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 2ff5_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 CAYTNHTVLP EALERWPVHL LETLLPRHLQ IIYEINQRFL DATA SEQUENCE NRVAAAFPGD VDRLRRMSLV EEGAVKRINM AHLCIAGSHA VNGVARIHSE DATA SEQUENCE ILKKTIFKDF YELEPHKFQN KTNGITPRRW LVLCNPGLAE IIAERIGEEY DATA SEQUENCE ISDLDQLRKL LSYVDDEAFI RDVAKVKQEN KLKFAAYLER EYKVHINPNS DATA SEQUENCE LFDVQVKRIH EYKRQLLNCL HVITLYNRIK KEPNKFVVPR TVMIGGKAAP DATA SEQUENCE GYHMAKMIIK LITAIGDVVN HDPVVGDRLR VIFLENYRVS LAEKVIPAAD DATA SEQUENCE LSEQISTAGT EASGTGNMKF MLNGALTIGT MDGANVEMAE EAGEENFFIF DATA SEQUENCE GMRVEDVDRL DQRGYNAQEY YDRIPELRQI IEQLSSGFFS PKQPDLFKDI DATA SEQUENCE VNMLMHHDRF KVFADYEEYV KCQERVSALY KNPREWTRMV IRNIATSGKF DATA SEQUENCE SSDRTIAQYA REIWGVEPSR QRLPA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 12 Q HA 0.000 nan 4.340 nan 0.000 0.214 12 Q C 0.000 175.984 176.000 -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 28.708 28.738 -0.050 0.000 1.108 13 I N -0.491 120.069 120.570 -0.016 0.000 2.577 13 I HA 0.773 4.938 4.170 -0.009 0.000 0.305 13 I C 1.471 177.590 176.117 0.002 0.000 0.986 13 I CA -0.058 61.240 61.300 -0.003 0.000 1.189 13 I CB 2.195 40.199 38.000 0.006 0.000 1.355 13 I HN 0.864 nan 8.210 nan 0.000 0.476 14 S N 3.570 119.276 115.700 0.010 0.000 2.359 14 S HA -0.212 4.253 4.470 -0.009 0.000 0.223 14 S C 1.802 176.413 174.600 0.019 0.000 1.039 14 S CA 1.536 59.744 58.200 0.014 0.000 1.042 14 S CB -1.374 61.840 63.200 0.022 0.000 0.915 14 S HN 0.907 nan 8.310 nan 0.000 0.439 15 V N -0.013 119.921 119.914 0.033 0.000 2.982 15 V HA 0.033 4.148 4.120 -0.009 0.000 0.265 15 V C 2.075 178.185 176.094 0.027 0.000 1.122 15 V CA 1.611 63.934 62.300 0.039 0.000 1.143 15 V CB -1.196 30.660 31.823 0.054 0.000 0.726 15 V HN 0.426 nan 8.190 nan 0.000 0.507 16 R N 1.197 121.704 120.500 0.012 0.000 2.320 16 R HA 0.428 4.763 4.340 -0.009 0.000 0.211 16 R C 1.138 177.429 176.300 -0.015 0.000 0.931 16 R CA 0.550 56.649 56.100 -0.001 0.000 1.071 16 R CB -0.041 30.255 30.300 -0.007 0.000 1.025 16 R HN 0.785 nan 8.270 nan 0.000 0.495 17 G N 0.697 109.488 108.800 -0.015 0.000 2.757 17 G HA2 -0.219 3.736 3.960 -0.009 0.000 0.638 17 G HA3 -0.219 3.736 3.960 -0.009 0.000 0.638 17 G C -0.859 174.025 174.900 -0.027 0.000 1.344 17 G CA -1.059 44.023 45.100 -0.029 0.000 0.855 17 G HN -0.014 nan 8.290 nan 0.000 0.537 18 L N 0.215 121.419 121.223 -0.031 0.000 2.357 18 L HA 0.693 5.028 4.340 -0.009 0.000 0.273 18 L C 1.218 178.073 176.870 -0.025 0.000 1.080 18 L CA 0.262 55.088 54.840 -0.025 0.000 0.803 18 L CB 1.102 43.147 42.059 -0.022 0.000 1.174 18 L HN 1.542 nan 8.230 nan 0.000 0.443 19 A N 2.030 124.838 122.820 -0.019 0.000 3.232 19 A HA 0.552 4.867 4.320 -0.009 0.000 0.312 19 A C 0.797 178.376 177.584 -0.008 0.000 1.185 19 A CA -0.328 51.700 52.037 -0.016 0.000 1.011 19 A CB -0.504 18.487 19.000 -0.016 0.000 1.096 19 A HN 0.810 nan 8.150 nan 0.000 0.543 20 G N -0.563 108.232 108.800 -0.008 0.000 2.474 20 G HA2 0.259 4.214 3.960 -0.009 0.000 0.233 20 G HA3 0.259 4.214 3.960 -0.009 0.000 0.233 20 G C 1.051 175.955 174.900 0.006 0.000 1.278 20 G CA 0.222 45.321 45.100 -0.002 0.000 0.861 20 G HN 0.582 nan 8.290 nan 0.000 0.567 21 V N 1.377 121.296 119.914 0.008 0.000 2.427 21 V HA -0.093 4.022 4.120 -0.009 0.000 0.248 21 V C 2.674 178.778 176.094 0.017 0.000 1.051 21 V CA 2.566 64.873 62.300 0.012 0.000 1.048 21 V CB -0.290 31.539 31.823 0.011 0.000 0.666 21 V HN 0.866 nan 8.190 nan 0.000 0.456 22 E N 0.169 120.380 120.200 0.018 0.000 2.072 22 E HA -0.170 4.175 4.350 -0.009 0.000 0.191 22 E C 2.009 178.630 176.600 0.035 0.000 0.985 22 E CA 1.810 58.224 56.400 0.024 0.000 0.801 22 E CB -0.221 29.492 29.700 0.022 0.000 0.750 22 E HN 0.728 nan 8.360 nan 0.000 0.452 23 N N -0.920 117.798 118.700 0.031 0.000 2.142 23 N HA -0.124 4.611 4.740 -0.009 0.000 0.186 23 N C 1.629 177.165 175.510 0.044 0.000 1.023 23 N CA 0.933 54.008 53.050 0.042 0.000 0.852 23 N CB 0.190 38.687 38.487 0.016 0.000 0.998 23 N HN -0.044 nan 8.380 nan 0.000 0.424 24 V N 0.684 120.615 119.914 0.028 0.000 2.343 24 V HA -0.220 3.895 4.120 -0.009 0.000 0.247 24 V C 2.077 178.194 176.094 0.038 0.000 1.051 24 V CA 1.718 64.035 62.300 0.028 0.000 1.036 24 V CB -0.724 31.110 31.823 0.019 0.000 0.654 24 V HN 0.408 nan 8.190 nan 0.000 0.451 25 T N -0.633 113.943 114.554 0.037 0.000 2.777 25 T HA -0.203 4.142 4.350 -0.009 0.000 0.266 25 T C 1.919 176.654 174.700 0.059 0.000 1.040 25 T CA 1.712 63.835 62.100 0.040 0.000 1.141 25 T CB -0.170 68.717 68.868 0.032 0.000 0.868 25 T HN 0.477 nan 8.240 nan 0.000 0.444 26 E N 1.143 121.386 120.200 0.070 0.000 2.051 26 E HA -0.031 4.314 4.350 -0.009 0.000 0.192 26 E C 2.060 178.739 176.600 0.131 0.000 0.991 26 E CA 0.985 57.440 56.400 0.092 0.000 0.799 26 E CB -0.568 29.195 29.700 0.104 0.000 0.748 26 E HN 0.430 nan 8.360 nan 0.000 0.449 27 L N 0.213 121.523 121.223 0.145 0.000 2.012 27 L HA -0.229 4.106 4.340 -0.009 0.000 0.210 27 L C 2.508 179.491 176.870 0.188 0.000 1.073 27 L CA 1.716 56.668 54.840 0.186 0.000 0.748 27 L CB -0.418 41.721 42.059 0.133 0.000 0.891 27 L HN 0.108 nan 8.230 nan 0.000 0.431 28 K N 0.465 120.935 120.400 0.117 0.000 2.063 28 K HA -0.216 4.099 4.320 -0.009 0.000 0.208 28 K C 2.111 178.817 176.600 0.177 0.000 1.048 28 K CA 1.888 58.239 56.287 0.106 0.000 0.928 28 K CB -0.122 32.399 32.500 0.035 0.000 0.713 28 K HN 0.420 nan 8.250 nan 0.000 0.442 29 K N 0.265 120.745 120.400 0.134 0.000 2.097 29 K HA -0.051 4.264 4.320 -0.009 0.000 0.205 29 K C 1.613 178.297 176.600 0.140 0.000 1.050 29 K CA 1.299 57.658 56.287 0.120 0.000 0.938 29 K CB -0.152 32.393 32.500 0.076 0.000 0.718 29 K HN 0.021 nan 8.250 nan 0.000 0.442 30 N N 0.456 119.251 118.700 0.158 0.000 2.331 30 N HA -0.100 4.634 4.740 -0.009 0.000 0.180 30 N C 1.568 177.220 175.510 0.238 0.000 1.019 30 N CA 0.869 54.003 53.050 0.139 0.000 0.881 30 N CB -0.205 38.374 38.487 0.154 0.000 0.972 30 N HN 0.206 nan 8.380 nan 0.000 0.435 31 F N 2.574 122.620 119.950 0.159 0.000 2.102 31 F HA -0.064 4.458 4.527 -0.008 0.000 0.298 31 F C 2.009 177.911 175.800 0.171 0.000 1.105 31 F CA 1.254 59.366 58.000 0.187 0.000 1.239 31 F CB -0.193 38.890 39.000 0.138 0.000 0.991 31 F HN -0.040 nan 8.300 nan 0.000 0.474 32 N N 0.500 119.403 118.700 0.340 0.000 2.244 32 N HA -0.184 4.551 4.740 -0.009 0.000 0.183 32 N C 2.035 177.602 175.510 0.094 0.000 1.016 32 N CA 1.115 54.283 53.050 0.198 0.000 0.866 32 N CB -0.502 38.093 38.487 0.180 0.000 0.980 32 N HN 0.386 nan 8.380 nan 0.000 0.430 33 R N 0.322 120.882 120.500 0.100 0.000 2.073 33 R HA -0.091 4.244 4.340 -0.009 0.000 0.234 33 R C 1.816 178.179 176.300 0.105 0.000 1.134 33 R CA 1.422 57.606 56.100 0.140 0.000 0.952 33 R CB -0.194 30.137 30.300 0.052 0.000 0.850 33 R HN 0.361 nan 8.270 nan 0.000 0.433 34 H N -0.365 118.733 119.070 0.047 0.000 2.357 34 H HA -0.122 4.429 4.556 -0.009 0.000 0.301 34 H C 1.904 177.153 175.328 -0.131 0.000 1.082 34 H CA 1.463 57.476 56.048 -0.059 0.000 1.342 34 H CB 0.056 29.750 29.762 -0.112 0.000 1.389 34 H HN 0.127 nan 8.280 nan 0.000 0.511 35 L N 0.086 121.269 121.223 -0.068 0.000 2.079 35 L HA -0.209 4.126 4.340 -0.009 0.000 0.210 35 L C 2.167 178.998 176.870 -0.064 0.000 1.081 35 L CA 1.897 56.664 54.840 -0.121 0.000 0.752 35 L CB -0.471 41.509 42.059 -0.132 0.000 0.896 35 L HN 0.308 nan 8.230 nan 0.000 0.433 36 H N -1.718 117.254 119.070 -0.164 0.000 2.276 36 H HA -0.049 4.502 4.556 -0.009 0.000 0.307 36 H C 1.790 176.910 175.328 -0.347 0.000 1.061 36 H CA 2.227 58.090 56.048 -0.309 0.000 1.336 36 H CB -0.303 29.166 29.762 -0.487 0.000 1.396 36 H HN 0.284 nan 8.280 nan 0.000 0.503 37 F N -0.315 119.600 119.950 -0.058 0.000 2.234 37 F HA -0.023 4.499 4.527 -0.009 0.000 0.296 37 F C 2.591 178.307 175.800 -0.142 0.000 1.089 37 F CA 1.402 59.324 58.000 -0.131 0.000 1.343 37 F CB -0.458 38.508 39.000 -0.057 0.000 1.040 37 F HN 0.185 nan 8.300 nan 0.000 0.498 38 T N -0.084 114.498 114.554 0.046 0.000 2.901 38 T HA 0.061 4.406 4.350 -0.009 0.000 0.252 38 T C 1.982 176.586 174.700 -0.160 0.000 1.035 38 T CA 0.844 62.897 62.100 -0.078 0.000 1.142 38 T CB -0.305 68.480 68.868 -0.140 0.000 0.869 38 T HN 0.107 nan 8.240 nan 0.000 0.442 39 L N 1.210 122.337 121.223 -0.160 0.000 2.509 39 L HA 0.201 4.536 4.340 -0.009 0.000 0.222 39 L C 0.317 177.090 176.870 -0.163 0.000 1.123 39 L CA -0.096 54.641 54.840 -0.172 0.000 0.856 39 L CB -0.090 41.874 42.059 -0.158 0.000 0.985 39 L HN -0.020 nan 8.230 nan 0.000 0.456 40 V N 1.000 120.802 119.914 -0.186 0.000 6.016 40 V HA -0.292 3.823 4.120 -0.009 0.000 0.265 40 V C -0.045 175.938 176.094 -0.185 0.000 0.621 40 V CA 1.176 63.340 62.300 -0.227 0.000 0.592 40 V CB -2.160 29.557 31.823 -0.175 0.000 0.298 40 V HN 0.479 nan 8.190 nan 0.000 0.615 41 K N 0.701 120.999 120.400 -0.171 0.000 2.533 41 K HA 0.693 5.008 4.320 -0.009 0.000 0.272 41 K C -0.712 175.854 176.600 -0.057 0.000 0.985 41 K CA -0.563 55.656 56.287 -0.113 0.000 0.876 41 K CB 2.804 35.232 32.500 -0.120 0.000 1.452 41 K HN 0.490 nan 8.250 nan 0.000 0.439 42 D N -0.882 119.504 120.400 -0.023 0.000 2.450 42 D HA 0.311 4.945 4.640 -0.009 0.000 0.238 42 D C 0.672 176.998 176.300 0.043 0.000 1.020 42 D CA -0.767 53.251 54.000 0.030 0.000 1.010 42 D CB 1.049 41.867 40.800 0.031 0.000 1.342 42 D HN 0.128 nan 8.370 nan 0.000 0.530 43 R N 0.125 120.682 120.500 0.095 0.000 2.249 43 R HA -0.058 4.277 4.340 -0.009 0.000 0.230 43 R C 0.705 177.074 176.300 0.114 0.000 1.121 43 R CA 0.644 56.838 56.100 0.157 0.000 0.997 43 R CB -0.552 29.843 30.300 0.160 0.000 0.867 43 R HN 0.537 nan 8.270 nan 0.000 0.465 44 N N 0.175 118.911 118.700 0.061 0.000 2.416 44 N HA -0.074 4.661 4.740 -0.009 0.000 0.177 44 N C 1.501 177.026 175.510 0.025 0.000 1.036 44 N CA 1.192 54.268 53.050 0.043 0.000 0.901 44 N CB 0.479 38.982 38.487 0.027 0.000 0.976 44 N HN 0.197 nan 8.380 nan 0.000 0.444 45 V N -3.261 116.654 119.914 0.002 0.000 3.432 45 V HA 0.523 4.637 4.120 -0.009 0.000 0.298 45 V C 0.694 176.748 176.094 -0.066 0.000 1.464 45 V CA -0.566 61.721 62.300 -0.022 0.000 1.046 45 V CB -0.161 31.646 31.823 -0.028 0.000 0.887 45 V HN 0.010 nan 8.190 nan 0.000 0.441 46 A N 2.222 124.976 122.820 -0.110 0.000 2.440 46 A HA 0.603 4.918 4.320 -0.009 0.000 0.251 46 A C 0.731 178.122 177.584 -0.322 0.000 1.089 46 A CA 0.801 52.656 52.037 -0.304 0.000 0.779 46 A CB -0.063 18.614 19.000 -0.539 0.000 1.022 46 A HN 0.837 nan 8.150 nan 0.000 0.492 47 T N 0.151 114.528 114.554 -0.295 0.000 2.937 47 T HA 0.577 4.922 4.350 -0.009 0.000 0.283 47 T C -2.130 172.497 174.700 -0.123 0.000 1.012 47 T CA -1.759 60.263 62.100 -0.130 0.000 0.997 47 T CB 1.195 70.035 68.868 -0.046 0.000 1.136 47 T HN 0.233 nan 8.240 nan 0.000 0.551 48 P HA -0.080 nan 4.420 nan 0.000 0.216 48 P C 1.630 179.052 177.300 0.204 0.000 1.150 48 P CA 0.956 64.203 63.100 0.246 0.000 0.843 48 P CB 0.045 31.849 31.700 0.174 0.000 0.787 49 R N 0.012 120.578 120.500 0.110 0.000 2.081 49 R HA -0.145 4.190 4.340 -0.009 0.000 0.235 49 R C 1.672 178.154 176.300 0.304 0.000 1.131 49 R CA 1.799 58.008 56.100 0.181 0.000 0.960 49 R CB -0.708 29.625 30.300 0.056 0.000 0.856 49 R HN 0.096 nan 8.270 nan 0.000 0.436 50 D N -0.355 120.098 120.400 0.089 0.000 2.117 50 D HA -0.190 4.445 4.640 -0.009 0.000 0.197 50 D C 1.711 178.034 176.300 0.038 0.000 0.987 50 D CA 1.317 55.318 54.000 0.001 0.000 0.829 50 D CB -0.276 40.375 40.800 -0.248 0.000 0.961 50 D HN 0.311 nan 8.370 nan 0.000 0.460 51 Y N 0.032 120.443 120.300 0.185 0.000 2.242 51 Y HA -0.197 4.349 4.550 -0.008 0.000 0.291 51 Y C 2.308 178.359 175.900 0.251 0.000 1.137 51 Y CA 0.317 58.573 58.100 0.260 0.000 1.181 51 Y CB -1.092 37.573 38.460 0.343 0.000 0.989 51 Y HN 0.082 nan 8.280 nan 0.000 0.527 52 Y N -0.440 120.016 120.300 0.259 0.000 2.128 52 Y HA -0.284 4.261 4.550 -0.009 0.000 0.284 52 Y C 1.962 177.844 175.900 -0.030 0.000 1.154 52 Y CA 1.283 59.430 58.100 0.079 0.000 1.149 52 Y CB -1.168 37.237 38.460 -0.092 0.000 0.976 52 Y HN 0.045 nan 8.280 nan 0.000 0.505 53 F N 0.292 120.017 119.950 -0.375 0.000 2.171 53 F HA -0.141 4.381 4.527 -0.008 0.000 0.300 53 F C 2.660 178.305 175.800 -0.259 0.000 1.090 53 F CA 1.379 59.108 58.000 -0.452 0.000 1.293 53 F CB -0.892 38.020 39.000 -0.147 0.000 1.013 53 F HN 0.205 nan 8.300 nan 0.000 0.486 54 A N -0.125 122.653 122.820 -0.069 0.000 1.902 54 A HA -0.193 4.122 4.320 -0.009 0.000 0.217 54 A C 2.075 179.571 177.584 -0.148 0.000 1.181 54 A CA 1.680 53.553 52.037 -0.274 0.000 0.623 54 A CB -1.034 17.444 19.000 -0.871 0.000 0.818 54 A HN 0.348 nan 8.150 nan 0.000 0.443 55 L N -0.281 120.980 121.223 0.062 0.000 2.027 55 L HA -0.004 4.331 4.340 -0.009 0.000 0.206 55 L C 2.681 179.552 176.870 0.001 0.000 1.074 55 L CA 2.183 57.171 54.840 0.247 0.000 0.745 55 L CB -0.978 41.281 42.059 0.333 0.000 0.898 55 L HN 0.342 nan 8.230 nan 0.000 0.433 56 A N -1.148 121.487 122.820 -0.309 0.000 1.883 56 A HA -0.300 4.015 4.320 -0.009 0.000 0.217 56 A C 2.158 179.392 177.584 -0.583 0.000 1.186 56 A CA 2.125 53.848 52.037 -0.522 0.000 0.624 56 A CB -1.149 17.191 19.000 -1.100 0.000 0.822 56 A HN 0.687 nan 8.150 nan 0.000 0.444 57 H N -0.941 117.817 119.070 -0.520 0.000 2.389 57 H HA -0.049 4.502 4.556 -0.008 0.000 0.299 57 H C 2.326 177.399 175.328 -0.426 0.000 1.081 57 H CA 1.926 57.592 56.048 -0.636 0.000 1.345 57 H CB -0.139 28.964 29.762 -1.098 0.000 1.393 57 H HN 0.468 nan 8.280 nan 0.000 0.520 58 T N -0.415 114.110 114.554 -0.048 0.000 2.777 58 T HA -0.119 4.225 4.350 -0.009 0.000 0.266 58 T C 2.250 177.119 174.700 0.282 0.000 1.040 58 T CA 1.258 63.508 62.100 0.249 0.000 1.141 58 T CB -0.337 68.743 68.868 0.353 0.000 0.868 58 T HN 0.094 nan 8.240 nan 0.000 0.444 59 V N 1.580 121.634 119.914 0.234 0.000 2.358 59 V HA -0.121 3.994 4.120 -0.009 0.000 0.246 59 V C 2.610 178.890 176.094 0.310 0.000 1.047 59 V CA 1.616 64.103 62.300 0.311 0.000 1.035 59 V CB -0.614 31.386 31.823 0.295 0.000 0.658 59 V HN 0.376 nan 8.190 nan 0.000 0.452 60 R N 0.268 120.888 120.500 0.199 0.000 2.105 60 R HA -0.223 4.112 4.340 -0.009 0.000 0.239 60 R C 1.950 178.348 176.300 0.163 0.000 1.135 60 R CA 2.127 58.339 56.100 0.187 0.000 0.967 60 R CB -0.439 29.815 30.300 -0.078 0.000 0.861 60 R HN 0.464 nan 8.270 nan 0.000 0.442 61 D N -0.041 120.435 120.400 0.127 0.000 2.158 61 D HA -0.182 4.453 4.640 -0.009 0.000 0.197 61 D C 1.696 177.998 176.300 0.004 0.000 0.995 61 D CA 1.170 55.211 54.000 0.070 0.000 0.846 61 D CB -0.393 40.431 40.800 0.041 0.000 0.941 61 D HN 0.461 nan 8.370 nan 0.000 0.456 62 H N -0.319 118.819 119.070 0.114 0.000 2.521 62 H HA 0.040 4.591 4.556 -0.008 0.000 0.286 62 H C 2.215 177.588 175.328 0.075 0.000 1.034 62 H CA 0.387 56.486 56.048 0.084 0.000 1.278 62 H CB 0.307 30.110 29.762 0.069 0.000 1.386 62 H HN 0.216 nan 8.280 nan 0.000 0.567 63 L N -0.417 120.917 121.223 0.185 0.000 2.127 63 L HA -0.097 4.238 4.340 -0.009 0.000 0.203 63 L C 2.555 179.538 176.870 0.189 0.000 1.080 63 L CA 0.244 55.160 54.840 0.128 0.000 0.768 63 L CB -0.176 41.924 42.059 0.069 0.000 0.924 63 L HN -0.001 nan 8.230 nan 0.000 0.444 64 V N 0.633 120.688 119.914 0.235 0.000 2.233 64 V HA -0.362 3.753 4.120 -0.009 0.000 0.252 64 V C 2.608 178.827 176.094 0.208 0.000 1.063 64 V CA 2.357 64.829 62.300 0.285 0.000 1.032 64 V CB -1.592 30.345 31.823 0.190 0.000 0.645 64 V HN 0.619 nan 8.190 nan 0.000 0.446 65 G N -0.460 108.415 108.800 0.124 0.000 2.446 65 G HA2 -0.270 3.685 3.960 -0.009 0.000 0.217 65 G HA3 -0.270 3.685 3.960 -0.009 0.000 0.217 65 G C 1.701 176.655 174.900 0.090 0.000 1.168 65 G CA 1.027 46.176 45.100 0.082 0.000 0.771 65 G HN 0.507 nan 8.290 nan 0.000 0.551 66 R N -1.482 119.080 120.500 0.103 0.000 2.092 66 R HA -0.061 4.274 4.340 -0.009 0.000 0.231 66 R C 2.272 178.660 176.300 0.146 0.000 1.119 66 R CA 1.046 57.193 56.100 0.079 0.000 0.970 66 R CB -0.353 29.976 30.300 0.048 0.000 0.864 66 R HN 0.474 nan 8.270 nan 0.000 0.440 67 W N 1.811 123.099 121.300 -0.019 0.000 2.354 67 W HA -0.075 4.580 4.660 -0.008 0.000 0.315 67 W C 1.752 178.255 176.519 -0.028 0.000 1.206 67 W CA 0.901 58.234 57.345 -0.020 0.000 1.290 67 W CB -0.617 28.850 29.460 0.011 0.000 1.152 67 W HN -0.058 nan 8.180 nan 0.000 0.489 68 I N 0.392 121.034 120.570 0.120 0.000 2.226 68 I HA -0.325 3.840 4.170 -0.009 0.000 0.245 68 I C 2.594 178.705 176.117 -0.011 0.000 1.100 68 I CA 1.389 62.672 61.300 -0.030 0.000 1.374 68 I CB -0.573 37.410 38.000 -0.028 0.000 1.057 68 I HN -0.087 nan 8.210 nan 0.000 0.413 69 R N 0.067 120.575 120.500 0.013 0.000 2.090 69 R HA -0.076 4.259 4.340 -0.009 0.000 0.228 69 R C 2.276 178.547 176.300 -0.048 0.000 1.110 69 R CA 1.629 57.724 56.100 -0.009 0.000 0.973 69 R CB -0.723 29.568 30.300 -0.015 0.000 0.869 69 R HN 0.355 nan 8.270 nan 0.000 0.440 70 T N 1.539 116.047 114.554 -0.076 0.000 2.708 70 T HA -0.129 4.216 4.350 -0.009 0.000 0.266 70 T C 1.863 176.317 174.700 -0.410 0.000 1.037 70 T CA 1.098 63.047 62.100 -0.252 0.000 1.146 70 T CB -0.076 68.683 68.868 -0.182 0.000 0.865 70 T HN 0.166 nan 8.240 nan 0.000 0.435 71 Q N 0.827 120.531 119.800 -0.160 0.000 2.084 71 Q HA -0.099 4.236 4.340 -0.009 0.000 0.202 71 Q C 2.376 178.398 176.000 0.036 0.000 0.978 71 Q CA 1.348 57.130 55.803 -0.033 0.000 0.844 71 Q CB -0.583 28.166 28.738 0.019 0.000 0.898 71 Q HN 0.471 nan 8.270 nan 0.000 0.426 72 Q N 0.156 119.970 119.800 0.023 0.000 2.124 72 Q HA -0.189 4.146 4.340 -0.009 0.000 0.202 72 Q C 1.894 177.986 176.000 0.153 0.000 0.977 72 Q CA 1.915 57.776 55.803 0.095 0.000 0.850 72 Q CB -0.395 28.379 28.738 0.060 0.000 0.901 72 Q HN 0.550 nan 8.270 nan 0.000 0.429 73 H N -0.945 118.099 119.070 -0.044 0.000 2.319 73 H HA -0.169 4.382 4.556 -0.008 0.000 0.299 73 H C 1.132 176.512 175.328 0.085 0.000 1.092 73 H CA 2.229 58.253 56.048 -0.040 0.000 1.302 73 H CB -0.355 29.307 29.762 -0.166 0.000 1.373 73 H HN 0.354 nan 8.280 nan 0.000 0.497 74 Y N -1.062 119.259 120.300 0.035 0.000 2.274 74 Y HA -0.171 4.374 4.550 -0.009 0.000 0.290 74 Y C 2.387 178.307 175.900 0.033 0.000 1.145 74 Y CA 0.984 59.072 58.100 -0.020 0.000 1.203 74 Y CB -1.244 37.272 38.460 0.093 0.000 0.984 74 Y HN 0.354 nan 8.280 nan 0.000 0.533 75 Y N 1.173 121.545 120.300 0.121 0.000 2.200 75 Y HA -0.174 4.370 4.550 -0.009 0.000 0.290 75 Y C 2.015 177.922 175.900 0.012 0.000 1.137 75 Y CA 1.720 59.857 58.100 0.061 0.000 1.163 75 Y CB -0.281 38.205 38.460 0.044 0.000 0.988 75 Y HN 0.202 nan 8.280 nan 0.000 0.518 76 E N -0.322 119.843 120.200 -0.057 0.000 2.046 76 E HA -0.158 4.187 4.350 -0.009 0.000 0.190 76 E C 1.895 178.395 176.600 -0.167 0.000 0.982 76 E CA 1.205 57.514 56.400 -0.153 0.000 0.800 76 E CB -0.040 29.645 29.700 -0.026 0.000 0.756 76 E HN 0.269 nan 8.360 nan 0.000 0.449 77 K N 0.788 121.083 120.400 -0.174 0.000 2.296 77 K HA -0.060 4.254 4.320 -0.009 0.000 0.200 77 K C 0.159 176.692 176.600 -0.112 0.000 1.048 77 K CA 0.554 56.745 56.287 -0.160 0.000 0.966 77 K CB -0.358 31.986 32.500 -0.259 0.000 0.754 77 K HN 0.074 nan 8.250 nan 0.000 0.466 78 D N 1.025 121.369 120.400 -0.093 0.000 2.735 78 D HA -0.113 4.522 4.640 -0.009 0.000 0.235 78 D C -2.240 174.031 176.300 -0.048 0.000 1.175 78 D CA 0.112 54.074 54.000 -0.064 0.000 0.683 78 D CB -0.169 40.566 40.800 -0.108 0.000 1.008 78 D HN 0.194 nan 8.370 nan 0.000 0.416 79 P HA 0.104 nan 4.420 nan 0.000 0.277 79 P C -0.228 177.028 177.300 -0.072 0.000 1.271 79 P CA -0.644 62.418 63.100 -0.063 0.000 0.795 79 P CB 0.647 32.296 31.700 -0.086 0.000 1.101 80 K N 1.022 121.381 120.400 -0.068 0.000 2.368 80 K HA 0.079 4.394 4.320 -0.009 0.000 0.282 80 K C 0.190 176.701 176.600 -0.147 0.000 1.035 80 K CA -0.259 55.982 56.287 -0.076 0.000 0.973 80 K CB 0.334 32.806 32.500 -0.045 0.000 0.957 80 K HN 0.299 nan 8.250 nan 0.000 0.474 81 R N 4.312 124.708 120.500 -0.172 0.000 2.368 81 R HA 0.342 4.677 4.340 -0.009 0.000 0.302 81 R C -0.156 175.860 176.300 -0.473 0.000 1.002 81 R CA -0.800 55.114 56.100 -0.310 0.000 0.929 81 R CB 0.716 30.835 30.300 -0.301 0.000 1.073 81 R HN 0.507 nan 8.270 nan 0.000 0.464 82 I N 3.757 123.999 120.570 -0.545 0.000 2.339 82 I HA 0.243 4.408 4.170 -0.009 0.000 0.290 82 I C -0.493 175.312 176.117 -0.519 0.000 0.994 82 I CA -0.999 59.932 61.300 -0.614 0.000 1.191 82 I CB 0.582 38.111 38.000 -0.785 0.000 1.343 82 I HN 0.429 nan 8.210 nan 0.000 0.458 83 Y N 6.026 126.297 120.300 -0.048 0.000 2.356 83 Y HA 0.275 4.820 4.550 -0.008 0.000 0.334 83 Y C -0.269 175.744 175.900 0.188 0.000 0.958 83 Y CA -0.752 57.448 58.100 0.166 0.000 1.196 83 Y CB 1.065 39.583 38.460 0.097 0.000 1.137 83 Y HN 0.388 nan 8.280 nan 0.000 0.485 84 Y N 4.621 125.107 120.300 0.311 0.000 2.518 84 Y HA 0.464 5.009 4.550 -0.008 0.000 0.344 84 Y C -1.199 174.970 175.900 0.449 0.000 0.982 84 Y CA -0.986 57.303 58.100 0.316 0.000 1.234 84 Y CB 0.232 38.880 38.460 0.314 0.000 1.114 84 Y HN 0.498 nan 8.280 nan 0.000 0.515 85 L N 4.927 126.209 121.223 0.098 0.000 2.265 85 L HA 0.465 4.800 4.340 -0.009 0.000 0.288 85 L C -0.126 176.756 176.870 0.020 0.000 1.058 85 L CA 0.157 55.105 54.840 0.180 0.000 0.809 85 L CB 1.235 43.370 42.059 0.128 0.000 1.179 85 L HN 0.577 nan 8.230 nan 0.000 0.429 86 S N 2.492 118.285 115.700 0.155 0.000 2.536 86 S HA 0.500 4.965 4.470 -0.009 0.000 0.271 86 S C 0.163 174.843 174.600 0.132 0.000 1.134 86 S CA -0.521 57.669 58.200 -0.017 0.000 0.897 86 S CB 1.003 63.963 63.200 -0.400 0.000 1.094 86 S HN 0.457 nan 8.310 nan 0.000 0.473 87 L N 2.820 124.165 121.223 0.203 0.000 2.591 87 L HA 0.459 4.794 4.340 -0.009 0.000 0.228 87 L C 0.258 177.322 176.870 0.323 0.000 1.133 87 L CA 0.929 55.955 54.840 0.310 0.000 0.880 87 L CB -0.101 42.154 42.059 0.327 0.000 1.033 87 L HN 0.647 nan 8.230 nan 0.000 0.450 88 E N -1.220 119.038 120.200 0.097 0.000 2.292 88 E HA 0.398 4.743 4.350 -0.009 0.000 0.272 88 E C -1.390 175.077 176.600 -0.221 0.000 0.881 88 E CA -0.436 56.003 56.400 0.065 0.000 0.754 88 E CB 1.913 31.635 29.700 0.036 0.000 1.201 88 E HN -0.163 nan 8.360 nan 0.000 0.425 89 F N 2.151 122.210 119.950 0.182 0.000 2.902 89 F HA 0.170 4.692 4.527 -0.009 0.000 0.368 89 F C -0.852 175.036 175.800 0.146 0.000 1.202 89 F CA -0.745 57.353 58.000 0.163 0.000 1.109 89 F CB 0.973 40.062 39.000 0.148 0.000 1.418 89 F HN 0.492 nan 8.300 nan 0.000 0.527 90 Y N 5.181 125.559 120.300 0.130 0.000 2.636 90 Y HA 0.197 4.742 4.550 -0.008 0.000 0.334 90 Y C 1.096 177.022 175.900 0.043 0.000 1.286 90 Y CA -0.975 57.151 58.100 0.045 0.000 1.688 90 Y CB 0.237 38.706 38.460 0.015 0.000 1.662 90 Y HN 0.540 nan 8.280 nan 0.000 0.465 91 M N 1.090 120.831 119.600 0.234 0.000 2.200 91 M HA 0.073 4.548 4.480 -0.009 0.000 0.265 91 M C 1.621 177.910 176.300 -0.018 0.000 1.066 91 M CA 1.182 56.529 55.300 0.079 0.000 1.127 91 M CB -1.306 31.315 32.600 0.034 0.000 1.379 91 M HN 0.667 nan 8.290 nan 0.000 0.420 92 G N 0.941 109.745 108.800 0.007 0.000 2.539 92 G HA2 -0.268 3.687 3.960 -0.009 0.000 0.256 92 G HA3 -0.268 3.687 3.960 -0.009 0.000 0.256 92 G C -0.268 174.594 174.900 -0.062 0.000 1.233 92 G CA -0.289 44.772 45.100 -0.064 0.000 0.936 92 G HN 0.435 nan 8.290 nan 0.000 0.571 93 R N -0.554 119.886 120.500 -0.101 0.000 2.531 93 R HA 0.574 4.909 4.340 -0.009 0.000 0.273 93 R C 1.056 177.238 176.300 -0.197 0.000 1.070 93 R CA 0.310 56.356 56.100 -0.090 0.000 1.112 93 R CB 0.801 31.054 30.300 -0.079 0.000 1.049 93 R HN 0.525 nan 8.270 nan 0.000 0.508 94 T N 1.404 115.786 114.554 -0.287 0.000 2.990 94 T HA -0.014 4.331 4.350 -0.009 0.000 0.249 94 T C 1.458 175.761 174.700 -0.660 0.000 1.039 94 T CA -0.151 61.564 62.100 -0.641 0.000 1.036 94 T CB 0.126 68.220 68.868 -1.290 0.000 0.994 94 T HN 0.308 nan 8.240 nan 0.000 0.489 95 L N 1.977 123.047 121.223 -0.255 0.000 1.970 95 L HA -0.080 4.255 4.340 -0.009 0.000 0.212 95 L C 2.444 179.281 176.870 -0.055 0.000 1.071 95 L CA 2.020 56.871 54.840 0.019 0.000 0.751 95 L CB -0.738 41.534 42.059 0.354 0.000 0.889 95 L HN 0.183 nan 8.230 nan 0.000 0.432 96 Q N -0.830 118.935 119.800 -0.058 0.000 2.084 96 Q HA -0.247 4.088 4.340 -0.009 0.000 0.202 96 Q C 2.244 178.173 176.000 -0.119 0.000 0.978 96 Q CA 1.795 57.558 55.803 -0.068 0.000 0.844 96 Q CB -0.293 28.402 28.738 -0.073 0.000 0.898 96 Q HN 0.692 nan 8.270 nan 0.000 0.426 97 N N -0.935 117.655 118.700 -0.183 0.000 2.149 97 N HA -0.151 4.584 4.740 -0.009 0.000 0.188 97 N C 1.331 176.735 175.510 -0.177 0.000 1.019 97 N CA 1.751 54.683 53.050 -0.196 0.000 0.857 97 N CB 0.092 38.430 38.487 -0.250 0.000 0.997 97 N HN 0.209 nan 8.380 nan 0.000 0.426 98 T N 1.219 115.635 114.554 -0.230 0.000 2.777 98 T HA -0.026 4.319 4.350 -0.009 0.000 0.266 98 T C 2.061 176.701 174.700 -0.100 0.000 1.040 98 T CA 0.958 62.941 62.100 -0.195 0.000 1.141 98 T CB -0.037 68.673 68.868 -0.262 0.000 0.868 98 T HN 0.266 nan 8.240 nan 0.000 0.444 99 M N 0.647 120.204 119.600 -0.070 0.000 2.117 99 M HA -0.079 4.396 4.480 -0.009 0.000 0.262 99 M C 2.481 178.747 176.300 -0.055 0.000 1.065 99 M CA 1.225 56.497 55.300 -0.047 0.000 1.114 99 M CB -0.720 31.869 32.600 -0.019 0.000 1.361 99 M HN 0.102 nan 8.290 nan 0.000 0.408 100 V N 1.113 120.999 119.914 -0.046 0.000 2.287 100 V HA -0.278 3.837 4.120 -0.009 0.000 0.248 100 V C 1.792 177.889 176.094 0.006 0.000 1.053 100 V CA 2.010 64.308 62.300 -0.005 0.000 1.027 100 V CB -0.899 30.926 31.823 0.004 0.000 0.646 100 V HN 0.473 nan 8.190 nan 0.000 0.447 101 N N -0.237 118.454 118.700 -0.015 0.000 2.453 101 N HA -0.003 4.732 4.740 -0.009 0.000 0.183 101 N C 1.319 176.729 175.510 -0.168 0.000 1.041 101 N CA 0.905 53.923 53.050 -0.054 0.000 0.900 101 N CB -0.137 38.332 38.487 -0.030 0.000 0.961 101 N HN 0.429 nan 8.380 nan 0.000 0.443 102 L N -0.844 120.301 121.223 -0.131 0.000 2.693 102 L HA 0.366 4.701 4.340 -0.009 0.000 0.235 102 L C 0.483 177.265 176.870 -0.146 0.000 1.127 102 L CA -0.144 54.617 54.840 -0.132 0.000 0.914 102 L CB -0.000 42.005 42.059 -0.090 0.000 1.193 102 L HN -0.017 nan 8.230 nan 0.000 0.502 103 A N 0.586 123.319 122.820 -0.145 0.000 2.869 103 A HA -0.204 4.111 4.320 -0.009 0.000 0.280 103 A C 0.855 178.378 177.584 -0.101 0.000 1.458 103 A CA 0.885 52.848 52.037 -0.122 0.000 0.776 103 A CB -2.056 16.858 19.000 -0.143 0.000 1.028 103 A HN 0.423 nan 8.150 nan 0.000 0.547 104 L N -1.489 119.675 121.223 -0.098 0.000 2.693 104 L HA 0.156 4.491 4.340 -0.009 0.000 0.235 104 L C 1.918 178.753 176.870 -0.059 0.000 1.127 104 L CA 0.687 55.465 54.840 -0.102 0.000 0.914 104 L CB 0.050 42.018 42.059 -0.150 0.000 1.193 104 L HN 0.644 nan 8.230 nan 0.000 0.502 105 E N 0.915 121.089 120.200 -0.043 0.000 2.058 105 E HA -0.240 4.105 4.350 -0.009 0.000 0.194 105 E C 1.685 178.273 176.600 -0.020 0.000 0.997 105 E CA 1.498 57.883 56.400 -0.023 0.000 0.801 105 E CB 0.260 29.948 29.700 -0.019 0.000 0.746 105 E HN 0.428 nan 8.360 nan 0.000 0.450 106 N N -0.031 118.653 118.700 -0.026 0.000 2.171 106 N HA -0.096 4.639 4.740 -0.009 0.000 0.184 106 N C 1.607 177.103 175.510 -0.023 0.000 1.021 106 N CA 1.143 54.178 53.050 -0.025 0.000 0.854 106 N CB -0.377 38.094 38.487 -0.027 0.000 0.994 106 N HN 0.201 nan 8.380 nan 0.000 0.426 107 A N 0.722 123.526 122.820 -0.027 0.000 1.865 107 A HA -0.175 4.140 4.320 -0.009 0.000 0.217 107 A C 2.668 180.246 177.584 -0.010 0.000 1.191 107 A CA 1.507 53.532 52.037 -0.021 0.000 0.623 107 A CB -1.099 17.878 19.000 -0.038 0.000 0.826 107 A HN 0.440 nan 8.150 nan 0.000 0.444 108 C N -0.860 118.434 119.300 -0.010 0.000 2.440 108 C HA -0.069 4.386 4.460 -0.009 0.000 0.278 108 C C 2.481 177.473 174.990 0.004 0.000 1.295 108 C CA 1.055 60.077 59.018 0.007 0.000 1.738 108 C CB -1.135 26.621 27.740 0.025 0.000 1.987 108 C HN 0.675 nan 8.230 nan 0.000 0.492 109 D N 0.652 121.054 120.400 0.003 0.000 2.097 109 D HA -0.137 4.498 4.640 -0.009 0.000 0.195 109 D C 2.135 178.452 176.300 0.028 0.000 0.989 109 D CA 1.502 55.507 54.000 0.008 0.000 0.827 109 D CB -0.236 40.558 40.800 -0.011 0.000 0.966 109 D HN 0.484 nan 8.370 nan 0.000 0.456 110 E N 0.489 120.700 120.200 0.017 0.000 2.028 110 E HA -0.068 4.277 4.350 -0.009 0.000 0.191 110 E C 1.916 178.559 176.600 0.073 0.000 0.988 110 E CA 1.733 58.164 56.400 0.053 0.000 0.799 110 E CB -0.607 29.105 29.700 0.021 0.000 0.755 110 E HN 0.184 nan 8.360 nan 0.000 0.447 111 A N -0.093 122.734 122.820 0.012 0.000 1.883 111 A HA -0.235 4.080 4.320 -0.009 0.000 0.217 111 A C 2.505 180.016 177.584 -0.120 0.000 1.186 111 A CA 3.032 55.048 52.037 -0.035 0.000 0.624 111 A CB -1.523 17.460 19.000 -0.029 0.000 0.822 111 A HN 0.537 nan 8.150 nan 0.000 0.444 112 T N -3.865 110.609 114.554 -0.134 0.000 2.904 112 T HA -0.185 4.160 4.350 -0.009 0.000 0.267 112 T C 1.827 176.438 174.700 -0.149 0.000 1.059 112 T CA 1.454 63.409 62.100 -0.242 0.000 1.137 112 T CB -0.548 68.214 68.868 -0.177 0.000 0.879 112 T HN 0.471 nan 8.240 nan 0.000 0.467 113 Y N 2.196 122.415 120.300 -0.136 0.000 2.145 113 Y HA -0.085 4.460 4.550 -0.008 0.000 0.286 113 Y C 2.600 178.438 175.900 -0.103 0.000 1.145 113 Y CA 1.529 59.569 58.100 -0.100 0.000 1.148 113 Y CB -0.576 37.844 38.460 -0.066 0.000 0.981 113 Y HN 0.234 nan 8.280 nan 0.000 0.507 114 Q N -0.228 119.472 119.800 -0.167 0.000 2.291 114 Q HA -0.104 4.231 4.340 -0.009 0.000 0.206 114 Q C 1.794 177.648 176.000 -0.242 0.000 0.976 114 Q CA 1.290 56.961 55.803 -0.219 0.000 0.875 114 Q CB -0.100 28.600 28.738 -0.064 0.000 0.927 114 Q HN 0.519 nan 8.270 nan 0.000 0.450 115 L N -0.813 120.254 121.223 -0.260 0.000 2.591 115 L HA 0.170 4.505 4.340 -0.009 0.000 0.228 115 L C 0.885 177.585 176.870 -0.283 0.000 1.133 115 L CA 0.184 54.865 54.840 -0.265 0.000 0.880 115 L CB 0.043 41.870 42.059 -0.386 0.000 1.033 115 L HN 0.306 nan 8.230 nan 0.000 0.450 116 G N 1.016 109.624 108.800 -0.320 0.000 2.198 116 G HA2 -0.258 3.696 3.960 -0.009 0.000 0.257 116 G HA3 -0.258 3.696 3.960 -0.009 0.000 0.257 116 G C -0.212 174.541 174.900 -0.245 0.000 1.042 116 G CA -0.030 44.895 45.100 -0.292 0.000 0.791 116 G HN 0.254 nan 8.290 nan 0.000 0.502 117 L N -0.410 120.668 121.223 -0.242 0.000 2.370 117 L HA 0.575 4.909 4.340 -0.009 0.000 0.266 117 L C -0.655 176.175 176.870 -0.067 0.000 1.002 117 L CA -1.188 53.539 54.840 -0.189 0.000 0.818 117 L CB 2.000 43.879 42.059 -0.299 0.000 1.325 117 L HN 0.099 nan 8.230 nan 0.000 0.418 118 D N 2.305 122.698 120.400 -0.012 0.000 2.396 118 D HA 0.171 4.805 4.640 -0.009 0.000 0.225 118 D C 0.686 177.012 176.300 0.044 0.000 1.121 118 D CA -0.232 53.791 54.000 0.038 0.000 0.853 118 D CB 1.454 42.282 40.800 0.047 0.000 1.043 118 D HN 0.513 nan 8.370 nan 0.000 0.500 119 M N 3.124 122.751 119.600 0.046 0.000 2.149 119 M HA -0.163 4.312 4.480 -0.009 0.000 0.261 119 M C 1.356 177.698 176.300 0.069 0.000 1.064 119 M CA 1.558 56.895 55.300 0.061 0.000 1.102 119 M CB 0.183 32.813 32.600 0.049 0.000 1.369 119 M HN 0.422 nan 8.290 nan 0.000 0.408 120 E N -0.212 120.020 120.200 0.054 0.000 2.110 120 E HA -0.260 4.085 4.350 -0.009 0.000 0.193 120 E C 1.859 178.492 176.600 0.055 0.000 0.988 120 E CA 1.443 57.873 56.400 0.050 0.000 0.804 120 E CB -0.145 29.582 29.700 0.046 0.000 0.745 120 E HN 0.646 nan 8.360 nan 0.000 0.458 121 E N 0.633 120.869 120.200 0.060 0.000 2.072 121 E HA -0.163 4.182 4.350 -0.009 0.000 0.191 121 E C 2.156 178.796 176.600 0.067 0.000 0.985 121 E CA 0.550 56.986 56.400 0.060 0.000 0.801 121 E CB 0.087 29.825 29.700 0.063 0.000 0.750 121 E HN 0.207 nan 8.360 nan 0.000 0.452 122 L N 0.580 121.865 121.223 0.103 0.000 2.093 122 L HA -0.148 4.187 4.340 -0.009 0.000 0.208 122 L C 2.305 179.229 176.870 0.090 0.000 1.085 122 L CA 1.141 56.075 54.840 0.157 0.000 0.755 122 L CB -0.383 41.826 42.059 0.249 0.000 0.904 122 L HN 0.133 nan 8.230 nan 0.000 0.435 123 E N -0.066 120.181 120.200 0.078 0.000 2.153 123 E HA -0.198 4.147 4.350 -0.009 0.000 0.194 123 E C 1.907 178.463 176.600 -0.075 0.000 0.988 123 E CA 0.736 57.151 56.400 0.025 0.000 0.811 123 E CB 0.011 29.736 29.700 0.041 0.000 0.746 123 E HN 0.380 nan 8.360 nan 0.000 0.466 124 E N 0.349 120.524 120.200 -0.041 0.000 2.409 124 E HA -0.102 4.243 4.350 -0.009 0.000 0.198 124 E C 1.836 178.371 176.600 -0.107 0.000 1.024 124 E CA 0.545 56.921 56.400 -0.040 0.000 0.861 124 E CB 0.065 29.775 29.700 0.017 0.000 0.788 124 E HN 0.428 nan 8.360 nan 0.000 0.521 125 I N 0.671 121.113 120.570 -0.213 0.000 2.716 125 I HA -0.078 4.087 4.170 -0.009 0.000 0.259 125 I C 1.335 177.145 176.117 -0.512 0.000 1.172 125 I CA 0.112 61.226 61.300 -0.309 0.000 1.478 125 I CB 0.099 37.927 38.000 -0.286 0.000 1.104 125 I HN -0.024 nan 8.210 nan 0.000 0.439 126 E N 2.460 122.221 120.200 -0.731 0.000 2.376 126 E HA -0.061 4.283 4.350 -0.009 0.000 0.266 126 E C -0.067 176.439 176.600 -0.156 0.000 1.009 126 E CA -0.157 55.873 56.400 -0.618 0.000 0.902 126 E CB 0.661 30.111 29.700 -0.416 0.000 0.972 126 E HN 0.059 nan 8.360 nan 0.000 0.439 127 E N 2.875 123.085 120.200 0.016 0.000 2.354 127 E HA 0.088 4.433 4.350 -0.009 0.000 0.269 127 E C -1.216 175.497 176.600 0.188 0.000 1.036 127 E CA -0.304 56.191 56.400 0.158 0.000 0.876 127 E CB 0.807 30.690 29.700 0.305 0.000 1.009 127 E HN 0.358 nan 8.360 nan 0.000 0.416 128 D N 1.619 122.105 120.400 0.143 0.000 2.389 128 D HA 0.268 4.903 4.640 -0.009 0.000 0.247 128 D C -0.808 175.535 176.300 0.072 0.000 1.128 128 D CA 0.149 54.205 54.000 0.093 0.000 0.884 128 D CB 1.011 41.849 40.800 0.063 0.000 1.194 128 D HN 0.428 nan 8.370 nan 0.000 0.441 129 A N 2.360 125.177 122.820 -0.006 0.000 2.666 129 A HA 0.476 4.791 4.320 -0.009 0.000 0.312 129 A C 0.971 178.394 177.584 -0.267 0.000 1.471 129 A CA -0.453 51.381 52.037 -0.339 0.000 1.134 129 A CB -0.265 18.630 19.000 -0.176 0.000 1.129 129 A HN 0.523 nan 8.150 nan 0.000 0.539 130 G N 2.105 110.687 108.800 -0.363 0.000 3.717 130 G HA2 0.421 4.376 3.960 -0.009 0.000 0.258 130 G HA3 0.421 4.376 3.960 -0.009 0.000 0.258 130 G C 0.283 174.935 174.900 -0.413 0.000 1.088 130 G CA -0.310 44.649 45.100 -0.236 0.000 1.737 130 G HN 0.692 nan 8.290 nan 0.000 0.648 131 L N 1.428 122.468 121.223 -0.304 0.000 2.939 131 L HA 0.384 4.719 4.340 -0.009 0.000 0.239 131 L C 1.020 177.819 176.870 -0.118 0.000 1.325 131 L CA -0.220 54.551 54.840 -0.114 0.000 1.170 131 L CB -0.353 41.773 42.059 0.112 0.000 1.538 131 L HN 0.334 nan 8.230 nan 0.000 0.452 132 G N -1.238 107.263 108.800 -0.498 0.000 2.660 132 G HA2 0.216 4.171 3.960 -0.009 0.000 0.290 132 G HA3 0.216 4.171 3.960 -0.009 0.000 0.290 132 G C -0.175 174.265 174.900 -0.766 0.000 1.432 132 G CA -0.446 44.350 45.100 -0.507 0.000 0.807 132 G HN -0.075 nan 8.290 nan 0.000 0.485 133 N N -0.815 117.679 118.700 -0.344 0.000 2.436 133 N HA 0.211 4.946 4.740 -0.009 0.000 0.178 133 N C 1.127 176.655 175.510 0.030 0.000 1.026 133 N CA 1.242 54.181 53.050 -0.185 0.000 0.880 133 N CB 1.279 39.754 38.487 -0.020 0.000 1.061 133 N HN 0.789 nan 8.380 nan 0.000 0.434 134 G N -0.722 108.174 108.800 0.160 0.000 2.929 134 G HA2 0.262 4.216 3.960 -0.009 0.000 0.123 134 G HA3 0.262 4.216 3.960 -0.009 0.000 0.123 134 G C 0.722 175.746 174.900 0.207 0.000 1.212 134 G CA 0.250 45.511 45.100 0.268 0.000 1.238 134 G HN 0.145 nan 8.290 nan 0.000 0.617 135 G N 0.368 109.230 108.800 0.104 0.000 2.476 135 G HA2 -0.152 3.803 3.960 -0.009 0.000 0.218 135 G HA3 -0.152 3.803 3.960 -0.009 0.000 0.218 135 G C 1.876 176.769 174.900 -0.012 0.000 1.164 135 G CA 1.520 46.641 45.100 0.034 0.000 0.768 135 G HN 0.753 nan 8.290 nan 0.000 0.560 136 L N 0.598 121.792 121.223 -0.050 0.000 2.046 136 L HA 0.080 4.415 4.340 -0.009 0.000 0.208 136 L C 2.840 179.644 176.870 -0.110 0.000 1.077 136 L CA 1.982 56.708 54.840 -0.190 0.000 0.747 136 L CB -0.561 41.331 42.059 -0.278 0.000 0.896 136 L HN 0.247 nan 8.230 nan 0.000 0.432 137 G N -0.632 108.169 108.800 0.001 0.000 2.408 137 G HA2 -0.302 3.653 3.960 -0.009 0.000 0.217 137 G HA3 -0.302 3.653 3.960 -0.009 0.000 0.217 137 G C 1.632 176.610 174.900 0.130 0.000 1.150 137 G CA 0.680 45.809 45.100 0.047 0.000 0.776 137 G HN 0.301 nan 8.290 nan 0.000 0.542 138 R N 0.016 120.619 120.500 0.172 0.000 2.115 138 R HA 0.125 4.460 4.340 -0.009 0.000 0.226 138 R C 2.279 178.588 176.300 0.015 0.000 1.100 138 R CA 0.769 56.937 56.100 0.114 0.000 0.980 138 R CB -0.817 29.502 30.300 0.032 0.000 0.875 138 R HN 0.333 nan 8.270 nan 0.000 0.445 139 L N 0.128 121.292 121.223 -0.099 0.000 2.046 139 L HA 0.017 4.352 4.340 -0.009 0.000 0.208 139 L C 2.069 178.663 176.870 -0.461 0.000 1.077 139 L CA 2.177 56.819 54.840 -0.330 0.000 0.747 139 L CB -0.867 40.954 42.059 -0.395 0.000 0.896 139 L HN 0.242 nan 8.230 nan 0.000 0.432 140 A N -0.595 122.091 122.820 -0.223 0.000 1.933 140 A HA -0.126 4.189 4.320 -0.009 0.000 0.218 140 A C 2.440 180.104 177.584 0.134 0.000 1.175 140 A CA 1.802 53.792 52.037 -0.077 0.000 0.628 140 A CB -1.116 17.805 19.000 -0.132 0.000 0.814 140 A HN 0.577 nan 8.150 nan 0.000 0.444 141 A N -0.990 121.933 122.820 0.171 0.000 1.873 141 A HA -0.164 4.151 4.320 -0.009 0.000 0.215 141 A C 2.307 179.980 177.584 0.149 0.000 1.186 141 A CA 1.657 53.819 52.037 0.209 0.000 0.616 141 A CB -1.282 17.825 19.000 0.178 0.000 0.823 141 A HN 0.597 nan 8.150 nan 0.000 0.442 142 C N -1.469 117.918 119.300 0.145 0.000 2.425 142 C HA -0.053 4.402 4.460 -0.009 0.000 0.277 142 C C 2.425 177.592 174.990 0.295 0.000 1.280 142 C CA 0.543 59.685 59.018 0.207 0.000 1.744 142 C CB -1.632 26.253 27.740 0.241 0.000 1.989 142 C HN 0.596 nan 8.230 nan 0.000 0.491 143 F N 1.221 121.162 119.950 -0.015 0.000 2.134 143 F HA -0.060 4.462 4.527 -0.009 0.000 0.299 143 F C 2.252 177.994 175.800 -0.096 0.000 1.097 143 F CA 1.012 58.947 58.000 -0.107 0.000 1.264 143 F CB -1.356 37.444 39.000 -0.333 0.000 1.001 143 F HN 0.184 nan 8.300 nan 0.000 0.479 144 L N -0.384 120.918 121.223 0.132 0.000 2.042 144 L HA -0.256 4.079 4.340 -0.009 0.000 0.210 144 L C 2.157 179.040 176.870 0.021 0.000 1.076 144 L CA 1.986 56.856 54.840 0.049 0.000 0.749 144 L CB -0.813 41.277 42.059 0.053 0.000 0.893 144 L HN 0.116 nan 8.230 nan 0.000 0.432 145 D N -0.392 120.032 120.400 0.041 0.000 2.097 145 D HA -0.177 4.458 4.640 -0.009 0.000 0.195 145 D C 2.214 178.530 176.300 0.028 0.000 0.989 145 D CA 1.568 55.578 54.000 0.016 0.000 0.827 145 D CB 0.188 40.998 40.800 0.017 0.000 0.966 145 D HN 0.075 nan 8.370 nan 0.000 0.456 146 S N -0.744 114.988 115.700 0.053 0.000 2.383 146 S HA -0.109 4.355 4.470 -0.009 0.000 0.227 146 S C 1.997 176.607 174.600 0.016 0.000 1.026 146 S CA 0.892 59.113 58.200 0.035 0.000 0.981 146 S CB -0.227 62.995 63.200 0.038 0.000 0.818 146 S HN 0.347 nan 8.310 nan 0.000 0.472 147 M N 0.910 120.512 119.600 0.003 0.000 2.159 147 M HA -0.093 4.382 4.480 -0.009 0.000 0.263 147 M C 2.427 178.728 176.300 0.001 0.000 1.063 147 M CA 1.409 56.708 55.300 -0.002 0.000 1.110 147 M CB -0.500 32.078 32.600 -0.035 0.000 1.374 147 M HN 0.393 nan 8.290 nan 0.000 0.411 148 A N -0.397 122.422 122.820 -0.002 0.000 1.929 148 A HA -0.092 4.223 4.320 -0.009 0.000 0.216 148 A C 2.145 179.746 177.584 0.028 0.000 1.176 148 A CA 1.784 53.825 52.037 0.006 0.000 0.628 148 A CB -0.933 18.055 19.000 -0.021 0.000 0.816 148 A HN 0.403 nan 8.150 nan 0.000 0.444 149 T N 0.212 114.787 114.554 0.035 0.000 2.962 149 T HA 0.054 4.399 4.350 -0.009 0.000 0.270 149 T C 1.197 175.929 174.700 0.052 0.000 1.088 149 T CA 0.891 63.025 62.100 0.058 0.000 1.127 149 T CB -0.237 68.672 68.868 0.068 0.000 0.883 149 T HN 0.335 nan 8.240 nan 0.000 0.493 150 L N 0.466 121.715 121.223 0.044 0.000 2.741 150 L HA 0.323 4.657 4.340 -0.009 0.000 0.237 150 L C 1.584 178.487 176.870 0.056 0.000 1.178 150 L CA -0.182 54.686 54.840 0.046 0.000 0.973 150 L CB -0.328 41.757 42.059 0.043 0.000 1.255 150 L HN 0.356 nan 8.230 nan 0.000 0.498 151 G N 1.201 110.039 108.800 0.064 0.000 2.283 151 G HA2 -0.292 3.663 3.960 -0.009 0.000 0.280 151 G HA3 -0.292 3.663 3.960 -0.009 0.000 0.280 151 G C 0.131 175.086 174.900 0.093 0.000 1.029 151 G CA 0.136 45.294 45.100 0.097 0.000 0.840 151 G HN 0.301 nan 8.290 nan 0.000 0.505 152 L N -0.086 121.158 121.223 0.035 0.000 2.312 152 L HA 0.589 4.924 4.340 -0.009 0.000 0.281 152 L C 1.220 177.974 176.870 -0.193 0.000 1.070 152 L CA -0.366 54.445 54.840 -0.047 0.000 0.805 152 L CB 1.604 43.646 42.059 -0.027 0.000 1.174 152 L HN 0.253 nan 8.230 nan 0.000 0.434 153 A N 3.378 125.940 122.820 -0.430 0.000 2.981 153 A HA 0.533 4.848 4.320 -0.009 0.000 0.280 153 A C 0.350 177.566 177.584 -0.613 0.000 1.743 153 A CA -0.129 51.349 52.037 -0.931 0.000 1.430 153 A CB -0.659 17.669 19.000 -1.119 0.000 1.085 153 A HN 0.702 nan 8.150 nan 0.000 0.597 154 A N 1.438 123.951 122.820 -0.512 0.000 2.340 154 A HA 0.802 5.117 4.320 -0.009 0.000 0.331 154 A C -1.000 176.294 177.584 -0.482 0.000 1.140 154 A CA -0.466 51.330 52.037 -0.401 0.000 0.801 154 A CB 0.766 19.613 19.000 -0.254 0.000 1.234 154 A HN 0.619 nan 8.150 nan 0.000 0.469 155 Y N 0.159 120.395 120.300 -0.106 0.000 2.373 155 Y HA 0.532 5.077 4.550 -0.008 0.000 0.336 155 Y C 0.806 176.784 175.900 0.130 0.000 0.979 155 Y CA -0.516 57.591 58.100 0.012 0.000 1.080 155 Y CB 2.408 40.967 38.460 0.164 0.000 1.190 155 Y HN 0.837 nan 8.280 nan 0.000 0.446 156 G N 2.225 111.092 108.800 0.112 0.000 2.325 156 G HA2 0.446 4.401 3.960 -0.009 0.000 0.298 156 G HA3 0.446 4.401 3.960 -0.009 0.000 0.298 156 G C -1.753 173.150 174.900 0.006 0.000 1.134 156 G CA -0.262 44.937 45.100 0.166 0.000 0.876 156 G HN 0.517 nan 8.290 nan 0.000 0.452 157 Y N 1.244 121.784 120.300 0.401 0.000 2.331 157 Y HA 0.619 5.164 4.550 -0.009 0.000 0.334 157 Y C 0.769 176.979 175.900 0.517 0.000 0.960 157 Y CA 0.185 58.486 58.100 0.336 0.000 1.130 157 Y CB 2.558 41.232 38.460 0.358 0.000 1.164 157 Y HN 0.852 nan 8.280 nan 0.000 0.458 158 G N 2.467 111.591 108.800 0.540 0.000 2.846 158 G HA2 0.616 4.571 3.960 -0.009 0.000 0.299 158 G HA3 0.616 4.571 3.960 -0.009 0.000 0.299 158 G C -1.675 173.462 174.900 0.395 0.000 1.242 158 G CA -0.823 44.619 45.100 0.570 0.000 0.800 158 G HN 0.413 nan 8.290 nan 0.000 0.538 159 I N 0.514 121.208 120.570 0.206 0.000 2.474 159 I HA 0.435 4.600 4.170 -0.009 0.000 0.294 159 I C 0.182 176.201 176.117 -0.162 0.000 1.005 159 I CA -0.734 60.573 61.300 0.012 0.000 1.113 159 I CB 2.276 40.092 38.000 -0.307 0.000 1.289 159 I HN 0.369 nan 8.210 nan 0.000 0.436 160 R N 6.053 126.568 120.500 0.025 0.000 2.419 160 R HA 0.251 4.586 4.340 -0.009 0.000 0.305 160 R C -1.313 175.054 176.300 0.111 0.000 1.242 160 R CA -0.412 55.741 56.100 0.087 0.000 1.105 160 R CB 0.010 30.334 30.300 0.041 0.000 1.116 160 R HN 0.396 nan 8.270 nan 0.000 0.523 161 Y N 1.728 122.198 120.300 0.282 0.000 2.425 161 Y HA -0.022 4.523 4.550 -0.009 0.000 0.331 161 Y C 1.440 177.534 175.900 0.324 0.000 1.157 161 Y CA -0.029 58.229 58.100 0.263 0.000 1.372 161 Y CB 0.895 39.484 38.460 0.215 0.000 1.253 161 Y HN 0.572 nan 8.280 nan 0.000 0.536 162 E N 1.789 122.195 120.200 0.343 0.000 2.107 162 E HA -0.069 4.275 4.350 -0.009 0.000 0.191 162 E C -0.715 175.799 176.600 -0.144 0.000 0.982 162 E CA 0.861 57.267 56.400 0.011 0.000 0.809 162 E CB 0.134 29.745 29.700 -0.149 0.000 0.756 162 E HN 0.409 nan 8.360 nan 0.000 0.459 163 F N -0.204 119.972 119.950 0.376 0.000 2.477 163 F HA 0.395 4.917 4.527 -0.009 0.000 0.335 163 F C 0.799 176.691 175.800 0.153 0.000 1.130 163 F CA -0.927 57.250 58.000 0.294 0.000 0.948 163 F CB 1.767 40.869 39.000 0.170 0.000 1.154 163 F HN -0.166 nan 8.300 nan 0.000 0.439 164 G N 1.873 110.774 108.800 0.167 0.000 2.582 164 G HA2 0.350 4.305 3.960 -0.009 0.000 0.232 164 G HA3 0.350 4.305 3.960 -0.009 0.000 0.232 164 G C -0.511 174.344 174.900 -0.076 0.000 1.458 164 G CA -0.667 44.375 45.100 -0.096 0.000 1.062 164 G HN 0.536 nan 8.290 nan 0.000 0.566 165 I N 0.865 121.307 120.570 -0.214 0.000 2.775 165 I HA 0.218 4.383 4.170 -0.009 0.000 0.290 165 I C 0.461 176.480 176.117 -0.163 0.000 1.203 165 I CA -1.189 59.956 61.300 -0.258 0.000 1.433 165 I CB -0.215 37.530 38.000 -0.424 0.000 1.354 165 I HN 0.321 nan 8.210 nan 0.000 0.579 166 F N 6.336 126.302 119.950 0.027 0.000 2.553 166 F HA 0.303 4.825 4.527 -0.008 0.000 0.356 166 F C 0.446 176.302 175.800 0.094 0.000 1.142 166 F CA -0.644 57.396 58.000 0.067 0.000 1.322 166 F CB -0.324 38.703 39.000 0.045 0.000 1.126 166 F HN 0.416 nan 8.300 nan 0.000 0.599 167 N N 2.550 121.447 118.700 0.327 0.000 2.458 167 N HA 0.048 4.783 4.740 -0.009 0.000 0.270 167 N C -0.782 174.978 175.510 0.417 0.000 1.102 167 N CA -0.258 52.953 53.050 0.269 0.000 0.967 167 N CB 1.158 39.786 38.487 0.236 0.000 1.078 167 N HN 0.767 nan 8.380 nan 0.000 0.471 168 Q N 2.485 122.505 119.800 0.367 0.000 2.274 168 Q HA 0.168 4.503 4.340 -0.009 0.000 0.256 168 Q C -0.940 175.230 176.000 0.283 0.000 0.927 168 Q CA -0.333 55.714 55.803 0.406 0.000 0.939 168 Q CB 0.695 29.681 28.738 0.414 0.000 1.201 168 Q HN 0.213 nan 8.270 nan 0.000 0.426 169 K N 4.101 124.639 120.400 0.229 0.000 2.259 169 K HA 0.484 4.799 4.320 -0.009 0.000 0.252 169 K C -0.725 175.962 176.600 0.145 0.000 0.936 169 K CA -0.865 55.531 56.287 0.181 0.000 0.810 169 K CB 1.595 34.184 32.500 0.149 0.000 1.143 169 K HN 0.634 nan 8.250 nan 0.000 0.427 170 I N 2.518 123.161 120.570 0.123 0.000 2.355 170 I HA 0.226 4.391 4.170 -0.009 0.000 0.288 170 I C -0.347 175.816 176.117 0.077 0.000 0.999 170 I CA -0.635 60.707 61.300 0.069 0.000 1.163 170 I CB 0.767 38.783 38.000 0.028 0.000 1.316 170 I HN 0.389 nan 8.210 nan 0.000 0.454 171 C N 3.876 123.235 119.300 0.098 0.000 2.340 171 C HA 0.600 5.055 4.460 -0.009 0.000 0.323 171 C C 1.182 176.272 174.990 0.166 0.000 1.260 171 C CA -0.425 58.660 59.018 0.112 0.000 1.464 171 C CB 0.614 28.416 27.740 0.103 0.000 2.156 171 C HN 1.085 nan 8.230 nan 0.000 0.476 172 G N 2.367 111.241 108.800 0.123 0.000 2.225 172 G HA2 0.099 4.054 3.960 -0.009 0.000 0.267 172 G HA3 0.099 4.054 3.960 -0.009 0.000 0.267 172 G C 1.095 176.019 174.900 0.040 0.000 1.024 172 G CA 1.006 46.194 45.100 0.147 0.000 0.784 172 G HN 2.417 nan 8.290 nan 0.000 0.507 173 G N -2.976 105.787 108.800 -0.062 0.000 2.179 173 G HA2 -0.289 3.666 3.960 -0.009 0.000 0.260 173 G HA3 -0.289 3.666 3.960 -0.009 0.000 0.260 173 G C 0.330 174.984 174.900 -0.410 0.000 0.977 173 G CA 0.683 45.623 45.100 -0.268 0.000 0.641 173 G HN 1.197 nan 8.290 nan 0.000 0.533 174 W N 0.674 121.915 121.300 -0.099 0.000 2.512 174 W HA 0.662 5.317 4.660 -0.008 0.000 0.335 174 W C 0.596 177.052 176.519 -0.105 0.000 1.088 174 W CA -0.904 56.374 57.345 -0.111 0.000 1.236 174 W CB 0.871 30.283 29.460 -0.081 0.000 1.307 174 W HN 0.246 nan 8.180 nan 0.000 0.567 175 Q N 3.097 122.979 119.800 0.137 0.000 2.304 175 Q HA 0.276 4.611 4.340 -0.009 0.000 0.260 175 Q C -0.649 175.395 176.000 0.074 0.000 0.965 175 Q CA 0.110 55.961 55.803 0.080 0.000 0.898 175 Q CB 0.584 29.361 28.738 0.064 0.000 1.196 175 Q HN 0.318 nan 8.270 nan 0.000 0.402 176 M N 3.177 122.816 119.600 0.065 0.000 2.393 176 M HA 0.389 4.863 4.480 -0.009 0.000 0.316 176 M C -1.171 175.126 176.300 -0.006 0.000 1.087 176 M CA -0.679 54.630 55.300 0.015 0.000 0.937 176 M CB 1.802 34.428 32.600 0.043 0.000 1.668 176 M HN 0.617 nan 8.290 nan 0.000 0.438 177 E N 1.765 121.888 120.200 -0.129 0.000 2.191 177 E HA 0.533 4.878 4.350 -0.009 0.000 0.274 177 E C -0.701 175.881 176.600 -0.030 0.000 0.948 177 E CA -0.615 55.669 56.400 -0.194 0.000 0.802 177 E CB 1.719 31.012 29.700 -0.679 0.000 1.137 177 E HN 0.534 nan 8.360 nan 0.000 0.397 178 E N 0.794 121.061 120.200 0.113 0.000 2.331 178 E HA 0.678 5.023 4.350 -0.009 0.000 0.275 178 E C -1.131 175.571 176.600 0.170 0.000 0.895 178 E CA -1.455 55.009 56.400 0.106 0.000 0.753 178 E CB 1.394 31.164 29.700 0.116 0.000 1.216 178 E HN 0.489 nan 8.360 nan 0.000 0.434 179 A N 2.489 125.373 122.820 0.107 0.000 2.584 179 A HA -0.002 4.312 4.320 -0.009 0.000 0.239 179 A C 0.028 177.808 177.584 0.327 0.000 1.043 179 A CA 0.601 52.730 52.037 0.154 0.000 0.756 179 A CB -0.094 18.897 19.000 -0.016 0.000 0.963 179 A HN 0.676 nan 8.150 nan 0.000 0.511 180 D N 1.789 122.450 120.400 0.434 0.000 2.522 180 D HA 0.210 4.844 4.640 -0.009 0.000 0.218 180 D C -0.364 176.245 176.300 0.515 0.000 1.149 180 D CA -0.233 54.007 54.000 0.399 0.000 0.981 180 D CB 0.247 41.216 40.800 0.282 0.000 1.041 180 D HN 0.421 nan 8.370 nan 0.000 0.518 181 D N 3.349 124.014 120.400 0.443 0.000 2.801 181 D HA -0.030 4.605 4.640 -0.009 0.000 0.232 181 D C 1.269 177.681 176.300 0.187 0.000 1.128 181 D CA -0.540 53.608 54.000 0.246 0.000 1.003 181 D CB -0.181 40.780 40.800 0.268 0.000 1.110 181 D HN 0.508 nan 8.370 nan 0.000 0.477 182 W N 1.868 123.185 121.300 0.029 0.000 2.611 182 W HA -0.046 4.609 4.660 -0.008 0.000 0.251 182 W C -0.002 176.563 176.519 0.076 0.000 1.265 182 W CA 0.144 57.536 57.345 0.078 0.000 1.295 182 W CB -0.709 28.803 29.460 0.087 0.000 1.129 182 W HN 0.219 nan 8.180 nan 0.000 0.630 183 L N 0.838 121.691 121.223 -0.616 0.000 2.607 183 L HA 0.174 4.509 4.340 -0.009 0.000 0.228 183 L C 2.744 179.438 176.870 -0.292 0.000 1.123 183 L CA -0.055 54.398 54.840 -0.644 0.000 0.890 183 L CB -0.586 40.982 42.059 -0.818 0.000 1.103 183 L HN -0.107 nan 8.230 nan 0.000 0.468 184 R N 0.756 121.137 120.500 -0.197 0.000 2.133 184 R HA -0.249 4.086 4.340 -0.009 0.000 0.245 184 R C 1.399 177.514 176.300 -0.309 0.000 1.137 184 R CA 2.236 58.185 56.100 -0.252 0.000 0.947 184 R CB -0.264 29.865 30.300 -0.286 0.000 0.865 184 R HN 0.287 nan 8.270 nan 0.000 0.437 185 Y N -0.289 120.021 120.300 0.017 0.000 2.461 185 Y HA 0.310 4.855 4.550 -0.008 0.000 0.277 185 Y C 0.832 176.713 175.900 -0.030 0.000 1.182 185 Y CA 0.499 58.615 58.100 0.026 0.000 1.276 185 Y CB 0.684 39.270 38.460 0.209 0.000 1.087 185 Y HN 0.482 nan 8.280 nan 0.000 0.519 186 G N 1.321 110.152 108.800 0.052 0.000 2.690 186 G HA2 -0.233 3.722 3.960 -0.009 0.000 0.686 186 G HA3 -0.233 3.722 3.960 -0.009 0.000 0.686 186 G C -1.172 173.799 174.900 0.119 0.000 1.277 186 G CA -0.784 44.317 45.100 0.003 0.000 0.799 186 G HN 0.274 nan 8.290 nan 0.000 0.613 187 N N 1.344 120.058 118.700 0.024 0.000 2.524 187 N HA 0.567 5.302 4.740 -0.009 0.000 0.261 187 N C -0.554 174.955 175.510 -0.002 0.000 0.998 187 N CA -1.954 51.131 53.050 0.059 0.000 0.915 187 N CB 2.039 40.500 38.487 -0.044 0.000 1.187 187 N HN 0.260 nan 8.380 nan 0.000 0.507 188 P HA -0.002 nan 4.420 nan 0.000 0.226 188 P C 0.591 177.548 177.300 -0.572 0.000 1.153 188 P CA 0.755 63.529 63.100 -0.542 0.000 0.777 188 P CB 0.117 31.209 31.700 -1.015 0.000 0.794 189 W N 1.959 123.264 121.300 0.009 0.000 2.576 189 W HA 0.049 4.704 4.660 -0.008 0.000 0.270 189 W C 1.325 177.887 176.519 0.071 0.000 1.255 189 W CA -0.303 57.047 57.345 0.009 0.000 1.314 189 W CB -0.290 29.178 29.460 0.015 0.000 1.101 189 W HN 0.019 nan 8.180 nan 0.000 0.595 190 E N 1.684 122.057 120.200 0.289 0.000 2.319 190 E HA 0.344 4.688 4.350 -0.009 0.000 0.268 190 E C -0.629 176.140 176.600 0.282 0.000 1.050 190 E CA -0.759 55.826 56.400 0.309 0.000 0.878 190 E CB 1.358 31.253 29.700 0.325 0.000 1.066 190 E HN -0.331 nan 8.360 nan 0.000 0.406 191 K N 1.564 122.145 120.400 0.302 0.000 2.535 191 K HA 0.420 4.735 4.320 -0.009 0.000 0.253 191 K C -1.226 175.389 176.600 0.025 0.000 0.953 191 K CA -0.488 55.903 56.287 0.173 0.000 0.863 191 K CB 1.557 34.162 32.500 0.175 0.000 1.111 191 K HN 0.671 nan 8.250 nan 0.000 0.431 192 A N 3.994 126.736 122.820 -0.131 0.000 2.462 192 A HA 0.393 4.708 4.320 -0.009 0.000 0.243 192 A C -0.246 177.123 177.584 -0.358 0.000 1.076 192 A CA -0.137 51.568 52.037 -0.554 0.000 0.773 192 A CB 0.244 18.899 19.000 -0.575 0.000 1.010 192 A HN 0.660 nan 8.150 nan 0.000 0.493 193 R N 2.879 123.150 120.500 -0.381 0.000 2.835 193 R HA 0.198 4.533 4.340 -0.009 0.000 0.290 193 R C -2.311 173.807 176.300 -0.303 0.000 1.410 193 R CA -1.707 54.207 56.100 -0.310 0.000 1.590 193 R CB 0.587 30.820 30.300 -0.112 0.000 1.288 193 R HN 0.608 nan 8.270 nan 0.000 0.637 194 P HA -0.214 nan 4.420 nan 0.000 0.218 194 P C 0.843 178.044 177.300 -0.165 0.000 1.146 194 P CA 1.262 64.263 63.100 -0.164 0.000 0.813 194 P CB 0.384 32.000 31.700 -0.140 0.000 0.778 195 E N 0.152 120.143 120.200 -0.349 0.000 2.338 195 E HA -0.139 4.206 4.350 -0.009 0.000 0.197 195 E C 1.125 177.593 176.600 -0.221 0.000 1.007 195 E CA 0.792 56.969 56.400 -0.372 0.000 0.849 195 E CB -1.068 28.270 29.700 -0.602 0.000 0.774 195 E HN 0.407 nan 8.360 nan 0.000 0.506 196 F N 1.865 121.831 119.950 0.026 0.000 2.684 196 F HA 0.220 4.742 4.527 -0.009 0.000 0.298 196 F C 0.505 176.400 175.800 0.159 0.000 1.120 196 F CA -0.710 57.336 58.000 0.077 0.000 1.332 196 F CB 0.547 39.586 39.000 0.066 0.000 0.986 196 F HN -0.278 nan 8.300 nan 0.000 0.524 197 T N 2.871 117.573 114.554 0.248 0.000 2.928 197 T HA 0.206 4.551 4.350 -0.009 0.000 0.305 197 T C -0.225 174.580 174.700 0.176 0.000 1.035 197 T CA 0.307 62.548 62.100 0.234 0.000 1.145 197 T CB 0.832 69.786 68.868 0.143 0.000 0.963 197 T HN -0.111 nan 8.240 nan 0.000 0.545 198 L N 5.668 126.958 121.223 0.112 0.000 2.370 198 L HA 0.576 4.911 4.340 -0.009 0.000 0.266 198 L C -2.172 174.641 176.870 -0.094 0.000 1.002 198 L CA -2.533 52.293 54.840 -0.023 0.000 0.818 198 L CB 1.936 43.908 42.059 -0.144 0.000 1.325 198 L HN 0.389 nan 8.230 nan 0.000 0.418 199 P HA 0.368 nan 4.420 nan 0.000 0.286 199 P C -1.263 175.878 177.300 -0.264 0.000 1.261 199 P CA -0.387 62.612 63.100 -0.168 0.000 0.821 199 P CB 1.913 33.509 31.700 -0.172 0.000 1.013 200 V N 3.708 123.452 119.914 -0.282 0.000 2.588 200 V HA 0.314 4.429 4.120 -0.009 0.000 0.304 200 V C 0.160 176.010 176.094 -0.407 0.000 1.042 200 V CA -0.620 61.501 62.300 -0.297 0.000 0.877 200 V CB 1.485 33.214 31.823 -0.158 0.000 0.996 200 V HN 0.607 nan 8.190 nan 0.000 0.425 201 H N 3.860 122.775 119.070 -0.259 0.000 2.463 201 H HA 0.633 5.184 4.556 -0.009 0.000 0.332 201 H C -1.269 173.766 175.328 -0.488 0.000 1.127 201 H CA -0.137 55.672 56.048 -0.398 0.000 1.238 201 H CB 1.870 31.148 29.762 -0.806 0.000 1.478 201 H HN 0.482 nan 8.280 nan 0.000 0.499 202 F N 0.320 120.297 119.950 0.045 0.000 2.599 202 F HA 0.203 4.725 4.527 -0.009 0.000 0.311 202 F C -0.278 175.594 175.800 0.119 0.000 1.076 202 F CA -0.551 57.470 58.000 0.034 0.000 0.937 202 F CB 1.102 40.022 39.000 -0.133 0.000 1.282 202 F HN 0.540 nan 8.300 nan 0.000 0.460 203 Y N 0.253 120.837 120.300 0.473 0.000 2.896 203 Y HA -0.013 4.532 4.550 -0.008 0.000 0.466 203 Y C 1.353 177.496 175.900 0.406 0.000 1.197 203 Y CA 0.654 58.957 58.100 0.338 0.000 2.513 203 Y CB -1.914 36.672 38.460 0.210 0.000 1.232 203 Y HN 1.303 nan 8.280 nan 0.000 0.632 204 G N 0.697 109.762 108.800 0.442 0.000 2.645 204 G HA2 0.098 4.053 3.960 -0.009 0.000 0.239 204 G HA3 0.098 4.053 3.960 -0.009 0.000 0.239 204 G C -0.555 174.556 174.900 0.353 0.000 1.331 204 G CA 0.857 46.136 45.100 0.299 0.000 0.890 204 G HN 1.345 nan 8.290 nan 0.000 0.572 205 R N -2.517 118.183 120.500 0.334 0.000 2.752 205 R HA 0.706 5.041 4.340 -0.009 0.000 0.271 205 R C -1.338 175.100 176.300 0.231 0.000 1.026 205 R CA -0.992 55.252 56.100 0.240 0.000 0.901 205 R CB 1.383 31.767 30.300 0.140 0.000 1.243 205 R HN 0.866 nan 8.270 nan 0.000 0.463 206 V N 0.967 120.928 119.914 0.078 0.000 2.394 206 V HA 0.335 4.450 4.120 -0.009 0.000 0.282 206 V C -0.134 175.876 176.094 -0.139 0.000 1.031 206 V CA -0.508 61.760 62.300 -0.054 0.000 0.881 206 V CB 1.249 32.967 31.823 -0.176 0.000 0.982 206 V HN 0.689 nan 8.190 nan 0.000 0.451 207 E N 2.948 123.054 120.200 -0.156 0.000 2.166 207 E HA 0.399 4.743 4.350 -0.009 0.000 0.275 207 E C -0.993 175.462 176.600 -0.241 0.000 0.941 207 E CA -0.717 55.605 56.400 -0.128 0.000 0.784 207 E CB 0.936 30.617 29.700 -0.031 0.000 1.115 207 E HN 0.667 nan 8.360 nan 0.000 0.399 208 H N 2.767 121.852 119.070 0.025 0.000 2.661 208 H HA 0.159 4.710 4.556 -0.009 0.000 0.290 208 H C 0.156 175.493 175.328 0.014 0.000 1.082 208 H CA -0.245 55.812 56.048 0.016 0.000 1.234 208 H CB 0.678 30.445 29.762 0.008 0.000 1.387 208 H HN 0.551 nan 8.280 nan 0.000 0.476 209 T N -1.136 113.479 114.554 0.100 0.000 2.880 209 T HA 0.117 4.462 4.350 -0.009 0.000 0.279 209 T C 1.744 176.483 174.700 0.065 0.000 0.990 209 T CA -0.322 61.818 62.100 0.067 0.000 0.938 209 T CB 1.634 70.526 68.868 0.039 0.000 1.206 209 T HN 0.375 nan 8.240 nan 0.000 0.573 210 S N -0.283 115.443 115.700 0.044 0.000 2.351 210 S HA -0.156 4.309 4.470 -0.009 0.000 0.220 210 S C 1.204 175.826 174.600 0.036 0.000 1.035 210 S CA 1.354 59.575 58.200 0.034 0.000 1.031 210 S CB -0.689 62.526 63.200 0.025 0.000 0.928 210 S HN 0.709 nan 8.310 nan 0.000 0.433 211 Q N 0.993 120.813 119.800 0.034 0.000 2.901 211 Q HA 0.562 4.897 4.340 -0.009 0.000 0.265 211 Q C 0.019 176.042 176.000 0.039 0.000 1.263 211 Q CA 0.544 56.367 55.803 0.033 0.000 1.088 211 Q CB 0.325 29.079 28.738 0.027 0.000 1.339 211 Q HN 0.679 nan 8.270 nan 0.000 0.546 212 G N 0.282 109.114 108.800 0.054 0.000 2.663 212 G HA2 0.149 4.103 3.960 -0.009 0.000 0.686 212 G HA3 0.149 4.103 3.960 -0.009 0.000 0.686 212 G C -0.952 173.989 174.900 0.069 0.000 1.288 212 G CA -0.687 44.450 45.100 0.062 0.000 0.836 212 G HN 0.621 nan 8.290 nan 0.000 0.584 213 A N 0.533 123.389 122.820 0.060 0.000 2.304 213 A HA 0.835 5.149 4.320 -0.009 0.000 0.301 213 A C 0.348 177.904 177.584 -0.048 0.000 1.132 213 A CA -0.120 51.899 52.037 -0.029 0.000 0.819 213 A CB 0.911 19.878 19.000 -0.056 0.000 1.094 213 A HN 0.783 nan 8.150 nan 0.000 0.492 214 K N 0.804 121.159 120.400 -0.074 0.000 2.378 214 K HA 0.254 4.569 4.320 -0.009 0.000 0.252 214 K C -1.770 174.866 176.600 0.060 0.000 0.931 214 K CA -0.395 55.888 56.287 -0.006 0.000 0.794 214 K CB 2.247 34.744 32.500 -0.005 0.000 1.181 214 K HN 0.711 nan 8.250 nan 0.000 0.425 215 W N 5.181 126.400 121.300 -0.136 0.000 2.308 215 W HA 0.355 5.010 4.660 -0.009 0.000 0.311 215 W C -0.712 175.738 176.519 -0.116 0.000 1.088 215 W CA -0.806 56.462 57.345 -0.128 0.000 1.309 215 W CB 0.189 29.561 29.460 -0.146 0.000 1.229 215 W HN 0.349 nan 8.180 nan 0.000 0.427 216 V N 2.642 122.601 119.914 0.075 0.000 3.155 216 V HA 0.610 4.725 4.120 -0.009 0.000 0.313 216 V C -0.091 175.968 176.094 -0.057 0.000 1.162 216 V CA -0.922 61.341 62.300 -0.062 0.000 1.048 216 V CB 1.901 33.720 31.823 -0.008 0.000 1.092 216 V HN 0.455 nan 8.190 nan 0.000 0.447 217 D N 0.233 120.603 120.400 -0.050 0.000 2.772 217 D HA -0.142 4.493 4.640 -0.009 0.000 0.233 217 D C 0.548 176.844 176.300 -0.006 0.000 1.143 217 D CA 1.491 55.486 54.000 -0.007 0.000 0.700 217 D CB -1.683 39.136 40.800 0.033 0.000 1.076 217 D HN 1.292 nan 8.370 nan 0.000 0.430 218 T N -3.130 111.368 114.554 -0.093 0.000 2.899 218 T HA 0.388 4.733 4.350 -0.009 0.000 0.284 218 T C 0.287 175.028 174.700 0.069 0.000 1.004 218 T CA -0.787 61.270 62.100 -0.072 0.000 1.043 218 T CB 2.579 71.216 68.868 -0.385 0.000 1.013 218 T HN 0.147 nan 8.240 nan 0.000 0.518 219 Q N 0.870 120.778 119.800 0.180 0.000 2.243 219 Q HA 0.513 4.848 4.340 -0.009 0.000 0.252 219 Q C -1.373 174.722 176.000 0.159 0.000 0.909 219 Q CA -0.774 55.150 55.803 0.202 0.000 0.922 219 Q CB 1.131 30.081 28.738 0.353 0.000 1.215 219 Q HN 0.634 nan 8.270 nan 0.000 0.427 220 V N 4.276 124.232 119.914 0.070 0.000 2.435 220 V HA 0.451 4.566 4.120 -0.009 0.000 0.290 220 V C -0.436 175.695 176.094 0.062 0.000 1.030 220 V CA -0.649 61.627 62.300 -0.041 0.000 0.881 220 V CB 1.716 33.464 31.823 -0.125 0.000 0.983 220 V HN 0.573 nan 8.190 nan 0.000 0.445 221 V N 5.912 125.892 119.914 0.110 0.000 2.588 221 V HA 0.474 4.589 4.120 -0.009 0.000 0.304 221 V C -0.191 176.006 176.094 0.171 0.000 1.042 221 V CA -0.590 61.821 62.300 0.184 0.000 0.877 221 V CB 1.963 33.979 31.823 0.322 0.000 0.996 221 V HN 0.647 nan 8.190 nan 0.000 0.425 222 L N 3.675 124.996 121.223 0.164 0.000 2.350 222 L HA 0.730 5.065 4.340 -0.009 0.000 0.275 222 L C 0.477 177.531 176.870 0.308 0.000 1.099 222 L CA -0.304 54.632 54.840 0.160 0.000 0.808 222 L CB 1.309 43.443 42.059 0.125 0.000 1.149 222 L HN 0.750 nan 8.230 nan 0.000 0.442 223 A N 5.058 128.000 122.820 0.203 0.000 2.267 223 A HA 0.581 4.896 4.320 -0.009 0.000 0.315 223 A C -0.498 177.351 177.584 0.442 0.000 1.297 223 A CA -0.474 51.713 52.037 0.250 0.000 0.865 223 A CB 0.949 19.621 19.000 -0.546 0.000 1.165 223 A HN 0.784 nan 8.150 nan 0.000 0.513 224 M N 6.219 126.150 119.600 0.551 0.000 2.129 224 M HA 0.446 4.921 4.480 -0.009 0.000 0.348 224 M C -2.584 174.005 176.300 0.483 0.000 1.116 224 M CA -2.134 53.433 55.300 0.445 0.000 1.022 224 M CB 2.078 34.859 32.600 0.301 0.000 1.599 224 M HN 0.385 nan 8.290 nan 0.000 0.449 225 P HA 0.247 nan 4.420 nan 0.000 0.286 225 P C -1.956 175.287 177.300 -0.096 0.000 1.261 225 P CA -0.124 62.909 63.100 -0.112 0.000 0.821 225 P CB 0.734 32.138 31.700 -0.492 0.000 1.013 226 Y N 0.566 120.814 120.300 -0.087 0.000 2.338 226 Y HA 0.308 4.853 4.550 -0.009 0.000 0.333 226 Y C 0.158 176.057 175.900 -0.002 0.000 0.968 226 Y CA -0.276 57.827 58.100 0.006 0.000 1.123 226 Y CB 1.412 39.906 38.460 0.057 0.000 1.165 226 Y HN 0.215 nan 8.280 nan 0.000 0.452 227 D N 1.990 122.504 120.400 0.190 0.000 2.193 227 D HA 0.411 5.046 4.640 -0.009 0.000 0.244 227 D C -0.583 175.961 176.300 0.407 0.000 1.064 227 D CA -0.198 53.959 54.000 0.263 0.000 0.845 227 D CB 1.772 42.751 40.800 0.298 0.000 1.148 227 D HN 0.364 nan 8.370 nan 0.000 0.464 228 T N 3.185 117.890 114.554 0.251 0.000 2.824 228 T HA 0.461 4.806 4.350 -0.009 0.000 0.282 228 T C -2.527 172.045 174.700 -0.214 0.000 0.993 228 T CA -1.453 60.697 62.100 0.084 0.000 0.967 228 T CB 2.079 70.983 68.868 0.059 0.000 0.960 228 T HN 0.181 nan 8.240 nan 0.000 0.441 229 P HA 0.299 nan 4.420 nan 0.000 0.275 229 P C -1.004 175.974 177.300 -0.537 0.000 1.227 229 P CA -0.370 62.065 63.100 -1.109 0.000 0.781 229 P CB 0.874 31.662 31.700 -1.519 0.000 0.906 230 V N 5.526 125.186 119.914 -0.425 0.000 2.305 230 V HA 0.256 4.371 4.120 -0.009 0.000 0.275 230 V C -1.991 173.974 176.094 -0.215 0.000 1.020 230 V CA -1.907 60.238 62.300 -0.259 0.000 0.811 230 V CB 1.354 33.072 31.823 -0.175 0.000 1.031 230 V HN 0.556 nan 8.190 nan 0.000 0.439 231 P HA 0.266 nan 4.420 nan 0.000 0.280 231 P C 0.349 177.602 177.300 -0.079 0.000 1.244 231 P CA 0.302 63.317 63.100 -0.141 0.000 0.784 231 P CB 1.756 33.369 31.700 -0.146 0.000 0.913 232 G N 2.313 111.085 108.800 -0.047 0.000 2.599 232 G HA2 0.133 4.088 3.960 -0.009 0.000 0.264 232 G HA3 0.133 4.088 3.960 -0.009 0.000 0.264 232 G C -1.179 173.737 174.900 0.027 0.000 1.200 232 G CA -0.608 44.494 45.100 0.002 0.000 0.896 232 G HN 0.528 nan 8.290 nan 0.000 0.536 233 Y N 0.921 121.185 120.300 -0.059 0.000 2.624 233 Y HA 0.249 4.794 4.550 -0.009 0.000 0.354 233 Y C 1.352 177.217 175.900 -0.058 0.000 1.051 233 Y CA -0.230 57.831 58.100 -0.066 0.000 1.377 233 Y CB -0.075 38.344 38.460 -0.069 0.000 1.168 233 Y HN 0.708 nan 8.280 nan 0.000 0.525 234 R N 3.245 123.444 120.500 -0.502 0.000 3.502 234 R HA -0.324 4.011 4.340 -0.009 0.000 0.266 234 R C -0.030 176.136 176.300 -0.224 0.000 1.077 234 R CA 1.344 57.179 56.100 -0.441 0.000 0.718 234 R CB -2.087 27.786 30.300 -0.711 0.000 1.120 234 R HN 0.949 nan 8.270 nan 0.000 0.457 235 N N -0.798 117.824 118.700 -0.129 0.000 2.170 235 N HA 0.055 4.790 4.740 -0.009 0.000 0.222 235 N C -0.101 175.369 175.510 -0.067 0.000 1.218 235 N CA -0.562 52.445 53.050 -0.073 0.000 0.889 235 N CB 0.504 38.975 38.487 -0.026 0.000 1.083 235 N HN 0.086 nan 8.380 nan 0.000 0.520 236 N N -0.188 118.466 118.700 -0.077 0.000 2.778 236 N HA -0.137 4.598 4.740 -0.009 0.000 0.249 236 N C -0.886 174.591 175.510 -0.054 0.000 1.069 236 N CA 0.602 53.615 53.050 -0.062 0.000 0.831 236 N CB -1.223 37.227 38.487 -0.062 0.000 1.142 236 N HN 0.196 nan 8.380 nan 0.000 0.573 237 V N 1.152 121.039 119.914 -0.045 0.000 2.509 237 V HA 0.444 4.559 4.120 -0.009 0.000 0.284 237 V C 0.590 176.665 176.094 -0.032 0.000 1.047 237 V CA -0.438 61.845 62.300 -0.028 0.000 0.952 237 V CB 2.160 33.992 31.823 0.015 0.000 0.988 237 V HN -0.041 nan 8.190 nan 0.000 0.469 238 V N 5.388 125.290 119.914 -0.020 0.000 2.445 238 V HA 0.415 4.530 4.120 -0.009 0.000 0.283 238 V C -0.122 175.974 176.094 0.003 0.000 1.014 238 V CA -0.873 61.385 62.300 -0.069 0.000 0.852 238 V CB 1.445 33.206 31.823 -0.105 0.000 1.021 238 V HN 0.848 nan 8.190 nan 0.000 0.435 239 N N 1.922 120.598 118.700 -0.040 0.000 2.418 239 N HA 0.560 5.295 4.740 -0.009 0.000 0.283 239 N C -0.016 175.494 175.510 0.000 0.000 1.267 239 N CA -0.261 52.788 53.050 -0.001 0.000 0.975 239 N CB 1.140 39.577 38.487 -0.083 0.000 1.167 239 N HN 0.566 nan 8.380 nan 0.000 0.581 240 T N 0.715 115.280 114.554 0.019 0.000 2.841 240 T HA 0.422 4.767 4.350 -0.009 0.000 0.283 240 T C -0.281 174.404 174.700 -0.024 0.000 1.000 240 T CA -0.522 61.660 62.100 0.137 0.000 0.977 240 T CB 1.199 70.281 68.868 0.358 0.000 0.979 240 T HN 0.319 nan 8.240 nan 0.000 0.446 241 M N 3.680 123.233 119.600 -0.079 0.000 2.072 241 M HA 0.501 4.976 4.480 -0.009 0.000 0.331 241 M C -0.534 175.632 176.300 -0.223 0.000 1.004 241 M CA -0.748 54.407 55.300 -0.241 0.000 0.952 241 M CB 0.728 33.130 32.600 -0.329 0.000 1.511 241 M HN 0.482 nan 8.290 nan 0.000 0.422 242 R N 4.675 124.935 120.500 -0.399 0.000 2.229 242 R HA 0.552 4.887 4.340 -0.009 0.000 0.332 242 R C -1.937 174.106 176.300 -0.429 0.000 0.989 242 R CA -0.565 55.262 56.100 -0.456 0.000 0.842 242 R CB 0.868 30.725 30.300 -0.738 0.000 1.119 242 R HN 0.649 nan 8.270 nan 0.000 0.456 243 L N 5.627 126.702 121.223 -0.246 0.000 2.313 243 L HA 0.460 4.795 4.340 -0.009 0.000 0.283 243 L C -1.046 175.808 176.870 -0.026 0.000 1.013 243 L CA -0.470 54.324 54.840 -0.078 0.000 0.816 243 L CB 1.188 43.281 42.059 0.057 0.000 1.236 243 L HN 0.624 nan 8.230 nan 0.000 0.419 244 W N 2.311 123.744 121.300 0.222 0.000 2.315 244 W HA 0.596 5.251 4.660 -0.008 0.000 0.316 244 W C 0.556 177.309 176.519 0.389 0.000 1.211 244 W CA -0.283 57.215 57.345 0.256 0.000 1.201 244 W CB 1.438 30.913 29.460 0.024 0.000 1.184 244 W HN 0.436 nan 8.180 nan 0.000 0.544 245 S N 1.882 118.005 115.700 0.705 0.000 2.482 245 S HA 0.767 5.232 4.470 -0.009 0.000 0.303 245 S C -0.427 174.526 174.600 0.587 0.000 1.091 245 S CA -0.724 57.793 58.200 0.528 0.000 1.057 245 S CB 0.623 64.079 63.200 0.427 0.000 1.031 245 S HN 0.534 nan 8.310 nan 0.000 0.485 246 A N 4.819 127.830 122.820 0.319 0.000 2.366 246 A HA 0.648 4.963 4.320 -0.009 0.000 0.272 246 A C -0.086 177.595 177.584 0.162 0.000 1.135 246 A CA -0.224 51.898 52.037 0.143 0.000 0.804 246 A CB 0.330 19.144 19.000 -0.310 0.000 1.064 246 A HN 0.657 nan 8.150 nan 0.000 0.499 247 K N 0.967 121.480 120.400 0.188 0.000 2.468 247 K HA 0.613 4.928 4.320 -0.009 0.000 0.252 247 K C -0.616 176.048 176.600 0.108 0.000 0.932 247 K CA -0.403 55.969 56.287 0.140 0.000 0.794 247 K CB 2.269 34.866 32.500 0.161 0.000 1.241 247 K HN 0.842 nan 8.250 nan 0.000 0.428 248 A N 4.106 126.970 122.820 0.073 0.000 2.340 248 A HA 0.538 4.853 4.320 -0.009 0.000 0.268 248 A C -2.124 175.492 177.584 0.053 0.000 1.100 248 A CA -1.137 50.935 52.037 0.057 0.000 0.803 248 A CB -0.139 18.883 19.000 0.036 0.000 1.043 248 A HN 0.381 nan 8.150 nan 0.000 0.488 249 P HA 0.113 nan 4.420 nan 0.000 0.274 249 P C -0.034 177.286 177.300 0.034 0.000 1.237 249 P CA -0.443 62.680 63.100 0.039 0.000 0.793 249 P CB 0.642 32.359 31.700 0.030 0.000 0.977 250 N N 0.291 119.012 118.700 0.034 0.000 2.453 250 N HA -0.068 4.667 4.740 -0.009 0.000 0.183 250 N C 0.692 176.225 175.510 0.037 0.000 1.041 250 N CA 0.941 54.012 53.050 0.035 0.000 0.900 250 N CB -0.220 38.289 38.487 0.036 0.000 0.961 250 N HN 0.626 nan 8.380 nan 0.000 0.443 262 Y N 1.666 121.968 120.300 0.003 0.000 2.081 262 Y HA -0.141 4.404 4.550 -0.008 0.000 0.280 262 Y C 2.761 178.663 175.900 0.004 0.000 1.163 262 Y CA 2.493 60.595 58.100 0.004 0.000 1.135 262 Y CB -0.176 38.286 38.460 0.003 0.000 0.970 262 Y HN 0.208 nan 8.280 nan 0.000 0.498 263 I N 0.439 120.927 120.570 -0.138 0.000 2.127 263 I HA -0.328 3.837 4.170 -0.009 0.000 0.241 263 I C 2.430 178.428 176.117 -0.197 0.000 1.075 263 I CA 1.584 62.751 61.300 -0.222 0.000 1.334 263 I CB -1.481 36.501 38.000 -0.029 0.000 1.040 263 I HN 0.384 nan 8.210 nan 0.000 0.405 264 Q N 0.503 120.241 119.800 -0.103 0.000 2.096 264 Q HA -0.159 4.176 4.340 -0.009 0.000 0.204 264 Q C 2.382 178.324 176.000 -0.097 0.000 0.982 264 Q CA 1.986 57.743 55.803 -0.077 0.000 0.850 264 Q CB -0.387 28.328 28.738 -0.038 0.000 0.901 264 Q HN 0.564 nan 8.270 nan 0.000 0.422 265 A N -0.022 122.727 122.820 -0.117 0.000 1.908 265 A HA -0.147 4.168 4.320 -0.009 0.000 0.218 265 A C 2.417 179.919 177.584 -0.138 0.000 1.181 265 A CA 1.719 53.693 52.037 -0.104 0.000 0.627 265 A CB -0.693 18.258 19.000 -0.082 0.000 0.818 265 A HN 0.231 nan 8.150 nan 0.000 0.445 266 V N 0.225 119.991 119.914 -0.247 0.000 2.295 266 V HA -0.244 3.870 4.120 -0.009 0.000 0.246 266 V C 2.540 178.560 176.094 -0.124 0.000 1.049 266 V CA 1.903 64.073 62.300 -0.217 0.000 1.024 266 V CB -0.770 30.845 31.823 -0.346 0.000 0.648 266 V HN 0.573 nan 8.190 nan 0.000 0.447 267 L N -0.207 120.946 121.223 -0.116 0.000 2.131 267 L HA -0.151 4.183 4.340 -0.009 0.000 0.210 267 L C 2.036 178.878 176.870 -0.046 0.000 1.092 267 L CA 1.285 56.084 54.840 -0.067 0.000 0.759 267 L CB -0.732 41.292 42.059 -0.058 0.000 0.903 267 L HN 0.343 nan 8.230 nan 0.000 0.435 268 D N 0.077 120.447 120.400 -0.050 0.000 2.378 268 D HA -0.078 4.557 4.640 -0.009 0.000 0.227 268 D C 2.111 178.397 176.300 -0.024 0.000 1.012 268 D CA 0.450 54.430 54.000 -0.033 0.000 0.905 268 D CB -0.014 40.766 40.800 -0.032 0.000 0.895 268 D HN 0.272 nan 8.370 nan 0.000 0.532 269 R N 0.503 120.988 120.500 -0.026 0.000 2.152 269 R HA -0.043 4.292 4.340 -0.009 0.000 0.232 269 R C 1.644 177.943 176.300 -0.001 0.000 1.117 269 R CA 0.586 56.680 56.100 -0.011 0.000 0.981 269 R CB -0.049 30.245 30.300 -0.010 0.000 0.870 269 R HN 0.163 nan 8.270 nan 0.000 0.451 270 N N 0.604 119.302 118.700 -0.003 0.000 2.289 270 N HA -0.135 4.600 4.740 -0.009 0.000 0.184 270 N C 1.515 177.026 175.510 0.001 0.000 1.016 270 N CA 0.947 54.001 53.050 0.006 0.000 0.872 270 N CB -0.032 38.460 38.487 0.008 0.000 0.973 270 N HN 0.094 nan 8.380 nan 0.000 0.433 271 L N 1.183 122.402 121.223 -0.007 0.000 2.042 271 L HA -0.107 4.228 4.340 -0.009 0.000 0.210 271 L C 2.416 179.271 176.870 -0.024 0.000 1.076 271 L CA 1.396 56.228 54.840 -0.012 0.000 0.749 271 L CB -1.067 40.984 42.059 -0.013 0.000 0.893 271 L HN 0.103 nan 8.230 nan 0.000 0.432 272 A N -0.879 121.929 122.820 -0.019 0.000 1.929 272 A HA -0.138 4.177 4.320 -0.009 0.000 0.216 272 A C 2.113 179.664 177.584 -0.055 0.000 1.176 272 A CA 1.166 53.182 52.037 -0.034 0.000 0.628 272 A CB -0.408 18.595 19.000 0.006 0.000 0.816 272 A HN 0.521 nan 8.150 nan 0.000 0.444 273 E N 0.223 120.411 120.200 -0.020 0.000 2.427 273 E HA -0.084 4.261 4.350 -0.009 0.000 0.196 273 E C 0.920 177.514 176.600 -0.010 0.000 1.028 273 E CA 0.243 56.637 56.400 -0.011 0.000 0.864 273 E CB -0.185 29.533 29.700 0.030 0.000 0.813 273 E HN 0.452 nan 8.360 nan 0.000 0.514 274 N N 1.163 119.857 118.700 -0.010 0.000 2.443 274 N HA -0.088 4.647 4.740 -0.009 0.000 0.184 274 N C 1.655 177.171 175.510 0.011 0.000 1.037 274 N CA 0.595 53.656 53.050 0.019 0.000 0.896 274 N CB -0.060 38.435 38.487 0.014 0.000 0.959 274 N HN 0.276 nan 8.380 nan 0.000 0.442 275 I N 0.403 120.922 120.570 -0.085 0.000 2.194 275 I HA -0.255 3.910 4.170 -0.009 0.000 0.246 275 I C 1.394 177.489 176.117 -0.037 0.000 1.093 275 I CA 1.290 62.505 61.300 -0.140 0.000 1.355 275 I CB -0.206 37.533 38.000 -0.435 0.000 1.046 275 I HN 0.130 nan 8.210 nan 0.000 0.413 276 S N -0.576 115.106 115.700 -0.030 0.000 2.574 276 S HA 0.201 4.666 4.470 -0.009 0.000 0.242 276 S C 1.434 176.185 174.600 0.251 0.000 0.982 276 S CA -0.573 57.698 58.200 0.119 0.000 0.977 276 S CB 0.291 63.548 63.200 0.096 0.000 0.814 276 S HN 0.211 nan 8.310 nan 0.000 0.464 277 R N 1.243 121.889 120.500 0.244 0.000 2.073 277 R HA 0.281 4.616 4.340 -0.009 0.000 0.229 277 R C 0.397 176.962 176.300 0.441 0.000 1.120 277 R CA 1.114 57.402 56.100 0.313 0.000 0.967 277 R CB -0.196 30.244 30.300 0.234 0.000 0.862 277 R HN 0.394 nan 8.270 nan 0.000 0.436 278 V N 0.265 120.389 119.914 0.351 0.000 2.932 278 V HA 0.365 4.480 4.120 -0.009 0.000 0.307 278 V C -1.634 174.441 176.094 -0.032 0.000 1.147 278 V CA -1.375 61.057 62.300 0.222 0.000 0.951 278 V CB 1.813 33.682 31.823 0.076 0.000 1.031 278 V HN 0.149 nan 8.190 nan 0.000 0.426 279 L N 6.475 127.456 121.223 -0.402 0.000 2.367 279 L HA 0.490 4.824 4.340 -0.009 0.000 0.275 279 L C -0.886 175.825 176.870 -0.265 0.000 1.129 279 L CA 0.403 54.777 54.840 -0.778 0.000 0.839 279 L CB 0.556 42.081 42.059 -0.889 0.000 1.133 279 L HN 0.678 nan 8.230 nan 0.000 0.453 280 Y N 7.008 127.215 120.300 -0.155 0.000 2.569 280 Y HA 0.192 4.737 4.550 -0.009 0.000 0.332 280 Y C -1.308 174.585 175.900 -0.011 0.000 1.120 280 Y CA -1.267 56.821 58.100 -0.020 0.000 1.416 280 Y CB 0.381 38.856 38.460 0.026 0.000 1.210 280 Y HN 0.580 nan 8.280 nan 0.000 0.528 281 P HA -0.045 nan 4.420 nan 0.000 0.258 281 P C -0.806 176.627 177.300 0.222 0.000 1.403 281 P CA 0.341 63.547 63.100 0.177 0.000 0.826 281 P CB 0.146 32.047 31.700 0.335 0.000 1.414 282 N N 1.360 120.204 118.700 0.239 0.000 2.438 282 N HA 0.189 4.924 4.740 -0.009 0.000 0.282 282 N C -0.721 174.936 175.510 0.244 0.000 1.037 282 N CA 0.088 53.303 53.050 0.275 0.000 0.942 282 N CB 1.130 39.829 38.487 0.354 0.000 1.136 282 N HN 0.023 nan 8.380 nan 0.000 0.481 283 D N 0.839 121.403 120.400 0.273 0.000 2.408 283 D HA 0.248 4.883 4.640 -0.009 0.000 0.243 283 D C -0.199 176.297 176.300 0.327 0.000 1.075 283 D CA -0.287 53.865 54.000 0.253 0.000 0.832 283 D CB 0.326 41.259 40.800 0.223 0.000 1.162 283 D HN 0.333 nan 8.370 nan 0.000 0.515 284 N N 2.748 121.618 118.700 0.283 0.000 2.754 284 N HA -0.235 4.499 4.740 -0.009 0.000 0.248 284 N C -1.365 174.379 175.510 0.389 0.000 1.093 284 N CA 0.616 53.832 53.050 0.278 0.000 0.699 284 N CB -0.949 37.689 38.487 0.252 0.000 1.016 284 N HN 0.402 nan 8.380 nan 0.000 0.552 285 F N 0.654 120.712 119.950 0.179 0.000 2.604 285 F HA 0.443 4.965 4.527 -0.009 0.000 0.316 285 F C -1.194 174.696 175.800 0.150 0.000 1.136 285 F CA -1.076 57.009 58.000 0.141 0.000 0.989 285 F CB 0.888 39.933 39.000 0.075 0.000 1.258 285 F HN -0.027 nan 8.300 nan 0.000 0.451 286 F N 5.862 125.356 119.950 -0.759 0.000 2.411 286 F HA 0.474 4.996 4.527 -0.009 0.000 0.350 286 F C -0.468 174.867 175.800 -0.775 0.000 1.114 286 F CA -0.154 57.472 58.000 -0.624 0.000 1.135 286 F CB 0.756 39.442 39.000 -0.522 0.000 1.120 286 F HN 0.602 nan 8.300 nan 0.000 0.495 287 E N 4.329 123.879 120.200 -1.083 0.000 2.220 287 E HA 0.301 4.645 4.350 -0.009 0.000 0.256 287 E C -0.276 175.594 176.600 -1.217 0.000 0.881 287 E CA -0.782 55.093 56.400 -0.876 0.000 0.766 287 E CB 1.339 30.907 29.700 -0.220 0.000 1.187 287 E HN 0.908 nan 8.360 nan 0.000 0.419 288 G N 5.298 113.303 108.800 -1.326 0.000 3.102 288 G HA2 0.031 3.985 3.960 -0.009 0.000 0.264 288 G HA3 0.031 3.985 3.960 -0.009 0.000 0.264 288 G C -0.097 174.747 174.900 -0.094 0.000 0.788 288 G CA -0.156 44.409 45.100 -0.893 0.000 2.029 288 G HN 0.190 nan 8.290 nan 0.000 0.608 289 K N 0.575 120.986 120.400 0.018 0.000 2.138 289 K HA 0.194 4.509 4.320 -0.009 0.000 0.263 289 K C 0.943 177.682 176.600 0.231 0.000 0.965 289 K CA -0.680 55.693 56.287 0.144 0.000 0.868 289 K CB 2.275 34.862 32.500 0.144 0.000 1.083 289 K HN 0.443 nan 8.250 nan 0.000 0.443 290 E N 1.746 122.048 120.200 0.170 0.000 2.097 290 E HA -0.226 4.119 4.350 -0.009 0.000 0.196 290 E C 1.514 178.138 176.600 0.040 0.000 1.000 290 E CA 1.126 57.572 56.400 0.078 0.000 0.804 290 E CB 0.173 29.922 29.700 0.082 0.000 0.740 290 E HN 0.399 nan 8.360 nan 0.000 0.454 291 L N 1.307 122.601 121.223 0.119 0.000 2.042 291 L HA -0.187 4.148 4.340 -0.009 0.000 0.210 291 L C 2.449 179.414 176.870 0.157 0.000 1.076 291 L CA 1.864 56.794 54.840 0.150 0.000 0.749 291 L CB -0.549 41.674 42.059 0.274 0.000 0.893 291 L HN 0.013 nan 8.230 nan 0.000 0.432 292 R N -0.615 119.924 120.500 0.065 0.000 2.081 292 R HA -0.159 4.176 4.340 -0.009 0.000 0.235 292 R C 2.114 178.444 176.300 0.050 0.000 1.131 292 R CA 1.867 57.922 56.100 -0.074 0.000 0.960 292 R CB -1.004 29.056 30.300 -0.399 0.000 0.856 292 R HN 0.418 nan 8.270 nan 0.000 0.436 293 L N 0.819 121.975 121.223 -0.113 0.000 2.093 293 L HA -0.053 4.281 4.340 -0.009 0.000 0.208 293 L C 1.696 178.500 176.870 -0.110 0.000 1.085 293 L CA 1.883 56.451 54.840 -0.454 0.000 0.755 293 L CB -0.377 41.105 42.059 -0.963 0.000 0.904 293 L HN 0.147 nan 8.230 nan 0.000 0.435 294 K N -0.968 119.420 120.400 -0.021 0.000 2.097 294 K HA -0.185 4.130 4.320 -0.009 0.000 0.206 294 K C 2.076 178.842 176.600 0.276 0.000 1.049 294 K CA 1.726 58.081 56.287 0.114 0.000 0.933 294 K CB -0.159 32.223 32.500 -0.196 0.000 0.717 294 K HN 0.519 nan 8.250 nan 0.000 0.442 295 Q N 0.602 120.527 119.800 0.209 0.000 2.084 295 Q HA -0.177 4.158 4.340 -0.009 0.000 0.202 295 Q C 1.915 178.112 176.000 0.328 0.000 0.978 295 Q CA 1.354 57.337 55.803 0.300 0.000 0.844 295 Q CB -0.009 28.926 28.738 0.329 0.000 0.898 295 Q HN 0.380 nan 8.270 nan 0.000 0.426 296 E N -0.116 120.229 120.200 0.242 0.000 2.077 296 E HA -0.211 4.134 4.350 -0.009 0.000 0.193 296 E C 1.718 178.429 176.600 0.184 0.000 0.989 296 E CA 1.041 57.567 56.400 0.210 0.000 0.800 296 E CB -0.118 29.685 29.700 0.172 0.000 0.746 296 E HN 0.321 nan 8.360 nan 0.000 0.452 297 Y N 0.304 120.646 120.300 0.070 0.000 2.263 297 Y HA -0.189 4.356 4.550 -0.008 0.000 0.292 297 Y C 1.936 177.859 175.900 0.038 0.000 1.130 297 Y CA 0.898 58.988 58.100 -0.018 0.000 1.179 297 Y CB -0.341 38.065 38.460 -0.090 0.000 0.998 297 Y HN 0.007 nan 8.280 nan 0.000 0.532 298 F N -0.229 119.704 119.950 -0.028 0.000 2.065 298 F HA -0.258 4.264 4.527 -0.009 0.000 0.298 298 F C 2.519 178.166 175.800 -0.254 0.000 1.112 298 F CA 2.075 60.015 58.000 -0.099 0.000 1.212 298 F CB -1.124 37.971 39.000 0.159 0.000 0.975 298 F HN -0.061 nan 8.300 nan 0.000 0.476 299 V N -0.472 119.395 119.914 -0.078 0.000 2.427 299 V HA -0.200 3.915 4.120 -0.009 0.000 0.248 299 V C 2.172 178.124 176.094 -0.237 0.000 1.051 299 V CA 1.930 64.161 62.300 -0.116 0.000 1.048 299 V CB -0.396 31.553 31.823 0.211 0.000 0.666 299 V HN 0.262 nan 8.190 nan 0.000 0.456 300 V N 0.387 120.159 119.914 -0.236 0.000 2.307 300 V HA -0.149 3.966 4.120 -0.009 0.000 0.245 300 V C 2.811 178.641 176.094 -0.439 0.000 1.045 300 V CA 2.064 64.209 62.300 -0.259 0.000 1.024 300 V CB -1.043 30.688 31.823 -0.155 0.000 0.651 300 V HN 0.642 nan 8.190 nan 0.000 0.449 301 A N -0.090 122.291 122.820 -0.733 0.000 1.877 301 A HA -0.116 4.199 4.320 -0.009 0.000 0.216 301 A C 2.405 179.612 177.584 -0.629 0.000 1.186 301 A CA 2.162 53.764 52.037 -0.725 0.000 0.620 301 A CB -0.839 17.512 19.000 -1.080 0.000 0.822 301 A HN 0.560 nan 8.150 nan 0.000 0.443 302 A N -1.065 121.219 122.820 -0.895 0.000 1.873 302 A HA -0.067 4.248 4.320 -0.009 0.000 0.215 302 A C 2.320 179.425 177.584 -0.799 0.000 1.186 302 A CA 2.296 53.621 52.037 -1.187 0.000 0.616 302 A CB -1.320 16.277 19.000 -2.337 0.000 0.823 302 A HN 0.430 nan 8.150 nan 0.000 0.442 303 T N 0.572 114.794 114.554 -0.554 0.000 2.684 303 T HA -0.116 4.228 4.350 -0.009 0.000 0.267 303 T C 1.831 176.261 174.700 -0.449 0.000 1.036 303 T CA 1.512 63.392 62.100 -0.367 0.000 1.148 303 T CB -0.418 68.235 68.868 -0.357 0.000 0.863 303 T HN 0.342 nan 8.240 nan 0.000 0.436 304 L N 0.686 121.693 121.223 -0.360 0.000 2.083 304 L HA -0.167 4.167 4.340 -0.009 0.000 0.209 304 L C 2.931 179.679 176.870 -0.203 0.000 1.083 304 L CA 1.416 56.094 54.840 -0.270 0.000 0.752 304 L CB -0.540 41.399 42.059 -0.199 0.000 0.899 304 L HN 0.368 nan 8.230 nan 0.000 0.433 305 Q N -0.582 119.096 119.800 -0.203 0.000 2.084 305 Q HA -0.246 4.089 4.340 -0.009 0.000 0.202 305 Q C 1.782 177.739 176.000 -0.072 0.000 0.978 305 Q CA 1.692 57.424 55.803 -0.119 0.000 0.844 305 Q CB -0.103 28.552 28.738 -0.140 0.000 0.898 305 Q HN 0.394 nan 8.270 nan 0.000 0.426 306 D N 0.552 120.903 120.400 -0.082 0.000 2.117 306 D HA -0.102 4.533 4.640 -0.009 0.000 0.197 306 D C 1.665 177.902 176.300 -0.105 0.000 0.987 306 D CA 0.858 54.858 54.000 -0.001 0.000 0.829 306 D CB -0.018 40.900 40.800 0.197 0.000 0.961 306 D HN 0.159 nan 8.370 nan 0.000 0.460 307 I N 0.183 120.585 120.570 -0.279 0.000 2.142 307 I HA -0.243 3.922 4.170 -0.009 0.000 0.240 307 I C 2.344 178.462 176.117 0.002 0.000 1.078 307 I CA 0.771 61.849 61.300 -0.370 0.000 1.343 307 I CB -0.153 37.485 38.000 -0.603 0.000 1.046 307 I HN 0.055 nan 8.210 nan 0.000 0.405 308 I N 0.283 120.914 120.570 0.102 0.000 2.226 308 I HA -0.306 3.859 4.170 -0.009 0.000 0.245 308 I C 2.781 179.061 176.117 0.272 0.000 1.100 308 I CA 1.227 62.712 61.300 0.309 0.000 1.374 308 I CB -0.453 37.674 38.000 0.212 0.000 1.057 308 I HN 0.223 nan 8.210 nan 0.000 0.413 309 R N 1.352 121.929 120.500 0.128 0.000 2.083 309 R HA -0.231 4.104 4.340 -0.009 0.000 0.237 309 R C 2.510 178.859 176.300 0.083 0.000 1.137 309 R CA 1.820 57.972 56.100 0.087 0.000 0.951 309 R CB -0.297 30.022 30.300 0.032 0.000 0.851 309 R HN 0.190 nan 8.270 nan 0.000 0.434 310 R N -0.660 119.885 120.500 0.075 0.000 2.120 310 R HA -0.161 4.174 4.340 -0.009 0.000 0.234 310 R C 2.058 178.444 176.300 0.143 0.000 1.123 310 R CA 1.555 57.703 56.100 0.079 0.000 0.975 310 R CB -0.311 30.024 30.300 0.059 0.000 0.866 310 R HN 0.322 nan 8.270 nan 0.000 0.446 311 F N 1.311 121.294 119.950 0.056 0.000 2.128 311 F HA -0.022 4.500 4.527 -0.009 0.000 0.295 311 F C 1.614 177.432 175.800 0.029 0.000 1.100 311 F CA 1.374 59.407 58.000 0.055 0.000 1.260 311 F CB -0.021 39.066 39.000 0.145 0.000 1.009 311 F HN -0.169 nan 8.300 nan 0.000 0.476 312 K N -0.211 120.162 120.400 -0.044 0.000 2.360 312 K HA -0.053 4.262 4.320 -0.009 0.000 0.201 312 K C 1.457 177.955 176.600 -0.170 0.000 1.046 312 K CA 1.167 57.341 56.287 -0.189 0.000 0.945 312 K CB -0.239 32.269 32.500 0.012 0.000 0.750 312 K HN 0.171 nan 8.250 nan 0.000 0.464 313 S N 0.588 116.237 115.700 -0.086 0.000 2.597 313 S HA 0.111 4.576 4.470 -0.009 0.000 0.224 313 S C 0.262 174.858 174.600 -0.007 0.000 0.955 313 S CA -0.339 57.852 58.200 -0.015 0.000 0.933 313 S CB 0.427 63.657 63.200 0.050 0.000 0.788 313 S HN 0.122 nan 8.310 nan 0.000 0.488 325 N N 1.242 119.871 118.700 -0.118 0.000 2.399 325 N HA 0.512 5.247 4.740 -0.009 0.000 0.280 325 N C -0.353 175.151 175.510 -0.010 0.000 1.008 325 N CA -0.860 52.189 53.050 -0.002 0.000 0.894 325 N CB 0.648 39.159 38.487 0.040 0.000 1.273 325 N HN 0.397 nan 8.380 nan 0.000 0.486 326 F N 0.640 120.692 119.950 0.170 0.000 2.797 326 F HA 0.189 4.711 4.527 -0.009 0.000 0.302 326 F C 1.298 177.161 175.800 0.105 0.000 1.130 326 F CA -0.154 57.920 58.000 0.123 0.000 1.387 326 F CB 0.204 39.151 39.000 -0.090 0.000 1.107 326 F HN 0.538 nan 8.300 nan 0.000 0.577 327 D N 0.524 121.055 120.400 0.218 0.000 2.178 327 D HA -0.149 4.486 4.640 -0.009 0.000 0.201 327 D C 2.174 178.562 176.300 0.146 0.000 0.980 327 D CA 1.323 55.413 54.000 0.150 0.000 0.842 327 D CB -0.029 40.835 40.800 0.108 0.000 0.948 327 D HN 0.311 nan 8.370 nan 0.000 0.472 328 A N -0.339 122.591 122.820 0.184 0.000 2.275 328 A HA 0.068 4.383 4.320 -0.009 0.000 0.212 328 A C 1.676 179.365 177.584 0.175 0.000 1.201 328 A CA -0.330 51.812 52.037 0.176 0.000 0.843 328 A CB -0.614 18.499 19.000 0.189 0.000 0.873 328 A HN 0.125 nan 8.150 nan 0.000 0.492 329 F N 1.893 121.800 119.950 -0.071 0.000 2.065 329 F HA -0.143 4.379 4.527 -0.008 0.000 0.298 329 F C -0.793 174.892 175.800 -0.192 0.000 1.112 329 F CA 2.521 60.273 58.000 -0.413 0.000 1.212 329 F CB -0.614 38.171 39.000 -0.358 0.000 0.975 329 F HN 0.199 nan 8.300 nan 0.000 0.476 330 P HA -0.114 nan 4.420 nan 0.000 0.222 330 P C 0.764 178.022 177.300 -0.070 0.000 1.147 330 P CA 1.579 64.656 63.100 -0.038 0.000 0.790 330 P CB -0.064 31.642 31.700 0.009 0.000 0.780 331 D N -0.969 119.409 120.400 -0.036 0.000 2.317 331 D HA -0.031 4.604 4.640 -0.009 0.000 0.211 331 D C 1.468 177.753 176.300 -0.026 0.000 0.966 331 D CA 0.903 54.895 54.000 -0.014 0.000 0.876 331 D CB 0.126 40.940 40.800 0.022 0.000 0.927 331 D HN 0.168 nan 8.370 nan 0.000 0.519 332 K N 0.064 120.422 120.400 -0.069 0.000 2.380 332 K HA 0.207 4.522 4.320 -0.009 0.000 0.198 332 K C 0.039 176.546 176.600 -0.156 0.000 1.070 332 K CA 0.078 56.335 56.287 -0.050 0.000 1.040 332 K CB 2.296 34.872 32.500 0.126 0.000 0.903 332 K HN -0.060 nan 8.250 nan 0.000 0.549 333 V N 0.963 120.692 119.914 -0.308 0.000 2.638 333 V HA 0.643 4.758 4.120 -0.009 0.000 0.306 333 V C -1.110 174.897 176.094 -0.146 0.000 1.052 333 V CA -1.275 60.851 62.300 -0.291 0.000 0.885 333 V CB 1.870 33.246 31.823 -0.746 0.000 0.999 333 V HN 0.112 nan 8.190 nan 0.000 0.424 334 A N 5.595 128.381 122.820 -0.058 0.000 2.343 334 A HA 0.914 5.229 4.320 -0.009 0.000 0.308 334 A C -1.017 176.588 177.584 0.036 0.000 1.092 334 A CA -0.444 51.590 52.037 -0.005 0.000 0.751 334 A CB 0.995 19.929 19.000 -0.110 0.000 1.203 334 A HN 0.762 nan 8.150 nan 0.000 0.452 335 I N 1.901 122.545 120.570 0.122 0.000 2.382 335 I HA 0.309 4.474 4.170 -0.009 0.000 0.286 335 I C -0.355 175.860 176.117 0.164 0.000 1.002 335 I CA -0.565 60.821 61.300 0.144 0.000 1.135 335 I CB 1.977 40.046 38.000 0.115 0.000 1.288 335 I HN 0.705 nan 8.210 nan 0.000 0.448 336 Q N 6.081 125.977 119.800 0.160 0.000 2.340 336 Q HA 0.442 4.777 4.340 -0.009 0.000 0.259 336 Q C -1.433 174.582 176.000 0.025 0.000 0.964 336 Q CA -0.523 55.409 55.803 0.214 0.000 0.900 336 Q CB 1.260 30.246 28.738 0.414 0.000 1.228 336 Q HN 0.438 nan 8.270 nan 0.000 0.449 337 L N 4.249 125.524 121.223 0.087 0.000 2.283 337 L HA 0.316 4.651 4.340 -0.009 0.000 0.287 337 L C -0.199 176.711 176.870 0.067 0.000 1.073 337 L CA -0.127 54.754 54.840 0.068 0.000 0.822 337 L CB 0.479 42.626 42.059 0.147 0.000 1.186 337 L HN 0.585 nan 8.230 nan 0.000 0.436 338 N N 4.210 122.866 118.700 -0.073 0.000 2.508 338 N HA 0.124 4.859 4.740 -0.009 0.000 0.253 338 N C -0.067 175.473 175.510 0.050 0.000 1.145 338 N CA 0.479 53.537 53.050 0.014 0.000 0.973 338 N CB -0.129 38.266 38.487 -0.153 0.000 1.305 338 N HN 0.580 nan 8.380 nan 0.000 0.506 339 D N 0.021 120.552 120.400 0.219 0.000 4.199 339 D HA -0.224 4.411 4.640 -0.009 0.000 0.291 339 D C 0.339 176.751 176.300 0.186 0.000 2.213 339 D CA 1.538 55.656 54.000 0.197 0.000 1.174 339 D CB -0.623 40.027 40.800 -0.250 0.000 1.012 339 D HN 0.490 nan 8.370 nan 0.000 1.213 340 T N -2.430 112.168 114.554 0.073 0.000 3.129 340 T HA 0.099 4.444 4.350 -0.009 0.000 0.251 340 T C 1.684 176.464 174.700 0.133 0.000 1.117 340 T CA 1.531 63.647 62.100 0.027 0.000 1.034 340 T CB -0.531 68.315 68.868 -0.036 0.000 0.968 340 T HN 0.513 nan 8.240 nan 0.000 0.526 341 H N 2.658 121.811 119.070 0.139 0.000 2.357 341 H HA -0.029 4.522 4.556 -0.009 0.000 0.296 341 H C -0.783 174.633 175.328 0.146 0.000 1.108 341 H CA 1.201 57.347 56.048 0.164 0.000 1.273 341 H CB -0.756 29.102 29.762 0.159 0.000 1.367 341 H HN 0.449 nan 8.280 nan 0.000 0.498 342 P HA 0.089 nan 4.420 nan 0.000 0.262 342 P C 0.692 178.039 177.300 0.077 0.000 1.651 342 P CA 0.369 63.552 63.100 0.138 0.000 1.119 342 P CB 0.458 32.229 31.700 0.119 0.000 1.552 343 S N -0.148 115.591 115.700 0.065 0.000 2.440 343 S HA -0.117 4.348 4.470 -0.009 0.000 0.238 343 S C 1.773 176.377 174.600 0.006 0.000 1.010 343 S CA 0.725 58.922 58.200 -0.005 0.000 0.972 343 S CB -1.425 61.745 63.200 -0.049 0.000 0.774 343 S HN 0.151 nan 8.310 nan 0.000 0.501 344 L N 0.904 122.148 121.223 0.034 0.000 2.549 344 L HA 0.054 4.389 4.340 -0.009 0.000 0.229 344 L C 2.884 179.792 176.870 0.064 0.000 1.158 344 L CA 0.595 55.460 54.840 0.041 0.000 0.842 344 L CB -0.707 41.377 42.059 0.041 0.000 0.952 344 L HN 0.475 nan 8.230 nan 0.000 0.452 345 A N 0.502 123.339 122.820 0.029 0.000 1.972 345 A HA -0.175 4.140 4.320 -0.009 0.000 0.219 345 A C 2.181 179.763 177.584 -0.003 0.000 1.169 345 A CA 1.352 53.390 52.037 0.002 0.000 0.635 345 A CB -0.418 18.576 19.000 -0.011 0.000 0.810 345 A HN 0.367 nan 8.150 nan 0.000 0.446 346 I N 0.315 120.885 120.570 -0.001 0.000 2.113 346 I HA -0.148 4.017 4.170 -0.009 0.000 0.238 346 I C -0.339 175.791 176.117 0.021 0.000 1.070 346 I CA 1.568 62.863 61.300 -0.008 0.000 1.332 346 I CB -0.998 37.000 38.000 -0.004 0.000 1.044 346 I HN 0.255 nan 8.210 nan 0.000 0.402 347 P HA -0.151 nan 4.420 nan 0.000 0.225 347 P C 1.241 178.549 177.300 0.013 0.000 1.156 347 P CA 1.411 64.537 63.100 0.044 0.000 0.787 347 P CB 0.057 31.805 31.700 0.079 0.000 0.802 348 E N 0.351 120.630 120.200 0.131 0.000 2.107 348 E HA -0.137 4.207 4.350 -0.009 0.000 0.191 348 E C 1.900 178.477 176.600 -0.037 0.000 0.982 348 E CA 0.607 57.101 56.400 0.155 0.000 0.809 348 E CB -1.157 28.693 29.700 0.250 0.000 0.756 348 E HN 0.000 nan 8.360 nan 0.000 0.459 349 L N -0.064 121.108 121.223 -0.085 0.000 2.093 349 L HA -0.050 4.285 4.340 -0.009 0.000 0.208 349 L C 2.018 178.737 176.870 -0.252 0.000 1.085 349 L CA 1.650 56.380 54.840 -0.184 0.000 0.755 349 L CB -0.514 41.439 42.059 -0.176 0.000 0.904 349 L HN 0.221 nan 8.230 nan 0.000 0.435 350 M N -0.758 118.708 119.600 -0.223 0.000 2.117 350 M HA -0.194 4.281 4.480 -0.009 0.000 0.262 350 M C 2.420 178.541 176.300 -0.298 0.000 1.065 350 M CA 1.505 56.618 55.300 -0.312 0.000 1.114 350 M CB -1.180 31.214 32.600 -0.343 0.000 1.361 350 M HN 0.324 nan 8.290 nan 0.000 0.408 351 R N 0.094 120.442 120.500 -0.252 0.000 2.083 351 R HA -0.145 4.190 4.340 -0.009 0.000 0.237 351 R C 2.035 178.221 176.300 -0.191 0.000 1.137 351 R CA 1.783 57.737 56.100 -0.244 0.000 0.951 351 R CB -0.218 29.877 30.300 -0.342 0.000 0.851 351 R HN 0.210 nan 8.270 nan 0.000 0.434 352 V N 1.387 121.187 119.914 -0.191 0.000 2.295 352 V HA -0.246 3.869 4.120 -0.009 0.000 0.246 352 V C 2.409 178.334 176.094 -0.281 0.000 1.049 352 V CA 1.719 63.901 62.300 -0.195 0.000 1.024 352 V CB -0.397 31.305 31.823 -0.201 0.000 0.648 352 V HN 0.345 nan 8.190 nan 0.000 0.447 353 L N -0.631 120.360 121.223 -0.386 0.000 2.056 353 L HA -0.120 4.215 4.340 -0.009 0.000 0.207 353 L C 2.398 179.087 176.870 -0.302 0.000 1.078 353 L CA 1.091 55.643 54.840 -0.481 0.000 0.749 353 L CB -0.610 41.117 42.059 -0.553 0.000 0.901 353 L HN 0.209 nan 8.230 nan 0.000 0.433 354 V N -0.480 119.294 119.914 -0.234 0.000 2.300 354 V HA -0.185 3.929 4.120 -0.009 0.000 0.241 354 V C 1.998 178.049 176.094 -0.072 0.000 1.034 354 V CA 1.706 63.930 62.300 -0.126 0.000 1.021 354 V CB -0.367 31.403 31.823 -0.088 0.000 0.662 354 V HN 0.348 nan 8.190 nan 0.000 0.458 355 D N 0.073 120.425 120.400 -0.081 0.000 2.123 355 D HA -0.026 4.609 4.640 -0.009 0.000 0.200 355 D C 2.049 178.323 176.300 -0.044 0.000 0.976 355 D CA 1.225 55.196 54.000 -0.047 0.000 0.831 355 D CB -0.009 40.760 40.800 -0.052 0.000 0.974 355 D HN 0.329 nan 8.370 nan 0.000 0.469 356 L N 0.211 121.392 121.223 -0.070 0.000 2.286 356 L HA 0.100 4.435 4.340 -0.009 0.000 0.203 356 L C 1.911 178.755 176.870 -0.044 0.000 1.068 356 L CA 0.548 55.358 54.840 -0.049 0.000 0.811 356 L CB -0.007 42.022 42.059 -0.050 0.000 0.989 356 L HN -0.188 nan 8.230 nan 0.000 0.467 357 E N 0.735 120.877 120.200 -0.097 0.000 2.442 357 E HA 0.031 4.375 4.350 -0.009 0.000 0.195 357 E C 0.184 176.766 176.600 -0.031 0.000 1.030 357 E CA 0.001 56.363 56.400 -0.064 0.000 0.869 357 E CB 0.260 29.825 29.700 -0.225 0.000 0.857 357 E HN 0.266 nan 8.360 nan 0.000 0.505 358 R N -0.046 120.425 120.500 -0.049 0.000 3.656 358 R HA -0.190 4.144 4.340 -0.009 0.000 0.297 358 R C -0.461 175.834 176.300 -0.008 0.000 1.166 358 R CA 0.220 56.311 56.100 -0.014 0.000 0.799 358 R CB -2.517 27.791 30.300 0.013 0.000 1.285 358 R HN 0.029 nan 8.270 nan 0.000 0.477 359 L N 2.034 123.227 121.223 -0.050 0.000 2.439 359 L HA 0.164 4.499 4.340 -0.009 0.000 0.261 359 L C 1.304 178.174 176.870 -0.001 0.000 1.153 359 L CA 0.107 54.929 54.840 -0.030 0.000 0.808 359 L CB 0.424 42.427 42.059 -0.094 0.000 1.126 359 L HN 0.118 nan 8.230 nan 0.000 0.460 360 D N 0.423 120.846 120.400 0.038 0.000 2.357 360 D HA -0.130 4.505 4.640 -0.009 0.000 0.242 360 D C 0.937 177.306 176.300 0.115 0.000 1.153 360 D CA -0.522 53.532 54.000 0.090 0.000 0.918 360 D CB 0.747 41.605 40.800 0.097 0.000 1.181 360 D HN 0.602 nan 8.370 nan 0.000 0.435 361 W N 2.045 123.348 121.300 0.005 0.000 2.302 361 W HA -0.239 4.416 4.660 -0.008 0.000 0.320 361 W C 1.142 177.703 176.519 0.070 0.000 1.241 361 W CA 1.967 59.321 57.345 0.014 0.000 1.264 361 W CB -0.317 29.130 29.460 -0.022 0.000 1.154 361 W HN 0.483 nan 8.180 nan 0.000 0.483 362 D N 0.177 120.786 120.400 0.348 0.000 2.149 362 D HA -0.200 4.435 4.640 -0.009 0.000 0.198 362 D C 2.043 178.450 176.300 0.178 0.000 0.990 362 D CA 1.353 55.527 54.000 0.289 0.000 0.839 362 D CB -0.381 40.556 40.800 0.230 0.000 0.948 362 D HN 0.090 nan 8.370 nan 0.000 0.460 363 K N 1.117 121.579 120.400 0.103 0.000 2.025 363 K HA -0.003 4.311 4.320 -0.009 0.000 0.207 363 K C 2.025 178.622 176.600 -0.005 0.000 1.049 363 K CA 1.028 57.349 56.287 0.056 0.000 0.933 363 K CB -0.450 32.077 32.500 0.045 0.000 0.714 363 K HN 0.023 nan 8.250 nan 0.000 0.438 364 A N 0.991 123.764 122.820 -0.078 0.000 1.883 364 A HA -0.211 4.104 4.320 -0.009 0.000 0.217 364 A C 2.196 179.688 177.584 -0.152 0.000 1.186 364 A CA 1.532 53.452 52.037 -0.196 0.000 0.624 364 A CB -1.158 17.651 19.000 -0.319 0.000 0.822 364 A HN 0.674 nan 8.150 nan 0.000 0.444 365 W N 0.546 121.640 121.300 -0.343 0.000 2.358 365 W HA -0.169 4.486 4.660 -0.008 0.000 0.303 365 W C 2.016 178.479 176.519 -0.094 0.000 1.208 365 W CA 1.810 59.007 57.345 -0.247 0.000 1.274 365 W CB -0.093 29.274 29.460 -0.155 0.000 1.138 365 W HN 0.607 nan 8.180 nan 0.000 0.515 366 E N 0.035 120.233 120.200 -0.003 0.000 2.058 366 E HA -0.229 4.116 4.350 -0.009 0.000 0.194 366 E C 2.059 178.584 176.600 -0.125 0.000 0.997 366 E CA 1.941 58.303 56.400 -0.065 0.000 0.801 366 E CB -0.322 29.395 29.700 0.028 0.000 0.746 366 E HN 0.051 nan 8.360 nan 0.000 0.450 367 V N 0.718 120.574 119.914 -0.095 0.000 2.295 367 V HA -0.269 3.846 4.120 -0.009 0.000 0.246 367 V C 2.398 178.426 176.094 -0.111 0.000 1.049 367 V CA 2.197 64.456 62.300 -0.068 0.000 1.024 367 V CB -0.782 30.990 31.823 -0.085 0.000 0.648 367 V HN 0.378 nan 8.190 nan 0.000 0.447 368 T N 0.039 114.454 114.554 -0.230 0.000 2.652 368 T HA -0.185 4.160 4.350 -0.009 0.000 0.267 368 T C 1.955 176.474 174.700 -0.302 0.000 1.039 368 T CA 1.811 63.747 62.100 -0.272 0.000 1.153 368 T CB -0.312 68.337 68.868 -0.365 0.000 0.863 368 T HN 0.274 nan 8.240 nan 0.000 0.428 369 V N 1.509 121.124 119.914 -0.500 0.000 2.332 369 V HA -0.195 3.920 4.120 -0.009 0.000 0.248 369 V C 2.346 178.397 176.094 -0.072 0.000 1.055 369 V CA 1.684 63.752 62.300 -0.386 0.000 1.038 369 V CB -0.514 31.009 31.823 -0.501 0.000 0.651 369 V HN 0.489 nan 8.190 nan 0.000 0.450 370 K N -0.534 119.807 120.400 -0.098 0.000 2.283 370 K HA -0.082 4.232 4.320 -0.009 0.000 0.202 370 K C 2.061 178.638 176.600 -0.038 0.000 1.048 370 K CA 1.507 57.719 56.287 -0.124 0.000 0.948 370 K CB -0.205 32.222 32.500 -0.122 0.000 0.742 370 K HN 0.470 nan 8.250 nan 0.000 0.458 371 T N 0.219 114.809 114.554 0.059 0.000 2.976 371 T HA 0.027 4.372 4.350 -0.009 0.000 0.257 371 T C 0.918 175.730 174.700 0.188 0.000 1.051 371 T CA 0.356 62.530 62.100 0.123 0.000 1.141 371 T CB 0.105 69.079 68.868 0.176 0.000 0.881 371 T HN 0.170 nan 8.240 nan 0.000 0.461 372 C N 2.317 121.707 119.300 0.150 0.000 2.405 372 C HA 0.883 5.338 4.460 -0.009 0.000 0.365 372 C C 0.558 175.599 174.990 0.085 0.000 1.233 372 C CA -1.272 57.815 59.018 0.114 0.000 2.230 372 C CB 0.185 27.932 27.740 0.011 0.000 2.443 372 C HN 0.577 nan 8.230 nan 0.000 0.556 373 A N 1.914 124.782 122.820 0.080 0.000 2.449 373 A HA 0.737 5.052 4.320 -0.009 0.000 0.302 373 A C -1.504 176.154 177.584 0.124 0.000 1.048 373 A CA -0.405 51.626 52.037 -0.010 0.000 0.708 373 A CB 0.981 20.013 19.000 0.053 0.000 1.274 373 A HN 0.949 nan 8.150 nan 0.000 0.410 374 Y N 1.279 121.528 120.300 -0.084 0.000 2.376 374 Y HA 0.646 5.191 4.550 -0.008 0.000 0.340 374 Y C -0.482 175.404 175.900 -0.023 0.000 0.965 374 Y CA -0.316 57.752 58.100 -0.054 0.000 1.078 374 Y CB 2.030 40.417 38.460 -0.122 0.000 1.193 374 Y HN 0.557 nan 8.280 nan 0.000 0.452 375 T N 6.672 121.016 114.554 -0.350 0.000 2.770 375 T HA 0.185 4.530 4.350 -0.009 0.000 0.283 375 T C -0.779 173.463 174.700 -0.762 0.000 0.988 375 T CA -0.795 61.033 62.100 -0.453 0.000 0.957 375 T CB 0.377 69.210 68.868 -0.058 0.000 0.930 375 T HN 0.658 nan 8.240 nan 0.000 0.443 376 N N 1.817 120.062 118.700 -0.759 0.000 2.498 376 N HA 0.148 4.883 4.740 -0.009 0.000 0.287 376 N C -0.019 175.364 175.510 -0.212 0.000 1.097 376 N CA -0.336 52.505 53.050 -0.348 0.000 0.973 376 N CB 0.810 39.263 38.487 -0.056 0.000 1.153 376 N HN 0.679 nan 8.380 nan 0.000 0.472 377 H N 0.773 119.875 119.070 0.053 0.000 3.058 377 H HA 0.173 4.724 4.556 -0.009 0.000 0.266 377 H C -0.235 175.000 175.328 -0.155 0.000 1.135 377 H CA -0.075 55.946 56.048 -0.044 0.000 1.174 377 H CB 1.140 30.881 29.762 -0.035 0.000 1.581 377 H HN 0.547 nan 8.280 nan 0.000 0.553 378 T N 0.215 114.791 114.554 0.036 0.000 2.827 378 T HA 0.242 4.587 4.350 -0.009 0.000 0.328 378 T C 0.111 174.830 174.700 0.031 0.000 1.598 378 T CA -0.286 61.785 62.100 -0.049 0.000 1.043 378 T CB 1.308 70.150 68.868 -0.043 0.000 1.447 378 T HN -0.041 nan 8.240 nan 0.000 0.491 379 V N 1.163 121.054 119.914 -0.038 0.000 3.432 379 V HA 0.562 4.677 4.120 -0.009 0.000 0.298 379 V C 0.456 176.511 176.094 -0.065 0.000 1.464 379 V CA -0.138 62.129 62.300 -0.054 0.000 1.046 379 V CB -0.280 31.511 31.823 -0.052 0.000 0.887 379 V HN 0.683 nan 8.190 nan 0.000 0.441 380 L N 3.403 124.580 121.223 -0.077 0.000 2.477 380 L HA 0.255 4.590 4.340 -0.009 0.000 0.272 380 L C -0.458 176.413 176.870 0.002 0.000 1.157 380 L CA -1.125 53.694 54.840 -0.035 0.000 0.889 380 L CB 1.044 43.067 42.059 -0.060 0.000 1.158 380 L HN 0.115 nan 8.230 nan 0.000 0.473 381 P HA -0.240 nan 4.420 nan 0.000 0.216 381 P C 0.935 178.242 177.300 0.012 0.000 1.153 381 P CA 1.418 64.523 63.100 0.007 0.000 0.858 381 P CB 0.039 31.749 31.700 0.016 0.000 0.789 382 E N 0.345 120.583 120.200 0.064 0.000 2.472 382 E HA -0.078 4.267 4.350 -0.009 0.000 0.200 382 E C 1.626 178.215 176.600 -0.017 0.000 1.046 382 E CA 1.211 57.644 56.400 0.055 0.000 0.871 382 E CB -0.758 29.084 29.700 0.237 0.000 0.806 382 E HN 0.252 nan 8.360 nan 0.000 0.533 383 A N 1.128 123.966 122.820 0.030 0.000 2.169 383 A HA 0.245 4.560 4.320 -0.009 0.000 0.210 383 A C 1.307 178.874 177.584 -0.029 0.000 1.168 383 A CA -0.329 51.732 52.037 0.039 0.000 0.813 383 A CB 0.034 19.082 19.000 0.080 0.000 0.861 383 A HN 0.140 nan 8.150 nan 0.000 0.481 384 L N 1.545 122.711 121.223 -0.095 0.000 2.367 384 L HA 0.160 4.495 4.340 -0.009 0.000 0.275 384 L C -0.119 176.432 176.870 -0.533 0.000 1.129 384 L CA -0.158 54.567 54.840 -0.192 0.000 0.839 384 L CB 0.603 42.584 42.059 -0.129 0.000 1.133 384 L HN 0.332 nan 8.230 nan 0.000 0.453 385 E N 4.270 124.056 120.200 -0.690 0.000 2.257 385 E HA 0.220 4.565 4.350 -0.009 0.000 0.278 385 E C -0.610 175.361 176.600 -1.048 0.000 1.049 385 E CA -0.170 55.367 56.400 -1.439 0.000 0.876 385 E CB 0.716 29.893 29.700 -0.873 0.000 1.035 385 E HN 0.408 nan 8.360 nan 0.000 0.419 386 R N 3.927 123.686 120.500 -1.235 0.000 2.472 386 R HA 0.195 4.530 4.340 -0.009 0.000 0.294 386 R C -1.216 174.911 176.300 -0.289 0.000 1.243 386 R CA -0.586 55.218 56.100 -0.492 0.000 1.023 386 R CB 0.855 30.999 30.300 -0.259 0.000 1.157 386 R HN 0.447 nan 8.270 nan 0.000 0.530 387 W N 4.138 125.394 121.300 -0.074 0.000 2.316 387 W HA 0.284 4.939 4.660 -0.009 0.000 0.311 387 W C -1.951 174.540 176.519 -0.046 0.000 1.217 387 W CA -2.136 55.224 57.345 0.025 0.000 1.199 387 W CB 0.742 30.194 29.460 -0.013 0.000 1.202 387 W HN 0.236 nan 8.180 nan 0.000 0.528 388 P HA -0.066 nan 4.420 nan 0.000 0.267 388 P C 0.775 177.994 177.300 -0.135 0.000 1.205 388 P CA 0.159 63.216 63.100 -0.071 0.000 0.765 388 P CB 0.823 32.320 31.700 -0.338 0.000 0.828 389 V N 3.344 123.228 119.914 -0.050 0.000 2.392 389 V HA -0.289 3.826 4.120 -0.009 0.000 0.249 389 V C 2.108 178.197 176.094 -0.007 0.000 1.059 389 V CA 2.529 64.827 62.300 -0.003 0.000 1.051 389 V CB -1.730 30.157 31.823 0.107 0.000 0.658 389 V HN 0.760 nan 8.190 nan 0.000 0.455 390 H N -0.950 118.178 119.070 0.096 0.000 2.489 390 H HA -0.104 4.447 4.556 -0.008 0.000 0.293 390 H C 1.993 177.370 175.328 0.081 0.000 1.066 390 H CA 1.721 57.821 56.048 0.087 0.000 1.305 390 H CB -0.509 29.304 29.762 0.086 0.000 1.386 390 H HN 0.389 nan 8.280 nan 0.000 0.551 391 L N -0.181 120.930 121.223 -0.187 0.000 2.068 391 L HA -0.023 4.312 4.340 -0.009 0.000 0.204 391 L C 2.275 179.114 176.870 -0.052 0.000 1.076 391 L CA 0.793 55.615 54.840 -0.031 0.000 0.753 391 L CB -0.157 41.862 42.059 -0.067 0.000 0.910 391 L HN 0.316 nan 8.230 nan 0.000 0.439 392 L N -0.446 120.713 121.223 -0.108 0.000 2.083 392 L HA -0.257 4.078 4.340 -0.009 0.000 0.209 392 L C 2.472 179.283 176.870 -0.097 0.000 1.083 392 L CA 1.260 56.007 54.840 -0.155 0.000 0.752 392 L CB -0.461 41.494 42.059 -0.174 0.000 0.899 392 L HN 0.362 nan 8.230 nan 0.000 0.433 393 E N -0.335 119.850 120.200 -0.025 0.000 2.058 393 E HA -0.226 4.119 4.350 -0.009 0.000 0.194 393 E C 1.934 178.574 176.600 0.066 0.000 0.997 393 E CA 2.012 58.429 56.400 0.029 0.000 0.801 393 E CB 0.125 29.881 29.700 0.093 0.000 0.746 393 E HN 0.427 nan 8.360 nan 0.000 0.450 394 T N 0.739 115.358 114.554 0.108 0.000 2.894 394 T HA -0.076 4.269 4.350 -0.009 0.000 0.258 394 T C 1.717 176.540 174.700 0.205 0.000 1.043 394 T CA 0.698 62.911 62.100 0.189 0.000 1.141 394 T CB -0.113 68.896 68.868 0.235 0.000 0.873 394 T HN 0.069 nan 8.240 nan 0.000 0.449 395 L N 0.117 121.363 121.223 0.039 0.000 2.095 395 L HA 0.334 4.669 4.340 -0.009 0.000 0.204 395 L C 0.422 177.227 176.870 -0.108 0.000 1.080 395 L CA 1.632 56.375 54.840 -0.161 0.000 0.759 395 L CB -0.006 41.922 42.059 -0.219 0.000 0.914 395 L HN 0.174 nan 8.230 nan 0.000 0.439 396 L N 0.858 121.980 121.223 -0.168 0.000 2.551 396 L HA 0.288 4.623 4.340 -0.009 0.000 0.248 396 L C -1.642 175.052 176.870 -0.294 0.000 1.509 396 L CA -0.962 53.691 54.840 -0.311 0.000 0.842 396 L CB 0.915 42.621 42.059 -0.588 0.000 1.087 396 L HN -0.046 nan 8.230 nan 0.000 0.512 397 P HA -0.237 nan 4.420 nan 0.000 0.216 397 P C 1.433 178.549 177.300 -0.308 0.000 1.150 397 P CA 1.285 64.276 63.100 -0.182 0.000 0.843 397 P CB 0.415 32.085 31.700 -0.051 0.000 0.787 398 R N -0.117 120.014 120.500 -0.615 0.000 2.075 398 R HA -0.136 4.199 4.340 -0.009 0.000 0.232 398 R C 2.360 178.363 176.300 -0.495 0.000 1.126 398 R CA 1.692 57.430 56.100 -0.603 0.000 0.963 398 R CB -1.774 27.967 30.300 -0.932 0.000 0.858 398 R HN 0.251 nan 8.270 nan 0.000 0.435 399 H N -0.260 118.491 119.070 -0.531 0.000 2.421 399 H HA -0.047 4.503 4.556 -0.009 0.000 0.298 399 H C 1.767 176.920 175.328 -0.291 0.000 1.087 399 H CA 1.555 57.379 56.048 -0.372 0.000 1.330 399 H CB -0.100 29.407 29.762 -0.424 0.000 1.388 399 H HN 0.088 nan 8.280 nan 0.000 0.526 400 L N 0.503 121.601 121.223 -0.208 0.000 2.056 400 L HA -0.224 4.111 4.340 -0.009 0.000 0.207 400 L C 1.717 178.395 176.870 -0.321 0.000 1.078 400 L CA 1.602 56.252 54.840 -0.317 0.000 0.749 400 L CB -0.270 41.625 42.059 -0.274 0.000 0.901 400 L HN 0.446 nan 8.230 nan 0.000 0.433 401 Q N -0.325 119.401 119.800 -0.124 0.000 2.119 401 Q HA -0.206 4.128 4.340 -0.009 0.000 0.201 401 Q C 2.171 178.195 176.000 0.040 0.000 0.972 401 Q CA 1.474 57.299 55.803 0.038 0.000 0.847 401 Q CB -0.024 28.739 28.738 0.040 0.000 0.903 401 Q HN 0.556 nan 8.270 nan 0.000 0.433 402 I N 0.462 121.030 120.570 -0.004 0.000 2.315 402 I HA -0.254 3.911 4.170 -0.009 0.000 0.248 402 I C 2.129 178.320 176.117 0.124 0.000 1.117 402 I CA 1.004 62.383 61.300 0.133 0.000 1.404 402 I CB -0.126 37.893 38.000 0.031 0.000 1.071 402 I HN 0.197 nan 8.210 nan 0.000 0.419 403 I N -0.433 120.125 120.570 -0.020 0.000 2.315 403 I HA -0.305 3.860 4.170 -0.009 0.000 0.248 403 I C 2.359 178.483 176.117 0.012 0.000 1.117 403 I CA 1.375 62.650 61.300 -0.043 0.000 1.404 403 I CB -0.321 37.582 38.000 -0.161 0.000 1.071 403 I HN 0.162 nan 8.210 nan 0.000 0.419 404 Y N 0.774 121.079 120.300 0.008 0.000 2.200 404 Y HA -0.240 4.305 4.550 -0.008 0.000 0.290 404 Y C 2.591 178.456 175.900 -0.058 0.000 1.137 404 Y CA 1.307 59.398 58.100 -0.015 0.000 1.163 404 Y CB -0.731 37.712 38.460 -0.028 0.000 0.988 404 Y HN 0.141 nan 8.280 nan 0.000 0.518 405 E N 0.475 120.713 120.200 0.064 0.000 2.077 405 E HA -0.157 4.188 4.350 -0.009 0.000 0.193 405 E C 2.093 178.601 176.600 -0.155 0.000 0.989 405 E CA 1.369 57.657 56.400 -0.186 0.000 0.800 405 E CB -0.536 28.883 29.700 -0.469 0.000 0.746 405 E HN 0.467 nan 8.360 nan 0.000 0.452 406 I N 0.552 121.138 120.570 0.026 0.000 2.179 406 I HA -0.289 3.876 4.170 -0.009 0.000 0.242 406 I C 2.272 178.393 176.117 0.008 0.000 1.088 406 I CA 1.375 62.649 61.300 -0.042 0.000 1.357 406 I CB -0.411 37.573 38.000 -0.027 0.000 1.051 406 I HN 0.207 nan 8.210 nan 0.000 0.409 407 N N 0.823 119.575 118.700 0.087 0.000 2.084 407 N HA -0.268 4.467 4.740 -0.009 0.000 0.190 407 N C 1.866 177.468 175.510 0.152 0.000 1.030 407 N CA 1.627 54.782 53.050 0.176 0.000 0.849 407 N CB -0.166 38.440 38.487 0.198 0.000 1.012 407 N HN 0.277 nan 8.380 nan 0.000 0.423 408 Q N 0.020 119.853 119.800 0.055 0.000 2.014 408 Q HA -0.167 4.167 4.340 -0.009 0.000 0.207 408 Q C 2.043 178.026 176.000 -0.028 0.000 0.993 408 Q CA 1.780 57.576 55.803 -0.012 0.000 0.850 408 Q CB -0.034 28.652 28.738 -0.085 0.000 0.916 408 Q HN 0.398 nan 8.270 nan 0.000 0.417 409 R N -0.751 119.706 120.500 -0.072 0.000 2.120 409 R HA -0.136 4.199 4.340 -0.009 0.000 0.234 409 R C 2.198 178.522 176.300 0.040 0.000 1.123 409 R CA 1.191 57.248 56.100 -0.073 0.000 0.975 409 R CB -0.400 29.799 30.300 -0.169 0.000 0.866 409 R HN 0.299 nan 8.270 nan 0.000 0.446 410 F N 1.662 121.585 119.950 -0.045 0.000 2.113 410 F HA -0.078 4.444 4.527 -0.009 0.000 0.297 410 F C 1.920 177.745 175.800 0.041 0.000 1.103 410 F CA 1.248 59.271 58.000 0.039 0.000 1.248 410 F CB -0.242 38.812 39.000 0.091 0.000 0.999 410 F HN -0.135 nan 8.300 nan 0.000 0.475 411 L N 0.022 121.245 121.223 0.000 0.000 2.191 411 L HA -0.235 4.100 4.340 -0.009 0.000 0.212 411 L C 1.975 178.774 176.870 -0.118 0.000 1.103 411 L CA 1.487 56.265 54.840 -0.103 0.000 0.769 411 L CB -0.878 41.187 42.059 0.011 0.000 0.908 411 L HN 0.269 nan 8.230 nan 0.000 0.438 412 N N -0.209 118.442 118.700 -0.082 0.000 2.244 412 N HA -0.143 4.592 4.740 -0.009 0.000 0.183 412 N C 1.894 177.350 175.510 -0.091 0.000 1.016 412 N CA 0.671 53.676 53.050 -0.074 0.000 0.866 412 N CB 0.045 38.496 38.487 -0.060 0.000 0.980 412 N HN 0.308 nan 8.380 nan 0.000 0.430 413 R N 0.485 120.913 120.500 -0.121 0.000 2.090 413 R HA -0.013 4.322 4.340 -0.009 0.000 0.228 413 R C 2.153 178.357 176.300 -0.160 0.000 1.110 413 R CA 0.720 56.747 56.100 -0.121 0.000 0.973 413 R CB -0.203 30.037 30.300 -0.099 0.000 0.869 413 R HN 0.076 nan 8.270 nan 0.000 0.440 414 V N 0.999 120.769 119.914 -0.239 0.000 2.307 414 V HA -0.214 3.901 4.120 -0.009 0.000 0.245 414 V C 2.441 178.532 176.094 -0.006 0.000 1.045 414 V CA 1.956 64.177 62.300 -0.131 0.000 1.024 414 V CB -0.697 30.978 31.823 -0.248 0.000 0.651 414 V HN 0.378 nan 8.190 nan 0.000 0.449 415 A N 0.067 122.856 122.820 -0.052 0.000 1.940 415 A HA -0.116 4.199 4.320 -0.009 0.000 0.219 415 A C 2.357 179.917 177.584 -0.039 0.000 1.176 415 A CA 2.090 54.113 52.037 -0.023 0.000 0.631 415 A CB -0.675 18.302 19.000 -0.038 0.000 0.814 415 A HN 0.582 nan 8.150 nan 0.000 0.446 416 A N -0.761 122.015 122.820 -0.074 0.000 2.014 416 A HA 0.345 4.660 4.320 -0.009 0.000 0.218 416 A C 2.293 179.781 177.584 -0.159 0.000 1.163 416 A CA 1.598 53.579 52.037 -0.094 0.000 0.652 416 A CB -0.556 18.394 19.000 -0.083 0.000 0.808 416 A HN 0.944 nan 8.150 nan 0.000 0.449 417 A N -1.690 120.986 122.820 -0.240 0.000 2.030 417 A HA 0.438 4.753 4.320 -0.009 0.000 0.215 417 A C 0.347 177.438 177.584 -0.821 0.000 1.164 417 A CA 0.421 52.131 52.037 -0.545 0.000 0.697 417 A CB -0.055 18.537 19.000 -0.680 0.000 0.827 417 A HN 0.402 nan 8.150 nan 0.000 0.457 418 F N -0.054 119.850 119.950 -0.077 0.000 2.622 418 F HA 0.344 4.866 4.527 -0.009 0.000 0.338 418 F C -2.827 172.936 175.800 -0.062 0.000 1.334 418 F CA -2.834 55.125 58.000 -0.068 0.000 1.179 418 F CB 0.720 39.671 39.000 -0.082 0.000 1.471 418 F HN -0.083 nan 8.300 nan 0.000 0.576 419 P HA 0.166 nan 4.420 nan 0.000 0.262 419 P C 1.027 178.347 177.300 0.034 0.000 1.182 419 P CA 1.220 64.331 63.100 0.018 0.000 0.761 419 P CB 0.786 32.479 31.700 -0.012 0.000 0.795 420 G N 2.759 111.571 108.800 0.020 0.000 2.234 420 G HA2 -0.255 3.700 3.960 -0.009 0.000 0.260 420 G HA3 -0.255 3.700 3.960 -0.009 0.000 0.260 420 G C 0.420 175.329 174.900 0.015 0.000 0.987 420 G CA 0.071 45.179 45.100 0.014 0.000 0.625 420 G HN 0.600 nan 8.290 nan 0.000 0.532 421 D N 1.599 122.017 120.400 0.030 0.000 2.551 421 D HA 0.365 5.000 4.640 -0.009 0.000 0.223 421 D C 2.155 178.445 176.300 -0.017 0.000 1.144 421 D CA 0.457 54.458 54.000 0.002 0.000 1.025 421 D CB 0.305 41.103 40.800 -0.004 0.000 1.085 421 D HN 0.639 nan 8.370 nan 0.000 0.506 422 V N 0.623 120.529 119.914 -0.014 0.000 2.490 422 V HA -0.176 3.939 4.120 -0.009 0.000 0.250 422 V C 1.789 177.870 176.094 -0.021 0.000 1.061 422 V CA 1.669 63.960 62.300 -0.015 0.000 1.064 422 V CB -0.465 31.353 31.823 -0.009 0.000 0.670 422 V HN 0.214 nan 8.190 nan 0.000 0.461 423 D N 0.375 120.758 120.400 -0.028 0.000 2.178 423 D HA -0.164 4.470 4.640 -0.009 0.000 0.202 423 D C 2.331 178.602 176.300 -0.048 0.000 0.974 423 D CA 1.324 55.307 54.000 -0.028 0.000 0.841 423 D CB -0.211 40.572 40.800 -0.027 0.000 0.953 423 D HN 0.475 nan 8.370 nan 0.000 0.478 424 R N -0.105 120.341 120.500 -0.089 0.000 2.081 424 R HA -0.079 4.256 4.340 -0.009 0.000 0.235 424 R C 2.259 178.489 176.300 -0.117 0.000 1.131 424 R CA 0.864 56.874 56.100 -0.151 0.000 0.960 424 R CB -0.257 29.889 30.300 -0.256 0.000 0.856 424 R HN 0.250 nan 8.270 nan 0.000 0.436 425 L N 0.335 121.514 121.223 -0.073 0.000 2.012 425 L HA -0.219 4.116 4.340 -0.009 0.000 0.210 425 L C 2.932 179.805 176.870 0.004 0.000 1.073 425 L CA 1.786 56.602 54.840 -0.041 0.000 0.748 425 L CB -0.573 41.473 42.059 -0.022 0.000 0.891 425 L HN 0.311 nan 8.230 nan 0.000 0.431 426 R N 0.408 120.916 120.500 0.012 0.000 2.073 426 R HA -0.148 4.187 4.340 -0.009 0.000 0.234 426 R C 2.474 178.824 176.300 0.082 0.000 1.134 426 R CA 1.360 57.488 56.100 0.047 0.000 0.952 426 R CB -0.069 30.251 30.300 0.035 0.000 0.850 426 R HN 0.292 nan 8.270 nan 0.000 0.433 427 R N -0.289 120.242 120.500 0.052 0.000 2.115 427 R HA -0.048 4.286 4.340 -0.009 0.000 0.230 427 R C 2.153 178.538 176.300 0.142 0.000 1.111 427 R CA 1.630 57.788 56.100 0.097 0.000 0.976 427 R CB -0.116 30.202 30.300 0.030 0.000 0.870 427 R HN 0.333 nan 8.270 nan 0.000 0.445 428 M N 0.176 119.776 119.600 0.001 0.000 2.541 428 M HA 0.042 4.517 4.480 -0.009 0.000 0.252 428 M C 0.891 177.347 176.300 0.262 0.000 1.125 428 M CA -0.000 55.250 55.300 -0.083 0.000 1.091 428 M CB 0.400 32.779 32.600 -0.367 0.000 1.420 428 M HN -0.074 nan 8.290 nan 0.000 0.486 429 S N 1.062 116.926 115.700 0.273 0.000 2.558 429 S HA 0.037 4.502 4.470 -0.009 0.000 0.287 429 S C 1.110 175.974 174.600 0.440 0.000 1.321 429 S CA -0.176 58.216 58.200 0.320 0.000 1.048 429 S CB 0.565 63.895 63.200 0.216 0.000 0.844 429 S HN 0.373 nan 8.310 nan 0.000 0.512 430 L N 3.858 125.288 121.223 0.345 0.000 2.395 430 L HA 0.134 4.469 4.340 -0.009 0.000 0.218 430 L C 0.226 177.207 176.870 0.185 0.000 1.130 430 L CA 0.230 55.231 54.840 0.269 0.000 0.826 430 L CB -0.324 41.829 42.059 0.157 0.000 0.941 430 L HN 0.389 nan 8.230 nan 0.000 0.451 431 V N 0.664 120.700 119.914 0.203 0.000 2.370 431 V HA 0.186 4.301 4.120 -0.009 0.000 0.279 431 V C 0.040 176.224 176.094 0.150 0.000 1.029 431 V CA -0.579 61.826 62.300 0.175 0.000 0.870 431 V CB 1.545 33.508 31.823 0.233 0.000 0.984 431 V HN 0.153 nan 8.190 nan 0.000 0.451 432 E N 3.532 123.799 120.200 0.111 0.000 2.174 432 E HA 0.336 4.681 4.350 -0.009 0.000 0.282 432 E C -0.437 176.215 176.600 0.086 0.000 0.992 432 E CA -0.581 55.875 56.400 0.092 0.000 0.803 432 E CB 1.279 31.012 29.700 0.056 0.000 1.090 432 E HN 0.592 nan 8.360 nan 0.000 0.396 433 E N 1.031 121.279 120.200 0.079 0.000 2.342 433 E HA 0.583 4.928 4.350 -0.009 0.000 0.257 433 E C 0.392 177.028 176.600 0.060 0.000 1.150 433 E CA -0.234 56.207 56.400 0.069 0.000 0.926 433 E CB 1.532 31.267 29.700 0.058 0.000 1.074 433 E HN 0.755 nan 8.360 nan 0.000 0.449 434 G N -0.682 108.151 108.800 0.056 0.000 2.325 434 G HA2 0.120 4.075 3.960 -0.009 0.000 0.285 434 G HA3 0.120 4.075 3.960 -0.009 0.000 0.285 434 G C 0.514 175.446 174.900 0.054 0.000 1.303 434 G CA 0.303 45.434 45.100 0.050 0.000 0.970 434 G HN 0.464 nan 8.290 nan 0.000 0.490 435 A N -1.210 121.640 122.820 0.050 0.000 1.915 435 A HA 0.257 4.572 4.320 -0.009 0.000 0.220 435 A C 1.651 179.277 177.584 0.070 0.000 1.198 435 A CA 3.413 55.481 52.037 0.052 0.000 0.647 435 A CB -0.619 18.410 19.000 0.048 0.000 0.825 435 A HN 2.291 nan 8.150 nan 0.000 0.456 436 V N 0.221 120.185 119.914 0.083 0.000 2.569 436 V HA 0.389 4.504 4.120 -0.009 0.000 0.301 436 V C -0.806 175.353 176.094 0.107 0.000 1.044 436 V CA -1.137 61.233 62.300 0.117 0.000 0.874 436 V CB 1.593 33.503 31.823 0.146 0.000 1.002 436 V HN 0.396 nan 8.190 nan 0.000 0.424 437 K N 5.997 126.468 120.400 0.118 0.000 2.401 437 K HA 0.441 4.756 4.320 -0.009 0.000 0.278 437 K C -0.369 176.289 176.600 0.096 0.000 1.018 437 K CA -0.116 56.237 56.287 0.110 0.000 0.981 437 K CB 0.848 33.428 32.500 0.132 0.000 0.933 437 K HN 0.669 nan 8.250 nan 0.000 0.477 438 R N 1.420 121.968 120.500 0.080 0.000 2.836 438 R HA 0.495 4.830 4.340 -0.009 0.000 0.269 438 R C -0.666 175.666 176.300 0.053 0.000 1.010 438 R CA -1.051 55.085 56.100 0.059 0.000 0.930 438 R CB 1.280 31.600 30.300 0.034 0.000 1.218 438 R HN 0.357 nan 8.270 nan 0.000 0.473 439 I N 1.836 122.432 120.570 0.043 0.000 2.354 439 I HA 0.176 4.341 4.170 -0.009 0.000 0.292 439 I C -0.297 175.799 176.117 -0.034 0.000 0.989 439 I CA -0.775 60.538 61.300 0.022 0.000 1.188 439 I CB 1.296 39.309 38.000 0.021 0.000 1.342 439 I HN 0.505 nan 8.210 nan 0.000 0.457 440 N N 7.120 125.772 118.700 -0.080 0.000 2.415 440 N HA 0.099 4.834 4.740 -0.009 0.000 0.246 440 N C 0.829 176.236 175.510 -0.172 0.000 1.078 440 N CA -0.348 52.573 53.050 -0.215 0.000 0.942 440 N CB 0.965 39.178 38.487 -0.457 0.000 1.140 440 N HN 0.371 nan 8.380 nan 0.000 0.501 441 M N 2.409 121.909 119.600 -0.166 0.000 2.279 441 M HA -0.073 4.402 4.480 -0.009 0.000 0.264 441 M C 1.926 178.081 176.300 -0.241 0.000 1.062 441 M CA 0.762 55.980 55.300 -0.137 0.000 1.099 441 M CB -1.574 30.984 32.600 -0.070 0.000 1.394 441 M HN 0.603 nan 8.290 nan 0.000 0.426 442 A N -0.588 122.086 122.820 -0.244 0.000 1.930 442 A HA -0.165 4.150 4.320 -0.009 0.000 0.217 442 A C 1.990 179.352 177.584 -0.371 0.000 1.175 442 A CA 1.415 53.277 52.037 -0.292 0.000 0.627 442 A CB -1.094 17.940 19.000 0.056 0.000 0.815 442 A HN 0.600 nan 8.150 nan 0.000 0.443 443 H N -1.556 117.298 119.070 -0.359 0.000 2.389 443 H HA -0.084 4.467 4.556 -0.009 0.000 0.299 443 H C 2.075 177.162 175.328 -0.402 0.000 1.081 443 H CA 1.054 56.839 56.048 -0.439 0.000 1.345 443 H CB 0.015 29.738 29.762 -0.065 0.000 1.393 443 H HN 0.434 nan 8.280 nan 0.000 0.520 444 L N 0.620 121.750 121.223 -0.156 0.000 2.046 444 L HA -0.161 4.174 4.340 -0.009 0.000 0.208 444 L C 2.205 178.932 176.870 -0.239 0.000 1.077 444 L CA 1.418 56.164 54.840 -0.156 0.000 0.747 444 L CB -0.712 41.288 42.059 -0.097 0.000 0.896 444 L HN 0.287 nan 8.230 nan 0.000 0.432 445 C N -0.447 118.611 119.300 -0.404 0.000 2.446 445 C HA -0.097 4.358 4.460 -0.009 0.000 0.277 445 C C 2.715 177.450 174.990 -0.424 0.000 1.275 445 C CA 0.849 59.554 59.018 -0.522 0.000 1.727 445 C CB -0.875 26.178 27.740 -1.145 0.000 2.010 445 C HN 0.597 nan 8.230 nan 0.000 0.486 446 I N 1.377 121.649 120.570 -0.497 0.000 2.202 446 I HA -0.187 3.978 4.170 -0.009 0.000 0.242 446 I C 2.775 178.739 176.117 -0.255 0.000 1.091 446 I CA 1.603 62.658 61.300 -0.407 0.000 1.368 446 I CB -0.609 36.997 38.000 -0.657 0.000 1.058 446 I HN 0.261 nan 8.210 nan 0.000 0.410 447 A N 0.685 123.320 122.820 -0.308 0.000 1.933 447 A HA -0.112 4.203 4.320 -0.009 0.000 0.218 447 A C 2.216 179.833 177.584 0.055 0.000 1.175 447 A CA 1.924 53.826 52.037 -0.225 0.000 0.628 447 A CB -1.155 17.503 19.000 -0.570 0.000 0.814 447 A HN 0.482 nan 8.150 nan 0.000 0.444 448 G N -1.207 107.564 108.800 -0.048 0.000 3.284 448 G HA2 0.409 4.364 3.960 -0.009 0.000 0.236 448 G HA3 0.409 4.364 3.960 -0.009 0.000 0.236 448 G C 0.109 174.842 174.900 -0.278 0.000 1.158 448 G CA 0.483 45.434 45.100 -0.249 0.000 0.774 448 G HN 0.347 nan 8.290 nan 0.000 0.545 449 S N -0.236 115.355 115.700 -0.181 0.000 2.536 449 S HA 0.320 4.785 4.470 -0.009 0.000 0.298 449 S C 0.733 175.267 174.600 -0.110 0.000 1.083 449 S CA -0.710 57.407 58.200 -0.137 0.000 0.995 449 S CB 1.249 64.376 63.200 -0.122 0.000 1.058 449 S HN 0.509 nan 8.310 nan 0.000 0.488 450 H N -0.015 119.011 119.070 -0.074 0.000 2.548 450 H HA 0.498 5.049 4.556 -0.009 0.000 0.265 450 H C 0.122 175.422 175.328 -0.046 0.000 0.969 450 H CA 0.236 56.263 56.048 -0.035 0.000 1.155 450 H CB 0.138 29.900 29.762 -0.000 0.000 1.394 450 H HN 0.508 nan 8.280 nan 0.000 0.570 451 A N 0.912 123.411 122.820 -0.536 0.000 2.488 451 A HA 0.561 4.876 4.320 -0.009 0.000 0.298 451 A C -1.450 175.927 177.584 -0.346 0.000 1.044 451 A CA -0.571 51.212 52.037 -0.425 0.000 0.693 451 A CB 2.233 20.953 19.000 -0.467 0.000 1.272 451 A HN 0.097 nan 8.150 nan 0.000 0.402 452 V N 4.099 123.779 119.914 -0.390 0.000 2.577 452 V HA 0.553 4.668 4.120 -0.009 0.000 0.303 452 V C -0.873 175.038 176.094 -0.305 0.000 1.042 452 V CA -0.758 61.315 62.300 -0.378 0.000 0.872 452 V CB 1.877 33.342 31.823 -0.597 0.000 0.998 452 V HN 1.033 nan 8.190 nan 0.000 0.423 453 N N 3.066 121.604 118.700 -0.271 0.000 2.262 453 N HA 0.616 5.351 4.740 -0.009 0.000 0.295 453 N C -0.290 175.116 175.510 -0.174 0.000 1.161 453 N CA -0.381 52.552 53.050 -0.195 0.000 0.767 453 N CB 2.844 41.191 38.487 -0.232 0.000 1.499 453 N HN 0.641 nan 8.380 nan 0.000 0.476 454 G N -0.821 107.909 108.800 -0.116 0.000 2.522 454 G HA2 0.426 4.381 3.960 -0.009 0.000 0.304 454 G HA3 0.426 4.381 3.960 -0.009 0.000 0.304 454 G C 0.727 175.684 174.900 0.095 0.000 1.210 454 G CA -0.523 44.547 45.100 -0.050 0.000 0.960 454 G HN 0.639 nan 8.290 nan 0.000 0.497 455 V N -3.512 116.589 119.914 0.312 0.000 3.376 455 V HA 0.693 4.808 4.120 -0.009 0.000 0.313 455 V C 0.540 176.720 176.094 0.143 0.000 1.393 455 V CA 0.291 62.683 62.300 0.154 0.000 1.125 455 V CB -0.842 31.029 31.823 0.081 0.000 1.037 455 V HN 1.334 nan 8.190 nan 0.000 0.440 456 A N -0.121 122.791 122.820 0.154 0.000 2.599 456 A HA 0.652 4.966 4.320 -0.009 0.000 0.294 456 A C 0.590 178.223 177.584 0.081 0.000 1.055 456 A CA -0.141 51.963 52.037 0.112 0.000 0.683 456 A CB 1.191 20.247 19.000 0.093 0.000 1.278 456 A HN 0.064 nan 8.150 nan 0.000 0.412 457 R N 0.938 121.466 120.500 0.046 0.000 2.096 457 R HA -0.156 4.179 4.340 -0.009 0.000 0.240 457 R C 1.730 178.026 176.300 -0.006 0.000 1.139 457 R CA 2.310 58.414 56.100 0.007 0.000 0.952 457 R CB -0.231 30.069 30.300 -0.001 0.000 0.854 457 R HN 0.813 nan 8.270 nan 0.000 0.436 458 I N 0.173 120.749 120.570 0.010 0.000 2.315 458 I HA -0.283 3.882 4.170 -0.009 0.000 0.248 458 I C 2.236 178.360 176.117 0.012 0.000 1.117 458 I CA 1.791 63.089 61.300 -0.003 0.000 1.404 458 I CB -0.208 37.790 38.000 -0.004 0.000 1.071 458 I HN 0.360 nan 8.210 nan 0.000 0.419 459 H N 0.392 119.430 119.070 -0.053 0.000 2.326 459 H HA -0.116 4.435 4.556 -0.009 0.000 0.301 459 H C 2.268 177.555 175.328 -0.069 0.000 1.081 459 H CA 2.200 58.210 56.048 -0.064 0.000 1.334 459 H CB -0.314 29.417 29.762 -0.052 0.000 1.385 459 H HN 0.233 nan 8.280 nan 0.000 0.504 460 S N 0.339 115.903 115.700 -0.226 0.000 2.382 460 S HA -0.128 4.337 4.470 -0.009 0.000 0.228 460 S C 1.914 176.379 174.600 -0.226 0.000 1.027 460 S CA 1.231 59.273 58.200 -0.263 0.000 0.991 460 S CB -0.086 63.039 63.200 -0.126 0.000 0.823 460 S HN 0.478 nan 8.310 nan 0.000 0.469 461 E N 1.153 121.250 120.200 -0.172 0.000 2.072 461 E HA -0.005 4.340 4.350 -0.009 0.000 0.191 461 E C 2.017 178.498 176.600 -0.198 0.000 0.985 461 E CA 0.653 56.944 56.400 -0.180 0.000 0.801 461 E CB -0.366 29.262 29.700 -0.120 0.000 0.750 461 E HN 0.509 nan 8.360 nan 0.000 0.452 462 I N 0.940 121.408 120.570 -0.171 0.000 2.286 462 I HA -0.272 3.893 4.170 -0.009 0.000 0.248 462 I C 2.376 178.362 176.117 -0.218 0.000 1.115 462 I CA 0.772 61.978 61.300 -0.158 0.000 1.392 462 I CB -0.239 37.702 38.000 -0.099 0.000 1.065 462 I HN 0.068 nan 8.210 nan 0.000 0.418 463 L N 0.401 121.449 121.223 -0.291 0.000 2.083 463 L HA -0.222 4.113 4.340 -0.009 0.000 0.209 463 L C 2.435 179.161 176.870 -0.239 0.000 1.083 463 L CA 1.552 56.215 54.840 -0.296 0.000 0.752 463 L CB -0.524 41.412 42.059 -0.205 0.000 0.899 463 L HN 0.209 nan 8.230 nan 0.000 0.433 464 K N -0.115 120.080 120.400 -0.341 0.000 2.228 464 K HA -0.083 4.232 4.320 -0.009 0.000 0.202 464 K C 1.965 178.373 176.600 -0.319 0.000 1.051 464 K CA 0.765 56.729 56.287 -0.538 0.000 0.960 464 K CB 0.116 32.031 32.500 -0.974 0.000 0.743 464 K HN 0.262 nan 8.250 nan 0.000 0.458 465 K N -0.015 120.251 120.400 -0.225 0.000 2.262 465 K HA -0.021 4.294 4.320 -0.009 0.000 0.200 465 K C 1.770 178.317 176.600 -0.088 0.000 1.049 465 K CA 1.345 57.554 56.287 -0.130 0.000 0.979 465 K CB 0.493 32.925 32.500 -0.113 0.000 0.773 465 K HN 0.245 nan 8.250 nan 0.000 0.474 466 T N -1.744 112.747 114.554 -0.105 0.000 3.216 466 T HA 0.111 4.456 4.350 -0.009 0.000 0.167 466 T C 1.642 176.304 174.700 -0.063 0.000 0.905 466 T CA -0.453 61.601 62.100 -0.075 0.000 1.042 466 T CB -0.378 68.439 68.868 -0.084 0.000 1.787 466 T HN -0.224 nan 8.240 nan 0.000 0.355 467 I N 1.404 121.880 120.570 -0.155 0.000 2.181 467 I HA -0.116 4.049 4.170 -0.009 0.000 0.247 467 I C 1.684 177.794 176.117 -0.011 0.000 1.081 467 I CA 1.945 63.107 61.300 -0.230 0.000 1.340 467 I CB -1.343 36.283 38.000 -0.622 0.000 1.036 467 I HN 0.404 nan 8.210 nan 0.000 0.417 468 F N -0.094 119.922 119.950 0.110 0.000 2.735 468 F HA 0.178 4.700 4.527 -0.009 0.000 0.304 468 F C 1.917 177.791 175.800 0.124 0.000 1.119 468 F CA -0.490 57.647 58.000 0.228 0.000 1.280 468 F CB 0.118 39.241 39.000 0.205 0.000 0.994 468 F HN -0.055 nan 8.300 nan 0.000 0.520 469 K N 1.109 121.618 120.400 0.183 0.000 2.059 469 K HA -0.230 4.085 4.320 -0.009 0.000 0.212 469 K C 1.351 178.004 176.600 0.089 0.000 1.050 469 K CA 2.294 58.633 56.287 0.086 0.000 0.927 469 K CB -0.028 32.491 32.500 0.031 0.000 0.714 469 K HN 0.158 nan 8.250 nan 0.000 0.447 470 D N -0.096 120.330 120.400 0.044 0.000 2.104 470 D HA -0.174 4.461 4.640 -0.009 0.000 0.194 470 D C 1.853 178.064 176.300 -0.148 0.000 0.994 470 D CA 1.361 55.260 54.000 -0.169 0.000 0.830 470 D CB -0.369 40.224 40.800 -0.346 0.000 0.959 470 D HN 0.253 nan 8.370 nan 0.000 0.452 471 F N -0.128 119.897 119.950 0.124 0.000 2.186 471 F HA -0.156 4.366 4.527 -0.009 0.000 0.299 471 F C 2.363 178.319 175.800 0.259 0.000 1.090 471 F CA 0.538 58.690 58.000 0.254 0.000 1.307 471 F CB -0.702 38.512 39.000 0.356 0.000 1.019 471 F HN -0.027 nan 8.300 nan 0.000 0.489 472 Y N 1.374 121.652 120.300 -0.037 0.000 2.181 472 Y HA -0.209 4.336 4.550 -0.008 0.000 0.288 472 Y C 2.155 178.058 175.900 0.006 0.000 1.146 472 Y CA 1.618 59.517 58.100 -0.334 0.000 1.164 472 Y CB -0.682 37.403 38.460 -0.626 0.000 0.982 472 Y HN 0.141 nan 8.280 nan 0.000 0.515 473 E N -0.500 119.653 120.200 -0.079 0.000 2.110 473 E HA -0.201 4.144 4.350 -0.009 0.000 0.193 473 E C 2.006 178.662 176.600 0.094 0.000 0.988 473 E CA 1.217 57.576 56.400 -0.068 0.000 0.804 473 E CB -0.275 29.420 29.700 -0.008 0.000 0.745 473 E HN 0.428 nan 8.360 nan 0.000 0.458 474 L N 0.918 122.242 121.223 0.170 0.000 2.068 474 L HA -0.048 4.287 4.340 -0.009 0.000 0.204 474 L C 0.255 177.232 176.870 0.178 0.000 1.076 474 L CA 1.691 56.669 54.840 0.229 0.000 0.753 474 L CB 0.357 42.547 42.059 0.219 0.000 0.910 474 L HN -0.100 nan 8.230 nan 0.000 0.439 475 E N 0.088 120.399 120.200 0.185 0.000 3.374 475 E HA 0.181 4.526 4.350 -0.009 0.000 0.223 475 E C -1.975 174.618 176.600 -0.012 0.000 1.210 475 E CA -1.266 55.170 56.400 0.060 0.000 0.987 475 E CB 0.739 30.433 29.700 -0.010 0.000 1.322 475 E HN 0.221 nan 8.360 nan 0.000 0.404 476 P HA -0.259 nan 4.420 nan 0.000 0.217 476 P C 1.188 178.620 177.300 0.220 0.000 1.148 476 P CA 1.444 64.509 63.100 -0.058 0.000 0.828 476 P CB -0.018 31.504 31.700 -0.297 0.000 0.783 477 H N 0.390 119.566 119.070 0.178 0.000 2.456 477 H HA 0.037 4.588 4.556 -0.009 0.000 0.296 477 H C 1.515 176.927 175.328 0.140 0.000 1.079 477 H CA 0.893 57.030 56.048 0.149 0.000 1.322 477 H CB -0.840 28.980 29.762 0.097 0.000 1.388 477 H HN 0.173 nan 8.280 nan 0.000 0.538 478 K N 0.357 120.601 120.400 -0.261 0.000 2.155 478 K HA 0.015 4.330 4.320 -0.009 0.000 0.203 478 K C -0.035 176.377 176.600 -0.312 0.000 1.052 478 K CA 0.317 56.431 56.287 -0.288 0.000 0.948 478 K CB 0.010 32.214 32.500 -0.494 0.000 0.728 478 K HN 0.108 nan 8.250 nan 0.000 0.448 479 F N 2.031 122.007 119.950 0.043 0.000 2.472 479 F HA 0.123 4.645 4.527 -0.009 0.000 0.364 479 F C 0.605 176.406 175.800 0.002 0.000 1.090 479 F CA 0.040 58.068 58.000 0.046 0.000 1.188 479 F CB 0.686 39.769 39.000 0.138 0.000 1.105 479 F HN -0.064 nan 8.300 nan 0.000 0.536 480 Q N 1.817 121.637 119.800 0.034 0.000 2.683 480 Q HA 0.386 4.720 4.340 -0.009 0.000 0.302 480 Q C -1.147 174.808 176.000 -0.075 0.000 1.042 480 Q CA -1.296 54.485 55.803 -0.037 0.000 0.773 480 Q CB 3.063 31.726 28.738 -0.125 0.000 1.508 480 Q HN 0.631 nan 8.270 nan 0.000 0.459 481 N N 0.537 119.173 118.700 -0.107 0.000 2.238 481 N HA 0.281 5.016 4.740 -0.009 0.000 0.302 481 N C -1.557 173.851 175.510 -0.169 0.000 1.072 481 N CA -0.407 52.578 53.050 -0.109 0.000 0.792 481 N CB 1.200 39.647 38.487 -0.067 0.000 1.425 481 N HN 0.289 nan 8.380 nan 0.000 0.478 482 K N 2.728 123.031 120.400 -0.162 0.000 2.756 482 K HA 0.182 4.497 4.320 -0.009 0.000 0.218 482 K C -0.958 175.649 176.600 0.012 0.000 1.057 482 K CA -0.467 55.698 56.287 -0.204 0.000 1.056 482 K CB 1.142 33.286 32.500 -0.593 0.000 1.235 482 K HN 0.556 nan 8.250 nan 0.000 0.547 483 T N 1.979 116.558 114.554 0.042 0.000 2.908 483 T HA 0.038 4.383 4.350 -0.009 0.000 0.301 483 T C 0.815 175.645 174.700 0.217 0.000 1.019 483 T CA 0.424 62.602 62.100 0.129 0.000 1.152 483 T CB 0.281 69.227 68.868 0.130 0.000 0.966 483 T HN 0.350 nan 8.240 nan 0.000 0.540 484 N N 0.585 119.436 118.700 0.252 0.000 2.267 484 N HA 0.407 5.142 4.740 -0.009 0.000 0.226 484 N C 0.490 176.192 175.510 0.321 0.000 1.314 484 N CA -0.167 53.067 53.050 0.307 0.000 0.887 484 N CB 0.384 38.990 38.487 0.199 0.000 1.120 484 N HN 0.765 nan 8.380 nan 0.000 0.440 485 G N -0.690 108.309 108.800 0.331 0.000 2.645 485 G HA2 0.595 4.550 3.960 -0.009 0.000 0.292 485 G HA3 0.595 4.550 3.960 -0.009 0.000 0.292 485 G C -1.446 173.597 174.900 0.239 0.000 1.415 485 G CA -0.735 44.545 45.100 0.300 0.000 0.785 485 G HN 0.598 nan 8.290 nan 0.000 0.483 486 I N -2.381 118.315 120.570 0.209 0.000 2.828 486 I HA 0.754 4.919 4.170 -0.009 0.000 0.302 486 I C -0.309 175.973 176.117 0.275 0.000 1.101 486 I CA -0.947 60.473 61.300 0.201 0.000 1.031 486 I CB 2.446 40.462 38.000 0.027 0.000 1.231 486 I HN 0.511 nan 8.210 nan 0.000 0.427 487 T N 4.264 119.031 114.554 0.355 0.000 2.761 487 T HA 0.358 4.703 4.350 -0.009 0.000 0.296 487 T C -1.374 173.441 174.700 0.192 0.000 0.934 487 T CA -1.651 60.578 62.100 0.214 0.000 1.091 487 T CB 0.765 69.707 68.868 0.122 0.000 0.896 487 T HN 0.643 nan 8.240 nan 0.000 0.515 488 P HA 0.028 nan 4.420 nan 0.000 0.237 488 P C 1.034 178.300 177.300 -0.057 0.000 1.178 488 P CA 0.308 63.444 63.100 0.060 0.000 0.766 488 P CB 0.383 32.104 31.700 0.035 0.000 0.876 489 R N 0.503 120.925 120.500 -0.131 0.000 2.056 489 R HA 0.022 4.356 4.340 -0.009 0.000 0.227 489 R C 2.719 178.896 176.300 -0.204 0.000 1.149 489 R CA 1.516 57.498 56.100 -0.197 0.000 0.937 489 R CB -1.220 28.971 30.300 -0.181 0.000 0.835 489 R HN 0.040 nan 8.270 nan 0.000 0.430 490 R N -0.770 119.548 120.500 -0.304 0.000 2.075 490 R HA -0.116 4.219 4.340 -0.009 0.000 0.232 490 R C 1.072 176.978 176.300 -0.656 0.000 1.126 490 R CA 1.601 57.360 56.100 -0.568 0.000 0.963 490 R CB -0.186 29.598 30.300 -0.860 0.000 0.858 490 R HN 0.290 nan 8.270 nan 0.000 0.435 491 W N -0.077 121.181 121.300 -0.071 0.000 3.405 491 W HA 0.141 4.795 4.660 -0.009 0.000 0.300 491 W C 0.933 177.422 176.519 -0.051 0.000 1.286 491 W CA -0.651 56.651 57.345 -0.072 0.000 1.762 491 W CB 0.370 29.791 29.460 -0.065 0.000 1.087 491 W HN 0.238 nan 8.180 nan 0.000 0.703 492 L N -2.415 118.853 121.223 0.075 0.000 2.604 492 L HA 0.169 4.504 4.340 -0.009 0.000 0.150 492 L C 1.776 178.661 176.870 0.025 0.000 1.292 492 L CA 0.708 55.595 54.840 0.079 0.000 0.977 492 L CB -0.870 41.264 42.059 0.125 0.000 1.943 492 L HN -0.263 nan 8.230 nan 0.000 0.508 493 V N 1.299 121.207 119.914 -0.011 0.000 2.287 493 V HA -0.290 3.825 4.120 -0.009 0.000 0.248 493 V C 2.446 178.513 176.094 -0.046 0.000 1.053 493 V CA 2.575 64.860 62.300 -0.026 0.000 1.027 493 V CB -0.729 31.051 31.823 -0.072 0.000 0.646 493 V HN 0.527 nan 8.190 nan 0.000 0.447 494 L N 0.461 121.625 121.223 -0.098 0.000 2.023 494 L HA -0.180 4.155 4.340 -0.009 0.000 0.205 494 L C 2.493 179.296 176.870 -0.112 0.000 1.073 494 L CA 2.393 57.160 54.840 -0.122 0.000 0.745 494 L CB -0.272 41.664 42.059 -0.204 0.000 0.900 494 L HN 0.658 nan 8.230 nan 0.000 0.435 495 C N -1.740 117.485 119.300 -0.126 0.000 2.563 495 C HA 0.195 4.650 4.460 -0.009 0.000 0.268 495 C C 1.218 176.189 174.990 -0.032 0.000 1.365 495 C CA -0.288 58.677 59.018 -0.089 0.000 1.754 495 C CB -1.045 26.638 27.740 -0.095 0.000 1.932 495 C HN 0.592 nan 8.230 nan 0.000 0.536 496 N N 1.267 119.961 118.700 -0.011 0.000 2.733 496 N HA 0.275 5.010 4.740 -0.009 0.000 0.271 496 N C -1.624 173.898 175.510 0.020 0.000 1.720 496 N CA -1.681 51.375 53.050 0.011 0.000 0.803 496 N CB 0.757 39.260 38.487 0.026 0.000 1.208 496 N HN 0.257 nan 8.380 nan 0.000 0.498 497 P HA -0.088 nan 4.420 nan 0.000 0.215 497 P C 1.415 178.732 177.300 0.028 0.000 1.153 497 P CA 1.103 64.215 63.100 0.019 0.000 0.853 497 P CB 0.183 31.887 31.700 0.007 0.000 0.788 498 G N 0.487 109.298 108.800 0.019 0.000 2.440 498 G HA2 -0.254 3.701 3.960 -0.009 0.000 0.218 498 G HA3 -0.254 3.701 3.960 -0.009 0.000 0.218 498 G C 1.555 176.466 174.900 0.017 0.000 1.154 498 G CA 0.813 45.922 45.100 0.015 0.000 0.767 498 G HN 0.278 nan 8.290 nan 0.000 0.552 499 L N 1.088 122.323 121.223 0.021 0.000 2.095 499 L HA 0.349 4.684 4.340 -0.009 0.000 0.204 499 L C 3.005 179.910 176.870 0.057 0.000 1.080 499 L CA 1.915 56.767 54.840 0.020 0.000 0.759 499 L CB -0.710 41.361 42.059 0.019 0.000 0.914 499 L HN 0.205 nan 8.230 nan 0.000 0.439 500 A N -0.689 122.186 122.820 0.092 0.000 1.940 500 A HA -0.238 4.077 4.320 -0.009 0.000 0.219 500 A C 2.222 179.906 177.584 0.167 0.000 1.176 500 A CA 1.765 53.910 52.037 0.180 0.000 0.631 500 A CB -0.632 18.466 19.000 0.163 0.000 0.814 500 A HN 0.544 nan 8.150 nan 0.000 0.446 501 E N 0.749 121.007 120.200 0.097 0.000 2.028 501 E HA -0.158 4.187 4.350 -0.009 0.000 0.191 501 E C 1.853 178.494 176.600 0.068 0.000 0.988 501 E CA 1.607 58.053 56.400 0.077 0.000 0.799 501 E CB -0.523 29.204 29.700 0.045 0.000 0.755 501 E HN 0.733 nan 8.360 nan 0.000 0.447 502 I N -1.720 118.886 120.570 0.060 0.000 2.567 502 I HA -0.118 4.047 4.170 -0.009 0.000 0.257 502 I C 2.044 178.238 176.117 0.129 0.000 1.184 502 I CA 1.041 62.391 61.300 0.083 0.000 1.451 502 I CB -0.292 37.743 38.000 0.059 0.000 1.089 502 I HN 0.031 nan 8.210 nan 0.000 0.441 503 I N 1.729 122.348 120.570 0.080 0.000 2.277 503 I HA -0.104 4.061 4.170 -0.009 0.000 0.243 503 I C 3.007 179.075 176.117 -0.082 0.000 1.094 503 I CA 1.092 62.367 61.300 -0.041 0.000 1.393 503 I CB -0.408 37.453 38.000 -0.233 0.000 1.078 503 I HN 0.268 nan 8.210 nan 0.000 0.417 504 A N 0.660 123.523 122.820 0.070 0.000 1.908 504 A HA -0.242 4.072 4.320 -0.009 0.000 0.218 504 A C 2.138 179.751 177.584 0.048 0.000 1.181 504 A CA 1.712 53.841 52.037 0.153 0.000 0.627 504 A CB -0.653 18.467 19.000 0.199 0.000 0.818 504 A HN 0.438 nan 8.150 nan 0.000 0.445 505 E N -0.763 119.448 120.200 0.017 0.000 2.219 505 E HA -0.214 4.131 4.350 -0.009 0.000 0.198 505 E C 2.182 178.742 176.600 -0.067 0.000 0.998 505 E CA 1.175 57.569 56.400 -0.011 0.000 0.818 505 E CB -0.058 29.640 29.700 -0.004 0.000 0.741 505 E HN 0.506 nan 8.360 nan 0.000 0.477 506 R N 0.081 120.486 120.500 -0.158 0.000 2.123 506 R HA 0.099 4.434 4.340 -0.009 0.000 0.209 506 R C 2.280 178.496 176.300 -0.140 0.000 1.078 506 R CA 0.795 56.722 56.100 -0.288 0.000 1.028 506 R CB -0.189 29.628 30.300 -0.805 0.000 0.939 506 R HN 0.306 nan 8.270 nan 0.000 0.463 507 I N -2.771 117.737 120.570 -0.104 0.000 4.081 507 I HA 0.449 4.614 4.170 -0.009 0.000 0.333 507 I C 0.365 176.523 176.117 0.068 0.000 1.413 507 I CA 0.016 61.312 61.300 -0.007 0.000 1.110 507 I CB 0.795 38.779 38.000 -0.027 0.000 1.082 507 I HN 0.175 nan 8.210 nan 0.000 0.402 508 G N 2.239 111.089 108.800 0.082 0.000 2.698 508 G HA2 -0.206 3.749 3.960 -0.009 0.000 0.225 508 G HA3 -0.206 3.749 3.960 -0.009 0.000 0.225 508 G C -0.099 174.934 174.900 0.223 0.000 1.345 508 G CA 0.109 45.281 45.100 0.119 0.000 0.871 508 G HN 0.464 nan 8.290 nan 0.000 0.540 509 E N -0.078 120.207 120.200 0.141 0.000 2.481 509 E HA 0.158 4.503 4.350 -0.009 0.000 0.198 509 E C 1.726 178.291 176.600 -0.058 0.000 1.027 509 E CA 0.388 56.820 56.400 0.053 0.000 0.900 509 E CB 0.367 30.083 29.700 0.026 0.000 0.993 509 E HN 0.516 nan 8.360 nan 0.000 0.482 510 E N 0.403 120.633 120.200 0.050 0.000 2.204 510 E HA -0.212 4.133 4.350 -0.009 0.000 0.195 510 E C 1.588 178.183 176.600 -0.009 0.000 0.990 510 E CA 1.002 57.419 56.400 0.028 0.000 0.821 510 E CB -0.453 29.286 29.700 0.064 0.000 0.750 510 E HN 0.543 nan 8.360 nan 0.000 0.477 511 Y N -0.632 119.672 120.300 0.007 0.000 2.333 511 Y HA -0.061 4.485 4.550 -0.007 0.000 0.290 511 Y C 1.752 177.627 175.900 -0.042 0.000 1.144 511 Y CA 0.666 58.761 58.100 -0.008 0.000 1.228 511 Y CB -0.651 37.809 38.460 0.001 0.000 0.985 511 Y HN -0.033 nan 8.280 nan 0.000 0.542 512 I N 0.980 121.013 120.570 -0.895 0.000 2.423 512 I HA -0.259 3.905 4.170 -0.009 0.000 0.254 512 I C 1.695 177.530 176.117 -0.470 0.000 1.151 512 I CA 1.929 62.773 61.300 -0.760 0.000 1.421 512 I CB -0.401 37.080 38.000 -0.864 0.000 1.079 512 I HN 0.514 nan 8.210 nan 0.000 0.431 513 S N -2.200 113.335 115.700 -0.275 0.000 2.749 513 S HA 0.174 4.639 4.470 -0.009 0.000 0.246 513 S C 0.137 174.712 174.600 -0.041 0.000 1.023 513 S CA -0.499 57.622 58.200 -0.132 0.000 1.012 513 S CB 0.384 63.581 63.200 -0.004 0.000 0.942 513 S HN 0.288 nan 8.310 nan 0.000 0.531 514 D N 0.690 121.075 120.400 -0.025 0.000 3.118 514 D HA 0.214 4.849 4.640 -0.009 0.000 0.259 514 D C 0.421 176.761 176.300 0.066 0.000 1.292 514 D CA -0.368 53.645 54.000 0.022 0.000 0.784 514 D CB 0.331 41.150 40.800 0.033 0.000 1.413 514 D HN 0.105 nan 8.370 nan 0.000 0.583 515 L N 1.107 122.370 121.223 0.066 0.000 2.261 515 L HA -0.065 4.269 4.340 -0.009 0.000 0.216 515 L C 1.464 178.389 176.870 0.092 0.000 1.114 515 L CA 1.660 56.572 54.840 0.120 0.000 0.777 515 L CB -0.108 42.012 42.059 0.101 0.000 0.910 515 L HN 0.285 nan 8.230 nan 0.000 0.440 516 D N -0.874 119.554 120.400 0.048 0.000 2.265 516 D HA -0.215 4.420 4.640 -0.009 0.000 0.208 516 D C 1.922 178.245 176.300 0.037 0.000 0.977 516 D CA 0.830 54.843 54.000 0.022 0.000 0.871 516 D CB 0.053 40.853 40.800 -0.000 0.000 0.925 516 D HN 0.562 nan 8.370 nan 0.000 0.485 517 Q N 0.021 119.861 119.800 0.068 0.000 2.364 517 Q HA -0.056 4.279 4.340 -0.009 0.000 0.209 517 Q C 2.254 178.277 176.000 0.038 0.000 0.977 517 Q CA 0.232 56.075 55.803 0.068 0.000 0.885 517 Q CB 0.005 28.812 28.738 0.116 0.000 0.941 517 Q HN 0.386 nan 8.270 nan 0.000 0.464 518 L N 0.235 121.476 121.223 0.029 0.000 2.349 518 L HA -0.189 4.146 4.340 -0.009 0.000 0.220 518 L C 2.296 179.166 176.870 -0.001 0.000 1.130 518 L CA 0.611 55.434 54.840 -0.028 0.000 0.791 518 L CB -0.362 41.694 42.059 -0.006 0.000 0.918 518 L HN 0.204 nan 8.230 nan 0.000 0.444 519 R N 0.709 121.217 120.500 0.013 0.000 2.117 519 R HA -0.181 4.154 4.340 -0.009 0.000 0.243 519 R C 2.017 178.323 176.300 0.010 0.000 1.143 519 R CA 1.195 57.302 56.100 0.012 0.000 0.968 519 R CB -0.412 29.891 30.300 0.004 0.000 0.863 519 R HN 0.430 nan 8.270 nan 0.000 0.444 520 K N 0.652 121.059 120.400 0.011 0.000 2.360 520 K HA -0.092 4.223 4.320 -0.009 0.000 0.201 520 K C 1.970 178.608 176.600 0.064 0.000 1.046 520 K CA 0.742 57.040 56.287 0.020 0.000 0.940 520 K CB -0.145 32.376 32.500 0.035 0.000 0.748 520 K HN 0.200 nan 8.250 nan 0.000 0.465 521 L N 0.640 121.897 121.223 0.057 0.000 2.376 521 L HA -0.102 4.233 4.340 -0.009 0.000 0.219 521 L C 1.949 178.891 176.870 0.121 0.000 1.133 521 L CA 0.443 55.344 54.840 0.102 0.000 0.816 521 L CB -0.265 41.819 42.059 0.042 0.000 0.933 521 L HN 0.204 nan 8.230 nan 0.000 0.449 522 L N -0.292 120.961 121.223 0.050 0.000 2.191 522 L HA -0.173 4.162 4.340 -0.009 0.000 0.212 522 L C 2.500 179.350 176.870 -0.033 0.000 1.103 522 L CA 1.374 56.229 54.840 0.025 0.000 0.769 522 L CB -0.437 41.624 42.059 0.002 0.000 0.908 522 L HN 0.387 nan 8.230 nan 0.000 0.438 523 S N -1.989 113.629 115.700 -0.137 0.000 2.660 523 S HA -0.063 4.402 4.470 -0.009 0.000 0.223 523 S C 0.932 175.245 174.600 -0.478 0.000 0.963 523 S CA 0.205 58.221 58.200 -0.308 0.000 0.932 523 S CB -0.311 62.642 63.200 -0.412 0.000 0.775 523 S HN 0.434 nan 8.310 nan 0.000 0.531 524 Y N -0.691 119.551 120.300 -0.097 0.000 2.527 524 Y HA 0.418 4.966 4.550 -0.004 0.000 0.247 524 Y C 1.874 177.813 175.900 0.065 0.000 1.138 524 Y CA -0.681 57.360 58.100 -0.099 0.000 1.228 524 Y CB 0.142 38.355 38.460 -0.411 0.000 1.252 524 Y HN 0.258 nan 8.280 nan 0.000 0.531 525 V N 0.492 120.504 119.914 0.163 0.000 2.568 525 V HA -0.226 3.889 4.120 -0.009 0.000 0.253 525 V C 1.008 177.177 176.094 0.124 0.000 1.072 525 V CA 2.374 64.768 62.300 0.157 0.000 1.084 525 V CB 0.001 31.875 31.823 0.085 0.000 0.676 525 V HN 0.340 nan 8.190 nan 0.000 0.469 526 D N -0.752 119.702 120.400 0.090 0.000 2.398 526 D HA 0.104 4.739 4.640 -0.009 0.000 0.210 526 D C 0.357 176.711 176.300 0.090 0.000 1.094 526 D CA -0.004 54.037 54.000 0.069 0.000 0.839 526 D CB 0.092 40.910 40.800 0.029 0.000 0.963 526 D HN 0.445 nan 8.370 nan 0.000 0.506 527 D N 1.577 122.066 120.400 0.149 0.000 2.344 527 D HA -0.035 4.600 4.640 -0.009 0.000 0.253 527 D C 1.250 177.656 176.300 0.176 0.000 1.255 527 D CA 0.009 54.116 54.000 0.179 0.000 0.894 527 D CB 1.410 42.388 40.800 0.296 0.000 1.067 527 D HN -0.201 nan 8.370 nan 0.000 0.492 528 E N 3.432 123.701 120.200 0.114 0.000 2.160 528 E HA -0.177 4.168 4.350 -0.009 0.000 0.195 528 E C 1.662 178.317 176.600 0.091 0.000 0.991 528 E CA 1.526 57.977 56.400 0.086 0.000 0.810 528 E CB -0.041 29.693 29.700 0.056 0.000 0.742 528 E HN 0.577 nan 8.360 nan 0.000 0.466 529 A N -0.296 122.593 122.820 0.114 0.000 1.855 529 A HA -0.126 4.189 4.320 -0.009 0.000 0.215 529 A C 2.260 179.929 177.584 0.142 0.000 1.191 529 A CA 1.320 53.421 52.037 0.106 0.000 0.613 529 A CB -1.036 18.026 19.000 0.105 0.000 0.829 529 A HN 0.445 nan 8.150 nan 0.000 0.442 530 F N 0.505 120.461 119.950 0.010 0.000 2.102 530 F HA -0.190 4.333 4.527 -0.007 0.000 0.298 530 F C 2.107 177.907 175.800 -0.000 0.000 1.105 530 F CA 1.711 59.699 58.000 -0.019 0.000 1.239 530 F CB -0.130 38.861 39.000 -0.015 0.000 0.991 530 F HN 0.167 nan 8.300 nan 0.000 0.474 531 I N 0.204 120.813 120.570 0.064 0.000 2.194 531 I HA -0.381 3.784 4.170 -0.009 0.000 0.246 531 I C 2.570 178.636 176.117 -0.086 0.000 1.093 531 I CA 1.790 63.067 61.300 -0.038 0.000 1.355 531 I CB -0.528 37.496 38.000 0.041 0.000 1.046 531 I HN 0.145 nan 8.210 nan 0.000 0.413 532 R N 0.821 121.297 120.500 -0.041 0.000 2.092 532 R HA -0.171 4.164 4.340 -0.009 0.000 0.231 532 R C 1.881 178.132 176.300 -0.082 0.000 1.119 532 R CA 1.688 57.760 56.100 -0.046 0.000 0.970 532 R CB -0.092 30.200 30.300 -0.014 0.000 0.864 532 R HN 0.297 nan 8.270 nan 0.000 0.440 533 D N -0.230 120.104 120.400 -0.111 0.000 2.117 533 D HA -0.118 4.517 4.640 -0.009 0.000 0.198 533 D C 1.941 178.117 176.300 -0.208 0.000 0.982 533 D CA 1.214 55.134 54.000 -0.132 0.000 0.828 533 D CB -0.135 40.605 40.800 -0.100 0.000 0.967 533 D HN 0.085 nan 8.370 nan 0.000 0.464 534 V N 1.649 121.342 119.914 -0.367 0.000 2.287 534 V HA -0.259 3.856 4.120 -0.009 0.000 0.248 534 V C 2.553 178.551 176.094 -0.160 0.000 1.053 534 V CA 1.966 64.060 62.300 -0.344 0.000 1.027 534 V CB -0.804 30.739 31.823 -0.467 0.000 0.646 534 V HN 0.185 nan 8.190 nan 0.000 0.447 535 A N -0.749 121.998 122.820 -0.122 0.000 1.969 535 A HA -0.230 4.085 4.320 -0.009 0.000 0.218 535 A C 2.351 179.897 177.584 -0.064 0.000 1.169 535 A CA 1.982 53.980 52.037 -0.065 0.000 0.635 535 A CB -0.434 18.533 19.000 -0.056 0.000 0.810 535 A HN 0.525 nan 8.150 nan 0.000 0.445 536 K N -0.242 120.116 120.400 -0.071 0.000 2.057 536 K HA -0.058 4.257 4.320 -0.009 0.000 0.206 536 K C 1.822 178.395 176.600 -0.045 0.000 1.050 536 K CA 1.405 57.660 56.287 -0.053 0.000 0.935 536 K CB -0.223 32.249 32.500 -0.047 0.000 0.715 536 K HN 0.229 nan 8.250 nan 0.000 0.439 537 V N 1.805 121.687 119.914 -0.055 0.000 2.332 537 V HA -0.256 3.859 4.120 -0.009 0.000 0.248 537 V C 2.367 178.446 176.094 -0.024 0.000 1.055 537 V CA 1.979 64.257 62.300 -0.037 0.000 1.038 537 V CB -0.442 31.352 31.823 -0.048 0.000 0.651 537 V HN 0.341 nan 8.190 nan 0.000 0.450 538 K N 0.436 120.819 120.400 -0.028 0.000 2.026 538 K HA -0.224 4.091 4.320 -0.009 0.000 0.208 538 K C 2.172 178.747 176.600 -0.042 0.000 1.048 538 K CA 1.809 58.086 56.287 -0.017 0.000 0.929 538 K CB -0.530 31.973 32.500 0.005 0.000 0.713 538 K HN 0.375 nan 8.250 nan 0.000 0.439 539 Q N 1.025 120.793 119.800 -0.054 0.000 2.096 539 Q HA -0.133 4.202 4.340 -0.009 0.000 0.204 539 Q C 1.677 177.656 176.000 -0.034 0.000 0.982 539 Q CA 2.024 57.786 55.803 -0.068 0.000 0.850 539 Q CB -0.096 28.606 28.738 -0.060 0.000 0.901 539 Q HN 0.519 nan 8.270 nan 0.000 0.422 540 E N -0.538 119.653 120.200 -0.014 0.000 2.077 540 E HA -0.159 4.186 4.350 -0.009 0.000 0.193 540 E C 1.785 178.408 176.600 0.038 0.000 0.989 540 E CA 0.981 57.388 56.400 0.012 0.000 0.800 540 E CB -0.095 29.610 29.700 0.009 0.000 0.746 540 E HN 0.419 nan 8.360 nan 0.000 0.452 541 N N 1.132 119.851 118.700 0.033 0.000 2.120 541 N HA -0.148 4.587 4.740 -0.009 0.000 0.188 541 N C 1.562 177.150 175.510 0.130 0.000 1.024 541 N CA 1.113 54.203 53.050 0.068 0.000 0.852 541 N CB -0.135 38.377 38.487 0.042 0.000 1.003 541 N HN 0.145 nan 8.380 nan 0.000 0.424 542 K N 0.638 121.078 120.400 0.066 0.000 2.057 542 K HA -0.009 4.306 4.320 -0.009 0.000 0.207 542 K C 2.153 178.876 176.600 0.206 0.000 1.049 542 K CA 0.715 57.057 56.287 0.093 0.000 0.931 542 K CB -0.181 32.106 32.500 -0.355 0.000 0.714 542 K HN 0.115 nan 8.250 nan 0.000 0.440 543 L N 1.083 122.370 121.223 0.106 0.000 2.056 543 L HA -0.172 4.163 4.340 -0.009 0.000 0.207 543 L C 2.624 179.588 176.870 0.157 0.000 1.078 543 L CA 1.043 55.953 54.840 0.116 0.000 0.749 543 L CB -0.367 41.731 42.059 0.066 0.000 0.901 543 L HN 0.098 nan 8.230 nan 0.000 0.433 544 K N 0.024 120.521 120.400 0.162 0.000 2.063 544 K HA -0.223 4.092 4.320 -0.009 0.000 0.208 544 K C 2.155 178.911 176.600 0.260 0.000 1.048 544 K CA 1.766 58.159 56.287 0.177 0.000 0.928 544 K CB -0.359 32.232 32.500 0.151 0.000 0.713 544 K HN 0.139 nan 8.250 nan 0.000 0.442 545 F N 1.071 121.115 119.950 0.157 0.000 2.206 545 F HA -0.015 4.507 4.527 -0.008 0.000 0.298 545 F C 2.063 178.004 175.800 0.235 0.000 1.090 545 F CA 1.105 59.216 58.000 0.184 0.000 1.323 545 F CB -0.452 38.656 39.000 0.181 0.000 1.028 545 F HN 0.042 nan 8.300 nan 0.000 0.492 546 A N 0.257 123.221 122.820 0.239 0.000 1.978 546 A HA -0.072 4.243 4.320 -0.009 0.000 0.220 546 A C 2.394 180.001 177.584 0.037 0.000 1.170 546 A CA 1.791 53.896 52.037 0.113 0.000 0.636 546 A CB -1.437 17.689 19.000 0.212 0.000 0.810 546 A HN 0.455 nan 8.150 nan 0.000 0.448 547 A N -1.355 121.517 122.820 0.086 0.000 1.872 547 A HA -0.042 4.273 4.320 -0.009 0.000 0.214 547 A C 2.117 179.727 177.584 0.043 0.000 1.187 547 A CA 1.519 53.599 52.037 0.072 0.000 0.614 547 A CB -0.921 18.134 19.000 0.092 0.000 0.826 547 A HN 0.750 nan 8.150 nan 0.000 0.442 548 Y N 0.827 121.081 120.300 -0.076 0.000 2.151 548 Y HA -0.245 4.300 4.550 -0.008 0.000 0.284 548 Y C 1.904 177.720 175.900 -0.139 0.000 1.166 548 Y CA 1.978 60.017 58.100 -0.100 0.000 1.163 548 Y CB -0.395 38.013 38.460 -0.088 0.000 0.974 548 Y HN 0.216 nan 8.280 nan 0.000 0.511 549 L N 0.032 121.210 121.223 -0.075 0.000 2.127 549 L HA -0.231 4.104 4.340 -0.009 0.000 0.211 549 L C 2.347 179.182 176.870 -0.057 0.000 1.089 549 L CA 1.830 56.617 54.840 -0.088 0.000 0.757 549 L CB -0.498 41.437 42.059 -0.206 0.000 0.899 549 L HN 0.391 nan 8.230 nan 0.000 0.434 550 E N -0.561 119.605 120.200 -0.055 0.000 2.086 550 E HA -0.114 4.231 4.350 -0.009 0.000 0.190 550 E C 2.224 178.778 176.600 -0.075 0.000 0.975 550 E CA 0.329 56.718 56.400 -0.018 0.000 0.813 550 E CB 0.087 29.806 29.700 0.032 0.000 0.768 550 E HN 0.433 nan 8.360 nan 0.000 0.457 551 R N 1.306 121.724 120.500 -0.138 0.000 2.147 551 R HA -0.134 4.201 4.340 -0.009 0.000 0.225 551 R C 1.568 177.711 176.300 -0.261 0.000 1.120 551 R CA 1.459 57.451 56.100 -0.179 0.000 0.891 551 R CB -0.218 29.965 30.300 -0.195 0.000 0.822 551 R HN 0.122 nan 8.270 nan 0.000 0.433 552 E N -0.908 119.004 120.200 -0.481 0.000 2.368 552 E HA -0.017 4.328 4.350 -0.009 0.000 0.188 552 E C -0.272 175.858 176.600 -0.783 0.000 1.061 552 E CA 0.132 56.165 56.400 -0.611 0.000 0.933 552 E CB 0.530 29.772 29.700 -0.763 0.000 1.091 552 E HN 0.405 nan 8.360 nan 0.000 0.458 553 Y N -0.672 119.520 120.300 -0.180 0.000 2.772 553 Y HA 0.105 4.650 4.550 -0.009 0.000 0.287 553 Y C -0.117 175.753 175.900 -0.050 0.000 0.985 553 Y CA -0.788 57.258 58.100 -0.090 0.000 1.207 553 Y CB 0.793 39.206 38.460 -0.078 0.000 1.425 553 Y HN -0.200 nan 8.280 nan 0.000 0.587 554 K N 0.864 121.303 120.400 0.065 0.000 3.244 554 K HA -0.103 4.212 4.320 -0.009 0.000 0.270 554 K C -0.630 176.013 176.600 0.070 0.000 1.016 554 K CA 0.933 57.252 56.287 0.054 0.000 0.754 554 K CB -2.130 30.402 32.500 0.052 0.000 1.326 554 K HN 0.243 nan 8.250 nan 0.000 0.465 555 V N -1.924 118.028 119.914 0.064 0.000 2.638 555 V HA 0.574 4.689 4.120 -0.009 0.000 0.306 555 V C -0.205 175.931 176.094 0.071 0.000 1.052 555 V CA -1.051 61.283 62.300 0.057 0.000 0.885 555 V CB 2.159 33.994 31.823 0.020 0.000 0.999 555 V HN 0.373 nan 8.190 nan 0.000 0.424 556 H N 5.392 124.457 119.070 -0.009 0.000 2.458 556 H HA 0.841 5.392 4.556 -0.008 0.000 0.330 556 H C -0.395 174.929 175.328 -0.007 0.000 1.111 556 H CA -0.254 55.792 56.048 -0.003 0.000 1.245 556 H CB 1.571 31.337 29.762 0.007 0.000 1.456 556 H HN 1.030 nan 8.280 nan 0.000 0.488 557 I N 1.446 121.655 120.570 -0.602 0.000 2.969 557 I HA 0.435 4.600 4.170 -0.009 0.000 0.307 557 I C -0.997 174.879 176.117 -0.402 0.000 1.149 557 I CA -1.387 59.676 61.300 -0.394 0.000 1.008 557 I CB 2.288 40.171 38.000 -0.194 0.000 1.232 557 I HN 0.503 nan 8.210 nan 0.000 0.435 558 N N 4.420 123.032 118.700 -0.147 0.000 2.415 558 N HA 0.401 5.136 4.740 -0.009 0.000 0.246 558 N C -2.042 173.541 175.510 0.122 0.000 1.078 558 N CA -2.280 50.756 53.050 -0.024 0.000 0.942 558 N CB 1.032 39.525 38.487 0.010 0.000 1.140 558 N HN 0.360 nan 8.380 nan 0.000 0.501 559 P HA -0.057 nan 4.420 nan 0.000 0.226 559 P C 0.227 177.485 177.300 -0.070 0.000 1.146 559 P CA 0.885 64.021 63.100 0.059 0.000 0.773 559 P CB 0.272 32.000 31.700 0.046 0.000 0.772 560 N N -1.295 117.402 118.700 -0.004 0.000 2.373 560 N HA 0.010 4.745 4.740 -0.009 0.000 0.181 560 N C 0.629 176.152 175.510 0.021 0.000 1.082 560 N CA 0.351 53.396 53.050 -0.009 0.000 0.885 560 N CB -0.036 38.463 38.487 0.019 0.000 0.977 560 N HN 0.231 nan 8.380 nan 0.000 0.462 561 S N 0.412 116.132 115.700 0.033 0.000 2.614 561 S HA 0.263 4.727 4.470 -0.009 0.000 0.265 561 S C 0.294 174.839 174.600 -0.092 0.000 1.303 561 S CA -0.795 57.412 58.200 0.011 0.000 1.000 561 S CB 1.290 64.522 63.200 0.054 0.000 0.935 561 S HN 0.218 nan 8.310 nan 0.000 0.551 562 L N 1.862 122.875 121.223 -0.350 0.000 2.360 562 L HA 0.381 4.716 4.340 -0.009 0.000 0.276 562 L C -0.904 175.917 176.870 -0.082 0.000 1.121 562 L CA -0.587 53.839 54.840 -0.691 0.000 0.845 562 L CB -0.135 41.211 42.059 -1.189 0.000 1.143 562 L HN 0.711 nan 8.230 nan 0.000 0.452 563 F N 4.259 124.059 119.950 -0.250 0.000 2.405 563 F HA 0.097 4.620 4.527 -0.007 0.000 0.358 563 F C 0.416 176.138 175.800 -0.130 0.000 1.151 563 F CA -0.843 57.082 58.000 -0.125 0.000 1.161 563 F CB 0.552 39.531 39.000 -0.036 0.000 1.245 563 F HN 0.535 nan 8.300 nan 0.000 0.545 564 D N 4.964 125.358 120.400 -0.011 0.000 2.396 564 D HA 0.234 4.869 4.640 -0.009 0.000 0.225 564 D C -0.957 175.275 176.300 -0.112 0.000 1.121 564 D CA -0.045 53.905 54.000 -0.084 0.000 0.853 564 D CB 1.260 41.996 40.800 -0.108 0.000 1.043 564 D HN 0.264 nan 8.370 nan 0.000 0.500 565 V N 2.459 122.288 119.914 -0.141 0.000 2.680 565 V HA 0.596 4.711 4.120 -0.009 0.000 0.309 565 V C -1.305 174.630 176.094 -0.264 0.000 1.052 565 V CA -0.708 61.490 62.300 -0.170 0.000 0.908 565 V CB 1.924 33.701 31.823 -0.076 0.000 1.001 565 V HN 0.508 nan 8.190 nan 0.000 0.431 566 Q N 4.170 123.832 119.800 -0.230 0.000 2.490 566 Q HA 0.642 4.977 4.340 -0.009 0.000 0.255 566 Q C -1.455 174.375 176.000 -0.284 0.000 0.997 566 Q CA -0.618 55.037 55.803 -0.247 0.000 0.709 566 Q CB 1.852 30.474 28.738 -0.194 0.000 1.255 566 Q HN 1.176 nan 8.270 nan 0.000 0.486 567 V N 1.779 121.511 119.914 -0.304 0.000 2.487 567 V HA 0.872 4.987 4.120 -0.009 0.000 0.298 567 V C -0.830 174.964 176.094 -0.499 0.000 1.028 567 V CA -0.509 61.416 62.300 -0.625 0.000 0.860 567 V CB 1.252 32.481 31.823 -0.989 0.000 0.991 567 V HN 0.804 nan 8.190 nan 0.000 0.427 568 K N 2.548 122.694 120.400 -0.424 0.000 3.040 568 K HA 0.368 4.683 4.320 -0.009 0.000 0.300 568 K C -1.303 175.284 176.600 -0.021 0.000 1.092 568 K CA -1.132 55.098 56.287 -0.095 0.000 0.831 568 K CB 0.842 33.286 32.500 -0.093 0.000 1.469 568 K HN 0.476 nan 8.250 nan 0.000 0.365 569 R N 0.900 121.443 120.500 0.072 0.000 2.698 569 R HA 0.164 4.499 4.340 -0.009 0.000 0.266 569 R C 0.365 176.688 176.300 0.038 0.000 1.026 569 R CA -0.283 55.877 56.100 0.099 0.000 1.102 569 R CB -0.163 30.224 30.300 0.146 0.000 0.978 569 R HN 0.460 nan 8.270 nan 0.000 0.436 570 I N 3.574 124.181 120.570 0.061 0.000 2.436 570 I HA 0.120 4.285 4.170 -0.009 0.000 0.289 570 I C 0.491 176.607 176.117 -0.003 0.000 1.083 570 I CA 0.350 61.643 61.300 -0.011 0.000 1.372 570 I CB -0.372 37.610 38.000 -0.030 0.000 1.408 570 I HN 0.534 nan 8.210 nan 0.000 0.516 571 H N 3.518 122.496 119.070 -0.153 0.000 3.046 571 H HA 0.231 4.782 4.556 -0.008 0.000 0.363 571 H C 0.564 175.779 175.328 -0.189 0.000 1.203 571 H CA -0.467 55.543 56.048 -0.062 0.000 1.169 571 H CB 1.891 31.620 29.762 -0.056 0.000 1.851 571 H HN 0.575 nan 8.280 nan 0.000 0.546 572 E N 1.882 122.201 120.200 0.198 0.000 2.118 572 E HA -0.265 4.080 4.350 -0.009 0.000 0.195 572 E C 1.198 177.619 176.600 -0.299 0.000 0.992 572 E CA 1.617 58.069 56.400 0.086 0.000 0.804 572 E CB -0.044 29.876 29.700 0.366 0.000 0.741 572 E HN 0.636 nan 8.360 nan 0.000 0.458 573 Y N 0.956 120.817 120.300 -0.731 0.000 2.352 573 Y HA -0.001 4.543 4.550 -0.009 0.000 0.292 573 Y C 1.509 177.116 175.900 -0.487 0.000 1.136 573 Y CA 0.791 58.150 58.100 -1.236 0.000 1.227 573 Y CB -0.115 37.599 38.460 -1.243 0.000 0.991 573 Y HN -0.215 nan 8.280 nan 0.000 0.545 574 K N 0.839 120.745 120.400 -0.824 0.000 2.432 574 K HA 0.051 4.366 4.320 -0.009 0.000 0.196 574 K C 0.117 176.540 176.600 -0.295 0.000 1.038 574 K CA 0.475 56.411 56.287 -0.585 0.000 0.986 574 K CB -0.076 32.071 32.500 -0.588 0.000 0.782 574 K HN 0.276 nan 8.250 nan 0.000 0.485 575 R N 0.509 120.868 120.500 -0.236 0.000 3.333 575 R HA -0.239 4.096 4.340 -0.009 0.000 0.256 575 R C 0.284 176.507 176.300 -0.128 0.000 1.010 575 R CA 0.202 56.219 56.100 -0.139 0.000 0.680 575 R CB -1.767 28.468 30.300 -0.109 0.000 1.102 575 R HN 0.294 nan 8.270 nan 0.000 0.440 576 Q N 0.323 120.046 119.800 -0.128 0.000 2.234 576 Q HA -0.053 4.282 4.340 -0.009 0.000 0.206 576 Q C 2.011 177.964 176.000 -0.079 0.000 0.980 576 Q CA 1.379 57.119 55.803 -0.105 0.000 0.869 576 Q CB 0.026 28.706 28.738 -0.096 0.000 0.912 576 Q HN 0.590 nan 8.270 nan 0.000 0.436 577 L N -0.625 120.556 121.223 -0.071 0.000 2.131 577 L HA -0.174 4.161 4.340 -0.009 0.000 0.210 577 L C 1.979 178.852 176.870 0.005 0.000 1.092 577 L CA 0.491 55.303 54.840 -0.046 0.000 0.759 577 L CB -0.332 41.708 42.059 -0.031 0.000 0.903 577 L HN 0.305 nan 8.230 nan 0.000 0.435 578 L N -0.016 121.201 121.223 -0.010 0.000 2.093 578 L HA -0.218 4.117 4.340 -0.009 0.000 0.208 578 L C 2.023 178.947 176.870 0.091 0.000 1.085 578 L CA 1.862 56.709 54.840 0.012 0.000 0.755 578 L CB -0.795 41.159 42.059 -0.176 0.000 0.904 578 L HN 0.280 nan 8.230 nan 0.000 0.435 579 N N -1.679 117.040 118.700 0.032 0.000 2.120 579 N HA -0.233 4.502 4.740 -0.009 0.000 0.188 579 N C 1.946 177.537 175.510 0.136 0.000 1.024 579 N CA 1.576 54.722 53.050 0.160 0.000 0.852 579 N CB -0.144 38.366 38.487 0.037 0.000 1.003 579 N HN 0.487 nan 8.380 nan 0.000 0.424 580 C N 0.575 119.891 119.300 0.027 0.000 2.413 580 C HA -0.074 4.381 4.460 -0.009 0.000 0.276 580 C C 2.594 177.577 174.990 -0.011 0.000 1.248 580 C CA 0.403 59.391 59.018 -0.051 0.000 1.742 580 C CB -1.243 26.415 27.740 -0.137 0.000 2.017 580 C HN 0.512 nan 8.230 nan 0.000 0.481 581 L N -0.389 120.890 121.223 0.093 0.000 2.083 581 L HA -0.201 4.134 4.340 -0.009 0.000 0.209 581 L C 2.745 179.765 176.870 0.251 0.000 1.083 581 L CA 1.775 56.717 54.840 0.171 0.000 0.752 581 L CB -1.014 41.221 42.059 0.293 0.000 0.899 581 L HN 0.596 nan 8.230 nan 0.000 0.433 582 H N -0.140 119.036 119.070 0.176 0.000 2.357 582 H HA -0.123 4.428 4.556 -0.009 0.000 0.301 582 H C 2.233 177.546 175.328 -0.024 0.000 1.082 582 H CA 1.756 57.822 56.048 0.030 0.000 1.342 582 H CB 0.353 30.050 29.762 -0.108 0.000 1.389 582 H HN 0.096 nan 8.280 nan 0.000 0.511 583 V N 1.641 121.468 119.914 -0.144 0.000 2.287 583 V HA -0.283 3.832 4.120 -0.009 0.000 0.248 583 V C 2.823 178.840 176.094 -0.128 0.000 1.053 583 V CA 1.943 64.123 62.300 -0.201 0.000 1.027 583 V CB -0.519 31.231 31.823 -0.122 0.000 0.646 583 V HN 0.398 nan 8.190 nan 0.000 0.447 584 I N -0.223 120.308 120.570 -0.066 0.000 2.394 584 I HA -0.211 3.954 4.170 -0.009 0.000 0.251 584 I C 2.486 178.643 176.117 0.068 0.000 1.136 584 I CA 1.639 62.966 61.300 0.045 0.000 1.425 584 I CB -0.658 37.347 38.000 0.008 0.000 1.079 584 I HN 0.329 nan 8.210 nan 0.000 0.425 585 T N 1.192 115.744 114.554 -0.003 0.000 2.708 585 T HA -0.141 4.204 4.350 -0.009 0.000 0.266 585 T C 1.878 176.522 174.700 -0.094 0.000 1.037 585 T CA 1.186 63.278 62.100 -0.013 0.000 1.146 585 T CB -0.228 68.662 68.868 0.036 0.000 0.865 585 T HN 0.081 nan 8.240 nan 0.000 0.435 586 L N 0.117 121.214 121.223 -0.210 0.000 2.046 586 L HA -0.020 4.315 4.340 -0.009 0.000 0.208 586 L C 2.091 178.911 176.870 -0.083 0.000 1.077 586 L CA 1.579 56.294 54.840 -0.208 0.000 0.747 586 L CB -0.988 40.880 42.059 -0.319 0.000 0.896 586 L HN 0.365 nan 8.230 nan 0.000 0.432 587 Y N 0.133 120.360 120.300 -0.122 0.000 2.145 587 Y HA -0.279 4.265 4.550 -0.009 0.000 0.286 587 Y C 2.419 178.291 175.900 -0.047 0.000 1.145 587 Y CA 1.780 59.847 58.100 -0.055 0.000 1.148 587 Y CB -0.050 38.419 38.460 0.016 0.000 0.981 587 Y HN 0.279 nan 8.280 nan 0.000 0.507 588 N N 0.424 119.046 118.700 -0.129 0.000 2.188 588 N HA -0.128 4.607 4.740 -0.009 0.000 0.184 588 N C 1.799 177.186 175.510 -0.206 0.000 1.018 588 N CA 1.408 54.327 53.050 -0.218 0.000 0.858 588 N CB -0.352 38.071 38.487 -0.106 0.000 0.989 588 N HN 0.441 nan 8.380 nan 0.000 0.426 589 R N 0.418 120.827 120.500 -0.152 0.000 2.092 589 R HA 0.075 4.410 4.340 -0.009 0.000 0.231 589 R C 2.190 178.402 176.300 -0.148 0.000 1.119 589 R CA 0.703 56.725 56.100 -0.130 0.000 0.970 589 R CB -0.204 30.031 30.300 -0.109 0.000 0.864 589 R HN 0.248 nan 8.270 nan 0.000 0.440 590 I N 0.926 121.387 120.570 -0.183 0.000 2.202 590 I HA -0.259 3.906 4.170 -0.009 0.000 0.242 590 I C 2.082 178.083 176.117 -0.193 0.000 1.091 590 I CA 1.170 62.365 61.300 -0.174 0.000 1.368 590 I CB -0.198 37.701 38.000 -0.169 0.000 1.058 590 I HN 0.028 nan 8.210 nan 0.000 0.410 591 K N 0.943 121.163 120.400 -0.300 0.000 2.152 591 K HA -0.217 4.098 4.320 -0.009 0.000 0.206 591 K C 1.986 178.489 176.600 -0.162 0.000 1.048 591 K CA 1.198 57.326 56.287 -0.264 0.000 0.933 591 K CB -0.345 31.921 32.500 -0.390 0.000 0.721 591 K HN 0.341 nan 8.250 nan 0.000 0.447 592 K N 1.179 121.489 120.400 -0.150 0.000 2.062 592 K HA -0.093 4.222 4.320 -0.009 0.000 0.205 592 K C -0.005 176.549 176.600 -0.077 0.000 1.051 592 K CA 1.098 57.323 56.287 -0.103 0.000 0.941 592 K CB 0.334 32.776 32.500 -0.097 0.000 0.719 592 K HN 0.083 nan 8.250 nan 0.000 0.440 593 E N 0.083 120.235 120.200 -0.079 0.000 3.386 593 E HA 0.121 4.466 4.350 -0.009 0.000 0.236 593 E C -2.363 174.203 176.600 -0.056 0.000 1.227 593 E CA -1.610 54.756 56.400 -0.055 0.000 0.970 593 E CB 1.749 31.422 29.700 -0.044 0.000 1.343 593 E HN 0.107 nan 8.360 nan 0.000 0.397 594 P HA -0.202 nan 4.420 nan 0.000 0.216 594 P C 0.619 177.903 177.300 -0.026 0.000 1.157 594 P CA 1.153 64.224 63.100 -0.049 0.000 0.880 594 P CB 0.214 31.890 31.700 -0.039 0.000 0.791 595 N N -0.830 117.863 118.700 -0.011 0.000 2.362 595 N HA -0.016 4.719 4.740 -0.009 0.000 0.204 595 N C 0.552 176.079 175.510 0.029 0.000 1.166 595 N CA 0.395 53.452 53.050 0.011 0.000 0.831 595 N CB 0.004 38.498 38.487 0.010 0.000 1.008 595 N HN 0.232 nan 8.380 nan 0.000 0.472 596 K N 0.876 121.285 120.400 0.016 0.000 2.130 596 K HA 0.161 4.476 4.320 -0.009 0.000 0.268 596 K C -0.820 175.819 176.600 0.065 0.000 0.983 596 K CA -0.575 55.736 56.287 0.040 0.000 0.893 596 K CB 0.930 33.433 32.500 0.005 0.000 1.066 596 K HN -0.131 nan 8.250 nan 0.000 0.450 597 F N 4.276 124.212 119.950 -0.023 0.000 2.412 597 F HA 0.272 4.794 4.527 -0.009 0.000 0.348 597 F C -0.415 175.369 175.800 -0.026 0.000 1.102 597 F CA -0.157 57.831 58.000 -0.021 0.000 1.196 597 F CB 0.723 39.714 39.000 -0.016 0.000 1.144 597 F HN 0.192 nan 8.300 nan 0.000 0.541 598 V N 4.064 123.367 119.914 -1.017 0.000 2.888 598 V HA 0.547 4.662 4.120 -0.009 0.000 0.309 598 V C -0.935 174.562 176.094 -0.995 0.000 1.114 598 V CA -1.192 60.669 62.300 -0.731 0.000 0.940 598 V CB 0.934 32.535 31.823 -0.370 0.000 1.021 598 V HN 0.595 nan 8.190 nan 0.000 0.426 599 V N 4.628 124.220 119.914 -0.536 0.000 2.540 599 V HA 0.204 4.318 4.120 -0.009 0.000 0.297 599 V C -1.834 174.093 176.094 -0.277 0.000 1.024 599 V CA -0.422 61.694 62.300 -0.306 0.000 1.105 599 V CB 0.451 32.215 31.823 -0.098 0.000 0.938 599 V HN 0.910 nan 8.190 nan 0.000 0.482 600 P HA 0.322 nan 4.420 nan 0.000 0.268 600 P C -0.416 176.790 177.300 -0.156 0.000 1.205 600 P CA -0.041 62.968 63.100 -0.152 0.000 0.771 600 P CB 0.533 32.191 31.700 -0.070 0.000 0.858 601 R N 1.037 121.457 120.500 -0.133 0.000 2.725 601 R HA 0.576 4.911 4.340 -0.009 0.000 0.277 601 R C -0.920 175.331 176.300 -0.081 0.000 0.987 601 R CA -0.646 55.377 56.100 -0.129 0.000 0.901 601 R CB 2.082 32.290 30.300 -0.153 0.000 1.207 601 R HN 0.281 nan 8.270 nan 0.000 0.463 602 T N 1.867 116.386 114.554 -0.058 0.000 2.864 602 T HA 0.232 4.577 4.350 -0.009 0.000 0.310 602 T C -0.429 174.179 174.700 -0.153 0.000 1.040 602 T CA -0.453 61.577 62.100 -0.117 0.000 0.977 602 T CB 1.158 69.905 68.868 -0.202 0.000 0.976 602 T HN 0.140 nan 8.240 nan 0.000 0.459 603 V N 5.859 125.690 119.914 -0.138 0.000 2.385 603 V HA 0.402 4.517 4.120 -0.009 0.000 0.269 603 V C 0.103 176.110 176.094 -0.146 0.000 1.043 603 V CA -0.320 61.903 62.300 -0.128 0.000 0.906 603 V CB 0.607 32.369 31.823 -0.101 0.000 0.995 603 V HN 0.845 nan 8.190 nan 0.000 0.467 604 M N 6.625 126.126 119.600 -0.164 0.000 2.227 604 M HA 0.610 5.084 4.480 -0.009 0.000 0.335 604 M C -0.935 175.247 176.300 -0.197 0.000 1.053 604 M CA -0.137 55.057 55.300 -0.176 0.000 0.973 604 M CB 1.880 34.374 32.600 -0.178 0.000 1.623 604 M HN 0.425 nan 8.290 nan 0.000 0.434 605 I N 1.948 122.377 120.570 -0.234 0.000 2.498 605 I HA 0.808 4.973 4.170 -0.009 0.000 0.290 605 I C 0.006 175.762 176.117 -0.601 0.000 1.032 605 I CA -0.633 60.496 61.300 -0.286 0.000 1.073 605 I CB 2.308 40.232 38.000 -0.128 0.000 1.251 605 I HN 0.796 nan 8.210 nan 0.000 0.426 606 G N 2.996 111.420 108.800 -0.626 0.000 2.690 606 G HA2 0.834 4.789 3.960 -0.009 0.000 0.293 606 G HA3 0.834 4.789 3.960 -0.009 0.000 0.293 606 G C -1.038 173.564 174.900 -0.497 0.000 1.399 606 G CA -0.726 43.857 45.100 -0.861 0.000 0.890 606 G HN 0.989 nan 8.290 nan 0.000 0.485 607 G N -0.385 108.291 108.800 -0.207 0.000 2.352 607 G HA2 0.419 4.374 3.960 -0.009 0.000 0.305 607 G HA3 0.419 4.374 3.960 -0.009 0.000 0.305 607 G C -1.279 173.771 174.900 0.250 0.000 1.537 607 G CA -1.016 44.130 45.100 0.077 0.000 0.959 607 G HN 0.612 nan 8.290 nan 0.000 0.668 608 K N -0.227 120.314 120.400 0.235 0.000 2.098 608 K HA 0.782 5.097 4.320 -0.009 0.000 0.258 608 K C 0.181 176.932 176.600 0.251 0.000 0.973 608 K CA -0.250 56.196 56.287 0.266 0.000 0.898 608 K CB 2.092 34.664 32.500 0.120 0.000 1.057 608 K HN 0.884 nan 8.250 nan 0.000 0.447 609 A N 1.152 124.151 122.820 0.297 0.000 2.337 609 A HA 0.658 4.973 4.320 -0.009 0.000 0.329 609 A C -0.559 177.211 177.584 0.311 0.000 1.146 609 A CA -0.762 51.394 52.037 0.198 0.000 0.800 609 A CB 1.137 20.163 19.000 0.044 0.000 1.220 609 A HN 0.764 nan 8.150 nan 0.000 0.472 610 A N 3.335 126.332 122.820 0.294 0.000 2.511 610 A HA 0.475 4.790 4.320 -0.009 0.000 0.242 610 A C -1.398 176.286 177.584 0.168 0.000 1.069 610 A CA -0.778 51.431 52.037 0.287 0.000 0.763 610 A CB -0.393 18.747 19.000 0.233 0.000 1.001 610 A HN 0.600 nan 8.150 nan 0.000 0.498 611 P HA -0.166 nan 4.420 nan 0.000 0.217 611 P C 1.274 178.572 177.300 -0.004 0.000 1.151 611 P CA 2.101 65.159 63.100 -0.071 0.000 0.849 611 P CB 0.203 31.811 31.700 -0.153 0.000 0.787 612 G N -3.103 105.719 108.800 0.036 0.000 3.284 612 G HA2 -0.061 3.894 3.960 -0.009 0.000 0.236 612 G HA3 -0.061 3.894 3.960 -0.009 0.000 0.236 612 G C -0.263 174.682 174.900 0.075 0.000 1.158 612 G CA -0.129 44.995 45.100 0.040 0.000 0.774 612 G HN 0.312 nan 8.290 nan 0.000 0.545 613 Y N 1.739 121.989 120.300 -0.084 0.000 2.714 613 Y HA 0.179 4.724 4.550 -0.009 0.000 0.333 613 Y C 1.654 177.534 175.900 -0.033 0.000 1.220 613 Y CA -1.092 56.934 58.100 -0.124 0.000 1.513 613 Y CB 0.059 38.409 38.460 -0.184 0.000 1.435 613 Y HN 0.319 nan 8.280 nan 0.000 0.489 614 H N 3.870 123.041 119.070 0.168 0.000 2.289 614 H HA -0.255 4.296 4.556 -0.008 0.000 0.296 614 H C 1.810 177.152 175.328 0.023 0.000 1.091 614 H CA 2.535 58.632 56.048 0.081 0.000 1.274 614 H CB 0.303 30.113 29.762 0.080 0.000 1.364 614 H HN 0.709 nan 8.280 nan 0.000 0.490 615 M N 0.989 120.597 119.600 0.012 0.000 2.108 615 M HA -0.094 4.381 4.480 -0.009 0.000 0.261 615 M C 2.571 178.628 176.300 -0.404 0.000 1.066 615 M CA 1.889 57.109 55.300 -0.133 0.000 1.107 615 M CB -0.773 31.874 32.600 0.079 0.000 1.356 615 M HN 0.352 nan 8.290 nan 0.000 0.406 616 A N -0.493 121.828 122.820 -0.831 0.000 1.933 616 A HA -0.194 4.121 4.320 -0.009 0.000 0.218 616 A C 2.204 179.572 177.584 -0.360 0.000 1.175 616 A CA 1.867 53.447 52.037 -0.762 0.000 0.628 616 A CB -0.645 17.690 19.000 -1.108 0.000 0.814 616 A HN 0.588 nan 8.150 nan 0.000 0.444 617 K N -1.168 119.070 120.400 -0.270 0.000 2.155 617 K HA -0.020 4.295 4.320 -0.009 0.000 0.203 617 K C 1.877 178.409 176.600 -0.113 0.000 1.052 617 K CA 1.126 57.340 56.287 -0.121 0.000 0.948 617 K CB -0.179 32.309 32.500 -0.020 0.000 0.728 617 K HN 0.350 nan 8.250 nan 0.000 0.448 618 M N 0.460 119.947 119.600 -0.187 0.000 2.254 618 M HA -0.055 4.420 4.480 -0.009 0.000 0.265 618 M C 2.078 178.309 176.300 -0.116 0.000 1.066 618 M CA 1.343 56.579 55.300 -0.107 0.000 1.123 618 M CB -0.555 31.982 32.600 -0.105 0.000 1.388 618 M HN 0.120 nan 8.290 nan 0.000 0.425 619 I N -0.172 120.295 120.570 -0.172 0.000 2.315 619 I HA -0.291 3.874 4.170 -0.009 0.000 0.248 619 I C 2.281 178.269 176.117 -0.215 0.000 1.117 619 I CA 1.049 62.240 61.300 -0.181 0.000 1.404 619 I CB -0.278 37.615 38.000 -0.179 0.000 1.071 619 I HN 0.170 nan 8.210 nan 0.000 0.419 620 I N 0.677 121.096 120.570 -0.250 0.000 2.226 620 I HA -0.296 3.869 4.170 -0.009 0.000 0.245 620 I C 2.595 178.428 176.117 -0.474 0.000 1.100 620 I CA 1.196 62.255 61.300 -0.401 0.000 1.374 620 I CB -0.265 37.464 38.000 -0.453 0.000 1.057 620 I HN 0.151 nan 8.210 nan 0.000 0.413 621 K N 1.570 121.698 120.400 -0.453 0.000 2.057 621 K HA -0.152 4.163 4.320 -0.009 0.000 0.207 621 K C 2.047 178.484 176.600 -0.273 0.000 1.049 621 K CA 1.521 57.463 56.287 -0.575 0.000 0.931 621 K CB -0.604 31.286 32.500 -1.015 0.000 0.714 621 K HN 0.219 nan 8.250 nan 0.000 0.440 622 L N 0.442 121.542 121.223 -0.206 0.000 2.042 622 L HA -0.184 4.151 4.340 -0.009 0.000 0.210 622 L C 2.202 178.836 176.870 -0.393 0.000 1.076 622 L CA 1.719 56.267 54.840 -0.486 0.000 0.749 622 L CB -0.289 41.390 42.059 -0.634 0.000 0.893 622 L HN 0.283 nan 8.230 nan 0.000 0.432 623 I N -0.243 120.150 120.570 -0.295 0.000 2.163 623 I HA -0.338 3.827 4.170 -0.009 0.000 0.243 623 I C 2.633 178.645 176.117 -0.175 0.000 1.085 623 I CA 1.965 63.143 61.300 -0.203 0.000 1.347 623 I CB -0.651 37.314 38.000 -0.058 0.000 1.044 623 I HN 0.434 nan 8.210 nan 0.000 0.408 624 T N -0.750 113.676 114.554 -0.213 0.000 2.821 624 T HA -0.066 4.279 4.350 -0.009 0.000 0.267 624 T C 1.999 176.631 174.700 -0.112 0.000 1.046 624 T CA 0.925 62.931 62.100 -0.158 0.000 1.139 624 T CB -0.475 68.256 68.868 -0.228 0.000 0.871 624 T HN 0.341 nan 8.240 nan 0.000 0.454 625 A N 1.716 124.465 122.820 -0.118 0.000 1.902 625 A HA 0.095 4.410 4.320 -0.009 0.000 0.217 625 A C 2.400 179.986 177.584 0.004 0.000 1.181 625 A CA 1.465 53.501 52.037 -0.002 0.000 0.623 625 A CB -0.884 18.199 19.000 0.138 0.000 0.818 625 A HN 0.593 nan 8.150 nan 0.000 0.443 626 I N -0.315 120.145 120.570 -0.184 0.000 2.226 626 I HA -0.209 3.956 4.170 -0.009 0.000 0.245 626 I C 2.689 178.744 176.117 -0.104 0.000 1.100 626 I CA 1.101 62.256 61.300 -0.242 0.000 1.374 626 I CB -0.607 37.138 38.000 -0.425 0.000 1.057 626 I HN 0.405 nan 8.210 nan 0.000 0.413 627 G N 0.435 109.174 108.800 -0.101 0.000 2.418 627 G HA2 -0.256 3.699 3.960 -0.009 0.000 0.217 627 G HA3 -0.256 3.699 3.960 -0.009 0.000 0.217 627 G C 1.255 176.126 174.900 -0.049 0.000 1.158 627 G CA 0.930 45.979 45.100 -0.085 0.000 0.771 627 G HN 0.277 nan 8.290 nan 0.000 0.545 628 D N 0.086 120.503 120.400 0.029 0.000 2.123 628 D HA -0.099 4.536 4.640 -0.009 0.000 0.196 628 D C 2.717 179.126 176.300 0.182 0.000 0.992 628 D CA 0.837 54.925 54.000 0.148 0.000 0.833 628 D CB -0.281 40.583 40.800 0.107 0.000 0.954 628 D HN 0.247 nan 8.370 nan 0.000 0.455 629 V N 0.197 120.160 119.914 0.080 0.000 2.302 629 V HA -0.142 3.973 4.120 -0.009 0.000 0.243 629 V C 2.622 178.665 176.094 -0.085 0.000 1.036 629 V CA 0.795 63.102 62.300 0.012 0.000 1.020 629 V CB -0.367 31.469 31.823 0.022 0.000 0.657 629 V HN 0.027 nan 8.190 nan 0.000 0.453 630 V N 1.037 120.829 119.914 -0.205 0.000 2.343 630 V HA -0.217 3.898 4.120 -0.009 0.000 0.247 630 V C 2.135 178.168 176.094 -0.102 0.000 1.051 630 V CA 2.051 64.213 62.300 -0.229 0.000 1.036 630 V CB -0.896 30.789 31.823 -0.230 0.000 0.654 630 V HN 0.573 nan 8.190 nan 0.000 0.451 631 N N -0.381 118.203 118.700 -0.194 0.000 2.512 631 N HA -0.076 4.659 4.740 -0.009 0.000 0.183 631 N C 1.136 176.378 175.510 -0.446 0.000 1.073 631 N CA 0.867 53.722 53.050 -0.325 0.000 0.911 631 N CB -0.262 37.961 38.487 -0.441 0.000 0.964 631 N HN 0.694 nan 8.380 nan 0.000 0.447 632 H N -1.456 117.623 119.070 0.015 0.000 2.581 632 H HA 0.197 4.748 4.556 -0.008 0.000 0.275 632 H C -0.558 174.793 175.328 0.039 0.000 1.126 632 H CA -0.477 55.584 56.048 0.021 0.000 1.097 632 H CB 0.637 30.402 29.762 0.005 0.000 1.626 632 H HN -0.018 nan 8.280 nan 0.000 0.565 633 D N 1.671 122.150 120.400 0.131 0.000 2.339 633 D HA 0.051 4.686 4.640 -0.009 0.000 0.241 633 D C -1.672 174.696 176.300 0.112 0.000 1.183 633 D CA -2.077 52.017 54.000 0.156 0.000 0.859 633 D CB 1.611 42.582 40.800 0.285 0.000 1.067 633 D HN 0.090 nan 8.370 nan 0.000 0.484 634 P HA -0.174 nan 4.420 nan 0.000 0.216 634 P C 1.599 178.929 177.300 0.049 0.000 1.153 634 P CA 0.602 63.739 63.100 0.061 0.000 0.858 634 P CB 0.401 32.131 31.700 0.049 0.000 0.789 635 V N -0.754 119.189 119.914 0.047 0.000 2.407 635 V HA -0.186 3.928 4.120 -0.009 0.000 0.248 635 V C 2.411 178.516 176.094 0.019 0.000 1.055 635 V CA 1.631 63.945 62.300 0.023 0.000 1.049 635 V CB -1.094 30.730 31.823 0.003 0.000 0.662 635 V HN -0.009 nan 8.190 nan 0.000 0.455 636 V N -0.245 119.699 119.914 0.049 0.000 2.358 636 V HA 0.098 4.213 4.120 -0.009 0.000 0.246 636 V C 1.817 177.926 176.094 0.025 0.000 1.047 636 V CA 1.569 63.896 62.300 0.045 0.000 1.035 636 V CB -1.240 30.656 31.823 0.122 0.000 0.658 636 V HN 0.750 nan 8.190 nan 0.000 0.452 637 G N 1.500 110.321 108.800 0.035 0.000 2.556 637 G HA2 -0.388 3.566 3.960 -0.009 0.000 0.283 637 G HA3 -0.388 3.566 3.960 -0.009 0.000 0.283 637 G C 0.217 175.130 174.900 0.021 0.000 1.177 637 G CA 0.568 45.685 45.100 0.029 0.000 0.978 637 G HN 0.733 nan 8.290 nan 0.000 0.554 638 D N -0.081 120.331 120.400 0.019 0.000 2.388 638 D HA 0.299 4.933 4.640 -0.009 0.000 0.221 638 D C 1.807 178.099 176.300 -0.012 0.000 1.133 638 D CA 0.150 54.158 54.000 0.013 0.000 0.831 638 D CB 0.109 40.931 40.800 0.036 0.000 0.962 638 D HN 0.571 nan 8.370 nan 0.000 0.502 639 R N -0.679 119.805 120.500 -0.027 0.000 2.161 639 R HA 0.230 4.565 4.340 -0.009 0.000 0.213 639 R C -0.170 176.084 176.300 -0.077 0.000 1.055 639 R CA 0.297 56.355 56.100 -0.069 0.000 0.996 639 R CB 0.207 30.451 30.300 -0.094 0.000 0.901 639 R HN 0.176 nan 8.270 nan 0.000 0.456 640 L N 0.549 121.743 121.223 -0.048 0.000 2.470 640 L HA 0.413 4.748 4.340 -0.009 0.000 0.268 640 L C -1.531 175.308 176.870 -0.052 0.000 0.964 640 L CA -0.526 54.282 54.840 -0.053 0.000 0.839 640 L CB 1.880 43.923 42.059 -0.026 0.000 1.276 640 L HN -0.181 nan 8.230 nan 0.000 0.403 641 R N 3.686 124.140 120.500 -0.077 0.000 2.621 641 R HA 0.763 5.098 4.340 -0.009 0.000 0.284 641 R C -1.735 174.501 176.300 -0.108 0.000 0.998 641 R CA -0.761 55.283 56.100 -0.094 0.000 0.895 641 R CB 2.445 32.685 30.300 -0.100 0.000 1.195 641 R HN 0.420 nan 8.270 nan 0.000 0.450 642 V N 4.914 124.762 119.914 -0.110 0.000 2.376 642 V HA 0.460 4.575 4.120 -0.009 0.000 0.287 642 V C -0.464 175.578 176.094 -0.087 0.000 1.015 642 V CA -0.689 61.548 62.300 -0.104 0.000 0.834 642 V CB 1.592 33.350 31.823 -0.108 0.000 1.001 642 V HN 0.522 nan 8.190 nan 0.000 0.428 643 I N 4.832 125.350 120.570 -0.087 0.000 2.509 643 I HA 0.465 4.630 4.170 -0.009 0.000 0.293 643 I C -0.659 175.436 176.117 -0.037 0.000 1.020 643 I CA -0.455 60.808 61.300 -0.061 0.000 1.088 643 I CB 1.905 39.847 38.000 -0.096 0.000 1.267 643 I HN 0.544 nan 8.210 nan 0.000 0.430 644 F N 6.997 126.880 119.950 -0.111 0.000 2.391 644 F HA 0.491 5.014 4.527 -0.008 0.000 0.359 644 F C -0.565 175.174 175.800 -0.102 0.000 1.122 644 F CA -0.730 57.207 58.000 -0.106 0.000 1.120 644 F CB 0.670 39.607 39.000 -0.105 0.000 1.142 644 F HN 0.151 nan 8.300 nan 0.000 0.483 645 L N 6.121 126.953 121.223 -0.653 0.000 2.433 645 L HA 0.132 4.467 4.340 -0.009 0.000 0.284 645 L C 0.369 177.004 176.870 -0.391 0.000 1.120 645 L CA 0.237 54.841 54.840 -0.394 0.000 0.879 645 L CB -0.086 41.818 42.059 -0.257 0.000 1.232 645 L HN 0.613 nan 8.230 nan 0.000 0.454 646 E N 3.364 123.462 120.200 -0.171 0.000 2.392 646 E HA -0.041 4.304 4.350 -0.009 0.000 0.264 646 E C 0.510 177.166 176.600 0.094 0.000 1.024 646 E CA -0.218 56.203 56.400 0.036 0.000 0.903 646 E CB 0.304 29.957 29.700 -0.078 0.000 0.963 646 E HN 0.544 nan 8.360 nan 0.000 0.432 647 N N 2.673 121.498 118.700 0.208 0.000 2.738 647 N HA -0.282 4.453 4.740 -0.009 0.000 0.249 647 N C -1.490 174.129 175.510 0.182 0.000 1.047 647 N CA 0.549 53.724 53.050 0.209 0.000 0.707 647 N CB -1.648 36.979 38.487 0.234 0.000 0.937 647 N HN 0.493 nan 8.380 nan 0.000 0.545 648 Y N 1.486 121.809 120.300 0.038 0.000 2.721 648 Y HA 0.138 4.683 4.550 -0.009 0.000 0.329 648 Y C 1.164 177.091 175.900 0.046 0.000 1.211 648 Y CA 0.778 58.884 58.100 0.010 0.000 1.512 648 Y CB 0.295 38.727 38.460 -0.048 0.000 1.249 648 Y HN 0.383 nan 8.280 nan 0.000 0.549 649 R N 2.335 122.490 120.500 -0.575 0.000 2.762 649 R HA 0.457 4.792 4.340 -0.009 0.000 0.271 649 R C -0.346 175.619 176.300 -0.560 0.000 1.038 649 R CA -0.570 55.278 56.100 -0.420 0.000 0.906 649 R CB 0.269 30.520 30.300 -0.081 0.000 1.259 649 R HN 0.340 nan 8.270 nan 0.000 0.457 650 V N 1.106 120.739 119.914 -0.469 0.000 2.252 650 V HA -0.305 3.810 4.120 -0.009 0.000 0.249 650 V C 2.595 178.570 176.094 -0.198 0.000 1.056 650 V CA 2.877 64.962 62.300 -0.359 0.000 1.022 650 V CB -0.889 30.704 31.823 -0.384 0.000 0.641 650 V HN 0.932 nan 8.190 nan 0.000 0.445 651 S N 0.182 115.789 115.700 -0.154 0.000 2.383 651 S HA -0.205 4.260 4.470 -0.009 0.000 0.229 651 S C 1.930 176.484 174.600 -0.078 0.000 1.030 651 S CA 1.797 59.936 58.200 -0.103 0.000 1.002 651 S CB -0.592 62.580 63.200 -0.048 0.000 0.829 651 S HN 0.397 nan 8.310 nan 0.000 0.467 652 L N 1.927 123.106 121.223 -0.074 0.000 2.109 652 L HA 0.326 4.661 4.340 -0.009 0.000 0.207 652 L C 2.657 179.526 176.870 -0.001 0.000 1.086 652 L CA 1.370 56.204 54.840 -0.010 0.000 0.760 652 L CB -1.272 40.835 42.059 0.080 0.000 0.910 652 L HN 0.350 nan 8.230 nan 0.000 0.437 653 A N -0.676 122.116 122.820 -0.047 0.000 1.933 653 A HA -0.224 4.091 4.320 -0.009 0.000 0.218 653 A C 2.114 179.755 177.584 0.094 0.000 1.175 653 A CA 1.767 53.857 52.037 0.088 0.000 0.628 653 A CB -0.592 18.443 19.000 0.058 0.000 0.814 653 A HN 0.599 nan 8.150 nan 0.000 0.444 654 E N -0.419 119.820 120.200 0.065 0.000 2.338 654 E HA -0.150 4.195 4.350 -0.009 0.000 0.197 654 E C 1.829 178.394 176.600 -0.057 0.000 1.007 654 E CA 1.107 57.504 56.400 -0.005 0.000 0.849 654 E CB -0.037 29.566 29.700 -0.160 0.000 0.774 654 E HN 0.620 nan 8.360 nan 0.000 0.506 655 K N -0.044 120.301 120.400 -0.090 0.000 2.141 655 K HA 0.008 4.323 4.320 -0.009 0.000 0.202 655 K C 2.137 178.538 176.600 -0.332 0.000 1.045 655 K CA 0.691 56.904 56.287 -0.124 0.000 0.971 655 K CB 0.347 32.779 32.500 -0.114 0.000 0.795 655 K HN -0.042 nan 8.250 nan 0.000 0.459 656 V N 1.819 121.450 119.914 -0.472 0.000 2.379 656 V HA -0.179 3.936 4.120 -0.009 0.000 0.245 656 V C 2.227 178.076 176.094 -0.408 0.000 1.044 656 V CA 1.360 63.182 62.300 -0.798 0.000 1.036 656 V CB -0.576 30.939 31.823 -0.514 0.000 0.664 656 V HN 0.217 nan 8.190 nan 0.000 0.453 657 I N 0.609 120.992 120.570 -0.312 0.000 2.163 657 I HA -0.173 3.992 4.170 -0.009 0.000 0.243 657 I C -0.143 175.863 176.117 -0.185 0.000 1.085 657 I CA 1.840 62.891 61.300 -0.416 0.000 1.347 657 I CB -1.572 36.053 38.000 -0.626 0.000 1.044 657 I HN 0.345 nan 8.210 nan 0.000 0.408 658 P HA -0.127 nan 4.420 nan 0.000 0.222 658 P C 0.939 178.236 177.300 -0.005 0.000 1.147 658 P CA 1.324 64.401 63.100 -0.039 0.000 0.790 658 P CB 0.041 31.726 31.700 -0.026 0.000 0.780 659 A N -1.412 121.388 122.820 -0.033 0.000 2.308 659 A HA 0.490 4.804 4.320 -0.009 0.000 0.217 659 A C 1.127 178.823 177.584 0.186 0.000 1.216 659 A CA 0.076 52.152 52.037 0.065 0.000 0.864 659 A CB -0.572 18.478 19.000 0.083 0.000 0.902 659 A HN 0.188 nan 8.150 nan 0.000 0.499 660 A N -0.203 122.724 122.820 0.178 0.000 2.340 660 A HA 0.495 4.810 4.320 -0.009 0.000 0.268 660 A C 0.335 178.068 177.584 0.248 0.000 1.100 660 A CA -0.170 52.033 52.037 0.276 0.000 0.803 660 A CB 0.394 19.640 19.000 0.410 0.000 1.043 660 A HN 0.253 nan 8.150 nan 0.000 0.488 661 D N 0.250 120.793 120.400 0.237 0.000 2.431 661 D HA 0.134 4.769 4.640 -0.009 0.000 0.235 661 D C 0.004 176.521 176.300 0.362 0.000 0.980 661 D CA 0.682 54.874 54.000 0.319 0.000 0.912 661 D CB 0.301 41.197 40.800 0.160 0.000 1.056 661 D HN 0.358 nan 8.370 nan 0.000 0.494 662 L N 1.146 122.463 121.223 0.157 0.000 2.356 662 L HA 0.301 4.636 4.340 -0.009 0.000 0.277 662 L C -0.769 175.979 176.870 -0.202 0.000 0.996 662 L CA -0.315 54.543 54.840 0.030 0.000 0.822 662 L CB 2.067 44.120 42.059 -0.011 0.000 1.256 662 L HN -0.179 nan 8.230 nan 0.000 0.413 663 S N 4.302 119.797 115.700 -0.343 0.000 2.422 663 S HA 0.308 4.773 4.470 -0.009 0.000 0.308 663 S C -0.367 173.958 174.600 -0.458 0.000 1.097 663 S CA -0.695 57.057 58.200 -0.748 0.000 1.099 663 S CB 0.578 63.291 63.200 -0.812 0.000 0.976 663 S HN 0.544 nan 8.310 nan 0.000 0.471 664 E N 4.170 124.113 120.200 -0.428 0.000 2.052 664 E HA 0.190 4.535 4.350 -0.009 0.000 0.283 664 E C -0.517 175.970 176.600 -0.188 0.000 1.071 664 E CA -0.367 55.905 56.400 -0.213 0.000 0.851 664 E CB 0.888 30.492 29.700 -0.160 0.000 1.066 664 E HN 0.595 nan 8.360 nan 0.000 0.396 665 Q N 2.768 122.512 119.800 -0.094 0.000 2.907 665 Q HA 0.265 4.600 4.340 -0.009 0.000 0.262 665 Q C 0.598 176.586 176.000 -0.020 0.000 0.997 665 Q CA -0.142 55.620 55.803 -0.068 0.000 0.797 665 Q CB 0.250 28.962 28.738 -0.043 0.000 1.228 665 Q HN 0.611 nan 8.270 nan 0.000 0.466 666 I N -1.572 118.972 120.570 -0.044 0.000 3.637 666 I HA 0.279 4.444 4.170 -0.009 0.000 0.342 666 I C 0.360 176.422 176.117 -0.092 0.000 1.545 666 I CA -0.664 60.617 61.300 -0.032 0.000 1.126 666 I CB 0.317 38.301 38.000 -0.027 0.000 1.375 666 I HN -0.004 nan 8.210 nan 0.000 0.467 667 S N 0.342 115.989 115.700 -0.088 0.000 2.579 667 S HA 0.206 4.671 4.470 -0.009 0.000 0.275 667 S C 0.561 175.137 174.600 -0.040 0.000 1.345 667 S CA -0.313 57.853 58.200 -0.057 0.000 1.031 667 S CB 0.455 63.672 63.200 0.029 0.000 0.892 667 S HN 0.392 nan 8.310 nan 0.000 0.529 668 T N 2.650 117.212 114.554 0.013 0.000 2.902 668 T HA 0.393 4.738 4.350 -0.009 0.000 0.301 668 T C 0.750 175.453 174.700 0.004 0.000 1.012 668 T CA 0.224 62.339 62.100 0.024 0.000 1.151 668 T CB 0.060 69.015 68.868 0.145 0.000 0.946 668 T HN 1.006 nan 8.240 nan 0.000 0.542 669 A N 2.622 125.415 122.820 -0.045 0.000 2.580 669 A HA 0.440 4.755 4.320 -0.009 0.000 0.244 669 A C 1.654 179.225 177.584 -0.021 0.000 1.045 669 A CA 0.327 52.335 52.037 -0.049 0.000 0.761 669 A CB -0.932 18.027 19.000 -0.067 0.000 0.962 669 A HN 1.717 nan 8.150 nan 0.000 0.512 670 G N 1.420 110.206 108.800 -0.024 0.000 2.175 670 G HA2 -0.254 3.701 3.960 -0.009 0.000 0.244 670 G HA3 -0.254 3.701 3.960 -0.009 0.000 0.244 670 G C 0.893 175.770 174.900 -0.038 0.000 0.982 670 G CA 1.168 46.255 45.100 -0.021 0.000 0.641 670 G HN 2.002 nan 8.290 nan 0.000 0.527 671 T N -2.502 112.022 114.554 -0.049 0.000 3.034 671 T HA 0.399 4.744 4.350 -0.009 0.000 0.248 671 T C 0.775 175.290 174.700 -0.308 0.000 1.040 671 T CA 1.077 63.069 62.100 -0.180 0.000 1.107 671 T CB 0.524 69.316 68.868 -0.126 0.000 0.932 671 T HN 0.267 nan 8.240 nan 0.000 0.474 672 E N 1.566 121.724 120.200 -0.071 0.000 1.996 672 E HA 0.662 5.007 4.350 -0.009 0.000 0.280 672 E C 1.181 177.721 176.600 -0.101 0.000 1.092 672 E CA 0.045 56.451 56.400 0.010 0.000 0.862 672 E CB 0.697 30.464 29.700 0.111 0.000 1.066 672 E HN 0.344 nan 8.360 nan 0.000 0.396 673 A N 3.404 126.086 122.820 -0.229 0.000 1.896 673 A HA -0.260 4.055 4.320 -0.009 0.000 0.220 673 A C 1.993 179.452 177.584 -0.209 0.000 1.206 673 A CA 2.450 54.218 52.037 -0.447 0.000 0.647 673 A CB -0.329 18.195 19.000 -0.793 0.000 0.828 673 A HN 0.610 nan 8.150 nan 0.000 0.455 674 S N -4.060 111.575 115.700 -0.108 0.000 3.984 674 S HA 0.455 4.919 4.470 -0.009 0.000 0.221 674 S C 0.678 175.265 174.600 -0.022 0.000 1.149 674 S CA 1.389 59.571 58.200 -0.030 0.000 0.950 674 S CB -0.078 63.130 63.200 0.013 0.000 1.216 674 S HN 2.335 nan 8.310 nan 0.000 0.547 675 G N 0.298 109.090 108.800 -0.013 0.000 2.721 675 G HA2 -0.023 3.932 3.960 -0.009 0.000 0.686 675 G HA3 -0.023 3.932 3.960 -0.009 0.000 0.686 675 G C 0.229 175.107 174.900 -0.037 0.000 1.236 675 G CA 0.446 45.535 45.100 -0.018 0.000 0.786 675 G HN 1.330 nan 8.290 nan 0.000 0.616 676 T N -1.961 112.557 114.554 -0.059 0.000 3.051 676 T HA 0.370 4.715 4.350 -0.009 0.000 0.254 676 T C 2.380 176.978 174.700 -0.170 0.000 0.916 676 T CA 1.260 63.297 62.100 -0.105 0.000 0.894 676 T CB 0.245 69.046 68.868 -0.113 0.000 1.251 676 T HN 1.902 nan 8.240 nan 0.000 0.517 677 G N 3.100 111.825 108.800 -0.125 0.000 2.442 677 G HA2 -0.265 3.690 3.960 -0.009 0.000 0.219 677 G HA3 -0.265 3.690 3.960 -0.009 0.000 0.219 677 G C 1.453 176.393 174.900 0.067 0.000 1.141 677 G CA 1.185 46.226 45.100 -0.099 0.000 0.763 677 G HN 0.837 nan 8.290 nan 0.000 0.554 678 N N 0.127 118.853 118.700 0.043 0.000 2.149 678 N HA -0.145 4.590 4.740 -0.009 0.000 0.188 678 N C 2.209 177.724 175.510 0.008 0.000 1.019 678 N CA 1.327 54.410 53.050 0.055 0.000 0.857 678 N CB -0.356 38.114 38.487 -0.027 0.000 0.997 678 N HN 0.346 nan 8.380 nan 0.000 0.426 679 M N 0.797 120.332 119.600 -0.108 0.000 2.175 679 M HA -0.024 4.451 4.480 -0.009 0.000 0.264 679 M C 2.008 178.262 176.300 -0.076 0.000 1.063 679 M CA 1.414 56.635 55.300 -0.132 0.000 1.119 679 M CB -0.080 32.446 32.600 -0.123 0.000 1.377 679 M HN 0.102 nan 8.290 nan 0.000 0.415 680 K N 0.079 120.361 120.400 -0.197 0.000 2.063 680 K HA -0.125 4.189 4.320 -0.009 0.000 0.208 680 K C 1.713 178.193 176.600 -0.200 0.000 1.048 680 K CA 1.435 57.539 56.287 -0.307 0.000 0.928 680 K CB -0.306 31.775 32.500 -0.699 0.000 0.713 680 K HN 0.156 nan 8.250 nan 0.000 0.442 681 F N 1.060 120.943 119.950 -0.111 0.000 2.146 681 F HA -0.114 4.407 4.527 -0.009 0.000 0.298 681 F C 2.562 178.339 175.800 -0.039 0.000 1.096 681 F CA 1.173 59.132 58.000 -0.068 0.000 1.275 681 F CB -0.303 38.644 39.000 -0.088 0.000 1.008 681 F HN -0.001 nan 8.300 nan 0.000 0.480 682 M N -0.462 119.227 119.600 0.148 0.000 2.117 682 M HA -0.192 4.283 4.480 -0.009 0.000 0.262 682 M C 2.083 178.442 176.300 0.099 0.000 1.065 682 M CA 1.588 56.948 55.300 0.101 0.000 1.114 682 M CB -0.238 32.419 32.600 0.096 0.000 1.361 682 M HN 0.256 nan 8.290 nan 0.000 0.408 683 L N 0.745 122.025 121.223 0.094 0.000 2.291 683 L HA -0.065 4.270 4.340 -0.009 0.000 0.214 683 L C 1.297 178.217 176.870 0.083 0.000 1.120 683 L CA 1.551 56.453 54.840 0.103 0.000 0.799 683 L CB -0.574 41.557 42.059 0.120 0.000 0.925 683 L HN 0.351 nan 8.230 nan 0.000 0.446 684 N N -0.283 118.456 118.700 0.066 0.000 2.235 684 N HA 0.171 4.906 4.740 -0.009 0.000 0.209 684 N C 0.884 176.433 175.510 0.065 0.000 1.122 684 N CA 0.789 53.871 53.050 0.053 0.000 0.845 684 N CB 0.625 39.122 38.487 0.016 0.000 1.004 684 N HN 0.412 nan 8.380 nan 0.000 0.499 685 G N 0.403 109.247 108.800 0.073 0.000 2.130 685 G HA2 -0.190 3.765 3.960 -0.009 0.000 0.216 685 G HA3 -0.190 3.765 3.960 -0.009 0.000 0.216 685 G C -0.011 174.962 174.900 0.121 0.000 0.999 685 G CA 0.098 45.243 45.100 0.075 0.000 0.686 685 G HN 0.517 nan 8.290 nan 0.000 0.515 686 A N -0.205 122.696 122.820 0.135 0.000 2.325 686 A HA 0.884 5.199 4.320 -0.009 0.000 0.333 686 A C 0.333 177.925 177.584 0.013 0.000 1.155 686 A CA -0.621 51.513 52.037 0.161 0.000 0.814 686 A CB 1.059 20.213 19.000 0.256 0.000 1.206 686 A HN 0.680 nan 8.150 nan 0.000 0.482 687 L N 0.811 122.006 121.223 -0.046 0.000 2.399 687 L HA 0.448 4.783 4.340 -0.009 0.000 0.265 687 L C 0.146 176.884 176.870 -0.219 0.000 1.089 687 L CA -0.350 54.349 54.840 -0.234 0.000 0.802 687 L CB 1.611 43.431 42.059 -0.399 0.000 1.180 687 L HN 0.695 nan 8.230 nan 0.000 0.454 688 T N 2.964 117.246 114.554 -0.453 0.000 2.779 688 T HA 0.458 4.803 4.350 -0.009 0.000 0.280 688 T C -0.408 174.143 174.700 -0.249 0.000 0.987 688 T CA -0.242 61.568 62.100 -0.484 0.000 0.966 688 T CB 1.427 69.776 68.868 -0.865 0.000 0.933 688 T HN 0.350 nan 8.240 nan 0.000 0.442 689 I N 3.066 123.604 120.570 -0.053 0.000 2.362 689 I HA 0.726 4.891 4.170 -0.009 0.000 0.289 689 I C 0.081 176.339 176.117 0.236 0.000 0.994 689 I CA 0.069 61.456 61.300 0.146 0.000 1.158 689 I CB 0.372 38.389 38.000 0.029 0.000 1.315 689 I HN 0.788 nan 8.210 nan 0.000 0.451 690 G N 3.969 112.996 108.800 0.380 0.000 2.559 690 G HA2 0.442 4.396 3.960 -0.009 0.000 0.291 690 G HA3 0.442 4.396 3.960 -0.009 0.000 0.291 690 G C -0.929 173.942 174.900 -0.050 0.000 1.424 690 G CA -0.356 44.895 45.100 0.252 0.000 0.786 690 G HN 0.576 nan 8.290 nan 0.000 0.485 691 T N -1.534 112.852 114.554 -0.280 0.000 2.847 691 T HA 0.535 4.880 4.350 -0.009 0.000 0.279 691 T C 0.667 175.260 174.700 -0.178 0.000 0.984 691 T CA -0.680 61.164 62.100 -0.427 0.000 0.988 691 T CB 1.165 69.788 68.868 -0.409 0.000 1.040 691 T HN 0.262 nan 8.240 nan 0.000 0.528 692 M N 2.889 122.391 119.600 -0.164 0.000 3.237 692 M HA 0.337 4.812 4.480 -0.009 0.000 0.266 692 M C -0.489 175.759 176.300 -0.086 0.000 1.456 692 M CA -0.063 55.176 55.300 -0.102 0.000 1.593 692 M CB -1.621 30.925 32.600 -0.089 0.000 1.129 692 M HN 0.745 nan 8.290 nan 0.000 0.547 693 D N 0.062 120.418 120.400 -0.073 0.000 2.601 693 D HA 0.684 5.319 4.640 -0.009 0.000 0.230 693 D C 0.705 176.982 176.300 -0.038 0.000 1.106 693 D CA 0.677 54.645 54.000 -0.052 0.000 0.873 693 D CB 1.757 42.526 40.800 -0.052 0.000 1.515 693 D HN 0.601 nan 8.370 nan 0.000 0.468 694 G N 1.389 110.174 108.800 -0.025 0.000 2.632 694 G HA2 -0.260 3.695 3.960 -0.009 0.000 0.322 694 G HA3 -0.260 3.695 3.960 -0.009 0.000 0.322 694 G C 1.076 175.966 174.900 -0.016 0.000 1.326 694 G CA 1.259 46.349 45.100 -0.017 0.000 0.986 694 G HN 1.066 nan 8.290 nan 0.000 0.541 695 A N -0.446 122.359 122.820 -0.024 0.000 2.172 695 A HA 0.026 4.341 4.320 -0.009 0.000 0.216 695 A C 2.144 179.658 177.584 -0.115 0.000 1.154 695 A CA 1.981 53.993 52.037 -0.041 0.000 0.701 695 A CB -0.479 18.477 19.000 -0.074 0.000 0.789 695 A HN 0.632 nan 8.150 nan 0.000 0.465 696 N N 0.435 119.080 118.700 -0.092 0.000 2.137 696 N HA -0.147 4.588 4.740 -0.009 0.000 0.190 696 N C 1.569 176.958 175.510 -0.201 0.000 1.017 696 N CA 1.590 54.585 53.050 -0.092 0.000 0.859 696 N CB -0.588 37.899 38.487 0.000 0.000 1.002 696 N HN 0.306 nan 8.380 nan 0.000 0.428 697 V N 1.233 121.069 119.914 -0.129 0.000 2.343 697 V HA -0.192 3.923 4.120 -0.009 0.000 0.247 697 V C 1.958 177.977 176.094 -0.125 0.000 1.051 697 V CA 1.613 63.834 62.300 -0.132 0.000 1.036 697 V CB -0.457 31.323 31.823 -0.072 0.000 0.654 697 V HN 0.343 nan 8.190 nan 0.000 0.451 698 E N -0.559 119.620 120.200 -0.034 0.000 2.158 698 E HA -0.120 4.225 4.350 -0.009 0.000 0.191 698 E C 2.218 178.916 176.600 0.163 0.000 0.982 698 E CA 0.998 57.454 56.400 0.094 0.000 0.823 698 E CB -0.173 29.674 29.700 0.245 0.000 0.766 698 E HN 0.535 nan 8.360 nan 0.000 0.468 699 M N 0.528 120.105 119.600 -0.039 0.000 2.086 699 M HA -0.146 4.329 4.480 -0.009 0.000 0.261 699 M C 2.499 178.526 176.300 -0.455 0.000 1.067 699 M CA 1.580 56.780 55.300 -0.167 0.000 1.116 699 M CB -0.198 32.188 32.600 -0.356 0.000 1.348 699 M HN 0.138 nan 8.290 nan 0.000 0.407 700 A N -0.181 122.077 122.820 -0.937 0.000 1.933 700 A HA -0.215 4.100 4.320 -0.009 0.000 0.218 700 A C 1.981 179.346 177.584 -0.366 0.000 1.175 700 A CA 1.934 53.375 52.037 -0.993 0.000 0.628 700 A CB -0.799 17.691 19.000 -0.849 0.000 0.814 700 A HN 0.587 nan 8.150 nan 0.000 0.444 701 E N -0.403 119.660 120.200 -0.229 0.000 2.077 701 E HA -0.211 4.134 4.350 -0.009 0.000 0.193 701 E C 1.770 178.333 176.600 -0.062 0.000 0.989 701 E CA 1.267 57.601 56.400 -0.109 0.000 0.800 701 E CB -0.051 29.608 29.700 -0.068 0.000 0.746 701 E HN 0.564 nan 8.360 nan 0.000 0.452 702 E N -0.019 120.168 120.200 -0.020 0.000 2.072 702 E HA -0.104 4.241 4.350 -0.009 0.000 0.190 702 E C 1.840 178.452 176.600 0.021 0.000 0.982 702 E CA 1.056 57.467 56.400 0.018 0.000 0.803 702 E CB -0.099 29.657 29.700 0.093 0.000 0.755 702 E HN 0.349 nan 8.360 nan 0.000 0.453 703 A N 0.440 123.274 122.820 0.024 0.000 2.072 703 A HA 0.335 4.650 4.320 -0.009 0.000 0.216 703 A C 1.046 178.639 177.584 0.014 0.000 1.156 703 A CA 1.074 53.143 52.037 0.053 0.000 0.701 703 A CB 0.052 19.142 19.000 0.151 0.000 0.816 703 A HN 0.242 nan 8.150 nan 0.000 0.458 704 G N -0.417 108.364 108.800 -0.032 0.000 3.225 704 G HA2 -0.081 3.874 3.960 -0.009 0.000 0.686 704 G HA3 -0.081 3.874 3.960 -0.009 0.000 0.686 704 G C -0.044 174.831 174.900 -0.041 0.000 1.105 704 G CA -0.018 45.060 45.100 -0.037 0.000 0.831 704 G HN 0.253 nan 8.290 nan 0.000 0.578 705 E N 0.999 121.164 120.200 -0.058 0.000 2.219 705 E HA -0.195 4.150 4.350 -0.009 0.000 0.198 705 E C 1.943 178.527 176.600 -0.026 0.000 0.998 705 E CA 1.772 58.147 56.400 -0.042 0.000 0.818 705 E CB 0.086 29.762 29.700 -0.041 0.000 0.741 705 E HN 0.772 nan 8.360 nan 0.000 0.477 706 E N 0.599 120.773 120.200 -0.044 0.000 2.347 706 E HA -0.064 4.281 4.350 -0.009 0.000 0.196 706 E C 0.938 177.452 176.600 -0.144 0.000 1.008 706 E CA 0.538 56.893 56.400 -0.075 0.000 0.852 706 E CB 0.005 29.673 29.700 -0.053 0.000 0.783 706 E HN 0.156 nan 8.360 nan 0.000 0.505 707 N N -0.325 118.315 118.700 -0.101 0.000 2.251 707 N HA 0.148 4.883 4.740 -0.009 0.000 0.217 707 N C -0.941 174.477 175.510 -0.153 0.000 1.124 707 N CA 0.078 53.038 53.050 -0.151 0.000 0.843 707 N CB 0.399 38.855 38.487 -0.051 0.000 1.024 707 N HN 0.047 nan 8.380 nan 0.000 0.501 708 F N -0.447 119.262 119.950 -0.401 0.000 2.588 708 F HA 0.425 4.946 4.527 -0.010 0.000 0.314 708 F C -0.782 174.746 175.800 -0.452 0.000 1.069 708 F CA -1.141 56.649 58.000 -0.350 0.000 0.931 708 F CB 1.332 40.241 39.000 -0.153 0.000 1.260 708 F HN -0.227 nan 8.300 nan 0.000 0.465 709 F N 4.948 124.904 119.950 0.010 0.000 2.318 709 F HA 0.381 4.904 4.527 -0.008 0.000 0.356 709 F C -0.320 175.608 175.800 0.214 0.000 1.109 709 F CA -0.651 57.388 58.000 0.064 0.000 1.234 709 F CB -0.067 38.911 39.000 -0.036 0.000 1.545 709 F HN -0.020 nan 8.300 nan 0.000 0.534 710 I N 3.745 124.521 120.570 0.344 0.000 2.440 710 I HA 0.363 4.528 4.170 -0.009 0.000 0.294 710 I C -0.053 176.258 176.117 0.325 0.000 0.995 710 I CA -0.639 60.833 61.300 0.287 0.000 1.306 710 I CB 0.624 38.714 38.000 0.150 0.000 1.407 710 I HN 0.346 nan 8.210 nan 0.000 0.501 711 F N 2.384 122.397 119.950 0.106 0.000 2.745 711 F HA 0.843 5.365 4.527 -0.009 0.000 0.316 711 F C -0.017 175.822 175.800 0.064 0.000 1.155 711 F CA -0.499 57.553 58.000 0.087 0.000 0.937 711 F CB 1.023 40.087 39.000 0.106 0.000 1.361 711 F HN 0.817 nan 8.300 nan 0.000 0.472 712 G N 0.912 109.730 108.800 0.030 0.000 2.796 712 G HA2 -0.076 3.879 3.960 -0.009 0.000 0.571 712 G HA3 -0.076 3.879 3.960 -0.009 0.000 0.571 712 G C -0.846 174.005 174.900 -0.082 0.000 1.370 712 G CA -0.557 44.493 45.100 -0.084 0.000 0.856 712 G HN 0.957 nan 8.290 nan 0.000 0.538 713 M N 0.094 119.662 119.600 -0.053 0.000 2.248 713 M HA 0.382 4.857 4.480 -0.009 0.000 0.337 713 M C 1.041 177.301 176.300 -0.068 0.000 1.121 713 M CA 0.179 55.461 55.300 -0.030 0.000 1.155 713 M CB 0.496 33.090 32.600 -0.009 0.000 1.514 713 M HN 0.560 nan 8.290 nan 0.000 0.452 714 R N 0.799 121.275 120.500 -0.041 0.000 2.549 714 R HA 0.313 4.648 4.340 -0.009 0.000 0.259 714 R C 1.059 177.337 176.300 -0.035 0.000 1.095 714 R CA -0.507 55.565 56.100 -0.047 0.000 1.148 714 R CB 0.373 30.654 30.300 -0.032 0.000 1.181 714 R HN 0.570 nan 8.270 nan 0.000 0.571 715 V N 1.221 121.114 119.914 -0.036 0.000 2.282 715 V HA -0.289 3.826 4.120 -0.009 0.000 0.249 715 V C 1.574 177.657 176.094 -0.019 0.000 1.057 715 V CA 2.135 64.418 62.300 -0.028 0.000 1.032 715 V CB -0.495 31.310 31.823 -0.030 0.000 0.645 715 V HN 0.653 nan 8.190 nan 0.000 0.447 716 E N 0.214 120.405 120.200 -0.015 0.000 2.118 716 E HA -0.196 4.149 4.350 -0.009 0.000 0.195 716 E C 1.959 178.562 176.600 0.005 0.000 0.992 716 E CA 1.460 57.856 56.400 -0.006 0.000 0.804 716 E CB -0.444 29.254 29.700 -0.004 0.000 0.741 716 E HN 0.633 nan 8.360 nan 0.000 0.458 717 D N -0.180 120.224 120.400 0.007 0.000 2.144 717 D HA -0.093 4.542 4.640 -0.009 0.000 0.200 717 D C 1.951 178.267 176.300 0.026 0.000 0.978 717 D CA 0.797 54.812 54.000 0.025 0.000 0.833 717 D CB -0.009 40.808 40.800 0.028 0.000 0.961 717 D HN 0.069 nan 8.370 nan 0.000 0.470 718 V N 1.863 121.780 119.914 0.005 0.000 2.358 718 V HA -0.196 3.918 4.120 -0.009 0.000 0.246 718 V C 1.999 178.095 176.094 0.004 0.000 1.047 718 V CA 1.598 63.895 62.300 -0.005 0.000 1.035 718 V CB -0.352 31.458 31.823 -0.023 0.000 0.658 718 V HN 0.048 nan 8.190 nan 0.000 0.452 719 D N -0.150 120.252 120.400 0.003 0.000 2.117 719 D HA -0.143 4.492 4.640 -0.009 0.000 0.197 719 D C 2.407 178.721 176.300 0.023 0.000 0.987 719 D CA 1.124 55.128 54.000 0.007 0.000 0.829 719 D CB -0.264 40.536 40.800 0.000 0.000 0.961 719 D HN 0.331 nan 8.370 nan 0.000 0.460 720 R N 0.288 120.806 120.500 0.030 0.000 2.091 720 R HA -0.062 4.273 4.340 -0.009 0.000 0.238 720 R C 2.534 178.872 176.300 0.064 0.000 1.136 720 R CA 0.449 56.574 56.100 0.042 0.000 0.959 720 R CB -0.505 29.822 30.300 0.045 0.000 0.856 720 R HN 0.242 nan 8.270 nan 0.000 0.437 721 L N 0.807 122.078 121.223 0.080 0.000 2.083 721 L HA -0.210 4.124 4.340 -0.009 0.000 0.209 721 L C 1.643 178.584 176.870 0.119 0.000 1.083 721 L CA 1.385 56.302 54.840 0.127 0.000 0.752 721 L CB -0.294 41.857 42.059 0.153 0.000 0.899 721 L HN 0.202 nan 8.230 nan 0.000 0.433 722 D N -0.826 119.618 120.400 0.073 0.000 2.144 722 D HA -0.174 4.461 4.640 -0.009 0.000 0.200 722 D C 2.268 178.602 176.300 0.057 0.000 0.978 722 D CA 0.844 54.880 54.000 0.061 0.000 0.833 722 D CB -0.037 40.778 40.800 0.024 0.000 0.961 722 D HN 0.364 nan 8.370 nan 0.000 0.470 723 Q N 0.588 120.416 119.800 0.047 0.000 2.030 723 Q HA -0.141 4.194 4.340 -0.009 0.000 0.204 723 Q C 2.285 178.313 176.000 0.047 0.000 0.986 723 Q CA 0.974 56.801 55.803 0.039 0.000 0.843 723 Q CB -0.430 28.327 28.738 0.033 0.000 0.904 723 Q HN 0.302 nan 8.270 nan 0.000 0.420 724 R N -0.160 120.376 120.500 0.060 0.000 2.092 724 R HA -0.021 4.314 4.340 -0.009 0.000 0.231 724 R C 0.094 176.436 176.300 0.071 0.000 1.119 724 R CA 1.004 57.142 56.100 0.063 0.000 0.970 724 R CB 0.066 30.412 30.300 0.075 0.000 0.864 724 R HN 0.384 nan 8.270 nan 0.000 0.440 725 G N -0.433 108.425 108.800 0.097 0.000 3.444 725 G HA2 -0.242 3.713 3.960 -0.009 0.000 0.685 725 G HA3 -0.242 3.713 3.960 -0.009 0.000 0.685 725 G C -1.356 173.640 174.900 0.161 0.000 1.145 725 G CA -0.488 44.677 45.100 0.109 0.000 0.973 725 G HN 0.271 nan 8.290 nan 0.000 0.525 726 Y N 3.848 124.188 120.300 0.065 0.000 2.480 726 Y HA 0.535 5.080 4.550 -0.008 0.000 0.341 726 Y C 0.360 176.325 175.900 0.109 0.000 1.031 726 Y CA -0.808 57.351 58.100 0.098 0.000 1.295 726 Y CB 0.883 39.382 38.460 0.065 0.000 1.162 726 Y HN 0.556 nan 8.280 nan 0.000 0.523 727 N N 5.281 123.743 118.700 -0.396 0.000 2.569 727 N HA 0.264 4.999 4.740 -0.009 0.000 0.254 727 N C 0.220 175.482 175.510 -0.413 0.000 1.004 727 N CA 0.371 53.215 53.050 -0.342 0.000 0.904 727 N CB 1.546 39.964 38.487 -0.115 0.000 1.165 727 N HN 0.883 nan 8.380 nan 0.000 0.513 728 A N 3.069 125.560 122.820 -0.548 0.000 1.978 728 A HA -0.226 4.089 4.320 -0.009 0.000 0.220 728 A C 1.926 179.651 177.584 0.236 0.000 1.170 728 A CA 1.507 53.472 52.037 -0.119 0.000 0.636 728 A CB -0.363 18.516 19.000 -0.201 0.000 0.810 728 A HN 0.739 nan 8.150 nan 0.000 0.448 729 Q N 0.173 120.006 119.800 0.056 0.000 2.152 729 Q HA -0.246 4.089 4.340 -0.009 0.000 0.206 729 Q C 1.894 177.965 176.000 0.118 0.000 0.985 729 Q CA 2.361 58.206 55.803 0.068 0.000 0.863 729 Q CB -0.382 28.352 28.738 -0.008 0.000 0.904 729 Q HN 0.782 nan 8.270 nan 0.000 0.422 730 E N -1.430 118.786 120.200 0.027 0.000 2.070 730 E HA -0.246 4.099 4.350 -0.009 0.000 0.197 730 E C 1.583 178.114 176.600 -0.114 0.000 1.004 730 E CA 1.540 57.883 56.400 -0.095 0.000 0.805 730 E CB -0.227 29.318 29.700 -0.258 0.000 0.744 730 E HN 0.596 nan 8.360 nan 0.000 0.451 731 Y N -1.184 119.180 120.300 0.107 0.000 2.242 731 Y HA -0.193 4.352 4.550 -0.009 0.000 0.291 731 Y C 2.188 178.081 175.900 -0.012 0.000 1.137 731 Y CA 1.429 59.575 58.100 0.078 0.000 1.181 731 Y CB -0.623 37.929 38.460 0.154 0.000 0.989 731 Y HN 0.239 nan 8.280 nan 0.000 0.527 732 Y N 1.295 121.614 120.300 0.031 0.000 2.224 732 Y HA -0.248 4.297 4.550 -0.008 0.000 0.289 732 Y C 1.764 177.627 175.900 -0.063 0.000 1.146 732 Y CA 1.758 59.802 58.100 -0.093 0.000 1.182 732 Y CB -0.376 38.081 38.460 -0.004 0.000 0.983 732 Y HN 0.091 nan 8.280 nan 0.000 0.524 733 D N -0.328 120.199 120.400 0.212 0.000 2.224 733 D HA -0.073 4.562 4.640 -0.009 0.000 0.205 733 D C 1.771 178.067 176.300 -0.006 0.000 0.965 733 D CA 1.027 55.093 54.000 0.109 0.000 0.852 733 D CB -0.067 40.796 40.800 0.106 0.000 0.947 733 D HN 0.494 nan 8.370 nan 0.000 0.494 734 R N -0.047 120.440 120.500 -0.022 0.000 2.312 734 R HA 0.279 4.613 4.340 -0.009 0.000 0.205 734 R C 0.463 176.745 176.300 -0.031 0.000 0.904 734 R CA 0.096 56.177 56.100 -0.031 0.000 1.052 734 R CB 1.153 31.429 30.300 -0.039 0.000 1.014 734 R HN 0.133 nan 8.270 nan 0.000 0.503 735 I N 2.167 122.699 120.570 -0.064 0.000 2.464 735 I HA 0.220 4.385 4.170 -0.009 0.000 0.277 735 I C -1.944 174.077 176.117 -0.159 0.000 1.040 735 I CA -2.347 58.914 61.300 -0.065 0.000 1.153 735 I CB 2.129 40.116 38.000 -0.022 0.000 1.274 735 I HN -0.300 nan 8.210 nan 0.000 0.469 736 P HA -0.203 nan 4.420 nan 0.000 0.216 736 P C 1.173 178.372 177.300 -0.169 0.000 1.154 736 P CA 1.530 64.539 63.100 -0.151 0.000 0.865 736 P CB 0.298 31.944 31.700 -0.090 0.000 0.789 737 E N -1.187 118.948 120.200 -0.108 0.000 2.106 737 E HA -0.160 4.185 4.350 -0.009 0.000 0.192 737 E C 1.863 178.342 176.600 -0.201 0.000 0.984 737 E CA 0.664 57.010 56.400 -0.090 0.000 0.806 737 E CB -0.586 29.136 29.700 0.036 0.000 0.750 737 E HN 0.126 nan 8.360 nan 0.000 0.458 738 L N 1.259 122.272 121.223 -0.351 0.000 2.109 738 L HA -0.111 4.224 4.340 -0.009 0.000 0.207 738 L C 2.321 178.881 176.870 -0.516 0.000 1.086 738 L CA 1.609 56.070 54.840 -0.631 0.000 0.760 738 L CB -0.307 41.236 42.059 -0.859 0.000 0.910 738 L HN -0.092 nan 8.230 nan 0.000 0.437 739 R N -0.740 119.431 120.500 -0.548 0.000 2.073 739 R HA -0.241 4.094 4.340 -0.009 0.000 0.234 739 R C 2.382 178.464 176.300 -0.364 0.000 1.134 739 R CA 1.948 57.614 56.100 -0.724 0.000 0.952 739 R CB -0.353 29.469 30.300 -0.796 0.000 0.850 739 R HN 0.642 nan 8.270 nan 0.000 0.433 740 Q N 0.478 120.121 119.800 -0.262 0.000 2.096 740 Q HA -0.186 4.149 4.340 -0.009 0.000 0.204 740 Q C 2.027 177.948 176.000 -0.131 0.000 0.982 740 Q CA 1.922 57.624 55.803 -0.168 0.000 0.850 740 Q CB -0.124 28.524 28.738 -0.150 0.000 0.901 740 Q HN 0.485 nan 8.270 nan 0.000 0.422 741 I N 0.565 121.053 120.570 -0.135 0.000 2.179 741 I HA -0.270 3.895 4.170 -0.009 0.000 0.242 741 I C 2.146 178.264 176.117 0.001 0.000 1.088 741 I CA 0.623 61.885 61.300 -0.063 0.000 1.357 741 I CB -0.298 37.645 38.000 -0.095 0.000 1.051 741 I HN 0.313 nan 8.210 nan 0.000 0.409 742 I N 0.910 121.474 120.570 -0.009 0.000 2.226 742 I HA -0.249 3.916 4.170 -0.009 0.000 0.245 742 I C 2.440 178.643 176.117 0.142 0.000 1.100 742 I CA 1.711 63.082 61.300 0.119 0.000 1.374 742 I CB -1.279 36.880 38.000 0.265 0.000 1.057 742 I HN 0.355 nan 8.210 nan 0.000 0.413 743 E N 0.304 120.563 120.200 0.098 0.000 2.150 743 E HA -0.215 4.130 4.350 -0.009 0.000 0.193 743 E C 2.125 178.779 176.600 0.089 0.000 0.985 743 E CA 0.750 57.210 56.400 0.100 0.000 0.814 743 E CB -0.106 29.627 29.700 0.055 0.000 0.752 743 E HN 0.611 nan 8.360 nan 0.000 0.466 744 Q N 0.476 120.304 119.800 0.048 0.000 2.079 744 Q HA -0.095 4.240 4.340 -0.009 0.000 0.200 744 Q C 2.361 178.512 176.000 0.251 0.000 0.974 744 Q CA 0.880 56.709 55.803 0.043 0.000 0.840 744 Q CB -0.011 28.622 28.738 -0.175 0.000 0.898 744 Q HN 0.300 nan 8.270 nan 0.000 0.430 745 L N 0.020 121.411 121.223 0.280 0.000 2.017 745 L HA -0.183 4.152 4.340 -0.009 0.000 0.208 745 L C 2.456 179.509 176.870 0.306 0.000 1.073 745 L CA 1.014 56.054 54.840 0.333 0.000 0.745 745 L CB -0.385 41.789 42.059 0.192 0.000 0.894 745 L HN 0.139 nan 8.230 nan 0.000 0.432 746 S N -0.206 115.627 115.700 0.222 0.000 2.368 746 S HA -0.158 4.307 4.470 -0.009 0.000 0.225 746 S C 2.069 176.771 174.600 0.170 0.000 1.030 746 S CA 1.541 59.853 58.200 0.187 0.000 0.999 746 S CB -0.274 63.016 63.200 0.151 0.000 0.844 746 S HN 0.605 nan 8.310 nan 0.000 0.459 747 S N 0.524 116.324 115.700 0.167 0.000 2.561 747 S HA 0.280 4.745 4.470 -0.009 0.000 0.225 747 S C 1.473 176.164 174.600 0.151 0.000 0.977 747 S CA 0.738 59.023 58.200 0.142 0.000 0.926 747 S CB -0.240 63.037 63.200 0.129 0.000 0.769 747 S HN 0.841 nan 8.310 nan 0.000 0.533 748 G N 0.569 109.492 108.800 0.205 0.000 2.131 748 G HA2 -0.299 3.656 3.960 -0.009 0.000 0.223 748 G HA3 -0.299 3.656 3.960 -0.009 0.000 0.223 748 G C 0.209 175.207 174.900 0.163 0.000 0.990 748 G CA 0.136 45.348 45.100 0.188 0.000 0.671 748 G HN 0.543 nan 8.290 nan 0.000 0.521 749 F N 0.392 120.344 119.950 0.004 0.000 2.161 749 F HA 0.148 4.670 4.527 -0.009 0.000 0.300 749 F C 1.823 177.435 175.800 -0.314 0.000 1.089 749 F CA 2.021 59.903 58.000 -0.198 0.000 1.282 749 F CB -0.085 38.711 39.000 -0.340 0.000 1.010 749 F HN 0.170 nan 8.300 nan 0.000 0.485 750 F N -0.319 119.810 119.950 0.297 0.000 2.695 750 F HA 0.213 4.735 4.527 -0.009 0.000 0.303 750 F C 0.646 176.570 175.800 0.206 0.000 1.091 750 F CA 0.287 58.410 58.000 0.205 0.000 1.300 750 F CB -0.140 38.983 39.000 0.204 0.000 1.071 750 F HN -0.014 nan 8.300 nan 0.000 0.578 751 S N -1.991 113.872 115.700 0.272 0.000 2.564 751 S HA 0.325 4.789 4.470 -0.009 0.000 0.141 751 S C -2.506 172.125 174.600 0.052 0.000 1.474 751 S CA -1.042 57.246 58.200 0.147 0.000 1.236 751 S CB 0.982 64.234 63.200 0.087 0.000 1.481 751 S HN -0.189 nan 8.310 nan 0.000 0.397 752 P HA -0.152 nan 4.420 nan 0.000 0.212 752 P C 1.312 178.607 177.300 -0.009 0.000 1.178 752 P CA 1.547 64.632 63.100 -0.026 0.000 0.915 752 P CB 0.079 31.742 31.700 -0.062 0.000 0.788 753 K N -0.948 119.447 120.400 -0.008 0.000 2.209 753 K HA -0.120 4.195 4.320 -0.009 0.000 0.204 753 K C 0.720 177.320 176.600 0.000 0.000 1.048 753 K CA 1.082 57.366 56.287 -0.004 0.000 0.940 753 K CB -0.233 32.267 32.500 -0.000 0.000 0.729 753 K HN 0.376 nan 8.250 nan 0.000 0.451 754 Q N -0.397 119.402 119.800 -0.002 0.000 2.907 754 Q HA 0.148 4.483 4.340 -0.009 0.000 0.262 754 Q C -2.323 173.673 176.000 -0.008 0.000 0.997 754 Q CA -1.605 54.191 55.803 -0.011 0.000 0.797 754 Q CB 1.570 30.292 28.738 -0.027 0.000 1.228 754 Q HN -0.074 nan 8.270 nan 0.000 0.466 755 P HA -0.238 nan 4.420 nan 0.000 0.217 755 P C 0.631 177.969 177.300 0.064 0.000 1.151 755 P CA 1.556 64.686 63.100 0.050 0.000 0.849 755 P CB 0.207 31.934 31.700 0.044 0.000 0.787 756 D N -1.562 118.860 120.400 0.036 0.000 2.368 756 D HA -0.005 4.630 4.640 -0.009 0.000 0.218 756 D C 1.556 177.858 176.300 0.005 0.000 1.112 756 D CA -0.241 53.788 54.000 0.048 0.000 0.834 756 D CB -0.854 39.975 40.800 0.048 0.000 0.953 756 D HN 0.020 nan 8.370 nan 0.000 0.505 757 L N -0.142 121.022 121.223 -0.098 0.000 2.089 757 L HA -0.064 4.271 4.340 -0.009 0.000 0.213 757 L C 0.998 177.644 176.870 -0.374 0.000 1.079 757 L CA 1.657 56.322 54.840 -0.291 0.000 0.758 757 L CB -0.609 41.116 42.059 -0.557 0.000 0.891 757 L HN 0.011 nan 8.230 nan 0.000 0.433 758 F N -0.594 119.417 119.950 0.101 0.000 2.730 758 F HA 0.151 4.673 4.527 -0.008 0.000 0.295 758 F C 1.812 177.665 175.800 0.089 0.000 1.143 758 F CA -0.197 57.853 58.000 0.083 0.000 1.367 758 F CB -0.274 38.764 39.000 0.064 0.000 0.970 758 F HN 0.100 nan 8.300 nan 0.000 0.514 759 K N -0.321 120.196 120.400 0.195 0.000 2.057 759 K HA -0.175 4.140 4.320 -0.009 0.000 0.207 759 K C 0.961 177.658 176.600 0.163 0.000 1.049 759 K CA 1.958 58.342 56.287 0.161 0.000 0.931 759 K CB -0.262 32.309 32.500 0.119 0.000 0.714 759 K HN 0.092 nan 8.250 nan 0.000 0.440 760 D N 1.391 121.902 120.400 0.185 0.000 2.117 760 D HA -0.108 4.527 4.640 -0.009 0.000 0.197 760 D C 2.113 178.513 176.300 0.166 0.000 0.987 760 D CA 1.206 55.326 54.000 0.199 0.000 0.829 760 D CB -0.161 40.805 40.800 0.275 0.000 0.961 760 D HN 0.319 nan 8.370 nan 0.000 0.460 761 I N 0.639 121.314 120.570 0.175 0.000 2.179 761 I HA -0.225 3.940 4.170 -0.009 0.000 0.242 761 I C 2.475 178.622 176.117 0.049 0.000 1.088 761 I CA 0.692 62.056 61.300 0.108 0.000 1.357 761 I CB -0.238 37.831 38.000 0.114 0.000 1.051 761 I HN -0.113 nan 8.210 nan 0.000 0.409 762 V N 0.922 120.888 119.914 0.086 0.000 2.343 762 V HA -0.319 3.796 4.120 -0.009 0.000 0.247 762 V C 2.180 178.251 176.094 -0.038 0.000 1.051 762 V CA 2.388 64.719 62.300 0.053 0.000 1.036 762 V CB -1.031 30.856 31.823 0.105 0.000 0.654 762 V HN 0.524 nan 8.190 nan 0.000 0.451 763 N N -0.464 118.237 118.700 0.002 0.000 2.069 763 N HA -0.247 4.488 4.740 -0.009 0.000 0.191 763 N C 2.039 177.397 175.510 -0.253 0.000 1.031 763 N CA 1.574 54.617 53.050 -0.011 0.000 0.852 763 N CB -0.129 38.436 38.487 0.130 0.000 1.018 763 N HN 0.345 nan 8.380 nan 0.000 0.423 764 M N 0.677 120.092 119.600 -0.309 0.000 2.086 764 M HA -0.139 4.335 4.480 -0.009 0.000 0.261 764 M C 1.745 177.772 176.300 -0.454 0.000 1.067 764 M CA 1.322 56.236 55.300 -0.644 0.000 1.116 764 M CB -0.669 31.830 32.600 -0.167 0.000 1.348 764 M HN 0.212 nan 8.290 nan 0.000 0.407 765 L N 0.641 121.678 121.223 -0.311 0.000 2.079 765 L HA -0.206 4.128 4.340 -0.009 0.000 0.210 765 L C 2.427 178.959 176.870 -0.564 0.000 1.081 765 L CA 1.622 56.198 54.840 -0.440 0.000 0.752 765 L CB -1.016 40.832 42.059 -0.351 0.000 0.896 765 L HN 0.353 nan 8.230 nan 0.000 0.433 766 M N -2.115 117.210 119.600 -0.459 0.000 2.334 766 M HA -0.034 4.441 4.480 -0.009 0.000 0.266 766 M C 1.811 177.717 176.300 -0.657 0.000 1.082 766 M CA 1.302 56.267 55.300 -0.559 0.000 1.141 766 M CB -0.721 31.448 32.600 -0.718 0.000 1.380 766 M HN 0.322 nan 8.290 nan 0.000 0.440 767 H N -1.786 117.183 119.070 -0.169 0.000 2.927 767 H HA 0.182 4.733 4.556 -0.008 0.000 0.255 767 H C 0.158 175.491 175.328 0.008 0.000 0.974 767 H CA 0.681 56.684 56.048 -0.074 0.000 1.199 767 H CB 0.168 29.929 29.762 -0.002 0.000 1.447 767 H HN 0.549 nan 8.280 nan 0.000 0.467 768 H N -1.138 117.990 119.070 0.096 0.000 2.616 768 H HA 0.306 4.857 4.556 -0.009 0.000 0.229 768 H C -1.194 174.156 175.328 0.036 0.000 1.418 768 H CA -0.714 55.378 56.048 0.073 0.000 1.248 768 H CB -0.018 29.789 29.762 0.075 0.000 1.822 768 H HN -0.129 nan 8.280 nan 0.000 0.522 769 D N 1.408 121.831 120.400 0.038 0.000 2.441 769 D HA 0.136 4.770 4.640 -0.009 0.000 0.221 769 D C 0.826 177.072 176.300 -0.090 0.000 1.156 769 D CA -0.458 53.538 54.000 -0.007 0.000 0.896 769 D CB 0.691 41.457 40.800 -0.056 0.000 1.028 769 D HN 0.506 nan 8.370 nan 0.000 0.509 770 R N 2.252 122.613 120.500 -0.233 0.000 2.237 770 R HA -0.050 4.284 4.340 -0.009 0.000 0.219 770 R C 0.565 176.347 176.300 -0.864 0.000 1.080 770 R CA 0.857 56.606 56.100 -0.585 0.000 0.995 770 R CB 0.088 29.865 30.300 -0.872 0.000 0.875 770 R HN 0.403 nan 8.270 nan 0.000 0.462 771 F N 0.503 120.416 119.950 -0.062 0.000 2.639 771 F HA 0.256 4.778 4.527 -0.008 0.000 0.302 771 F C 0.066 175.738 175.800 -0.213 0.000 1.097 771 F CA -0.704 57.240 58.000 -0.093 0.000 1.294 771 F CB 0.129 39.136 39.000 0.012 0.000 1.027 771 F HN -0.245 nan 8.300 nan 0.000 0.550 772 K N -0.347 119.841 120.400 -0.354 0.000 3.278 772 K HA -0.188 4.127 4.320 -0.009 0.000 0.270 772 K C 1.032 177.511 176.600 -0.201 0.000 0.955 772 K CA 0.184 56.102 56.287 -0.616 0.000 0.723 772 K CB -1.801 30.256 32.500 -0.738 0.000 1.382 772 K HN 0.221 nan 8.250 nan 0.000 0.461 773 V N 0.060 119.930 119.914 -0.074 0.000 2.287 773 V HA -0.292 3.823 4.120 -0.009 0.000 0.248 773 V C 1.981 178.209 176.094 0.223 0.000 1.053 773 V CA 2.299 64.634 62.300 0.059 0.000 1.027 773 V CB -0.507 31.346 31.823 0.050 0.000 0.646 773 V HN 0.515 nan 8.190 nan 0.000 0.447 774 F N 0.241 120.190 119.950 -0.001 0.000 2.171 774 F HA -0.198 4.324 4.527 -0.009 0.000 0.300 774 F C 2.544 178.126 175.800 -0.363 0.000 1.090 774 F CA 0.668 58.611 58.000 -0.095 0.000 1.293 774 F CB -0.407 38.549 39.000 -0.073 0.000 1.013 774 F HN 0.205 nan 8.300 nan 0.000 0.486 775 A N -0.489 122.153 122.820 -0.297 0.000 2.024 775 A HA -0.206 4.109 4.320 -0.009 0.000 0.220 775 A C 1.453 179.029 177.584 -0.013 0.000 1.164 775 A CA 1.942 53.735 52.037 -0.405 0.000 0.643 775 A CB -0.461 18.451 19.000 -0.147 0.000 0.806 775 A HN 0.248 nan 8.150 nan 0.000 0.451 776 D N -2.951 117.502 120.400 0.088 0.000 2.398 776 D HA 0.099 4.733 4.640 -0.009 0.000 0.210 776 D C 1.122 177.593 176.300 0.285 0.000 1.094 776 D CA -0.091 54.036 54.000 0.211 0.000 0.839 776 D CB -0.099 40.830 40.800 0.215 0.000 0.963 776 D HN 0.578 nan 8.370 nan 0.000 0.506 777 Y N 2.169 122.556 120.300 0.146 0.000 2.070 777 Y HA -0.238 4.307 4.550 -0.008 0.000 0.280 777 Y C 2.110 178.101 175.900 0.151 0.000 1.148 777 Y CA 1.943 60.140 58.100 0.162 0.000 1.125 777 Y CB 0.166 38.686 38.460 0.100 0.000 0.975 777 Y HN -0.106 nan 8.280 nan 0.000 0.492 778 E N -0.050 120.233 120.200 0.139 0.000 2.038 778 E HA -0.284 4.061 4.350 -0.009 0.000 0.195 778 E C 2.241 178.817 176.600 -0.040 0.000 1.000 778 E CA 1.675 58.084 56.400 0.014 0.000 0.803 778 E CB -0.239 29.564 29.700 0.172 0.000 0.750 778 E HN 0.611 nan 8.360 nan 0.000 0.448 779 E N -0.396 119.858 120.200 0.090 0.000 2.153 779 E HA -0.204 4.141 4.350 -0.009 0.000 0.194 779 E C 1.904 178.506 176.600 0.003 0.000 0.988 779 E CA 0.686 57.157 56.400 0.119 0.000 0.811 779 E CB -0.070 29.790 29.700 0.266 0.000 0.746 779 E HN 0.247 nan 8.360 nan 0.000 0.466 780 Y N 0.823 120.955 120.300 -0.280 0.000 2.114 780 Y HA -0.226 4.319 4.550 -0.009 0.000 0.284 780 Y C 2.068 177.561 175.900 -0.679 0.000 1.143 780 Y CA 1.168 58.763 58.100 -0.841 0.000 1.135 780 Y CB -0.574 37.472 38.460 -0.690 0.000 0.980 780 Y HN -0.176 nan 8.280 nan 0.000 0.499 781 V N 0.925 120.473 119.914 -0.610 0.000 2.332 781 V HA -0.338 3.777 4.120 -0.009 0.000 0.248 781 V C 2.306 178.152 176.094 -0.414 0.000 1.055 781 V CA 2.401 64.346 62.300 -0.591 0.000 1.038 781 V CB -0.631 30.875 31.823 -0.528 0.000 0.651 781 V HN 0.348 nan 8.190 nan 0.000 0.450 782 K N -0.851 119.378 120.400 -0.285 0.000 2.026 782 K HA -0.204 4.111 4.320 -0.009 0.000 0.208 782 K C 2.309 178.796 176.600 -0.188 0.000 1.048 782 K CA 1.691 57.875 56.287 -0.171 0.000 0.929 782 K CB -0.644 31.809 32.500 -0.078 0.000 0.713 782 K HN 0.529 nan 8.250 nan 0.000 0.439 783 C N 1.656 120.819 119.300 -0.229 0.000 2.425 783 C HA -0.105 4.350 4.460 -0.009 0.000 0.277 783 C C 2.644 177.420 174.990 -0.358 0.000 1.280 783 C CA 0.877 59.780 59.018 -0.192 0.000 1.744 783 C CB -0.685 26.963 27.740 -0.153 0.000 1.989 783 C HN 0.418 nan 8.230 nan 0.000 0.491 784 Q N 0.387 119.841 119.800 -0.575 0.000 2.226 784 Q HA -0.149 4.186 4.340 -0.009 0.000 0.204 784 Q C 2.034 177.813 176.000 -0.368 0.000 0.975 784 Q CA 1.539 56.960 55.803 -0.635 0.000 0.866 784 Q CB -0.345 27.757 28.738 -1.060 0.000 0.915 784 Q HN 0.770 nan 8.270 nan 0.000 0.440 785 E N 0.157 120.201 120.200 -0.260 0.000 2.107 785 E HA -0.116 4.229 4.350 -0.009 0.000 0.191 785 E C 2.040 178.577 176.600 -0.105 0.000 0.982 785 E CA 0.450 56.764 56.400 -0.143 0.000 0.809 785 E CB -0.031 29.609 29.700 -0.101 0.000 0.756 785 E HN 0.262 nan 8.360 nan 0.000 0.459 786 R N 0.574 121.012 120.500 -0.104 0.000 2.115 786 R HA -0.075 4.260 4.340 -0.009 0.000 0.230 786 R C 2.393 178.653 176.300 -0.066 0.000 1.111 786 R CA 0.792 56.889 56.100 -0.006 0.000 0.976 786 R CB -0.235 30.127 30.300 0.103 0.000 0.870 786 R HN 0.056 nan 8.270 nan 0.000 0.445 787 V N 0.428 120.116 119.914 -0.376 0.000 2.307 787 V HA -0.219 3.896 4.120 -0.009 0.000 0.245 787 V C 2.152 178.226 176.094 -0.034 0.000 1.045 787 V CA 1.890 63.885 62.300 -0.508 0.000 1.024 787 V CB -0.320 31.087 31.823 -0.694 0.000 0.651 787 V HN 0.270 nan 8.190 nan 0.000 0.449 788 S N 0.133 115.780 115.700 -0.088 0.000 2.382 788 S HA -0.166 4.298 4.470 -0.009 0.000 0.228 788 S C 2.189 176.838 174.600 0.083 0.000 1.027 788 S CA 1.373 59.559 58.200 -0.023 0.000 0.991 788 S CB -0.447 62.709 63.200 -0.072 0.000 0.823 788 S HN 0.648 nan 8.310 nan 0.000 0.469 789 A N 1.137 124.006 122.820 0.081 0.000 1.902 789 A HA -0.025 4.290 4.320 -0.009 0.000 0.217 789 A C 2.094 179.786 177.584 0.180 0.000 1.181 789 A CA 1.280 53.386 52.037 0.116 0.000 0.623 789 A CB -0.640 18.417 19.000 0.095 0.000 0.818 789 A HN 0.427 nan 8.150 nan 0.000 0.443 790 L N -2.054 119.335 121.223 0.277 0.000 2.156 790 L HA -0.052 4.283 4.340 -0.009 0.000 0.208 790 L C 2.204 179.352 176.870 0.464 0.000 1.095 790 L CA 1.713 56.795 54.840 0.402 0.000 0.770 790 L CB -0.716 41.683 42.059 0.567 0.000 0.914 790 L HN 0.496 nan 8.230 nan 0.000 0.439 791 Y N 0.274 120.703 120.300 0.214 0.000 2.352 791 Y HA -0.213 4.333 4.550 -0.007 0.000 0.292 791 Y C 2.279 178.105 175.900 -0.124 0.000 1.136 791 Y CA 1.566 59.523 58.100 -0.239 0.000 1.227 791 Y CB -0.091 38.026 38.460 -0.571 0.000 0.991 791 Y HN 0.163 nan 8.280 nan 0.000 0.545 792 K N -0.134 120.294 120.400 0.047 0.000 2.442 792 K HA -0.114 4.201 4.320 -0.009 0.000 0.198 792 K C 0.418 176.997 176.600 -0.035 0.000 1.042 792 K CA 0.653 56.951 56.287 0.019 0.000 0.958 792 K CB -0.065 32.495 32.500 0.100 0.000 0.766 792 K HN 0.053 nan 8.250 nan 0.000 0.474 793 N N 0.558 119.253 118.700 -0.008 0.000 2.976 793 N HA 0.130 4.865 4.740 -0.009 0.000 0.255 793 N C -2.432 173.075 175.510 -0.005 0.000 1.312 793 N CA -2.107 50.947 53.050 0.006 0.000 0.897 793 N CB 1.042 39.568 38.487 0.065 0.000 1.184 793 N HN -0.183 nan 8.380 nan 0.000 0.497 794 P HA -0.251 nan 4.420 nan 0.000 0.219 794 P C 1.411 178.713 177.300 0.004 0.000 1.161 794 P CA 1.439 64.458 63.100 -0.135 0.000 0.909 794 P CB 0.307 31.909 31.700 -0.163 0.000 0.793 795 R N -0.174 120.332 120.500 0.010 0.000 2.073 795 R HA -0.167 4.168 4.340 -0.009 0.000 0.234 795 R C 1.975 178.316 176.300 0.068 0.000 1.134 795 R CA 1.524 57.644 56.100 0.033 0.000 0.952 795 R CB -0.431 29.881 30.300 0.020 0.000 0.850 795 R HN 0.110 nan 8.270 nan 0.000 0.433 796 E N -0.119 120.131 120.200 0.085 0.000 2.208 796 E HA -0.205 4.139 4.350 -0.009 0.000 0.193 796 E C 1.594 178.274 176.600 0.134 0.000 0.988 796 E CA 0.593 57.049 56.400 0.093 0.000 0.828 796 E CB -0.370 29.383 29.700 0.088 0.000 0.763 796 E HN 0.535 nan 8.360 nan 0.000 0.478 797 W N 2.146 123.444 121.300 -0.004 0.000 2.379 797 W HA -0.145 4.509 4.660 -0.010 0.000 0.307 797 W C 1.553 178.078 176.519 0.011 0.000 1.200 797 W CA 1.889 59.248 57.345 0.023 0.000 1.297 797 W CB -0.398 29.052 29.460 -0.017 0.000 1.140 797 W HN 0.003 nan 8.180 nan 0.000 0.507 798 T N 1.364 116.072 114.554 0.257 0.000 2.788 798 T HA -0.170 4.175 4.350 -0.009 0.000 0.268 798 T C 1.853 176.570 174.700 0.029 0.000 1.044 798 T CA 1.687 63.865 62.100 0.130 0.000 1.139 798 T CB -0.264 68.656 68.868 0.086 0.000 0.867 798 T HN 0.176 nan 8.240 nan 0.000 0.454 799 R N 0.396 120.916 120.500 0.034 0.000 2.092 799 R HA 0.112 4.447 4.340 -0.009 0.000 0.231 799 R C 2.489 178.781 176.300 -0.013 0.000 1.119 799 R CA 1.110 57.226 56.100 0.027 0.000 0.970 799 R CB -0.326 29.995 30.300 0.036 0.000 0.864 799 R HN 0.370 nan 8.270 nan 0.000 0.440 800 M N 0.520 120.076 119.600 -0.073 0.000 2.175 800 M HA -0.128 4.346 4.480 -0.009 0.000 0.264 800 M C 1.921 178.130 176.300 -0.152 0.000 1.063 800 M CA 1.338 56.554 55.300 -0.140 0.000 1.119 800 M CB 0.191 32.642 32.600 -0.248 0.000 1.377 800 M HN -0.030 nan 8.290 nan 0.000 0.415 801 V N 0.921 120.729 119.914 -0.177 0.000 2.287 801 V HA -0.312 3.803 4.120 -0.009 0.000 0.248 801 V C 2.216 178.292 176.094 -0.030 0.000 1.053 801 V CA 1.995 64.220 62.300 -0.124 0.000 1.027 801 V CB -0.627 31.153 31.823 -0.071 0.000 0.646 801 V HN 0.514 nan 8.190 nan 0.000 0.447 802 I N -0.504 120.069 120.570 0.006 0.000 2.286 802 I HA -0.257 3.908 4.170 -0.009 0.000 0.248 802 I C 2.676 178.843 176.117 0.082 0.000 1.115 802 I CA 1.531 62.880 61.300 0.083 0.000 1.392 802 I CB -0.421 37.675 38.000 0.160 0.000 1.065 802 I HN 0.233 nan 8.210 nan 0.000 0.418 803 R N 0.454 120.979 120.500 0.041 0.000 2.148 803 R HA -0.097 4.238 4.340 -0.009 0.000 0.227 803 R C 2.030 178.361 176.300 0.051 0.000 1.103 803 R CA 1.105 57.228 56.100 0.039 0.000 0.983 803 R CB -0.362 29.944 30.300 0.009 0.000 0.874 803 R HN 0.520 nan 8.270 nan 0.000 0.451 804 N N 0.668 119.392 118.700 0.041 0.000 2.132 804 N HA -0.064 4.670 4.740 -0.009 0.000 0.187 804 N C 1.959 177.529 175.510 0.100 0.000 1.038 804 N CA 1.087 54.185 53.050 0.080 0.000 0.846 804 N CB -0.014 38.494 38.487 0.035 0.000 1.012 804 N HN 0.103 nan 8.380 nan 0.000 0.429 805 I N 1.728 122.345 120.570 0.079 0.000 2.194 805 I HA -0.261 3.904 4.170 -0.009 0.000 0.246 805 I C 2.465 178.635 176.117 0.089 0.000 1.093 805 I CA 0.985 62.338 61.300 0.088 0.000 1.355 805 I CB -0.375 37.670 38.000 0.075 0.000 1.046 805 I HN 0.105 nan 8.210 nan 0.000 0.413 806 A N 0.383 123.255 122.820 0.087 0.000 2.019 806 A HA -0.172 4.143 4.320 -0.009 0.000 0.219 806 A C 2.094 179.716 177.584 0.064 0.000 1.164 806 A CA 2.106 54.185 52.037 0.070 0.000 0.644 806 A CB -0.858 18.187 19.000 0.075 0.000 0.805 806 A HN 0.550 nan 8.150 nan 0.000 0.449 807 T N -2.905 111.700 114.554 0.085 0.000 3.174 807 T HA 0.190 4.535 4.350 -0.009 0.000 0.269 807 T C 1.105 175.889 174.700 0.140 0.000 1.017 807 T CA 0.620 62.771 62.100 0.085 0.000 0.899 807 T CB -0.173 68.743 68.868 0.081 0.000 1.077 807 T HN 0.480 nan 8.240 nan 0.000 0.552 808 S N 0.063 115.867 115.700 0.173 0.000 2.593 808 S HA 0.261 4.726 4.470 -0.009 0.000 0.217 808 S C 2.190 176.906 174.600 0.194 0.000 0.966 808 S CA 0.215 58.592 58.200 0.294 0.000 0.914 808 S CB -0.576 62.780 63.200 0.260 0.000 0.776 808 S HN 0.519 nan 8.310 nan 0.000 0.523 809 G N 2.867 111.708 108.800 0.069 0.000 2.469 809 G HA2 -0.310 3.645 3.960 -0.009 0.000 0.219 809 G HA3 -0.310 3.645 3.960 -0.009 0.000 0.219 809 G C 1.314 176.158 174.900 -0.094 0.000 1.150 809 G CA 1.085 46.194 45.100 0.015 0.000 0.763 809 G HN 0.613 nan 8.290 nan 0.000 0.561 810 K N -0.109 120.116 120.400 -0.293 0.000 2.281 810 K HA -0.043 4.272 4.320 -0.009 0.000 0.203 810 K C 1.242 177.494 176.600 -0.580 0.000 1.046 810 K CA 0.761 56.742 56.287 -0.511 0.000 0.938 810 K CB -0.285 31.748 32.500 -0.778 0.000 0.737 810 K HN 0.417 nan 8.250 nan 0.000 0.458 811 F N 0.941 120.921 119.950 0.049 0.000 2.664 811 F HA 0.121 4.643 4.527 -0.009 0.000 0.301 811 F C 0.803 176.650 175.800 0.077 0.000 1.126 811 F CA -0.596 57.440 58.000 0.061 0.000 1.373 811 F CB 0.401 39.434 39.000 0.055 0.000 1.042 811 F HN -0.104 nan 8.300 nan 0.000 0.535 812 S N 0.203 115.982 115.700 0.132 0.000 2.545 812 S HA 0.093 4.558 4.470 -0.009 0.000 0.275 812 S C 1.398 176.079 174.600 0.135 0.000 1.299 812 S CA -0.286 57.992 58.200 0.130 0.000 1.048 812 S CB 0.933 64.178 63.200 0.075 0.000 0.938 812 S HN 0.318 nan 8.310 nan 0.000 0.496 813 S N 3.136 118.940 115.700 0.173 0.000 2.507 813 S HA -0.065 4.400 4.470 -0.009 0.000 0.235 813 S C 0.898 175.546 174.600 0.080 0.000 0.988 813 S CA 0.607 58.926 58.200 0.199 0.000 0.944 813 S CB -0.339 63.053 63.200 0.319 0.000 0.762 813 S HN 0.790 nan 8.310 nan 0.000 0.526 814 D N 1.838 122.271 120.400 0.055 0.000 2.144 814 D HA -0.064 4.570 4.640 -0.009 0.000 0.200 814 D C 2.094 178.395 176.300 0.001 0.000 0.978 814 D CA 0.698 54.708 54.000 0.018 0.000 0.833 814 D CB -0.285 40.523 40.800 0.014 0.000 0.961 814 D HN 0.285 nan 8.370 nan 0.000 0.470 815 R N 0.852 121.355 120.500 0.006 0.000 2.066 815 R HA -0.071 4.264 4.340 -0.009 0.000 0.232 815 R C 1.861 178.152 176.300 -0.016 0.000 1.131 815 R CA 1.273 57.363 56.100 -0.017 0.000 0.955 815 R CB -0.758 29.520 30.300 -0.037 0.000 0.851 815 R HN 0.096 nan 8.270 nan 0.000 0.432 816 T N 2.330 116.898 114.554 0.023 0.000 2.652 816 T HA -0.131 4.214 4.350 -0.009 0.000 0.267 816 T C 1.927 176.632 174.700 0.009 0.000 1.039 816 T CA 1.481 63.615 62.100 0.057 0.000 1.153 816 T CB -0.143 68.835 68.868 0.183 0.000 0.863 816 T HN 0.107 nan 8.240 nan 0.000 0.428 817 I N 1.630 122.122 120.570 -0.130 0.000 2.286 817 I HA -0.101 4.064 4.170 -0.009 0.000 0.248 817 I C 2.899 178.972 176.117 -0.073 0.000 1.115 817 I CA 0.990 62.178 61.300 -0.187 0.000 1.392 817 I CB -1.611 36.274 38.000 -0.193 0.000 1.065 817 I HN 0.199 nan 8.210 nan 0.000 0.418 818 A N 0.179 122.973 122.820 -0.044 0.000 1.933 818 A HA -0.222 4.092 4.320 -0.009 0.000 0.218 818 A C 2.250 179.792 177.584 -0.071 0.000 1.175 818 A CA 1.324 53.343 52.037 -0.030 0.000 0.628 818 A CB -0.504 18.484 19.000 -0.021 0.000 0.814 818 A HN 0.507 nan 8.150 nan 0.000 0.444 819 Q N -1.851 117.888 119.800 -0.102 0.000 2.083 819 Q HA -0.155 4.180 4.340 -0.009 0.000 0.198 819 Q C 1.923 177.754 176.000 -0.281 0.000 0.969 819 Q CA 1.575 57.278 55.803 -0.167 0.000 0.838 819 Q CB -0.302 28.326 28.738 -0.182 0.000 0.900 819 Q HN 0.815 nan 8.270 nan 0.000 0.436 820 Y N 0.686 120.700 120.300 -0.476 0.000 2.128 820 Y HA -0.285 4.259 4.550 -0.009 0.000 0.284 820 Y C 2.490 177.821 175.900 -0.949 0.000 1.154 820 Y CA 1.296 58.860 58.100 -0.892 0.000 1.149 820 Y CB -0.442 37.185 38.460 -1.389 0.000 0.976 820 Y HN 0.157 nan 8.280 nan 0.000 0.505 821 A N 0.352 122.947 122.820 -0.375 0.000 1.865 821 A HA -0.242 4.073 4.320 -0.009 0.000 0.217 821 A C 2.250 179.847 177.584 0.021 0.000 1.191 821 A CA 2.168 54.229 52.037 0.040 0.000 0.623 821 A CB -0.587 18.510 19.000 0.162 0.000 0.826 821 A HN 0.437 nan 8.150 nan 0.000 0.444 822 R N -0.605 119.869 120.500 -0.044 0.000 2.075 822 R HA -0.032 4.302 4.340 -0.009 0.000 0.226 822 R C 1.840 178.114 176.300 -0.043 0.000 1.114 822 R CA 1.431 57.517 56.100 -0.024 0.000 0.972 822 R CB -0.229 30.053 30.300 -0.030 0.000 0.869 822 R HN 0.671 nan 8.270 nan 0.000 0.437 823 E N -0.306 119.828 120.200 -0.111 0.000 2.447 823 E HA 0.069 4.414 4.350 -0.009 0.000 0.195 823 E C 1.406 177.951 176.600 -0.091 0.000 1.028 823 E CA 0.515 56.854 56.400 -0.103 0.000 0.876 823 E CB 0.481 30.093 29.700 -0.147 0.000 0.885 823 E HN 0.342 nan 8.360 nan 0.000 0.500 824 I N -1.247 119.235 120.570 -0.146 0.000 3.878 824 I HA 0.022 4.187 4.170 -0.009 0.000 0.273 824 I C 1.257 177.501 176.117 0.212 0.000 1.165 824 I CA -0.096 61.174 61.300 -0.051 0.000 1.360 824 I CB 0.269 38.090 38.000 -0.298 0.000 1.539 824 I HN 0.107 nan 8.210 nan 0.000 0.447 825 W N 1.668 123.062 121.300 0.157 0.000 2.770 825 W HA 0.330 4.985 4.660 -0.008 0.000 0.256 825 W C 1.440 177.997 176.519 0.064 0.000 1.291 825 W CA 0.767 58.186 57.345 0.124 0.000 1.396 825 W CB -1.082 28.439 29.460 0.101 0.000 1.114 825 W HN 0.306 nan 8.180 nan 0.000 0.637 826 G N 1.349 110.287 108.800 0.230 0.000 2.298 826 G HA2 -0.078 3.877 3.960 -0.009 0.000 0.287 826 G HA3 -0.078 3.877 3.960 -0.009 0.000 0.287 826 G C -0.369 174.604 174.900 0.122 0.000 1.075 826 G CA 0.261 45.438 45.100 0.130 0.000 0.960 826 G HN 0.466 nan 8.290 nan 0.000 0.502 827 V N -4.267 115.735 119.914 0.147 0.000 2.971 827 V HA 0.886 5.001 4.120 -0.009 0.000 0.309 827 V C -0.438 175.715 176.094 0.098 0.000 1.130 827 V CA -1.698 60.671 62.300 0.114 0.000 0.964 827 V CB 2.336 34.236 31.823 0.128 0.000 1.029 827 V HN 0.147 nan 8.190 nan 0.000 0.427 828 E N 4.083 124.324 120.200 0.068 0.000 2.174 828 E HA 0.496 4.841 4.350 -0.009 0.000 0.282 828 E C -2.483 174.152 176.600 0.059 0.000 0.992 828 E CA -1.747 54.686 56.400 0.055 0.000 0.803 828 E CB 1.809 31.533 29.700 0.041 0.000 1.090 828 E HN 0.759 nan 8.360 nan 0.000 0.396 829 P HA 0.076 nan 4.420 nan 0.000 0.272 829 P C -0.448 176.881 177.300 0.049 0.000 1.223 829 P CA -0.272 62.862 63.100 0.057 0.000 0.784 829 P CB 1.035 32.764 31.700 0.048 0.000 0.923 830 S N 1.142 116.874 115.700 0.053 0.000 2.536 830 S HA 0.387 4.852 4.470 -0.009 0.000 0.287 830 S C 0.380 175.008 174.600 0.047 0.000 1.101 830 S CA -0.781 57.450 58.200 0.051 0.000 0.950 830 S CB 1.114 64.352 63.200 0.064 0.000 1.056 830 S HN 0.299 nan 8.310 nan 0.000 0.481 831 R N 2.120 122.643 120.500 0.038 0.000 2.468 831 R HA 0.198 4.533 4.340 -0.009 0.000 0.280 831 R C -0.211 176.104 176.300 0.025 0.000 0.963 831 R CA -0.034 56.087 56.100 0.035 0.000 1.083 831 R CB 0.350 30.670 30.300 0.032 0.000 1.200 831 R HN 0.690 nan 8.270 nan 0.000 0.541 832 Q N 1.108 120.923 119.800 0.025 0.000 2.332 832 Q HA 0.148 4.482 4.340 -0.009 0.000 0.263 832 Q C -0.283 175.714 176.000 -0.004 0.000 0.979 832 Q CA -0.031 55.779 55.803 0.012 0.000 0.885 832 Q CB 0.916 29.666 28.738 0.019 0.000 1.218 832 Q HN -0.330 nan 8.270 nan 0.000 0.405 833 R N 1.784 122.272 120.500 -0.020 0.000 2.340 833 R HA 0.271 4.606 4.340 -0.009 0.000 0.300 833 R C -0.451 175.811 176.300 -0.063 0.000 1.069 833 R CA -0.039 56.037 56.100 -0.041 0.000 0.984 833 R CB 0.319 30.593 30.300 -0.044 0.000 1.003 833 R HN 0.521 nan 8.270 nan 0.000 0.459 834 L N 5.362 126.532 121.223 -0.089 0.000 2.439 834 L HA 0.391 4.726 4.340 -0.009 0.000 0.261 834 L C -1.725 175.085 176.870 -0.101 0.000 1.153 834 L CA -1.984 52.771 54.840 -0.141 0.000 0.808 834 L CB 0.865 42.806 42.059 -0.195 0.000 1.126 834 L HN 0.406 nan 8.230 nan 0.000 0.460 835 P HA 0.028 nan 4.420 nan 0.000 0.268 835 P C -0.585 176.685 177.300 -0.050 0.000 1.208 835 P CA -0.151 62.911 63.100 -0.063 0.000 0.777 835 P CB 0.527 32.193 31.700 -0.056 0.000 0.875 836 A N 0.000 122.801 122.820 -0.032 0.000 2.254 836 A HA 0.000 4.315 4.320 -0.009 0.000 0.244 836 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 836 A CB 0.000 18.995 19.000 -0.009 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486