 149 T CA 0.983 63.117 62.100 0.058 0.000 1.132 149 T CB -0.256 68.653 68.868 0.069 0.000 0.878 149 T HN 0.325 nan 8.240 nan 0.000 0.479 150 L N 0.435 121.685 121.223 0.045 0.000 2.653 150 L HA 0.311 4.646 4.340 -0.008 0.000 0.231 150 L C 1.613 178.515 176.870 0.055 0.000 1.153 150 L CA -0.134 54.734 54.840 0.047 0.000 0.933 150 L CB -0.329 41.756 42.059 0.044 0.000 1.175 150 L HN 0.372 nan 8.230 nan 0.000 0.473 151 G N 1.124 109.961 108.800 0.061 0.000 2.258 151 G HA2 -0.292 3.663 3.960 -0.008 0.000 0.274 151 G HA3 -0.292 3.663 3.960 -0.008 0.000 0.274 151 G C 0.150 175.100 174.900 0.085 0.000 1.021 151 G CA 0.131 45.285 45.100 0.089 0.000 0.798 151 G HN 0.299 nan 8.290 nan 0.000 0.507 152 L N -0.213 121.031 121.223 0.035 0.000 2.350 152 L HA 0.604 4.940 4.340 -0.008 0.000 0.275 152 L C 1.209 177.970 176.870 -0.182 0.000 1.099 152 L CA -0.347 54.469 54.840 -0.041 0.000 0.808 152 L CB 1.541 43.591 42.059 -0.015 0.000 1.149 152 L HN 0.238 nan 8.230 nan 0.000 0.442 153 A N 2.944 125.519 122.820 -0.408 0.000 2.990 153 A HA 0.564 4.879 4.320 -0.008 0.000 0.282 153 A C 0.297 177.523 177.584 -0.596 0.000 1.688 153 A CA -0.184 51.322 52.037 -0.885 0.000 1.391 153 A CB -0.658 17.695 19.000 -1.078 0.000 1.112 153 A HN 0.697 nan 8.150 nan 0.000 0.588 154 A N 1.467 123.990 122.820 -0.495 0.000 2.325 154 A HA 0.798 5.113 4.320 -0.008 0.000 0.333 154 A C -0.997 176.306 177.584 -0.468 0.000 1.155 154 A CA -0.451 51.356 52.037 -0.384 0.000 0.814 154 A CB 0.721 19.585 19.000 -0.227 0.000 1.206 154 A HN 0.626 nan 8.150 nan 0.000 0.482 155 Y N 0.217 120.448 120.300 -0.114 0.000 2.406 155 Y HA 0.543 5.088 4.550 -0.007 0.000 0.340 155 Y C 0.806 176.797 175.900 0.152 0.000 0.975 155 Y CA -0.532 57.578 58.100 0.018 0.000 1.056 155 Y CB 2.437 41.000 38.460 0.172 0.000 1.210 155 Y HN 0.836 nan 8.280 nan 0.000 0.448 156 G N 2.100 110.987 108.800 0.145 0.000 2.332 156 G HA2 0.485 4.440 3.960 -0.008 0.000 0.310 156 G HA3 0.485 4.440 3.960 -0.008 0.000 0.310 156 G C -1.829 173.082 174.900 0.017 0.000 1.123 156 G CA -0.311 44.905 45.100 0.193 0.000 0.873 156 G HN 0.523 nan 8.290 nan 0.000 0.460 157 Y N 0.895 121.413 120.300 0.365 0.000 2.361 157 Y HA 0.633 5.179 4.550 -0.008 0.000 0.337 157 Y C 0.729 176.923 175.900 0.489 0.000 0.965 157 Y CA 0.201 58.487 58.100 0.309 0.000 1.091 157 Y CB 2.706 41.380 38.460 0.358 0.000 1.182 157 Y HN 0.894 nan 8.280 nan 0.000 0.450 158 G N 2.302 111.408 108.800 0.510 0.000 2.772 158 G HA2 0.582 4.537 3.960 -0.008 0.000 0.284 158 G HA3 0.582 4.537 3.960 -0.008 0.000 0.284 158 G C -1.750 173.386 174.900 0.393 0.000 1.217 158 G CA -0.803 44.632 45.100 0.558 0.000 0.831 158 G HN 0.420 nan 8.290 nan 0.000 0.523 159 I N 0.527 121.225 120.570 0.214 0.000 2.474 159 I HA 0.447 4.613 4.170 -0.008 0.000 0.294 159 I C 0.195 176.211 176.117 -0.169 0.000 1.005 159 I CA -0.744 60.569 61.300 0.022 0.000 1.113 159 I CB 2.312 40.150 38.000 -0.270 0.000 1.289 159 I HN 0.376 nan 8.210 nan 0.000 0.436 160 R N 5.967 126.469 120.500 0.003 0.000 2.593 160 R HA 0.246 4.581 4.340 -0.008 0.000 0.282 160 R C -1.281 175.071 176.300 0.087 0.000 1.300 160 R CA -0.451 55.685 56.100 0.059 0.000 1.221 160 R CB -0.032 30.279 30.300 0.018 0.000 1.157 160 R HN 0.398 nan 8.270 nan 0.000 0.555 161 Y N 1.686 122.148 120.300 0.270 0.000 2.526 161 Y HA -0.044 4.501 4.550 -0.008 0.000 0.330 161 Y C 1.385 177.468 175.900 0.306 0.000 1.156 161 Y CA 0.083 58.334 58.100 0.252 0.000 1.419 161 Y CB 0.806 39.390 38.460 0.208 0.000 1.250 161 Y HN 0.559 nan 8.280 nan 0.000 0.540 162 E N 1.864 122.249 120.200 0.308 0.000 2.152 162 E HA -0.065 4.281 4.350 -0.008 0.000 0.192 162 E C -0.735 175.741 176.600 -0.205 0.000 0.983 162 E CA 0.837 57.217 56.400 -0.034 0.000 0.818 162 E CB 0.118 29.697 29.700 -0.202 0.000 0.758 162 E HN 0.403 nan 8.360 nan 0.000 0.467 163 F N -0.181 120.001 119.950 0.386 0.000 2.507 163 F HA 0.395 4.918 4.527 -0.008 0.000 0.328 163 F C 0.806 176.699 175.800 0.156 0.000 1.136 163 F CA -0.993 57.188 58.000 0.302 0.000 0.930 163 F CB 1.777 40.882 39.000 0.174 0.000 1.166 163 F HN -0.176 nan 8.300 nan 0.000 0.436 164 G N 1.828 110.728 108.800 0.166 0.000 2.582 164 G HA2 0.340 4.295 3.960 -0.008 0.000 0.232 164 G HA3 0.340 4.295 3.960 -0.008 0.000 0.232 164 G C -0.504 174.349 174.900 -0.079 0.000 1.458 164 G CA -0.658 44.384 45.100 -0.096 0.000 1.062 164 G HN 0.536 nan 8.290 nan 0.000 0.566 165 I N 0.981 121.421 120.570 -0.216 0.000 2.752 165 I HA 0.213 4.379 4.170 -0.008 0.000 0.289 165 I C 0.508 176.528 176.117 -0.161 0.000 1.197 165 I CA -1.224 59.925 61.300 -0.251 0.000 1.432 165 I CB -0.317 37.432 38.000 -0.418 0.000 1.359 165 I HN 0.325 nan 8.210 nan 0.000 0.571 166 F N 6.344 126.304 119.950 0.017 0.000 2.595 166 F HA 0.268 4.790 4.527 -0.007 0.000 0.359 166 F C 0.468 176.320 175.800 0.086 0.000 1.147 166 F CA -0.560 57.474 58.000 0.057 0.000 1.341 166 F CB -0.315 38.707 39.000 0.037 0.000 1.104 166 F HN 0.427 nan 8.300 nan 0.000 0.603 167 N N 2.377 121.264 118.700 0.312 0.000 2.488 167 N HA 0.057 4.792 4.740 -0.008 0.000 0.274 167 N C -0.831 174.918 175.510 0.399 0.000 1.111 167 N CA -0.291 52.910 53.050 0.251 0.000 0.974 167 N CB 1.200 39.822 38.487 0.225 0.000 1.089 167 N HN 0.764 nan 8.380 nan 0.000 0.465 168 Q N 2.494 122.500 119.800 0.344 0.000 2.274 168 Q HA 0.167 4.503 4.340 -0.008 0.000 0.256 168 Q C -0.969 175.204 176.000 0.288 0.000 0.927 168 Q CA -0.377 55.666 55.803 0.400 0.000 0.939 168 Q CB 0.669 29.647 28.738 0.400 0.000 1.201 168 Q HN 0.205 nan 8.270 nan 0.000 0.426 169 K N 4.295 124.840 120.400 0.242 0.000 2.259 169 K HA 0.465 4.780 4.320 -0.008 0.000 0.252 169 K C -0.698 176.002 176.600 0.166 0.000 0.936 169 K CA -0.852 55.551 56.287 0.193 0.000 0.810 169 K CB 1.570 34.163 32.500 0.154 0.000 1.143 169 K HN 0.639 nan 8.250 nan 0.000 0.427 170 I N 2.911 123.571 120.570 0.151 0.000 2.328 170 I HA 0.201 4.366 4.170 -0.008 0.000 0.287 170 I C -0.319 175.858 176.117 0.100 0.000 1.012 170 I CA -0.644 60.718 61.300 0.102 0.000 1.195 170 I CB 0.590 38.635 38.000 0.075 0.000 1.350 170 I HN 0.392 nan 8.210 nan 0.000 0.464 171 C N 4.018 123.388 119.300 0.117 0.000 2.301 171 C HA 0.600 5.055 4.460 -0.008 0.000 0.323 171 C C 1.229 176.323 174.990 0.172 0.000 1.265 171 C CA -0.462 58.629 59.018 0.122 0.000 1.503 171 C CB 0.487 28.292 27.740 0.108 0.000 2.195 171 C HN 1.082 nan 8.230 nan 0.000 0.477 172 G N 2.288 111.164 108.800 0.126 0.000 2.203 172 G HA2 0.108 4.064 3.960 -0.008 0.000 0.263 172 G HA3 0.108 4.064 3.960 -0.008 0.000 0.263 172 G C 1.070 176.005 174.900 0.059 0.000 1.012 172 G CA 0.952 46.139 45.100 0.144 0.000 0.749 172 G HN 2.391 nan 8.290 nan 0.000 0.512 173 G N -2.990 105.789 108.800 -0.036 0.000 2.176 173 G HA2 -0.271 3.684 3.960 -0.008 0.000 0.253 173 G HA3 -0.271 3.684 3.960 -0.008 0.000 0.253 173 G C 0.303 174.984 174.900 -0.364 0.000 0.979 173 G CA 0.604 45.561 45.100 -0.238 0.000 0.641 173 G HN 1.196 nan 8.290 nan 0.000 0.530 174 W N 0.766 122.016 121.300 -0.083 0.000 2.570 174 W HA 0.677 5.332 4.660 -0.007 0.000 0.337 174 W C 0.577 177.046 176.519 -0.082 0.000 1.067 174 W CA -0.913 56.377 57.345 -0.092 0.000 1.229 174 W CB 0.876 30.298 29.460 -0.063 0.000 1.355 174 W HN 0.237 nan 8.180 nan 0.000 0.555 175 Q N 2.977 122.879 119.800 0.170 0.000 2.304 175 Q HA 0.281 4.616 4.340 -0.008 0.000 0.260 175 Q C -0.661 175.398 176.000 0.097 0.000 0.965 175 Q CA 0.126 55.995 55.803 0.110 0.000 0.898 175 Q CB 0.583 29.379 28.738 0.096 0.000 1.196 175 Q HN 0.319 nan 8.270 nan 0.000 0.402 176 M N 3.208 122.860 119.600 0.086 0.000 2.321 176 M HA 0.367 4.843 4.480 -0.008 0.000 0.315 176 M C -1.165 175.143 176.300 0.013 0.000 1.052 176 M CA -0.697 54.620 55.300 0.030 0.000 0.936 176 M CB 1.801 34.433 32.600 0.054 0.000 1.639 176 M HN 0.617 nan 8.290 nan 0.000 0.433 177 E N 1.393 121.522 120.200 -0.118 0.000 2.231 177 E HA 0.489 4.835 4.350 -0.008 0.000 0.277 177 E C -0.850 175.741 176.600 -0.014 0.000 0.999 177 E CA -0.369 55.918 56.400 -0.188 0.000 0.827 177 E CB 1.683 30.997 29.700 -0.642 0.000 1.101 177 E HN 0.470 nan 8.360 nan 0.000 0.393 178 E N 1.101 121.382 120.200 0.134 0.000 2.272 178 E HA 0.585 4.931 4.350 -0.008 0.000 0.269 178 E C -1.244 175.457 176.600 0.168 0.000 0.877 178 E CA -1.132 55.342 56.400 0.123 0.000 0.755 178 E CB 1.303 31.092 29.700 0.149 0.000 1.192 178 E HN 0.617 nan 8.360 nan 0.000 0.422 179 A N 3.302 126.178 122.820 0.093 0.000 2.540 179 A HA 0.001 4.316 4.320 -0.008 0.000 0.239 179 A C 0.024 177.779 177.584 0.286 0.000 1.061 179 A CA 0.278 52.377 52.037 0.104 0.000 0.758 179 A CB 0.125 19.061 19.000 -0.106 0.000 0.991 179 A HN 0.637 nan 8.150 nan 0.000 0.502 180 D N 1.744 122.385 120.400 0.402 0.000 2.563 180 D HA 0.189 4.825 4.640 -0.008 0.000 0.222 180 D C -0.368 176.275 176.300 0.571 0.000 1.145 180 D CA -0.200 54.044 54.000 0.406 0.000 1.001 180 D CB 0.202 41.172 40.800 0.282 0.000 1.049 180 D HN 0.415 nan 8.370 nan 0.000 0.515 181 D N 3.218 123.921 120.400 0.506 0.000 2.801 181 D HA -0.034 4.601 4.640 -0.008 0.000 0.232 181 D C 1.235 177.678 176.300 0.237 0.000 1.128 181 D CA -0.539 53.665 54.000 0.340 0.000 1.003 181 D CB -0.192 40.814 40.800 0.344 0.000 1.110 181 D HN 0.510 nan 8.370 nan 0.000 0.477 182 W N 1.808 123.144 121.300 0.060 0.000 2.611 182 W HA -0.034 4.622 4.660 -0.008 0.000 0.251 182 W C -0.018 176.553 176.519 0.087 0.000 1.265 182 W CA 0.119 57.519 57.345 0.093 0.000 1.295 182 W CB -0.725 28.792 29.460 0.095 0.000 1.129 182 W HN 0.211 nan 8.180 nan 0.000 0.630 183 L N 0.865 121.734 121.223 -0.591 0.000 2.640 183 L HA 0.194 4.529 4.340 -0.008 0.000 0.230 183 L C 2.684 179.386 176.870 -0.281 0.000 1.123 183 L CA -0.067 54.397 54.840 -0.627 0.000 0.900 183 L CB -0.586 40.975 42.059 -0.831 0.000 1.146 183 L HN -0.118 nan 8.230 nan 0.000 0.484 184 R N 0.763 121.154 120.500 -0.182 0.000 2.112 184 R HA -0.243 4.093 4.340 -0.008 0.000 0.242 184 R C 1.427 177.542 176.300 -0.308 0.000 1.137 184 R CA 2.205 58.158 56.100 -0.246 0.000 0.944 184 R CB -0.278 29.847 30.300 -0.290 0.000 0.857 184 R HN 0.281 nan 8.270 nan 0.000 0.435 185 Y N -0.257 120.059 120.300 0.026 0.000 2.466 185 Y HA 0.331 4.876 4.550 -0.008 0.000 0.272 185 Y C 0.822 176.717 175.900 -0.008 0.000 1.169 185 Y CA 0.491 58.615 58.100 0.040 0.000 1.285 185 Y CB 0.703 39.300 38.460 0.229 0.000 1.078 185 Y HN 0.470 nan 8.280 nan 0.000 0.523 186 G N 1.243 110.087 108.800 0.073 0.000 2.690 186 G HA2 -0.218 3.737 3.960 -0.008 0.000 0.686 186 G HA3 -0.218 3.737 3.960 -0.008 0.000 0.686 186 G C -1.233 173.749 174.900 0.137 0.000 1.277 186 G CA -0.813 44.303 45.100 0.027 0.000 0.799 186 G HN 0.241 nan 8.290 nan 0.000 0.613 187 N N 1.327 120.050 118.700 0.037 0.000 2.569 187 N HA 0.537 5.272 4.740 -0.008 0.000 0.254 187 N C -0.596 174.913 175.510 -0.000 0.000 1.004 187 N CA -1.911 51.174 53.050 0.058 0.000 0.904 187 N CB 2.028 40.488 38.487 -0.045 0.000 1.165 187 N HN 0.267 nan 8.380 nan 0.000 0.513 188 P HA -0.012 nan 4.420 nan 0.000 0.226 188 P C 0.602 177.569 177.300 -0.556 0.000 1.153 188 P CA 0.771 63.549 63.100 -0.537 0.000 0.777 188 P CB 0.109 31.187 31.700 -1.036 0.000 0.794 189 W N 1.919 123.226 121.300 0.013 0.000 2.576 189 W HA 0.058 4.714 4.660 -0.007 0.000 0.270 189 W C 1.324 177.884 176.519 0.068 0.000 1.255 189 W CA -0.334 57.016 57.345 0.009 0.000 1.314 189 W CB -0.289 29.176 29.460 0.008 0.000 1.101 189 W HN 0.027 nan 8.180 nan 0.000 0.595 190 E N 1.689 122.060 120.200 0.287 0.000 2.318 190 E HA 0.353 4.698 4.350 -0.008 0.000 0.265 190 E C -0.631 176.140 176.600 0.286 0.000 1.069 190 E CA -0.786 55.798 56.400 0.306 0.000 0.893 190 E CB 1.369 31.262 29.700 0.322 0.000 1.076 190 E HN -0.323 nan 8.360 nan 0.000 0.414 191 K N 1.493 122.077 120.400 0.306 0.000 2.579 191 K HA 0.421 4.737 4.320 -0.008 0.000 0.250 191 K C -1.257 175.368 176.600 0.042 0.000 0.952 191 K CA -0.478 55.920 56.287 0.184 0.000 0.857 191 K CB 1.569 34.184 32.500 0.192 0.000 1.123 191 K HN 0.668 nan 8.250 nan 0.000 0.433 192 A N 4.147 126.900 122.820 -0.112 0.000 2.477 192 A HA 0.374 4.690 4.320 -0.008 0.000 0.246 192 A C -0.238 177.157 177.584 -0.315 0.000 1.078 192 A CA -0.158 51.560 52.037 -0.533 0.000 0.770 192 A CB 0.232 18.896 19.000 -0.560 0.000 1.011 192 A HN 0.671 nan 8.150 nan 0.000 0.494 193 R N 3.133 123.442 120.500 -0.319 0.000 2.886 193 R HA 0.192 4.527 4.340 -0.008 0.000 0.306 193 R C -2.286 173.912 176.300 -0.171 0.000 1.300 193 R CA -1.617 54.384 56.100 -0.165 0.000 1.441 193 R CB 0.607 30.965 30.300 0.095 0.000 1.328 193 R HN 0.606 nan 8.270 nan 0.000 0.629 194 P HA -0.203 nan 4.420 nan 0.000 0.220 194 P C 0.865 178.088 177.300 -0.128 0.000 1.144 194 P CA 1.227 64.254 63.100 -0.122 0.000 0.800 194 P CB 0.369 32.002 31.700 -0.113 0.000 0.772 195 E N 0.011 120.034 120.200 -0.296 0.000 2.418 195 E HA -0.124 4.221 4.350 -0.008 0.000 0.197 195 E C 0.975 177.380 176.600 -0.326 0.000 1.026 195 E CA 0.653 56.824 56.400 -0.382 0.000 0.862 195 E CB -1.019 28.321 29.700 -0.600 0.000 0.799 195 E HN 0.389 nan 8.360 nan 0.000 0.518 196 F N 1.673 121.637 119.950 0.024 0.000 2.684 196 F HA 0.215 4.737 4.527 -0.008 0.000 0.298 196 F C 0.490 176.382 175.800 0.154 0.000 1.120 196 F CA -0.678 57.365 58.000 0.073 0.000 1.332 196 F CB 0.649 39.683 39.000 0.057 0.000 0.986 196 F HN -0.270 nan 8.300 nan 0.000 0.524 197 T N 3.110 117.815 114.554 0.252 0.000 2.928 197 T HA 0.282 4.628 4.350 -0.008 0.000 0.305 197 T C -0.027 174.782 174.700 0.181 0.000 1.035 197 T CA 0.459 62.703 62.100 0.240 0.000 1.145 197 T CB 0.658 69.616 68.868 0.150 0.000 0.963 197 T HN 0.078 nan 8.240 nan 0.000 0.545 198 L N 4.927 126.223 121.223 0.122 0.000 2.354 198 L HA 0.511 4.846 4.340 -0.008 0.000 0.264 198 L C -2.432 174.390 176.870 -0.081 0.000 1.008 198 L CA -2.672 52.162 54.840 -0.010 0.000 0.819 198 L CB 2.366 44.354 42.059 -0.118 0.000 1.339 198 L HN 0.381 nan 8.230 nan 0.000 0.420 199 P HA 0.309 nan 4.420 nan 0.000 0.288 199 P C -1.196 175.951 177.300 -0.255 0.000 1.267 199 P CA -0.425 62.577 63.100 -0.162 0.000 0.815 199 P CB 1.538 33.142 31.700 -0.159 0.000 0.989 200 V N 3.843 123.587 119.914 -0.283 0.000 2.540 200 V HA 0.331 4.446 4.120 -0.008 0.000 0.302 200 V C -0.055 175.785 176.094 -0.424 0.000 1.035 200 V CA -0.607 61.511 62.300 -0.303 0.000 0.873 200 V CB 1.399 33.117 31.823 -0.176 0.000 0.992 200 V HN 0.597 nan 8.190 nan 0.000 0.428 201 H N 3.770 122.677 119.070 -0.271 0.000 2.479 201 H HA 0.642 5.194 4.556 -0.008 0.000 0.335 201 H C -1.273 173.786 175.328 -0.449 0.000 1.142 201 H CA -0.157 55.659 56.048 -0.387 0.000 1.234 201 H CB 1.937 31.223 29.762 -0.793 0.000 1.503 201 H HN 0.487 nan 8.280 nan 0.000 0.510 202 F N 0.132 120.139 119.950 0.095 0.000 2.613 202 F HA 0.203 4.726 4.527 -0.008 0.000 0.314 202 F C -0.265 175.632 175.800 0.162 0.000 1.075 202 F CA -0.582 57.467 58.000 0.083 0.000 0.945 202 F CB 1.079 40.017 39.000 -0.103 0.000 1.310 202 F HN 0.536 nan 8.300 nan 0.000 0.467 203 Y N 0.242 120.838 120.300 0.493 0.000 2.896 203 Y HA -0.005 4.541 4.550 -0.008 0.000 0.466 203 Y C 1.329 177.483 175.900 0.422 0.000 1.196 203 Y CA 0.720 59.029 58.100 0.348 0.000 2.514 203 Y CB -1.893 36.699 38.460 0.221 0.000 1.231 203 Y HN 1.312 nan 8.280 nan 0.000 0.632 204 G N 0.556 109.635 108.800 0.464 0.000 2.593 204 G HA2 0.122 4.078 3.960 -0.008 0.000 0.237 204 G HA3 0.122 4.078 3.960 -0.008 0.000 0.237 204 G C -0.642 174.470 174.900 0.353 0.000 1.312 204 G CA 0.726 46.021 45.100 0.325 0.000 0.896 204 G HN 1.354 nan 8.290 nan 0.000 0.574 205 R N -2.439 118.263 120.500 0.336 0.000 2.734 205 R HA 0.705 5.040 4.340 -0.008 0.000 0.271 205 R C -1.387 175.049 176.300 0.228 0.000 1.021 205 R CA -1.017 55.223 56.100 0.234 0.000 0.893 205 R CB 1.465 31.849 30.300 0.141 0.000 1.244 205 R HN 0.862 nan 8.270 nan 0.000 0.464 206 V N 1.346 121.308 119.914 0.080 0.000 2.394 206 V HA 0.309 4.424 4.120 -0.008 0.000 0.282 206 V C -0.102 175.916 176.094 -0.127 0.000 1.031 206 V CA -0.523 61.748 62.300 -0.048 0.000 0.881 206 V CB 1.309 33.025 31.823 -0.179 0.000 0.982 206 V HN 0.670 nan 8.190 nan 0.000 0.451 207 E N 3.338 123.454 120.200 -0.140 0.000 2.191 207 E HA 0.402 4.747 4.350 -0.008 0.000 0.278 207 E C -0.954 175.509 176.600 -0.229 0.000 0.972 207 E CA -0.700 55.633 56.400 -0.111 0.000 0.804 207 E CB 1.202 30.886 29.700 -0.025 0.000 1.110 207 E HN 0.626 nan 8.360 nan 0.000 0.394 208 H N 2.598 121.683 119.070 0.025 0.000 2.683 208 H HA 0.146 4.698 4.556 -0.008 0.000 0.270 208 H C 0.261 175.598 175.328 0.014 0.000 1.201 208 H CA -0.232 55.826 56.048 0.016 0.000 1.277 208 H CB 0.582 30.349 29.762 0.009 0.000 1.400 208 H HN 0.572 nan 8.280 nan 0.000 0.504 209 T N -0.946 113.668 114.554 0.099 0.000 2.867 209 T HA 0.118 4.464 4.350 -0.008 0.000 0.286 209 T C 1.778 176.517 174.700 0.065 0.000 1.022 209 T CA -0.103 62.037 62.100 0.066 0.000 0.933 209 T CB 0.731 69.622 68.868 0.039 0.000 1.280 209 T HN 0.381 nan 8.240 nan 0.000 0.566 210 S N -0.148 115.578 115.700 0.043 0.000 2.353 210 S HA -0.131 4.334 4.470 -0.008 0.000 0.222 210 S C 1.129 175.751 174.600 0.036 0.000 1.035 210 S CA 0.895 59.115 58.200 0.034 0.000 1.025 210 S CB -0.678 62.537 63.200 0.026 0.000 0.902 210 S HN 0.681 nan 8.310 nan 0.000 0.440 211 Q N 1.563 121.385 119.800 0.036 0.000 2.626 211 Q HA 0.577 4.912 4.340 -0.008 0.000 0.239 211 Q C 0.123 176.147 176.000 0.041 0.000 1.101 211 Q CA 0.547 56.371 55.803 0.035 0.000 0.918 211 Q CB 0.473 29.227 28.738 0.027 0.000 1.151 211 Q HN 0.742 nan 8.270 nan 0.000 0.531 212 G N 0.974 109.808 108.800 0.057 0.000 2.730 212 G HA2 0.081 4.036 3.960 -0.008 0.000 0.686 212 G HA3 0.081 4.036 3.960 -0.008 0.000 0.686 212 G C -0.580 174.362 174.900 0.070 0.000 1.343 212 G CA -0.649 44.491 45.100 0.067 0.000 0.826 212 G HN 0.750 nan 8.290 nan 0.000 0.582 213 A N 0.514 123.373 122.820 0.064 0.000 2.332 213 A HA 0.789 5.104 4.320 -0.008 0.000 0.258 213 A C 0.510 178.060 177.584 -0.057 0.000 1.087 213 A CA 0.807 52.816 52.037 -0.047 0.000 0.802 213 A CB 0.959 19.908 19.000 -0.084 0.000 1.042 213 A HN 1.116 nan 8.150 nan 0.000 0.489 214 K N 0.393 120.738 120.400 -0.092 0.000 2.507 214 K HA 0.294 4.609 4.320 -0.008 0.000 0.251 214 K C -1.972 174.661 176.600 0.055 0.000 0.943 214 K CA -0.415 55.864 56.287 -0.013 0.000 0.794 214 K CB 1.346 33.839 32.500 -0.012 0.000 1.188 214 K HN 0.716 nan 8.250 nan 0.000 0.428 215 W N 6.382 127.600 121.300 -0.137 0.000 2.308 215 W HA 0.383 5.039 4.660 -0.008 0.000 0.311 215 W C -0.880 175.572 176.519 -0.112 0.000 1.088 215 W CA -0.730 56.539 57.345 -0.126 0.000 1.309 215 W CB 0.208 29.583 29.460 -0.143 0.000 1.229 215 W HN 0.288 nan 8.180 nan 0.000 0.427 216 V N 2.695 122.656 119.914 0.077 0.000 3.155 216 V HA 0.610 4.725 4.120 -0.008 0.000 0.313 216 V C -0.146 175.919 176.094 -0.048 0.000 1.162 216 V CA -0.959 61.305 62.300 -0.061 0.000 1.048 216 V CB 1.928 33.748 31.823 -0.007 0.000 1.092 216 V HN 0.444 nan 8.190 nan 0.000 0.447 217 D N 0.309 120.682 120.400 -0.045 0.000 2.723 217 D HA -0.137 4.498 4.640 -0.008 0.000 0.236 217 D C 0.512 176.818 176.300 0.009 0.000 1.138 217 D CA 1.497 55.498 54.000 0.001 0.000 0.676 217 D CB -1.609 39.216 40.800 0.042 0.000 1.069 217 D HN 1.304 nan 8.370 nan 0.000 0.430 218 T N -2.921 111.588 114.554 -0.074 0.000 2.918 218 T HA 0.509 4.855 4.350 -0.008 0.000 0.283 218 T C 0.382 175.134 174.700 0.086 0.000 1.001 218 T CA -0.796 61.279 62.100 -0.040 0.000 1.041 218 T CB 2.195 70.865 68.868 -0.331 0.000 1.028 218 T HN 0.029 nan 8.240 nan 0.000 0.511 219 Q N 0.783 120.698 119.800 0.191 0.000 2.241 219 Q HA 0.557 4.892 4.340 -0.008 0.000 0.254 219 Q C -0.923 175.171 176.000 0.157 0.000 0.917 219 Q CA -0.872 55.046 55.803 0.193 0.000 0.919 219 Q CB 1.988 30.902 28.738 0.292 0.000 1.237 219 Q HN 0.513 nan 8.270 nan 0.000 0.434 220 V N 2.995 122.945 119.914 0.059 0.000 2.472 220 V HA 0.423 4.539 4.120 -0.008 0.000 0.290 220 V C -0.262 175.866 176.094 0.057 0.000 1.037 220 V CA -0.610 61.655 62.300 -0.057 0.000 0.908 220 V CB 1.780 33.510 31.823 -0.155 0.000 0.985 220 V HN 0.486 nan 8.190 nan 0.000 0.454 221 V N 5.805 125.780 119.914 0.101 0.000 2.588 221 V HA 0.469 4.584 4.120 -0.008 0.000 0.304 221 V C -0.235 175.958 176.094 0.166 0.000 1.042 221 V CA -0.590 61.819 62.300 0.182 0.000 0.877 221 V CB 1.919 33.939 31.823 0.327 0.000 0.996 221 V HN 0.639 nan 8.190 nan 0.000 0.425 222 L N 3.677 124.997 121.223 0.163 0.000 2.350 222 L HA 0.731 5.067 4.340 -0.008 0.000 0.275 222 L C 0.499 177.555 176.870 0.310 0.000 1.099 222 L CA -0.313 54.624 54.840 0.162 0.000 0.808 222 L CB 1.312 43.448 42.059 0.127 0.000 1.149 222 L HN 0.752 nan 8.230 nan 0.000 0.442 223 A N 5.130 128.078 122.820 0.213 0.000 2.267 223 A HA 0.567 4.882 4.320 -0.008 0.000 0.315 223 A C -0.459 177.406 177.584 0.467 0.000 1.297 223 A CA -0.464 51.733 52.037 0.267 0.000 0.865 223 A CB 0.827 19.533 19.000 -0.489 0.000 1.165 223 A HN 0.785 nan 8.150 nan 0.000 0.513 224 M N 6.311 126.244 119.600 0.555 0.000 2.129 224 M HA 0.434 4.909 4.480 -0.008 0.000 0.348 224 M C -2.560 174.024 176.300 0.472 0.000 1.116 224 M CA -2.116 53.452 55.300 0.447 0.000 1.022 224 M CB 1.993 34.779 32.600 0.310 0.000 1.599 224 M HN 0.383 nan 8.290 nan 0.000 0.449 225 P HA 0.251 nan 4.420 nan 0.000 0.286 225 P C -1.960 175.292 177.300 -0.081 0.000 1.261 225 P CA -0.119 62.906 63.100 -0.126 0.000 0.821 225 P CB 0.767 32.158 31.700 -0.516 0.000 1.013 226 Y N 0.487 120.725 120.300 -0.103 0.000 2.361 226 Y HA 0.321 4.866 4.550 -0.008 0.000 0.337 226 Y C 0.130 176.019 175.900 -0.018 0.000 0.965 226 Y CA -0.274 57.825 58.100 -0.003 0.000 1.091 226 Y CB 1.498 39.986 38.460 0.047 0.000 1.182 226 Y HN 0.220 nan 8.280 nan 0.000 0.450 227 D N 1.854 122.365 120.400 0.185 0.000 2.168 227 D HA 0.431 5.067 4.640 -0.008 0.000 0.246 227 D C -0.635 175.897 176.300 0.388 0.000 1.050 227 D CA -0.241 53.908 54.000 0.248 0.000 0.857 227 D CB 1.827 42.797 40.800 0.283 0.000 1.169 227 D HN 0.361 nan 8.370 nan 0.000 0.453 228 T N 3.130 117.822 114.554 0.229 0.000 2.824 228 T HA 0.460 4.805 4.350 -0.008 0.000 0.282 228 T C -2.536 172.022 174.700 -0.237 0.000 0.993 228 T CA -1.431 60.705 62.100 0.059 0.000 0.967 228 T CB 2.070 70.964 68.868 0.042 0.000 0.960 228 T HN 0.179 nan 8.240 nan 0.000 0.441 229 P HA 0.311 nan 4.420 nan 0.000 0.275 229 P C -1.005 175.972 177.300 -0.538 0.000 1.227 229 P CA -0.387 62.049 63.100 -1.106 0.000 0.781 229 P CB 0.905 31.669 31.700 -1.559 0.000 0.906 230 V N 5.205 124.867 119.914 -0.421 0.000 2.305 230 V HA 0.254 4.369 4.120 -0.008 0.000 0.275 230 V C -1.995 173.974 176.094 -0.208 0.000 1.020 230 V CA -1.903 60.245 62.300 -0.253 0.000 0.811 230 V CB 1.327 33.050 31.823 -0.166 0.000 1.031 230 V HN 0.557 nan 8.190 nan 0.000 0.439 231 P HA 0.259 nan 4.420 nan 0.000 0.280 231 P C 0.347 177.601 177.300 -0.076 0.000 1.244 231 P CA 0.332 63.349 63.100 -0.138 0.000 0.784 231 P CB 1.746 33.360 31.700 -0.144 0.000 0.913 232 G N 2.265 111.038 108.800 -0.045 0.000 2.599 232 G HA2 0.145 4.100 3.960 -0.008 0.000 0.264 232 G HA3 0.145 4.100 3.960 -0.008 0.000 0.264 232 G C -1.189 173.726 174.900 0.025 0.000 1.200 232 G CA -0.623 44.479 45.100 0.003 0.000 0.896 232 G HN 0.531 nan 8.290 nan 0.000 0.536 233 Y N 0.972 121.237 120.300 -0.058 0.000 2.624 233 Y HA 0.245 4.790 4.550 -0.008 0.000 0.354 233 Y C 1.340 177.205 175.900 -0.058 0.000 1.051 233 Y CA -0.215 57.846 58.100 -0.065 0.000 1.377 233 Y CB -0.101 38.318 38.460 -0.068 0.000 1.168 233 Y HN 0.713 nan 8.280 nan 0.000 0.525 234 R N 3.220 123.427 120.500 -0.488 0.000 3.502 234 R HA -0.324 4.011 4.340 -0.008 0.000 0.266 234 R C -0.009 176.159 176.300 -0.219 0.000 1.077 234 R CA 1.335 57.178 56.100 -0.429 0.000 0.718 234 R CB -2.124 27.760 30.300 -0.693 0.000 1.120 234 R HN 0.950 nan 8.270 nan 0.000 0.457 235 N N -0.732 117.892 118.700 -0.127 0.000 2.170 235 N HA 0.049 4.784 4.740 -0.008 0.000 0.222 235 N C -0.156 175.316 175.510 -0.064 0.000 1.218 235 N CA -0.565 52.442 53.050 -0.072 0.000 0.889 235 N CB 0.499 38.970 38.487 -0.027 0.000 1.083 235 N HN 0.093 nan 8.380 nan 0.000 0.520 236 N N -0.087 118.569 118.700 -0.074 0.000 2.753 236 N HA -0.133 4.602 4.740 -0.008 0.000 0.251 236 N C -0.977 174.502 175.510 -0.050 0.000 1.097 236 N CA 0.589 53.604 53.050 -0.059 0.000 0.786 236 N CB -1.267 37.186 38.487 -0.057 0.000 1.137 236 N HN 0.193 nan 8.380 nan 0.000 0.566 237 V N 1.171 121.060 119.914 -0.042 0.000 2.439 237 V HA 0.442 4.557 4.120 -0.008 0.000 0.282 237 V C 0.548 176.626 176.094 -0.028 0.000 1.039 237 V CA -0.515 61.770 62.300 -0.025 0.000 0.913 237 V CB 2.172 34.004 31.823 0.016 0.000 0.983 237 V HN -0.038 nan 8.190 nan 0.000 0.460 238 V N 5.489 125.394 119.914 -0.016 0.000 2.419 238 V HA 0.433 4.549 4.120 -0.008 0.000 0.287 238 V C -0.078 176.025 176.094 0.015 0.000 1.017 238 V CA -0.845 61.420 62.300 -0.060 0.000 0.844 238 V CB 1.411 33.179 31.823 -0.092 0.000 1.011 238 V HN 0.835 nan 8.190 nan 0.000 0.429 239 N N 1.989 120.670 118.700 -0.032 0.000 2.405 239 N HA 0.556 5.291 4.740 -0.008 0.000 0.269 239 N C -0.001 175.514 175.510 0.008 0.000 1.249 239 N CA -0.270 52.784 53.050 0.007 0.000 0.974 239 N CB 1.207 39.653 38.487 -0.068 0.000 1.204 239 N HN 0.569 nan 8.380 nan 0.000 0.565 240 T N 0.725 115.297 114.554 0.030 0.000 2.856 240 T HA 0.441 4.787 4.350 -0.008 0.000 0.283 240 T C -0.244 174.437 174.700 -0.030 0.000 1.008 240 T CA -0.525 61.654 62.100 0.132 0.000 0.997 240 T CB 1.149 70.212 68.868 0.324 0.000 0.992 240 T HN 0.322 nan 8.240 nan 0.000 0.454 241 M N 3.579 123.127 119.600 -0.087 0.000 2.078 241 M HA 0.505 4.981 4.480 -0.008 0.000 0.320 241 M C -0.635 175.515 176.300 -0.249 0.000 0.969 241 M CA -0.749 54.401 55.300 -0.249 0.000 0.929 241 M CB 0.839 33.243 32.600 -0.327 0.000 1.504 241 M HN 0.484 nan 8.290 nan 0.000 0.419 242 R N 4.733 124.968 120.500 -0.442 0.000 2.229 242 R HA 0.554 4.889 4.340 -0.008 0.000 0.332 242 R C -1.954 174.050 176.300 -0.493 0.000 0.989 242 R CA -0.571 55.222 56.100 -0.511 0.000 0.842 242 R CB 0.878 30.696 30.300 -0.804 0.000 1.119 242 R HN 0.645 nan 8.270 nan 0.000 0.456 243 L N 5.582 126.625 121.223 -0.300 0.000 2.313 243 L HA 0.465 4.800 4.340 -0.008 0.000 0.283 243 L C -1.011 175.809 176.870 -0.082 0.000 1.013 243 L CA -0.523 54.238 54.840 -0.131 0.000 0.816 243 L CB 1.152 43.219 42.059 0.014 0.000 1.236 243 L HN 0.614 nan 8.230 nan 0.000 0.419 244 W N 2.255 123.675 121.300 0.199 0.000 2.316 244 W HA 0.601 5.257 4.660 -0.008 0.000 0.321 244 W C 0.564 177.312 176.519 0.382 0.000 1.203 244 W CA -0.272 57.218 57.345 0.241 0.000 1.214 244 W CB 1.363 30.826 29.460 0.004 0.000 1.169 244 W HN 0.436 nan 8.180 nan 0.000 0.561 245 S N 1.725 117.842 115.700 0.696 0.000 2.500 245 S HA 0.771 5.237 4.470 -0.008 0.000 0.301 245 S C -0.481 174.471 174.600 0.587 0.000 1.092 245 S CA -0.724 57.789 58.200 0.520 0.000 1.030 245 S CB 0.636 64.084 63.200 0.413 0.000 1.031 245 S HN 0.536 nan 8.310 nan 0.000 0.483 246 A N 4.798 127.806 122.820 0.313 0.000 2.366 246 A HA 0.697 5.012 4.320 -0.008 0.000 0.272 246 A C -0.348 177.333 177.584 0.162 0.000 1.135 246 A CA -0.311 51.814 52.037 0.146 0.000 0.804 246 A CB 0.318 19.131 19.000 -0.312 0.000 1.064 246 A HN 0.653 nan 8.150 nan 0.000 0.499 247 K N 0.965 121.478 120.400 0.188 0.000 2.464 247 K HA 0.637 4.953 4.320 -0.008 0.000 0.253 247 K C -0.533 176.133 176.600 0.109 0.000 0.933 247 K CA -0.410 55.961 56.287 0.140 0.000 0.801 247 K CB 2.247 34.842 32.500 0.159 0.000 1.271 247 K HN 0.797 nan 8.250 nan 0.000 0.430 248 A N 3.454 126.320 122.820 0.076 0.000 2.316 248 A HA 0.600 4.915 4.320 -0.008 0.000 0.284 248 A C -2.237 175.380 177.584 0.056 0.000 1.115 248 A CA -1.195 50.878 52.037 0.060 0.000 0.812 248 A CB -0.140 18.884 19.000 0.040 0.000 1.064 248 A HN 0.328 nan 8.150 nan 0.000 0.489 249 P HA 0.154 nan 4.420 nan 0.000 0.272 249 P C 0.332 177.654 177.300 0.036 0.000 1.230 249 P CA -0.450 62.675 63.100 0.040 0.000 0.788 249 P CB 0.543 32.262 31.700 0.031 0.000 0.949 250 N N 0.464 119.186 118.700 0.036 0.000 2.457 250 N HA -0.053 4.683 4.740 -0.008 0.000 0.180 250 N C 0.478 176.011 175.510 0.039 0.000 1.050 250 N CA 0.906 53.978 53.050 0.037 0.000 0.906 250 N CB -0.231 38.278 38.487 0.037 0.000 0.968 250 N HN 0.619 nan 8.380 nan 0.000 0.445 262 Y N 1.432 121.735 120.300 0.004 0.000 2.097 262 Y HA -0.127 4.419 4.550 -0.008 0.000 0.282 262 Y C 2.479 178.382 175.900 0.005 0.000 1.152 262 Y CA 2.157 60.260 58.100 0.005 0.000 1.136 262 Y CB 0.001 38.464 38.460 0.004 0.000 0.975 262 Y HN 0.349 nan 8.280 nan 0.000 0.498 263 I N 0.561 121.045 120.570 -0.143 0.000 2.163 263 I HA -0.320 3.846 4.170 -0.008 0.000 0.243 263 I C 2.409 178.409 176.117 -0.195 0.000 1.085 263 I CA 1.887 63.051 61.300 -0.226 0.000 1.347 263 I CB -1.555 36.425 38.000 -0.034 0.000 1.044 263 I HN 0.340 nan 8.210 nan 0.000 0.408 264 Q N 1.062 120.801 119.800 -0.102 0.000 2.124 264 Q HA -0.114 4.222 4.340 -0.008 0.000 0.202 264 Q C 2.242 178.186 176.000 -0.093 0.000 0.977 264 Q CA 2.222 57.980 55.803 -0.075 0.000 0.850 264 Q CB -0.372 28.345 28.738 -0.036 0.000 0.901 264 Q HN 0.480 nan 8.270 nan 0.000 0.429 265 A N -0.743 122.010 122.820 -0.112 0.000 1.908 265 A HA -0.152 4.164 4.320 -0.008 0.000 0.218 265 A C 2.265 179.771 177.584 -0.131 0.000 1.181 265 A CA 1.756 53.735 52.037 -0.097 0.000 0.627 265 A CB -0.860 18.097 19.000 -0.071 0.000 0.818 265 A HN 0.270 nan 8.150 nan 0.000 0.445 266 V N 0.186 119.956 119.914 -0.239 0.000 2.358 266 V HA -0.231 3.884 4.120 -0.008 0.000 0.246 266 V C 2.514 178.534 176.094 -0.123 0.000 1.047 266 V CA 1.847 64.018 62.300 -0.214 0.000 1.035 266 V CB -0.747 30.865 31.823 -0.352 0.000 0.658 266 V HN 0.568 nan 8.190 nan 0.000 0.452 267 L N -0.237 120.916 121.223 -0.116 0.000 2.201 267 L HA -0.136 4.199 4.340 -0.008 0.000 0.212 267 L C 1.955 178.798 176.870 -0.044 0.000 1.105 267 L CA 1.164 55.964 54.840 -0.067 0.000 0.775 267 L CB -0.660 41.364 42.059 -0.058 0.000 0.913 267 L HN 0.336 nan 8.230 nan 0.000 0.440 268 D N 0.040 120.412 120.400 -0.048 0.000 2.378 268 D HA -0.065 4.571 4.640 -0.008 0.000 0.227 268 D C 2.114 178.402 176.300 -0.019 0.000 1.012 268 D CA 0.407 54.389 54.000 -0.030 0.000 0.905 268 D CB 0.048 40.830 40.800 -0.029 0.000 0.895 268 D HN 0.274 nan 8.370 nan 0.000 0.532 269 R N 0.542 121.029 120.500 -0.022 0.000 2.120 269 R HA -0.061 4.275 4.340 -0.008 0.000 0.234 269 R C 1.696 177.998 176.300 0.003 0.000 1.123 269 R CA 0.698 56.795 56.100 -0.006 0.000 0.975 269 R CB -0.140 30.156 30.300 -0.006 0.000 0.866 269 R HN 0.166 nan 8.270 nan 0.000 0.446 270 N N 0.953 119.654 118.700 0.001 0.000 2.192 270 N HA -0.187 4.548 4.740 -0.008 0.000 0.188 270 N C 1.661 177.175 175.510 0.007 0.000 1.013 270 N CA 1.141 54.197 53.050 0.010 0.000 0.863 270 N CB -0.220 38.273 38.487 0.011 0.000 0.990 270 N HN 0.094 nan 8.380 nan 0.000 0.430 271 L N 1.224 122.447 121.223 -0.001 0.000 2.013 271 L HA -0.158 4.178 4.340 -0.008 0.000 0.212 271 L C 2.451 179.311 176.870 -0.015 0.000 1.073 271 L CA 1.718 56.554 54.840 -0.005 0.000 0.753 271 L CB -1.064 40.991 42.059 -0.006 0.000 0.890 271 L HN 0.150 nan 8.230 nan 0.000 0.432 272 A N -0.970 121.843 122.820 -0.010 0.000 1.930 272 A HA -0.176 4.139 4.320 -0.008 0.000 0.217 272 A C 2.101 179.659 177.584 -0.042 0.000 1.175 272 A CA 1.477 53.502 52.037 -0.021 0.000 0.627 272 A CB -0.486 18.524 19.000 0.016 0.000 0.815 272 A HN 0.555 nan 8.150 nan 0.000 0.443 273 E N 0.109 120.302 120.200 -0.011 0.000 2.482 273 E HA -0.074 4.271 4.350 -0.008 0.000 0.196 273 E C 0.893 177.492 176.600 -0.003 0.000 1.047 273 E CA 0.205 56.602 56.400 -0.004 0.000 0.869 273 E CB -0.169 29.551 29.700 0.033 0.000 0.836 273 E HN 0.458 nan 8.360 nan 0.000 0.520 274 N N 1.068 119.766 118.700 -0.003 0.000 2.453 274 N HA -0.065 4.670 4.740 -0.008 0.000 0.183 274 N C 1.617 177.138 175.510 0.018 0.000 1.041 274 N CA 0.546 53.611 53.050 0.026 0.000 0.900 274 N CB -0.011 38.489 38.487 0.022 0.000 0.961 274 N HN 0.277 nan 8.380 nan 0.000 0.443 275 I N 0.365 120.890 120.570 -0.074 0.000 2.208 275 I HA -0.242 3.923 4.170 -0.008 0.000 0.245 275 I C 1.369 177.465 176.117 -0.035 0.000 1.097 275 I CA 1.234 62.456 61.300 -0.129 0.000 1.363 275 I CB -0.192 37.560 38.000 -0.413 0.000 1.051 275 I HN 0.125 nan 8.210 nan 0.000 0.413 276 S N -0.502 115.177 115.700 -0.035 0.000 2.574 276 S HA 0.194 4.660 4.470 -0.008 0.000 0.242 276 S C 1.424 176.171 174.600 0.244 0.000 0.982 276 S CA -0.566 57.701 58.200 0.111 0.000 0.977 276 S CB 0.293 63.543 63.200 0.084 0.000 0.814 276 S HN 0.204 nan 8.310 nan 0.000 0.464 277 R N 1.262 121.908 120.500 0.243 0.000 2.062 277 R HA 0.286 4.621 4.340 -0.008 0.000 0.229 277 R C 0.449 177.010 176.300 0.436 0.000 1.128 277 R CA 1.179 57.465 56.100 0.309 0.000 0.960 277 R CB -0.237 30.205 30.300 0.236 0.000 0.855 277 R HN 0.406 nan 8.270 nan 0.000 0.432 278 V N 0.044 120.168 119.914 0.350 0.000 3.012 278 V HA 0.374 4.489 4.120 -0.008 0.000 0.307 278 V C -1.634 174.421 176.094 -0.065 0.000 1.166 278 V CA -1.386 61.043 62.300 0.214 0.000 0.974 278 V CB 1.824 33.699 31.823 0.087 0.000 1.040 278 V HN 0.155 nan 8.190 nan 0.000 0.428 279 L N 5.928 126.886 121.223 -0.443 0.000 2.367 279 L HA 0.499 4.834 4.340 -0.008 0.000 0.275 279 L C -0.953 175.755 176.870 -0.272 0.000 1.129 279 L CA 0.404 54.773 54.840 -0.786 0.000 0.839 279 L CB 0.618 42.165 42.059 -0.853 0.000 1.133 279 L HN 0.683 nan 8.230 nan 0.000 0.453 280 Y N 6.924 127.129 120.300 -0.158 0.000 2.496 280 Y HA 0.234 4.779 4.550 -0.008 0.000 0.334 280 Y C -1.340 174.548 175.900 -0.020 0.000 1.080 280 Y CA -1.158 56.923 58.100 -0.032 0.000 1.355 280 Y CB 0.549 39.015 38.460 0.009 0.000 1.193 280 Y HN 0.583 nan 8.280 nan 0.000 0.523 281 P HA -0.033 nan 4.420 nan 0.000 0.262 281 P C -0.219 177.209 177.300 0.214 0.000 1.304 281 P CA 0.266 63.468 63.100 0.171 0.000 0.859 281 P CB 0.374 32.256 31.700 0.302 0.000 1.310 282 N N 2.563 121.396 118.700 0.221 0.000 2.482 282 N HA 0.001 4.737 4.740 -0.008 0.000 0.242 282 N C 0.232 175.867 175.510 0.209 0.000 1.100 282 N CA 0.127 53.308 53.050 0.218 0.000 0.946 282 N CB 0.166 38.776 38.487 0.205 0.000 1.227 282 N HN 0.032 nan 8.380 nan 0.000 0.508 283 D N 1.820 122.375 120.400 0.258 0.000 2.368 283 D HA -0.012 4.623 4.640 -0.008 0.000 0.218 283 D C 0.640 177.163 176.300 0.371 0.000 1.112 283 D CA -0.046 54.124 54.000 0.284 0.000 0.834 283 D CB -0.033 40.951 40.800 0.308 0.000 0.953 283 D HN 0.565 nan 8.370 nan 0.000 0.505 284 N N -0.324 118.583 118.700 0.345 0.000 2.557 284 N HA 0.019 4.755 4.740 -0.008 0.000 0.217 284 N C -0.471 175.186 175.510 0.245 0.000 1.062 284 N CA -0.187 53.057 53.050 0.323 0.000 0.863 284 N CB 0.239 38.829 38.487 0.172 0.000 1.390 284 N HN 0.068 nan 8.380 nan 0.000 0.445 285 F N 1.464 121.423 119.950 0.015 0.000 2.518 285 F HA 0.459 4.982 4.527 -0.008 0.000 0.323 285 F C -0.925 174.898 175.800 0.039 0.000 1.129 285 F CA -1.820 56.184 58.000 0.008 0.000 0.920 285 F CB 1.323 40.282 39.000 -0.068 0.000 1.160 285 F HN -0.067 nan 8.300 nan 0.000 0.440 286 F N 5.894 125.508 119.950 -0.560 0.000 2.543 286 F HA 0.275 4.797 4.527 -0.008 0.000 0.375 286 F C -0.289 175.192 175.800 -0.531 0.000 1.075 286 F CA 0.216 57.921 58.000 -0.492 0.000 1.225 286 F CB 0.402 39.097 39.000 -0.508 0.000 1.099 286 F HN 0.496 nan 8.300 nan 0.000 0.561 287 E N 4.289 123.809 120.200 -1.132 0.000 2.165 287 E HA 0.257 4.602 4.350 -0.008 0.000 0.266 287 E C -0.092 175.696 176.600 -1.353 0.000 0.889 287 E CA -0.719 55.136 56.400 -0.908 0.000 0.756 287 E CB 1.680 31.193 29.700 -0.312 0.000 1.131 287 E HN 0.889 nan 8.360 nan 0.000 0.411 288 G N 4.082 112.185 108.800 -1.162 0.000 3.213 288 G HA2 0.001 3.956 3.960 -0.008 0.000 0.263 288 G HA3 0.001 3.956 3.960 -0.008 0.000 0.263 288 G C 0.129 174.985 174.900 -0.073 0.000 0.829 288 G CA -0.266 44.375 45.100 -0.765 0.000 1.983 288 G HN 0.105 nan 8.290 nan 0.000 0.616 289 K N 0.710 121.088 120.400 -0.037 0.000 2.205 289 K HA 0.150 4.465 4.320 -0.008 0.000 0.279 289 K C 1.024 177.752 176.600 0.213 0.000 1.027 289 K CA -0.523 55.826 56.287 0.103 0.000 0.932 289 K CB 2.159 34.704 32.500 0.076 0.000 1.032 289 K HN 0.501 nan 8.250 nan 0.000 0.466 290 E N 1.949 122.247 120.200 0.164 0.000 2.085 290 E HA -0.218 4.127 4.350 -0.008 0.000 0.194 290 E C 1.515 178.144 176.600 0.048 0.000 0.994 290 E CA 1.023 57.478 56.400 0.092 0.000 0.801 290 E CB 0.169 29.925 29.700 0.093 0.000 0.743 290 E HN 0.400 nan 8.360 nan 0.000 0.453 291 L N 1.271 122.561 121.223 0.111 0.000 2.079 291 L HA -0.180 4.155 4.340 -0.008 0.000 0.210 291 L C 2.459 179.414 176.870 0.141 0.000 1.081 291 L CA 1.807 56.731 54.840 0.140 0.000 0.752 291 L CB -0.503 41.714 42.059 0.265 0.000 0.896 291 L HN 0.008 nan 8.230 nan 0.000 0.433 292 R N -0.632 119.887 120.500 0.031 0.000 2.075 292 R HA -0.159 4.176 4.340 -0.008 0.000 0.232 292 R C 2.111 178.438 176.300 0.045 0.000 1.126 292 R CA 1.839 57.871 56.100 -0.113 0.000 0.963 292 R CB -1.004 29.015 30.300 -0.467 0.000 0.858 292 R HN 0.406 nan 8.270 nan 0.000 0.435 293 L N 0.892 122.069 121.223 -0.076 0.000 2.046 293 L HA -0.074 4.262 4.340 -0.008 0.000 0.208 293 L C 1.687 178.497 176.870 -0.099 0.000 1.077 293 L CA 1.902 56.492 54.840 -0.417 0.000 0.747 293 L CB -0.406 41.139 42.059 -0.857 0.000 0.896 293 L HN 0.157 nan 8.230 nan 0.000 0.432 294 K N -0.959 119.431 120.400 -0.018 0.000 2.057 294 K HA -0.195 4.120 4.320 -0.008 0.000 0.207 294 K C 2.078 178.842 176.600 0.275 0.000 1.049 294 K CA 1.781 58.129 56.287 0.101 0.000 0.931 294 K CB -0.191 32.187 32.500 -0.204 0.000 0.714 294 K HN 0.524 nan 8.250 nan 0.000 0.440 295 Q N 0.663 120.588 119.800 0.209 0.000 2.084 295 Q HA -0.188 4.147 4.340 -0.008 0.000 0.202 295 Q C 1.966 178.167 176.000 0.336 0.000 0.978 295 Q CA 1.425 57.410 55.803 0.303 0.000 0.844 295 Q CB -0.046 28.890 28.738 0.331 0.000 0.898 295 Q HN 0.393 nan 8.270 nan 0.000 0.426 296 E N -0.143 120.204 120.200 0.245 0.000 2.077 296 E HA -0.212 4.134 4.350 -0.008 0.000 0.193 296 E C 1.743 178.456 176.600 0.188 0.000 0.989 296 E CA 1.051 57.578 56.400 0.211 0.000 0.800 296 E CB -0.129 29.669 29.700 0.163 0.000 0.746 296 E HN 0.321 nan 8.360 nan 0.000 0.452 297 Y N 0.367 120.710 120.300 0.072 0.000 2.263 297 Y HA -0.190 4.355 4.550 -0.008 0.000 0.292 297 Y C 1.957 177.882 175.900 0.042 0.000 1.130 297 Y CA 0.919 59.011 58.100 -0.013 0.000 1.179 297 Y CB -0.390 38.025 38.460 -0.076 0.000 0.998 297 Y HN 0.007 nan 8.280 nan 0.000 0.532 298 F N -0.207 119.732 119.950 -0.019 0.000 2.065 298 F HA -0.274 4.249 4.527 -0.008 0.000 0.298 298 F C 2.503 178.156 175.800 -0.246 0.000 1.112 298 F CA 2.114 60.058 58.000 -0.093 0.000 1.212 298 F CB -1.140 37.958 39.000 0.162 0.000 0.975 298 F HN -0.054 nan 8.300 nan 0.000 0.476 299 V N -0.420 119.451 119.914 -0.073 0.000 2.343 299 V HA -0.215 3.901 4.120 -0.008 0.000 0.247 299 V C 2.231 178.171 176.094 -0.256 0.000 1.051 299 V CA 1.989 64.208 62.300 -0.135 0.000 1.036 299 V CB -0.430 31.517 31.823 0.207 0.000 0.654 299 V HN 0.268 nan 8.190 nan 0.000 0.451 300 V N 0.462 120.241 119.914 -0.224 0.000 2.295 300 V HA -0.197 3.919 4.120 -0.008 0.000 0.246 300 V C 2.810 178.645 176.094 -0.432 0.000 1.049 300 V CA 2.182 64.333 62.300 -0.249 0.000 1.024 300 V CB -1.130 30.605 31.823 -0.146 0.000 0.648 300 V HN 0.652 nan 8.190 nan 0.000 0.447 301 A N -0.205 122.185 122.820 -0.716 0.000 1.873 301 A HA -0.084 4.231 4.320 -0.008 0.000 0.215 301 A C 2.399 179.603 177.584 -0.632 0.000 1.186 301 A CA 2.062 53.667 52.037 -0.720 0.000 0.616 301 A CB -0.777 17.576 19.000 -1.079 0.000 0.823 301 A HN 0.560 nan 8.150 nan 0.000 0.442 302 A N -1.054 121.229 122.820 -0.895 0.000 1.898 302 A HA -0.050 4.265 4.320 -0.008 0.000 0.216 302 A C 2.309 179.403 177.584 -0.817 0.000 1.181 302 A CA 2.233 53.560 52.037 -1.183 0.000 0.620 302 A CB -1.271 16.337 19.000 -2.320 0.000 0.819 302 A HN 0.420 nan 8.150 nan 0.000 0.442 303 T N 0.583 114.794 114.554 -0.572 0.000 2.684 303 T HA -0.118 4.228 4.350 -0.008 0.000 0.267 303 T C 1.821 176.260 174.700 -0.434 0.000 1.036 303 T CA 1.512 63.401 62.100 -0.351 0.000 1.148 303 T CB -0.413 68.258 68.868 -0.328 0.000 0.863 303 T HN 0.343 nan 8.240 nan 0.000 0.436 304 L N 0.694 121.702 121.223 -0.358 0.000 2.083 304 L HA -0.165 4.170 4.340 -0.008 0.000 0.209 304 L C 2.903 179.649 176.870 -0.206 0.000 1.083 304 L CA 1.387 56.062 54.840 -0.275 0.000 0.752 304 L CB -0.525 41.411 42.059 -0.204 0.000 0.899 304 L HN 0.376 nan 8.230 nan 0.000 0.433 305 Q N -0.616 119.063 119.800 -0.203 0.000 2.119 305 Q HA -0.235 4.100 4.340 -0.008 0.000 0.201 305 Q C 1.764 177.721 176.000 -0.071 0.000 0.972 305 Q CA 1.597 57.330 55.803 -0.116 0.000 0.847 305 Q CB -0.091 28.569 28.738 -0.130 0.000 0.903 305 Q HN 0.388 nan 8.270 nan 0.000 0.433 306 D N 0.650 120.998 120.400 -0.086 0.000 2.117 306 D HA -0.107 4.529 4.640 -0.008 0.000 0.197 306 D C 1.687 177.917 176.300 -0.116 0.000 0.987 306 D CA 0.888 54.880 54.000 -0.014 0.000 0.829 306 D CB -0.038 40.854 40.800 0.153 0.000 0.961 306 D HN 0.156 nan 8.370 nan 0.000 0.460 307 I N 0.269 120.659 120.570 -0.301 0.000 2.179 307 I HA -0.252 3.913 4.170 -0.008 0.000 0.242 307 I C 2.340 178.442 176.117 -0.025 0.000 1.088 307 I CA 0.787 61.845 61.300 -0.403 0.000 1.357 307 I CB -0.162 37.451 38.000 -0.645 0.000 1.051 307 I HN 0.059 nan 8.210 nan 0.000 0.409 308 I N 0.222 120.837 120.570 0.075 0.000 2.226 308 I HA -0.293 3.873 4.170 -0.008 0.000 0.245 308 I C 2.787 179.055 176.117 0.253 0.000 1.100 308 I CA 1.131 62.596 61.300 0.274 0.000 1.374 308 I CB -0.469 37.645 38.000 0.191 0.000 1.057 308 I HN 0.235 nan 8.210 nan 0.000 0.413 309 R N 1.336 121.910 120.500 0.124 0.000 2.083 309 R HA -0.219 4.116 4.340 -0.008 0.000 0.237 309 R C 2.488 178.846 176.300 0.097 0.000 1.137 309 R CA 1.733 57.889 56.100 0.094 0.000 0.951 309 R CB -0.264 30.064 30.300 0.047 0.000 0.851 309 R HN 0.200 nan 8.270 nan 0.000 0.434 310 R N -0.677 119.876 120.500 0.089 0.000 2.096 310 R HA -0.167 4.168 4.340 -0.008 0.000 0.235 310 R C 2.171 178.560 176.300 0.148 0.000 1.127 310 R CA 1.726 57.886 56.100 0.100 0.000 0.968 310 R CB -0.347 30.003 30.300 0.084 0.000 0.861 310 R HN 0.275 nan 8.270 nan 0.000 0.440 311 F N 1.527 121.507 119.950 0.051 0.000 2.113 311 F HA -0.119 4.403 4.527 -0.008 0.000 0.297 311 F C 1.564 177.375 175.800 0.018 0.000 1.103 311 F CA 1.517 59.544 58.000 0.045 0.000 1.248 311 F CB -0.048 39.038 39.000 0.143 0.000 0.999 311 F HN -0.182 nan 8.300 nan 0.000 0.475 312 K N -0.230 120.139 120.400 -0.051 0.000 2.519 312 K HA -0.044 4.271 4.320 -0.008 0.000 0.196 312 K C 1.491 177.992 176.600 -0.164 0.000 1.041 312 K CA 1.052 57.223 56.287 -0.194 0.000 0.954 312 K CB -0.212 32.288 32.500 0.000 0.000 0.774 312 K HN 0.210 nan 8.250 nan 0.000 0.480 313 S N 0.028 115.673 115.700 -0.093 0.000 2.539 313 S HA 0.098 4.563 4.470 -0.008 0.000 0.221 313 S C 0.400 174.975 174.600 -0.043 0.000 0.987 313 S CA -0.374 57.817 58.200 -0.015 0.000 0.929 313 S CB 0.533 63.786 63.200 0.089 0.000 0.832 313 S HN 0.130 nan 8.310 nan 0.000 0.492 325 N N 1.059 119.705 118.700 -0.090 0.000 2.485 325 N HA 0.442 5.177 4.740 -0.008 0.000 0.243 325 N C -0.291 175.271 175.510 0.088 0.000 0.987 325 N CA -1.178 51.898 53.050 0.044 0.000 0.940 325 N CB 0.138 38.651 38.487 0.044 0.000 1.122 325 N HN 0.098 nan 8.380 nan 0.000 0.509 326 F N 1.329 121.381 119.950 0.171 0.000 2.797 326 F HA 0.173 4.695 4.527 -0.008 0.000 0.302 326 F C 1.040 176.898 175.800 0.098 0.000 1.130 326 F CA -0.032 58.045 58.000 0.128 0.000 1.387 326 F CB 0.266 39.227 39.000 -0.064 0.000 1.107 326 F HN 0.503 nan 8.300 nan 0.000 0.577 327 D N 0.142 120.682 120.400 0.232 0.000 2.219 327 D HA -0.118 4.517 4.640 -0.008 0.000 0.205 327 D C 2.131 178.522 176.300 0.152 0.000 0.970 327 D CA 1.117 55.211 54.000 0.156 0.000 0.851 327 D CB -0.030 40.836 40.800 0.111 0.000 0.943 327 D HN 0.219 nan 8.370 nan 0.000 0.488 328 A N -0.619 122.318 122.820 0.196 0.000 2.275 328 A HA 0.116 4.431 4.320 -0.008 0.000 0.212 328 A C 1.496 179.192 177.584 0.186 0.000 1.201 328 A CA -0.325 51.822 52.037 0.182 0.000 0.843 328 A CB -0.772 18.344 19.000 0.193 0.000 0.873 328 A HN 0.225 nan 8.150 nan 0.000 0.492 329 F N 1.908 121.823 119.950 -0.058 0.000 2.091 329 F HA -0.128 4.395 4.527 -0.007 0.000 0.299 329 F C -0.854 174.841 175.800 -0.175 0.000 1.103 329 F CA 2.388 60.157 58.000 -0.385 0.000 1.228 329 F CB -0.522 38.254 39.000 -0.372 0.000 0.984 329 F HN 0.199 nan 8.300 nan 0.000 0.477 330 P HA -0.085 nan 4.420 nan 0.000 0.226 330 P C 0.656 177.912 177.300 -0.073 0.000 1.153 330 P CA 1.371 64.441 63.100 -0.051 0.000 0.777 330 P CB -0.031 31.666 31.700 -0.005 0.000 0.794 331 D N -0.937 119.440 120.400 -0.037 0.000 2.333 331 D HA -0.003 4.632 4.640 -0.008 0.000 0.208 331 D C 1.422 177.708 176.300 -0.024 0.000 0.984 331 D CA 0.833 54.825 54.000 -0.013 0.000 0.873 331 D CB 0.189 41.003 40.800 0.023 0.000 0.935 331 D HN 0.137 nan 8.370 nan 0.000 0.521 332 K N 0.133 120.494 120.400 -0.065 0.000 2.402 332 K HA 0.221 4.536 4.320 -0.008 0.000 0.203 332 K C -0.074 176.438 176.600 -0.147 0.000 1.077 332 K CA 0.035 56.294 56.287 -0.047 0.000 1.051 332 K CB 2.409 34.978 32.500 0.115 0.000 0.907 332 K HN -0.068 nan 8.250 nan 0.000 0.554 333 V N 0.798 120.536 119.914 -0.294 0.000 2.760 333 V HA 0.653 4.768 4.120 -0.008 0.000 0.309 333 V C -1.199 174.802 176.094 -0.155 0.000 1.077 333 V CA -1.290 60.838 62.300 -0.287 0.000 0.910 333 V CB 1.938 33.303 31.823 -0.764 0.000 1.008 333 V HN 0.104 nan 8.190 nan 0.000 0.424 334 A N 5.451 128.239 122.820 -0.053 0.000 2.359 334 A HA 0.922 5.237 4.320 -0.008 0.000 0.303 334 A C -1.068 176.532 177.584 0.026 0.000 1.066 334 A CA -0.435 51.595 52.037 -0.012 0.000 0.730 334 A CB 1.070 20.010 19.000 -0.100 0.000 1.211 334 A HN 0.760 nan 8.150 nan 0.000 0.439 335 I N 1.944 122.575 120.570 0.101 0.000 2.382 335 I HA 0.310 4.476 4.170 -0.008 0.000 0.286 335 I C -0.367 175.834 176.117 0.140 0.000 1.002 335 I CA -0.584 60.786 61.300 0.117 0.000 1.135 335 I CB 1.966 40.020 38.000 0.089 0.000 1.288 335 I HN 0.706 nan 8.210 nan 0.000 0.448 336 Q N 6.859 126.733 119.800 0.123 0.000 2.314 336 Q HA 0.521 4.857 4.340 -0.008 0.000 0.259 336 Q C -1.388 174.596 176.000 -0.026 0.000 0.951 336 Q CA -0.264 55.640 55.803 0.168 0.000 0.909 336 Q CB 1.397 30.340 28.738 0.343 0.000 1.236 336 Q HN 0.572 nan 8.270 nan 0.000 0.444 337 L N 3.772 125.024 121.223 0.048 0.000 2.257 337 L HA 0.418 4.754 4.340 -0.008 0.000 0.290 337 L C 0.023 176.909 176.870 0.027 0.000 1.044 337 L CA -0.790 54.070 54.840 0.033 0.000 0.810 337 L CB 0.781 42.915 42.059 0.125 0.000 1.193 337 L HN 0.569 nan 8.230 nan 0.000 0.425 338 N N 4.629 123.274 118.700 -0.092 0.000 2.508 338 N HA 0.063 4.798 4.740 -0.008 0.000 0.253 338 N C -0.161 175.383 175.510 0.056 0.000 1.145 338 N CA 0.537 53.596 53.050 0.015 0.000 0.973 338 N CB -0.096 38.342 38.487 -0.082 0.000 1.305 338 N HN 0.650 nan 8.380 nan 0.000 0.506 339 D N -0.160 120.342 120.400 0.170 0.000 4.808 339 D HA -0.223 4.412 4.640 -0.008 0.000 0.304 339 D C 0.300 176.702 176.300 0.170 0.000 2.360 339 D CA 1.450 55.538 54.000 0.146 0.000 1.222 339 D CB -0.513 40.117 40.800 -0.282 0.000 1.085 339 D HN 0.508 nan 8.370 nan 0.000 1.266 340 T N -2.368 112.234 114.554 0.080 0.000 3.129 340 T HA 0.073 4.418 4.350 -0.008 0.000 0.251 340 T C 1.641 176.435 174.700 0.156 0.000 1.117 340 T CA 1.521 63.651 62.100 0.049 0.000 1.034 340 T CB -0.502 68.361 68.868 -0.009 0.000 0.968 340 T HN 0.498 nan 8.240 nan 0.000 0.526 341 H N 2.613 121.781 119.070 0.163 0.000 2.390 341 H HA -0.019 4.532 4.556 -0.008 0.000 0.298 341 H C -0.787 174.637 175.328 0.159 0.000 1.106 341 H CA 1.114 57.272 56.048 0.183 0.000 1.297 341 H CB -0.730 29.140 29.762 0.180 0.000 1.375 341 H HN 0.458 nan 8.280 nan 0.000 0.509 342 P HA 0.096 nan 4.420 nan 0.000 0.276 342 P C 0.729 178.079 177.300 0.083 0.000 1.585 342 P CA 0.363 63.551 63.100 0.146 0.000 1.162 342 P CB 0.540 32.318 31.700 0.130 0.000 1.556 343 S N -0.058 115.685 115.700 0.072 0.000 2.440 343 S HA -0.127 4.338 4.470 -0.008 0.000 0.238 343 S C 1.778 176.381 174.600 0.005 0.000 1.010 343 S CA 0.753 58.955 58.200 0.003 0.000 0.972 343 S CB -1.461 61.715 63.200 -0.041 0.000 0.774 343 S HN 0.147 nan 8.310 nan 0.000 0.501 344 L N 0.891 122.131 121.223 0.027 0.000 2.549 344 L HA 0.030 4.365 4.340 -0.008 0.000 0.229 344 L C 2.889 179.790 176.870 0.053 0.000 1.158 344 L CA 0.600 55.456 54.840 0.027 0.000 0.842 344 L CB -0.728 41.346 42.059 0.025 0.000 0.952 344 L HN 0.483 nan 8.230 nan 0.000 0.452 345 A N 0.501 123.335 122.820 0.023 0.000 1.972 345 A HA -0.180 4.135 4.320 -0.008 0.000 0.219 345 A C 2.177 179.757 177.584 -0.007 0.000 1.169 345 A CA 1.383 53.419 52.037 -0.003 0.000 0.635 345 A CB -0.417 18.574 19.000 -0.015 0.000 0.810 345 A HN 0.370 nan 8.150 nan 0.000 0.446 346 I N 0.305 120.872 120.570 -0.004 0.000 2.113 346 I HA -0.144 4.021 4.170 -0.008 0.000 0.238 346 I C -0.345 175.785 176.117 0.022 0.000 1.070 346 I CA 1.540 62.835 61.300 -0.010 0.000 1.332 346 I CB -0.999 36.998 38.000 -0.005 0.000 1.044 346 I HN 0.252 nan 8.210 nan 0.000 0.402 347 P HA -0.155 nan 4.420 nan 0.000 0.225 347 P C 1.233 178.553 177.300 0.034 0.000 1.156 347 P CA 1.424 64.556 63.100 0.054 0.000 0.787 347 P CB 0.066 31.820 31.700 0.089 0.000 0.802 348 E N 0.387 120.670 120.200 0.138 0.000 2.107 348 E HA -0.135 4.210 4.350 -0.008 0.000 0.191 348 E C 1.920 178.500 176.600 -0.034 0.000 0.982 348 E CA 0.590 57.085 56.400 0.159 0.000 0.809 348 E CB -1.179 28.665 29.700 0.241 0.000 0.756 348 E HN -0.004 nan 8.360 nan 0.000 0.459 349 L N -0.018 121.155 121.223 -0.084 0.000 2.046 349 L HA -0.076 4.259 4.340 -0.008 0.000 0.208 349 L C 2.039 178.758 176.870 -0.251 0.000 1.077 349 L CA 1.704 56.433 54.840 -0.185 0.000 0.747 349 L CB -0.522 41.428 42.059 -0.182 0.000 0.896 349 L HN 0.227 nan 8.230 nan 0.000 0.432 350 M N -0.759 118.711 119.600 -0.217 0.000 2.117 350 M HA -0.196 4.279 4.480 -0.008 0.000 0.262 350 M C 2.433 178.559 176.300 -0.290 0.000 1.065 350 M CA 1.524 56.642 55.300 -0.302 0.000 1.114 350 M CB -1.177 31.233 32.600 -0.318 0.000 1.361 350 M HN 0.338 nan 8.290 nan 0.000 0.408 351 R N 0.034 120.390 120.500 -0.240 0.000 2.083 351 R HA -0.134 4.202 4.340 -0.008 0.000 0.237 351 R C 2.048 178.238 176.300 -0.184 0.000 1.137 351 R CA 1.682 57.642 56.100 -0.233 0.000 0.951 351 R CB -0.180 29.929 30.300 -0.318 0.000 0.851 351 R HN 0.204 nan 8.270 nan 0.000 0.434 352 V N 1.441 121.245 119.914 -0.184 0.000 2.295 352 V HA -0.252 3.864 4.120 -0.008 0.000 0.246 352 V C 2.423 178.355 176.094 -0.271 0.000 1.049 352 V CA 1.759 63.947 62.300 -0.188 0.000 1.024 352 V CB -0.423 31.283 31.823 -0.194 0.000 0.648 352 V HN 0.343 nan 8.190 nan 0.000 0.447 353 L N -0.574 120.420 121.223 -0.381 0.000 2.046 353 L HA -0.136 4.199 4.340 -0.008 0.000 0.208 353 L C 2.397 179.085 176.870 -0.304 0.000 1.077 353 L CA 1.132 55.684 54.840 -0.480 0.000 0.747 353 L CB -0.636 41.087 42.059 -0.560 0.000 0.896 353 L HN 0.210 nan 8.230 nan 0.000 0.432 354 V N -0.532 119.240 119.914 -0.237 0.000 2.300 354 V HA -0.187 3.929 4.120 -0.008 0.000 0.241 354 V C 1.986 178.035 176.094 -0.075 0.000 1.034 354 V CA 1.720 63.941 62.300 -0.131 0.000 1.021 354 V CB -0.366 31.398 31.823 -0.098 0.000 0.662 354 V HN 0.346 nan 8.190 nan 0.000 0.458 355 D N -0.016 120.335 120.400 -0.081 0.000 2.149 355 D HA -0.020 4.615 4.640 -0.008 0.000 0.201 355 D C 2.037 178.311 176.300 -0.042 0.000 0.972 355 D CA 1.184 55.156 54.000 -0.047 0.000 0.835 355 D CB 0.033 40.803 40.800 -0.050 0.000 0.966 355 D HN 0.332 nan 8.370 nan 0.000 0.476 356 L N 0.168 121.352 121.223 -0.066 0.000 2.269 356 L HA 0.106 4.441 4.340 -0.008 0.000 0.200 356 L C 1.914 178.761 176.870 -0.039 0.000 1.069 356 L CA 0.494 55.307 54.840 -0.045 0.000 0.804 356 L CB -0.042 41.990 42.059 -0.046 0.000 0.987 356 L HN -0.196 nan 8.230 nan 0.000 0.468 357 E N 0.423 120.570 120.200 -0.089 0.000 2.435 357 E HA -0.005 4.340 4.350 -0.008 0.000 0.195 357 E C 0.190 176.774 176.600 -0.028 0.000 1.029 357 E CA 0.022 56.388 56.400 -0.056 0.000 0.865 357 E CB 0.257 29.828 29.700 -0.215 0.000 0.833 357 E HN 0.189 nan 8.360 nan 0.000 0.510 358 R N -0.617 119.855 120.500 -0.047 0.000 3.776 358 R HA -0.183 4.152 4.340 -0.008 0.000 0.312 358 R C -0.239 176.053 176.300 -0.012 0.000 1.181 358 R CA 0.233 56.324 56.100 -0.015 0.000 0.836 358 R CB -2.843 27.466 30.300 0.014 0.000 1.324 358 R HN 0.096 nan 8.270 nan 0.000 0.501 359 L N 2.081 123.270 121.223 -0.057 0.000 2.453 359 L HA 0.173 4.509 4.340 -0.008 0.000 0.261 359 L C 1.414 178.279 176.870 -0.008 0.000 1.179 359 L CA 0.259 55.075 54.840 -0.039 0.000 0.813 359 L CB 0.345 42.338 42.059 -0.111 0.000 1.110 359 L HN 0.128 nan 8.230 nan 0.000 0.466 360 D N -0.037 120.381 120.400 0.030 0.000 2.329 360 D HA -0.101 4.534 4.640 -0.008 0.000 0.246 360 D C 0.930 177.296 176.300 0.109 0.000 1.111 360 D CA -0.576 53.474 54.000 0.084 0.000 0.941 360 D CB 0.727 41.583 40.800 0.093 0.000 1.169 360 D HN 0.591 nan 8.370 nan 0.000 0.441 361 W N 1.949 123.249 121.300 0.000 0.000 2.301 361 W HA -0.258 4.398 4.660 -0.008 0.000 0.325 361 W C 1.030 177.588 176.519 0.065 0.000 1.250 361 W CA 2.097 59.448 57.345 0.010 0.000 1.261 361 W CB -0.386 29.059 29.460 -0.025 0.000 1.157 361 W HN 0.449 nan 8.180 nan 0.000 0.473 362 D N 0.200 120.818 120.400 0.364 0.000 2.158 362 D HA -0.209 4.427 4.640 -0.008 0.000 0.197 362 D C 2.046 178.452 176.300 0.178 0.000 0.995 362 D CA 1.557 55.736 54.000 0.298 0.000 0.846 362 D CB -0.483 40.455 40.800 0.230 0.000 0.941 362 D HN 0.061 nan 8.370 nan 0.000 0.456 363 K N 0.883 121.343 120.400 0.099 0.000 2.031 363 K HA 0.039 4.354 4.320 -0.008 0.000 0.205 363 K C 1.959 178.549 176.600 -0.016 0.000 1.049 363 K CA 1.042 57.358 56.287 0.049 0.000 0.939 363 K CB -0.433 32.090 32.500 0.039 0.000 0.717 363 K HN 0.043 nan 8.250 nan 0.000 0.438 364 A N 0.911 123.677 122.820 -0.091 0.000 1.908 364 A HA -0.199 4.117 4.320 -0.008 0.000 0.218 364 A C 2.182 179.666 177.584 -0.167 0.000 1.181 364 A CA 1.427 53.339 52.037 -0.209 0.000 0.627 364 A CB -1.104 17.703 19.000 -0.321 0.000 0.818 364 A HN 0.668 nan 8.150 nan 0.000 0.445 365 W N 0.587 121.675 121.300 -0.354 0.000 2.363 365 W HA -0.164 4.492 4.660 -0.007 0.000 0.296 365 W C 1.970 178.425 176.519 -0.105 0.000 1.212 365 W CA 1.776 58.964 57.345 -0.262 0.000 1.260 365 W CB -0.070 29.286 29.460 -0.173 0.000 1.131 365 W HN 0.600 nan 8.180 nan 0.000 0.530 366 E N 0.048 120.236 120.200 -0.020 0.000 2.051 366 E HA -0.220 4.125 4.350 -0.008 0.000 0.192 366 E C 2.069 178.585 176.600 -0.141 0.000 0.991 366 E CA 1.839 58.191 56.400 -0.079 0.000 0.799 366 E CB -0.297 29.415 29.700 0.020 0.000 0.748 366 E HN 0.052 nan 8.360 nan 0.000 0.449 367 V N 0.713 120.559 119.914 -0.113 0.000 2.295 367 V HA -0.263 3.852 4.120 -0.008 0.000 0.246 367 V C 2.395 178.411 176.094 -0.131 0.000 1.049 367 V CA 2.186 64.433 62.300 -0.088 0.000 1.024 367 V CB -0.762 30.994 31.823 -0.110 0.000 0.648 367 V HN 0.373 nan 8.190 nan 0.000 0.447 368 T N 0.045 114.451 114.554 -0.247 0.000 2.684 368 T HA -0.182 4.164 4.350 -0.008 0.000 0.267 368 T C 1.946 176.457 174.700 -0.314 0.000 1.036 368 T CA 1.797 63.727 62.100 -0.284 0.000 1.148 368 T CB -0.284 68.364 68.868 -0.367 0.000 0.863 368 T HN 0.282 nan 8.240 nan 0.000 0.436 369 V N 1.414 121.028 119.914 -0.501 0.000 2.343 369 V HA -0.172 3.943 4.120 -0.008 0.000 0.247 369 V C 2.337 178.370 176.094 -0.101 0.000 1.051 369 V CA 1.637 63.702 62.300 -0.393 0.000 1.036 369 V CB -0.494 31.025 31.823 -0.506 0.000 0.654 369 V HN 0.475 nan 8.190 nan 0.000 0.451 370 K N -0.473 119.845 120.400 -0.136 0.000 2.283 370 K HA -0.082 4.233 4.320 -0.008 0.000 0.202 370 K C 2.072 178.592 176.600 -0.134 0.000 1.048 370 K CA 1.498 57.670 56.287 -0.193 0.000 0.948 370 K CB -0.199 32.207 32.500 -0.156 0.000 0.742 370 K HN 0.467 nan 8.250 nan 0.000 0.458 371 T N 0.226 114.784 114.554 0.007 0.000 2.976 371 T HA 0.023 4.368 4.350 -0.008 0.000 0.257 371 T C 0.930 175.729 174.700 0.165 0.000 1.051 371 T CA 0.373 62.523 62.100 0.084 0.000 1.141 371 T CB 0.100 69.058 68.868 0.151 0.000 0.881 371 T HN 0.173 nan 8.240 nan 0.000 0.461 372 C N 2.306 121.692 119.300 0.143 0.000 2.405 372 C HA 0.879 5.335 4.460 -0.008 0.000 0.365 372 C C 0.562 175.634 174.990 0.136 0.000 1.233 372 C CA -1.273 57.821 59.018 0.127 0.000 2.230 372 C CB 0.148 27.898 27.740 0.015 0.000 2.443 372 C HN 0.581 nan 8.230 nan 0.000 0.556 373 A N 1.884 124.771 122.820 0.112 0.000 2.486 373 A HA 0.734 5.049 4.320 -0.008 0.000 0.300 373 A C -1.505 176.158 177.584 0.131 0.000 1.048 373 A CA -0.404 51.650 52.037 0.028 0.000 0.696 373 A CB 0.977 20.026 19.000 0.082 0.000 1.278 373 A HN 0.946 nan 8.150 nan 0.000 0.405 374 Y N 1.245 121.499 120.300 -0.077 0.000 2.409 374 Y HA 0.668 5.213 4.550 -0.007 0.000 0.343 374 Y C -0.472 175.413 175.900 -0.025 0.000 0.973 374 Y CA -0.297 57.770 58.100 -0.055 0.000 1.064 374 Y CB 2.089 40.476 38.460 -0.121 0.000 1.207 374 Y HN 0.565 nan 8.280 nan 0.000 0.452 375 T N 6.519 120.808 114.554 -0.442 0.000 2.770 375 T HA 0.205 4.550 4.350 -0.008 0.000 0.283 375 T C -0.896 173.294 174.700 -0.849 0.000 0.988 375 T CA -0.846 60.942 62.100 -0.520 0.000 0.957 375 T CB 0.510 69.317 68.868 -0.102 0.000 0.930 375 T HN 0.659 nan 8.240 nan 0.000 0.443 376 N N 1.660 119.895 118.700 -0.776 0.000 2.473 376 N HA 0.151 4.886 4.740 -0.008 0.000 0.291 376 N C -0.020 175.317 175.510 -0.289 0.000 1.083 376 N CA -0.356 52.465 53.050 -0.381 0.000 0.951 376 N CB 0.843 39.305 38.487 -0.042 0.000 1.164 376 N HN 0.664 nan 8.380 nan 0.000 0.480 377 H N 0.920 120.004 119.070 0.022 0.000 2.893 377 H HA 0.177 4.728 4.556 -0.008 0.000 0.270 377 H C -0.219 175.012 175.328 -0.162 0.000 1.095 377 H CA -0.000 56.006 56.048 -0.070 0.000 1.186 377 H CB 1.112 30.844 29.762 -0.049 0.000 1.562 377 H HN 0.532 nan 8.280 nan 0.000 0.536 378 T N 0.246 114.808 114.554 0.012 0.000 2.893 378 T HA 0.194 4.539 4.350 -0.008 0.000 0.337 378 T C 0.434 175.138 174.700 0.007 0.000 1.587 378 T CA -0.366 61.694 62.100 -0.068 0.000 1.066 378 T CB 1.183 70.000 68.868 -0.085 0.000 1.414 378 T HN -0.047 nan 8.240 nan 0.000 0.488 379 V N 1.439 121.327 119.914 -0.043 0.000 3.578 379 V HA 0.541 4.656 4.120 -0.008 0.000 0.290 379 V C 0.685 176.738 176.094 -0.068 0.000 1.376 379 V CA -0.139 62.125 62.300 -0.061 0.000 1.083 379 V CB -0.096 31.691 31.823 -0.059 0.000 0.911 379 V HN 0.724 nan 8.190 nan 0.000 0.433 380 I N 4.197 124.719 120.570 -0.079 0.000 2.587 380 I HA 0.183 4.349 4.170 -0.008 0.000 0.284 380 I C -0.438 175.674 176.117 -0.009 0.000 1.134 380 I CA -1.953 59.325 61.300 -0.038 0.000 1.410 380 I CB 0.841 38.802 38.000 -0.064 0.000 1.392 380 I HN 0.177 nan 8.210 nan 0.000 0.545 381 P HA -0.211 nan 4.420 nan 0.000 0.216 381 P C 1.014 178.312 177.300 -0.004 0.000 1.150 381 P CA 1.448 64.548 63.100 0.001 0.000 0.843 381 P CB 0.098 31.807 31.700 0.016 0.000 0.787 382 E N 0.394 120.628 120.200 0.056 0.000 2.409 382 E HA -0.074 4.272 4.350 -0.008 0.000 0.198 382 E C 1.666 178.237 176.600 -0.048 0.000 1.024 382 E CA 1.176 57.604 56.400 0.047 0.000 0.861 382 E CB -0.734 29.169 29.700 0.340 0.000 0.788 382 E HN 0.233 nan 8.360 nan 0.000 0.521 383 A N 0.713 123.533 122.820 0.001 0.000 2.147 383 A HA 0.206 4.521 4.320 -0.008 0.000 0.211 383 A C 0.947 178.508 177.584 -0.039 0.000 1.160 383 A CA -0.281 51.768 52.037 0.020 0.000 0.781 383 A CB 0.017 19.047 19.000 0.051 0.000 0.842 383 A HN 0.125 nan 8.150 nan 0.000 0.475 384 L N 1.551 122.708 121.223 -0.110 0.000 2.453 384 L HA 0.140 4.475 4.340 -0.008 0.000 0.272 384 L C 0.325 176.870 176.870 -0.541 0.000 1.182 384 L CA 0.382 55.103 54.840 -0.199 0.000 0.858 384 L CB 0.257 42.232 42.059 -0.141 0.000 1.120 384 L HN 0.296 nan 8.230 nan 0.000 0.474 385 E N 4.492 124.297 120.200 -0.659 0.000 2.223 385 E HA 0.257 4.603 4.350 -0.008 0.000 0.282 385 E C -0.456 175.501 176.600 -1.072 0.000 1.046 385 E CA -0.185 55.384 56.400 -1.385 0.000 0.857 385 E CB 0.573 29.812 29.700 -0.769 0.000 1.055 385 E HN 0.345 nan 8.360 nan 0.000 0.409 386 R N 3.935 123.627 120.500 -1.346 0.000 2.487 386 R HA 0.169 4.505 4.340 -0.008 0.000 0.288 386 R C -1.215 174.882 176.300 -0.339 0.000 1.394 386 R CA -0.595 55.174 56.100 -0.553 0.000 1.155 386 R CB 0.733 30.839 30.300 -0.324 0.000 1.156 386 R HN 0.455 nan 8.270 nan 0.000 0.553 387 W N 3.998 125.241 121.300 -0.096 0.000 2.266 387 W HA 0.225 4.880 4.660 -0.008 0.000 0.317 387 W C -1.914 174.578 176.519 -0.045 0.000 1.310 387 W CA -1.900 55.461 57.345 0.027 0.000 1.207 387 W CB 0.479 29.933 29.460 -0.010 0.000 1.199 387 W HN 0.222 nan 8.180 nan 0.000 0.544 388 P HA -0.071 nan 4.420 nan 0.000 0.267 388 P C 0.779 178.005 177.300 -0.124 0.000 1.205 388 P CA 0.151 63.209 63.100 -0.071 0.000 0.765 388 P CB 0.803 32.303 31.700 -0.334 0.000 0.828 389 V N 3.275 123.162 119.914 -0.046 0.000 2.392 389 V HA -0.285 3.831 4.120 -0.008 0.000 0.249 389 V C 2.104 178.198 176.094 0.001 0.000 1.059 389 V CA 2.502 64.803 62.300 0.001 0.000 1.051 389 V CB -1.714 30.172 31.823 0.106 0.000 0.658 389 V HN 0.760 nan 8.190 nan 0.000 0.455 390 H N -1.136 117.995 119.070 0.102 0.000 2.456 390 H HA -0.124 4.427 4.556 -0.008 0.000 0.296 390 H C 1.847 177.227 175.328 0.087 0.000 1.079 390 H CA 1.654 57.757 56.048 0.092 0.000 1.322 390 H CB -0.466 29.351 29.762 0.091 0.000 1.388 390 H HN 0.351 nan 8.280 nan 0.000 0.538 391 L N 0.249 121.375 121.223 -0.161 0.000 2.068 391 L HA 0.045 4.381 4.340 -0.008 0.000 0.204 391 L C 2.219 179.065 176.870 -0.039 0.000 1.076 391 L CA 1.196 56.031 54.840 -0.008 0.000 0.753 391 L CB -0.499 41.542 42.059 -0.030 0.000 0.910 391 L HN 0.379 nan 8.230 nan 0.000 0.439 392 L N -0.981 120.187 121.223 -0.092 0.000 2.141 392 L HA -0.192 4.143 4.340 -0.008 0.000 0.209 392 L C 2.447 179.262 176.870 -0.092 0.000 1.094 392 L CA 1.165 55.915 54.840 -0.149 0.000 0.763 392 L CB -0.494 41.461 42.059 -0.174 0.000 0.908 392 L HN 0.376 nan 8.230 nan 0.000 0.437 393 E N -0.220 119.969 120.200 -0.017 0.000 2.085 393 E HA -0.207 4.138 4.350 -0.008 0.000 0.194 393 E C 1.901 178.544 176.600 0.072 0.000 0.994 393 E CA 1.859 58.280 56.400 0.036 0.000 0.801 393 E CB 0.165 29.924 29.700 0.099 0.000 0.743 393 E HN 0.402 nan 8.360 nan 0.000 0.453 394 T N 0.518 115.138 114.554 0.111 0.000 2.894 394 T HA -0.046 4.299 4.350 -0.008 0.000 0.258 394 T C 1.665 176.486 174.700 0.201 0.000 1.043 394 T CA 0.533 62.748 62.100 0.191 0.000 1.141 394 T CB -0.046 68.967 68.868 0.242 0.000 0.873 394 T HN 0.062 nan 8.240 nan 0.000 0.449 395 L N 0.134 121.375 121.223 0.030 0.000 2.127 395 L HA 0.361 4.696 4.340 -0.008 0.000 0.203 395 L C 0.377 177.182 176.870 -0.107 0.000 1.080 395 L CA 1.571 56.311 54.840 -0.168 0.000 0.768 395 L CB 0.062 41.988 42.059 -0.222 0.000 0.924 395 L HN 0.157 nan 8.230 nan 0.000 0.444 396 L N 0.916 122.034 121.223 -0.176 0.000 2.594 396 L HA 0.294 4.629 4.340 -0.008 0.000 0.245 396 L C -1.625 175.068 176.870 -0.294 0.000 1.460 396 L CA -1.002 53.646 54.840 -0.320 0.000 0.865 396 L CB 0.840 42.551 42.059 -0.578 0.000 1.131 396 L HN -0.036 nan 8.230 nan 0.000 0.506 397 P HA -0.239 nan 4.420 nan 0.000 0.216 397 P C 1.445 178.560 177.300 -0.308 0.000 1.153 397 P CA 1.310 64.296 63.100 -0.190 0.000 0.858 397 P CB 0.406 32.067 31.700 -0.066 0.000 0.789 398 R N -0.256 119.877 120.500 -0.612 0.000 2.092 398 R HA -0.134 4.201 4.340 -0.008 0.000 0.231 398 R C 2.369 178.375 176.300 -0.491 0.000 1.119 398 R CA 1.650 57.394 56.100 -0.592 0.000 0.970 398 R CB -1.670 28.092 30.300 -0.897 0.000 0.864 398 R HN 0.261 nan 8.270 nan 0.000 0.440 399 H N -0.369 118.393 119.070 -0.514 0.000 2.421 399 H HA -0.032 4.520 4.556 -0.008 0.000 0.298 399 H C 1.777 176.934 175.328 -0.284 0.000 1.087 399 H CA 1.546 57.376 56.048 -0.363 0.000 1.330 399 H CB -0.093 29.417 29.762 -0.419 0.000 1.388 399 H HN 0.092 nan 8.280 nan 0.000 0.526 400 L N 0.488 121.593 121.223 -0.197 0.000 2.046 400 L HA -0.232 4.103 4.340 -0.008 0.000 0.208 400 L C 1.795 178.488 176.870 -0.294 0.000 1.077 400 L CA 1.545 56.203 54.840 -0.302 0.000 0.747 400 L CB -0.234 41.669 42.059 -0.260 0.000 0.896 400 L HN 0.451 nan 8.230 nan 0.000 0.432 401 Q N -0.322 119.414 119.800 -0.107 0.000 2.079 401 Q HA -0.213 4.122 4.340 -0.008 0.000 0.200 401 Q C 2.173 178.202 176.000 0.048 0.000 0.974 401 Q CA 1.484 57.316 55.803 0.049 0.000 0.840 401 Q CB -0.055 28.713 28.738 0.050 0.000 0.898 401 Q HN 0.557 nan 8.270 nan 0.000 0.430 402 I N 0.530 121.102 120.570 0.003 0.000 2.315 402 I HA -0.260 3.905 4.170 -0.008 0.000 0.248 402 I C 2.169 178.363 176.117 0.128 0.000 1.117 402 I CA 1.023 62.402 61.300 0.132 0.000 1.404 402 I CB -0.139 37.881 38.000 0.032 0.000 1.071 402 I HN 0.199 nan 8.210 nan 0.000 0.419 403 I N -0.452 120.109 120.570 -0.014 0.000 2.315 403 I HA -0.309 3.856 4.170 -0.008 0.000 0.248 403 I C 2.404 178.527 176.117 0.010 0.000 1.117 403 I CA 1.404 62.679 61.300 -0.042 0.000 1.404 403 I CB -0.346 37.555 38.000 -0.165 0.000 1.071 403 I HN 0.157 nan 8.210 nan 0.000 0.419 404 Y N 0.876 121.178 120.300 0.004 0.000 2.181 404 Y HA -0.270 4.276 4.550 -0.008 0.000 0.288 404 Y C 2.596 178.458 175.900 -0.063 0.000 1.146 404 Y CA 1.544 59.632 58.100 -0.020 0.000 1.164 404 Y CB -0.748 37.694 38.460 -0.030 0.000 0.982 404 Y HN 0.189 nan 8.280 nan 0.000 0.515 405 E N 0.424 120.658 120.200 0.057 0.000 2.072 405 E HA -0.147 4.198 4.350 -0.008 0.000 0.191 405 E C 2.057 178.555 176.600 -0.170 0.000 0.985 405 E CA 1.304 57.587 56.400 -0.195 0.000 0.801 405 E CB -0.546 28.860 29.700 -0.489 0.000 0.750 405 E HN 0.477 nan 8.360 nan 0.000 0.452 406 I N 0.610 121.187 120.570 0.012 0.000 2.179 406 I HA -0.290 3.875 4.170 -0.008 0.000 0.242 406 I C 2.287 178.400 176.117 -0.007 0.000 1.088 406 I CA 1.438 62.708 61.300 -0.050 0.000 1.357 406 I CB -0.419 37.565 38.000 -0.027 0.000 1.051 406 I HN 0.224 nan 8.210 nan 0.000 0.409 407 N N 0.742 119.486 118.700 0.073 0.000 2.069 407 N HA -0.269 4.467 4.740 -0.008 0.000 0.191 407 N C 1.867 177.461 175.510 0.140 0.000 1.031 407 N CA 1.574 54.719 53.050 0.158 0.000 0.852 407 N CB -0.133 38.465 38.487 0.184 0.000 1.018 407 N HN 0.283 nan 8.380 nan 0.000 0.423 408 Q N -0.079 119.747 119.800 0.044 0.000 2.030 408 Q HA -0.121 4.215 4.340 -0.008 0.000 0.204 408 Q C 2.067 178.047 176.000 -0.032 0.000 0.986 408 Q CA 1.567 57.359 55.803 -0.017 0.000 0.843 408 Q CB 0.003 28.688 28.738 -0.089 0.000 0.904 408 Q HN 0.370 nan 8.270 nan 0.000 0.420 409 R N -0.791 119.664 120.500 -0.076 0.000 2.092 409 R HA -0.127 4.209 4.340 -0.008 0.000 0.231 409 R C 2.139 178.462 176.300 0.039 0.000 1.119 409 R CA 1.288 57.343 56.100 -0.075 0.000 0.970 409 R CB -0.344 29.854 30.300 -0.171 0.000 0.864 409 R HN 0.272 nan 8.270 nan 0.000 0.440 410 F N 1.443 121.368 119.950 -0.042 0.000 2.113 410 F HA -0.104 4.418 4.527 -0.008 0.000 0.297 410 F C 1.810 177.637 175.800 0.045 0.000 1.103 410 F CA 1.359 59.386 58.000 0.044 0.000 1.248 410 F CB -0.209 38.849 39.000 0.097 0.000 0.999 410 F HN -0.115 nan 8.300 nan 0.000 0.475 411 L N -0.003 121.237 121.223 0.029 0.000 2.191 411 L HA -0.231 4.104 4.340 -0.008 0.000 0.212 411 L C 1.969 178.776 176.870 -0.105 0.000 1.103 411 L CA 1.480 56.274 54.840 -0.075 0.000 0.769 411 L CB -0.875 41.202 42.059 0.031 0.000 0.908 411 L HN 0.268 nan 8.230 nan 0.000 0.438 412 N N -0.247 118.408 118.700 -0.076 0.000 2.244 412 N HA -0.134 4.602 4.740 -0.008 0.000 0.183 412 N C 1.905 177.359 175.510 -0.093 0.000 1.016 412 N CA 0.614 53.621 53.050 -0.072 0.000 0.866 412 N CB 0.057 38.508 38.487 -0.061 0.000 0.980 412 N HN 0.304 nan 8.380 nan 0.000 0.430 413 R N 0.510 120.934 120.500 -0.127 0.000 2.075 413 R HA -0.021 4.314 4.340 -0.008 0.000 0.232 413 R C 2.169 178.364 176.300 -0.176 0.000 1.126 413 R CA 0.782 56.801 56.100 -0.135 0.000 0.963 413 R CB -0.255 29.968 30.300 -0.128 0.000 0.858 413 R HN 0.073 nan 8.270 nan 0.000 0.435 414 V N 1.035 120.796 119.914 -0.255 0.000 2.307 414 V HA -0.223 3.892 4.120 -0.008 0.000 0.245 414 V C 2.447 178.531 176.094 -0.018 0.000 1.045 414 V CA 1.957 64.171 62.300 -0.143 0.000 1.024 414 V CB -0.721 30.959 31.823 -0.238 0.000 0.651 414 V HN 0.387 nan 8.190 nan 0.000 0.449 415 A N 0.028 122.815 122.820 -0.055 0.000 1.940 415 A HA -0.130 4.185 4.320 -0.008 0.000 0.219 415 A C 2.362 179.921 177.584 -0.041 0.000 1.176 415 A CA 2.149 54.171 52.037 -0.025 0.000 0.631 415 A CB -0.666 18.312 19.000 -0.038 0.000 0.814 415 A HN 0.586 nan 8.150 nan 0.000 0.446 416 A N -0.707 122.067 122.820 -0.077 0.000 1.970 416 A HA 0.341 4.657 4.320 -0.008 0.000 0.216 416 A C 2.344 179.832 177.584 -0.159 0.000 1.170 416 A CA 1.599 53.578 52.037 -0.095 0.000 0.645 416 A CB -0.615 18.334 19.000 -0.087 0.000 0.816 416 A HN 0.947 nan 8.150 nan 0.000 0.447 417 A N -1.594 121.081 122.820 -0.241 0.000 1.975 417 A HA 0.392 4.708 4.320 -0.008 0.000 0.215 417 A C 0.390 177.503 177.584 -0.784 0.000 1.170 417 A CA 0.494 52.211 52.037 -0.533 0.000 0.656 417 A CB -0.133 18.462 19.000 -0.675 0.000 0.821 417 A HN 0.404 nan 8.150 nan 0.000 0.449 418 F N -0.056 119.848 119.950 -0.077 0.000 2.622 418 F HA 0.350 4.872 4.527 -0.008 0.000 0.338 418 F C -2.799 172.965 175.800 -0.061 0.000 1.334 418 F CA -2.923 55.037 58.000 -0.068 0.000 1.179 418 F CB 0.712 39.663 39.000 -0.081 0.000 1.471 418 F HN -0.077 nan 8.300 nan 0.000 0.576 419 P HA 0.169 nan 4.420 nan 0.000 0.262 419 P C 1.016 178.336 177.300 0.034 0.000 1.182 419 P CA 1.166 64.277 63.100 0.019 0.000 0.761 419 P CB 0.790 32.482 31.700 -0.012 0.000 0.795 420 G N 2.785 111.597 108.800 0.021 0.000 2.234 420 G HA2 -0.254 3.702 3.960 -0.008 0.000 0.260 420 G HA3 -0.254 3.702 3.960 -0.008 0.000 0.260 420 G C 0.411 175.321 174.900 0.016 0.000 0.987 420 G CA 0.063 45.172 45.100 0.014 0.000 0.625 420 G HN 0.601 nan 8.290 nan 0.000 0.532 421 D N 1.582 122.000 120.400 0.030 0.000 2.551 421 D HA 0.364 5.000 4.640 -0.008 0.000 0.223 421 D C 2.149 178.441 176.300 -0.014 0.000 1.144 421 D CA 0.439 54.442 54.000 0.004 0.000 1.025 421 D CB 0.308 41.108 40.800 -0.000 0.000 1.085 421 D HN 0.627 nan 8.370 nan 0.000 0.506 422 V N 0.527 120.434 119.914 -0.011 0.000 2.490 422 V HA -0.169 3.947 4.120 -0.008 0.000 0.250 422 V C 1.564 177.647 176.094 -0.018 0.000 1.061 422 V CA 1.282 63.575 62.300 -0.012 0.000 1.064 422 V CB -0.246 31.573 31.823 -0.007 0.000 0.670 422 V HN 0.146 nan 8.190 nan 0.000 0.461 423 D N 0.570 120.955 120.400 -0.025 0.000 2.144 423 D HA -0.146 4.490 4.640 -0.008 0.000 0.199 423 D C 2.305 178.578 176.300 -0.045 0.000 0.984 423 D CA 1.794 55.778 54.000 -0.027 0.000 0.834 423 D CB -0.332 40.450 40.800 -0.029 0.000 0.955 423 D HN 0.529 nan 8.370 nan 0.000 0.465 424 R N 0.107 120.556 120.500 -0.084 0.000 2.096 424 R HA -0.133 4.203 4.340 -0.008 0.000 0.235 424 R C 2.037 178.275 176.300 -0.104 0.000 1.127 424 R CA 0.717 56.732 56.100 -0.142 0.000 0.968 424 R CB -0.238 29.918 30.300 -0.240 0.000 0.861 424 R HN 0.060 nan 8.270 nan 0.000 0.440 425 L N 1.522 122.709 121.223 -0.060 0.000 2.012 425 L HA -0.219 4.117 4.340 -0.008 0.000 0.210 425 L C 2.633 179.512 176.870 0.014 0.000 1.073 425 L CA 2.211 57.035 54.840 -0.027 0.000 0.748 425 L CB -0.810 41.242 42.059 -0.012 0.000 0.891 425 L HN 0.297 nan 8.230 nan 0.000 0.431 426 R N -0.853 119.659 120.500 0.020 0.000 2.092 426 R HA -0.110 4.225 4.340 -0.008 0.000 0.231 426 R C 2.220 178.571 176.300 0.086 0.000 1.119 426 R CA 1.180 57.312 56.100 0.054 0.000 0.970 426 R CB -0.545 29.780 30.300 0.042 0.000 0.864 426 R HN 0.249 nan 8.270 nan 0.000 0.440 427 R N 0.326 120.858 120.500 0.053 0.000 2.092 427 R HA 0.047 4.382 4.340 -0.008 0.000 0.231 427 R C 2.171 178.549 176.300 0.129 0.000 1.119 427 R CA 1.799 57.953 56.100 0.089 0.000 0.970 427 R CB -0.188 30.123 30.300 0.019 0.000 0.864 427 R HN 0.339 nan 8.270 nan 0.000 0.440 428 M N 0.276 119.878 119.600 0.003 0.000 2.541 428 M HA 0.039 4.514 4.480 -0.008 0.000 0.252 428 M C 0.869 177.330 176.300 0.269 0.000 1.125 428 M CA 0.009 55.275 55.300 -0.057 0.000 1.091 428 M CB 0.405 32.819 32.600 -0.309 0.000 1.420 428 M HN -0.075 nan 8.290 nan 0.000 0.486 429 S N 0.789 116.650 115.700 0.269 0.000 2.558 429 S HA 0.014 4.480 4.470 -0.008 0.000 0.288 429 S C 0.939 175.786 174.600 0.412 0.000 1.318 429 S CA -0.354 58.030 58.200 0.308 0.000 1.056 429 S CB 0.627 63.952 63.200 0.209 0.000 0.853 429 S HN 0.242 nan 8.310 nan 0.000 0.505 430 L N 5.094 126.509 121.223 0.321 0.000 2.395 430 L HA 0.198 4.533 4.340 -0.008 0.000 0.218 430 L C 0.315 177.286 176.870 0.168 0.000 1.130 430 L CA 0.751 55.738 54.840 0.245 0.000 0.826 430 L CB -0.327 41.816 42.059 0.140 0.000 0.941 430 L HN 0.487 nan 8.230 nan 0.000 0.451 431 V N 0.044 120.072 119.914 0.189 0.000 2.370 431 V HA 0.222 4.338 4.120 -0.008 0.000 0.279 431 V C 0.184 176.363 176.094 0.141 0.000 1.029 431 V CA -0.960 61.438 62.300 0.164 0.000 0.870 431 V CB 1.253 33.210 31.823 0.223 0.000 0.984 431 V HN 0.125 nan 8.190 nan 0.000 0.451 432 E N 3.136 123.398 120.200 0.102 0.000 2.227 432 E HA 0.392 4.738 4.350 -0.008 0.000 0.282 432 E C -0.592 176.058 176.600 0.083 0.000 1.015 432 E CA -0.464 55.988 56.400 0.086 0.000 0.823 432 E CB 2.005 31.735 29.700 0.049 0.000 1.081 432 E HN 0.624 nan 8.360 nan 0.000 0.396 433 E N 0.711 120.958 120.200 0.078 0.000 2.292 433 E HA 0.641 4.986 4.350 -0.008 0.000 0.258 433 E C 0.132 176.769 176.600 0.061 0.000 1.115 433 E CA 0.322 56.764 56.400 0.069 0.000 0.929 433 E CB 1.380 31.116 29.700 0.060 0.000 1.161 433 E HN 0.638 nan 8.360 nan 0.000 0.453 434 G N -0.680 108.155 108.800 0.058 0.000 2.293 434 G HA2 0.199 4.154 3.960 -0.008 0.000 0.282 434 G HA3 0.199 4.154 3.960 -0.008 0.000 0.282 434 G C 0.534 175.469 174.900 0.058 0.000 1.299 434 G CA 0.257 45.389 45.100 0.053 0.000 1.018 434 G HN 0.681 nan 8.290 nan 0.000 0.478 435 A N -0.892 121.962 122.820 0.056 0.000 1.873 435 A HA 0.222 4.537 4.320 -0.008 0.000 0.219 435 A C 1.828 179.458 177.584 0.076 0.000 1.269 435 A CA 4.645 56.718 52.037 0.060 0.000 0.671 435 A CB -1.310 17.726 19.000 0.060 0.000 0.842 435 A HN 2.463 nan 8.150 nan 0.000 0.460 436 V N -3.566 116.402 119.914 0.091 0.000 2.604 436 V HA 0.573 4.688 4.120 -0.008 0.000 0.305 436 V C -0.542 175.618 176.094 0.109 0.000 1.043 436 V CA -1.400 60.973 62.300 0.122 0.000 0.888 436 V CB 1.646 33.568 31.823 0.165 0.000 0.995 436 V HN 0.348 nan 8.190 nan 0.000 0.429 437 K N 4.039 124.511 120.400 0.119 0.000 2.401 437 K HA 0.493 4.808 4.320 -0.008 0.000 0.278 437 K C -0.395 176.261 176.600 0.093 0.000 1.018 437 K CA -0.146 56.207 56.287 0.109 0.000 0.981 437 K CB 0.898 33.477 32.500 0.133 0.000 0.933 437 K HN 0.745 nan 8.250 nan 0.000 0.477 438 R N 1.482 122.027 120.500 0.075 0.000 2.808 438 R HA 0.489 4.825 4.340 -0.008 0.000 0.272 438 R C -0.622 175.703 176.300 0.043 0.000 0.995 438 R CA -1.020 55.111 56.100 0.051 0.000 0.917 438 R CB 1.318 31.630 30.300 0.020 0.000 1.217 438 R HN 0.363 nan 8.270 nan 0.000 0.471 439 I N 1.873 122.463 120.570 0.034 0.000 2.354 439 I HA 0.169 4.334 4.170 -0.008 0.000 0.292 439 I C -0.241 175.848 176.117 -0.046 0.000 0.989 439 I CA -0.731 60.577 61.300 0.012 0.000 1.188 439 I CB 1.280 39.288 38.000 0.013 0.000 1.342 439 I HN 0.519 nan 8.210 nan 0.000 0.457 440 N N 7.200 125.842 118.700 -0.095 0.000 2.439 440 N HA 0.098 4.834 4.740 -0.008 0.000 0.243 440 N C 0.812 176.204 175.510 -0.195 0.000 1.088 440 N CA -0.350 52.559 53.050 -0.234 0.000 0.940 440 N CB 0.962 39.165 38.487 -0.474 0.000 1.180 440 N HN 0.376 nan 8.380 nan 0.000 0.505 441 M N 2.354 121.849 119.600 -0.174 0.000 2.279 441 M HA -0.071 4.404 4.480 -0.008 0.000 0.264 441 M C 1.898 178.044 176.300 -0.257 0.000 1.062 441 M CA 0.703 55.917 55.300 -0.143 0.000 1.099 441 M CB -1.527 31.041 32.600 -0.052 0.000 1.394 441 M HN 0.599 nan 8.290 nan 0.000 0.426 442 A N -0.461 122.196 122.820 -0.272 0.000 1.898 442 A HA -0.165 4.151 4.320 -0.008 0.000 0.216 442 A C 1.978 179.303 177.584 -0.432 0.000 1.181 442 A CA 1.417 53.246 52.037 -0.346 0.000 0.620 442 A CB -1.105 17.887 19.000 -0.014 0.000 0.819 442 A HN 0.595 nan 8.150 nan 0.000 0.442 443 H N -1.489 117.333 119.070 -0.414 0.000 2.389 443 H HA -0.092 4.459 4.556 -0.008 0.000 0.299 443 H C 2.077 177.138 175.328 -0.444 0.000 1.081 443 H CA 1.062 56.806 56.048 -0.507 0.000 1.345 443 H CB 0.005 29.685 29.762 -0.135 0.000 1.393 443 H HN 0.438 nan 8.280 nan 0.000 0.520 444 L N 0.584 121.696 121.223 -0.185 0.000 2.046 444 L HA -0.155 4.180 4.340 -0.008 0.000 0.208 444 L C 2.207 178.928 176.870 -0.249 0.000 1.077 444 L CA 1.431 56.169 54.840 -0.170 0.000 0.747 444 L CB -0.721 41.273 42.059 -0.108 0.000 0.896 444 L HN 0.280 nan 8.230 nan 0.000 0.432 445 C N -0.393 118.660 119.300 -0.412 0.000 2.425 445 C HA -0.098 4.357 4.460 -0.008 0.000 0.277 445 C C 2.716 177.441 174.990 -0.441 0.000 1.280 445 C CA 0.886 59.592 59.018 -0.521 0.000 1.744 445 C CB -0.902 26.168 27.740 -1.116 0.000 1.989 445 C HN 0.604 nan 8.230 nan 0.000 0.491 446 I N 1.311 121.565 120.570 -0.527 0.000 2.202 446 I HA -0.172 3.994 4.170 -0.008 0.000 0.242 446 I C 2.768 178.716 176.117 -0.282 0.000 1.091 446 I CA 1.572 62.607 61.300 -0.441 0.000 1.368 446 I CB -0.589 36.999 38.000 -0.686 0.000 1.058 446 I HN 0.252 nan 8.210 nan 0.000 0.410 447 A N 0.665 123.287 122.820 -0.330 0.000 1.933 447 A HA -0.107 4.208 4.320 -0.008 0.000 0.218 447 A C 2.206 179.821 177.584 0.051 0.000 1.175 447 A CA 1.896 53.796 52.037 -0.229 0.000 0.628 447 A CB -1.157 17.508 19.000 -0.558 0.000 0.814 447 A HN 0.480 nan 8.150 nan 0.000 0.444 448 G N -1.170 107.602 108.800 -0.047 0.000 3.284 448 G HA2 0.413 4.368 3.960 -0.008 0.000 0.236 448 G HA3 0.413 4.368 3.960 -0.008 0.000 0.236 448 G C 0.109 174.843 174.900 -0.275 0.000 1.158 448 G CA 0.482 45.438 45.100 -0.240 0.000 0.774 448 G HN 0.347 nan 8.290 nan 0.000 0.545 449 S N -0.345 115.246 115.700 -0.181 0.000 2.536 449 S HA 0.335 4.801 4.470 -0.008 0.000 0.298 449 S C 0.672 175.215 174.600 -0.095 0.000 1.083 449 S CA -0.715 57.410 58.200 -0.125 0.000 0.995 449 S CB 1.279 64.410 63.200 -0.115 0.000 1.058 449 S HN 0.503 nan 8.310 nan 0.000 0.488 450 H N -0.169 118.852 119.070 -0.082 0.000 2.548 450 H HA 0.532 5.083 4.556 -0.008 0.000 0.265 450 H C 0.062 175.358 175.328 -0.054 0.000 0.969 450 H CA 0.187 56.209 56.048 -0.043 0.000 1.155 450 H CB 0.128 29.886 29.762 -0.006 0.000 1.394 450 H HN 0.509 nan 8.280 nan 0.000 0.570 451 A N 0.896 123.386 122.820 -0.550 0.000 2.488 451 A HA 0.556 4.872 4.320 -0.008 0.000 0.298 451 A C -1.489 175.888 177.584 -0.344 0.000 1.044 451 A CA -0.561 51.205 52.037 -0.452 0.000 0.693 451 A CB 2.143 20.831 19.000 -0.521 0.000 1.272 451 A HN 0.092 nan 8.150 nan 0.000 0.402 452 V N 4.165 123.850 119.914 -0.382 0.000 2.577 452 V HA 0.557 4.673 4.120 -0.008 0.000 0.303 452 V C -0.818 175.112 176.094 -0.274 0.000 1.042 452 V CA -0.752 61.340 62.300 -0.348 0.000 0.872 452 V CB 1.862 33.349 31.823 -0.561 0.000 0.998 452 V HN 1.026 nan 8.190 nan 0.000 0.423 453 N N 3.080 121.636 118.700 -0.240 0.000 2.229 453 N HA 0.609 5.344 4.740 -0.008 0.000 0.298 453 N C -0.291 175.131 175.510 -0.146 0.000 1.114 453 N CA -0.382 52.565 53.050 -0.171 0.000 0.776 453 N CB 2.853 41.211 38.487 -0.216 0.000 1.501 453 N HN 0.641 nan 8.380 nan 0.000 0.474 454 G N -0.783 107.962 108.800 -0.090 0.000 2.522 454 G HA2 0.421 4.377 3.960 -0.008 0.000 0.304 454 G HA3 0.421 4.377 3.960 -0.008 0.000 0.304 454 G C 0.751 175.723 174.900 0.119 0.000 1.210 454 G CA -0.546 44.544 45.100 -0.017 0.000 0.960 454 G HN 0.633 nan 8.290 nan 0.000 0.497 455 V N -3.386 116.721 119.914 0.323 0.000 3.376 455 V HA 0.691 4.806 4.120 -0.008 0.000 0.313 455 V C 0.548 176.728 176.094 0.143 0.000 1.393 455 V CA 0.265 62.660 62.300 0.158 0.000 1.125 455 V CB -0.836 31.040 31.823 0.089 0.000 1.037 455 V HN 1.332 nan 8.190 nan 0.000 0.440 456 A N -0.101 122.812 122.820 0.155 0.000 2.594 456 A HA 0.620 4.935 4.320 -0.008 0.000 0.296 456 A C 0.692 178.326 177.584 0.084 0.000 1.056 456 A CA -0.119 51.986 52.037 0.113 0.000 0.693 456 A CB 1.217 20.273 19.000 0.093 0.000 1.278 456 A HN 0.049 nan 8.150 nan 0.000 0.408 457 R N 1.129 121.658 120.500 0.048 0.000 2.112 457 R HA -0.186 4.149 4.340 -0.008 0.000 0.242 457 R C 1.675 177.973 176.300 -0.003 0.000 1.137 457 R CA 2.403 58.509 56.100 0.010 0.000 0.944 457 R CB -0.253 30.049 30.300 0.002 0.000 0.857 457 R HN 0.837 nan 8.270 nan 0.000 0.435 458 I N 0.211 120.788 120.570 0.011 0.000 2.286 458 I HA -0.295 3.870 4.170 -0.008 0.000 0.248 458 I C 2.348 178.472 176.117 0.012 0.000 1.115 458 I CA 1.867 63.165 61.300 -0.002 0.000 1.392 458 I CB -0.236 37.763 38.000 -0.002 0.000 1.065 458 I HN 0.363 nan 8.210 nan 0.000 0.418 459 H N 0.341 119.380 119.070 -0.052 0.000 2.326 459 H HA -0.115 4.436 4.556 -0.008 0.000 0.301 459 H C 2.275 177.563 175.328 -0.068 0.000 1.081 459 H CA 2.185 58.196 56.048 -0.062 0.000 1.334 459 H CB -0.315 29.417 29.762 -0.051 0.000 1.385 459 H HN 0.237 nan 8.280 nan 0.000 0.504 460 S N 0.419 115.982 115.700 -0.228 0.000 2.382 460 S HA -0.132 4.334 4.470 -0.008 0.000 0.228 460 S C 1.906 176.372 174.600 -0.223 0.000 1.027 460 S CA 1.244 59.290 58.200 -0.256 0.000 0.991 460 S CB -0.082 63.050 63.200 -0.114 0.000 0.823 460 S HN 0.483 nan 8.310 nan 0.000 0.469 461 E N 1.178 121.275 120.200 -0.172 0.000 2.072 461 E HA -0.000 4.345 4.350 -0.008 0.000 0.191 461 E C 2.032 178.509 176.600 -0.205 0.000 0.985 461 E CA 0.666 56.957 56.400 -0.183 0.000 0.801 461 E CB -0.371 29.255 29.700 -0.123 0.000 0.750 461 E HN 0.507 nan 8.360 nan 0.000 0.452 462 I N 0.987 121.452 120.570 -0.176 0.000 2.286 462 I HA -0.267 3.898 4.170 -0.008 0.000 0.248 462 I C 2.392 178.372 176.117 -0.228 0.000 1.115 462 I CA 0.740 61.942 61.300 -0.164 0.000 1.392 462 I CB -0.236 37.702 38.000 -0.104 0.000 1.065 462 I HN 0.066 nan 8.210 nan 0.000 0.418 463 L N 0.440 121.482 121.223 -0.301 0.000 2.046 463 L HA -0.227 4.109 4.340 -0.008 0.000 0.208 463 L C 2.483 179.199 176.870 -0.257 0.000 1.077 463 L CA 1.588 56.241 54.840 -0.312 0.000 0.747 463 L CB -0.531 41.394 42.059 -0.222 0.000 0.896 463 L HN 0.202 nan 8.230 nan 0.000 0.432 464 K N -0.017 120.170 120.400 -0.354 0.000 2.217 464 K HA -0.103 4.212 4.320 -0.008 0.000 0.202 464 K C 1.977 178.366 176.600 -0.350 0.000 1.051 464 K CA 0.901 56.856 56.287 -0.554 0.000 0.952 464 K CB 0.081 32.002 32.500 -0.965 0.000 0.736 464 K HN 0.314 nan 8.250 nan 0.000 0.453 465 K N -0.020 120.231 120.400 -0.247 0.000 2.262 465 K HA -0.016 4.299 4.320 -0.008 0.000 0.200 465 K C 1.875 178.415 176.600 -0.100 0.000 1.049 465 K CA 1.329 57.528 56.287 -0.148 0.000 0.979 465 K CB 0.434 32.858 32.500 -0.126 0.000 0.773 465 K HN 0.236 nan 8.250 nan 0.000 0.474 466 T N -1.354 113.130 114.554 -0.116 0.000 3.257 466 T HA 0.124 4.469 4.350 -0.008 0.000 0.176 466 T C 1.721 176.379 174.700 -0.071 0.000 0.892 466 T CA -0.417 61.632 62.100 -0.086 0.000 1.147 466 T CB -0.727 68.084 68.868 -0.095 0.000 1.840 466 T HN 0.013 nan 8.240 nan 0.000 0.375 467 I N 0.360 120.833 120.570 -0.160 0.000 2.181 467 I HA -0.114 4.051 4.170 -0.008 0.000 0.247 467 I C 1.022 177.150 176.117 0.018 0.000 1.081 467 I CA 1.837 63.011 61.300 -0.210 0.000 1.340 467 I CB -0.104 37.560 38.000 -0.560 0.000 1.036 467 I HN 0.436 nan 8.210 nan 0.000 0.417 468 F N -0.087 119.927 119.950 0.106 0.000 2.708 468 F HA 0.175 4.697 4.527 -0.008 0.000 0.300 468 F C 1.775 177.645 175.800 0.115 0.000 1.118 468 F CA -0.586 57.550 58.000 0.227 0.000 1.307 468 F CB 0.074 39.202 39.000 0.214 0.000 0.986 468 F HN -0.071 nan 8.300 nan 0.000 0.522 469 K N 1.120 121.623 120.400 0.172 0.000 2.044 469 K HA -0.225 4.090 4.320 -0.008 0.000 0.210 469 K C 1.375 178.021 176.600 0.076 0.000 1.049 469 K CA 2.263 58.593 56.287 0.071 0.000 0.927 469 K CB -0.025 32.485 32.500 0.017 0.000 0.713 469 K HN 0.164 nan 8.250 nan 0.000 0.443 470 D N -0.158 120.251 120.400 0.016 0.000 2.123 470 D HA -0.170 4.465 4.640 -0.008 0.000 0.196 470 D C 1.836 178.026 176.300 -0.185 0.000 0.992 470 D CA 1.285 55.166 54.000 -0.199 0.000 0.833 470 D CB -0.298 40.274 40.800 -0.380 0.000 0.954 470 D HN 0.252 nan 8.370 nan 0.000 0.455 471 F N -0.128 119.901 119.950 0.131 0.000 2.186 471 F HA -0.138 4.385 4.527 -0.008 0.000 0.299 471 F C 2.345 178.317 175.800 0.286 0.000 1.090 471 F CA 0.478 58.636 58.000 0.263 0.000 1.307 471 F CB -0.696 38.517 39.000 0.354 0.000 1.019 471 F HN -0.033 nan 8.300 nan 0.000 0.489 472 Y N 1.463 121.773 120.300 0.016 0.000 2.181 472 Y HA -0.194 4.351 4.550 -0.008 0.000 0.288 472 Y C 2.086 178.007 175.900 0.035 0.000 1.146 472 Y CA 1.655 59.615 58.100 -0.234 0.000 1.164 472 Y CB -0.610 37.513 38.460 -0.562 0.000 0.982 472 Y HN 0.149 nan 8.280 nan 0.000 0.515 473 E N -0.190 119.978 120.200 -0.053 0.000 2.150 473 E HA -0.177 4.168 4.350 -0.008 0.000 0.193 473 E C 2.193 178.863 176.600 0.116 0.000 0.985 473 E CA 0.922 57.294 56.400 -0.047 0.000 0.814 473 E CB -0.187 29.521 29.700 0.014 0.000 0.752 473 E HN 0.429 nan 8.360 nan 0.000 0.466 474 L N 0.859 122.191 121.223 0.181 0.000 2.095 474 L HA -0.025 4.311 4.340 -0.008 0.000 0.204 474 L C 0.159 177.135 176.870 0.176 0.000 1.080 474 L CA 1.547 56.532 54.840 0.241 0.000 0.759 474 L CB 0.155 42.350 42.059 0.227 0.000 0.914 474 L HN 0.023 nan 8.230 nan 0.000 0.439 475 E N 0.369 120.677 120.200 0.180 0.000 3.132 475 E HA 0.167 4.512 4.350 -0.008 0.000 0.241 475 E C -1.894 174.696 176.600 -0.017 0.000 1.196 475 E CA -1.333 55.112 56.400 0.076 0.000 0.869 475 E CB 1.033 30.748 29.700 0.025 0.000 1.387 475 E HN 0.213 nan 8.360 nan 0.000 0.393 476 P HA -0.251 nan 4.420 nan 0.000 0.218 476 P C 1.201 178.606 177.300 0.175 0.000 1.148 476 P CA 1.417 64.465 63.100 -0.088 0.000 0.822 476 P CB -0.012 31.498 31.700 -0.317 0.000 0.784 477 H N 0.408 119.568 119.070 0.150 0.000 2.489 477 H HA 0.029 4.580 4.556 -0.008 0.000 0.293 477 H C 1.499 176.899 175.328 0.120 0.000 1.066 477 H CA 0.901 57.027 56.048 0.130 0.000 1.305 477 H CB -0.863 28.950 29.762 0.085 0.000 1.386 477 H HN 0.176 nan 8.280 nan 0.000 0.551 478 K N 0.292 120.518 120.400 -0.291 0.000 2.217 478 K HA 0.017 4.333 4.320 -0.008 0.000 0.202 478 K C -0.071 176.331 176.600 -0.329 0.000 1.051 478 K CA 0.300 56.402 56.287 -0.309 0.000 0.952 478 K CB 0.031 32.235 32.500 -0.494 0.000 0.736 478 K HN 0.107 nan 8.250 nan 0.000 0.453 479 F N 1.929 121.901 119.950 0.036 0.000 2.445 479 F HA 0.143 4.665 4.527 -0.008 0.000 0.359 479 F C 0.543 176.348 175.800 0.009 0.000 1.101 479 F CA -0.007 58.025 58.000 0.053 0.000 1.177 479 F CB 0.779 39.876 39.000 0.162 0.000 1.110 479 F HN -0.078 nan 8.300 nan 0.000 0.522 480 Q N 1.790 121.617 119.800 0.045 0.000 2.587 480 Q HA 0.378 4.713 4.340 -0.008 0.000 0.293 480 Q C -1.129 174.833 176.000 -0.063 0.000 1.083 480 Q CA -1.278 54.508 55.803 -0.028 0.000 0.792 480 Q CB 3.059 31.724 28.738 -0.121 0.000 1.484 480 Q HN 0.624 nan 8.270 nan 0.000 0.446 481 N N 0.608 119.252 118.700 -0.094 0.000 2.238 481 N HA 0.289 5.024 4.740 -0.008 0.000 0.302 481 N C -1.531 173.884 175.510 -0.158 0.000 1.072 481 N CA -0.406 52.587 53.050 -0.096 0.000 0.792 481 N CB 1.128 39.581 38.487 -0.057 0.000 1.425 481 N HN 0.278 nan 8.380 nan 0.000 0.478 482 K N 2.693 123.003 120.400 -0.150 0.000 2.756 482 K HA 0.183 4.498 4.320 -0.008 0.000 0.218 482 K C -0.989 175.620 176.600 0.015 0.000 1.057 482 K CA -0.466 55.704 56.287 -0.194 0.000 1.056 482 K CB 1.152 33.312 32.500 -0.567 0.000 1.235 482 K HN 0.552 nan 8.250 nan 0.000 0.547 483 T N 2.023 116.604 114.554 0.045 0.000 2.902 483 T HA 0.055 4.401 4.350 -0.008 0.000 0.301 483 T C 0.821 175.650 174.700 0.215 0.000 1.012 483 T CA 0.384 62.562 62.100 0.130 0.000 1.151 483 T CB 0.290 69.238 68.868 0.134 0.000 0.946 483 T HN 0.352 nan 8.240 nan 0.000 0.542 484 N N 0.607 119.456 118.700 0.249 0.000 2.267 484 N HA 0.409 5.144 4.740 -0.008 0.000 0.226 484 N C 0.476 176.174 175.510 0.314 0.000 1.314 484 N CA -0.160 53.071 53.050 0.303 0.000 0.887 484 N CB 0.375 38.983 38.487 0.201 0.000 1.120 484 N HN 0.765 nan 8.380 nan 0.000 0.440 485 G N -0.730 108.262 108.800 0.320 0.000 2.649 485 G HA2 0.572 4.528 3.960 -0.008 0.000 0.290 485 G HA3 0.572 4.528 3.960 -0.008 0.000 0.290 485 G C -1.473 173.565 174.900 0.230 0.000 1.426 485 G CA -0.742 44.531 45.100 0.288 0.000 0.794 485 G HN 0.594 nan 8.290 nan 0.000 0.483 486 I N -2.271 118.417 120.570 0.198 0.000 2.828 486 I HA 0.759 4.924 4.170 -0.008 0.000 0.302 486 I C -0.250 176.028 176.117 0.269 0.000 1.101 486 I CA -0.959 60.454 61.300 0.189 0.000 1.031 486 I CB 2.432 40.432 38.000 -0.000 0.000 1.231 486 I HN 0.518 nan 8.210 nan 0.000 0.427 487 T N 4.220 118.985 114.554 0.352 0.000 2.794 487 T HA 0.345 4.690 4.350 -0.008 0.000 0.296 487 T C -1.327 173.490 174.700 0.196 0.000 0.949 487 T CA -1.628 60.602 62.100 0.216 0.000 1.101 487 T CB 0.773 69.717 68.868 0.126 0.000 0.905 487 T HN 0.646 nan 8.240 nan 0.000 0.516 488 P HA 0.005 nan 4.420 nan 0.000 0.234 488 P C 1.007 178.278 177.300 -0.049 0.000 1.167 488 P CA 0.473 63.610 63.100 0.061 0.000 0.763 488 P CB 0.357 32.075 31.700 0.031 0.000 0.835 489 R N 0.325 120.752 120.500 -0.122 0.000 2.056 489 R HA 0.009 4.344 4.340 -0.008 0.000 0.227 489 R C 2.778 178.960 176.300 -0.196 0.000 1.149 489 R CA 1.426 57.414 56.100 -0.187 0.000 0.937 489 R CB -0.850 29.347 30.300 -0.171 0.000 0.835 489 R HN 0.037 nan 8.270 nan 0.000 0.430 490 R N -0.405 119.916 120.500 -0.299 0.000 2.075 490 R HA -0.117 4.219 4.340 -0.008 0.000 0.232 490 R C 1.051 176.973 176.300 -0.629 0.000 1.126 490 R CA 1.538 57.303 56.100 -0.559 0.000 0.963 490 R CB -0.120 29.662 30.300 -0.863 0.000 0.858 490 R HN 0.304 nan 8.270 nan 0.000 0.435 491 W N -0.059 121.199 121.300 -0.070 0.000 3.405 491 W HA 0.132 4.787 4.660 -0.009 0.000 0.300 491 W C 0.957 177.446 176.519 -0.051 0.000 1.286 491 W CA -0.659 56.643 57.345 -0.072 0.000 1.762 491 W CB 0.377 29.799 29.460 -0.065 0.000 1.087 491 W HN 0.238 nan 8.180 nan 0.000 0.703 492 L N -2.457 118.815 121.223 0.083 0.000 2.604 492 L HA 0.172 4.507 4.340 -0.008 0.000 0.150 492 L C 1.775 178.662 176.870 0.029 0.000 1.292 492 L CA 0.704 55.594 54.840 0.082 0.000 0.977 492 L CB -0.892 41.242 42.059 0.126 0.000 1.943 492 L HN -0.265 nan 8.230 nan 0.000 0.508 493 V N 1.330 121.242 119.914 -0.004 0.000 2.252 493 V HA -0.298 3.817 4.120 -0.008 0.000 0.249 493 V C 2.464 178.533 176.094 -0.042 0.000 1.056 493 V CA 2.611 64.898 62.300 -0.021 0.000 1.022 493 V CB -0.727 31.054 31.823 -0.070 0.000 0.641 493 V HN 0.531 nan 8.190 nan 0.000 0.445 494 L N 0.434 121.601 121.223 -0.092 0.000 2.027 494 L HA -0.182 4.153 4.340 -0.008 0.000 0.206 494 L C 2.456 179.262 176.870 -0.107 0.000 1.074 494 L CA 2.386 57.156 54.840 -0.116 0.000 0.745 494 L CB -0.253 41.689 42.059 -0.195 0.000 0.898 494 L HN 0.673 nan 8.230 nan 0.000 0.433 495 C N -1.772 117.457 119.300 -0.117 0.000 2.563 495 C HA 0.215 4.670 4.460 -0.008 0.000 0.268 495 C C 1.174 176.146 174.990 -0.029 0.000 1.365 495 C CA -0.320 58.649 59.018 -0.083 0.000 1.754 495 C CB -1.002 26.684 27.740 -0.090 0.000 1.932 495 C HN 0.591 nan 8.230 nan 0.000 0.536 496 N N 1.197 119.891 118.700 -0.009 0.000 2.703 496 N HA 0.275 5.011 4.740 -0.008 0.000 0.283 496 N C -1.659 173.864 175.510 0.021 0.000 1.851 496 N CA -1.599 51.458 53.050 0.011 0.000 0.826 496 N CB 0.764 39.267 38.487 0.026 0.000 1.239 496 N HN 0.260 nan 8.380 nan 0.000 0.495 497 P HA -0.071 nan 4.420 nan 0.000 0.216 497 P C 1.397 178.714 177.300 0.029 0.000 1.150 497 P CA 0.998 64.110 63.100 0.021 0.000 0.837 497 P CB 0.239 31.944 31.700 0.008 0.000 0.786 498 G N 0.658 109.469 108.800 0.019 0.000 2.446 498 G HA2 -0.252 3.704 3.960 -0.008 0.000 0.217 498 G HA3 -0.252 3.704 3.960 -0.008 0.000 0.217 498 G C 1.547 176.457 174.900 0.018 0.000 1.168 498 G CA 0.766 45.875 45.100 0.015 0.000 0.771 498 G HN 0.263 nan 8.290 nan 0.000 0.551 499 L N 1.261 122.496 121.223 0.020 0.000 2.072 499 L HA 0.280 4.615 4.340 -0.008 0.000 0.205 499 L C 3.033 179.935 176.870 0.054 0.000 1.079 499 L CA 2.007 56.859 54.840 0.020 0.000 0.752 499 L CB -0.754 41.316 42.059 0.019 0.000 0.906 499 L HN 0.223 nan 8.230 nan 0.000 0.436 500 A N -0.777 122.097 122.820 0.089 0.000 1.940 500 A HA -0.244 4.072 4.320 -0.008 0.000 0.219 500 A C 2.230 179.914 177.584 0.166 0.000 1.176 500 A CA 1.774 53.916 52.037 0.176 0.000 0.631 500 A CB -0.634 18.465 19.000 0.166 0.000 0.814 500 A HN 0.549 nan 8.150 nan 0.000 0.446 501 E N 0.735 120.993 120.200 0.097 0.000 2.028 501 E HA -0.155 4.190 4.350 -0.008 0.000 0.191 501 E C 1.867 178.507 176.600 0.067 0.000 0.988 501 E CA 1.584 58.031 56.400 0.078 0.000 0.799 501 E CB -0.520 29.208 29.700 0.046 0.000 0.755 501 E HN 0.729 nan 8.360 nan 0.000 0.447 502 I N -1.585 119.020 120.570 0.059 0.000 2.454 502 I HA -0.160 4.005 4.170 -0.008 0.000 0.254 502 I C 2.143 178.325 176.117 0.108 0.000 1.156 502 I CA 1.174 62.522 61.300 0.080 0.000 1.433 502 I CB -0.380 37.661 38.000 0.069 0.000 1.082 502 I HN 0.030 nan 8.210 nan 0.000 0.432 503 I N 1.895 122.507 120.570 0.069 0.000 2.233 503 I HA -0.171 3.995 4.170 -0.008 0.000 0.243 503 I C 3.033 179.094 176.117 -0.092 0.000 1.093 503 I CA 1.264 62.528 61.300 -0.060 0.000 1.380 503 I CB -0.465 37.378 38.000 -0.262 0.000 1.067 503 I HN 0.291 nan 8.210 nan 0.000 0.413 504 A N 0.614 123.474 122.820 0.066 0.000 1.933 504 A HA -0.224 4.091 4.320 -0.008 0.000 0.218 504 A C 2.145 179.759 177.584 0.050 0.000 1.175 504 A CA 1.599 53.731 52.037 0.158 0.000 0.628 504 A CB -0.622 18.507 19.000 0.215 0.000 0.814 504 A HN 0.457 nan 8.150 nan 0.000 0.444 505 E N -0.539 119.671 120.200 0.016 0.000 2.171 505 E HA -0.225 4.121 4.350 -0.008 0.000 0.197 505 E C 2.144 178.706 176.600 -0.063 0.000 0.997 505 E CA 1.356 57.750 56.400 -0.011 0.000 0.810 505 E CB -0.159 29.537 29.700 -0.008 0.000 0.738 505 E HN 0.609 nan 8.360 nan 0.000 0.467 506 R N 0.048 120.457 120.500 -0.152 0.000 2.195 506 R HA 0.156 4.492 4.340 -0.008 0.000 0.197 506 R C 2.195 178.415 176.300 -0.133 0.000 0.990 506 R CA 0.696 56.639 56.100 -0.262 0.000 1.048 506 R CB 0.287 30.138 30.300 -0.750 0.000 0.997 506 R HN 0.256 nan 8.270 nan 0.000 0.502 507 I N -3.529 116.987 120.570 -0.089 0.000 4.147 507 I HA 0.457 4.622 4.170 -0.008 0.000 0.329 507 I C 0.344 176.504 176.117 0.072 0.000 1.424 507 I CA -0.183 61.117 61.300 0.001 0.000 1.127 507 I CB 1.072 39.061 38.000 -0.017 0.000 1.128 507 I HN 0.139 nan 8.210 nan 0.000 0.417 508 G N 2.187 111.039 108.800 0.086 0.000 2.660 508 G HA2 -0.199 3.756 3.960 -0.008 0.000 0.247 508 G HA3 -0.199 3.756 3.960 -0.008 0.000 0.247 508 G C -0.128 174.905 174.900 0.223 0.000 1.328 508 G CA 0.131 45.303 45.100 0.121 0.000 0.884 508 G HN 0.427 nan 8.290 nan 0.000 0.531 509 E N -0.419 119.861 120.200 0.134 0.000 2.460 509 E HA 0.090 4.435 4.350 -0.008 0.000 0.200 509 E C 1.904 178.451 176.600 -0.087 0.000 1.011 509 E CA 0.074 56.494 56.400 0.034 0.000 0.912 509 E CB 0.269 29.979 29.700 0.017 0.000 0.953 509 E HN 0.478 nan 8.360 nan 0.000 0.494 510 E N 0.682 120.902 120.200 0.034 0.000 2.219 510 E HA -0.206 4.139 4.350 -0.008 0.000 0.198 510 E C 1.726 178.317 176.600 -0.015 0.000 0.998 510 E CA 1.053 57.464 56.400 0.019 0.000 0.818 510 E CB -0.056 29.680 29.700 0.060 0.000 0.741 510 E HN 0.527 nan 8.360 nan 0.000 0.477 511 Y N -1.034 119.269 120.300 0.006 0.000 2.403 511 Y HA -0.049 4.497 4.550 -0.006 0.000 0.291 511 Y C 1.952 177.827 175.900 -0.042 0.000 1.143 511 Y CA 0.548 58.643 58.100 -0.008 0.000 1.257 511 Y CB -0.802 37.658 38.460 0.000 0.000 0.984 511 Y HN -0.079 nan 8.280 nan 0.000 0.550 512 I N 0.928 120.994 120.570 -0.841 0.000 2.423 512 I HA -0.237 3.928 4.170 -0.008 0.000 0.254 512 I C 1.626 177.472 176.117 -0.452 0.000 1.151 512 I CA 1.843 62.707 61.300 -0.726 0.000 1.421 512 I CB -0.364 37.126 38.000 -0.851 0.000 1.079 512 I HN 0.501 nan 8.210 nan 0.000 0.431 513 S N -2.164 113.383 115.700 -0.255 0.000 2.749 513 S HA 0.181 4.646 4.470 -0.008 0.000 0.246 513 S C 0.108 174.686 174.600 -0.036 0.000 1.023 513 S CA -0.515 57.613 58.200 -0.120 0.000 1.012 513 S CB 0.364 63.564 63.200 0.001 0.000 0.942 513 S HN 0.293 nan 8.310 nan 0.000 0.531 514 D N 0.685 121.071 120.400 -0.022 0.000 3.118 514 D HA 0.199 4.834 4.640 -0.008 0.000 0.259 514 D C 0.443 176.780 176.300 0.061 0.000 1.292 514 D CA -0.373 53.639 54.000 0.021 0.000 0.784 514 D CB 0.272 41.090 40.800 0.030 0.000 1.413 514 D HN 0.113 nan 8.370 nan 0.000 0.583 515 L N 1.062 122.322 121.223 0.062 0.000 2.263 515 L HA -0.067 4.268 4.340 -0.008 0.000 0.216 515 L C 1.468 178.389 176.870 0.086 0.000 1.111 515 L CA 1.655 56.563 54.840 0.113 0.000 0.773 515 L CB -0.122 41.995 42.059 0.095 0.000 0.906 515 L HN 0.274 nan 8.230 nan 0.000 0.439 516 D N -0.852 119.574 120.400 0.043 0.000 2.265 516 D HA -0.213 4.422 4.640 -0.008 0.000 0.208 516 D C 1.943 178.264 176.300 0.034 0.000 0.977 516 D CA 0.804 54.815 54.000 0.019 0.000 0.871 516 D CB 0.063 40.861 40.800 -0.003 0.000 0.925 516 D HN 0.565 nan 8.370 nan 0.000 0.485 517 Q N -0.074 119.765 119.800 0.065 0.000 2.364 517 Q HA -0.039 4.297 4.340 -0.008 0.000 0.209 517 Q C 2.249 178.273 176.000 0.041 0.000 0.977 517 Q CA 0.216 56.059 55.803 0.067 0.000 0.885 517 Q CB 0.048 28.854 28.738 0.112 0.000 0.941 517 Q HN 0.382 nan 8.270 nan 0.000 0.464 518 L N 0.218 121.461 121.223 0.033 0.000 2.353 518 L HA -0.187 4.149 4.340 -0.008 0.000 0.220 518 L C 2.155 179.027 176.870 0.002 0.000 1.133 518 L CA 0.878 55.705 54.840 -0.022 0.000 0.798 518 L CB -0.338 41.718 42.059 -0.005 0.000 0.922 518 L HN 0.215 nan 8.230 nan 0.000 0.445 519 R N 0.377 120.886 120.500 0.014 0.000 2.152 519 R HA -0.165 4.171 4.340 -0.008 0.000 0.232 519 R C 2.001 178.306 176.300 0.010 0.000 1.117 519 R CA 0.954 57.062 56.100 0.013 0.000 0.981 519 R CB -0.276 30.027 30.300 0.004 0.000 0.870 519 R HN 0.415 nan 8.270 nan 0.000 0.451 520 K N 0.765 121.171 120.400 0.010 0.000 2.360 520 K HA -0.082 4.234 4.320 -0.008 0.000 0.201 520 K C 1.811 178.439 176.600 0.048 0.000 1.046 520 K CA 0.794 57.089 56.287 0.014 0.000 0.945 520 K CB -0.085 32.433 32.500 0.031 0.000 0.750 520 K HN 0.218 nan 8.250 nan 0.000 0.464 521 L N 0.802 122.057 121.223 0.054 0.000 2.465 521 L HA -0.103 4.233 4.340 -0.008 0.000 0.224 521 L C 1.929 178.867 176.870 0.113 0.000 1.145 521 L CA 0.473 55.375 54.840 0.103 0.000 0.834 521 L CB -0.315 41.774 42.059 0.050 0.000 0.944 521 L HN 0.201 nan 8.230 nan 0.000 0.451 522 L N -0.347 120.903 121.223 0.045 0.000 2.191 522 L HA -0.158 4.177 4.340 -0.008 0.000 0.212 522 L C 2.523 179.372 176.870 -0.035 0.000 1.103 522 L CA 1.276 56.130 54.840 0.023 0.000 0.769 522 L CB -0.404 41.657 42.059 0.003 0.000 0.908 522 L HN 0.386 nan 8.230 nan 0.000 0.438 523 S N -1.958 113.657 115.700 -0.141 0.000 2.607 523 S HA -0.070 4.395 4.470 -0.008 0.000 0.224 523 S C 0.999 175.317 174.600 -0.471 0.000 0.969 523 S CA 0.245 58.260 58.200 -0.308 0.000 0.927 523 S CB -0.301 62.650 63.200 -0.415 0.000 0.772 523 S HN 0.427 nan 8.310 nan 0.000 0.533 524 Y N -0.492 119.753 120.300 -0.092 0.000 2.557 524 Y HA 0.426 4.974 4.550 -0.003 0.000 0.247 524 Y C 1.894 177.844 175.900 0.083 0.000 1.164 524 Y CA -0.708 57.338 58.100 -0.091 0.000 1.218 524 Y CB 0.130 38.336 38.460 -0.423 0.000 1.210 524 Y HN 0.256 nan 8.280 nan 0.000 0.529 525 V N 0.452 120.468 119.914 0.171 0.000 2.720 525 V HA -0.217 3.898 4.120 -0.008 0.000 0.256 525 V C 0.897 177.068 176.094 0.128 0.000 1.082 525 V CA 2.308 64.706 62.300 0.163 0.000 1.101 525 V CB -0.002 31.874 31.823 0.088 0.000 0.693 525 V HN 0.318 nan 8.190 nan 0.000 0.479 526 D N -0.679 119.777 120.400 0.094 0.000 2.395 526 D HA 0.127 4.762 4.640 -0.008 0.000 0.213 526 D C 0.342 176.697 176.300 0.092 0.000 1.110 526 D CA -0.007 54.036 54.000 0.071 0.000 0.835 526 D CB 0.081 40.899 40.800 0.031 0.000 0.965 526 D HN 0.452 nan 8.370 nan 0.000 0.505 527 D N 1.425 121.918 120.400 0.155 0.000 2.336 527 D HA -0.016 4.620 4.640 -0.008 0.000 0.249 527 D C 1.123 177.528 176.300 0.175 0.000 1.213 527 D CA -0.031 54.080 54.000 0.184 0.000 0.870 527 D CB 1.472 42.457 40.800 0.309 0.000 1.076 527 D HN -0.210 nan 8.370 nan 0.000 0.483 528 E N 3.030 123.298 120.200 0.113 0.000 2.118 528 E HA -0.158 4.187 4.350 -0.008 0.000 0.195 528 E C 1.729 178.381 176.600 0.087 0.000 0.992 528 E CA 1.336 57.786 56.400 0.083 0.000 0.804 528 E CB -0.020 29.713 29.700 0.055 0.000 0.741 528 E HN 0.613 nan 8.360 nan 0.000 0.458 529 A N -0.240 122.646 122.820 0.111 0.000 1.855 529 A HA -0.150 4.165 4.320 -0.008 0.000 0.215 529 A C 2.241 179.906 177.584 0.136 0.000 1.191 529 A CA 1.356 53.455 52.037 0.103 0.000 0.613 529 A CB -1.056 18.006 19.000 0.103 0.000 0.829 529 A HN 0.415 nan 8.150 nan 0.000 0.442 530 F N 0.533 120.489 119.950 0.010 0.000 2.095 530 F HA -0.211 4.312 4.527 -0.007 0.000 0.298 530 F C 2.100 177.901 175.800 0.001 0.000 1.104 530 F CA 1.788 59.778 58.000 -0.017 0.000 1.232 530 F CB -0.140 38.853 39.000 -0.011 0.000 0.987 530 F HN 0.179 nan 8.300 nan 0.000 0.475 531 I N 0.127 120.721 120.570 0.042 0.000 2.194 531 I HA -0.370 3.795 4.170 -0.008 0.000 0.246 531 I C 2.561 178.619 176.117 -0.099 0.000 1.093 531 I CA 1.736 63.002 61.300 -0.057 0.000 1.355 531 I CB -0.523 37.496 38.000 0.033 0.000 1.046 531 I HN 0.127 nan 8.210 nan 0.000 0.413 532 R N 0.880 121.350 120.500 -0.049 0.000 2.092 532 R HA -0.179 4.157 4.340 -0.008 0.000 0.231 532 R C 1.857 178.106 176.300 -0.085 0.000 1.119 532 R CA 1.783 57.853 56.100 -0.050 0.000 0.970 532 R CB -0.093 30.197 30.300 -0.016 0.000 0.864 532 R HN 0.300 nan 8.270 nan 0.000 0.440 533 D N -0.366 119.966 120.400 -0.114 0.000 2.123 533 D HA -0.112 4.523 4.640 -0.008 0.000 0.200 533 D C 1.933 178.109 176.300 -0.206 0.000 0.976 533 D CA 1.134 55.055 54.000 -0.131 0.000 0.831 533 D CB -0.181 40.562 40.800 -0.097 0.000 0.974 533 D HN 0.078 nan 8.370 nan 0.000 0.469 534 V N 1.588 121.282 119.914 -0.367 0.000 2.287 534 V HA -0.257 3.858 4.120 -0.008 0.000 0.248 534 V C 2.529 178.527 176.094 -0.160 0.000 1.053 534 V CA 1.966 64.061 62.300 -0.341 0.000 1.027 534 V CB -0.798 30.748 31.823 -0.462 0.000 0.646 534 V HN 0.193 nan 8.190 nan 0.000 0.447 535 A N -0.770 121.976 122.820 -0.124 0.000 1.969 535 A HA -0.224 4.092 4.320 -0.008 0.000 0.218 535 A C 2.350 179.894 177.584 -0.067 0.000 1.169 535 A CA 1.955 53.951 52.037 -0.068 0.000 0.635 535 A CB -0.426 18.539 19.000 -0.059 0.000 0.810 535 A HN 0.523 nan 8.150 nan 0.000 0.445 536 K N -0.187 120.170 120.400 -0.072 0.000 2.025 536 K HA -0.066 4.249 4.320 -0.008 0.000 0.207 536 K C 1.840 178.413 176.600 -0.046 0.000 1.049 536 K CA 1.467 57.721 56.287 -0.054 0.000 0.933 536 K CB -0.244 32.228 32.500 -0.047 0.000 0.714 536 K HN 0.230 nan 8.250 nan 0.000 0.438 537 V N 1.875 121.757 119.914 -0.053 0.000 2.287 537 V HA -0.265 3.850 4.120 -0.008 0.000 0.248 537 V C 2.386 178.465 176.094 -0.025 0.000 1.053 537 V CA 2.063 64.342 62.300 -0.036 0.000 1.027 537 V CB -0.490 31.307 31.823 -0.043 0.000 0.646 537 V HN 0.352 nan 8.190 nan 0.000 0.447 538 K N 0.455 120.837 120.400 -0.030 0.000 2.057 538 K HA -0.237 4.078 4.320 -0.008 0.000 0.207 538 K C 2.162 178.734 176.600 -0.047 0.000 1.049 538 K CA 1.861 58.135 56.287 -0.021 0.000 0.931 538 K CB -0.524 31.976 32.500 0.000 0.000 0.714 538 K HN 0.395 nan 8.250 nan 0.000 0.440 539 Q N 1.003 120.768 119.800 -0.058 0.000 2.084 539 Q HA -0.121 4.214 4.340 -0.008 0.000 0.202 539 Q C 1.671 177.648 176.000 -0.038 0.000 0.978 539 Q CA 2.031 57.791 55.803 -0.071 0.000 0.844 539 Q CB -0.098 28.602 28.738 -0.064 0.000 0.898 539 Q HN 0.532 nan 8.270 nan 0.000 0.426 540 E N -0.545 119.645 120.200 -0.016 0.000 2.106 540 E HA -0.147 4.199 4.350 -0.008 0.000 0.192 540 E C 1.743 178.364 176.600 0.035 0.000 0.984 540 E CA 0.934 57.340 56.400 0.010 0.000 0.806 540 E CB -0.062 29.643 29.700 0.007 0.000 0.750 540 E HN 0.408 nan 8.360 nan 0.000 0.458 541 N N 1.035 119.753 118.700 0.029 0.000 2.166 541 N HA -0.129 4.607 4.740 -0.008 0.000 0.186 541 N C 1.500 177.083 175.510 0.121 0.000 1.019 541 N CA 1.034 54.121 53.050 0.062 0.000 0.856 541 N CB -0.069 38.439 38.487 0.035 0.000 0.993 541 N HN 0.142 nan 8.380 nan 0.000 0.426 542 K N 0.606 121.042 120.400 0.060 0.000 2.057 542 K HA 0.028 4.343 4.320 -0.008 0.000 0.206 542 K C 2.096 178.820 176.600 0.205 0.000 1.050 542 K CA 0.648 56.989 56.287 0.090 0.000 0.935 542 K CB -0.134 32.164 32.500 -0.337 0.000 0.715 542 K HN 0.110 nan 8.250 nan 0.000 0.439 543 L N 1.095 122.382 121.223 0.108 0.000 2.093 543 L HA -0.159 4.177 4.340 -0.008 0.000 0.208 543 L C 2.619 179.584 176.870 0.158 0.000 1.085 543 L CA 1.022 55.933 54.840 0.119 0.000 0.755 543 L CB -0.314 41.786 42.059 0.068 0.000 0.904 543 L HN 0.124 nan 8.230 nan 0.000 0.435 544 K N -0.072 120.427 120.400 0.165 0.000 2.057 544 K HA -0.207 4.109 4.320 -0.008 0.000 0.207 544 K C 2.158 178.915 176.600 0.263 0.000 1.049 544 K CA 1.640 58.035 56.287 0.179 0.000 0.931 544 K CB -0.230 32.360 32.500 0.151 0.000 0.714 544 K HN 0.132 nan 8.250 nan 0.000 0.440 545 F N 1.192 121.235 119.950 0.155 0.000 2.206 545 F HA -0.019 4.503 4.527 -0.008 0.000 0.298 545 F C 2.054 177.997 175.800 0.239 0.000 1.090 545 F CA 1.010 59.117 58.000 0.178 0.000 1.323 545 F CB -0.363 38.740 39.000 0.173 0.000 1.028 545 F HN 0.021 nan 8.300 nan 0.000 0.492 546 A N 0.240 123.205 122.820 0.241 0.000 1.933 546 A HA -0.051 4.264 4.320 -0.008 0.000 0.218 546 A C 2.406 180.025 177.584 0.058 0.000 1.175 546 A CA 1.729 53.838 52.037 0.121 0.000 0.628 546 A CB -1.437 17.688 19.000 0.208 0.000 0.814 546 A HN 0.435 nan 8.150 nan 0.000 0.444 547 A N -1.401 121.481 122.820 0.104 0.000 1.898 547 A HA -0.061 4.254 4.320 -0.008 0.000 0.216 547 A C 2.130 179.753 177.584 0.064 0.000 1.181 547 A CA 1.554 53.644 52.037 0.089 0.000 0.620 547 A CB -0.850 18.211 19.000 0.102 0.000 0.819 547 A HN 0.763 nan 8.150 nan 0.000 0.442 548 Y N 0.147 120.411 120.300 -0.061 0.000 2.165 548 Y HA -0.192 4.354 4.550 -0.007 0.000 0.286 548 Y C 1.835 177.662 175.900 -0.121 0.000 1.155 548 Y CA 1.720 59.768 58.100 -0.087 0.000 1.164 548 Y CB -0.363 38.052 38.460 -0.076 0.000 0.978 548 Y HN 0.185 nan 8.280 nan 0.000 0.513 549 L N 0.802 122.008 121.223 -0.028 0.000 2.127 549 L HA -0.208 4.127 4.340 -0.008 0.000 0.211 549 L C 2.255 179.110 176.870 -0.025 0.000 1.089 549 L CA 1.930 56.743 54.840 -0.044 0.000 0.757 549 L CB -0.759 41.197 42.059 -0.172 0.000 0.899 549 L HN 0.359 nan 8.230 nan 0.000 0.434 550 E N -1.554 118.625 120.200 -0.034 0.000 2.086 550 E HA -0.088 4.257 4.350 -0.008 0.000 0.190 550 E C 2.295 178.850 176.600 -0.076 0.000 0.975 550 E CA 0.304 56.698 56.400 -0.010 0.000 0.813 550 E CB 0.031 29.757 29.700 0.044 0.000 0.768 550 E HN 0.417 nan 8.360 nan 0.000 0.457 551 R N 0.904 121.322 120.500 -0.136 0.000 2.070 551 R HA -0.099 4.237 4.340 -0.008 0.000 0.232 551 R C 1.785 177.913 176.300 -0.287 0.000 1.138 551 R CA 1.126 57.118 56.100 -0.180 0.000 0.936 551 R CB -0.074 30.120 30.300 -0.176 0.000 0.839 551 R HN 0.074 nan 8.270 nan 0.000 0.429 552 E N -0.775 119.106 120.200 -0.531 0.000 2.479 552 E HA -0.020 4.325 4.350 -0.008 0.000 0.193 552 E C 0.287 176.363 176.600 -0.872 0.000 1.049 552 E CA 0.626 56.582 56.400 -0.741 0.000 0.870 552 E CB 0.458 29.503 29.700 -1.092 0.000 0.944 552 E HN 0.443 nan 8.360 nan 0.000 0.492 553 Y N -0.174 120.007 120.300 -0.198 0.000 2.729 553 Y HA 0.169 4.714 4.550 -0.008 0.000 0.266 553 Y C -0.052 175.815 175.900 -0.056 0.000 1.064 553 Y CA -0.924 57.118 58.100 -0.097 0.000 1.251 553 Y CB 0.665 39.078 38.460 -0.079 0.000 1.379 553 Y HN -0.257 nan 8.280 nan 0.000 0.569 554 K N 1.247 121.674 120.400 0.044 0.000 3.730 554 K HA -0.123 4.192 4.320 -0.008 0.000 0.276 554 K C -0.602 176.038 176.600 0.067 0.000 0.904 554 K CA 0.943 57.255 56.287 0.041 0.000 0.741 554 K CB -1.825 30.694 32.500 0.031 0.000 1.542 554 K HN 0.280 nan 8.250 nan 0.000 0.446 555 V N -1.751 118.204 119.914 0.069 0.000 2.686 555 V HA 0.566 4.681 4.120 -0.008 0.000 0.306 555 V C -0.438 175.706 176.094 0.084 0.000 1.065 555 V CA -1.051 61.286 62.300 0.062 0.000 0.894 555 V CB 2.234 34.074 31.823 0.029 0.000 1.004 555 V HN 0.424 nan 8.190 nan 0.000 0.424 556 H N 5.409 124.469 119.070 -0.017 0.000 2.488 556 H HA 0.818 5.369 4.556 -0.008 0.000 0.322 556 H C -0.372 174.948 175.328 -0.013 0.000 1.078 556 H CA -0.272 55.770 56.048 -0.010 0.000 1.260 556 H CB 1.507 31.267 29.762 -0.004 0.000 1.425 556 H HN 1.028 nan 8.280 nan 0.000 0.471 557 I N 1.567 121.835 120.570 -0.502 0.000 2.892 557 I HA 0.473 4.639 4.170 -0.008 0.000 0.306 557 I C -0.696 175.195 176.117 -0.376 0.000 1.078 557 I CA -1.387 59.705 61.300 -0.346 0.000 1.032 557 I CB 2.215 40.106 38.000 -0.182 0.000 1.229 557 I HN 0.485 nan 8.210 nan 0.000 0.435 558 N N 4.600 123.213 118.700 -0.144 0.000 2.415 558 N HA 0.381 5.116 4.740 -0.008 0.000 0.246 558 N C -2.024 173.556 175.510 0.118 0.000 1.078 558 N CA -2.178 50.852 53.050 -0.033 0.000 0.942 558 N CB 1.023 39.511 38.487 0.002 0.000 1.140 558 N HN 0.361 nan 8.380 nan 0.000 0.501 559 P HA -0.047 nan 4.420 nan 0.000 0.226 559 P C -0.158 177.104 177.300 -0.063 0.000 1.146 559 P CA 1.177 64.317 63.100 0.066 0.000 0.773 559 P CB 0.154 31.882 31.700 0.047 0.000 0.772 560 N N -1.552 117.147 118.700 -0.002 0.000 2.353 560 N HA 0.006 4.742 4.740 -0.008 0.000 0.185 560 N C 0.361 175.888 175.510 0.029 0.000 1.098 560 N CA -0.114 52.930 53.050 -0.010 0.000 0.872 560 N CB 0.054 38.550 38.487 0.015 0.000 0.970 560 N HN 0.157 nan 8.380 nan 0.000 0.467 561 S N 0.205 115.933 115.700 0.047 0.000 2.614 561 S HA 0.206 4.671 4.470 -0.008 0.000 0.265 561 S C 0.031 174.594 174.600 -0.062 0.000 1.303 561 S CA -0.912 57.309 58.200 0.035 0.000 1.000 561 S CB 1.078 64.323 63.200 0.075 0.000 0.935 561 S HN 0.170 nan 8.310 nan 0.000 0.551 562 L N 1.888 122.924 121.223 -0.312 0.000 2.360 562 L HA 0.379 4.714 4.340 -0.008 0.000 0.276 562 L C -0.921 175.919 176.870 -0.049 0.000 1.121 562 L CA -0.591 53.861 54.840 -0.646 0.000 0.845 562 L CB -0.120 41.257 42.059 -1.136 0.000 1.143 562 L HN 0.716 nan 8.230 nan 0.000 0.452 563 F N 4.206 124.012 119.950 -0.241 0.000 2.423 563 F HA 0.095 4.618 4.527 -0.007 0.000 0.356 563 F C 0.463 176.189 175.800 -0.124 0.000 1.170 563 F CA -0.858 57.070 58.000 -0.120 0.000 1.163 563 F CB 0.526 39.505 39.000 -0.035 0.000 1.318 563 F HN 0.527 nan 8.300 nan 0.000 0.569 564 D N 4.689 125.086 120.400 -0.004 0.000 2.380 564 D HA 0.280 4.915 4.640 -0.008 0.000 0.230 564 D C -0.867 175.372 176.300 -0.102 0.000 1.154 564 D CA -0.015 53.939 54.000 -0.077 0.000 0.859 564 D CB 1.189 41.930 40.800 -0.098 0.000 1.045 564 D HN 0.091 nan 8.370 nan 0.000 0.495 565 V N 4.351 124.186 119.914 -0.132 0.000 2.540 565 V HA 0.389 4.504 4.120 -0.008 0.000 0.302 565 V C -0.198 175.741 176.094 -0.259 0.000 1.035 565 V CA -0.832 61.372 62.300 -0.160 0.000 0.873 565 V CB 1.851 33.645 31.823 -0.049 0.000 0.992 565 V HN 0.501 nan 8.190 nan 0.000 0.428 566 Q N 3.562 123.230 119.800 -0.220 0.000 2.397 566 Q HA 0.632 4.968 4.340 -0.008 0.000 0.260 566 Q C -1.498 174.341 176.000 -0.268 0.000 1.002 566 Q CA -0.434 55.227 55.803 -0.236 0.000 0.716 566 Q CB 1.927 30.556 28.738 -0.182 0.000 1.258 566 Q HN 0.794 nan 8.270 nan 0.000 0.477 567 V N 1.804 121.544 119.914 -0.290 0.000 2.487 567 V HA 0.870 4.986 4.120 -0.008 0.000 0.298 567 V C -0.858 174.959 176.094 -0.463 0.000 1.028 567 V CA -0.560 61.381 62.300 -0.598 0.000 0.860 567 V CB 1.344 32.563 31.823 -1.007 0.000 0.991 567 V HN 0.796 nan 8.190 nan 0.000 0.427 568 K N 2.452 122.629 120.400 -0.371 0.000 3.040 568 K HA 0.371 4.686 4.320 -0.008 0.000 0.300 568 K C -1.319 175.301 176.600 0.033 0.000 1.092 568 K CA -1.086 55.176 56.287 -0.041 0.000 0.831 568 K CB 0.908 33.383 32.500 -0.042 0.000 1.469 568 K HN 0.490 nan 8.250 nan 0.000 0.365 569 R N 0.867 121.459 120.500 0.153 0.000 2.698 569 R HA 0.172 4.507 4.340 -0.008 0.000 0.266 569 R C 0.399 176.743 176.300 0.073 0.000 1.026 569 R CA -0.293 55.904 56.100 0.163 0.000 1.102 569 R CB -0.129 30.339 30.300 0.280 0.000 0.978 569 R HN 0.468 nan 8.270 nan 0.000 0.436 570 I N 4.821 125.359 120.570 -0.052 0.000 2.436 570 I HA 0.115 4.280 4.170 -0.008 0.000 0.289 570 I C 0.717 176.614 176.117 -0.367 0.000 1.083 570 I CA 0.540 61.748 61.300 -0.155 0.000 1.372 570 I CB -0.218 37.699 38.000 -0.138 0.000 1.408 570 I HN 0.282 nan 8.210 nan 0.000 0.516 571 H N 4.515 123.501 119.070 -0.141 0.000 2.930 571 H HA 0.243 4.794 4.556 -0.008 0.000 0.371 571 H C 0.367 175.583 175.328 -0.186 0.000 1.169 571 H CA -0.506 55.504 56.048 -0.064 0.000 1.157 571 H CB 2.059 31.706 29.762 -0.192 0.000 1.789 571 H HN 0.488 nan 8.280 nan 0.000 0.547 572 E N 0.993 121.252 120.200 0.098 0.000 2.106 572 E HA -0.191 4.154 4.350 -0.008 0.000 0.192 572 E C 1.459 177.820 176.600 -0.398 0.000 0.984 572 E CA 1.372 57.765 56.400 -0.012 0.000 0.806 572 E CB 0.011 29.902 29.700 0.318 0.000 0.750 572 E HN 0.563 nan 8.360 nan 0.000 0.458 573 Y N 0.844 120.627 120.300 -0.862 0.000 2.352 573 Y HA 0.007 4.552 4.550 -0.008 0.000 0.292 573 Y C 1.495 177.130 175.900 -0.441 0.000 1.136 573 Y CA 0.762 58.164 58.100 -1.163 0.000 1.227 573 Y CB -0.097 37.709 38.460 -1.091 0.000 0.991 573 Y HN -0.217 nan 8.280 nan 0.000 0.545 574 K N 0.840 120.756 120.400 -0.808 0.000 2.432 574 K HA 0.058 4.373 4.320 -0.008 0.000 0.196 574 K C 0.090 176.518 176.600 -0.286 0.000 1.038 574 K CA 0.451 56.403 56.287 -0.559 0.000 0.986 574 K CB -0.067 32.111 32.500 -0.537 0.000 0.782 574 K HN 0.271 nan 8.250 nan 0.000 0.485 575 R N 0.560 120.917 120.500 -0.238 0.000 3.264 575 R HA -0.235 4.100 4.340 -0.008 0.000 0.251 575 R C 0.246 176.466 176.300 -0.133 0.000 0.971 575 R CA 0.176 56.189 56.100 -0.145 0.000 0.658 575 R CB -1.756 28.477 30.300 -0.111 0.000 1.095 575 R HN 0.295 nan 8.270 nan 0.000 0.443 576 Q N 0.323 120.043 119.800 -0.132 0.000 2.226 576 Q HA -0.031 4.305 4.340 -0.008 0.000 0.204 576 Q C 2.023 177.971 176.000 -0.086 0.000 0.975 576 Q CA 1.285 57.023 55.803 -0.108 0.000 0.866 576 Q CB 0.054 28.732 28.738 -0.100 0.000 0.915 576 Q HN 0.584 nan 8.270 nan 0.000 0.440 577 L N -0.576 120.599 121.223 -0.081 0.000 2.083 577 L HA -0.183 4.153 4.340 -0.008 0.000 0.209 577 L C 1.991 178.856 176.870 -0.008 0.000 1.083 577 L CA 0.573 55.379 54.840 -0.056 0.000 0.752 577 L CB -0.341 41.694 42.059 -0.040 0.000 0.899 577 L HN 0.315 nan 8.230 nan 0.000 0.433 578 L N 0.020 121.230 121.223 -0.022 0.000 2.046 578 L HA -0.235 4.100 4.340 -0.008 0.000 0.208 578 L C 2.022 178.928 176.870 0.059 0.000 1.077 578 L CA 1.903 56.740 54.840 -0.006 0.000 0.747 578 L CB -0.846 41.102 42.059 -0.185 0.000 0.896 578 L HN 0.285 nan 8.230 nan 0.000 0.432 579 N N -1.640 117.066 118.700 0.009 0.000 2.120 579 N HA -0.237 4.499 4.740 -0.008 0.000 0.188 579 N C 1.939 177.525 175.510 0.127 0.000 1.024 579 N CA 1.634 54.767 53.050 0.139 0.000 0.852 579 N CB -0.143 38.362 38.487 0.031 0.000 1.003 579 N HN 0.496 nan 8.380 nan 0.000 0.424 580 C N 0.583 119.895 119.300 0.019 0.000 2.413 580 C HA -0.076 4.380 4.460 -0.008 0.000 0.276 580 C C 2.581 177.563 174.990 -0.013 0.000 1.248 580 C CA 0.387 59.372 59.018 -0.055 0.000 1.742 580 C CB -1.257 26.398 27.740 -0.142 0.000 2.017 580 C HN 0.511 nan 8.230 nan 0.000 0.481 581 L N -0.391 120.887 121.223 0.091 0.000 2.083 581 L HA -0.187 4.149 4.340 -0.008 0.000 0.209 581 L C 2.739 179.762 176.870 0.256 0.000 1.083 581 L CA 1.720 56.664 54.840 0.174 0.000 0.752 581 L CB -1.034 41.202 42.059 0.295 0.000 0.899 581 L HN 0.595 nan 8.230 nan 0.000 0.433 582 H N -0.032 119.141 119.070 0.171 0.000 2.357 582 H HA -0.123 4.429 4.556 -0.008 0.000 0.301 582 H C 2.233 177.551 175.328 -0.017 0.000 1.082 582 H CA 1.766 57.836 56.048 0.037 0.000 1.342 582 H CB 0.360 30.085 29.762 -0.061 0.000 1.389 582 H HN 0.088 nan 8.280 nan 0.000 0.511 583 V N 1.669 121.503 119.914 -0.133 0.000 2.287 583 V HA -0.288 3.828 4.120 -0.008 0.000 0.248 583 V C 2.830 178.848 176.094 -0.126 0.000 1.053 583 V CA 1.974 64.154 62.300 -0.200 0.000 1.027 583 V CB -0.539 31.212 31.823 -0.120 0.000 0.646 583 V HN 0.399 nan 8.190 nan 0.000 0.447 584 I N -0.178 120.353 120.570 -0.064 0.000 2.286 584 I HA -0.221 3.944 4.170 -0.008 0.000 0.248 584 I C 2.497 178.660 176.117 0.077 0.000 1.115 584 I CA 1.713 63.038 61.300 0.041 0.000 1.392 584 I CB -0.681 37.322 38.000 0.006 0.000 1.065 584 I HN 0.329 nan 8.210 nan 0.000 0.418 585 T N 1.151 115.712 114.554 0.011 0.000 2.708 585 T HA -0.139 4.206 4.350 -0.008 0.000 0.266 585 T C 1.880 176.532 174.700 -0.080 0.000 1.037 585 T CA 1.183 63.283 62.100 0.002 0.000 1.146 585 T CB -0.237 68.661 68.868 0.051 0.000 0.865 585 T HN 0.084 nan 8.240 nan 0.000 0.435 586 L N 0.130 121.235 121.223 -0.196 0.000 2.046 586 L HA -0.023 4.312 4.340 -0.008 0.000 0.208 586 L C 2.101 178.923 176.870 -0.080 0.000 1.077 586 L CA 1.585 56.302 54.840 -0.204 0.000 0.747 586 L CB -0.933 40.927 42.059 -0.331 0.000 0.896 586 L HN 0.364 nan 8.230 nan 0.000 0.432 587 Y N 0.115 120.342 120.300 -0.122 0.000 2.145 587 Y HA -0.275 4.271 4.550 -0.008 0.000 0.286 587 Y C 2.414 178.285 175.900 -0.049 0.000 1.145 587 Y CA 1.793 59.860 58.100 -0.056 0.000 1.148 587 Y CB -0.088 38.380 38.460 0.013 0.000 0.981 587 Y HN 0.274 nan 8.280 nan 0.000 0.507 588 N N 0.463 119.109 118.700 -0.090 0.000 2.188 588 N HA -0.135 4.600 4.740 -0.008 0.000 0.184 588 N C 1.817 177.212 175.510 -0.192 0.000 1.018 588 N CA 1.460 54.397 53.050 -0.187 0.000 0.858 588 N CB -0.357 38.081 38.487 -0.081 0.000 0.989 588 N HN 0.446 nan 8.380 nan 0.000 0.426 589 R N 0.458 120.872 120.500 -0.143 0.000 2.081 589 R HA 0.061 4.396 4.340 -0.008 0.000 0.235 589 R C 2.234 178.446 176.300 -0.147 0.000 1.131 589 R CA 0.761 56.786 56.100 -0.126 0.000 0.960 589 R CB -0.266 29.970 30.300 -0.106 0.000 0.856 589 R HN 0.240 nan 8.270 nan 0.000 0.436 590 I N 1.035 121.496 120.570 -0.182 0.000 2.179 590 I HA -0.277 3.889 4.170 -0.008 0.000 0.242 590 I C 2.072 178.070 176.117 -0.198 0.000 1.088 590 I CA 1.238 62.431 61.300 -0.178 0.000 1.357 590 I CB -0.201 37.693 38.000 -0.177 0.000 1.051 590 I HN 0.043 nan 8.210 nan 0.000 0.409 591 K N 0.733 120.951 120.400 -0.303 0.000 2.209 591 K HA -0.206 4.109 4.320 -0.008 0.000 0.204 591 K C 1.993 178.496 176.600 -0.162 0.000 1.048 591 K CA 1.115 57.242 56.287 -0.266 0.000 0.940 591 K CB -0.274 31.994 32.500 -0.386 0.000 0.729 591 K HN 0.157 nan 8.250 nan 0.000 0.451 592 K N 1.503 121.813 120.400 -0.149 0.000 2.031 592 K HA -0.070 4.246 4.320 -0.008 0.000 0.205 592 K C 0.164 176.717 176.600 -0.077 0.000 1.049 592 K CA 1.271 57.497 56.287 -0.101 0.000 0.939 592 K CB 0.328 32.772 32.500 -0.094 0.000 0.717 592 K HN 0.052 nan 8.250 nan 0.000 0.438 593 E N -0.194 119.958 120.200 -0.079 0.000 3.108 593 E HA 0.155 4.500 4.350 -0.008 0.000 0.228 593 E C -2.298 174.267 176.600 -0.058 0.000 1.176 593 E CA -1.584 54.783 56.400 -0.056 0.000 0.881 593 E CB 1.578 31.251 29.700 -0.045 0.000 1.354 593 E HN 0.087 nan 8.360 nan 0.000 0.400 594 P HA -0.173 nan 4.420 nan 0.000 0.216 594 P C 0.223 177.507 177.300 -0.026 0.000 1.150 594 P CA 1.286 64.356 63.100 -0.050 0.000 0.843 594 P CB 0.190 31.865 31.700 -0.042 0.000 0.787 595 N N -1.306 117.387 118.700 -0.012 0.000 2.313 595 N HA 0.007 4.743 4.740 -0.008 0.000 0.207 595 N C 0.434 175.961 175.510 0.029 0.000 1.141 595 N CA 0.013 53.069 53.050 0.011 0.000 0.830 595 N CB -0.046 38.448 38.487 0.011 0.000 1.008 595 N HN 0.016 nan 8.380 nan 0.000 0.481 596 K N 1.177 121.586 120.400 0.015 0.000 2.172 596 K HA 0.145 4.460 4.320 -0.008 0.000 0.276 596 K C -0.865 175.771 176.600 0.060 0.000 1.013 596 K CA -0.585 55.724 56.287 0.038 0.000 0.913 596 K CB 0.578 33.079 32.500 0.002 0.000 1.055 596 K HN -0.044 nan 8.250 nan 0.000 0.461 597 F N 4.542 124.479 119.950 -0.023 0.000 2.471 597 F HA 0.219 4.741 4.527 -0.008 0.000 0.353 597 F C -0.365 175.420 175.800 -0.025 0.000 1.113 597 F CA -0.010 57.978 58.000 -0.021 0.000 1.262 597 F CB 0.625 39.615 39.000 -0.016 0.000 1.146 597 F HN 0.198 nan 8.300 nan 0.000 0.578 598 V N 4.066 123.325 119.914 -1.093 0.000 2.888 598 V HA 0.503 4.618 4.120 -0.008 0.000 0.309 598 V C -0.929 174.547 176.094 -1.030 0.000 1.114 598 V CA -1.223 60.604 62.300 -0.789 0.000 0.940 598 V CB 0.843 32.433 31.823 -0.388 0.000 1.021 598 V HN 0.603 nan 8.190 nan 0.000 0.426 599 V N 4.920 124.483 119.914 -0.585 0.000 2.493 599 V HA 0.187 4.302 4.120 -0.008 0.000 0.292 599 V C -1.812 174.123 176.094 -0.264 0.000 1.016 599 V CA -0.364 61.745 62.300 -0.317 0.000 1.097 599 V CB 0.456 32.220 31.823 -0.098 0.000 0.947 599 V HN 0.903 nan 8.190 nan 0.000 0.479 600 P HA 0.271 nan 4.420 nan 0.000 0.268 600 P C -0.369 176.846 177.300 -0.141 0.000 1.204 600 P CA 0.133 63.154 63.100 -0.131 0.000 0.768 600 P CB 0.470 32.142 31.700 -0.047 0.000 0.842 601 R N 1.306 121.732 120.500 -0.124 0.000 2.725 601 R HA 0.574 4.909 4.340 -0.008 0.000 0.277 601 R C -0.877 175.377 176.300 -0.077 0.000 0.987 601 R CA -0.650 55.377 56.100 -0.122 0.000 0.901 601 R CB 2.085 32.296 30.300 -0.148 0.000 1.207 601 R HN 0.272 nan 8.270 nan 0.000 0.463 602 T N 1.939 116.460 114.554 -0.056 0.000 2.864 602 T HA 0.247 4.592 4.350 -0.008 0.000 0.310 602 T C -0.463 174.147 174.700 -0.151 0.000 1.040 602 T CA -0.463 61.565 62.100 -0.121 0.000 0.977 602 T CB 1.208 69.943 68.868 -0.223 0.000 0.976 602 T HN 0.137 nan 8.240 nan 0.000 0.459 603 V N 5.849 125.683 119.914 -0.134 0.000 2.364 603 V HA 0.427 4.542 4.120 -0.008 0.000 0.272 603 V C 0.060 176.072 176.094 -0.137 0.000 1.036 603 V CA -0.399 61.828 62.300 -0.121 0.000 0.880 603 V CB 0.755 32.522 31.823 -0.092 0.000 0.991 603 V HN 0.850 nan 8.190 nan 0.000 0.460 604 M N 6.635 126.143 119.600 -0.153 0.000 2.167 604 M HA 0.607 5.082 4.480 -0.008 0.000 0.333 604 M C -0.965 175.226 176.300 -0.182 0.000 1.030 604 M CA -0.135 55.066 55.300 -0.165 0.000 0.963 604 M CB 1.875 34.375 32.600 -0.166 0.000 1.589 604 M HN 0.426 nan 8.290 nan 0.000 0.431 605 I N 1.971 122.415 120.570 -0.210 0.000 2.498 605 I HA 0.816 4.981 4.170 -0.008 0.000 0.290 605 I C 0.065 175.859 176.117 -0.538 0.000 1.032 605 I CA -0.648 60.504 61.300 -0.248 0.000 1.073 605 I CB 2.283 40.228 38.000 -0.091 0.000 1.251 605 I HN 0.793 nan 8.210 nan 0.000 0.426 606 G N 2.985 111.434 108.800 -0.585 0.000 2.690 606 G HA2 0.830 4.786 3.960 -0.008 0.000 0.293 606 G HA3 0.830 4.786 3.960 -0.008 0.000 0.293 606 G C -1.023 173.587 174.900 -0.484 0.000 1.399 606 G CA -0.768 43.828 45.100 -0.840 0.000 0.890 606 G HN 0.987 nan 8.290 nan 0.000 0.485 607 G N -0.341 108.328 108.800 -0.218 0.000 2.352 607 G HA2 0.405 4.361 3.960 -0.008 0.000 0.303 607 G HA3 0.405 4.361 3.960 -0.008 0.000 0.303 607 G C -1.258 173.787 174.900 0.241 0.000 1.593 607 G CA -1.035 44.109 45.100 0.073 0.000 0.963 607 G HN 0.607 nan 8.290 nan 0.000 0.685 608 K N -0.140 120.389 120.400 0.216 0.000 2.098 608 K HA 0.755 5.071 4.320 -0.008 0.000 0.258 608 K C 0.210 176.930 176.600 0.199 0.000 0.973 608 K CA -0.201 56.226 56.287 0.233 0.000 0.898 608 K CB 2.024 34.569 32.500 0.075 0.000 1.057 608 K HN 0.874 nan 8.250 nan 0.000 0.447 609 A N 1.388 124.361 122.820 0.256 0.000 2.330 609 A HA 0.633 4.948 4.320 -0.008 0.000 0.327 609 A C -0.484 177.270 177.584 0.283 0.000 1.155 609 A CA -0.757 51.366 52.037 0.145 0.000 0.803 609 A CB 1.080 20.099 19.000 0.033 0.000 1.208 609 A HN 0.773 nan 8.150 nan 0.000 0.477 610 A N 3.878 126.857 122.820 0.265 0.000 2.540 610 A HA 0.454 4.770 4.320 -0.008 0.000 0.239 610 A C -1.293 176.419 177.584 0.213 0.000 1.061 610 A CA -0.696 51.521 52.037 0.301 0.000 0.758 610 A CB -0.405 18.770 19.000 0.290 0.000 0.991 610 A HN 0.619 nan 8.150 nan 0.000 0.502 611 P HA -0.194 nan 4.420 nan 0.000 0.218 611 P C 1.290 178.617 177.300 0.045 0.000 1.154 611 P CA 2.204 65.286 63.100 -0.030 0.000 0.872 611 P CB 0.182 31.816 31.700 -0.110 0.000 0.790 612 G N -3.228 105.633 108.800 0.101 0.000 3.284 612 G HA2 -0.054 3.901 3.960 -0.008 0.000 0.236 612 G HA3 -0.054 3.901 3.960 -0.008 0.000 0.236 612 G C -0.305 174.706 174.900 0.185 0.000 1.158 612 G CA -0.135 45.030 45.100 0.109 0.000 0.774 612 G HN 0.312 nan 8.290 nan 0.000 0.545 613 Y N 1.440 121.778 120.300 0.064 0.000 2.691 613 Y HA 0.216 4.762 4.550 -0.008 0.000 0.338 613 Y C 1.729 177.678 175.900 0.082 0.000 1.148 613 Y CA -1.161 56.980 58.100 0.068 0.000 1.430 613 Y CB 0.278 38.768 38.460 0.050 0.000 1.303 613 Y HN 0.357 nan 8.280 nan 0.000 0.499 614 H N 3.394 122.619 119.070 0.258 0.000 2.265 614 H HA -0.298 4.254 4.556 -0.008 0.000 0.293 614 H C 1.986 177.363 175.328 0.080 0.000 1.089 614 H CA 2.941 59.072 56.048 0.138 0.000 1.244 614 H CB 0.164 29.994 29.762 0.113 0.000 1.355 614 H HN 0.706 nan 8.280 nan 0.000 0.485 615 M N 0.373 119.950 119.600 -0.038 0.000 2.108 615 M HA -0.085 4.391 4.480 -0.008 0.000 0.261 615 M C 2.406 178.470 176.300 -0.393 0.000 1.066 615 M CA 1.950 57.133 55.300 -0.194 0.000 1.107 615 M CB -0.849 31.787 32.600 0.059 0.000 1.356 615 M HN 0.422 nan 8.290 nan 0.000 0.406 616 A N -0.526 121.841 122.820 -0.755 0.000 1.933 616 A HA -0.196 4.119 4.320 -0.008 0.000 0.218 616 A C 2.201 179.589 177.584 -0.328 0.000 1.175 616 A CA 1.880 53.496 52.037 -0.700 0.000 0.628 616 A CB -0.644 17.746 19.000 -1.015 0.000 0.814 616 A HN 0.591 nan 8.150 nan 0.000 0.444 617 K N -1.198 119.070 120.400 -0.220 0.000 2.155 617 K HA -0.003 4.313 4.320 -0.008 0.000 0.203 617 K C 1.857 178.412 176.600 -0.075 0.000 1.052 617 K CA 1.088 57.330 56.287 -0.074 0.000 0.948 617 K CB -0.175 32.356 32.500 0.053 0.000 0.728 617 K HN 0.341 nan 8.250 nan 0.000 0.448 618 M N 0.483 119.992 119.600 -0.152 0.000 2.254 618 M HA -0.050 4.425 4.480 -0.008 0.000 0.265 618 M C 2.033 178.263 176.300 -0.116 0.000 1.066 618 M CA 1.318 56.560 55.300 -0.097 0.000 1.123 618 M CB -0.492 32.028 32.600 -0.133 0.000 1.388 618 M HN 0.125 nan 8.290 nan 0.000 0.425 619 I N -0.353 120.111 120.570 -0.176 0.000 2.315 619 I HA -0.272 3.894 4.170 -0.008 0.000 0.248 619 I C 2.236 178.218 176.117 -0.226 0.000 1.117 619 I CA 0.935 62.120 61.300 -0.191 0.000 1.404 619 I CB -0.229 37.658 38.000 -0.189 0.000 1.071 619 I HN 0.162 nan 8.210 nan 0.000 0.419 620 I N 0.699 121.114 120.570 -0.258 0.000 2.252 620 I HA -0.287 3.879 4.170 -0.008 0.000 0.245 620 I C 2.594 178.426 176.117 -0.475 0.000 1.102 620 I CA 1.153 62.205 61.300 -0.414 0.000 1.385 620 I CB -0.268 37.458 38.000 -0.457 0.000 1.064 620 I HN 0.142 nan 8.210 nan 0.000 0.414 621 K N 1.458 121.593 120.400 -0.442 0.000 2.057 621 K HA -0.211 4.104 4.320 -0.008 0.000 0.207 621 K C 1.989 178.421 176.600 -0.280 0.000 1.049 621 K CA 1.576 57.525 56.287 -0.564 0.000 0.931 621 K CB -0.639 31.265 32.500 -0.992 0.000 0.714 621 K HN 0.137 nan 8.250 nan 0.000 0.440 622 L N 0.718 121.813 121.223 -0.212 0.000 2.042 622 L HA -0.054 4.282 4.340 -0.008 0.000 0.210 622 L C 2.005 178.633 176.870 -0.403 0.000 1.076 622 L CA 1.652 56.202 54.840 -0.483 0.000 0.749 622 L CB -0.416 41.252 42.059 -0.652 0.000 0.893 622 L HN 0.301 nan 8.230 nan 0.000 0.432 623 I N -0.563 119.823 120.570 -0.307 0.000 2.163 623 I HA -0.336 3.830 4.170 -0.008 0.000 0.243 623 I C 2.458 178.466 176.117 -0.182 0.000 1.085 623 I CA 1.894 63.065 61.300 -0.215 0.000 1.347 623 I CB -0.882 37.068 38.000 -0.084 0.000 1.044 623 I HN 0.496 nan 8.210 nan 0.000 0.408 624 T N -0.745 113.679 114.554 -0.217 0.000 2.821 624 T HA -0.083 4.262 4.350 -0.008 0.000 0.267 624 T C 1.982 176.618 174.700 -0.107 0.000 1.046 624 T CA 0.958 62.966 62.100 -0.154 0.000 1.139 624 T CB -0.494 68.242 68.868 -0.220 0.000 0.871 624 T HN 0.347 nan 8.240 nan 0.000 0.454 625 A N 1.532 124.282 122.820 -0.117 0.000 1.933 625 A HA 0.132 4.448 4.320 -0.008 0.000 0.218 625 A C 2.397 179.984 177.584 0.006 0.000 1.175 625 A CA 1.284 53.318 52.037 -0.004 0.000 0.628 625 A CB -0.823 18.264 19.000 0.144 0.000 0.814 625 A HN 0.593 nan 8.150 nan 0.000 0.444 626 I N -0.389 120.067 120.570 -0.190 0.000 2.226 626 I HA -0.197 3.968 4.170 -0.008 0.000 0.245 626 I C 2.704 178.774 176.117 -0.079 0.000 1.100 626 I CA 1.120 62.268 61.300 -0.254 0.000 1.374 626 I CB -0.626 37.107 38.000 -0.444 0.000 1.057 626 I HN 0.404 nan 8.210 nan 0.000 0.413 627 G N 0.414 109.172 108.800 -0.069 0.000 2.418 627 G HA2 -0.253 3.702 3.960 -0.008 0.000 0.217 627 G HA3 -0.253 3.702 3.960 -0.008 0.000 0.217 627 G C 1.234 176.173 174.900 0.066 0.000 1.158 627 G CA 0.898 45.986 45.100 -0.020 0.000 0.771 627 G HN 0.281 nan 8.290 nan 0.000 0.545 628 D N 0.015 120.468 120.400 0.089 0.000 2.182 628 D HA -0.081 4.555 4.640 -0.008 0.000 0.201 628 D C 2.687 179.098 176.300 0.185 0.000 0.986 628 D CA 0.659 54.748 54.000 0.148 0.000 0.847 628 D CB -0.138 40.685 40.800 0.039 0.000 0.942 628 D HN 0.260 nan 8.370 nan 0.000 0.467 629 V N 0.062 120.045 119.914 0.114 0.000 2.300 629 V HA -0.131 3.985 4.120 -0.008 0.000 0.241 629 V C 2.600 178.700 176.094 0.009 0.000 1.034 629 V CA 0.720 63.052 62.300 0.053 0.000 1.021 629 V CB -0.373 31.493 31.823 0.071 0.000 0.662 629 V HN 0.018 nan 8.190 nan 0.000 0.458 630 V N 1.136 120.987 119.914 -0.105 0.000 2.295 630 V HA -0.230 3.885 4.120 -0.008 0.000 0.246 630 V C 2.173 178.273 176.094 0.010 0.000 1.049 630 V CA 2.137 64.367 62.300 -0.117 0.000 1.024 630 V CB -0.912 30.822 31.823 -0.149 0.000 0.648 630 V HN 0.579 nan 8.190 nan 0.000 0.447 631 N N -0.306 118.376 118.700 -0.030 0.000 2.520 631 N HA -0.098 4.638 4.740 -0.008 0.000 0.185 631 N C 1.134 176.440 175.510 -0.339 0.000 1.068 631 N CA 0.915 53.861 53.050 -0.174 0.000 0.911 631 N CB -0.279 38.055 38.487 -0.255 0.000 0.961 631 N HN 0.677 nan 8.380 nan 0.000 0.446 632 H N -1.300 117.787 119.070 0.027 0.000 2.674 632 H HA 0.211 4.762 4.556 -0.007 0.000 0.274 632 H C -0.549 174.808 175.328 0.048 0.000 1.121 632 H CA -0.501 55.565 56.048 0.030 0.000 1.132 632 H CB 0.510 30.280 29.762 0.013 0.000 1.606 632 H HN 0.001 nan 8.280 nan 0.000 0.558 633 D N 1.535 122.026 120.400 0.151 0.000 2.347 633 D HA 0.058 4.693 4.640 -0.008 0.000 0.235 633 D C -1.657 174.708 176.300 0.109 0.000 1.149 633 D CA -1.972 52.128 54.000 0.165 0.000 0.850 633 D CB 1.732 42.710 40.800 0.297 0.000 1.061 633 D HN 0.082 nan 8.370 nan 0.000 0.487 634 P HA -0.161 nan 4.420 nan 0.000 0.216 634 P C 1.580 178.905 177.300 0.042 0.000 1.153 634 P CA 0.558 63.690 63.100 0.053 0.000 0.858 634 P CB 0.408 32.135 31.700 0.045 0.000 0.789 635 V N -0.798 119.141 119.914 0.041 0.000 2.490 635 V HA -0.169 3.946 4.120 -0.008 0.000 0.250 635 V C 2.379 178.479 176.094 0.010 0.000 1.061 635 V CA 1.526 63.835 62.300 0.016 0.000 1.064 635 V CB -1.015 30.805 31.823 -0.006 0.000 0.670 635 V HN -0.006 nan 8.190 nan 0.000 0.461 636 V N -0.230 119.708 119.914 0.040 0.000 2.453 636 V HA 0.131 4.247 4.120 -0.008 0.000 0.247 636 V C 1.791 177.897 176.094 0.020 0.000 1.048 636 V CA 1.431 63.754 62.300 0.038 0.000 1.049 636 V CB -1.180 30.712 31.823 0.116 0.000 0.672 636 V HN 0.729 nan 8.190 nan 0.000 0.457 637 G N 1.693 110.509 108.800 0.027 0.000 2.550 637 G HA2 -0.362 3.593 3.960 -0.008 0.000 0.277 637 G HA3 -0.362 3.593 3.960 -0.008 0.000 0.277 637 G C 0.190 175.097 174.900 0.011 0.000 1.190 637 G CA 0.448 45.559 45.100 0.019 0.000 0.971 637 G HN 0.705 nan 8.290 nan 0.000 0.559 638 D N 0.156 120.562 120.400 0.011 0.000 2.491 638 D HA 0.291 4.926 4.640 -0.008 0.000 0.228 638 D C 1.690 177.982 176.300 -0.013 0.000 1.183 638 D CA -0.031 53.970 54.000 0.003 0.000 0.827 638 D CB 0.026 40.839 40.800 0.021 0.000 0.989 638 D HN 0.597 nan 8.370 nan 0.000 0.494 639 R N -0.721 119.763 120.500 -0.026 0.000 2.210 639 R HA 0.289 4.625 4.340 -0.008 0.000 0.203 639 R C -0.066 176.191 176.300 -0.071 0.000 1.010 639 R CA 0.160 56.224 56.100 -0.061 0.000 1.008 639 R CB 0.346 30.596 30.300 -0.084 0.000 0.923 639 R HN 0.118 nan 8.270 nan 0.000 0.469 640 L N 0.484 121.682 121.223 -0.043 0.000 2.543 640 L HA 0.421 4.757 4.340 -0.008 0.000 0.265 640 L C -1.653 175.194 176.870 -0.039 0.000 0.945 640 L CA -0.537 54.276 54.840 -0.045 0.000 0.869 640 L CB 1.797 43.844 42.059 -0.020 0.000 1.294 640 L HN -0.155 nan 8.230 nan 0.000 0.405 641 R N 3.822 124.284 120.500 -0.065 0.000 2.628 641 R HA 0.768 5.103 4.340 -0.008 0.000 0.288 641 R C -1.674 174.572 176.300 -0.090 0.000 0.980 641 R CA -0.779 55.275 56.100 -0.077 0.000 0.891 641 R CB 2.459 32.705 30.300 -0.092 0.000 1.188 641 R HN 0.426 nan 8.270 nan 0.000 0.450 642 V N 4.996 124.861 119.914 -0.083 0.000 2.407 642 V HA 0.472 4.587 4.120 -0.008 0.000 0.291 642 V C -0.426 175.630 176.094 -0.064 0.000 1.018 642 V CA -0.710 61.541 62.300 -0.081 0.000 0.842 642 V CB 1.597 33.370 31.823 -0.083 0.000 0.996 642 V HN 0.517 nan 8.190 nan 0.000 0.426 643 I N 4.977 125.505 120.570 -0.071 0.000 2.465 643 I HA 0.451 4.617 4.170 -0.008 0.000 0.291 643 I C -0.693 175.406 176.117 -0.031 0.000 1.014 643 I CA -0.441 60.828 61.300 -0.052 0.000 1.093 643 I CB 1.896 39.837 38.000 -0.098 0.000 1.267 643 I HN 0.548 nan 8.210 nan 0.000 0.431 644 F N 7.017 126.902 119.950 -0.108 0.000 2.385 644 F HA 0.506 5.029 4.527 -0.007 0.000 0.360 644 F C -0.603 175.131 175.800 -0.111 0.000 1.122 644 F CA -0.760 57.176 58.000 -0.105 0.000 1.090 644 F CB 0.643 39.584 39.000 -0.098 0.000 1.150 644 F HN 0.147 nan 8.300 nan 0.000 0.472 645 L N 5.957 126.769 121.223 -0.686 0.000 2.485 645 L HA 0.129 4.464 4.340 -0.008 0.000 0.279 645 L C 0.374 176.962 176.870 -0.470 0.000 1.124 645 L CA 0.234 54.801 54.840 -0.456 0.000 0.888 645 L CB -0.064 41.818 42.059 -0.295 0.000 1.217 645 L HN 0.617 nan 8.230 nan 0.000 0.464 646 E N 3.314 123.384 120.200 -0.217 0.000 2.373 646 E HA -0.022 4.323 4.350 -0.008 0.000 0.267 646 E C 0.492 177.160 176.600 0.114 0.000 1.032 646 E CA -0.220 56.207 56.400 0.044 0.000 0.889 646 E CB 0.292 30.007 29.700 0.025 0.000 0.984 646 E HN 0.539 nan 8.360 nan 0.000 0.425 647 N N 2.634 121.460 118.700 0.210 0.000 2.738 647 N HA -0.283 4.453 4.740 -0.008 0.000 0.249 647 N C -1.551 174.067 175.510 0.180 0.000 1.047 647 N CA 0.527 53.698 53.050 0.202 0.000 0.707 647 N CB -1.520 37.101 38.487 0.224 0.000 0.937 647 N HN 0.475 nan 8.380 nan 0.000 0.545 648 Y N 1.492 121.808 120.300 0.026 0.000 2.717 648 Y HA 0.191 4.736 4.550 -0.008 0.000 0.330 648 Y C 1.136 177.062 175.900 0.044 0.000 1.217 648 Y CA 0.603 58.706 58.100 0.004 0.000 1.506 648 Y CB 0.329 38.759 38.460 -0.051 0.000 1.268 648 Y HN 0.386 nan 8.280 nan 0.000 0.561 649 R N 2.402 122.600 120.500 -0.504 0.000 2.762 649 R HA 0.464 4.799 4.340 -0.008 0.000 0.271 649 R C -0.396 175.576 176.300 -0.546 0.000 1.038 649 R CA -0.598 55.273 56.100 -0.380 0.000 0.906 649 R CB 0.323 30.588 30.300 -0.059 0.000 1.259 649 R HN 0.353 nan 8.270 nan 0.000 0.457 650 V N 1.073 120.700 119.914 -0.478 0.000 2.282 650 V HA -0.297 3.818 4.120 -0.008 0.000 0.249 650 V C 2.564 178.538 176.094 -0.199 0.000 1.057 650 V CA 2.842 64.918 62.300 -0.374 0.000 1.032 650 V CB -0.847 30.729 31.823 -0.413 0.000 0.645 650 V HN 0.929 nan 8.190 nan 0.000 0.447 651 S N 0.033 115.643 115.700 -0.151 0.000 2.399 651 S HA -0.173 4.292 4.470 -0.008 0.000 0.231 651 S C 1.907 176.468 174.600 -0.065 0.000 1.022 651 S CA 1.642 59.783 58.200 -0.098 0.000 0.983 651 S CB -0.513 62.660 63.200 -0.045 0.000 0.803 651 S HN 0.397 nan 8.310 nan 0.000 0.480 652 L N 1.855 123.043 121.223 -0.059 0.000 2.179 652 L HA 0.356 4.692 4.340 -0.008 0.000 0.208 652 L C 2.638 179.520 176.870 0.021 0.000 1.096 652 L CA 1.315 56.164 54.840 0.014 0.000 0.779 652 L CB -1.231 40.891 42.059 0.105 0.000 0.922 652 L HN 0.344 nan 8.230 nan 0.000 0.443 653 A N -0.726 122.079 122.820 -0.025 0.000 1.933 653 A HA -0.217 4.099 4.320 -0.008 0.000 0.218 653 A C 2.117 179.761 177.584 0.100 0.000 1.175 653 A CA 1.733 53.831 52.037 0.102 0.000 0.628 653 A CB -0.559 18.478 19.000 0.063 0.000 0.814 653 A HN 0.594 nan 8.150 nan 0.000 0.444 654 E N -0.392 119.847 120.200 0.065 0.000 2.268 654 E HA -0.148 4.198 4.350 -0.008 0.000 0.195 654 E C 1.843 178.410 176.600 -0.055 0.000 0.995 654 E CA 1.110 57.508 56.400 -0.003 0.000 0.836 654 E CB -0.037 29.573 29.700 -0.151 0.000 0.763 654 E HN 0.621 nan 8.360 nan 0.000 0.491 655 K N 0.081 120.430 120.400 -0.085 0.000 2.141 655 K HA 0.024 4.339 4.320 -0.008 0.000 0.202 655 K C 2.172 178.566 176.600 -0.342 0.000 1.045 655 K CA 0.450 56.664 56.287 -0.121 0.000 0.971 655 K CB 0.015 32.456 32.500 -0.098 0.000 0.795 655 K HN -0.044 nan 8.250 nan 0.000 0.459 656 V N 1.943 121.560 119.914 -0.495 0.000 2.488 656 V HA -0.127 3.988 4.120 -0.008 0.000 0.246 656 V C 1.899 177.736 176.094 -0.428 0.000 1.046 656 V CA 1.211 62.990 62.300 -0.868 0.000 1.053 656 V CB -0.172 31.273 31.823 -0.630 0.000 0.679 656 V HN 0.243 nan 8.190 nan 0.000 0.458 657 I N 0.698 121.081 120.570 -0.312 0.000 2.208 657 I HA -0.142 4.023 4.170 -0.008 0.000 0.245 657 I C -0.261 175.738 176.117 -0.198 0.000 1.097 657 I CA 1.698 62.752 61.300 -0.411 0.000 1.363 657 I CB -1.517 36.118 38.000 -0.609 0.000 1.051 657 I HN 0.377 nan 8.210 nan 0.000 0.413 658 P HA -0.088 nan 4.420 nan 0.000 0.226 658 P C 0.929 178.220 177.300 -0.014 0.000 1.153 658 P CA 1.120 64.192 63.100 -0.047 0.000 0.777 658 P CB 0.070 31.751 31.700 -0.031 0.000 0.794 659 A N -1.225 121.568 122.820 -0.046 0.000 2.275 659 A HA 0.491 4.807 4.320 -0.008 0.000 0.212 659 A C 1.129 178.810 177.584 0.161 0.000 1.201 659 A CA 0.052 52.117 52.037 0.046 0.000 0.843 659 A CB -0.613 18.424 19.000 0.061 0.000 0.873 659 A HN 0.187 nan 8.150 nan 0.000 0.492 660 A N -0.255 122.661 122.820 0.159 0.000 2.340 660 A HA 0.502 4.817 4.320 -0.008 0.000 0.268 660 A C 0.338 178.063 177.584 0.235 0.000 1.100 660 A CA -0.192 52.001 52.037 0.261 0.000 0.803 660 A CB 0.413 19.652 19.000 0.398 0.000 1.043 660 A HN 0.254 nan 8.150 nan 0.000 0.488 661 D N -0.022 120.514 120.400 0.227 0.000 2.431 661 D HA 0.118 4.753 4.640 -0.008 0.000 0.235 661 D C -0.305 176.203 176.300 0.347 0.000 0.980 661 D CA 0.761 54.945 54.000 0.306 0.000 0.912 661 D CB 0.281 41.167 40.800 0.142 0.000 1.056 661 D HN 0.335 nan 8.370 nan 0.000 0.494 662 L N 0.679 121.992 121.223 0.150 0.000 2.356 662 L HA 0.370 4.706 4.340 -0.008 0.000 0.277 662 L C -0.744 176.009 176.870 -0.193 0.000 0.996 662 L CA -0.530 54.325 54.840 0.024 0.000 0.822 662 L CB 2.076 44.128 42.059 -0.011 0.000 1.256 662 L HN -0.277 nan 8.230 nan 0.000 0.413 663 S N 4.142 119.642 115.700 -0.333 0.000 2.429 663 S HA 0.451 4.916 4.470 -0.008 0.000 0.302 663 S C -0.607 173.728 174.600 -0.441 0.000 1.115 663 S CA -0.640 57.127 58.200 -0.723 0.000 1.095 663 S CB 0.374 63.079 63.200 -0.825 0.000 0.987 663 S HN 0.628 nan 8.310 nan 0.000 0.474 664 E N 4.143 124.094 120.200 -0.415 0.000 2.089 664 E HA 0.205 4.551 4.350 -0.008 0.000 0.284 664 E C -0.543 175.949 176.600 -0.180 0.000 1.023 664 E CA -0.389 55.888 56.400 -0.205 0.000 0.819 664 E CB 0.963 30.571 29.700 -0.153 0.000 1.076 664 E HN 0.600 nan 8.360 nan 0.000 0.396 665 Q N 2.825 122.573 119.800 -0.088 0.000 2.907 665 Q HA 0.266 4.602 4.340 -0.008 0.000 0.262 665 Q C 0.597 176.586 176.000 -0.017 0.000 0.997 665 Q CA -0.136 55.628 55.803 -0.065 0.000 0.797 665 Q CB 0.294 29.004 28.738 -0.046 0.000 1.228 665 Q HN 0.612 nan 8.270 nan 0.000 0.466 666 I N -1.586 118.961 120.570 -0.037 0.000 3.736 666 I HA 0.268 4.434 4.170 -0.008 0.000 0.338 666 I C 0.433 176.498 176.117 -0.086 0.000 1.558 666 I CA -0.664 60.620 61.300 -0.026 0.000 1.147 666 I CB 0.316 38.309 38.000 -0.011 0.000 1.275 666 I HN 0.002 nan 8.210 nan 0.000 0.454 667 S N 0.349 116.000 115.700 -0.082 0.000 2.573 667 S HA 0.184 4.650 4.470 -0.008 0.000 0.277 667 S C 0.558 175.139 174.600 -0.033 0.000 1.346 667 S CA -0.279 57.891 58.200 -0.051 0.000 1.034 667 S CB 0.420 63.641 63.200 0.034 0.000 0.879 667 S HN 0.385 nan 8.310 nan 0.000 0.528 668 T N 2.665 117.231 114.554 0.021 0.000 2.902 668 T HA 0.397 4.743 4.350 -0.008 0.000 0.301 668 T C 0.743 175.452 174.700 0.015 0.000 1.012 668 T CA 0.252 62.371 62.100 0.033 0.000 1.151 668 T CB 0.061 69.023 68.868 0.156 0.000 0.946 668 T HN 1.006 nan 8.240 nan 0.000 0.542 669 A N 2.736 125.534 122.820 -0.036 0.000 2.580 669 A HA 0.437 4.752 4.320 -0.008 0.000 0.244 669 A C 1.646 179.223 177.584 -0.013 0.000 1.045 669 A CA 0.352 52.364 52.037 -0.042 0.000 0.761 669 A CB -0.924 18.039 19.000 -0.061 0.000 0.962 669 A HN 1.677 nan 8.150 nan 0.000 0.512 670 G N 1.450 110.241 108.800 -0.015 0.000 2.176 670 G HA2 -0.249 3.706 3.960 -0.008 0.000 0.232 670 G HA3 -0.249 3.706 3.960 -0.008 0.000 0.232 670 G C 0.892 175.780 174.900 -0.021 0.000 0.986 670 G CA 1.120 46.213 45.100 -0.012 0.000 0.643 670 G HN 1.981 nan 8.290 nan 0.000 0.522 671 T N -2.434 112.105 114.554 -0.024 0.000 3.042 671 T HA 0.403 4.748 4.350 -0.008 0.000 0.245 671 T C 0.769 175.320 174.700 -0.250 0.000 1.029 671 T CA 1.085 63.108 62.100 -0.129 0.000 1.120 671 T CB 0.527 69.366 68.868 -0.049 0.000 0.917 671 T HN 0.278 nan 8.240 nan 0.000 0.467 672 E N 1.520 121.700 120.200 -0.033 0.000 2.044 672 E HA 0.662 5.008 4.350 -0.008 0.000 0.282 672 E C 1.169 177.714 176.600 -0.092 0.000 1.031 672 E CA 0.054 56.473 56.400 0.031 0.000 0.824 672 E CB 0.775 30.551 29.700 0.127 0.000 1.076 672 E HN 0.337 nan 8.360 nan 0.000 0.395 673 A N 3.434 126.119 122.820 -0.226 0.000 1.903 673 A HA -0.249 4.066 4.320 -0.008 0.000 0.219 673 A C 1.978 179.431 177.584 -0.218 0.000 1.191 673 A CA 2.419 54.182 52.037 -0.457 0.000 0.638 673 A CB -0.313 18.200 19.000 -0.813 0.000 0.823 673 A HN 0.614 nan 8.150 nan 0.000 0.451 674 S N -4.088 111.545 115.700 -0.111 0.000 3.984 674 S HA 0.455 4.921 4.470 -0.008 0.000 0.221 674 S C 0.657 175.244 174.600 -0.021 0.000 1.149 674 S CA 1.384 59.565 58.200 -0.032 0.000 0.950 674 S CB -0.074 63.132 63.200 0.010 0.000 1.216 674 S HN 2.328 nan 8.310 nan 0.000 0.547 675 G N 0.285 109.078 108.800 -0.013 0.000 2.719 675 G HA2 -0.007 3.948 3.960 -0.008 0.000 0.686 675 G HA3 -0.007 3.948 3.960 -0.008 0.000 0.686 675 G C 0.222 175.102 174.900 -0.033 0.000 1.201 675 G CA 0.447 45.537 45.100 -0.017 0.000 0.768 675 G HN 1.342 nan 8.290 nan 0.000 0.629 676 T N -1.976 112.546 114.554 -0.054 0.000 3.051 676 T HA 0.372 4.717 4.350 -0.008 0.000 0.254 676 T C 2.368 176.972 174.700 -0.160 0.000 0.916 676 T CA 1.259 63.300 62.100 -0.098 0.000 0.894 676 T CB 0.285 69.088 68.868 -0.109 0.000 1.251 676 T HN 1.896 nan 8.240 nan 0.000 0.517 677 G N 3.077 111.809 108.800 -0.113 0.000 2.442 677 G HA2 -0.256 3.699 3.960 -0.008 0.000 0.219 677 G HA3 -0.256 3.699 3.960 -0.008 0.000 0.219 677 G C 1.454 176.402 174.900 0.081 0.000 1.141 677 G CA 1.156 46.208 45.100 -0.081 0.000 0.763 677 G HN 0.836 nan 8.290 nan 0.000 0.554 678 N N 0.087 118.817 118.700 0.050 0.000 2.149 678 N HA -0.137 4.598 4.740 -0.008 0.000 0.188 678 N C 2.205 177.722 175.510 0.013 0.000 1.019 678 N CA 1.274 54.359 53.050 0.059 0.000 0.857 678 N CB -0.349 38.123 38.487 -0.026 0.000 0.997 678 N HN 0.342 nan 8.380 nan 0.000 0.426 679 M N 0.796 120.337 119.600 -0.099 0.000 2.175 679 M HA -0.026 4.450 4.480 -0.008 0.000 0.264 679 M C 2.001 178.257 176.300 -0.073 0.000 1.063 679 M CA 1.429 56.654 55.300 -0.125 0.000 1.119 679 M CB -0.078 32.454 32.600 -0.113 0.000 1.377 679 M HN 0.106 nan 8.290 nan 0.000 0.415 680 K N 0.057 120.342 120.400 -0.192 0.000 2.057 680 K HA -0.122 4.193 4.320 -0.008 0.000 0.207 680 K C 1.710 178.190 176.600 -0.200 0.000 1.049 680 K CA 1.421 57.526 56.287 -0.303 0.000 0.931 680 K CB -0.301 31.787 32.500 -0.687 0.000 0.714 680 K HN 0.154 nan 8.250 nan 0.000 0.440 681 F N 1.095 120.980 119.950 -0.109 0.000 2.146 681 F HA -0.119 4.403 4.527 -0.008 0.000 0.298 681 F C 2.575 178.353 175.800 -0.037 0.000 1.096 681 F CA 1.200 59.160 58.000 -0.066 0.000 1.275 681 F CB -0.316 38.633 39.000 -0.084 0.000 1.008 681 F HN -0.006 nan 8.300 nan 0.000 0.480 682 M N -0.436 119.254 119.600 0.150 0.000 2.159 682 M HA -0.191 4.284 4.480 -0.008 0.000 0.263 682 M C 2.062 178.421 176.300 0.099 0.000 1.063 682 M CA 1.576 56.936 55.300 0.101 0.000 1.110 682 M CB -0.220 32.437 32.600 0.095 0.000 1.374 682 M HN 0.267 nan 8.290 nan 0.000 0.411 683 L N 0.732 122.011 121.223 0.092 0.000 2.291 683 L HA -0.048 4.288 4.340 -0.008 0.000 0.214 683 L C 1.213 178.131 176.870 0.081 0.000 1.120 683 L CA 1.525 56.425 54.840 0.100 0.000 0.799 683 L CB -0.527 41.601 42.059 0.115 0.000 0.925 683 L HN 0.339 nan 8.230 nan 0.000 0.446 684 N N -0.125 118.613 118.700 0.063 0.000 2.251 684 N HA 0.181 4.916 4.740 -0.008 0.000 0.217 684 N C 0.826 176.374 175.510 0.064 0.000 1.124 684 N CA 0.768 53.849 53.050 0.051 0.000 0.843 684 N CB 0.561 39.056 38.487 0.012 0.000 1.024 684 N HN 0.401 nan 8.380 nan 0.000 0.501 685 G N 0.482 109.325 108.800 0.072 0.000 2.132 685 G HA2 -0.202 3.754 3.960 -0.008 0.000 0.228 685 G HA3 -0.202 3.754 3.960 -0.008 0.000 0.228 685 G C -0.020 174.953 174.900 0.123 0.000 1.000 685 G CA 0.144 45.290 45.100 0.076 0.000 0.693 685 G HN 0.526 nan 8.290 nan 0.000 0.515 686 A N -0.327 122.572 122.820 0.133 0.000 2.340 686 A HA 0.889 5.204 4.320 -0.008 0.000 0.331 686 A C 0.338 177.932 177.584 0.017 0.000 1.140 686 A CA -0.652 51.481 52.037 0.160 0.000 0.801 686 A CB 1.128 20.281 19.000 0.255 0.000 1.234 686 A HN 0.681 nan 8.150 nan 0.000 0.469 687 L N 0.718 121.915 121.223 -0.044 0.000 2.421 687 L HA 0.480 4.816 4.340 -0.008 0.000 0.263 687 L C 0.160 176.900 176.870 -0.216 0.000 1.122 687 L CA -0.362 54.343 54.840 -0.225 0.000 0.804 687 L CB 1.569 43.407 42.059 -0.369 0.000 1.150 687 L HN 0.699 nan 8.230 nan 0.000 0.457 688 T N 2.507 116.803 114.554 -0.431 0.000 2.792 688 T HA 0.470 4.815 4.350 -0.008 0.000 0.280 688 T C -0.486 174.074 174.700 -0.233 0.000 0.990 688 T CA -0.267 61.562 62.100 -0.451 0.000 0.960 688 T CB 1.581 69.984 68.868 -0.775 0.000 0.939 688 T HN 0.359 nan 8.240 nan 0.000 0.439 689 I N 2.896 123.434 120.570 -0.053 0.000 2.362 689 I HA 0.738 4.904 4.170 -0.008 0.000 0.289 689 I C 0.057 176.321 176.117 0.245 0.000 0.994 689 I CA 0.080 61.466 61.300 0.143 0.000 1.158 689 I CB 0.387 38.401 38.000 0.023 0.000 1.315 689 I HN 0.799 nan 8.210 nan 0.000 0.451 690 G N 3.972 113.004 108.800 0.386 0.000 2.550 690 G HA2 0.428 4.383 3.960 -0.008 0.000 0.293 690 G HA3 0.428 4.383 3.960 -0.008 0.000 0.293 690 G C -0.938 173.899 174.900 -0.105 0.000 1.402 690 G CA -0.310 44.935 45.100 0.242 0.000 0.784 690 G HN 0.593 nan 8.290 nan 0.000 0.482 691 T N -1.561 112.802 114.554 -0.320 0.000 2.847 691 T HA 0.539 4.884 4.350 -0.008 0.000 0.279 691 T C 0.664 175.254 174.700 -0.184 0.000 0.984 691 T CA -0.679 61.157 62.100 -0.440 0.000 0.988 691 T CB 1.169 69.789 68.868 -0.413 0.000 1.040 691 T HN 0.263 nan 8.240 nan 0.000 0.528 692 M N 2.839 122.340 119.600 -0.165 0.000 3.436 692 M HA 0.346 4.822 4.480 -0.008 0.000 0.240 692 M C -0.485 175.764 176.300 -0.085 0.000 1.469 692 M CA -0.136 55.103 55.300 -0.102 0.000 1.622 692 M CB -1.656 30.891 32.600 -0.089 0.000 1.098 692 M HN 0.734 nan 8.290 nan 0.000 0.568 693 D N -0.070 120.287 120.400 -0.072 0.000 2.601 693 D HA 0.685 5.320 4.640 -0.008 0.000 0.230 693 D C 0.758 177.037 176.300 -0.035 0.000 1.106 693 D CA 0.687 54.658 54.000 -0.049 0.000 0.873 693 D CB 1.773 42.545 40.800 -0.047 0.000 1.515 693 D HN 0.591 nan 8.370 nan 0.000 0.468 694 G N 1.565 110.352 108.800 -0.021 0.000 2.627 694 G HA2 -0.276 3.679 3.960 -0.008 0.000 0.312 694 G HA3 -0.276 3.679 3.960 -0.008 0.000 0.312 694 G C 1.074 175.966 174.900 -0.013 0.000 1.299 694 G CA 1.296 46.388 45.100 -0.014 0.000 0.989 694 G HN 1.055 nan 8.290 nan 0.000 0.547 695 A N -0.429 122.377 122.820 -0.023 0.000 2.168 695 A HA 0.061 4.377 4.320 -0.008 0.000 0.215 695 A C 2.130 179.649 177.584 -0.109 0.000 1.152 695 A CA 1.926 53.940 52.037 -0.039 0.000 0.716 695 A CB -0.462 18.498 19.000 -0.067 0.000 0.794 695 A HN 0.628 nan 8.150 nan 0.000 0.465 696 N N 0.488 119.136 118.700 -0.087 0.000 2.137 696 N HA -0.152 4.583 4.740 -0.008 0.000 0.190 696 N C 1.576 176.974 175.510 -0.188 0.000 1.017 696 N CA 1.590 54.589 53.050 -0.085 0.000 0.859 696 N CB -0.598 37.888 38.487 -0.002 0.000 1.002 696 N HN 0.298 nan 8.380 nan 0.000 0.428 697 V N 1.255 121.095 119.914 -0.124 0.000 2.295 697 V HA -0.210 3.906 4.120 -0.008 0.000 0.246 697 V C 1.942 177.962 176.094 -0.123 0.000 1.049 697 V CA 1.684 63.908 62.300 -0.127 0.000 1.024 697 V CB -0.486 31.296 31.823 -0.068 0.000 0.648 697 V HN 0.358 nan 8.190 nan 0.000 0.447 698 E N -0.578 119.602 120.200 -0.034 0.000 2.152 698 E HA -0.135 4.210 4.350 -0.008 0.000 0.192 698 E C 2.204 178.893 176.600 0.148 0.000 0.983 698 E CA 1.033 57.485 56.400 0.086 0.000 0.818 698 E CB -0.189 29.649 29.700 0.229 0.000 0.758 698 E HN 0.540 nan 8.360 nan 0.000 0.467 699 M N 0.571 120.137 119.600 -0.056 0.000 2.086 699 M HA -0.148 4.327 4.480 -0.008 0.000 0.261 699 M C 2.521 178.543 176.300 -0.463 0.000 1.067 699 M CA 1.592 56.782 55.300 -0.184 0.000 1.116 699 M CB -0.223 32.163 32.600 -0.358 0.000 1.348 699 M HN 0.146 nan 8.290 nan 0.000 0.407 700 A N -0.137 122.118 122.820 -0.942 0.000 1.933 700 A HA -0.225 4.090 4.320 -0.008 0.000 0.218 700 A C 1.983 179.342 177.584 -0.374 0.000 1.175 700 A CA 1.993 53.425 52.037 -1.009 0.000 0.628 700 A CB -0.838 17.656 19.000 -0.843 0.000 0.814 700 A HN 0.597 nan 8.150 nan 0.000 0.444 701 E N -0.441 119.621 120.200 -0.230 0.000 2.077 701 E HA -0.217 4.128 4.350 -0.008 0.000 0.193 701 E C 1.771 178.335 176.600 -0.061 0.000 0.989 701 E CA 1.273 57.608 56.400 -0.109 0.000 0.800 701 E CB -0.063 29.596 29.700 -0.067 0.000 0.746 701 E HN 0.558 nan 8.360 nan 0.000 0.452 702 E N 0.044 120.233 120.200 -0.018 0.000 2.072 702 E HA -0.113 4.233 4.350 -0.008 0.000 0.190 702 E C 1.834 178.447 176.600 0.023 0.000 0.982 702 E CA 1.123 57.536 56.400 0.022 0.000 0.803 702 E CB -0.144 29.621 29.700 0.110 0.000 0.755 702 E HN 0.359 nan 8.360 nan 0.000 0.453 703 A N 0.339 123.174 122.820 0.024 0.000 2.081 703 A HA 0.348 4.664 4.320 -0.008 0.000 0.214 703 A C 1.023 178.617 177.584 0.016 0.000 1.158 703 A CA 1.055 53.124 52.037 0.054 0.000 0.724 703 A CB 0.056 19.149 19.000 0.155 0.000 0.826 703 A HN 0.243 nan 8.150 nan 0.000 0.463 704 G N -0.436 108.344 108.800 -0.033 0.000 3.225 704 G HA2 -0.086 3.869 3.960 -0.008 0.000 0.686 704 G HA3 -0.086 3.869 3.960 -0.008 0.000 0.686 704 G C -0.042 174.834 174.900 -0.040 0.000 1.105 704 G CA -0.024 45.053 45.100 -0.037 0.000 0.831 704 G HN 0.254 nan 8.290 nan 0.000 0.578 705 E N 1.018 121.183 120.200 -0.057 0.000 2.209 705 E HA -0.172 4.173 4.350 -0.008 0.000 0.196 705 E C 1.976 178.562 176.600 -0.025 0.000 0.993 705 E CA 1.736 58.111 56.400 -0.041 0.000 0.819 705 E CB 0.088 29.763 29.700 -0.042 0.000 0.745 705 E HN 0.768 nan 8.360 nan 0.000 0.477 706 E N 0.733 120.907 120.200 -0.044 0.000 2.268 706 E HA -0.080 4.265 4.350 -0.008 0.000 0.195 706 E C 1.001 177.515 176.600 -0.143 0.000 0.995 706 E CA 0.610 56.964 56.400 -0.076 0.000 0.836 706 E CB -0.016 29.651 29.700 -0.056 0.000 0.763 706 E HN 0.165 nan 8.360 nan 0.000 0.491 707 N N -0.300 118.344 118.700 -0.093 0.000 2.251 707 N HA 0.132 4.867 4.740 -0.008 0.000 0.217 707 N C -0.900 174.530 175.510 -0.133 0.000 1.124 707 N CA 0.114 53.080 53.050 -0.140 0.000 0.843 707 N CB 0.362 38.824 38.487 -0.042 0.000 1.024 707 N HN 0.044 nan 8.380 nan 0.000 0.501 708 F N -0.433 119.289 119.950 -0.380 0.000 2.588 708 F HA 0.418 4.940 4.527 -0.009 0.000 0.314 708 F C -0.709 174.840 175.800 -0.418 0.000 1.069 708 F CA -1.176 56.631 58.000 -0.321 0.000 0.931 708 F CB 1.303 40.219 39.000 -0.141 0.000 1.260 708 F HN -0.223 nan 8.300 nan 0.000 0.465 709 F N 4.987 124.933 119.950 -0.007 0.000 2.318 709 F HA 0.376 4.898 4.527 -0.007 0.000 0.356 709 F C -0.272 175.650 175.800 0.204 0.000 1.109 709 F CA -0.622 57.410 58.000 0.053 0.000 1.234 709 F CB -0.099 38.874 39.000 -0.044 0.000 1.545 709 F HN -0.017 nan 8.300 nan 0.000 0.534 710 I N 3.726 124.499 120.570 0.338 0.000 2.472 710 I HA 0.376 4.542 4.170 -0.008 0.000 0.290 710 I C -0.046 176.268 176.117 0.328 0.000 1.016 710 I CA -0.643 60.825 61.300 0.281 0.000 1.348 710 I CB 0.647 38.736 38.000 0.149 0.000 1.417 710 I HN 0.357 nan 8.210 nan 0.000 0.521 711 F N 2.117 122.130 119.950 0.105 0.000 2.779 711 F HA 0.826 5.348 4.527 -0.008 0.000 0.316 711 F C -0.042 175.798 175.800 0.066 0.000 1.164 711 F CA -0.465 57.587 58.000 0.087 0.000 0.924 711 F CB 0.992 40.055 39.000 0.106 0.000 1.348 711 F HN 0.828 nan 8.300 nan 0.000 0.467 712 G N 0.892 109.742 108.800 0.082 0.000 2.796 712 G HA2 -0.068 3.887 3.960 -0.008 0.000 0.571 712 G HA3 -0.068 3.887 3.960 -0.008 0.000 0.571 712 G C -0.873 173.992 174.900 -0.057 0.000 1.370 712 G CA -0.550 44.527 45.100 -0.040 0.000 0.856 712 G HN 0.954 nan 8.290 nan 0.000 0.538 713 M N 0.818 120.396 119.600 -0.037 0.000 2.248 713 M HA 0.300 4.776 4.480 -0.008 0.000 0.337 713 M C 1.267 177.532 176.300 -0.059 0.000 1.121 713 M CA 0.015 55.302 55.300 -0.021 0.000 1.155 713 M CB 0.387 32.985 32.600 -0.004 0.000 1.514 713 M HN 0.533 nan 8.290 nan 0.000 0.452 714 R N 1.312 121.790 120.500 -0.036 0.000 2.549 714 R HA 0.314 4.649 4.340 -0.008 0.000 0.259 714 R C 1.190 177.470 176.300 -0.033 0.000 1.095 714 R CA -0.559 55.514 56.100 -0.044 0.000 1.148 714 R CB 0.131 30.413 30.300 -0.030 0.000 1.181 714 R HN 0.557 nan 8.270 nan 0.000 0.571 715 V N 1.482 121.376 119.914 -0.034 0.000 2.392 715 V HA -0.262 3.853 4.120 -0.008 0.000 0.249 715 V C 1.889 177.972 176.094 -0.018 0.000 1.059 715 V CA 1.978 64.262 62.300 -0.027 0.000 1.051 715 V CB -0.503 31.302 31.823 -0.029 0.000 0.658 715 V HN 0.617 nan 8.190 nan 0.000 0.455 716 E N 0.209 120.400 120.200 -0.015 0.000 2.077 716 E HA -0.188 4.158 4.350 -0.008 0.000 0.193 716 E C 1.974 178.577 176.600 0.004 0.000 0.989 716 E CA 1.434 57.830 56.400 -0.007 0.000 0.800 716 E CB -0.418 29.279 29.700 -0.005 0.000 0.746 716 E HN 0.615 nan 8.360 nan 0.000 0.452 717 D N -0.126 120.278 120.400 0.007 0.000 2.117 717 D HA -0.106 4.530 4.640 -0.008 0.000 0.198 717 D C 2.016 178.330 176.300 0.023 0.000 0.982 717 D CA 0.860 54.874 54.000 0.023 0.000 0.828 717 D CB -0.168 40.649 40.800 0.028 0.000 0.967 717 D HN 0.055 nan 8.370 nan 0.000 0.464 718 V N 1.920 121.836 119.914 0.003 0.000 2.261 718 V HA -0.233 3.882 4.120 -0.008 0.000 0.246 718 V C 2.036 178.130 176.094 -0.001 0.000 1.047 718 V CA 1.794 64.088 62.300 -0.010 0.000 1.015 718 V CB -0.447 31.361 31.823 -0.024 0.000 0.642 718 V HN 0.040 nan 8.190 nan 0.000 0.446 719 D N -0.176 120.223 120.400 -0.001 0.000 2.087 719 D HA -0.209 4.426 4.640 -0.008 0.000 0.192 719 D C 2.297 178.608 176.300 0.018 0.000 0.993 719 D CA 1.650 55.652 54.000 0.002 0.000 0.828 719 D CB -0.390 40.408 40.800 -0.003 0.000 0.968 719 D HN 0.289 nan 8.370 nan 0.000 0.448 720 R N 0.292 120.806 120.500 0.024 0.000 2.117 720 R HA -0.112 4.224 4.340 -0.008 0.000 0.243 720 R C 2.462 178.796 176.300 0.056 0.000 1.143 720 R CA 0.773 56.895 56.100 0.037 0.000 0.968 720 R CB -0.397 29.926 30.300 0.038 0.000 0.863 720 R HN 0.211 nan 8.270 nan 0.000 0.444 721 L N 0.256 121.520 121.223 0.068 0.000 2.093 721 L HA -0.171 4.164 4.340 -0.008 0.000 0.208 721 L C 1.407 178.340 176.870 0.105 0.000 1.085 721 L CA 1.329 56.235 54.840 0.110 0.000 0.755 721 L CB -0.231 41.903 42.059 0.126 0.000 0.904 721 L HN 0.278 nan 8.230 nan 0.000 0.435 722 D N -0.784 119.653 120.400 0.061 0.000 2.183 722 D HA -0.159 4.476 4.640 -0.008 0.000 0.203 722 D C 2.232 178.562 176.300 0.051 0.000 0.969 722 D CA 0.758 54.789 54.000 0.052 0.000 0.842 722 D CB 0.069 40.879 40.800 0.017 0.000 0.957 722 D HN 0.359 nan 8.370 nan 0.000 0.484 723 Q N 0.607 120.433 119.800 0.043 0.000 2.050 723 Q HA -0.110 4.226 4.340 -0.008 0.000 0.202 723 Q C 2.247 178.274 176.000 0.046 0.000 0.980 723 Q CA 0.880 56.706 55.803 0.037 0.000 0.840 723 Q CB -0.409 28.348 28.738 0.031 0.000 0.898 723 Q HN 0.307 nan 8.270 nan 0.000 0.424 724 R N -0.022 120.513 120.500 0.059 0.000 2.075 724 R HA -0.013 4.322 4.340 -0.008 0.000 0.232 724 R C 0.069 176.412 176.300 0.071 0.000 1.126 724 R CA 1.131 57.268 56.100 0.063 0.000 0.963 724 R CB 0.055 30.400 30.300 0.075 0.000 0.858 724 R HN 0.378 nan 8.270 nan 0.000 0.435 725 G N -0.236 108.623 108.800 0.098 0.000 3.363 725 G HA2 -0.225 3.731 3.960 -0.008 0.000 0.685 725 G HA3 -0.225 3.731 3.960 -0.008 0.000 0.685 725 G C -1.432 173.570 174.900 0.170 0.000 1.199 725 G CA -0.532 44.635 45.100 0.111 0.000 0.946 725 G HN 0.279 nan 8.290 nan 0.000 0.558 726 Y N 3.820 124.157 120.300 0.061 0.000 2.480 726 Y HA 0.546 5.091 4.550 -0.008 0.000 0.341 726 Y C 0.335 176.297 175.900 0.104 0.000 1.031 726 Y CA -0.950 57.205 58.100 0.091 0.000 1.295 726 Y CB 0.897 39.388 38.460 0.052 0.000 1.162 726 Y HN 0.540 nan 8.280 nan 0.000 0.523 727 N N 5.281 123.787 118.700 -0.323 0.000 2.626 727 N HA 0.254 4.989 4.740 -0.008 0.000 0.242 727 N C 0.280 175.568 175.510 -0.371 0.000 1.005 727 N CA 0.387 53.258 53.050 -0.297 0.000 0.905 727 N CB 1.468 39.902 38.487 -0.089 0.000 1.128 727 N HN 0.882 nan 8.380 nan 0.000 0.512 728 A N 2.959 125.443 122.820 -0.560 0.000 1.978 728 A HA -0.219 4.097 4.320 -0.008 0.000 0.220 728 A C 1.917 179.639 177.584 0.229 0.000 1.170 728 A CA 1.440 53.378 52.037 -0.165 0.000 0.636 728 A CB -0.308 18.518 19.000 -0.291 0.000 0.810 728 A HN 0.722 nan 8.150 nan 0.000 0.448 729 Q N 0.224 120.062 119.800 0.063 0.000 2.152 729 Q HA -0.231 4.104 4.340 -0.008 0.000 0.206 729 Q C 1.878 177.963 176.000 0.143 0.000 0.985 729 Q CA 2.263 58.120 55.803 0.089 0.000 0.863 729 Q CB -0.365 28.381 28.738 0.013 0.000 0.904 729 Q HN 0.785 nan 8.270 nan 0.000 0.422 730 E N -1.412 118.821 120.200 0.056 0.000 2.085 730 E HA -0.236 4.110 4.350 -0.008 0.000 0.194 730 E C 1.493 178.032 176.600 -0.101 0.000 0.994 730 E CA 1.428 57.786 56.400 -0.071 0.000 0.801 730 E CB -0.205 29.361 29.700 -0.224 0.000 0.743 730 E HN 0.586 nan 8.360 nan 0.000 0.453 731 Y N -1.115 119.251 120.300 0.110 0.000 2.263 731 Y HA -0.187 4.358 4.550 -0.008 0.000 0.292 731 Y C 2.185 178.076 175.900 -0.014 0.000 1.130 731 Y CA 1.442 59.587 58.100 0.075 0.000 1.179 731 Y CB -0.646 37.903 38.460 0.148 0.000 0.998 731 Y HN 0.237 nan 8.280 nan 0.000 0.532 732 Y N 1.293 121.621 120.300 0.046 0.000 2.224 732 Y HA -0.246 4.299 4.550 -0.008 0.000 0.289 732 Y C 1.730 177.596 175.900 -0.056 0.000 1.146 732 Y CA 1.793 59.847 58.100 -0.077 0.000 1.182 732 Y CB -0.356 38.116 38.460 0.021 0.000 0.983 732 Y HN 0.082 nan 8.280 nan 0.000 0.524 733 D N -0.325 120.187 120.400 0.186 0.000 2.234 733 D HA -0.060 4.575 4.640 -0.008 0.000 0.205 733 D C 1.893 178.175 176.300 -0.030 0.000 0.962 733 D CA 1.081 55.129 54.000 0.079 0.000 0.855 733 D CB -0.113 40.748 40.800 0.101 0.000 0.951 733 D HN 0.456 nan 8.370 nan 0.000 0.500 734 R N -0.264 120.212 120.500 -0.040 0.000 2.290 734 R HA 0.291 4.626 4.340 -0.008 0.000 0.197 734 R C 0.392 176.664 176.300 -0.047 0.000 0.913 734 R CA 0.160 56.231 56.100 -0.047 0.000 1.040 734 R CB 0.997 31.264 30.300 -0.056 0.000 0.992 734 R HN 0.099 nan 8.270 nan 0.000 0.500 735 I N 1.555 122.076 120.570 -0.081 0.000 2.437 735 I HA 0.221 4.386 4.170 -0.008 0.000 0.279 735 I C -2.013 174.003 176.117 -0.168 0.000 1.028 735 I CA -2.415 58.838 61.300 -0.078 0.000 1.142 735 I CB 2.036 40.015 38.000 -0.036 0.000 1.266 735 I HN -0.269 nan 8.210 nan 0.000 0.461 736 P HA -0.199 nan 4.420 nan 0.000 0.214 736 P C 1.211 178.412 177.300 -0.165 0.000 1.163 736 P CA 1.522 64.531 63.100 -0.153 0.000 0.889 736 P CB 0.286 31.930 31.700 -0.092 0.000 0.790 737 E N -1.068 119.073 120.200 -0.099 0.000 2.118 737 E HA -0.196 4.149 4.350 -0.008 0.000 0.195 737 E C 1.895 178.390 176.600 -0.176 0.000 0.992 737 E CA 0.831 57.186 56.400 -0.075 0.000 0.804 737 E CB -0.651 29.078 29.700 0.047 0.000 0.741 737 E HN 0.112 nan 8.360 nan 0.000 0.458 738 L N 1.209 122.239 121.223 -0.321 0.000 2.093 738 L HA -0.126 4.210 4.340 -0.008 0.000 0.208 738 L C 2.334 178.919 176.870 -0.475 0.000 1.085 738 L CA 1.624 56.105 54.840 -0.598 0.000 0.755 738 L CB -0.312 41.245 42.059 -0.837 0.000 0.904 738 L HN -0.087 nan 8.230 nan 0.000 0.435 739 R N -0.800 119.401 120.500 -0.499 0.000 2.081 739 R HA -0.235 4.100 4.340 -0.008 0.000 0.235 739 R C 2.385 178.495 176.300 -0.317 0.000 1.131 739 R CA 1.906 57.618 56.100 -0.646 0.000 0.960 739 R CB -0.325 29.526 30.300 -0.748 0.000 0.856 739 R HN 0.636 nan 8.270 nan 0.000 0.436 740 Q N 0.500 120.161 119.800 -0.232 0.000 2.096 740 Q HA -0.179 4.156 4.340 -0.008 0.000 0.204 740 Q C 2.032 177.967 176.000 -0.107 0.000 0.982 740 Q CA 1.904 57.619 55.803 -0.146 0.000 0.850 740 Q CB -0.110 28.548 28.738 -0.133 0.000 0.901 740 Q HN 0.475 nan 8.270 nan 0.000 0.422 741 I N 0.650 121.154 120.570 -0.111 0.000 2.179 741 I HA -0.275 3.890 4.170 -0.008 0.000 0.242 741 I C 2.127 178.255 176.117 0.017 0.000 1.088 741 I CA 0.669 61.942 61.300 -0.044 0.000 1.357 741 I CB -0.341 37.615 38.000 -0.074 0.000 1.051 741 I HN 0.310 nan 8.210 nan 0.000 0.409 742 I N 0.914 121.493 120.570 0.015 0.000 2.286 742 I HA -0.233 3.933 4.170 -0.008 0.000 0.248 742 I C 2.438 178.644 176.117 0.150 0.000 1.115 742 I CA 1.659 63.039 61.300 0.133 0.000 1.392 742 I CB -1.249 36.918 38.000 0.279 0.000 1.065 742 I HN 0.362 nan 8.210 nan 0.000 0.418 743 E N 0.371 120.636 120.200 0.109 0.000 2.106 743 E HA -0.210 4.136 4.350 -0.008 0.000 0.192 743 E C 2.137 178.793 176.600 0.094 0.000 0.984 743 E CA 0.775 57.237 56.400 0.104 0.000 0.806 743 E CB -0.117 29.619 29.700 0.059 0.000 0.750 743 E HN 0.595 nan 8.360 nan 0.000 0.458 744 Q N 0.549 120.382 119.800 0.054 0.000 2.084 744 Q HA -0.119 4.216 4.340 -0.008 0.000 0.202 744 Q C 2.361 178.506 176.000 0.241 0.000 0.978 744 Q CA 0.972 56.807 55.803 0.052 0.000 0.844 744 Q CB -0.058 28.585 28.738 -0.159 0.000 0.898 744 Q HN 0.302 nan 8.270 nan 0.000 0.426 745 L N -0.005 121.378 121.223 0.267 0.000 2.046 745 L HA -0.178 4.157 4.340 -0.008 0.000 0.208 745 L C 2.439 179.485 176.870 0.293 0.000 1.077 745 L CA 0.964 55.995 54.840 0.319 0.000 0.747 745 L CB -0.348 41.823 42.059 0.187 0.000 0.896 745 L HN 0.144 nan 8.230 nan 0.000 0.432 746 S N -0.235 115.592 115.700 0.211 0.000 2.368 746 S HA -0.148 4.317 4.470 -0.008 0.000 0.224 746 S C 2.092 176.788 174.600 0.160 0.000 1.029 746 S CA 1.491 59.796 58.200 0.175 0.000 0.988 746 S CB -0.246 63.038 63.200 0.141 0.000 0.838 746 S HN 0.596 nan 8.310 nan 0.000 0.462 747 S N 0.630 116.423 115.700 0.156 0.000 2.515 747 S HA 0.258 4.723 4.470 -0.008 0.000 0.231 747 S C 1.470 176.153 174.600 0.138 0.000 0.987 747 S CA 0.767 59.046 58.200 0.131 0.000 0.936 747 S CB -0.293 62.980 63.200 0.122 0.000 0.766 747 S HN 0.865 nan 8.310 nan 0.000 0.528 748 G N 0.517 109.431 108.800 0.190 0.000 2.130 748 G HA2 -0.281 3.674 3.960 -0.008 0.000 0.216 748 G HA3 -0.281 3.674 3.960 -0.008 0.000 0.216 748 G C 0.167 175.154 174.900 0.146 0.000 0.999 748 G CA 0.115 45.319 45.100 0.174 0.000 0.686 748 G HN 0.525 nan 8.290 nan 0.000 0.515 749 F N 0.325 120.267 119.950 -0.012 0.000 2.202 749 F HA 0.180 4.702 4.527 -0.008 0.000 0.301 749 F C 1.810 177.410 175.800 -0.333 0.000 1.082 749 F CA 1.882 59.751 58.000 -0.217 0.000 1.313 749 F CB -0.061 38.718 39.000 -0.367 0.000 1.024 749 F HN 0.172 nan 8.300 nan 0.000 0.495 750 F N -0.323 119.801 119.950 0.291 0.000 2.664 750 F HA 0.211 4.734 4.527 -0.008 0.000 0.303 750 F C 0.684 176.601 175.800 0.196 0.000 1.092 750 F CA 0.274 58.395 58.000 0.203 0.000 1.305 750 F CB -0.160 38.959 39.000 0.199 0.000 1.054 750 F HN -0.009 nan 8.300 nan 0.000 0.565 751 S N -2.157 113.693 115.700 0.251 0.000 2.605 751 S HA 0.307 4.772 4.470 -0.008 0.000 0.142 751 S C -2.428 172.192 174.600 0.034 0.000 1.452 751 S CA -0.989 57.285 58.200 0.124 0.000 1.240 751 S CB 0.770 64.006 63.200 0.059 0.000 1.538 751 S HN -0.176 nan 8.310 nan 0.000 0.394 752 P HA -0.169 nan 4.420 nan 0.000 0.215 752 P C 1.230 178.516 177.300 -0.022 0.000 1.163 752 P CA 1.564 64.638 63.100 -0.043 0.000 0.894 752 P CB 0.073 31.723 31.700 -0.083 0.000 0.791 753 K N -1.166 119.223 120.400 -0.020 0.000 2.283 753 K HA -0.061 4.254 4.320 -0.008 0.000 0.202 753 K C 0.623 177.218 176.600 -0.008 0.000 1.048 753 K CA 0.904 57.184 56.287 -0.013 0.000 0.948 753 K CB -0.088 32.406 32.500 -0.009 0.000 0.742 753 K HN 0.362 nan 8.250 nan 0.000 0.458 754 Q N -0.382 119.412 119.800 -0.010 0.000 3.064 754 Q HA 0.151 4.486 4.340 -0.008 0.000 0.258 754 Q C -2.381 173.610 176.000 -0.016 0.000 0.972 754 Q CA -1.589 54.203 55.803 -0.018 0.000 0.761 754 Q CB 1.633 30.352 28.738 -0.032 0.000 1.281 754 Q HN -0.100 nan 8.270 nan 0.000 0.455 755 P HA -0.235 nan 4.420 nan 0.000 0.217 755 P C 0.618 177.951 177.300 0.055 0.000 1.151 755 P CA 1.563 64.688 63.100 0.040 0.000 0.849 755 P CB 0.212 31.934 31.700 0.037 0.000 0.787 756 D N -1.610 118.807 120.400 0.029 0.000 2.388 756 D HA -0.002 4.634 4.640 -0.008 0.000 0.221 756 D C 1.541 177.839 176.300 -0.004 0.000 1.133 756 D CA -0.273 53.752 54.000 0.041 0.000 0.831 756 D CB -0.843 39.982 40.800 0.043 0.000 0.962 756 D HN 0.004 nan 8.370 nan 0.000 0.502 757 L N -0.063 121.093 121.223 -0.110 0.000 2.051 757 L HA -0.071 4.264 4.340 -0.008 0.000 0.214 757 L C 1.021 177.669 176.870 -0.370 0.000 1.076 757 L CA 1.712 56.367 54.840 -0.308 0.000 0.758 757 L CB -0.644 41.050 42.059 -0.609 0.000 0.890 757 L HN 0.024 nan 8.230 nan 0.000 0.433 758 F N -0.581 119.422 119.950 0.088 0.000 2.730 758 F HA 0.155 4.677 4.527 -0.007 0.000 0.295 758 F C 1.809 177.654 175.800 0.075 0.000 1.143 758 F CA -0.149 57.892 58.000 0.067 0.000 1.367 758 F CB -0.321 38.708 39.000 0.048 0.000 0.970 758 F HN 0.110 nan 8.300 nan 0.000 0.514 759 K N -0.417 120.095 120.400 0.186 0.000 2.147 759 K HA -0.158 4.158 4.320 -0.008 0.000 0.205 759 K C 0.964 177.656 176.600 0.153 0.000 1.049 759 K CA 1.806 58.184 56.287 0.153 0.000 0.936 759 K CB -0.185 32.384 32.500 0.114 0.000 0.722 759 K HN 0.084 nan 8.250 nan 0.000 0.446 760 D N 1.336 121.842 120.400 0.176 0.000 2.144 760 D HA -0.076 4.559 4.640 -0.008 0.000 0.200 760 D C 2.041 178.430 176.300 0.149 0.000 0.978 760 D CA 1.098 55.212 54.000 0.191 0.000 0.833 760 D CB -0.062 40.898 40.800 0.267 0.000 0.961 760 D HN 0.316 nan 8.370 nan 0.000 0.470 761 I N 0.479 121.138 120.570 0.148 0.000 2.202 761 I HA -0.207 3.958 4.170 -0.008 0.000 0.242 761 I C 2.455 178.587 176.117 0.025 0.000 1.091 761 I CA 0.586 61.934 61.300 0.080 0.000 1.368 761 I CB -0.213 37.838 38.000 0.085 0.000 1.058 761 I HN -0.128 nan 8.210 nan 0.000 0.410 762 V N 1.304 121.257 119.914 0.065 0.000 2.343 762 V HA -0.285 3.830 4.120 -0.008 0.000 0.247 762 V C 2.262 178.314 176.094 -0.071 0.000 1.051 762 V CA 2.252 64.569 62.300 0.028 0.000 1.036 762 V CB -0.935 30.938 31.823 0.083 0.000 0.654 762 V HN 0.482 nan 8.190 nan 0.000 0.451 763 N N -0.136 118.551 118.700 -0.022 0.000 2.166 763 N HA -0.179 4.556 4.740 -0.008 0.000 0.186 763 N C 1.788 177.141 175.510 -0.263 0.000 1.019 763 N CA 1.597 54.629 53.050 -0.030 0.000 0.856 763 N CB -0.269 38.304 38.487 0.143 0.000 0.993 763 N HN 0.342 nan 8.380 nan 0.000 0.426 764 M N 0.154 119.565 119.600 -0.314 0.000 2.099 764 M HA -0.050 4.426 4.480 -0.008 0.000 0.262 764 M C 1.751 177.745 176.300 -0.510 0.000 1.067 764 M CA 1.180 56.072 55.300 -0.680 0.000 1.124 764 M CB -0.659 31.822 32.600 -0.199 0.000 1.353 764 M HN 0.220 nan 8.290 nan 0.000 0.410 765 L N -0.035 120.979 121.223 -0.350 0.000 2.079 765 L HA -0.262 4.073 4.340 -0.008 0.000 0.210 765 L C 2.539 179.043 176.870 -0.611 0.000 1.081 765 L CA 1.030 55.588 54.840 -0.470 0.000 0.752 765 L CB -0.590 41.239 42.059 -0.384 0.000 0.896 765 L HN 0.329 nan 8.230 nan 0.000 0.433 766 M N -1.577 117.711 119.600 -0.519 0.000 2.334 766 M HA -0.057 4.418 4.480 -0.008 0.000 0.266 766 M C 1.883 177.796 176.300 -0.646 0.000 1.082 766 M CA 1.583 56.518 55.300 -0.608 0.000 1.141 766 M CB -0.742 31.380 32.600 -0.797 0.000 1.380 766 M HN 0.302 nan 8.290 nan 0.000 0.440 767 H N -1.845 117.110 119.070 -0.191 0.000 3.017 767 H HA 0.198 4.750 4.556 -0.008 0.000 0.255 767 H C 0.066 175.396 175.328 0.002 0.000 0.990 767 H CA 0.598 56.596 56.048 -0.082 0.000 1.205 767 H CB 0.160 29.929 29.762 0.011 0.000 1.460 767 H HN 0.557 nan 8.280 nan 0.000 0.478 768 H N -1.438 117.675 119.070 0.072 0.000 2.823 768 H HA 0.290 4.841 4.556 -0.008 0.000 0.222 768 H C -1.344 173.995 175.328 0.018 0.000 1.414 768 H CA -0.699 55.382 56.048 0.055 0.000 1.289 768 H CB -0.132 29.666 29.762 0.060 0.000 1.970 768 H HN -0.133 nan 8.280 nan 0.000 0.517 769 D N 1.393 121.794 120.400 0.001 0.000 2.428 769 D HA 0.163 4.798 4.640 -0.008 0.000 0.221 769 D C 0.841 177.069 176.300 -0.120 0.000 1.123 769 D CA -0.502 53.475 54.000 -0.038 0.000 0.869 769 D CB 0.742 41.496 40.800 -0.075 0.000 1.032 769 D HN 0.516 nan 8.370 nan 0.000 0.506 770 R N 2.225 122.557 120.500 -0.280 0.000 2.237 770 R HA -0.051 4.284 4.340 -0.008 0.000 0.219 770 R C 0.620 176.394 176.300 -0.876 0.000 1.080 770 R CA 0.893 56.624 56.100 -0.615 0.000 0.995 770 R CB 0.074 29.831 30.300 -0.905 0.000 0.875 770 R HN 0.406 nan 8.270 nan 0.000 0.462 771 F N 0.529 120.435 119.950 -0.072 0.000 2.639 771 F HA 0.244 4.767 4.527 -0.008 0.000 0.302 771 F C 0.111 175.784 175.800 -0.212 0.000 1.097 771 F CA -0.635 57.305 58.000 -0.100 0.000 1.294 771 F CB 0.078 39.076 39.000 -0.004 0.000 1.027 771 F HN -0.241 nan 8.300 nan 0.000 0.550 772 K N -0.382 119.812 120.400 -0.344 0.000 3.278 772 K HA -0.186 4.129 4.320 -0.008 0.000 0.270 772 K C 1.011 177.497 176.600 -0.190 0.000 0.955 772 K CA 0.189 56.117 56.287 -0.598 0.000 0.723 772 K CB -1.847 30.208 32.500 -0.742 0.000 1.382 772 K HN 0.212 nan 8.250 nan 0.000 0.461 773 V N 0.041 119.919 119.914 -0.059 0.000 2.287 773 V HA -0.292 3.823 4.120 -0.008 0.000 0.248 773 V C 1.975 178.213 176.094 0.239 0.000 1.053 773 V CA 2.306 64.650 62.300 0.074 0.000 1.027 773 V CB -0.505 31.360 31.823 0.070 0.000 0.646 773 V HN 0.513 nan 8.190 nan 0.000 0.447 774 F N 0.231 120.180 119.950 -0.002 0.000 2.171 774 F HA -0.195 4.327 4.527 -0.008 0.000 0.300 774 F C 2.540 178.134 175.800 -0.342 0.000 1.090 774 F CA 0.675 58.617 58.000 -0.097 0.000 1.293 774 F CB -0.406 38.536 39.000 -0.096 0.000 1.013 774 F HN 0.199 nan 8.300 nan 0.000 0.486 775 A N -0.520 122.140 122.820 -0.266 0.000 2.024 775 A HA -0.205 4.110 4.320 -0.008 0.000 0.220 775 A C 1.456 179.048 177.584 0.012 0.000 1.164 775 A CA 1.946 53.768 52.037 -0.360 0.000 0.643 775 A CB -0.463 18.452 19.000 -0.142 0.000 0.806 775 A HN 0.262 nan 8.150 nan 0.000 0.451 776 D N -2.966 117.494 120.400 0.101 0.000 2.398 776 D HA 0.088 4.724 4.640 -0.008 0.000 0.210 776 D C 1.144 177.612 176.300 0.279 0.000 1.094 776 D CA -0.069 54.060 54.000 0.214 0.000 0.839 776 D CB -0.100 40.833 40.800 0.223 0.000 0.963 776 D HN 0.575 nan 8.370 nan 0.000 0.506 777 Y N 2.197 122.582 120.300 0.142 0.000 2.097 777 Y HA -0.239 4.307 4.550 -0.007 0.000 0.282 777 Y C 2.124 178.110 175.900 0.143 0.000 1.152 777 Y CA 1.942 60.133 58.100 0.152 0.000 1.136 777 Y CB 0.164 38.678 38.460 0.089 0.000 0.975 777 Y HN -0.103 nan 8.280 nan 0.000 0.498 778 E N -0.315 119.983 120.200 0.164 0.000 2.038 778 E HA -0.228 4.117 4.350 -0.008 0.000 0.195 778 E C 2.113 178.696 176.600 -0.028 0.000 1.000 778 E CA 1.413 57.833 56.400 0.035 0.000 0.803 778 E CB -0.078 29.731 29.700 0.181 0.000 0.750 778 E HN 0.519 nan 8.360 nan 0.000 0.448 779 E N -0.004 120.251 120.200 0.092 0.000 2.153 779 E HA -0.188 4.157 4.350 -0.008 0.000 0.194 779 E C 1.824 178.419 176.600 -0.008 0.000 0.988 779 E CA 0.737 57.207 56.400 0.116 0.000 0.811 779 E CB -0.335 29.524 29.700 0.264 0.000 0.746 779 E HN 0.359 nan 8.360 nan 0.000 0.466 780 Y N 1.528 121.653 120.300 -0.292 0.000 2.133 780 Y HA -0.197 4.348 4.550 -0.008 0.000 0.287 780 Y C 2.282 177.777 175.900 -0.675 0.000 1.134 780 Y CA 1.024 58.624 58.100 -0.834 0.000 1.133 780 Y CB -0.502 37.541 38.460 -0.694 0.000 0.987 780 Y HN -0.206 nan 8.280 nan 0.000 0.502 781 V N 0.871 120.421 119.914 -0.608 0.000 2.332 781 V HA -0.332 3.783 4.120 -0.008 0.000 0.248 781 V C 2.305 178.151 176.094 -0.413 0.000 1.055 781 V CA 2.372 64.319 62.300 -0.588 0.000 1.038 781 V CB -0.612 30.904 31.823 -0.512 0.000 0.651 781 V HN 0.342 nan 8.190 nan 0.000 0.450 782 K N -0.941 119.288 120.400 -0.284 0.000 2.057 782 K HA -0.201 4.114 4.320 -0.008 0.000 0.207 782 K C 2.300 178.789 176.600 -0.185 0.000 1.049 782 K CA 1.683 57.868 56.287 -0.170 0.000 0.931 782 K CB -0.603 31.851 32.500 -0.077 0.000 0.714 782 K HN 0.520 nan 8.250 nan 0.000 0.440 783 C N 1.569 120.728 119.300 -0.235 0.000 2.425 783 C HA -0.097 4.358 4.460 -0.008 0.000 0.277 783 C C 2.658 177.435 174.990 -0.355 0.000 1.280 783 C CA 0.843 59.743 59.018 -0.195 0.000 1.744 783 C CB -0.655 26.979 27.740 -0.177 0.000 1.989 783 C HN 0.425 nan 8.230 nan 0.000 0.491 784 Q N 0.412 119.868 119.800 -0.573 0.000 2.170 784 Q HA -0.157 4.178 4.340 -0.008 0.000 0.203 784 Q C 2.026 177.813 176.000 -0.356 0.000 0.976 784 Q CA 1.574 57.006 55.803 -0.618 0.000 0.858 784 Q CB -0.375 27.766 28.738 -0.995 0.000 0.907 784 Q HN 0.765 nan 8.270 nan 0.000 0.433 785 E N 0.202 120.251 120.200 -0.252 0.000 2.106 785 E HA -0.130 4.216 4.350 -0.008 0.000 0.192 785 E C 2.044 178.585 176.600 -0.099 0.000 0.984 785 E CA 0.517 56.833 56.400 -0.139 0.000 0.806 785 E CB -0.050 29.591 29.700 -0.099 0.000 0.750 785 E HN 0.265 nan 8.360 nan 0.000 0.458 786 R N 0.544 120.987 120.500 -0.096 0.000 2.115 786 R HA -0.064 4.271 4.340 -0.008 0.000 0.230 786 R C 2.391 178.660 176.300 -0.051 0.000 1.111 786 R CA 0.728 56.832 56.100 0.007 0.000 0.976 786 R CB -0.206 30.165 30.300 0.119 0.000 0.870 786 R HN 0.057 nan 8.270 nan 0.000 0.445 787 V N 0.502 120.193 119.914 -0.372 0.000 2.307 787 V HA -0.222 3.894 4.120 -0.008 0.000 0.245 787 V C 2.142 178.213 176.094 -0.039 0.000 1.045 787 V CA 1.915 63.887 62.300 -0.546 0.000 1.024 787 V CB -0.309 31.089 31.823 -0.709 0.000 0.651 787 V HN 0.274 nan 8.190 nan 0.000 0.449 788 S N 0.223 115.874 115.700 -0.082 0.000 2.382 788 S HA -0.163 4.302 4.470 -0.008 0.000 0.228 788 S C 2.200 176.858 174.600 0.096 0.000 1.027 788 S CA 1.358 59.552 58.200 -0.011 0.000 0.991 788 S CB -0.471 62.688 63.200 -0.068 0.000 0.823 788 S HN 0.648 nan 8.310 nan 0.000 0.469 789 A N 1.389 124.264 122.820 0.090 0.000 1.902 789 A HA 0.010 4.325 4.320 -0.008 0.000 0.217 789 A C 2.095 179.792 177.584 0.189 0.000 1.181 789 A CA 1.070 53.181 52.037 0.124 0.000 0.623 789 A CB -0.695 18.366 19.000 0.102 0.000 0.818 789 A HN 0.462 nan 8.150 nan 0.000 0.443 790 L N -2.057 119.337 121.223 0.284 0.000 2.093 790 L HA -0.145 4.190 4.340 -0.008 0.000 0.208 790 L C 2.466 179.623 176.870 0.478 0.000 1.085 790 L CA 1.689 56.772 54.840 0.406 0.000 0.755 790 L CB -0.395 42.003 42.059 0.566 0.000 0.904 790 L HN 0.583 nan 8.230 nan 0.000 0.435 791 Y N 1.052 121.514 120.300 0.271 0.000 2.333 791 Y HA -0.262 4.285 4.550 -0.006 0.000 0.290 791 Y C 2.331 178.171 175.900 -0.099 0.000 1.144 791 Y CA 1.569 59.564 58.100 -0.175 0.000 1.228 791 Y CB -0.086 38.070 38.460 -0.507 0.000 0.985 791 Y HN 0.076 nan 8.280 nan 0.000 0.542 792 K N -0.138 120.299 120.400 0.062 0.000 2.515 792 K HA -0.104 4.212 4.320 -0.008 0.000 0.196 792 K C 0.369 176.953 176.600 -0.028 0.000 1.038 792 K CA 0.589 56.891 56.287 0.025 0.000 0.967 792 K CB -0.064 32.501 32.500 0.108 0.000 0.780 792 K HN 0.061 nan 8.250 nan 0.000 0.483 793 N N 0.529 119.227 118.700 -0.002 0.000 2.898 793 N HA 0.133 4.868 4.740 -0.008 0.000 0.245 793 N C -2.459 173.051 175.510 -0.000 0.000 1.185 793 N CA -2.074 50.982 53.050 0.011 0.000 0.879 793 N CB 1.146 39.673 38.487 0.068 0.000 1.157 793 N HN -0.196 nan 8.380 nan 0.000 0.503 794 P HA -0.236 nan 4.420 nan 0.000 0.219 794 P C 1.406 178.711 177.300 0.009 0.000 1.161 794 P CA 1.421 64.444 63.100 -0.129 0.000 0.909 794 P CB 0.323 31.926 31.700 -0.161 0.000 0.793 795 R N -0.167 120.341 120.500 0.013 0.000 2.073 795 R HA -0.166 4.169 4.340 -0.008 0.000 0.234 795 R C 1.989 178.332 176.300 0.071 0.000 1.134 795 R CA 1.505 57.627 56.100 0.036 0.000 0.952 795 R CB -0.423 29.889 30.300 0.021 0.000 0.850 795 R HN 0.104 nan 8.270 nan 0.000 0.433 796 E N -0.115 120.137 120.200 0.088 0.000 2.208 796 E HA -0.206 4.139 4.350 -0.008 0.000 0.193 796 E C 1.588 178.268 176.600 0.134 0.000 0.988 796 E CA 0.601 57.057 56.400 0.094 0.000 0.828 796 E CB -0.375 29.377 29.700 0.088 0.000 0.763 796 E HN 0.531 nan 8.360 nan 0.000 0.478 797 W N 2.159 123.459 121.300 0.001 0.000 2.379 797 W HA -0.151 4.504 4.660 -0.009 0.000 0.307 797 W C 1.566 178.094 176.519 0.015 0.000 1.200 797 W CA 1.932 59.295 57.345 0.029 0.000 1.297 797 W CB -0.426 29.032 29.460 -0.003 0.000 1.140 797 W HN 0.006 nan 8.180 nan 0.000 0.507 798 T N 1.339 116.054 114.554 0.268 0.000 2.788 798 T HA -0.170 4.176 4.350 -0.008 0.000 0.268 798 T C 1.862 176.582 174.700 0.033 0.000 1.044 798 T CA 1.708 63.891 62.100 0.139 0.000 1.139 798 T CB -0.277 68.644 68.868 0.088 0.000 0.867 798 T HN 0.172 nan 8.240 nan 0.000 0.454 799 R N 0.408 120.930 120.500 0.036 0.000 2.096 799 R HA 0.087 4.422 4.340 -0.008 0.000 0.235 799 R C 2.493 178.786 176.300 -0.012 0.000 1.127 799 R CA 1.181 57.298 56.100 0.028 0.000 0.968 799 R CB -0.335 29.987 30.300 0.035 0.000 0.861 799 R HN 0.371 nan 8.270 nan 0.000 0.440 800 M N 0.470 120.028 119.600 -0.071 0.000 2.175 800 M HA -0.135 4.340 4.480 -0.008 0.000 0.264 800 M C 1.950 178.163 176.300 -0.145 0.000 1.063 800 M CA 1.359 56.577 55.300 -0.137 0.000 1.119 800 M CB 0.174 32.626 32.600 -0.246 0.000 1.377 800 M HN -0.027 nan 8.290 nan 0.000 0.415 801 V N 0.945 120.758 119.914 -0.169 0.000 2.287 801 V HA -0.325 3.791 4.120 -0.008 0.000 0.248 801 V C 2.240 178.320 176.094 -0.023 0.000 1.053 801 V CA 2.105 64.338 62.300 -0.111 0.000 1.027 801 V CB -0.642 31.149 31.823 -0.054 0.000 0.646 801 V HN 0.516 nan 8.190 nan 0.000 0.447 802 I N -0.581 119.995 120.570 0.009 0.000 2.264 802 I HA -0.290 3.876 4.170 -0.008 0.000 0.248 802 I C 2.714 178.882 176.117 0.085 0.000 1.111 802 I CA 1.640 62.990 61.300 0.084 0.000 1.382 802 I CB -0.426 37.668 38.000 0.157 0.000 1.060 802 I HN 0.235 nan 8.210 nan 0.000 0.418 803 R N 0.349 120.876 120.500 0.046 0.000 2.148 803 R HA -0.098 4.237 4.340 -0.008 0.000 0.227 803 R C 2.000 178.334 176.300 0.056 0.000 1.103 803 R CA 1.019 57.145 56.100 0.043 0.000 0.983 803 R CB -0.327 29.982 30.300 0.015 0.000 0.874 803 R HN 0.541 nan 8.270 nan 0.000 0.451 804 N N 0.598 119.326 118.700 0.046 0.000 2.148 804 N HA -0.060 4.675 4.740 -0.008 0.000 0.186 804 N C 1.958 177.531 175.510 0.105 0.000 1.031 804 N CA 1.010 54.112 53.050 0.086 0.000 0.848 804 N CB -0.001 38.511 38.487 0.042 0.000 1.005 804 N HN 0.101 nan 8.380 nan 0.000 0.427 805 I N 1.737 122.356 120.570 0.083 0.000 2.208 805 I HA -0.258 3.907 4.170 -0.008 0.000 0.245 805 I C 2.477 178.648 176.117 0.091 0.000 1.097 805 I CA 0.970 62.324 61.300 0.090 0.000 1.363 805 I CB -0.370 37.675 38.000 0.076 0.000 1.051 805 I HN 0.100 nan 8.210 nan 0.000 0.413 806 A N 0.371 123.244 122.820 0.089 0.000 2.019 806 A HA -0.182 4.133 4.320 -0.008 0.000 0.219 806 A C 2.095 179.718 177.584 0.065 0.000 1.164 806 A CA 2.157 54.238 52.037 0.072 0.000 0.644 806 A CB -0.883 18.163 19.000 0.077 0.000 0.805 806 A HN 0.552 nan 8.150 nan 0.000 0.449 807 T N -2.961 111.644 114.554 0.086 0.000 3.174 807 T HA 0.202 4.548 4.350 -0.008 0.000 0.269 807 T C 1.069 175.855 174.700 0.142 0.000 1.017 807 T CA 0.621 62.773 62.100 0.086 0.000 0.899 807 T CB -0.191 68.727 68.868 0.083 0.000 1.077 807 T HN 0.485 nan 8.240 nan 0.000 0.552 808 S N -0.041 115.763 115.700 0.174 0.000 2.593 808 S HA 0.267 4.733 4.470 -0.008 0.000 0.217 808 S C 2.180 176.892 174.600 0.186 0.000 0.966 808 S CA 0.212 58.591 58.200 0.298 0.000 0.914 808 S CB -0.561 62.797 63.200 0.265 0.000 0.776 808 S HN 0.520 nan 8.310 nan 0.000 0.523 809 G N 2.835 111.670 108.800 0.059 0.000 2.469 809 G HA2 -0.308 3.648 3.960 -0.008 0.000 0.219 809 G HA3 -0.308 3.648 3.960 -0.008 0.000 0.219 809 G C 1.318 176.151 174.900 -0.110 0.000 1.150 809 G CA 1.079 46.181 45.100 0.003 0.000 0.763 809 G HN 0.613 nan 8.290 nan 0.000 0.561 810 K N -0.104 120.105 120.400 -0.320 0.000 2.281 810 K HA -0.041 4.274 4.320 -0.008 0.000 0.203 810 K C 1.227 177.471 176.600 -0.593 0.000 1.046 810 K CA 0.750 56.716 56.287 -0.534 0.000 0.938 810 K CB -0.284 31.731 32.500 -0.808 0.000 0.737 810 K HN 0.414 nan 8.250 nan 0.000 0.458 811 F N 0.965 120.943 119.950 0.047 0.000 2.676 811 F HA 0.119 4.641 4.527 -0.008 0.000 0.300 811 F C 0.763 176.607 175.800 0.073 0.000 1.160 811 F CA -0.592 57.442 58.000 0.058 0.000 1.401 811 F CB 0.378 39.410 39.000 0.053 0.000 1.037 811 F HN -0.107 nan 8.300 nan 0.000 0.522 812 S N 0.200 115.974 115.700 0.123 0.000 2.545 812 S HA 0.108 4.574 4.470 -0.008 0.000 0.275 812 S C 1.391 176.067 174.600 0.127 0.000 1.299 812 S CA -0.305 57.969 58.200 0.124 0.000 1.048 812 S CB 0.949 64.192 63.200 0.071 0.000 0.938 812 S HN 0.323 nan 8.310 nan 0.000 0.496 813 S N 3.182 118.982 115.700 0.165 0.000 2.507 813 S HA -0.075 4.390 4.470 -0.008 0.000 0.235 813 S C 0.904 175.545 174.600 0.069 0.000 0.988 813 S CA 0.683 58.995 58.200 0.186 0.000 0.944 813 S CB -0.341 63.041 63.200 0.304 0.000 0.762 813 S HN 0.790 nan 8.310 nan 0.000 0.526 814 D N 1.833 122.263 120.400 0.049 0.000 2.144 814 D HA -0.063 4.572 4.640 -0.008 0.000 0.200 814 D C 2.122 178.419 176.300 -0.004 0.000 0.978 814 D CA 0.717 54.725 54.000 0.013 0.000 0.833 814 D CB -0.304 40.503 40.800 0.012 0.000 0.961 814 D HN 0.289 nan 8.370 nan 0.000 0.470 815 R N 0.914 121.414 120.500 0.001 0.000 2.066 815 R HA -0.080 4.255 4.340 -0.008 0.000 0.232 815 R C 1.876 178.163 176.300 -0.022 0.000 1.131 815 R CA 1.357 57.444 56.100 -0.021 0.000 0.955 815 R CB -0.804 29.472 30.300 -0.040 0.000 0.851 815 R HN 0.104 nan 8.270 nan 0.000 0.432 816 T N 2.325 116.887 114.554 0.013 0.000 2.652 816 T HA -0.131 4.214 4.350 -0.008 0.000 0.267 816 T C 1.940 176.635 174.700 -0.008 0.000 1.039 816 T CA 1.446 63.571 62.100 0.042 0.000 1.153 816 T CB -0.147 68.814 68.868 0.155 0.000 0.863 816 T HN 0.105 nan 8.240 nan 0.000 0.428 817 I N 1.682 122.165 120.570 -0.144 0.000 2.286 817 I HA -0.105 4.060 4.170 -0.008 0.000 0.248 817 I C 2.910 178.974 176.117 -0.089 0.000 1.115 817 I CA 1.000 62.178 61.300 -0.203 0.000 1.392 817 I CB -1.613 36.270 38.000 -0.194 0.000 1.065 817 I HN 0.203 nan 8.210 nan 0.000 0.418 818 A N 0.146 122.935 122.820 -0.052 0.000 1.933 818 A HA -0.227 4.088 4.320 -0.008 0.000 0.218 818 A C 2.241 179.779 177.584 -0.076 0.000 1.175 818 A CA 1.362 53.377 52.037 -0.036 0.000 0.628 818 A CB -0.513 18.473 19.000 -0.025 0.000 0.814 818 A HN 0.518 nan 8.150 nan 0.000 0.444 819 Q N -1.915 117.823 119.800 -0.105 0.000 2.083 819 Q HA -0.147 4.189 4.340 -0.008 0.000 0.198 819 Q C 1.903 177.737 176.000 -0.277 0.000 0.969 819 Q CA 1.527 57.231 55.803 -0.166 0.000 0.838 819 Q CB -0.288 28.343 28.738 -0.178 0.000 0.900 819 Q HN 0.820 nan 8.270 nan 0.000 0.436 820 Y N 0.659 120.668 120.300 -0.484 0.000 2.181 820 Y HA -0.268 4.277 4.550 -0.008 0.000 0.288 820 Y C 2.477 177.794 175.900 -0.972 0.000 1.146 820 Y CA 1.260 58.823 58.100 -0.894 0.000 1.164 820 Y CB -0.375 37.261 38.460 -1.375 0.000 0.982 820 Y HN 0.153 nan 8.280 nan 0.000 0.515 821 A N 0.308 122.886 122.820 -0.403 0.000 1.883 821 A HA -0.220 4.095 4.320 -0.008 0.000 0.217 821 A C 2.254 179.846 177.584 0.012 0.000 1.186 821 A CA 2.002 54.046 52.037 0.012 0.000 0.624 821 A CB -0.533 18.554 19.000 0.145 0.000 0.822 821 A HN 0.412 nan 8.150 nan 0.000 0.444 822 R N -0.617 119.853 120.500 -0.050 0.000 2.075 822 R HA -0.034 4.301 4.340 -0.008 0.000 0.226 822 R C 1.808 178.083 176.300 -0.042 0.000 1.114 822 R CA 1.450 57.534 56.100 -0.026 0.000 0.972 822 R CB -0.204 30.077 30.300 -0.032 0.000 0.869 822 R HN 0.677 nan 8.270 nan 0.000 0.437 823 E N -0.372 119.764 120.200 -0.108 0.000 2.400 823 E HA 0.083 4.429 4.350 -0.008 0.000 0.195 823 E C 1.485 178.036 176.600 -0.083 0.000 1.012 823 E CA 0.467 56.809 56.400 -0.097 0.000 0.875 823 E CB 0.503 30.119 29.700 -0.139 0.000 0.859 823 E HN 0.314 nan 8.360 nan 0.000 0.498 824 I N -1.044 119.441 120.570 -0.142 0.000 3.739 824 I HA 0.022 4.188 4.170 -0.008 0.000 0.272 824 I C 1.319 177.574 176.117 0.229 0.000 1.167 824 I CA -0.058 61.216 61.300 -0.044 0.000 1.386 824 I CB 0.250 38.084 38.000 -0.276 0.000 1.490 824 I HN 0.114 nan 8.210 nan 0.000 0.452 825 W N 1.556 122.953 121.300 0.162 0.000 2.658 825 W HA 0.322 4.978 4.660 -0.008 0.000 0.263 825 W C 1.459 178.019 176.519 0.069 0.000 1.274 825 W CA 0.796 58.218 57.345 0.129 0.000 1.343 825 W CB -1.096 28.428 29.460 0.107 0.000 1.106 825 W HN 0.315 nan 8.180 nan 0.000 0.615 826 G N 1.225 110.167 108.800 0.237 0.000 2.256 826 G HA2 -0.087 3.869 3.960 -0.008 0.000 0.272 826 G HA3 -0.087 3.869 3.960 -0.008 0.000 0.272 826 G C -0.353 174.623 174.900 0.126 0.000 1.076 826 G CA 0.219 45.401 45.100 0.136 0.000 0.882 826 G HN 0.448 nan 8.290 nan 0.000 0.497 827 V N -4.376 115.629 119.914 0.152 0.000 3.007 827 V HA 0.910 5.025 4.120 -0.008 0.000 0.311 827 V C -0.434 175.719 176.094 0.099 0.000 1.120 827 V CA -1.670 60.701 62.300 0.118 0.000 0.980 827 V CB 2.351 34.255 31.823 0.135 0.000 1.033 827 V HN 0.138 nan 8.190 nan 0.000 0.429 828 E N 3.817 124.058 120.200 0.070 0.000 2.174 828 E HA 0.513 4.859 4.350 -0.008 0.000 0.282 828 E C -2.501 174.135 176.600 0.060 0.000 0.992 828 E CA -1.737 54.697 56.400 0.056 0.000 0.803 828 E CB 1.909 31.634 29.700 0.041 0.000 1.090 828 E HN 0.774 nan 8.360 nan 0.000 0.396 829 P HA 0.085 nan 4.420 nan 0.000 0.272 829 P C -0.497 176.832 177.300 0.048 0.000 1.223 829 P CA -0.300 62.833 63.100 0.056 0.000 0.784 829 P CB 1.023 32.751 31.700 0.047 0.000 0.923 830 S N 1.057 116.788 115.700 0.051 0.000 2.571 830 S HA 0.343 4.809 4.470 -0.008 0.000 0.284 830 S C 0.514 175.141 174.600 0.044 0.000 1.128 830 S CA -0.755 57.474 58.200 0.048 0.000 0.970 830 S CB 1.028 64.264 63.200 0.060 0.000 1.039 830 S HN 0.289 nan 8.310 nan 0.000 0.485 831 R N 2.254 122.776 120.500 0.036 0.000 2.362 831 R HA 0.200 4.535 4.340 -0.008 0.000 0.227 831 R C -0.039 176.276 176.300 0.024 0.000 0.905 831 R CA 0.032 56.152 56.100 0.033 0.000 1.067 831 R CB 0.140 30.458 30.300 0.031 0.000 1.078 831 R HN 0.693 nan 8.270 nan 0.000 0.516 832 Q N 1.311 121.126 119.800 0.024 0.000 2.289 832 Q HA 0.031 4.367 4.340 -0.008 0.000 0.273 832 Q C -0.057 175.941 176.000 -0.003 0.000 1.029 832 Q CA 0.314 56.124 55.803 0.012 0.000 0.896 832 Q CB 0.802 29.550 28.738 0.018 0.000 1.182 832 Q HN -0.218 nan 8.270 nan 0.000 0.385 833 R N 1.534 122.024 120.500 -0.017 0.000 2.774 833 R HA 0.292 4.628 4.340 -0.008 0.000 0.269 833 R C -0.212 176.055 176.300 -0.055 0.000 1.068 833 R CA 0.053 56.132 56.100 -0.036 0.000 1.180 833 R CB 0.382 30.657 30.300 -0.041 0.000 1.077 833 R HN 0.544 nan 8.270 nan 0.000 0.513 834 L N 2.548 123.727 121.223 -0.073 0.000 2.365 834 L HA 0.368 4.704 4.340 -0.008 0.000 0.267 834 L C -1.328 175.493 176.870 -0.081 0.000 1.033 834 L CA -2.208 52.567 54.840 -0.108 0.000 0.802 834 L CB 1.478 43.453 42.059 -0.141 0.000 1.267 834 L HN 0.528 nan 8.230 nan 0.000 0.457 835 P HA -0.117 nan 4.420 nan 0.000 0.212 835 P C -0.386 176.892 177.300 -0.035 0.000 1.178 835 P CA 1.503 64.570 63.100 -0.054 0.000 0.915 835 P CB 0.158 31.825 31.700 -0.055 0.000 0.788 836 A N 0.000 122.802 122.820 -0.029 0.000 2.254 836 A HA 0.000 4.315 4.320 -0.008 0.000 0.244 836 A CA 0.000 52.030 52.037 -0.011 0.000 0.836 836 A CB 0.000 18.994 19.000 -0.009 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486